A0A3Q0KMH6_SCHMA Loading...

Nalp (Nacht, leucine rich repeat and pyrin domain containing)-related

AlphaFold DB , UniProt , Accession A0A3Q0KMH6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 460 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41	Very low	59.6	Low	236 Å²	236	126.1 Å²	126.1	100%	1.163	68%	0.682	S	S	*	*				0	147.9	0	-68.9	176.7	172	0	0	108.5
2	P	46.7	Very low	62.3	Low	117 Å²	117	124.8 Å²	124.8	76%	0.76	68%	0.681	S	S	*	*			trans	-63.5	150.5	160.3	30.8	-34.2	0	0	0	109.5	K4	P2-K4 PolarHBondContact O-N 3.43Å
3	P	49.7	Very low	64.6	Low	119 Å²	119	118.7 Å²	118.7	77%	0.773	65%	0.647	S	S	*	*			trans	-65.8	134.1	176.3	27.6	-33.7	0	0	0	110.1	K5	P3-K5 PolarHBondContact O-N 2.69Å
4	K	54.4	Low	66.6	Low	210 Å²	210	110.6 Å²	110.6	91%	0.913	60%	0.604	S	S	*	*			trans	-62.4	109.6	166.3	-74.1	-177.9	176.3	178.9	0	107.8	P2 S6	P2-K4 PolarHBondContact O-N 3.43Å; K4-S6 PolarHBondContact O-N 3.04Å
5	K	53.1	Low	68.4	Low	145 Å²	145	111.4 Å²	111.4	63%	0.63	59%	0.594	S	S	*	*			trans	-54.3	129.7	168.7	-69.8	178.6	179.9	172.8	0	108.1	P3	P3-K5 PolarHBondContact O-N 2.69Å
6	S	53.3	Low	70	Confident	72 Å²	72	108.2 Å²	108.2	50%	0.503	57%	0.574	S	S	.	*			trans	-64.4	147.2	171.1	51.3	0	0	0	0	109.9	K4 Q8 N9	K4-S6 PolarHBondContact O-N 3.04Å; S6-Q8 PolarHBondContact O-N 3.37Å; S6-N9 PolarHBondContact O-N 2.76Å
7	A	58.2	Low	71.4	Confident	91 Å²	91	101.8 Å²	101.8	75%	0.752	54%	0.54	S	S	*	.	G	3₁₀ helix	trans	-62.8	-10.7	-172	0	0	0	0	0	114.8
8	Q	58.5	Low	72.7	Confident	178 Å²	178	101.6 Å²	101.6	83%	0.832	53%	0.534	S	S	*	.	G	3₁₀ helix	trans	-74.2	-24.2	179.4	-70.5	167.5	-32.4	0	0	113.4	S6	S6-Q8 PolarHBondContact O-N 3.37Å
9	N	69.1	Low	73.9	Confident	128 Å²	128	101.6 Å²	101.6	68%	0.684	53%	0.531	S	S	*	.	G	3₁₀ helix	trans	-105.6	47.1	-179.3	-76	-13.6	0	0	0	112.3	S6	S6-N9 PolarHBondContact O-N 2.76Å
10	E	82	Confident	74.9	Confident	46 Å²	46	96.6 Å²	96.6	22%	0.215	50%	0.504	C	S	.	.			trans	-90.7	120	177.9	-163.7	176.9	171.3	0	0	113.2	A14 R15 K18	E10-A14 HydrophobicContact CG-CB 3.66Å; E10-R15 HydrophobicContact CB-CG 4.38Å; E10-R15 HydrophobicContact CG-CG 3.84Å; E10-R15 PolarHBondContact O-NE 2.61Å; E10-R15 VanDerWaalsContact O-NE 3.1Å; E10-R15 PolarHBondContact O-NH2 3.49Å; E10-R15 PolarHBondContact OE1-N 3.11Å; E10-K18 VanDerWaalsContact OE1-CD 3.24Å; E10-K18 WeakPolarHBondContact OE1-CD 3.46Å; E10-K18 WeakPolarHBondContact OE1-CE 3.37Å; E10-K18 IonicContact OE1-NZ 3.38Å; E10-K18 PolarHBondContact OE1-NZ 3.07Å; E10-K18 IonicContact OE2-NZ 3.21Å; E10-K18 PolarHBondContact OE2-NZ 3.37Å
11	T	90.2	Very high	75.9	Confident	45 Å²	45	92.7 Å²	92.7	28%	0.276	48%	0.484	S	S	.	.			trans	-65.3	161	-179	65	0	0	0	0	112.5	L13 A14 R15 D50	T11-L13 PolarHBondContact O-N 3.42Å; T11-A14 PolarHBondContact O-N 2.76Å; T11-A14 WeakPolarHBondContact OG1-CB 3.5Å; T11-A14 PolarHBondContact OG1-N 2.79Å; T11-A14 VanDerWaalsContact OG1-N 3.11Å; T11-R15 PolarHBondContact O-N 3.38Å; T11-R15 VanDerWaalsContact O-N 3.13Å; T11-R15 PolarHBondContact O-NE 3.33Å; T11-D50 WeakPolarHBondContact CB-OD1 3.49Å; T11-D50 WeakPolarHBondContact CG2-OD2 3.44Å; T11-D50 PolarHBondContact OG1-OD1 3Å
12	V	92.2	Very high	78.5	Confident	110 Å²	110	87.5 Å²	87.5	67%	0.667	46%	0.455	S	S	*	.	H	α-helix	trans	-60.3	-38.4	175.2	-178.6	0	0	0	0	110.5	F16	V12-F16 VanDerWaalsContact O-CB 3.31Å; V12-F16 WeakPolarHBondContact O-CB 3.35Å; V12-F16 PolarHBondContact O-N 3.14Å
13	L	92.1	Very high	80.9	Confident	46 Å²	46	83.2 Å²	83.2	24%	0.241	43%	0.426	C	S	.	.	H	α-helix	trans	-66	-48.8	177.8	178.9	61.3	0	0	0	112.1	T11 R15 F16 M17 P52	T11-L13 PolarHBondContact O-N 3.42Å; L13-R15 VanDerWaalsContact C-N 3.34Å; L13-R15 PolarHBondContact O-N 3.21Å; L13-F16 PolarHBondContact O-N 3.07Å; L13-M17 HydrophobicContact CD1-CG 3.98Å; L13-M17 HydrophobicContact CD1-SD 4.41Å; L13-M17 HydrophobicContact CG-CG 4.38Å; L13-M17 VanDerWaalsContact O-CG 3.31Å; L13-M17 WeakPolarHBondContact O-CG 3.39Å; L13-M17 PolarHBondContact O-N 3.38Å; L13-P52 HydrophobicContact CD1-CB 4.45Å; L13-P52 HydrophobicContact CD2-CB 4.49Å
14	A	92.2	Very high	83.1	Confident	5 Å²	5	77.7 Å²	77.7	4%	0.041	39%	0.389	C	S	.	.	H	α-helix	trans	-58.7	-44.3	178.1	0	0	0	0	0	112	E10 T11 M17 K18 I47	E10-A14 HydrophobicContact CG-CB 3.66Å; T11-A14 PolarHBondContact O-N 2.76Å; T11-A14 WeakPolarHBondContact OG1-CB 3.5Å; T11-A14 PolarHBondContact OG1-N 2.79Å; T11-A14 VanDerWaalsContact OG1-N 3.11Å; A14-M17 PolarHBondContact O-N 3.38Å; A14-K18 WeakPolarHBondContact O-CG 3.29Å; A14-K18 PolarHBondContact O-N 3.26Å; A14-I47 HydrophobicContact CB-CG2 4.24Å
15	R	93.5	Very high	85	Confident	123 Å²	123	70.4 Å²	70.4	46%	0.464	36%	0.359	S	S	.	.	H	α-helix	trans	-61.1	-47.1	174.6	-78.8	178.8	-82.2	134.6	-10.1	112.4	E10 T11 L13 M17 K18 E19	E10-R15 HydrophobicContact CB-CG 4.38Å; E10-R15 HydrophobicContact CG-CG 3.84Å; E10-R15 PolarHBondContact O-NE 2.61Å; E10-R15 VanDerWaalsContact O-NE 3.1Å; E10-R15 PolarHBondContact O-NH2 3.49Å; E10-R15 PolarHBondContact OE1-N 3.11Å; T11-R15 PolarHBondContact O-N 3.38Å; T11-R15 VanDerWaalsContact O-N 3.13Å; T11-R15 PolarHBondContact O-NE 3.33Å; L13-R15 VanDerWaalsContact C-N 3.34Å; L13-R15 PolarHBondContact O-N 3.21Å; R15-M17 PolarHBondContact O-N 3.28Å; R15-K18 WeakPolarHBondContact O-CB 3.49Å; R15-K18 PolarHBondContact O-N 2.77Å; R15-E19 PolarHBondContact O-N 3.39Å
16	F	94.4	Very high	87.1	Confident	60 Å²	60	69 Å²	69	26%	0.263	35%	0.354	S	S	.	.	H	α-helix	trans	-62	-41.2	177.8	-179.3	-85.2	0	0	0	112.3	V12 L13 K18 E19 L20 K119 Y121	V12-F16 VanDerWaalsContact O-CB 3.31Å; V12-F16 WeakPolarHBondContact O-CB 3.35Å; V12-F16 PolarHBondContact O-N 3.14Å; L13-F16 PolarHBondContact O-N 3.07Å; F16-K18 VanDerWaalsContact C-N 3.34Å; F16-K18 PolarHBondContact O-N 3.39Å; F16-E19 WeakPolarHBondContact O-CB 3.43Å; F16-E19 PolarHBondContact O-N 2.94Å; F16-L20 HydrophobicContact CE1-CB 4.49Å; F16-L20 HydrophobicContact CE1-CD1 3.68Å; F16-L20 HydrophobicContact CZ-CD1 4.27Å; F16-L20 WeakPolarHBondContact O-CB 3.33Å; F16-L20 PolarHBondContact O-N 3.31Å; F16-K119 HydrophobicContact CE2-CB 4.41Å; F16-K119 HydrophobicContact CZ-CB 3.93Å; F16-K119 WeakPolarHBondContact CZ-O 3.49Å; F16-Y121 HydrophobicContact CD1-CD2 4.3Å; F16-Y121 HydrophobicContact CD1-CE2 4.4Å; F16-Y121 AromaticContact CE1-CD2 3.4Å; F16-Y121 HydrophobicContact CE1-CD2 3.4Å; F16-Y121 VanDerWaalsContact CE1-CD2 3.4Å; F16-Y121 AromaticContact CE1-CE2 3.92Å; F16-Y121 HydrophobicContact CE1-CE2 3.92Å; F16-Y121 HydrophobicContact CE1-CG 4.21Å; F16-Y121 HydrophobicContact CZ-CD2 4.07Å
17	M	94.2	Very high	89	Confident	0 Å²	0	68.3 Å²	68.3	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-67.1	-32.8	177	-68.2	-56.4	-60.2	0	0	112.4	L13 A14 R15 L21 F43 A46 I47 V53 Y121	L13-M17 HydrophobicContact CD1-CG 3.98Å; L13-M17 HydrophobicContact CD1-SD 4.41Å; L13-M17 HydrophobicContact CG-CG 4.38Å; L13-M17 VanDerWaalsContact O-CG 3.31Å; L13-M17 WeakPolarHBondContact O-CG 3.39Å; L13-M17 PolarHBondContact O-N 3.38Å; A14-M17 PolarHBondContact O-N 3.38Å; R15-M17 PolarHBondContact O-N 3.28Å; M17-L21 WeakPolarHBondContact O-CB 3.27Å; M17-L21 PolarHBondContact O-N 3.03Å; M17-F43 HydrophobicContact CE-CB 4.19Å; M17-F43 HydrophobicContact CE-CD1 3.41Å; M17-F43 VanDerWaalsContact CE-CD1 3.41Å; M17-F43 HydrophobicContact CE-CE1 3.98Å; M17-F43 HydrophobicContact CE-CG 3.93Å; M17-A46 HydrophobicContact CE-CB 4.05Å; M17-A46 HydrophobicContact CG-CB 4.44Å; M17-I47 HydrophobicContact CB-CD1 4.14Å; M17-I47 HydrophobicContact CB-CG1 3.57Å; M17-V53 HydrophobicContact CE-CB 4.41Å; M17-V53 HydrophobicContact CE-CG2 3.75Å; M17-Y121 HydrophobicContact SD-CE2 4.04Å
18	K	94.4	Very high	90.7	Very high	98 Å²	98	64 Å²	64	43%	0.426	31%	0.305	S	S	.	.	H	α-helix	trans	-65.3	-43.7	169.8	-73.2	178.6	-175.3	171.7	0	112.2	E10 A14 R15 F16 L20 L21 K22 I47	E10-K18 VanDerWaalsContact OE1-CD 3.24Å; E10-K18 WeakPolarHBondContact OE1-CD 3.46Å; E10-K18 WeakPolarHBondContact OE1-CE 3.37Å; E10-K18 IonicContact OE1-NZ 3.38Å; E10-K18 PolarHBondContact OE1-NZ 3.07Å; E10-K18 IonicContact OE2-NZ 3.21Å; E10-K18 PolarHBondContact OE2-NZ 3.37Å; A14-K18 WeakPolarHBondContact O-CG 3.29Å; A14-K18 PolarHBondContact O-N 3.26Å; R15-K18 WeakPolarHBondContact O-CB 3.49Å; R15-K18 PolarHBondContact O-N 2.77Å; F16-K18 VanDerWaalsContact C-N 3.34Å; F16-K18 PolarHBondContact O-N 3.39Å; K18-L20 VanDerWaalsContact C-N 3.33Å; K18-L21 PolarHBondContact O-N 3.44Å; K18-K22 WeakPolarHBondContact O-CB 3.46Å; K18-K22 PolarHBondContact O-N 2.9Å; K18-I47 HydrophobicContact CB-CD1 4.42Å; K18-I47 HydrophobicContact CG-CD1 3.59Å; K18-I47 HydrophobicContact CG-CG1 4.2Å; K18-I47 HydrophobicContact CG-CG2 4.43Å
19	E	94.9	Very high	92.4	Very high	102 Å²	102	61.2 Å²	61.2	48%	0.477	30%	0.296	S	S	.	.	H	α-helix	trans	-61.6	-41.3	174.7	-78.4	-173.2	-138.4	0	0	112.5	R15 F16 K22 D23 K119	R15-E19 PolarHBondContact O-N 3.39Å; F16-E19 WeakPolarHBondContact O-CB 3.43Å; F16-E19 PolarHBondContact O-N 2.94Å; E19-K22 PolarHBondContact O-N 2.9Å; E19-D23 WeakPolarHBondContact O-CB 3.41Å; E19-D23 PolarHBondContact O-N 2.89Å; E19-K119 IonicContact OE2-NZ 2.69Å; E19-K119 PolarHBondContact OE2-NZ 3.15Å
20	L	95	Very high	93.6	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-67.4	-43	179.9	-164.8	157.1	0	0	0	110.7	F16 K18 K22 D23 Y24 F43 T115 K119 Y121	F16-L20 HydrophobicContact CE1-CB 4.49Å; F16-L20 HydrophobicContact CE1-CD1 3.68Å; F16-L20 HydrophobicContact CZ-CD1 4.27Å; F16-L20 WeakPolarHBondContact O-CB 3.33Å; F16-L20 PolarHBondContact O-N 3.31Å; K18-L20 VanDerWaalsContact C-N 3.33Å; L20-K22 VanDerWaalsContact C-N 3.33Å; L20-K22 PolarHBondContact O-N 3.24Å; L20-D23 PolarHBondContact O-N 3.01Å; L20-Y24 PolarHBondContact O-N 3.24Å; L20-F43 HydrophobicContact CD2-CD2 4.04Å; L20-F43 HydrophobicContact CD2-CE1 4.2Å; L20-F43 HydrophobicContact CD2-CE2 3.31Å; L20-F43 HydrophobicContact CD2-CZ 3.41Å; L20-F43 VanDerWaalsContact CD2-CZ 3.41Å; L20-T115 HydrophobicContact CD2-CG2 3.71Å; L20-T115 HydrophobicContact CG-CG2 3.72Å; L20-T115 WeakPolarHBondContact O-CG2 3.49Å; L20-K119 HydrophobicContact CD1-CB 4.29Å; L20-K119 HydrophobicContact CG-CB 4.47Å; L20-K119 HydrophobicContact CG-CG 4.44Å; L20-Y121 HydrophobicContact CD1-CD1 4.15Å; L20-Y121 HydrophobicContact CD1-CD2 4.16Å; L20-Y121 HydrophobicContact CD1-CG 3.74Å
21	L	95.1	Very high	94	Very high	16 Å²	16	65 Å²	65	8%	0.084	30%	0.3	C	S	.	.	H	α-helix	trans	-60.1	-42.2	171.6	178.1	59.7	0	0	0	111.8	M17 K18 Y24 E25 K40 F43 R44	M17-L21 WeakPolarHBondContact O-CB 3.27Å; M17-L21 PolarHBondContact O-N 3.03Å; K18-L21 PolarHBondContact O-N 3.44Å; L21-Y24 PolarHBondContact O-N 3.23Å; L21-E25 HydrophobicContact CD1-CG 4.28Å; L21-E25 WeakPolarHBondContact O-CG 3.29Å; L21-E25 PolarHBondContact O-N 3.41Å; L21-K40 HydrophobicContact CD1-CG 4.2Å; L21-F43 HydrophobicContact CB-CB 4.32Å; L21-F43 HydrophobicContact CB-CD2 4.04Å; L21-F43 HydrophobicContact CD1-CD2 4Å; L21-R44 HydrophobicContact CD2-CG 4.35Å
22	K	95.7	Very high	94.1	Very high	126 Å²	126	71.4 Å²	71.4	55%	0.548	32%	0.324	S	S	.	.	H	α-helix	trans	-65.1	-42.9	178.3	-174.3	-178.5	176.4	-175.7	0	112.5	K18 E19 L20 Y24 E25 Q26	K18-K22 WeakPolarHBondContact O-CB 3.46Å; K18-K22 PolarHBondContact O-N 2.9Å; E19-K22 PolarHBondContact O-N 2.9Å; L20-K22 VanDerWaalsContact C-N 3.33Å; L20-K22 PolarHBondContact O-N 3.24Å; K22-Y24 VanDerWaalsContact C-N 3.34Å; K22-E25 PolarHBondContact O-N 3.28Å; K22-Q26 WeakPolarHBondContact O-CB 3.47Å; K22-Q26 VanDerWaalsContact O-CG 3.29Å; K22-Q26 WeakPolarHBondContact O-CG 3.42Å; K22-Q26 PolarHBondContact O-N 3.4Å
23	D	96.1	Very high	94	Very high	28 Å²	28	66.5 Å²	66.5	15%	0.15	30%	0.295	C	S	.	.	H	α-helix	trans	-62	-42	175.9	-173.4	106.2	0	0	0	110.7	E19 L20 Q26 R27 T115	E19-D23 WeakPolarHBondContact O-CB 3.41Å; E19-D23 PolarHBondContact O-N 2.89Å; L20-D23 PolarHBondContact O-N 3.01Å; D23-Q26 PolarHBondContact O-N 3.47Å; D23-R27 WeakPolarHBondContact O-CG 3.31Å; D23-R27 PolarHBondContact O-N 3.35Å; D23-R27 IonicContact OD1-NH2 2.76Å; D23-R27 PolarHBondContact OD1-NH2 3.09Å; D23-R27 IonicContact OD2-CZ 3.74Å; D23-R27 IonicContact OD2-NE 3.46Å; D23-R27 PolarHBondContact OD2-NE 2.95Å; D23-R27 IonicContact OD2-NH2 3.96Å; D23-R27 PolarHBondContact OD2-NH2 3.01Å; D23-T115 HydrophobicContact CB-CG2 3.97Å; D23-T115 WeakPolarHBondContact OD2-CA 3.38Å; D23-T115 VanDerWaalsContact OD2-CB 3.27Å; D23-T115 WeakPolarHBondContact OD2-CB 3.46Å; D23-T115 WeakPolarHBondContact OD2-CG2 3.18Å; D23-T115 PolarHBondContact OD2-OG1 2.98Å
24	Y	96.1	Very high	93.9	Very high	2 Å²	2	66 Å²	66	1%	0.008	29%	0.294	C	S	.	.	H	α-helix	trans	-64.1	-44.2	175.2	176.4	-134.4	0	0	0	112.5	L20 L21 K22 Q26 R27 A28 V35 C36 I39 F43 P111 L112 T115	L20-Y24 PolarHBondContact O-N 3.24Å; L21-Y24 PolarHBondContact O-N 3.23Å; K22-Y24 VanDerWaalsContact C-N 3.34Å; Y24-Q26 VanDerWaalsContact C-N 3.3Å; Y24-Q26 PolarHBondContact O-N 3.45Å; Y24-R27 PolarHBondContact O-N 3.1Å; Y24-A28 WeakPolarHBondContact O-CB 3.45Å; Y24-A28 PolarHBondContact O-N 3.25Å; Y24-V35 HydrophobicContact CD1-CG1 4.07Å; Y24-V35 HydrophobicContact CE1-CG1 3.64Å; Y24-C36 VanDerWaalsContact OH-CB 3.31Å; Y24-C36 WeakPolarHBondContact OH-CB 3.4Å; Y24-C36 PolarHBondContact OH-N 3.13Å; Y24-I39 HydrophobicContact CD1-CG2 4Å; Y24-I39 HydrophobicContact CE1-CB 4.19Å; Y24-I39 HydrophobicContact CE1-CG2 3.68Å; Y24-F43 HydrophobicContact CD1-CE2 4.46Å; Y24-P111 HydrophobicContact CD2-CB 4.14Å; Y24-P111 HydrophobicContact CE2-CB 4.05Å; Y24-L112 HydrophobicContact CD1-CD1 4.37Å; Y24-L112 HydrophobicContact CD2-CB 4.01Å; Y24-L112 HydrophobicContact CD2-CD1 4.2Å; Y24-L112 HydrophobicContact CE1-CD1 4.46Å; Y24-L112 HydrophobicContact CE2-CB 3.66Å; Y24-L112 HydrophobicContact CE2-CD1 4.32Å; Y24-L112 HydrophobicContact CG-CD1 4.26Å; Y24-T115 VanDerWaalsContact CA-OG1 3.29Å; Y24-T115 WeakPolarHBondContact CA-OG1 3.44Å; Y24-T115 PolarHBondContact N-OG1 2.87Å
25	E	95.2	Very high	93.8	Very high	58 Å²	58	67 Å²	67	27%	0.271	30%	0.299	S	S	.	.	H	α-helix	trans	-61.7	-37.3	174.2	-71.3	-178.1	151.6	0	0	112	L21 K22 N29 V35 K40	L21-E25 HydrophobicContact CD1-CG 4.28Å; L21-E25 WeakPolarHBondContact O-CG 3.29Å; L21-E25 PolarHBondContact O-N 3.41Å; K22-E25 PolarHBondContact O-N 3.28Å; E25-N29 VanDerWaalsContact O-CG 3.28Å; E25-N29 PolarHBondContact O-N 3.24Å; E25-N29 PolarHBondContact O-ND2 3.39Å; E25-V35 HydrophobicContact CB-CG2 4.49Å; E25-V35 HydrophobicContact CG-CG1 4.25Å; E25-V35 HydrophobicContact CG-CG2 4.13Å; E25-K40 WeakPolarHBondContact OE1-CE 3.29Å; E25-K40 IonicContact OE1-NZ 2.77Å; E25-K40 PolarHBondContact OE1-NZ 3.47Å
26	Q	95.9	Very high	93.7	Very high	114 Å²	114	61.2 Å²	61.2	53%	0.533	28%	0.277	S	S	.	.	H	α-helix	trans	-68.9	-43.1	176	-73.6	177.4	-53.3	0	0	112.5	K22 D23 Y24 N29 Y30	K22-Q26 WeakPolarHBondContact O-CB 3.47Å; K22-Q26 VanDerWaalsContact O-CG 3.29Å; K22-Q26 WeakPolarHBondContact O-CG 3.42Å; K22-Q26 PolarHBondContact O-N 3.4Å; D23-Q26 PolarHBondContact O-N 3.47Å; Y24-Q26 VanDerWaalsContact C-N 3.3Å; Y24-Q26 PolarHBondContact O-N 3.45Å; Q26-N29 PolarHBondContact O-N 2.96Å; Q26-Y30 PolarHBondContact O-N 3.46Å; Q26-Y30 VanDerWaalsContact O-N 3.11Å
27	R	95.1	Very high	93.6	Very high	59 Å²	59	63.1 Å²	63.1	22%	0.223	29%	0.29	C	S	.	.	H	α-helix	trans	-68	-38.1	175.8	-68	-175.2	-161	-86.9	-20.1	112.5	D23 Y24 N29 Y30 Y31 P111 E114 T115	D23-R27 WeakPolarHBondContact O-CG 3.31Å; D23-R27 PolarHBondContact O-N 3.35Å; D23-R27 IonicContact OD1-NH2 2.76Å; D23-R27 PolarHBondContact OD1-NH2 3.09Å; D23-R27 IonicContact OD2-CZ 3.74Å; D23-R27 IonicContact OD2-NE 3.46Å; D23-R27 PolarHBondContact OD2-NE 2.95Å; D23-R27 IonicContact OD2-NH2 3.96Å; D23-R27 PolarHBondContact OD2-NH2 3.01Å; Y24-R27 PolarHBondContact O-N 3.1Å; R27-N29 VanDerWaalsContact C-N 3.3Å; R27-N29 PolarHBondContact O-N 3.41Å; R27-Y30 WeakPolarHBondContact O-CB 3.4Å; R27-Y30 PolarHBondContact O-N 3.24Å; R27-Y30 VanDerWaalsContact O-N 3.14Å; R27-Y31 HydrophobicContact CB-CD2 4.45Å; R27-Y31 WeakPolarHBondContact O-CD2 3.34Å; R27-Y31 PolarHBondContact O-N 3.27Å; R27-P111 HydrophobicContact CB-CB 3.69Å; R27-P111 WeakPolarHBondContact CD-O 3.46Å; R27-E114 IonicContact CZ-OE2 2.73Å; R27-E114 IonicContact NE-OE2 2.77Å; R27-E114 IonicContact NH1-OE2 3.45Å; R27-E114 PolarHBondContact NH1-OE2 3.04Å; R27-T115 WeakPolarHBondContact CD-OG1 3.43Å; R27-T115 PolarHBondContact NE-OG1 3.25Å
28	A	93.5	Very high	93.6	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-59.3	-43.6	176.9	0	0	0	0	0	111.4	Y24 Y31 K32 T33 V35	Y24-A28 WeakPolarHBondContact O-CB 3.45Å; Y24-A28 PolarHBondContact O-N 3.25Å; A28-Y31 CarbonylContact O-C 3.55Å; A28-Y31 PolarHBondContact O-N 2.74Å; A28-K32 PolarHBondContact O-N 3.31Å; A28-T33 CarbonylContact C-O 3.54Å; A28-T33 HydrophobicContact CB-CG2 4.09Å; A28-T33 VanDerWaalsContact O-CG2 3.28Å; A28-T33 WeakPolarHBondContact O-CG2 3.44Å; A28-T33 PolarHBondContact O-N 2.75Å; A28-V35 HydrophobicContact CB-CG2 3.51Å
29	N	93.3	Very high	93.5	Very high	120 Å²	120	59.6 Å²	59.6	64%	0.642	28%	0.278	S	S	*	.	H	α-helix	trans	-62.2	-42.3	173.3	-67.6	-22.2	0	0	0	112.5	E25 Q26 R27 K32	E25-N29 VanDerWaalsContact O-CG 3.28Å; E25-N29 PolarHBondContact O-N 3.24Å; E25-N29 PolarHBondContact O-ND2 3.39Å; Q26-N29 PolarHBondContact O-N 2.96Å; R27-N29 VanDerWaalsContact C-N 3.3Å; R27-N29 PolarHBondContact O-N 3.41Å; N29-K32 PolarHBondContact O-N 3.13Å; N29-K32 VanDerWaalsContact O-N 3.16Å
30	Y	93.6	Very high	93.5	Very high	182 Å²	182	56.8 Å²	56.8	71%	0.714	26%	0.264	S	S	*	.	H	α-helix	trans	-61.1	-46	176.7	175.5	-97.6	0	0	0	112.3	Q26 R27 K32	Q26-Y30 PolarHBondContact O-N 3.46Å; Q26-Y30 VanDerWaalsContact O-N 3.11Å; R27-Y30 WeakPolarHBondContact O-CB 3.4Å; R27-Y30 PolarHBondContact O-N 3.24Å; R27-Y30 VanDerWaalsContact O-N 3.14Å; Y30-K32 PolarHBondContact O-N 2.89Å
31	Y	91.8	Very high	93.4	Very high	72 Å²	72	62 Å²	62	28%	0.282	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	7.6	176	-76.3	-72.2	0	0	0	113.9	R27 A28 T33 L110 P111 E114	R27-Y31 HydrophobicContact CB-CD2 4.45Å; R27-Y31 WeakPolarHBondContact O-CD2 3.34Å; R27-Y31 PolarHBondContact O-N 3.27Å; A28-Y31 CarbonylContact O-C 3.55Å; A28-Y31 PolarHBondContact O-N 2.74Å; Y31-T33 PolarHBondContact O-N 2.77Å; Y31-L110 HydrophobicContact CE1-CD2 3.76Å; Y31-P111 HydrophobicContact CD2-CB 4.12Å; Y31-P111 HydrophobicContact CD2-CG 3.74Å; Y31-P111 HydrophobicContact CG-CG 4.08Å; Y31-E114 PolarHBondContact OH-OE1 2.69Å
32	K	91	Very high	93.3	Very high	178 Å²	178	63 Å²	63	77%	0.774	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.7	32.5	178.8	-56.5	-179.3	-179	177.5	0	114.5	A28 N29 Y30 P105	A28-K32 PolarHBondContact O-N 3.31Å; N29-K32 PolarHBondContact O-N 3.13Å; N29-K32 VanDerWaalsContact O-N 3.16Å; Y30-K32 PolarHBondContact O-N 2.89Å; K32-P105 WeakPolarHBondContact O-CB 3.29Å; K32-P105 WeakPolarHBondContact O-CG 3.35Å
33	T	90.6	Very high	93.2	Very high	8 Å²	8	57 Å²	57	5%	0.049	27%	0.273	C	S	.	.			trans	-110.7	155.4	-177.9	166.2	0	0	0	0	110.9	A28 Y31 L106 V107 K108 P111	A28-T33 CarbonylContact C-O 3.54Å; A28-T33 HydrophobicContact CB-CG2 4.09Å; A28-T33 VanDerWaalsContact O-CG2 3.28Å; A28-T33 WeakPolarHBondContact O-CG2 3.44Å; A28-T33 PolarHBondContact O-N 2.75Å; Y31-T33 PolarHBondContact O-N 2.77Å; T33-L106 PolarHBondContact OG1-O 3.19Å; T33-V107 WeakPolarHBondContact OG1-CA 3.27Å; T33-K108 HydrophobicContact CG2-CB 4.23Å; T33-K108 PolarHBondContact OG1-N 3.42Å; T33-P111 HydrophobicContact CG2-CG 3.72Å
34	T	89.4	Confident	93.1	Very high	36 Å²	36	61.6 Å²	61.6	22%	0.221	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-68.3	161.8	165.4	50.3	0	0	0	0	112.1	K104 P105 V107	T34-K104 HydrophobicContact CG2-CB 3.93Å; T34-K104 HydrophobicContact CG2-CD 4.38Å; T34-P105 WeakPolarHBondContact CB-O 3.49Å; T34-P105 HydrophobicContact CG2-CG 4.23Å; T34-P105 WeakPolarHBondContact CG2-O 3.4Å; T34-P105 PolarHBondContact N-O 3.2Å; T34-P105 PolarHBondContact OG1-O 3.16Å; T34-V107 VanDerWaalsContact OG1-CG2 3.31Å; T34-V107 WeakPolarHBondContact OG1-CG2 3.36Å
35	V	91	Very high	93	Very high	26 Å²	26	66.8 Å²	66.8	16%	0.158	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-94.1	122.9	176.5	174.9	0	0	0	0	108.6	Y24 E25 A28 N37 K40	Y24-V35 HydrophobicContact CD1-CG1 4.07Å; Y24-V35 HydrophobicContact CE1-CG1 3.64Å; E25-V35 HydrophobicContact CB-CG2 4.49Å; E25-V35 HydrophobicContact CG-CG1 4.25Å; E25-V35 HydrophobicContact CG-CG2 4.13Å; A28-V35 HydrophobicContact CB-CG2 3.51Å; V35-N37 PolarHBondContact O-N 2.86Å; V35-K40 HydrophobicContact CG1-CB 4.49Å; V35-K40 HydrophobicContact CG1-CD 4.2Å
36	C	92.4	Very high	92.9	Very high	1 Å²	1	64.3 Å²	64.3	1%	0.007	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-60.8	123.4	-176.8	-169.4	0	0	0	0	111.9	Y24 S38 I39 K40 V107	Y24-C36 VanDerWaalsContact OH-CB 3.31Å; Y24-C36 WeakPolarHBondContact OH-CB 3.4Å; Y24-C36 PolarHBondContact OH-N 3.13Å; C36-S38 PolarHBondContact O-N 3.45Å; C36-S38 PolarHBondContact SG-OG 3.27Å; C36-I39 HydrophobicContact CB-CB 4.2Å; C36-I39 HydrophobicContact CB-CG1 4.03Å; C36-I39 PolarHBondContact O-N 2.89Å; C36-K40 WeakPolarHBondContact O-CB 3.48Å; C36-K40 PolarHBondContact O-N 3.14Å; C36-V107 HydrophobicContact CB-CG1 3.85Å; C36-V107 HydrophobicContact CB-CG2 4.38Å
37	N	91.6	Very high	92.7	Very high	100 Å²	100	60.6 Å²	60.6	54%	0.535	28%	0.284	S	S	.	.	H	α-helix	trans	-67.9	-36.9	-174.3	-77.9	-55.5	0	0	0	112.8	V35 I39 K40 L41	V35-N37 PolarHBondContact O-N 2.86Å; N37-I39 PolarHBondContact O-N 3.42Å; N37-K40 PolarHBondContact O-N 3.41Å; N37-L41 WeakPolarHBondContact O-CB 3.47Å; N37-L41 VanDerWaalsContact O-CG 3.31Å; N37-L41 WeakPolarHBondContact O-CG 3.48Å; N37-L41 PolarHBondContact O-N 3.25Å
38	S	93.2	Very high	92.6	Very high	23 Å²	23	65.1 Å²	65.1	16%	0.161	31%	0.307	C	S	.	.	H	α-helix	trans	-60.2	-45.1	177.2	62.3	0	0	0	0	111.7	C36 L41 C42 L57 D59	C36-S38 PolarHBondContact O-N 3.45Å; C36-S38 PolarHBondContact SG-OG 3.27Å; S38-L41 PolarHBondContact O-N 2.88Å; S38-C42 VanDerWaalsContact O-CB 3.31Å; S38-C42 WeakPolarHBondContact O-CB 3.35Å; S38-C42 PolarHBondContact O-N 3.25Å; S38-L57 WeakPolarHBondContact CB-O 3.47Å; S38-L57 PolarHBondContact OG-O 2.89Å; S38-D59 PolarHBondContact OG-N 3.42Å
39	I	93.7	Very high	92.5	Very high	0 Å²	0	70.9 Å²	70.9	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-65	-44.3	176.1	-62.4	-66.3	0	0	0	111	Y24 C36 N37 L41 C42 F43 L56 L57 V58 L112	Y24-I39 HydrophobicContact CD1-CG2 4Å; Y24-I39 HydrophobicContact CE1-CB 4.19Å; Y24-I39 HydrophobicContact CE1-CG2 3.68Å; C36-I39 HydrophobicContact CB-CB 4.2Å; C36-I39 HydrophobicContact CB-CG1 4.03Å; C36-I39 PolarHBondContact O-N 2.89Å; N37-I39 PolarHBondContact O-N 3.42Å; I39-L41 VanDerWaalsContact C-N 3.32Å; I39-L41 PolarHBondContact O-N 3.27Å; I39-C42 WeakPolarHBondContact O-CB 3.26Å; I39-C42 PolarHBondContact O-N 2.95Å; I39-C42 VanDerWaalsContact O-N 3.15Å; I39-F43 HydrophobicContact CG2-CD2 3.94Å; I39-F43 HydrophobicContact CG2-CE1 4.26Å; I39-F43 HydrophobicContact CG2-CE2 3.46Å; I39-F43 VanDerWaalsContact CG2-CE2 3.46Å; I39-F43 HydrophobicContact CG2-CZ 3.66Å; I39-F43 PolarHBondContact O-N 3.38Å; I39-L56 HydrophobicContact CD1-CB 4.28Å; I39-L56 HydrophobicContact CD1-CD2 4.07Å; I39-L57 WeakPolarHBondContact CD1-O 2.98Å; I39-V58 HydrophobicContact CD1-CG2 3.88Å; I39-V58 HydrophobicContact CG1-CG2 4Å; I39-L112 HydrophobicContact CD1-CD2 3.76Å; I39-L112 HydrophobicContact CG1-CD2 3.9Å; I39-L112 HydrophobicContact CG2-CD1 3.9Å; I39-L112 HydrophobicContact CG2-CD2 4.45Å
40	K	93.2	Very high	92.4	Very high	44 Å²	44	68 Å²	68	19%	0.191	32%	0.319	C	S	.	.	H	α-helix	trans	-60.4	-40.4	177.3	-169.9	166.5	-161.9	152.8	0	112.4	L21 E25 V35 C36 N37 R44	L21-K40 HydrophobicContact CD1-CG 4.2Å; E25-K40 WeakPolarHBondContact OE1-CE 3.29Å; E25-K40 IonicContact OE1-NZ 2.77Å; E25-K40 PolarHBondContact OE1-NZ 3.47Å; V35-K40 HydrophobicContact CG1-CB 4.49Å; V35-K40 HydrophobicContact CG1-CD 4.2Å; C36-K40 WeakPolarHBondContact O-CB 3.48Å; C36-K40 PolarHBondContact O-N 3.14Å; N37-K40 PolarHBondContact O-N 3.41Å; K40-R44 WeakPolarHBondContact O-CB 3.3Å; K40-R44 WeakPolarHBondContact O-CD 3.38Å; K40-R44 VanDerWaalsContact O-CG 3.22Å; K40-R44 WeakPolarHBondContact O-CG 3.48Å; K40-R44 PolarHBondContact O-N 3.11Å
41	L	93.3	Very high	92.3	Very high	110 Å²	110	64.4 Å²	64.4	58%	0.576	31%	0.309	S	S	*	.	H	α-helix	trans	-70.1	-39.6	173.4	-70.4	169.8	0	0	0	111.8	N37 S38 I39 R44 K45	N37-L41 WeakPolarHBondContact O-CB 3.47Å; N37-L41 VanDerWaalsContact O-CG 3.31Å; N37-L41 WeakPolarHBondContact O-CG 3.48Å; N37-L41 PolarHBondContact O-N 3.25Å; S38-L41 PolarHBondContact O-N 2.88Å; I39-L41 VanDerWaalsContact C-N 3.32Å; I39-L41 PolarHBondContact O-N 3.27Å; L41-R44 PolarHBondContact O-N 3.04Å; L41-K45 VanDerWaalsContact O-CB 3.3Å; L41-K45 WeakPolarHBondContact O-CB 3.34Å; L41-K45 PolarHBondContact O-N 3.16Å
42	C	93.8	Very high	92.3	Very high	36 Å²	36	62.9 Å²	62.9	24%	0.243	31%	0.307	C	S	.	.	H	α-helix	trans	-59.3	-50.8	176.6	-171.1	0	0	0	0	111.9	S38 I39 K45 A46 V53	S38-C42 VanDerWaalsContact O-CB 3.31Å; S38-C42 WeakPolarHBondContact O-CB 3.35Å; S38-C42 PolarHBondContact O-N 3.25Å; I39-C42 WeakPolarHBondContact O-CB 3.26Å; I39-C42 PolarHBondContact O-N 2.95Å; I39-C42 VanDerWaalsContact O-N 3.15Å; C42-K45 PolarHBondContact O-N 3.32Å; C42-A46 WeakPolarHBondContact O-CB 3.26Å; C42-A46 PolarHBondContact O-N 3.31Å; C42-V53 VanDerWaalsContact SG-CG1 3.53Å
43	F	93.6	Very high	92.5	Very high	1 Å²	1	54.8 Å²	54.8	0%	0.004	27%	0.273	C	S	.	.	H	α-helix	trans	-66.7	-38.6	178.8	-63.7	-16.1	0	0	0	112.4	M17 L20 L21 Y24 I39 A46 I47 V53 L56 L112	M17-F43 HydrophobicContact CE-CB 4.19Å; M17-F43 HydrophobicContact CE-CD1 3.41Å; M17-F43 VanDerWaalsContact CE-CD1 3.41Å; M17-F43 HydrophobicContact CE-CE1 3.98Å; M17-F43 HydrophobicContact CE-CG 3.93Å; L20-F43 HydrophobicContact CD2-CD2 4.04Å; L20-F43 HydrophobicContact CD2-CE1 4.2Å; L20-F43 HydrophobicContact CD2-CE2 3.31Å; L20-F43 HydrophobicContact CD2-CZ 3.41Å; L20-F43 VanDerWaalsContact CD2-CZ 3.41Å; L21-F43 HydrophobicContact CB-CB 4.32Å; L21-F43 HydrophobicContact CB-CD2 4.04Å; L21-F43 HydrophobicContact CD1-CD2 4Å; Y24-F43 HydrophobicContact CD1-CE2 4.46Å; I39-F43 HydrophobicContact CG2-CD2 3.94Å; I39-F43 HydrophobicContact CG2-CE1 4.26Å; I39-F43 HydrophobicContact CG2-CE2 3.46Å; I39-F43 VanDerWaalsContact CG2-CE2 3.46Å; I39-F43 HydrophobicContact CG2-CZ 3.66Å; I39-F43 PolarHBondContact O-N 3.38Å; F43-A46 WeakPolarHBondContact O-CB 3.31Å; F43-A46 PolarHBondContact O-N 3.15Å; F43-I47 WeakPolarHBondContact O-CD1 3.37Å; F43-I47 VanDerWaalsContact O-CG1 3.27Å; F43-I47 WeakPolarHBondContact O-CG1 3.38Å; F43-I47 PolarHBondContact O-N 3.48Å; F43-I47 VanDerWaalsContact O-N 3.09Å; F43-V53 HydrophobicContact CD1-CG2 4.12Å; F43-V53 HydrophobicContact CE1-CG2 4.5Å; F43-L56 HydrophobicContact CE1-CD2 3.76Å; F43-L56 HydrophobicContact CZ-CD2 4.11Å; F43-L112 HydrophobicContact CE2-CD1 4.27Å; F43-L112 HydrophobicContact CZ-CD1 4.06Å
44	R	93.8	Very high	92.6	Very high	124 Å²	124	56.6 Å²	56.6	47%	0.468	28%	0.284	S	S	.	.	H	α-helix	trans	-60.5	-46.4	172.6	-76.9	171.2	173.5	-173.7	-5.5	112	L21 K40 L41 A46 I47 E48	L21-R44 HydrophobicContact CD2-CG 4.35Å; K40-R44 WeakPolarHBondContact O-CB 3.3Å; K40-R44 WeakPolarHBondContact O-CD 3.38Å; K40-R44 VanDerWaalsContact O-CG 3.22Å; K40-R44 WeakPolarHBondContact O-CG 3.48Å; K40-R44 PolarHBondContact O-N 3.11Å; L41-R44 PolarHBondContact O-N 3.04Å; R44-A46 VanDerWaalsContact C-N 3.32Å; R44-A46 PolarHBondContact O-N 3.06Å; R44-I47 WeakPolarHBondContact O-CB 3.48Å; R44-I47 PolarHBondContact O-N 3.06Å; R44-I47 VanDerWaalsContact O-N 3.15Å; R44-E48 PolarHBondContact O-N 3.34Å
45	K	93.7	Very high	92.9	Very high	111 Å²	111	59.6 Å²	59.6	48%	0.483	29%	0.291	S	S	.	.	H	α-helix	trans	-61.4	-40.2	176.9	-173.2	-178.5	174	-165.4	0	112	L41 C42 I47 E48 E49	L41-K45 VanDerWaalsContact O-CB 3.3Å; L41-K45 WeakPolarHBondContact O-CB 3.34Å; L41-K45 PolarHBondContact O-N 3.16Å; C42-K45 PolarHBondContact O-N 3.32Å; K45-I47 VanDerWaalsContact C-N 3.31Å; K45-I47 PolarHBondContact O-N 3.37Å; K45-E48 PolarHBondContact O-N 3.15Å; K45-E49 WeakPolarHBondContact CE-OE1 3.42Å; K45-E49 WeakPolarHBondContact CE-OE2 3.47Å; K45-E49 HydrophobicContact CG-CG 4.29Å; K45-E49 IonicContact NZ-OE1 2.67Å; K45-E49 PolarHBondContact NZ-OE1 3.29Å; K45-E49 IonicContact NZ-OE2 3.7Å; K45-E49 WeakPolarHBondContact O-CB 3.07Å; K45-E49 PolarHBondContact O-N 3.25Å
46	A	92.6	Very high	93	Very high	6 Å²	6	58.5 Å²	58.5	5%	0.05	29%	0.285	C	S	.	.	H	α-helix	trans	-61.8	-35.6	174.9	0	0	0	0	0	113.3	M17 C42 F43 R44 D50 H51 V53	M17-A46 HydrophobicContact CE-CB 4.05Å; M17-A46 HydrophobicContact CG-CB 4.44Å; C42-A46 WeakPolarHBondContact O-CB 3.26Å; C42-A46 PolarHBondContact O-N 3.31Å; F43-A46 WeakPolarHBondContact O-CB 3.31Å; F43-A46 PolarHBondContact O-N 3.15Å; R44-A46 VanDerWaalsContact C-N 3.32Å; R44-A46 PolarHBondContact O-N 3.06Å; A46-D50 WeakPolarHBondContact O-CA 3.47Å; A46-D50 PolarHBondContact O-N 3.06Å; A46-H51 VanDerWaalsContact CB-O 3.26Å; A46-H51 WeakPolarHBondContact CB-O 3.43Å; A46-H51 PolarHBondContact O-N 2.89Å; A46-V53 HydrophobicContact CB-CG2 3.56Å
47	I	93	Very high	93.1	Very high	35 Å²	35	60.6 Å²	60.6	18%	0.179	30%	0.295	C	S	.	.	H	α-helix	trans	-70	-38.3	174.1	-65.5	156.7	0	0	0	111.3	A14 M17 K18 F43 R44 K45	A14-I47 HydrophobicContact CB-CG2 4.24Å; M17-I47 HydrophobicContact CB-CD1 4.14Å; M17-I47 HydrophobicContact CB-CG1 3.57Å; K18-I47 HydrophobicContact CB-CD1 4.42Å; K18-I47 HydrophobicContact CG-CD1 3.59Å; K18-I47 HydrophobicContact CG-CG1 4.2Å; K18-I47 HydrophobicContact CG-CG2 4.43Å; F43-I47 WeakPolarHBondContact O-CD1 3.37Å; F43-I47 VanDerWaalsContact O-CG1 3.27Å; F43-I47 WeakPolarHBondContact O-CG1 3.38Å; F43-I47 PolarHBondContact O-N 3.48Å; F43-I47 VanDerWaalsContact O-N 3.09Å; R44-I47 WeakPolarHBondContact O-CB 3.48Å; R44-I47 PolarHBondContact O-N 3.06Å; R44-I47 VanDerWaalsContact O-N 3.15Å; K45-I47 VanDerWaalsContact C-N 3.31Å; K45-I47 PolarHBondContact O-N 3.37Å
48	E	92.2	Very high	93.2	Very high	154 Å²	154	56 Å²	56	72%	0.72	27%	0.271	S	S	*	.	H	α-helix	trans	-74	-44.3	179.5	-71.7	175	-162.4	0	0	113.1	R44 K45	R44-E48 PolarHBondContact O-N 3.34Å; K45-E48 PolarHBondContact O-N 3.15Å
49	E	92.5	Very high	93.2	Very high	122 Å²	122	56.4 Å²	56.4	57%	0.57	27%	0.271	S	S	*	.	H	α-helix	trans	-84.6	-9.6	-180	-66.9	-172.2	167.6	0	0	113.6	K45 H51	K45-E49 WeakPolarHBondContact CE-OE1 3.42Å; K45-E49 WeakPolarHBondContact CE-OE2 3.47Å; K45-E49 HydrophobicContact CG-CG 4.29Å; K45-E49 IonicContact NZ-OE1 2.67Å; K45-E49 PolarHBondContact NZ-OE1 3.29Å; K45-E49 IonicContact NZ-OE2 3.7Å; K45-E49 WeakPolarHBondContact O-CB 3.07Å; K45-E49 PolarHBondContact O-N 3.25Å; E49-H51 HydrophobicContact CB-CB 4.45Å
50	D	90.3	Very high	92.8	Very high	58 Å²	58	56.8 Å²	56.8	31%	0.31	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	56	47.6	-176.9	-165.6	30.1	0	0	0	112.5	T11 A46	T11-D50 WeakPolarHBondContact CB-OD1 3.49Å; T11-D50 WeakPolarHBondContact CG2-OD2 3.44Å; T11-D50 PolarHBondContact OG1-OD1 3Å; A46-D50 WeakPolarHBondContact O-CA 3.47Å; A46-D50 PolarHBondContact O-N 3.06Å
51	H	92	Very high	92.4	Very high	108 Å²	108	61.6 Å²	61.6	50%	0.5	30%	0.297	S	S	.	.			trans	-133.8	135.8	-172.9	-166.3	77.4	0	0	0	111.5	A46 E49	A46-H51 VanDerWaalsContact CB-O 3.26Å; A46-H51 WeakPolarHBondContact CB-O 3.43Å; A46-H51 PolarHBondContact O-N 2.89Å; E49-H51 HydrophobicContact CB-CB 4.45Å
52	P	92	Very high	91.5	Very high	39 Å²	39	58.8 Å²	58.8	25%	0.253	28%	0.282	S	S	.	.			trans	-70.3	148.7	-179	29.2	-35.5	0	0	0	112	L13 T54 Y121 T123	L13-P52 HydrophobicContact CD1-CB 4.45Å; L13-P52 HydrophobicContact CD2-CB 4.49Å; P52-T54 PolarHBondContact O-N 3.36Å; P52-Y121 WeakPolarHBondContact CA-OH 3.26Å; P52-Y121 WeakPolarHBondContact CB-OH 3.5Å; P52-T123 HydrophobicContact CB-CG2 3.8Å; P52-T123 HydrophobicContact CG-CG2 4.18Å
53	V	93.7	Very high	90.3	Very high	9 Å²	9	62.7 Å²	62.7	6%	0.055	29%	0.292	C	S	.	.			trans	-84	100.5	176.7	178.2	0	0	0	0	109.7	M17 C42 F43 A46 R55 L56 Y121	M17-V53 HydrophobicContact CE-CB 4.41Å; M17-V53 HydrophobicContact CE-CG2 3.75Å; C42-V53 VanDerWaalsContact SG-CG1 3.53Å; F43-V53 HydrophobicContact CD1-CG2 4.12Å; F43-V53 HydrophobicContact CE1-CG2 4.5Å; A46-V53 HydrophobicContact CB-CG2 3.56Å; V53-R55 WeakPolarHBondContact CG1-O 3.31Å; V53-L56 HydrophobicContact CG1-CD2 3.74Å; V53-L56 HydrophobicContact CG1-CG 4.37Å; V53-Y121 HydrophobicContact CB-CE1 4.26Å; V53-Y121 PolarHBondContact N-OH 3.26Å; V53-Y121 WeakPolarHBondContact O-CE1 3.22Å
54	T	94.4	Very high	89	Confident	45 Å²	45	69.2 Å²	69.2	28%	0.276	32%	0.32	S	S	.	.			trans	-82.7	-24.7	170.1	54.3	0	0	0	0	112.8	P52 T123 Q125 E126	P52-T54 PolarHBondContact O-N 3.36Å; T54-T123 HydrophobicContact CG2-CG2 4.36Å; T54-Q125 PolarHBondContact O-N 2.79Å; T54-E126 PolarHBondContact O-N 3.42Å
55	R	95	Very high	87.4	Confident	99 Å²	99	69.3 Å²	69.3	37%	0.374	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	117.1	-178.3	174	-172.6	179.5	113.4	-3.5	111.1	V53 E126 I128	V53-R55 WeakPolarHBondContact CG1-O 3.31Å; R55-E126 WeakPolarHBondContact CA-O 3.32Å; R55-E126 HydrophobicContact CB-CB 4.02Å; R55-E126 HydrophobicContact CB-CG 4.41Å; R55-E126 WeakPolarHBondContact CD-OE2 3.32Å; R55-E126 HydrophobicContact CG-CB 3.99Å; R55-E126 VanDerWaalsContact CG-OE2 3.24Å; R55-E126 WeakPolarHBondContact CG-OE2 3.44Å; R55-E126 IonicContact CZ-OE2 2.81Å; R55-E126 IonicContact NE-OE2 2.68Å; R55-E126 IonicContact NH1-OE2 3.51Å; R55-E126 PolarHBondContact NH1-OE2 3.29Å; R55-I128 HydrophobicContact CG-CD1 4.18Å
56	L	93.8	Very high	85.7	Confident	4 Å²	4	69 Å²	69	2%	0.021	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	131.2	168	-65.2	173	0	0	0	109.7	I39 F43 V53 I116 I124 E126 I128	I39-L56 HydrophobicContact CD1-CB 4.28Å; I39-L56 HydrophobicContact CD1-CD2 4.07Å; F43-L56 HydrophobicContact CE1-CD2 3.76Å; F43-L56 HydrophobicContact CZ-CD2 4.11Å; V53-L56 HydrophobicContact CG1-CD2 3.74Å; V53-L56 HydrophobicContact CG1-CG 4.37Å; L56-I116 HydrophobicContact CD1-CD1 3.42Å; L56-I116 VanDerWaalsContact CD1-CD1 3.42Å; L56-I124 HydrophobicContact CD1-CD1 3.59Å; L56-I124 HydrophobicContact CD1-CG1 3.94Å; L56-I124 HydrophobicContact CD1-CG2 4.09Å; L56-I124 HydrophobicContact CG-CD1 4.47Å; L56-I124 HydrophobicContact CG-CG1 4.32Å; L56-I124 HydrophobicContact CG-CG2 4.33Å; L56-E126 PolarHBondContact N-O 3.38Å; L56-I128 WeakPolarHBondContact O-CB 3.27Å; L56-I128 PolarHBondContact O-N 2.96Å
57	L	94.4	Very high	84	Confident	44 Å²	44	76.2 Å²	76.2	23%	0.23	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	108.6	169.6	172	60.7	0	0	0	108	S38 I39 D59 I128 W130	S38-L57 WeakPolarHBondContact CB-O 3.47Å; S38-L57 PolarHBondContact OG-O 2.89Å; I39-L57 WeakPolarHBondContact CD1-O 2.98Å; L57-D59 HydrophobicContact CD1-CB 4.23Å; L57-D59 HydrophobicContact CG-CB 4.15Å; L57-I128 CarbonylContact C-O 3.53Å; L57-I128 VanDerWaalsContact CA-O 3.31Å; L57-I128 WeakPolarHBondContact CA-O 3.47Å; L57-I128 HydrophobicContact CD1-CB 4.17Å; L57-I128 HydrophobicContact CD1-CG2 3.58Å; L57-W130 HydrophobicContact CD1-CD2 3.79Å; L57-W130 HydrophobicContact CD1-CE3 3.79Å; L57-W130 HydrophobicContact CD1-CG 4.35Å; L57-W130 HydrophobicContact CD1-CH2 4.31Å; L57-W130 HydrophobicContact CD1-CZ2 4.3Å; L57-W130 HydrophobicContact CD1-CZ3 4.05Å; L57-W130 HydrophobicContact CD2-CZ3 4.38Å
58	V	93.5	Very high	82.1	Confident	4 Å²	4	84.2 Å²	84.2	2%	0.024	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	112.1	166.2	-178.7	0	0	0	0	106.7	I39 P60 L109 L112 I128 I129 W130	I39-V58 HydrophobicContact CD1-CG2 3.88Å; I39-V58 HydrophobicContact CG1-CG2 4Å; V58-P60 HydrophobicContact CG1-CG 4.33Å; V58-L109 HydrophobicContact CG2-CD1 4.1Å; V58-L112 HydrophobicContact CG2-CD2 3.54Å; V58-I128 PolarHBondContact N-O 3.42Å; V58-I129 HydrophobicContact CB-CB 4.33Å; V58-I129 HydrophobicContact CB-CG1 4Å; V58-I129 HydrophobicContact CB-CG2 4.22Å; V58-I129 HydrophobicContact CG1-CG2 4.35Å; V58-I129 HydrophobicContact CG2-CG1 4.04Å; V58-I129 WeakPolarHBondContact O-CA 3.35Å; V58-W130 PolarHBondContact O-N 3.33Å
59	D	91.8	Very high	80.4	Confident	32 Å²	32	83.7 Å²	83.7	17%	0.171	40%	0.395	C	S	.	.			trans	-138.6	92.2	177.1	172.6	19.4	0	0	0	105.9	S38 L57 Q61 W130	S38-D59 PolarHBondContact OG-N 3.42Å; L57-D59 HydrophobicContact CD1-CB 4.23Å; L57-D59 HydrophobicContact CG-CB 4.15Å; D59-Q61 WeakPolarHBondContact OD1-CG 3.24Å; D59-Q61 PolarHBondContact OD2-NE2 3.26Å; D59-W130 HydrophobicContact CB-CE3 4.48Å
60	P	86.6	Confident	79.2	Confident	8 Å²	8	82.2 Å²	82.2	5%	0.052	40%	0.395	C	S	.	.			trans	-65.7	-39.7	-175.2	-26	38.3	0	0	0	113	V58 D62 V107 W130 D131 C132	V58-P60 HydrophobicContact CG1-CG 4.33Å; P60-D62 HydrophobicContact CB-CB 4.18Å; P60-D62 WeakPolarHBondContact CB-OD2 3.33Å; P60-V107 HydrophobicContact CB-CB 3.83Å; P60-V107 HydrophobicContact CB-CG2 3.76Å; P60-V107 HydrophobicContact CG-CB 3.82Å; P60-V107 HydrophobicContact CG-CG1 4.15Å; P60-V107 HydrophobicContact CG-CG2 4.25Å; P60-W130 WeakPolarHBondContact CD-O 3.35Å; P60-D131 WeakPolarHBondContact CD-O 3.48Å; P60-D131 WeakPolarHBondContact CG-O 3.41Å; P60-C132 HydrophobicContact CG-CB 4.05Å
61	Q	83.7	Confident	78	Confident	145 Å²	145	85.5 Å²	85.5	68%	0.678	41%	0.412	S	S	*	.			trans	56.6	37.6	-168.2	-51.8	-177	-4.8	0	0	112.1	D59	D59-Q61 WeakPolarHBondContact OD1-CG 3.24Å; D59-Q61 PolarHBondContact OD2-NE2 3.26Å
62	D	75	Confident	77	Confident	50 Å²	50	86 Å²	86	27%	0.267	42%	0.419	S	S	.	.			trans	-79.3	-25.5	-177.1	-78.8	-27.3	0	0	0	112.8	P60 K64 L106 V107	P60-D62 HydrophobicContact CB-CB 4.18Å; P60-D62 WeakPolarHBondContact CB-OD2 3.33Å; D62-K64 PolarHBondContact O-N 3.03Å; D62-L106 HydrophobicContact CB-CD2 3.75Å; D62-L106 WeakPolarHBondContact OD2-CA 3.35Å; D62-V107 PolarHBondContact OD2-N 3Å
63	R	68.4	Low	75.8	Confident	119 Å²	119	90.5 Å²	90.5	45%	0.449	43%	0.434	S	S	.	.	S	Bend	trans	-62.1	122.6	170.9	-74.5	-177.2	-154.5	-174.5	11.2	110.3	T65 D131 D160 F162	R63-T65 PolarHBondContact O-N 3.26Å; R63-D131 WeakPolarHBondContact CD-OD2 3.34Å; R63-D131 VanDerWaalsContact CG-OD2 3.27Å; R63-D131 WeakPolarHBondContact CG-OD2 3.44Å; R63-D131 IonicContact CZ-OD1 2.84Å; R63-D131 VanDerWaalsContact NE-CG 3.3Å; R63-D131 IonicContact NE-OD1 3.73Å; R63-D131 PolarHBondContact NE-OD1 3.15Å; R63-D131 IonicContact NE-OD2 3.47Å; R63-D131 PolarHBondContact NE-OD2 3.09Å; R63-D131 IonicContact NH2-OD1 2.61Å; R63-D131 PolarHBondContact NH2-OD1 2.93Å; R63-D160 IonicContact CZ-OD1 3.6Å; R63-D160 IonicContact CZ-OD2 2.65Å; R63-D160 IonicContact NH1-OD1 2.69Å; R63-D160 IonicContact NH1-OD2 2.71Å; R63-D160 PolarHBondContact NH1-OD2 2.61Å; R63-D160 IonicContact NH2-OD1 2.68Å; R63-D160 PolarHBondContact NH2-OD1 2.81Å; R63-D160 IonicContact NH2-OD2 3.72Å; R63-D160 PolarHBondContact NH2-OD2 3.48Å; R63-F162 VanDerWaalsContact NH2-CZ 3.28Å
64	K	66.5	Low	74.3	Confident	138 Å²	138	94 Å²	94	60%	0.6	45%	0.452	S	S	*	.	P	Polyproline II helix	trans	-59	126.2	170.4	-68.4	167.4	-177.1	166.7	0	108.7	D62 V66 D103	D62-K64 PolarHBondContact O-N 3.03Å; K64-V66 PolarHBondContact O-N 2.94Å; K64-V66 VanDerWaalsContact O-N 3.12Å; K64-D103 WeakPolarHBondContact CE-OD1 3.34Å; K64-D103 IonicContact NZ-OD1 2.71Å; K64-D103 PolarHBondContact NZ-OD1 2.89Å; K64-D103 IonicContact NZ-OD2 3.11Å; K64-D103 PolarHBondContact NZ-OD2 3.01Å
65	T	60.7	Low	73	Confident	126 Å²	126	95.1 Å²	95.1	77%	0.773	46%	0.462	S	S	*	.	P	Polyproline II helix	trans	-57	117.6	171.7	46.8	0	0	0	0	109.4	R63 E67	R63-T65 PolarHBondContact O-N 3.26Å; T65-E67 PolarHBondContact O-N 3.38Å
66	V	56.7	Low	71.8	Confident	103 Å²	103	96 Å²	96	62%	0.624	47%	0.474	S	S	*	.			trans	-66.6	102.7	174.6	179.5	0	0	0	0	108	K64 Y68	K64-V66 PolarHBondContact O-N 2.94Å; K64-V66 VanDerWaalsContact O-N 3.12Å; V66-Y68 HydrophobicContact CB-CE2 4.14Å; V66-Y68 HydrophobicContact CG1-CD2 4.12Å; V66-Y68 HydrophobicContact CG1-CE1 4.32Å; V66-Y68 HydrophobicContact CG1-CE2 3.88Å; V66-Y68 HydrophobicContact CG1-CG 4.45Å; V66-Y68 WeakPolarHBondContact O-CD2 3.15Å; V66-Y68 PolarHBondContact O-N 3.37Å
67	E	56.5	Low	70.5	Confident	158 Å²	158	98.4 Å²	98.4	74%	0.738	50%	0.495	S	S	*	.			trans	-69.2	99.8	166.3	-70.2	-173.9	169.9	0	0	107.5	T65 W69	T65-E67 PolarHBondContact O-N 3.38Å; E67-W69 VanDerWaalsContact O-CD1 3.28Å; E67-W69 PolarHBondContact O-N 3.03Å
68	Y	54.2	Low	69	Low	203 Å²	203	103.2 Å²	103.2	80%	0.796	51%	0.514	S	S	*	.	P	Polyproline II helix	trans	-67.3	126.8	166.7	-69.8	-87.9	0	0	0	108.7	V66	V66-Y68 HydrophobicContact CB-CE2 4.14Å; V66-Y68 HydrophobicContact CG1-CD2 4.12Å; V66-Y68 HydrophobicContact CG1-CE1 4.32Å; V66-Y68 HydrophobicContact CG1-CE2 3.88Å; V66-Y68 HydrophobicContact CG1-CG 4.45Å; V66-Y68 WeakPolarHBondContact O-CD2 3.15Å; V66-Y68 PolarHBondContact O-N 3.37Å
69	W	56.1	Low	67.2	Low	143 Å²	143	106.1 Å²	106.1	54%	0.542	54%	0.544	S	S	.	.	P	Polyproline II helix	trans	-82	132	176.3	-69.9	31.7	0	0	0	107.9	E67 K73 A77	E67-W69 VanDerWaalsContact O-CD1 3.28Å; E67-W69 PolarHBondContact O-N 3.03Å; W69-K73 HydrophobicContact CE3-CB 4.14Å; W69-A77 HydrophobicContact CZ3-CB 3.73Å
70	V	66.7	Low	65.4	Low	91 Å²	91	111.2 Å²	111.2	55%	0.552	57%	0.572	S	S	*	*	P	Polyproline II helix	trans	-66.2	141	167.2	-178.3	0	0	0	0	107.5	D72 K73 L74	V70-D72 PolarHBondContact O-N 3.41Å; V70-D72 VanDerWaalsContact O-N 3.08Å; V70-K73 WeakPolarHBondContact O-CB 3.3Å; V70-K73 PolarHBondContact O-N 3.45Å; V70-L74 PolarHBondContact O-N 3.25Å
71	D	67	Low	63.9	Low	128 Å²	128	114.3 Å²	114.3	68%	0.684	60%	0.598	S	S	*	*	H	α-helix	trans	-50.8	-40.2	-170	-60.4	-47.6	0	0	0	113.2	K73 L74 S75	D71-K73 VanDerWaalsContact C-N 3.27Å; D71-K73 PolarHBondContact O-N 2.96Å; D71-L74 CarbonylContact O-C 3.59Å; D71-L74 WeakPolarHBondContact O-CA 3.09Å; D71-L74 WeakPolarHBondContact O-CB 3.3Å; D71-L74 PolarHBondContact O-N 3.33Å; D71-S75 PolarHBondContact O-N 2.99Å; D71-S75 PolarHBondContact O-OG 2.86Å
72	D	69.9	Low	62.2	Low	118 Å²	118	115.3 Å²	115.3	63%	0.631	61%	0.608	S	S	*	*	H	α-helix	trans	-53.5	-38.3	175	-55.8	-32.4	0	0	0	113.7	V70 S75 D76	V70-D72 PolarHBondContact O-N 3.41Å; V70-D72 VanDerWaalsContact O-N 3.08Å; D72-S75 WeakPolarHBondContact CA-OG 3.44Å; D72-S75 PolarHBondContact O-OG 3.03Å; D72-S75 VanDerWaalsContact O-OG 3.06Å; D72-D76 VanDerWaalsContact O-CB 3.29Å; D72-D76 WeakPolarHBondContact O-CB 3.36Å; D72-D76 PolarHBondContact O-N 3.37Å
73	K	66.6	Low	60.9	Low	134 Å²	134	116 Å²	116	58%	0.583	63%	0.626	S	S	*	*	H	α-helix	trans	-76.7	-25.8	177.7	-68.6	-177.1	178.1	176.5	0	112.5	W69 V70 D71 A77	W69-K73 HydrophobicContact CE3-CB 4.14Å; V70-K73 WeakPolarHBondContact O-CB 3.3Å; V70-K73 PolarHBondContact O-N 3.45Å; D71-K73 VanDerWaalsContact C-N 3.27Å; D71-K73 PolarHBondContact O-N 2.96Å; K73-A77 WeakPolarHBondContact O-CB 3.36Å; K73-A77 PolarHBondContact O-N 2.79Å
74	L	63.3	Low	59.6	Low	81 Å²	81	119 Å²	119	42%	0.424	65%	0.652	S	S	.	*	H	α-helix	trans	-79.2	-44.2	178.3	-164.8	152.3	0	0	0	109.1	V70 D71 A77 F78	V70-L74 PolarHBondContact O-N 3.25Å; D71-L74 CarbonylContact O-C 3.59Å; D71-L74 WeakPolarHBondContact O-CA 3.09Å; D71-L74 WeakPolarHBondContact O-CB 3.3Å; D71-L74 PolarHBondContact O-N 3.33Å; L74-A77 PolarHBondContact O-N 3.48Å; L74-F78 HydrophobicContact CD2-CD2 3.78Å; L74-F78 HydrophobicContact CD2-CE2 4.16Å; L74-F78 HydrophobicContact CG-CD2 4.1Å; L74-F78 HydrophobicContact CG-CE2 4.17Å; L74-F78 WeakPolarHBondContact O-CD2 3.35Å; L74-F78 PolarHBondContact O-N 2.68Å
75	S	67	Low	58.6	Low	69 Å²	69	119.7 Å²	119.7	48%	0.483	66%	0.662	S	S	.	*	H	α-helix	trans	-65	-41	172.5	59.6	0	0	0	0	112.6	D71 D72 A77 G79	D71-S75 PolarHBondContact O-N 2.99Å; D71-S75 PolarHBondContact O-OG 2.86Å; D72-S75 WeakPolarHBondContact CA-OG 3.44Å; D72-S75 PolarHBondContact O-OG 3.03Å; D72-S75 VanDerWaalsContact O-OG 3.06Å; S75-A77 VanDerWaalsContact C-N 3.26Å; S75-A77 PolarHBondContact O-N 2.86Å; S75-G79 WeakPolarHBondContact O-CA 3.45Å; S75-G79 PolarHBondContact O-N 2.59Å
76	D	70.1	Confident	57.6	Low	118 Å²	118	122.5 Å²	122.5	63%	0.631	66%	0.663	S	S	*	*	H	α-helix	trans	-57.2	-37.9	171.3	-93.4	-13.9	0	0	0	112.5	D72 N80	D72-D76 VanDerWaalsContact O-CB 3.29Å; D72-D76 WeakPolarHBondContact O-CB 3.36Å; D72-D76 PolarHBondContact O-N 3.37Å; D76-N80 PolarHBondContact O-ND2 3.11Å
77	A	66.4	Low	56.7	Low	55 Å²	55	122.9 Å²	122.9	46%	0.455	67%	0.671	S	S	.	*	H	α-helix	trans	-81	-33	-174.6	0	0	0	0	0	114	W69 K73 L74 S75	W69-A77 HydrophobicContact CZ3-CB 3.73Å; K73-A77 WeakPolarHBondContact O-CB 3.36Å; K73-A77 PolarHBondContact O-N 2.79Å; L74-A77 PolarHBondContact O-N 3.48Å; S75-A77 VanDerWaalsContact C-N 3.26Å; S75-A77 PolarHBondContact O-N 2.86Å
78	F	62.3	Low	56.1	Low	145 Å²	145	124.3 Å²	124.3	64%	0.636	68%	0.675	S	S	*	*	H	α-helix	trans	-96.1	-30.5	178.4	-71.7	-74.2	0	0	0	113.3	L74 N80 A81	L74-F78 HydrophobicContact CD2-CD2 3.78Å; L74-F78 HydrophobicContact CD2-CE2 4.16Å; L74-F78 HydrophobicContact CG-CD2 4.1Å; L74-F78 HydrophobicContact CG-CE2 4.17Å; L74-F78 WeakPolarHBondContact O-CD2 3.35Å; L74-F78 PolarHBondContact O-N 2.68Å; F78-N80 PolarHBondContact O-N 3.1Å; F78-N80 VanDerWaalsContact O-N 3.08Å; F78-A81 VanDerWaalsContact O-CB 3.27Å; F78-A81 WeakPolarHBondContact O-CB 3.15Å; F78-A81 PolarHBondContact O-N 3.17Å
79	G	55.8	Low	55.2	Low	64 Å²	64	121.8 Å²	121.8	66%	0.66	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68	-5.5	179.8	0	0	0	0	0	115.3	S75	S75-G79 WeakPolarHBondContact O-CA 3.45Å; S75-G79 PolarHBondContact O-N 2.59Å
80	N	54.7	Low	54.6	Low	140 Å²	140	121.9 Å²	121.9	75%	0.749	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.6	8.1	171.1	-78	-82.5	0	0	0	113.3	D76 F78	D76-N80 PolarHBondContact O-ND2 3.11Å; F78-N80 PolarHBondContact O-N 3.1Å; F78-N80 VanDerWaalsContact O-N 3.08Å
81	A	54.1	Low	53.3	Low	73 Å²	73	124.9 Å²	124.9	60%	0.603	70%	0.698	S	S	*	*	S	Bend	trans	-88.2	-45.9	179.4	0	0	0	0	0	113.6	F78 G83	F78-A81 VanDerWaalsContact O-CB 3.27Å; F78-A81 WeakPolarHBondContact O-CB 3.15Å; F78-A81 PolarHBondContact O-N 3.17Å; A81-G83 PolarHBondContact O-N 3.07Å
82	D	47.8	Very low	51.9	Low	165 Å²	165	128.6 Å²	128.6	88%	0.882	71%	0.708	S	S	*	*	S	Bend	trans	-102.6	61	-169.5	-61.8	-52.9	0	0	0	112.1
83	G	47.1	Very low	50.4	Low	64 Å²	64	130.8 Å²	130.8	66%	0.66	71%	0.712	S	S	*	*			trans	-141.6	84.1	-174.1	0	0	0	0	0	114.2	A81 D85	A81-G83 PolarHBondContact O-N 3.07Å; G83-D85 PolarHBondContact O-N 3.2Å
84	D	41.4	Very low	49	Very low	183 Å²	183	131.6 Å²	131.6	98%	0.979	72%	0.723	S	S	*	*			trans	-70.5	86.3	168.7	-102.8	-38.2	0	0	0	110.8
85	D	46	Very low	48	Very low	153 Å²	153	135.5 Å²	135.5	82%	0.818	74%	0.742	S	S	*	*			trans	-145.5	149.3	154.9	-154.3	1.5	0	0	0	113.6	G83	G83-D85 PolarHBondContact O-N 3.2Å
86	K	40.1	Very low	46.7	Very low	184 Å²	184	140.7 Å²	140.7	80%	0.8	76%	0.756	S	S	*	*			trans	-87.1	163.1	178.9	-68.5	155.8	-175.6	160.5	0	109.8
87	S	37.7	Very low	45.1	Very low	112 Å²	112	144.7 Å²	144.7	78%	0.783	77%	0.768	S	S	*	*			trans	67.1	80	171	70.7	0	0	0	0	117.3
88	K	43.2	Very low	43.9	Very low	188 Å²	188	151.5 Å²	151.5	82%	0.817	79%	0.787	S	S	*	*			trans	-150.3	122	140.8	-106	143.7	-166.9	167.3	0	111.2	I90	K88-I90 HydrophobicContact CB-CG1 4.32Å; K88-I90 PolarHBondContact O-N 3.32Å
89	T	35.9	Very low	42.8	Very low	150 Å²	150	153.1 Å²	153.1	92%	0.92	80%	0.797	S	S	*	*			trans	-80.4	56.5	-173.7	-26.5	0	0	0	0	111.8	Q91	T89-Q91 PolarHBondContact O-N 3.18Å
90	I	42.8	Very low	42.4	Very low	145 Å²	145	157.5 Å²	157.5	74%	0.744	81%	0.805	S	S	*	*			trans	-66.3	122.4	179.3	-59.8	-179.9	0	0	0	108.7	K88 K92	K88-I90 HydrophobicContact CB-CG1 4.32Å; K88-I90 PolarHBondContact O-N 3.32Å; I90-K92 PolarHBondContact O-N 3.35Å
91	Q	40.5	Very low	42.2	Very low	153 Å²	153	159.5 Å²	159.5	72%	0.715	81%	0.806	S	S	*	*			trans	-55.7	121.7	-179.1	-65	174.2	-4.9	0	0	110.1	T89 K93	T89-Q91 PolarHBondContact O-N 3.18Å; Q91-K93 PolarHBondContact O-N 3.35Å
92	K	37.5	Very low	42.3	Very low	206 Å²	206	165 Å²	165	90%	0.896	82%	0.819	S	S	*	*			trans	-67.3	70	165.9	-73.4	-177.2	176.6	176.6	0	110	I90 N94	I90-K92 PolarHBondContact O-N 3.35Å; K92-N94 PolarHBondContact O-N 3.07Å
93	K	39	Very low	43.2	Very low	164 Å²	164	162.1 Å²	162.1	71%	0.713	80%	0.804	S	S	*	*			trans	-55.2	125.1	165.2	-79.3	179.8	176.5	172.2	0	106.7	Q91 I95	Q91-K93 PolarHBondContact O-N 3.35Å; K93-I95 PolarHBondContact O-N 2.86Å
94	N	36.4	Very low	44.3	Very low	151 Å²	151	166.5 Å²	166.5	81%	0.807	81%	0.805	S	S	*	*			trans	-57.7	95.6	-173.7	-78.4	-52.1	0	0	0	111.4	K92 K96	K92-N94 PolarHBondContact O-N 3.07Å; N94-K96 PolarHBondContact O-N 3.37Å
95	I	43.1	Very low	46.1	Very low	164 Å²	164	161.2 Å²	161.2	84%	0.841	78%	0.781	S	S	*	*			trans	-66.8	82.1	156.9	-56	178.7	0	0	0	105.1	K93 K97	K93-I95 PolarHBondContact O-N 2.86Å; I95-K97 PolarHBondContact O-N 3.44Å
96	K	38.3	Very low	48	Very low	177 Å²	177	159.6 Å²	159.6	77%	0.77	77%	0.771	S	S	*	*			trans	-51.9	115.6	166.6	-69	-176	177.7	-176.2	0	105.2	N94 K98	N94-K96 PolarHBondContact O-N 3.37Å; K96-K98 VanDerWaalsContact C-N 3.26Å; K96-K98 PolarHBondContact O-N 3.43Å
97	K	38.3	Very low	50.3	Low	202 Å²	202	151.2 Å²	151.2	88%	0.878	74%	0.736	S	S	*	*			trans	-53.5	100.5	166	-73.7	-174.9	176	-176.4	0	105.7	I95 Q99	I95-K97 PolarHBondContact O-N 3.44Å; K97-Q99 VanDerWaalsContact C-N 3.34Å; K97-Q99 PolarHBondContact O-N 3.12Å
98	K	40.9	Very low	52.9	Low	198 Å²	198	149.4 Å²	149.4	86%	0.861	71%	0.714	S	S	*	*			trans	-59.8	107.7	169.1	-78.4	178.8	178.5	172.5	0	103.5	K96 L100	K96-K98 VanDerWaalsContact C-N 3.26Å; K96-K98 PolarHBondContact O-N 3.43Å; K98-L100 PolarHBondContact O-N 3.35Å; K98-L100 VanDerWaalsContact O-N 3.14Å
99	Q	37.7	Very low	55.2	Low	179 Å²	179	140.5 Å²	140.5	84%	0.836	68%	0.675	S	S	*	*			trans	-49.3	126.8	167.1	-74.3	173.3	-28.9	0	0	105.9	K97 K101	K97-Q99 VanDerWaalsContact C-N 3.34Å; K97-Q99 PolarHBondContact O-N 3.12Å; Q99-K101 PolarHBondContact O-N 3.02Å
100	L	47.3	Very low	58	Low	157 Å²	157	134.9 Å²	134.9	82%	0.822	64%	0.639	S	S	*	*			trans	-58.2	109.9	176.2	-168.8	73.4	0	0	0	105.2	K98 E102	K98-L100 PolarHBondContact O-N 3.35Å; K98-L100 VanDerWaalsContact O-N 3.14Å; L100-E102 PolarHBondContact O-N 3.11Å
101	K	51	Low	60.4	Low	181 Å²	181	128 Å²	128	79%	0.787	60%	0.604	S	S	*	*	P	Polyproline II helix	trans	-59.8	130.9	178	-73.8	-174.4	174.4	-176	0	106.2	Q99 D103	Q99-K101 PolarHBondContact O-N 3.02Å; K101-D103 PolarHBondContact O-N 3.24Å
102	E	56.6	Low	63	Low	188 Å²	188	120.8 Å²	120.8	88%	0.879	57%	0.571	S	S	*	*	P	Polyproline II helix	trans	-49.9	118.6	170.9	-64.5	178.7	156.1	0	0	107.6	L100 K104	L100-E102 PolarHBondContact O-N 3.11Å; E102-K104 PolarHBondContact O-N 2.61Å
103	D	65.8	Low	65.7	Low	106 Å²	106	111.1 Å²	111.1	57%	0.567	53%	0.528	S	S	*	.	P	Polyproline II helix	trans	-64.6	133	-177.6	-84.8	-41.4	0	0	0	108.3	K64 K101	K64-D103 WeakPolarHBondContact CE-OD1 3.34Å; K64-D103 IonicContact NZ-OD1 2.71Å; K64-D103 PolarHBondContact NZ-OD1 2.89Å; K64-D103 IonicContact NZ-OD2 3.11Å; K64-D103 PolarHBondContact NZ-OD2 3.01Å; K101-D103 PolarHBondContact O-N 3.24Å
104	K	70.5	Confident	68.3	Low	156 Å²	156	105.7 Å²	105.7	68%	0.678	51%	0.506	S	S	*	.	P	Polyproline II helix	trans	-61	142.2	-176.3	-64	176.2	-174	167.5	0	109.3	T34 E102 L106	T34-K104 HydrophobicContact CG2-CB 3.93Å; T34-K104 HydrophobicContact CG2-CD 4.38Å; E102-K104 PolarHBondContact O-N 2.61Å; K104-L106 PolarHBondContact O-N 3.07Å
105	P	79.1	Confident	71.1	Confident	71 Å²	71	98.5 Å²	98.5	46%	0.461	47%	0.467	S	S	.	.	P	Polyproline II helix	trans	-63.6	126.1	174.9	26.2	-33	0	0	0	110	K32 T34	K32-P105 WeakPolarHBondContact O-CB 3.29Å; K32-P105 WeakPolarHBondContact O-CG 3.35Å; T34-P105 WeakPolarHBondContact CB-O 3.49Å; T34-P105 HydrophobicContact CG2-CG 4.23Å; T34-P105 WeakPolarHBondContact CG2-O 3.4Å; T34-P105 PolarHBondContact N-O 3.2Å; T34-P105 PolarHBondContact OG1-O 3.16Å
106	L	85.7	Confident	73.5	Confident	119 Å²	119	90.7 Å²	90.7	62%	0.623	43%	0.427	S	S	*	.	P	Polyproline II helix	trans	-53.6	147.9	-178.7	-57	175.8	0	0	0	111.5	T33 D62 K104 K108	T33-L106 PolarHBondContact OG1-O 3.19Å; D62-L106 HydrophobicContact CB-CD2 3.75Å; D62-L106 WeakPolarHBondContact OD2-CA 3.35Å; K104-L106 PolarHBondContact O-N 3.07Å; L106-K108 PolarHBondContact O-N 3.17Å
107	V	89.6	Confident	76.1	Confident	9 Å²	9	88 Å²	88	6%	0.055	41%	0.412	C	S	.	.			trans	-67.4	113.6	178.1	174.9	0	0	0	0	111	T33 T34 C36 P60 D62 C132	T33-V107 WeakPolarHBondContact OG1-CA 3.27Å; T34-V107 VanDerWaalsContact OG1-CG2 3.31Å; T34-V107 WeakPolarHBondContact OG1-CG2 3.36Å; C36-V107 HydrophobicContact CB-CG1 3.85Å; C36-V107 HydrophobicContact CB-CG2 4.38Å; P60-V107 HydrophobicContact CB-CB 3.83Å; P60-V107 HydrophobicContact CB-CG2 3.76Å; P60-V107 HydrophobicContact CG-CB 3.82Å; P60-V107 HydrophobicContact CG-CG1 4.15Å; P60-V107 HydrophobicContact CG-CG2 4.25Å; D62-V107 PolarHBondContact OD2-N 3Å; V107-C132 PolarHBondContact O-SG 3.02Å
108	K	91.3	Very high	78.7	Confident	73 Å²	73	81.1 Å²	81.1	32%	0.317	39%	0.393	S	S	.	.			trans	-84.3	149.3	165.2	-65.8	-156.6	173.4	-146.6	0	112.2	T33 L106 P111 E135	T33-K108 HydrophobicContact CG2-CB 4.23Å; T33-K108 PolarHBondContact OG1-N 3.42Å; L106-K108 PolarHBondContact O-N 3.17Å; K108-P111 WeakPolarHBondContact O-CD 3.38Å; K108-E135 WeakPolarHBondContact CE-OE1 3.12Å; K108-E135 IonicContact NZ-OE1 3.19Å; K108-E135 PolarHBondContact NZ-OE1 3.22Å; K108-E135 IonicContact NZ-OE2 3.66Å; K108-E135 PolarHBondContact NZ-OE2 3.06Å
109	L	93.1	Very high	81.2	Confident	2 Å²	2	74.3 Å²	74.3	1%	0.01	36%	0.364	C	S	.	.	S	Bend	trans	-84.2	-37.9	-177	179.8	63.2	0	0	0	113.2	V58 P111 L112 I113 I129 I134 D138 L142	V58-L109 HydrophobicContact CG2-CD1 4.1Å; L109-P111 WeakPolarHBondContact O-CD 3.47Å; L109-L112 WeakPolarHBondContact O-CB 3.49Å; L109-L112 PolarHBondContact O-N 2.91Å; L109-I113 HydrophobicContact CD1-CD1 4.16Å; L109-I113 HydrophobicContact CD1-CG1 4.06Å; L109-I113 HydrophobicContact CD2-CG1 4.44Å; L109-I113 HydrophobicContact CG-CD1 4.35Å; L109-I113 HydrophobicContact CG-CG1 3.82Å; L109-I113 PolarHBondContact O-N 3.22Å; L109-I129 HydrophobicContact CD1-CD1 3.87Å; L109-I129 HydrophobicContact CD1-CG1 4.11Å; L109-I129 HydrophobicContact CD2-CD1 3.58Å; L109-I129 HydrophobicContact CD2-CG1 4.49Å; L109-I129 HydrophobicContact CG-CD1 4.4Å; L109-I134 HydrophobicContact CD2-CD1 4.12Å; L109-I134 HydrophobicContact CD2-CG1 4.25Å; L109-D138 HydrophobicContact CB-CB 4.35Å; L109-D138 WeakPolarHBondContact CB-OD1 3.2Å; L109-D138 HydrophobicContact CD2-CB 4.38Å; L109-L142 HydrophobicContact CD2-CD2 4.38Å
110	L	93.7	Very high	83.8	Confident	31 Å²	31	75.6 Å²	75.6	16%	0.162	36%	0.361	C	S	.	.	H	α-helix	trans	-47.3	-44.7	-175.1	-167.3	61.1	0	0	0	114.9	Y31 L112 I113 E114 D138 A141	Y31-L110 HydrophobicContact CE1-CD2 3.76Å; L110-L112 VanDerWaalsContact C-N 3.27Å; L110-L112 PolarHBondContact O-N 3.31Å; L110-I113 PolarHBondContact O-N 2.85Å; L110-E114 HydrophobicContact CD1-CG 4.34Å; L110-E114 HydrophobicContact CG-CG 4.33Å; L110-E114 WeakPolarHBondContact O-CB 3.25Å; L110-E114 WeakPolarHBondContact O-CG 3.43Å; L110-E114 PolarHBondContact O-N 3.21Å; L110-D138 WeakPolarHBondContact CA-OD1 3.43Å; L110-D138 VanDerWaalsContact CB-OD1 3.27Å; L110-D138 WeakPolarHBondContact CB-OD1 3.22Å; L110-D138 PolarHBondContact N-OD1 3.02Å; L110-A141 HydrophobicContact CD1-CB 3.44Å; L110-A141 VanDerWaalsContact CD1-CB 3.44Å
111	P	94.2	Very high	86	Confident	1 Å²	1	68.7 Å²	68.7	1%	0.006	32%	0.324	C	S	.	.	H	α-helix	trans	-58.7	-37.8	-179.8	-18.3	28.2	0	0	0	112.7	Y24 R27 Y31 T33 K108 L109 T115	Y24-P111 HydrophobicContact CD2-CB 4.14Å; Y24-P111 HydrophobicContact CE2-CB 4.05Å; R27-P111 HydrophobicContact CB-CB 3.69Å; R27-P111 WeakPolarHBondContact CD-O 3.46Å; Y31-P111 HydrophobicContact CD2-CB 4.12Å; Y31-P111 HydrophobicContact CD2-CG 3.74Å; Y31-P111 HydrophobicContact CG-CG 4.08Å; T33-P111 HydrophobicContact CG2-CG 3.72Å; K108-P111 WeakPolarHBondContact O-CD 3.38Å; L109-P111 WeakPolarHBondContact O-CD 3.47Å; P111-T115 WeakPolarHBondContact O-CB 3.46Å; P111-T115 PolarHBondContact O-N 2.95Å; P111-T115 PolarHBondContact O-OG1 2.77Å
112	L	94.6	Very high	87.9	Confident	2 Å²	2	63.5 Å²	63.5	1%	0.01	31%	0.307	C	S	.	.	H	α-helix	trans	-69.7	-47.3	180	179.2	59.6	0	0	0	110.9	Y24 I39 F43 V58 L109 L110 E114 T115 I116	Y24-L112 HydrophobicContact CD1-CD1 4.37Å; Y24-L112 HydrophobicContact CD2-CB 4.01Å; Y24-L112 HydrophobicContact CD2-CD1 4.2Å; Y24-L112 HydrophobicContact CE1-CD1 4.46Å; Y24-L112 HydrophobicContact CE2-CB 3.66Å; Y24-L112 HydrophobicContact CE2-CD1 4.32Å; Y24-L112 HydrophobicContact CG-CD1 4.26Å; I39-L112 HydrophobicContact CD1-CD2 3.76Å; I39-L112 HydrophobicContact CG1-CD2 3.9Å; I39-L112 HydrophobicContact CG2-CD1 3.9Å; I39-L112 HydrophobicContact CG2-CD2 4.45Å; F43-L112 HydrophobicContact CE2-CD1 4.27Å; F43-L112 HydrophobicContact CZ-CD1 4.06Å; V58-L112 HydrophobicContact CG2-CD2 3.54Å; L109-L112 WeakPolarHBondContact O-CB 3.49Å; L109-L112 PolarHBondContact O-N 2.91Å; L110-L112 VanDerWaalsContact C-N 3.27Å; L110-L112 PolarHBondContact O-N 3.31Å; L112-E114 VanDerWaalsContact C-N 3.33Å; L112-E114 PolarHBondContact O-N 3.47Å; L112-T115 PolarHBondContact O-N 2.95Å; L112-I116 HydrophobicContact CD1-CD1 4.02Å; L112-I116 HydrophobicContact CG-CD1 3.87Å; L112-I116 WeakPolarHBondContact O-CD1 3.28Å; L112-I116 VanDerWaalsContact O-CG1 3.26Å; L112-I116 WeakPolarHBondContact O-CG1 3.37Å; L112-I116 PolarHBondContact O-N 3.31Å
113	I	94.3	Very high	89.7	Confident	2 Å²	2	57.1 Å²	57.1	1%	0.01	28%	0.281	C	S	.	.	H	α-helix	trans	-65	-38.7	-179	-56.6	-61.5	0	0	0	110.9	L109 L110 R117 A141 L142 L145	L109-I113 HydrophobicContact CD1-CD1 4.16Å; L109-I113 HydrophobicContact CD1-CG1 4.06Å; L109-I113 HydrophobicContact CD2-CG1 4.44Å; L109-I113 HydrophobicContact CG-CD1 4.35Å; L109-I113 HydrophobicContact CG-CG1 3.82Å; L109-I113 PolarHBondContact O-N 3.22Å; L110-I113 PolarHBondContact O-N 2.85Å; I113-R117 WeakPolarHBondContact O-CB 3.31Å; I113-R117 WeakPolarHBondContact O-CD 3.38Å; I113-R117 VanDerWaalsContact O-CG 3.29Å; I113-R117 WeakPolarHBondContact O-CG 3.48Å; I113-R117 PolarHBondContact O-N 3.25Å; I113-A141 HydrophobicContact CB-CB 4.44Å; I113-A141 HydrophobicContact CG2-CB 3.83Å; I113-A141 WeakPolarHBondContact CG2-O 3.49Å; I113-L142 HydrophobicContact CD1-CD1 3.96Å; I113-L145 HydrophobicContact CD1-CD1 4.07Å; I113-L145 HydrophobicContact CG2-CD1 4.23Å; I113-L145 HydrophobicContact CG2-CD2 4.39Å; I113-L145 HydrophobicContact CG2-CG 4.26Å
114	E	93.5	Very high	91	Very high	50 Å²	50	52.1 Å²	52.1	23%	0.234	26%	0.255	C	S	.	.	H	α-helix	trans	-63.2	-47.7	171.8	-80	-161.9	171.4	0	0	113	R27 Y31 L110 L112 I116 R117 A118	R27-E114 IonicContact CZ-OE2 2.73Å; R27-E114 IonicContact NE-OE2 2.77Å; R27-E114 IonicContact NH1-OE2 3.45Å; R27-E114 PolarHBondContact NH1-OE2 3.04Å; Y31-E114 PolarHBondContact OH-OE1 2.69Å; L110-E114 HydrophobicContact CD1-CG 4.34Å; L110-E114 HydrophobicContact CG-CG 4.33Å; L110-E114 WeakPolarHBondContact O-CB 3.25Å; L110-E114 WeakPolarHBondContact O-CG 3.43Å; L110-E114 PolarHBondContact O-N 3.21Å; L112-E114 VanDerWaalsContact C-N 3.33Å; L112-E114 PolarHBondContact O-N 3.47Å; E114-I116 VanDerWaalsContact C-N 3.29Å; E114-I116 PolarHBondContact O-N 3.43Å; E114-R117 PolarHBondContact O-N 3.45Å; E114-R117 VanDerWaalsContact O-N 3.11Å; E114-A118 WeakPolarHBondContact O-CB 3.41Å; E114-A118 PolarHBondContact O-N 2.91Å
115	T	94.8	Very high	92.1	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-56.7	-45.5	177	-73.1	0	0	0	0	111.2	L20 D23 Y24 R27 P111 L112 R117 A118 K119	L20-T115 HydrophobicContact CD2-CG2 3.71Å; L20-T115 HydrophobicContact CG-CG2 3.72Å; L20-T115 WeakPolarHBondContact O-CG2 3.49Å; D23-T115 HydrophobicContact CB-CG2 3.97Å; D23-T115 WeakPolarHBondContact OD2-CA 3.38Å; D23-T115 VanDerWaalsContact OD2-CB 3.27Å; D23-T115 WeakPolarHBondContact OD2-CB 3.46Å; D23-T115 WeakPolarHBondContact OD2-CG2 3.18Å; D23-T115 PolarHBondContact OD2-OG1 2.98Å; Y24-T115 VanDerWaalsContact CA-OG1 3.29Å; Y24-T115 WeakPolarHBondContact CA-OG1 3.44Å; Y24-T115 PolarHBondContact N-OG1 2.87Å; R27-T115 WeakPolarHBondContact CD-OG1 3.43Å; R27-T115 PolarHBondContact NE-OG1 3.25Å; P111-T115 WeakPolarHBondContact O-CB 3.46Å; P111-T115 PolarHBondContact O-N 2.95Å; P111-T115 PolarHBondContact O-OG1 2.77Å; L112-T115 PolarHBondContact O-N 2.95Å; T115-R117 VanDerWaalsContact C-N 3.3Å; T115-R117 PolarHBondContact O-N 3.02Å; T115-A118 PolarHBondContact O-N 3.38Å; T115-K119 WeakPolarHBondContact O-CB 2.99Å; T115-K119 PolarHBondContact O-N 3.25Å
116	I	94	Very high	92.9	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-58.7	-41.9	176.7	-71.4	161.1	0	0	0	111.2	L56 L112 E114 R120 Y121 I124 L145 Y151	L56-I116 HydrophobicContact CD1-CD1 3.42Å; L56-I116 VanDerWaalsContact CD1-CD1 3.42Å; L112-I116 HydrophobicContact CD1-CD1 4.02Å; L112-I116 HydrophobicContact CG-CD1 3.87Å; L112-I116 WeakPolarHBondContact O-CD1 3.28Å; L112-I116 VanDerWaalsContact O-CG1 3.26Å; L112-I116 WeakPolarHBondContact O-CG1 3.37Å; L112-I116 PolarHBondContact O-N 3.31Å; E114-I116 VanDerWaalsContact C-N 3.29Å; E114-I116 PolarHBondContact O-N 3.43Å; I116-R120 WeakPolarHBondContact O-CA 3.22Å; I116-R120 PolarHBondContact O-N 2.84Å; I116-Y121 PolarHBondContact O-N 3.05Å; I116-I124 HydrophobicContact CB-CD1 4.4Å; I116-I124 HydrophobicContact CD1-CD1 3.86Å; I116-I124 HydrophobicContact CG1-CD1 4.02Å; I116-I124 HydrophobicContact CG2-CD1 3.47Å; I116-I124 VanDerWaalsContact CG2-CD1 3.47Å; I116-L145 HydrophobicContact CG2-CD2 4.23Å; I116-Y151 HydrophobicContact CG2-CD1 4.45Å; I116-Y151 HydrophobicContact CG2-CE1 3.62Å; I116-Y151 PolarHBondContact O-OH 2.84Å
117	R	92.6	Very high	93.4	Very high	120 Å²	120	42.4 Å²	42.4	45%	0.453	20%	0.202	S	C	.	.	H	α-helix	trans	-70.4	-44.8	177.8	-73.9	167.1	57	167.1	-10.5	112.7	I113 E114 T115 R120 A141 L145	I113-R117 WeakPolarHBondContact O-CB 3.31Å; I113-R117 WeakPolarHBondContact O-CD 3.38Å; I113-R117 VanDerWaalsContact O-CG 3.29Å; I113-R117 WeakPolarHBondContact O-CG 3.48Å; I113-R117 PolarHBondContact O-N 3.25Å; E114-R117 PolarHBondContact O-N 3.45Å; E114-R117 VanDerWaalsContact O-N 3.11Å; T115-R117 VanDerWaalsContact C-N 3.3Å; T115-R117 PolarHBondContact O-N 3.02Å; R117-R120 PolarHBondContact O-N 3.37Å; R117-A141 PolarHBondContact NH1-O 3.07Å; R117-L145 HydrophobicContact CG-CD2 3.56Å
118	A	93.5	Very high	93.7	Very high	58 Å²	58	42 Å²	42	48%	0.479	20%	0.2	S	C	.	.	H	α-helix	trans	-67.7	-44.9	-178.3	0	0	0	0	0	112.1	E114 T115 R120	E114-A118 WeakPolarHBondContact O-CB 3.41Å; E114-A118 PolarHBondContact O-N 2.91Å; T115-A118 PolarHBondContact O-N 3.38Å; A118-R120 PolarHBondContact O-N 2.6Å
119	K	93.2	Very high	93.9	Very high	56 Å²	56	38.5 Å²	38.5	24%	0.243	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-2.5	174.3	-66.2	-69.9	-173.9	179	0	113.4	F16 E19 L20 T115 Y121	F16-K119 HydrophobicContact CE2-CB 4.41Å; F16-K119 HydrophobicContact CZ-CB 3.93Å; F16-K119 WeakPolarHBondContact CZ-O 3.49Å; E19-K119 IonicContact OE2-NZ 2.69Å; E19-K119 PolarHBondContact OE2-NZ 3.15Å; L20-K119 HydrophobicContact CD1-CB 4.29Å; L20-K119 HydrophobicContact CG-CB 4.47Å; L20-K119 HydrophobicContact CG-CG 4.44Å; T115-K119 WeakPolarHBondContact O-CB 2.99Å; T115-K119 PolarHBondContact O-N 3.25Å; K119-Y121 PolarHBondContact O-N 3.39Å
120	R	92.2	Very high	94	Very high	206 Å²	206	42.4 Å²	42.4	78%	0.777	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.4	47.1	-179.6	-60.4	-177.3	175.6	-176.9	-1.2	113.7	I116 R117 A118 T122	I116-R120 WeakPolarHBondContact O-CA 3.22Å; I116-R120 PolarHBondContact O-N 2.84Å; R117-R120 PolarHBondContact O-N 3.37Å; A118-R120 PolarHBondContact O-N 2.6Å; R120-T122 PolarHBondContact O-N 2.82Å
121	Y	92.7	Very high	93.8	Very high	11 Å²	11	42.7 Å²	42.7	4%	0.043	20%	0.201	C	C	.	.			trans	-82.9	81.5	-174.4	-168	-117.4	0	0	0	113.1	F16 M17 L20 P52 V53 I116 K119 T123 I124 Y151	F16-Y121 HydrophobicContact CD1-CD2 4.3Å; F16-Y121 HydrophobicContact CD1-CE2 4.4Å; F16-Y121 AromaticContact CE1-CD2 3.4Å; F16-Y121 HydrophobicContact CE1-CD2 3.4Å; F16-Y121 VanDerWaalsContact CE1-CD2 3.4Å; F16-Y121 AromaticContact CE1-CE2 3.92Å; F16-Y121 HydrophobicContact CE1-CE2 3.92Å; F16-Y121 HydrophobicContact CE1-CG 4.21Å; F16-Y121 HydrophobicContact CZ-CD2 4.07Å; M17-Y121 HydrophobicContact SD-CE2 4.04Å; L20-Y121 HydrophobicContact CD1-CD1 4.15Å; L20-Y121 HydrophobicContact CD1-CD2 4.16Å; L20-Y121 HydrophobicContact CD1-CG 3.74Å; P52-Y121 WeakPolarHBondContact CA-OH 3.26Å; P52-Y121 WeakPolarHBondContact CB-OH 3.5Å; V53-Y121 HydrophobicContact CB-CE1 4.26Å; V53-Y121 PolarHBondContact N-OH 3.26Å; V53-Y121 WeakPolarHBondContact O-CE1 3.22Å; I116-Y121 PolarHBondContact O-N 3.05Å; K119-Y121 PolarHBondContact O-N 3.39Å; Y121-T123 VanDerWaalsContact C-N 3.32Å; Y121-T123 PolarHBondContact O-N 3.28Å; Y121-I124 HydrophobicContact CD1-CD1 4.04Å; Y121-I124 HydrophobicContact CD1-CG1 3.9Å; Y121-I124 HydrophobicContact CE1-CG1 4.2Å; Y121-I124 WeakPolarHBondContact O-CD1 3.49Å; Y121-Y151 VanDerWaalsContact O-CE1 3.31Å; Y121-Y151 WeakPolarHBondContact O-CE1 3.34Å
122	T	91.9	Very high	93.6	Very high	73 Å²	73	42.8 Å²	42.8	45%	0.448	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-3.3	-170.3	55.6	0	0	0	0	115.8	R120 I124 C150 Y151	R120-T122 PolarHBondContact O-N 2.82Å; T122-I124 PolarHBondContact O-N 2.96Å; T122-C150 WeakPolarHBondContact CB-O 3.4Å; T122-C150 WeakPolarHBondContact CG2-O 3.35Å; T122-Y151 HydrophobicContact CG2-CE1 4.38Å
123	T	93.1	Very high	93.4	Very high	54 Å²	54	49.2 Å²	49.2	33%	0.331	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-6.5	-173.7	-37.3	0	0	0	0	114.4	P52 T54 Y121	P52-T123 HydrophobicContact CB-CG2 3.8Å; P52-T123 HydrophobicContact CG-CG2 4.18Å; T54-T123 HydrophobicContact CG2-CG2 4.36Å; Y121-T123 VanDerWaalsContact C-N 3.32Å; Y121-T123 PolarHBondContact O-N 3.28Å
124	I	94	Very high	93.2	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.005	23%	0.227	C	C	.	.			trans	-69.9	133.7	-178.7	-56.8	155.4	0	0	0	110.8	L56 I116 Y121 T122 I127 I153	L56-I124 HydrophobicContact CD1-CD1 3.59Å; L56-I124 HydrophobicContact CD1-CG1 3.94Å; L56-I124 HydrophobicContact CD1-CG2 4.09Å; L56-I124 HydrophobicContact CG-CD1 4.47Å; L56-I124 HydrophobicContact CG-CG1 4.32Å; L56-I124 HydrophobicContact CG-CG2 4.33Å; I116-I124 HydrophobicContact CB-CD1 4.4Å; I116-I124 HydrophobicContact CD1-CD1 3.86Å; I116-I124 HydrophobicContact CG1-CD1 4.02Å; I116-I124 HydrophobicContact CG2-CD1 3.47Å; I116-I124 VanDerWaalsContact CG2-CD1 3.47Å; Y121-I124 HydrophobicContact CD1-CD1 4.04Å; Y121-I124 HydrophobicContact CD1-CG1 3.9Å; Y121-I124 HydrophobicContact CE1-CG1 4.2Å; Y121-I124 WeakPolarHBondContact O-CD1 3.49Å; T122-I124 PolarHBondContact O-N 2.96Å; I124-I127 HydrophobicContact CG2-CD1 4.26Å; I124-I127 HydrophobicContact CG2-CG1 3.68Å; I124-I153 HydrophobicContact CG2-CG1 4.46Å
125	Q	94.2	Very high	93	Very high	84 Å²	84	50.2 Å²	50.2	39%	0.393	23%	0.232	S	C	.	.			trans	-125.2	-33.9	-179.7	-64.7	173.6	1.7	0	0	112	T54 I153 T154 R155	T54-Q125 PolarHBondContact O-N 2.79Å; Q125-I153 CarbonylContact O-C 3.29Å; Q125-I153 WeakPolarHBondContact O-CA 3.33Å; Q125-T154 PolarHBondContact O-N 3.28Å; Q125-T154 PolarHBondContact O-OG1 2.91Å; Q125-R155 PolarHBondContact O-N 3.03Å
126	E	95.9	Very high	92.8	Very high	53 Å²	53	52.7 Å²	52.7	25%	0.248	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	126.5	175.7	-51.2	177.8	-170.3	0	0	109.6	T54 R55 L56 I128 R155	T54-E126 PolarHBondContact O-N 3.42Å; R55-E126 WeakPolarHBondContact CA-O 3.32Å; R55-E126 HydrophobicContact CB-CB 4.02Å; R55-E126 HydrophobicContact CB-CG 4.41Å; R55-E126 WeakPolarHBondContact CD-OE2 3.32Å; R55-E126 HydrophobicContact CG-CB 3.99Å; R55-E126 VanDerWaalsContact CG-OE2 3.24Å; R55-E126 WeakPolarHBondContact CG-OE2 3.44Å; R55-E126 IonicContact CZ-OE2 2.81Å; R55-E126 IonicContact NE-OE2 2.68Å; R55-E126 IonicContact NH1-OE2 3.51Å; R55-E126 PolarHBondContact NH1-OE2 3.29Å; L56-E126 PolarHBondContact N-O 3.38Å; E126-I128 HydrophobicContact CB-CD1 4.46Å; E126-R155 HydrophobicContact CB-CB 4.26Å; E126-R155 HydrophobicContact CG-CB 4.08Å
127	I	95.6	Very high	92.7	Very high	4 Å²	4	58.1 Å²	58.1	2%	0.021	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	121.5	167.3	-60.2	-179.1	0	0	0	108.1	I124 I129 L142 L145 I153 R155 I156 E157	I124-I127 HydrophobicContact CG2-CD1 4.26Å; I124-I127 HydrophobicContact CG2-CG1 3.68Å; I127-I129 HydrophobicContact CG2-CD1 3.73Å; I127-I129 HydrophobicContact CG2-CG1 4.11Å; I127-L142 HydrophobicContact CD1-CD1 3.96Å; I127-L142 HydrophobicContact CG2-CD1 4.09Å; I127-L145 HydrophobicContact CD1-CD1 3.68Å; I127-I153 HydrophobicContact CD1-CD1 3.63Å; I127-I153 HydrophobicContact CD1-CG1 4.25Å; I127-I153 HydrophobicContact CG1-CD1 4.42Å; I127-R155 PolarHBondContact N-O 2.94Å; I127-I156 CarbonylContact O-C 3.45Å; I127-I156 WeakPolarHBondContact O-CA 3.2Å; I127-E157 PolarHBondContact O-N 3.18Å
128	I	96.3	Very high	92.7	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	120.2	-175.6	-59.1	173.1	0	0	0	106.8	R55 L56 L57 V58 E126 W130 E157	R55-I128 HydrophobicContact CG-CD1 4.18Å; L56-I128 WeakPolarHBondContact O-CB 3.27Å; L56-I128 PolarHBondContact O-N 2.96Å; L57-I128 CarbonylContact C-O 3.53Å; L57-I128 VanDerWaalsContact CA-O 3.31Å; L57-I128 WeakPolarHBondContact CA-O 3.47Å; L57-I128 HydrophobicContact CD1-CB 4.17Å; L57-I128 HydrophobicContact CD1-CG2 3.58Å; V58-I128 PolarHBondContact N-O 3.42Å; E126-I128 HydrophobicContact CB-CD1 4.46Å; I128-W130 HydrophobicContact CG2-CD2 4.29Å; I128-W130 HydrophobicContact CG2-CG 4.44Å; I128-W130 HydrophobicContact CG2-CZ2 3.92Å; I128-E157 WeakPolarHBondContact CA-O 3.37Å; I128-E157 HydrophobicContact CB-CB 4.43Å; I128-E157 VanDerWaalsContact CD1-OE2 3.23Å; I128-E157 WeakPolarHBondContact CD1-OE2 3.45Å; I128-E157 HydrophobicContact CG1-CB 4.21Å; I128-E157 HydrophobicContact CG1-CG 4.24Å; I128-E157 WeakPolarHBondContact CG1-OE2 3.46Å; I128-E157 HydrophobicContact CG2-CB 4.13Å
129	I	95.7	Very high	92.8	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	122	-177.3	-61.8	150.1	0	0	0	106.9	V58 L109 I127 C132 I134 L142 E157 L158 I159 C161	V58-I129 HydrophobicContact CB-CB 4.33Å; V58-I129 HydrophobicContact CB-CG1 4Å; V58-I129 HydrophobicContact CB-CG2 4.22Å; V58-I129 HydrophobicContact CG1-CG2 4.35Å; V58-I129 HydrophobicContact CG2-CG1 4.04Å; V58-I129 WeakPolarHBondContact O-CA 3.35Å; L109-I129 HydrophobicContact CD1-CD1 3.87Å; L109-I129 HydrophobicContact CD1-CG1 4.11Å; L109-I129 HydrophobicContact CD2-CD1 3.58Å; L109-I129 HydrophobicContact CD2-CG1 4.49Å; L109-I129 HydrophobicContact CG-CD1 4.4Å; I127-I129 HydrophobicContact CG2-CD1 3.73Å; I127-I129 HydrophobicContact CG2-CG1 4.11Å; I129-C132 HydrophobicContact CG2-CB 3.68Å; I129-I134 HydrophobicContact CD1-CD1 4.49Å; I129-I134 HydrophobicContact CG2-CD1 4.17Å; I129-L142 HydrophobicContact CD1-CD1 4.45Å; I129-L142 HydrophobicContact CD1-CD2 4.1Å; I129-E157 PolarHBondContact N-O 2.83Å; I129-L158 HydrophobicContact CB-CD2 4.03Å; I129-L158 HydrophobicContact CD1-CD2 3.56Å; I129-L158 HydrophobicContact CG1-CD2 4.33Å; I129-L158 CarbonylContact O-C 3.6Å; I129-L158 WeakPolarHBondContact O-CA 3.33Å; I129-I159 PolarHBondContact O-N 3.21Å; I129-C161 PolarHBondContact O-SG 3.3Å; I129-C161 VanDerWaalsContact O-SG 3.4Å
130	W	94	Very high	92.8	Very high	85 Å²	85	50.6 Å²	50.6	32%	0.322	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	141.7	-178.3	-61.3	-16.3	0	0	0	109.4	L57 V58 D59 P60 I128 C132 I159	L57-W130 HydrophobicContact CD1-CD2 3.79Å; L57-W130 HydrophobicContact CD1-CE3 3.79Å; L57-W130 HydrophobicContact CD1-CG 4.35Å; L57-W130 HydrophobicContact CD1-CH2 4.31Å; L57-W130 HydrophobicContact CD1-CZ2 4.3Å; L57-W130 HydrophobicContact CD1-CZ3 4.05Å; L57-W130 HydrophobicContact CD2-CZ3 4.38Å; V58-W130 PolarHBondContact O-N 3.33Å; D59-W130 HydrophobicContact CB-CE3 4.48Å; P60-W130 WeakPolarHBondContact CD-O 3.35Å; I128-W130 HydrophobicContact CG2-CD2 4.29Å; I128-W130 HydrophobicContact CG2-CG 4.44Å; I128-W130 HydrophobicContact CG2-CZ2 3.92Å; W130-C132 PolarHBondContact O-N 3.43Å; W130-I159 VanDerWaalsContact CA-O 3.31Å; W130-I159 WeakPolarHBondContact CA-O 3.36Å; W130-I159 HydrophobicContact CG-CB 4.35Å
131	D	89.5	Confident	92.8	Very high	36 Å²	36	41.1 Å²	41.1	19%	0.193	21%	0.205	C	C	.	.	S	Bend	trans	44.7	56.4	175.8	-170.5	21.3	0	0	0	113.7	P60 R63 I159 D160	P60-D131 WeakPolarHBondContact CD-O 3.48Å; P60-D131 WeakPolarHBondContact CG-O 3.41Å; R63-D131 WeakPolarHBondContact CD-OD2 3.34Å; R63-D131 VanDerWaalsContact CG-OD2 3.27Å; R63-D131 WeakPolarHBondContact CG-OD2 3.44Å; R63-D131 IonicContact CZ-OD1 2.84Å; R63-D131 VanDerWaalsContact NE-CG 3.3Å; R63-D131 IonicContact NE-OD1 3.73Å; R63-D131 PolarHBondContact NE-OD1 3.15Å; R63-D131 IonicContact NE-OD2 3.47Å; R63-D131 PolarHBondContact NE-OD2 3.09Å; R63-D131 IonicContact NH2-OD1 2.61Å; R63-D131 PolarHBondContact NH2-OD1 2.93Å; D131-I159 PolarHBondContact N-O 2.94Å; D131-D160 VanDerWaalsContact CA-O 3.31Å; D131-D160 WeakPolarHBondContact CA-O 3.31Å; D131-D160 PolarHBondContact N-O 2.93Å
132	C	90.7	Very high	92.9	Very high	4 Å²	4	40.6 Å²	40.6	3%	0.027	20%	0.203	C	C	.	.			trans	-143.9	122.2	-176.4	-176.3	0	0	0	0	109.1	P60 V107 I129 W130 I134 C161	P60-C132 HydrophobicContact CG-CB 4.05Å; V107-C132 PolarHBondContact O-SG 3.02Å; I129-C132 HydrophobicContact CG2-CB 3.68Å; W130-C132 PolarHBondContact O-N 3.43Å; C132-I134 PolarHBondContact O-N 3.44Å; C132-C161 VanDerWaalsContact O-CA 3.29Å; C132-C161 WeakPolarHBondContact O-CA 3.44Å
133	Y	89.1	Confident	92.9	Very high	137 Å²	137	37.3 Å²	37.3	54%	0.537	18%	0.183	S	C	.	.			trans	-70.9	118.1	179.8	-175.5	-99.8	0	0	0	110.4	E135 F162	Y133-E135 HydrophobicContact CD1-CG 3.96Å; Y133-E135 HydrophobicContact CE1-CG 3.63Å; Y133-F162 HydrophobicContact CD2-CB 3.67Å; Y133-F162 HydrophobicContact CD2-CD2 4.06Å; Y133-F162 HydrophobicContact CD2-CG 4.02Å; Y133-F162 HydrophobicContact CE2-CB 3.97Å
134	I	91.2	Very high	92.7	Very high	4 Å²	4	35.8 Å²	35.8	2%	0.021	18%	0.178	C	C	.	.			trans	-102.5	107.3	-176.6	-60.5	-175.8	0	0	0	109.9	L109 I129 C132 D138 M139 L158 C161 L163	L109-I134 HydrophobicContact CD2-CD1 4.12Å; L109-I134 HydrophobicContact CD2-CG1 4.25Å; I129-I134 HydrophobicContact CD1-CD1 4.49Å; I129-I134 HydrophobicContact CG2-CD1 4.17Å; C132-I134 PolarHBondContact O-N 3.44Å; I134-D138 HydrophobicContact CG2-CB 3.68Å; I134-M139 HydrophobicContact CG2-CB 4.18Å; I134-M139 HydrophobicContact CG2-CE 4.09Å; I134-L158 HydrophobicContact CD1-CD1 4.48Å; I134-L158 HydrophobicContact CD1-CD2 3.94Å; I134-C161 HydrophobicContact CD1-CB 3.86Å; I134-C161 HydrophobicContact CG1-CB 4.16Å; I134-C161 PolarHBondContact N-O 3.16Å; I134-L163 HydrophobicContact CB-CD2 4.12Å; I134-L163 HydrophobicContact CD1-CD2 4.2Å; I134-L163 HydrophobicContact CG2-CD2 4.36Å
135	E	89.2	Confident	92.5	Very high	69 Å²	69	35.7 Å²	35.7	32%	0.322	18%	0.178	S	C	.	.			trans	-70.9	164.2	173.9	-70	164.7	-154.6	0	0	111.3	K108 Y133 D137 D138 M139	K108-E135 WeakPolarHBondContact CE-OE1 3.12Å; K108-E135 IonicContact NZ-OE1 3.19Å; K108-E135 PolarHBondContact NZ-OE1 3.22Å; K108-E135 IonicContact NZ-OE2 3.66Å; K108-E135 PolarHBondContact NZ-OE2 3.06Å; Y133-E135 HydrophobicContact CD1-CG 3.96Å; Y133-E135 HydrophobicContact CE1-CG 3.63Å; E135-D137 PolarHBondContact O-N 3.18Å; E135-D138 WeakPolarHBondContact CB-OD2 3.46Å; E135-D138 PolarHBondContact N-OD2 2.91Å; E135-D138 WeakPolarHBondContact O-CB 3.45Å; E135-D138 PolarHBondContact O-N 3.01Å; E135-D138 VanDerWaalsContact O-N 3.11Å; E135-M139 PolarHBondContact O-N 2.85Å
136	N	91.2	Very high	92.1	Very high	52 Å²	52	31.9 Å²	31.9	28%	0.278	16%	0.16	S	C	.	.	H	α-helix	trans	-59.5	-34.9	179.6	-90.1	-104.9	0	0	0	112	M139 V140 D164 K166	N136-M139 PolarHBondContact O-N 3.47Å; N136-V140 WeakPolarHBondContact O-CG2 3.49Å; N136-V140 PolarHBondContact O-N 3.5Å; N136-D164 PolarHBondContact ND2-OD1 3.04Å; N136-D164 PolarHBondContact ND2-OD2 2.98Å; N136-K166 WeakPolarHBondContact OD1-CB 3.17Å
137	D	91.9	Very high	91.5	Very high	113 Å²	113	32.4 Å²	32.4	60%	0.604	16%	0.164	S	C	*	.	H	α-helix	trans	-72.3	-35.3	175.6	-70.4	-30.7	0	0	0	113	E135 M139 V140 A141	E135-D137 PolarHBondContact O-N 3.18Å; D137-M139 VanDerWaalsContact C-N 3.29Å; D137-M139 PolarHBondContact O-N 3.34Å; D137-V140 PolarHBondContact O-N 2.94Å; D137-A141 WeakPolarHBondContact O-CB 3.34Å; D137-A141 PolarHBondContact O-N 2.74Å
138	D	92.8	Very high	90.5	Very high	3 Å²	3	40.1 Å²	40.1	2%	0.016	20%	0.198	C	C	.	.	H	α-helix	trans	-58	-44.9	169.4	-69.3	-63.5	0	0	0	110.2	L109 L110 I134 E135 A141 L142	L109-D138 HydrophobicContact CB-CB 4.35Å; L109-D138 WeakPolarHBondContact CB-OD1 3.2Å; L109-D138 HydrophobicContact CD2-CB 4.38Å; L110-D138 WeakPolarHBondContact CA-OD1 3.43Å; L110-D138 VanDerWaalsContact CB-OD1 3.27Å; L110-D138 WeakPolarHBondContact CB-OD1 3.22Å; L110-D138 PolarHBondContact N-OD1 3.02Å; I134-D138 HydrophobicContact CG2-CB 3.68Å; E135-D138 WeakPolarHBondContact CB-OD2 3.46Å; E135-D138 PolarHBondContact N-OD2 2.91Å; E135-D138 WeakPolarHBondContact O-CB 3.45Å; E135-D138 PolarHBondContact O-N 3.01Å; E135-D138 VanDerWaalsContact O-N 3.11Å; D138-A141 PolarHBondContact O-N 3.39Å; D138-L142 VanDerWaalsContact O-CB 3.25Å; D138-L142 WeakPolarHBondContact O-CB 3.27Å; D138-L142 PolarHBondContact O-N 2.85Å
139	M	94.1	Very high	89.6	Confident	0 Å²	0	42 Å²	42	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-66.6	-42.2	179	-172.6	58.6	75.9	0	0	112.3	I134 E135 N136 D137 A141 L142 T143 L158 L163 C167 L170 L171	I134-M139 HydrophobicContact CG2-CB 4.18Å; I134-M139 HydrophobicContact CG2-CE 4.09Å; E135-M139 PolarHBondContact O-N 2.85Å; N136-M139 PolarHBondContact O-N 3.47Å; D137-M139 VanDerWaalsContact C-N 3.29Å; D137-M139 PolarHBondContact O-N 3.34Å; M139-A141 VanDerWaalsContact C-N 3.31Å; M139-A141 PolarHBondContact O-N 2.98Å; M139-L142 PolarHBondContact O-N 3.13Å; M139-L142 HydrophobicContact SD-CD2 4.31Å; M139-T143 HydrophobicContact CG-CG2 4.15Å; M139-T143 WeakPolarHBondContact O-CB 3.26Å; M139-T143 VanDerWaalsContact O-CG2 3.22Å; M139-T143 WeakPolarHBondContact O-CG2 3.39Å; M139-T143 PolarHBondContact O-N 3.43Å; M139-T143 PolarHBondContact O-OG1 3.24Å; M139-T143 HydrophobicContact SD-CG2 3.81Å; M139-L158 HydrophobicContact CE-CD1 3.86Å; M139-L163 HydrophobicContact CE-CD2 3.51Å; M139-C167 HydrophobicContact CB-CB 4.32Å; M139-C167 HydrophobicContact CE-CB 3.98Å; M139-C167 HydrophobicContact CG-CB 4.16Å; M139-L170 HydrophobicContact CG-CB 4.07Å; M139-L171 HydrophobicContact CE-CB 4.32Å; M139-L171 HydrophobicContact SD-CB 3.93Å; M139-L171 HydrophobicContact SD-CD1 3.96Å; M139-L171 HydrophobicContact SD-CG 4.48Å
140	V	93.6	Very high	88.8	Confident	73 Å²	73	45.5 Å²	45.5	44%	0.442	24%	0.241	S	C	.	.	H	α-helix	trans	-60.3	-42	172.2	171.8	0	0	0	0	110.9	N136 D137 T143 G144 L170	N136-V140 WeakPolarHBondContact O-CG2 3.49Å; N136-V140 PolarHBondContact O-N 3.5Å; D137-V140 PolarHBondContact O-N 2.94Å; V140-T143 PolarHBondContact O-OG1 3.09Å; V140-G144 PolarHBondContact O-N 3.26Å; V140-G144 VanDerWaalsContact O-N 3.13Å; V140-L170 HydrophobicContact CG2-CD1 3.92Å; V140-L170 HydrophobicContact CG2-CD2 4.45Å
141	A	93.1	Very high	88.6	Confident	7 Å²	7	42.3 Å²	42.3	6%	0.058	23%	0.229	C	C	.	.	H	α-helix	trans	-65.7	-43.7	178.6	0	0	0	0	0	112.8	L110 I113 R117 D137 D138 M139	L110-A141 HydrophobicContact CD1-CB 3.44Å; L110-A141 VanDerWaalsContact CD1-CB 3.44Å; I113-A141 HydrophobicContact CB-CB 4.44Å; I113-A141 HydrophobicContact CG2-CB 3.83Å; I113-A141 WeakPolarHBondContact CG2-O 3.49Å; R117-A141 PolarHBondContact NH1-O 3.07Å; D137-A141 WeakPolarHBondContact O-CB 3.34Å; D137-A141 PolarHBondContact O-N 2.74Å; D138-A141 PolarHBondContact O-N 3.39Å; M139-A141 VanDerWaalsContact C-N 3.31Å; M139-A141 PolarHBondContact O-N 2.98Å
142	L	93.6	Very high	88.7	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-66.7	-51.1	179.9	174.9	63.3	0	0	0	111.9	L109 I113 I127 I129 D138 M139 G144 L145 L158	L109-L142 HydrophobicContact CD2-CD2 4.38Å; I113-L142 HydrophobicContact CD1-CD1 3.96Å; I127-L142 HydrophobicContact CD1-CD1 3.96Å; I127-L142 HydrophobicContact CG2-CD1 4.09Å; I129-L142 HydrophobicContact CD1-CD1 4.45Å; I129-L142 HydrophobicContact CD1-CD2 4.1Å; D138-L142 VanDerWaalsContact O-CB 3.25Å; D138-L142 WeakPolarHBondContact O-CB 3.27Å; D138-L142 PolarHBondContact O-N 2.85Å; M139-L142 PolarHBondContact O-N 3.13Å; M139-L142 HydrophobicContact SD-CD2 4.31Å; L142-G144 PolarHBondContact O-N 2.93Å; L142-L145 HydrophobicContact CD1-CD1 4.39Å; L142-L145 VanDerWaalsContact O-CB 3.3Å; L142-L145 WeakPolarHBondContact O-CB 3.33Å; L142-L145 WeakPolarHBondContact O-CG 3.31Å; L142-L145 PolarHBondContact O-N 3.32Å; L142-L158 HydrophobicContact CD2-CD1 4.49Å; L142-L158 HydrophobicContact CD2-CD2 4.01Å
143	T	91.7	Very high	88.8	Confident	4 Å²	4	45.3 Å²	45.3	3%	0.025	24%	0.244	C	C	.	.	H	α-helix	trans	-60.5	-33.6	176.9	54.9	0	0	0	0	112.8	M139 V140 L145 F146 N147 L171 N174	M139-T143 HydrophobicContact CG-CG2 4.15Å; M139-T143 WeakPolarHBondContact O-CB 3.26Å; M139-T143 VanDerWaalsContact O-CG2 3.22Å; M139-T143 WeakPolarHBondContact O-CG2 3.39Å; M139-T143 PolarHBondContact O-N 3.43Å; M139-T143 PolarHBondContact O-OG1 3.24Å; M139-T143 HydrophobicContact SD-CG2 3.81Å; V140-T143 PolarHBondContact O-OG1 3.09Å; T143-L145 PolarHBondContact O-N 3.33Å; T143-L145 VanDerWaalsContact O-N 3.15Å; T143-F146 HydrophobicContact CG2-CE1 4.32Å; T143-F146 HydrophobicContact CG2-CZ 3.93Å; T143-F146 PolarHBondContact O-N 3.22Å; T143-N147 WeakPolarHBondContact O-CB 3.43Å; T143-N147 PolarHBondContact O-N 2.86Å; T143-N147 VanDerWaalsContact O-N 3.16Å; T143-L171 HydrophobicContact CG2-CD1 4.37Å; T143-N174 HydrophobicContact CG2-CB 4.09Å
144	G	90	Very high	89.1	Confident	22 Å²	22	41.2 Å²	41.2	23%	0.227	23%	0.233	C	C	.	.	H	α-helix	trans	-60.5	-17.6	173.9	0	0	0	0	0	115.1	V140 L142	V140-G144 PolarHBondContact O-N 3.26Å; V140-G144 VanDerWaalsContact O-N 3.13Å; L142-G144 PolarHBondContact O-N 2.93Å
145	L	89	Confident	89.3	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-70.1	-57	172.5	-62.4	179.8	0	0	0	111.4	I113 I116 R117 I127 L142 T143 Y151 I153	I113-L145 HydrophobicContact CD1-CD1 4.07Å; I113-L145 HydrophobicContact CG2-CD1 4.23Å; I113-L145 HydrophobicContact CG2-CD2 4.39Å; I113-L145 HydrophobicContact CG2-CG 4.26Å; I116-L145 HydrophobicContact CG2-CD2 4.23Å; R117-L145 HydrophobicContact CG-CD2 3.56Å; I127-L145 HydrophobicContact CD1-CD1 3.68Å; L142-L145 HydrophobicContact CD1-CD1 4.39Å; L142-L145 VanDerWaalsContact O-CB 3.3Å; L142-L145 WeakPolarHBondContact O-CB 3.33Å; L142-L145 WeakPolarHBondContact O-CG 3.31Å; L142-L145 PolarHBondContact O-N 3.32Å; T143-L145 PolarHBondContact O-N 3.33Å; T143-L145 VanDerWaalsContact O-N 3.15Å; L145-Y151 HydrophobicContact CB-CD2 4.12Å; L145-Y151 HydrophobicContact CB-CG 4.34Å; L145-Y151 HydrophobicContact CD2-CD1 4.46Å; L145-Y151 HydrophobicContact CD2-CD2 4.15Å; L145-Y151 HydrophobicContact CD2-CE1 4.09Å; L145-Y151 HydrophobicContact CD2-CE2 3.76Å; L145-Y151 VanDerWaalsContact O-CD2 3.26Å; L145-Y151 WeakPolarHBondContact O-CD2 3.45Å; L145-I153 HydrophobicContact CB-CD1 3.81Å; L145-I153 HydrophobicContact CD1-CD1 4.36Å
146	F	87.1	Confident	89.7	Confident	4 Å²	4	40.4 Å²	40.4	2%	0.018	23%	0.227	C	C	.	.	H	α-helix	trans	-86.9	-25.9	-169.4	57.1	-97.1	0	0	0	114.4	T143 K148 G149 I153 I156 L171 N174 I175	T143-F146 HydrophobicContact CG2-CE1 4.32Å; T143-F146 HydrophobicContact CG2-CZ 3.93Å; T143-F146 PolarHBondContact O-N 3.22Å; F146-K148 PolarHBondContact O-N 2.9Å; F146-G149 PolarHBondContact O-N 3.16Å; F146-I153 HydrophobicContact CB-CB 4.27Å; F146-I153 HydrophobicContact CB-CD1 4.05Å; F146-I156 HydrophobicContact CD1-CD1 3.54Å; F146-I156 HydrophobicContact CE1-CD1 3.3Å; F146-I156 HydrophobicContact CE2-CD1 4.48Å; F146-I156 HydrophobicContact CG-CD1 4.22Å; F146-I156 HydrophobicContact CZ-CD1 3.83Å; F146-L171 HydrophobicContact CZ-CD1 4.14Å; F146-N174 HydrophobicContact CE2-CB 3.73Å; F146-N174 HydrophobicContact CZ-CB 4.22Å; F146-I175 HydrophobicContact CE2-CG1 3.78Å; F146-I175 HydrophobicContact CZ-CG1 4.03Å
147	N	82.3	Confident	89.9	Confident	63 Å²	63	38.7 Å²	38.7	34%	0.337	22%	0.217	S	C	.	.	H	α-helix	trans	-57.6	-47	177.9	-179.7	-6.4	0	0	0	112	T143 G149 N174	T143-N147 WeakPolarHBondContact O-CB 3.43Å; T143-N147 PolarHBondContact O-N 2.86Å; T143-N147 VanDerWaalsContact O-N 3.16Å; N147-G149 PolarHBondContact O-N 2.79Å; N147-G149 VanDerWaalsContact O-N 3.14Å; N147-N174 HydrophobicContact CB-CB 4.35Å; N147-N174 VanDerWaalsContact CB-OD1 3.29Å; N147-N174 WeakPolarHBondContact CB-OD1 2.9Å; N147-N174 PolarHBondContact ND2-OD1 3.21Å
148	K	75.1	Confident	90.2	Very high	167 Å²	167	33.3 Å²	33.3	73%	0.726	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.1	0.3	-174.5	-61	-169.5	178.9	-173	0	114.7	F146 C150	F146-K148 PolarHBondContact O-N 2.9Å; K148-C150 PolarHBondContact O-N 2.76Å; K148-C150 VanDerWaalsContact O-N 3.07Å; K148-C150 PolarHBondContact O-SG 2.82Å
149	G	76.4	Confident	90.3	Very high	39 Å²	39	34.7 Å²	34.7	40%	0.402	20%	0.195	S	C	.	.	S	Bend	trans	66.5	3.8	-179.5	0	0	0	0	0	115.7	F146 N147 Y151	F146-G149 PolarHBondContact O-N 3.16Å; N147-G149 PolarHBondContact O-N 2.79Å; N147-G149 VanDerWaalsContact O-N 3.14Å; G149-Y151 PolarHBondContact O-N 3.29Å
150	C	80.3	Confident	90.2	Very high	74 Å²	74	36.7 Å²	36.7	50%	0.5	21%	0.206	S	C	.	.	S	Bend	trans	-72.8	-16.6	-179.7	-52	0	0	0	0	113.5	T122 K148	T122-C150 WeakPolarHBondContact CB-O 3.4Å; T122-C150 WeakPolarHBondContact CG2-O 3.35Å; K148-C150 PolarHBondContact O-N 2.76Å; K148-C150 VanDerWaalsContact O-N 3.07Å; K148-C150 PolarHBondContact O-SG 2.82Å
151	Y	87.9	Confident	90.2	Very high	18 Å²	18	33.2 Å²	33.2	7%	0.071	19%	0.185	C	C	.	.	S	Bend	trans	-125.5	132.1	-178.4	-60.7	-101.8	0	0	0	108.3	I116 Y121 T122 L145 G149 I153	I116-Y151 HydrophobicContact CG2-CD1 4.45Å; I116-Y151 HydrophobicContact CG2-CE1 3.62Å; I116-Y151 PolarHBondContact O-OH 2.84Å; Y121-Y151 VanDerWaalsContact O-CE1 3.31Å; Y121-Y151 WeakPolarHBondContact O-CE1 3.34Å; T122-Y151 HydrophobicContact CG2-CE1 4.38Å; L145-Y151 HydrophobicContact CB-CD2 4.12Å; L145-Y151 HydrophobicContact CB-CG 4.34Å; L145-Y151 HydrophobicContact CD2-CD1 4.46Å; L145-Y151 HydrophobicContact CD2-CD2 4.15Å; L145-Y151 HydrophobicContact CD2-CE1 4.09Å; L145-Y151 HydrophobicContact CD2-CE2 3.76Å; L145-Y151 VanDerWaalsContact O-CD2 3.26Å; L145-Y151 WeakPolarHBondContact O-CD2 3.45Å; G149-Y151 PolarHBondContact O-N 3.29Å; Y151-I153 HydrophobicContact CG-CD1 4.5Å; Y151-I153 PolarHBondContact O-N 3.25Å
152	L	91.6	Very high	90	Very high	102 Å²	102	38 Å²	38	53%	0.534	21%	0.205	S	C	.	.			trans	-87.5	49.8	-174.3	-59.8	-177.2	0	0	0	111.9	T154 I180	L152-T154 PolarHBondContact O-N 2.85Å; L152-I180 HydrophobicContact CD2-CD1 3.91Å
153	I	93.8	Very high	89.9	Confident	1 Å²	1	38.4 Å²	38.4	1%	0.005	21%	0.207	C	C	.	.			trans	-73.1	113.1	-174.7	-63.2	158.1	0	0	0	110	I124 Q125 I127 L145 F146 Y151 I156 L181	I124-I153 HydrophobicContact CG2-CG1 4.46Å; Q125-I153 CarbonylContact O-C 3.29Å; Q125-I153 WeakPolarHBondContact O-CA 3.33Å; I127-I153 HydrophobicContact CD1-CD1 3.63Å; I127-I153 HydrophobicContact CD1-CG1 4.25Å; I127-I153 HydrophobicContact CG1-CD1 4.42Å; L145-I153 HydrophobicContact CB-CD1 3.81Å; L145-I153 HydrophobicContact CD1-CD1 4.36Å; F146-I153 HydrophobicContact CB-CB 4.27Å; F146-I153 HydrophobicContact CB-CD1 4.05Å; Y151-I153 HydrophobicContact CG-CD1 4.5Å; Y151-I153 PolarHBondContact O-N 3.25Å; I153-I156 HydrophobicContact CG2-CD1 4.11Å; I153-I156 HydrophobicContact CG2-CG1 3.7Å; I153-L181 HydrophobicContact CG2-CD1 4.36Å
154	T	94.7	Very high	89.8	Confident	50 Å²	50	41 Å²	41	31%	0.307	22%	0.22	S	C	.	.			trans	-101.1	-24	179.9	49.9	0	0	0	0	113.2	Q125 L152 I180 R182 E183	Q125-T154 PolarHBondContact O-N 3.28Å; Q125-T154 PolarHBondContact O-OG1 2.91Å; L152-T154 PolarHBondContact O-N 2.85Å; T154-I180 HydrophobicContact CG2-CG2 4.03Å; T154-R182 PolarHBondContact O-N 3.05Å; T154-E183 PolarHBondContact O-N 2.82Å
155	R	96.6	Very high	89.9	Confident	56 Å²	56	43.1 Å²	43.1	21%	0.211	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	130.7	-178.6	178	-174.9	-176.1	111.2	-5.2	110.9	Q125 E126 I127 E157 E183	Q125-R155 PolarHBondContact O-N 3.03Å; E126-R155 HydrophobicContact CB-CB 4.26Å; E126-R155 HydrophobicContact CG-CB 4.08Å; I127-R155 PolarHBondContact N-O 2.94Å; R155-E157 HydrophobicContact CG-CG 4.13Å; R155-E157 VanDerWaalsContact CZ-CD 3.46Å; R155-E157 IonicContact CZ-OE1 2.77Å; R155-E157 IonicContact CZ-OE2 3.22Å; R155-E157 IonicContact NE-OE1 2.76Å; R155-E157 IonicContact NE-OE2 3.57Å; R155-E157 PolarHBondContact NE-OE2 2.97Å; R155-E157 IonicContact NH2-OE1 3.06Å; R155-E157 PolarHBondContact NH2-OE1 3.5Å; R155-E157 IonicContact NH2-OE2 2.74Å; R155-E157 PolarHBondContact NH2-OE2 3.01Å; R155-E183 WeakPolarHBondContact CA-O 3.26Å; R155-E183 HydrophobicContact CB-CB 4.09Å; R155-E183 VanDerWaalsContact CD-OE2 3.26Å; R155-E183 WeakPolarHBondContact CD-OE2 3.48Å; R155-E183 HydrophobicContact CG-CB 4Å; R155-E183 WeakPolarHBondContact CG-OE2 3.34Å; R155-E183 IonicContact CZ-OE2 3.6Å; R155-E183 IonicContact NE-OE2 3.36Å; R155-E183 IonicContact NH1-OE2 2.75Å; R155-E183 PolarHBondContact NH1-OE2 3.25Å
156	I	96.2	Very high	90.1	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	127.5	169.5	-65.5	171.3	0	0	0	108.4	I127 F146 I153 L158 L181 E183 L184 S185	I127-I156 CarbonylContact O-C 3.45Å; I127-I156 WeakPolarHBondContact O-CA 3.2Å; F146-I156 HydrophobicContact CD1-CD1 3.54Å; F146-I156 HydrophobicContact CE1-CD1 3.3Å; F146-I156 HydrophobicContact CE2-CD1 4.48Å; F146-I156 HydrophobicContact CG-CD1 4.22Å; F146-I156 HydrophobicContact CZ-CD1 3.83Å; I153-I156 HydrophobicContact CG2-CD1 4.11Å; I153-I156 HydrophobicContact CG2-CG1 3.7Å; I156-L158 HydrophobicContact CG2-CD1 4.46Å; I156-L158 HydrophobicContact CG2-CD2 4.18Å; I156-L158 HydrophobicContact CG2-CG 4Å; I156-L181 HydrophobicContact CB-CD1 4.22Å; I156-L181 HydrophobicContact CD1-CD1 3.77Å; I156-L181 HydrophobicContact CD1-CD2 4.25Å; I156-L181 HydrophobicContact CG1-CD1 3.71Å; I156-E183 PolarHBondContact N-O 3.42Å; I156-L184 HydrophobicContact CB-CD1 4.15Å; I156-L184 HydrophobicContact CG2-CD1 4.13Å; I156-L184 CarbonylContact O-C 3.54Å; I156-L184 WeakPolarHBondContact O-CA 3.42Å; I156-S185 PolarHBondContact O-N 3.44Å
157	E	97.2	Very high	90.4	Very high	16 Å²	16	49.2 Å²	49.2	8%	0.075	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	122.8	171.8	-56.1	-173.4	111.6	0	0	109.2	I127 I128 I129 R155 I159 S185	I127-E157 PolarHBondContact O-N 3.18Å; I128-E157 WeakPolarHBondContact CA-O 3.37Å; I128-E157 HydrophobicContact CB-CB 4.43Å; I128-E157 VanDerWaalsContact CD1-OE2 3.23Å; I128-E157 WeakPolarHBondContact CD1-OE2 3.45Å; I128-E157 HydrophobicContact CG1-CB 4.21Å; I128-E157 HydrophobicContact CG1-CG 4.24Å; I128-E157 WeakPolarHBondContact CG1-OE2 3.46Å; I128-E157 HydrophobicContact CG2-CB 4.13Å; I129-E157 PolarHBondContact N-O 2.83Å; R155-E157 HydrophobicContact CG-CG 4.13Å; R155-E157 VanDerWaalsContact CZ-CD 3.46Å; R155-E157 IonicContact CZ-OE1 2.77Å; R155-E157 IonicContact CZ-OE2 3.22Å; R155-E157 IonicContact NE-OE1 2.76Å; R155-E157 IonicContact NE-OE2 3.57Å; R155-E157 PolarHBondContact NE-OE2 2.97Å; R155-E157 IonicContact NH2-OE1 3.06Å; R155-E157 PolarHBondContact NH2-OE1 3.5Å; R155-E157 IonicContact NH2-OE2 2.74Å; R155-E157 PolarHBondContact NH2-OE2 3.01Å; E157-I159 HydrophobicContact CB-CG1 4.45Å; E157-S185 WeakPolarHBondContact CA-O 3.48Å
158	L	96.4	Very high	91	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	92.7	176.1	-52.1	178.2	0	0	0	106.9	I129 I134 M139 L142 I156 C161 L163 L171 S185 L186 N189	I129-L158 HydrophobicContact CB-CD2 4.03Å; I129-L158 HydrophobicContact CD1-CD2 3.56Å; I129-L158 HydrophobicContact CG1-CD2 4.33Å; I129-L158 CarbonylContact O-C 3.6Å; I129-L158 WeakPolarHBondContact O-CA 3.33Å; I134-L158 HydrophobicContact CD1-CD1 4.48Å; I134-L158 HydrophobicContact CD1-CD2 3.94Å; M139-L158 HydrophobicContact CE-CD1 3.86Å; L142-L158 HydrophobicContact CD2-CD1 4.49Å; L142-L158 HydrophobicContact CD2-CD2 4.01Å; I156-L158 HydrophobicContact CG2-CD1 4.46Å; I156-L158 HydrophobicContact CG2-CD2 4.18Å; I156-L158 HydrophobicContact CG2-CG 4Å; L158-C161 VanDerWaalsContact C-SG 3.58Å; L158-C161 HydrophobicContact CB-CB 4.26Å; L158-L163 HydrophobicContact CB-CD1 4.05Å; L158-L163 HydrophobicContact CD1-CD1 3.88Å; L158-L163 HydrophobicContact CD1-CD2 4.3Å; L158-L171 HydrophobicContact CD1-CD1 4.4Å; L158-L171 HydrophobicContact CD1-CD2 4.16Å; L158-S185 PolarHBondContact N-O 3.47Å; L158-L186 HydrophobicContact CB-CD2 3.99Å; L158-L186 HydrophobicContact CD1-CD2 3.98Å; L158-L186 HydrophobicContact CG-CD2 4.19Å; L158-L186 WeakPolarHBondContact O-CA 3.42Å; L158-N189 PolarHBondContact O-ND2 2.94Å
159	I	95.4	Very high	92	Very high	32 Å²	32	45 Å²	45	16%	0.164	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	127.8	-173.1	-51.8	-169.8	0	0	0	109.7	I129 W130 D131 E157 C161 D187 F188	I129-I159 PolarHBondContact O-N 3.21Å; W130-I159 VanDerWaalsContact CA-O 3.31Å; W130-I159 WeakPolarHBondContact CA-O 3.36Å; W130-I159 HydrophobicContact CG-CB 4.35Å; D131-I159 PolarHBondContact N-O 2.94Å; E157-I159 HydrophobicContact CB-CG1 4.45Å; I159-C161 PolarHBondContact N-SG 3.03Å; I159-C161 VanDerWaalsContact N-SG 3.44Å; I159-C161 PolarHBondContact O-N 3.43Å; I159-C161 PolarHBondContact O-SG 2.9Å; I159-D187 VanDerWaalsContact CA-O 3.3Å; I159-D187 WeakPolarHBondContact CA-O 3.4Å; I159-D187 HydrophobicContact CD1-CB 4.48Å; I159-D187 HydrophobicContact CG1-CB 4.42Å; I159-D187 HydrophobicContact CG2-CB 4.19Å; I159-D187 WeakPolarHBondContact CG2-O 3.42Å; I159-F188 HydrophobicContact CG2-CB 4.34Å; I159-F188 HydrophobicContact CG2-CD2 3.78Å
160	D	93.1	Very high	92.8	Very high	42 Å²	42	45.9 Å²	45.9	23%	0.225	23%	0.226	C	C	.	.	S	Bend	trans	50.6	54.9	-178.3	-160.2	-14.4	0	0	0	111.6	R63 D131 D187 F188	R63-D160 IonicContact CZ-OD1 3.6Å; R63-D160 IonicContact CZ-OD2 2.65Å; R63-D160 IonicContact NH1-OD1 2.69Å; R63-D160 IonicContact NH1-OD2 2.71Å; R63-D160 PolarHBondContact NH1-OD2 2.61Å; R63-D160 IonicContact NH2-OD1 2.68Å; R63-D160 PolarHBondContact NH2-OD1 2.81Å; R63-D160 IonicContact NH2-OD2 3.72Å; R63-D160 PolarHBondContact NH2-OD2 3.48Å; D131-D160 VanDerWaalsContact CA-O 3.31Å; D131-D160 WeakPolarHBondContact CA-O 3.31Å; D131-D160 PolarHBondContact N-O 2.93Å; D160-D187 PolarHBondContact N-O 3.16Å; D160-D187 VanDerWaalsContact N-O 3.15Å; D160-F188 WeakPolarHBondContact CA-O 3.39Å; D160-F188 HydrophobicContact CB-CB 4.03Å
161	C	92.5	Very high	93.5	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	20%	0.202	C	C	.	.			trans	-112.1	9.4	-170.9	-72.1	0	0	0	0	113.7	I129 C132 I134 L158 I159 L163 N189	I129-C161 PolarHBondContact O-SG 3.3Å; I129-C161 VanDerWaalsContact O-SG 3.4Å; C132-C161 VanDerWaalsContact O-CA 3.29Å; C132-C161 WeakPolarHBondContact O-CA 3.44Å; I134-C161 HydrophobicContact CD1-CB 3.86Å; I134-C161 HydrophobicContact CG1-CB 4.16Å; I134-C161 PolarHBondContact N-O 3.16Å; L158-C161 VanDerWaalsContact C-SG 3.58Å; L158-C161 HydrophobicContact CB-CB 4.26Å; I159-C161 PolarHBondContact N-SG 3.03Å; I159-C161 VanDerWaalsContact N-SG 3.44Å; I159-C161 PolarHBondContact O-N 3.43Å; I159-C161 PolarHBondContact O-SG 2.9Å; C161-L163 VanDerWaalsContact C-N 3.27Å; C161-L163 HydrophobicContact CB-CD2 4.2Å; C161-L163 HydrophobicContact CB-CG 4.09Å; C161-L163 PolarHBondContact O-N 2.75Å; C161-N189 WeakPolarHBondContact CA-OD1 3.41Å; C161-N189 PolarHBondContact N-OD1 2.88Å
162	F	88.7	Confident	93.8	Very high	109 Å²	109	41.7 Å²	41.7	48%	0.478	20%	0.2	S	C	.	.			trans	51.2	39.9	179.2	-57.9	-84.9	0	0	0	114.3	R63 Y133 D164 N189	R63-F162 VanDerWaalsContact NH2-CZ 3.28Å; Y133-F162 HydrophobicContact CD2-CB 3.67Å; Y133-F162 HydrophobicContact CD2-CD2 4.06Å; Y133-F162 HydrophobicContact CD2-CG 4.02Å; Y133-F162 HydrophobicContact CE2-CB 3.97Å; F162-D164 PolarHBondContact O-N 2.87Å; F162-D164 VanDerWaalsContact O-N 3.12Å; F162-N189 PolarHBondContact N-OD1 3.49Å
163	L	92.5	Very high	93.8	Very high	8 Å²	8	39.4 Å²	39.4	4%	0.042	20%	0.196	C	C	.	.			trans	-66.1	109.2	-172.9	-64.9	178.8	0	0	0	113.3	I134 M139 L158 C161 C167 I168 L186 N189	I134-L163 HydrophobicContact CB-CD2 4.12Å; I134-L163 HydrophobicContact CD1-CD2 4.2Å; I134-L163 HydrophobicContact CG2-CD2 4.36Å; M139-L163 HydrophobicContact CE-CD2 3.51Å; L158-L163 HydrophobicContact CB-CD1 4.05Å; L158-L163 HydrophobicContact CD1-CD1 3.88Å; L158-L163 HydrophobicContact CD1-CD2 4.3Å; C161-L163 VanDerWaalsContact C-N 3.27Å; C161-L163 HydrophobicContact CB-CD2 4.2Å; C161-L163 HydrophobicContact CB-CG 4.09Å; C161-L163 PolarHBondContact O-N 2.75Å; L163-C167 HydrophobicContact CD2-CB 4.27Å; L163-I168 HydrophobicContact CB-CG1 4.25Å; L163-L186 HydrophobicContact CD1-CD2 3.88Å; L163-N189 HydrophobicContact CB-CB 4.39Å; L163-N189 WeakPolarHBondContact CG-OD1 3.33Å; L163-N189 PolarHBondContact N-OD1 2.93Å
164	D	89.7	Confident	93.7	Very high	57 Å²	57	40.4 Å²	40.4	31%	0.305	20%	0.201	S	C	.	.			trans	-69.3	163.7	174	92.5	-14	0	0	0	113	N136 F162 K166 C167 I168	N136-D164 PolarHBondContact ND2-OD1 3.04Å; N136-D164 PolarHBondContact ND2-OD2 2.98Å; F162-D164 PolarHBondContact O-N 2.87Å; F162-D164 VanDerWaalsContact O-N 3.12Å; D164-K166 PolarHBondContact O-N 3.4Å; D164-K166 WeakPolarHBondContact OD1-CA 3.45Å; D164-K166 VanDerWaalsContact OD1-CB 3.3Å; D164-K166 WeakPolarHBondContact OD1-CB 3.24Å; D164-K166 PolarHBondContact OD1-N 3.19Å; D164-C167 WeakPolarHBondContact O-CB 3.21Å; D164-C167 PolarHBondContact O-N 3.45Å; D164-C167 VanDerWaalsContact O-N 3.13Å; D164-C167 WeakPolarHBondContact OD1-CB 3.45Å; D164-C167 PolarHBondContact OD1-N 3.42Å; D164-I168 WeakPolarHBondContact O-CG1 3.33Å; D164-I168 PolarHBondContact O-N 3.32Å
165	T	91.8	Very high	93.7	Very high	67 Å²	67	38 Å²	38	41%	0.411	19%	0.187	S	C	.	.	H	α-helix	trans	-59.5	-18.9	-179.4	-36.3	0	0	0	0	113.7	R169 Q194 I198	T165-R169 WeakPolarHBondContact O-CB 3.31Å; T165-R169 PolarHBondContact O-N 3.15Å; T165-Q194 HydrophobicContact CG2-CG 4.37Å; T165-I198 HydrophobicContact CG2-CD1 3.41Å; T165-I198 VanDerWaalsContact CG2-CD1 3.41Å
166	K	92.9	Very high	93.4	Very high	131 Å²	131	36.4 Å²	36.4	57%	0.57	19%	0.185	S	C	*	.	H	α-helix	trans	-84.9	-45	176.8	-55.2	169.5	-172.3	158.1	0	110.4	N136 D164 I168 R169 L170	N136-K166 WeakPolarHBondContact OD1-CB 3.17Å; D164-K166 PolarHBondContact O-N 3.4Å; D164-K166 WeakPolarHBondContact OD1-CA 3.45Å; D164-K166 VanDerWaalsContact OD1-CB 3.3Å; D164-K166 WeakPolarHBondContact OD1-CB 3.24Å; D164-K166 PolarHBondContact OD1-N 3.19Å; K166-I168 VanDerWaalsContact C-N 3.31Å; K166-I168 PolarHBondContact O-N 3.32Å; K166-R169 WeakPolarHBondContact O-CB 3.42Å; K166-R169 PolarHBondContact O-N 2.9Å; K166-R169 VanDerWaalsContact O-N 3.12Å; K166-L170 WeakPolarHBondContact O-CG 3.42Å; K166-L170 PolarHBondContact O-N 3.44Å
167	C	94	Very high	93.1	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.007	21%	0.21	C	C	.	.	H	α-helix	trans	-55.3	-45.2	171.1	-79.3	0	0	0	0	111.2	M139 L163 D164 R169 L170 L171	M139-C167 HydrophobicContact CB-CB 4.32Å; M139-C167 HydrophobicContact CE-CB 3.98Å; M139-C167 HydrophobicContact CG-CB 4.16Å; L163-C167 HydrophobicContact CD2-CB 4.27Å; D164-C167 WeakPolarHBondContact O-CB 3.21Å; D164-C167 PolarHBondContact O-N 3.45Å; D164-C167 VanDerWaalsContact O-N 3.13Å; D164-C167 WeakPolarHBondContact OD1-CB 3.45Å; D164-C167 PolarHBondContact OD1-N 3.42Å; C167-R169 PolarHBondContact O-N 3.19Å; C167-L170 PolarHBondContact O-N 3.1Å; C167-L171 WeakPolarHBondContact O-CB 3.49Å; C167-L171 PolarHBondContact O-N 3.06Å
168	I	94.8	Very high	92.7	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.005	21%	0.208	C	C	.	.	H	α-helix	trans	-59.8	-47.4	174.1	-63.4	164.8	0	0	0	110.8	L163 D164 K166 L170 L171 V172 I191 I198 L199	L163-I168 HydrophobicContact CB-CG1 4.25Å; D164-I168 WeakPolarHBondContact O-CG1 3.33Å; D164-I168 PolarHBondContact O-N 3.32Å; K166-I168 VanDerWaalsContact C-N 3.31Å; K166-I168 PolarHBondContact O-N 3.32Å; I168-L170 PolarHBondContact O-N 2.91Å; I168-L171 PolarHBondContact O-N 3.33Å; I168-V172 HydrophobicContact CG2-CG2 4.19Å; I168-V172 WeakPolarHBondContact O-CB 3.31Å; I168-V172 WeakPolarHBondContact O-CG2 3.37Å; I168-V172 PolarHBondContact O-N 3.09Å; I168-I191 HydrophobicContact CD1-CB 4.31Å; I168-I191 HydrophobicContact CD1-CG1 3.9Å; I168-I191 HydrophobicContact CD1-CG2 4.24Å; I168-I198 HydrophobicContact CG2-CG2 4.34Å; I168-L199 HydrophobicContact CG2-CD1 4.29Å
169	R	94.8	Very high	92.3	Very high	142 Å²	142	47.3 Å²	47.3	54%	0.536	24%	0.236	S	C	.	.	H	α-helix	trans	-60.6	-43	178.4	-172.3	-178.6	-61.9	-81.5	1	112.5	T165 K166 C167 A173 I198	T165-R169 WeakPolarHBondContact O-CB 3.31Å; T165-R169 PolarHBondContact O-N 3.15Å; K166-R169 WeakPolarHBondContact O-CB 3.42Å; K166-R169 PolarHBondContact O-N 2.9Å; K166-R169 VanDerWaalsContact O-N 3.12Å; C167-R169 PolarHBondContact O-N 3.19Å; R169-A173 VanDerWaalsContact O-CB 3.3Å; R169-A173 WeakPolarHBondContact O-CB 3.05Å; R169-A173 PolarHBondContact O-N 2.88Å; R169-I198 HydrophobicContact CB-CG2 3.94Å; R169-I198 HydrophobicContact CG-CG2 4.26Å; R169-I198 VanDerWaalsContact NH2-CD1 3.25Å
170	L	93.9	Very high	92.1	Very high	56 Å²	56	47.8 Å²	47.8	29%	0.293	24%	0.239	S	C	.	.	H	α-helix	trans	-65.5	-49	177	-72	168.4	0	0	0	111.3	M139 V140 K166 C167 I168 V172 A173 N174	M139-L170 HydrophobicContact CG-CB 4.07Å; V140-L170 HydrophobicContact CG2-CD1 3.92Å; V140-L170 HydrophobicContact CG2-CD2 4.45Å; K166-L170 WeakPolarHBondContact O-CG 3.42Å; K166-L170 PolarHBondContact O-N 3.44Å; C167-L170 PolarHBondContact O-N 3.1Å; I168-L170 PolarHBondContact O-N 2.91Å; L170-V172 PolarHBondContact O-N 3.34Å; L170-A173 PolarHBondContact O-N 3.28Å; L170-N174 PolarHBondContact O-N 3.12Å; L170-N174 PolarHBondContact O-ND2 3.26Å
171	L	94.6	Very high	92.1	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-53.4	-54.7	177	179.9	68.6	0	0	0	110.7	M139 T143 F146 L158 C167 I168 A173 N174 I175 L186	M139-L171 HydrophobicContact CE-CB 4.32Å; M139-L171 HydrophobicContact SD-CB 3.93Å; M139-L171 HydrophobicContact SD-CD1 3.96Å; M139-L171 HydrophobicContact SD-CG 4.48Å; T143-L171 HydrophobicContact CG2-CD1 4.37Å; F146-L171 HydrophobicContact CZ-CD1 4.14Å; L158-L171 HydrophobicContact CD1-CD1 4.4Å; L158-L171 HydrophobicContact CD1-CD2 4.16Å; C167-L171 WeakPolarHBondContact O-CB 3.49Å; C167-L171 PolarHBondContact O-N 3.06Å; I168-L171 PolarHBondContact O-N 3.33Å; L171-A173 PolarHBondContact O-N 3.02Å; L171-N174 PolarHBondContact O-N 3.43Å; L171-I175 HydrophobicContact CD1-CD1 3.91Å; L171-I175 HydrophobicContact CD1-CG1 4.45Å; L171-I175 HydrophobicContact CD2-CD1 4.47Å; L171-I175 HydrophobicContact CG-CD1 3.82Å; L171-I175 WeakPolarHBondContact O-CG1 3.3Å; L171-I175 PolarHBondContact O-N 3.38Å; L171-L186 HydrophobicContact CD2-CD1 4.09Å; L171-L186 HydrophobicContact CD2-CD2 3.71Å
172	V	93.9	Very high	92.2	Very high	4 Å²	4	49.6 Å²	49.6	2%	0.024	24%	0.242	C	C	.	.	H	α-helix	trans	-65.2	-40.7	-175.5	174.4	0	0	0	0	111.9	I168 L170 N174 I175 A176 L199	I168-V172 HydrophobicContact CG2-CG2 4.19Å; I168-V172 WeakPolarHBondContact O-CB 3.31Å; I168-V172 WeakPolarHBondContact O-CG2 3.37Å; I168-V172 PolarHBondContact O-N 3.09Å; L170-V172 PolarHBondContact O-N 3.34Å; V172-N174 VanDerWaalsContact C-N 3.25Å; V172-N174 PolarHBondContact O-N 3.24Å; V172-I175 PolarHBondContact O-N 3.03Å; V172-A176 WeakPolarHBondContact O-CB 3.47Å; V172-A176 PolarHBondContact O-N 3.26Å; V172-L199 HydrophobicContact CG2-CB 4.4Å; V172-L199 HydrophobicContact CG2-CD1 3.64Å; V172-L199 HydrophobicContact CG2-CG 4.21Å
173	A	93	Very high	92.6	Very high	55 Å²	55	47.5 Å²	47.5	46%	0.455	23%	0.234	S	C	.	.	H	α-helix	trans	-60.6	-34.7	177	0	0	0	0	0	112.7	R169 L170 L171	R169-A173 VanDerWaalsContact O-CB 3.3Å; R169-A173 WeakPolarHBondContact O-CB 3.05Å; R169-A173 PolarHBondContact O-N 2.88Å; L170-A173 PolarHBondContact O-N 3.28Å; L171-A173 PolarHBondContact O-N 3.02Å
174	N	91.9	Very high	92.8	Very high	22 Å²	22	47.1 Å²	47.1	12%	0.118	23%	0.232	C	C	.	.	H	α-helix	trans	-80.4	-35.8	175.7	-72.1	-93.3	0	0	0	112	T143 F146 N147 L170 L171 V172 I177 S178	T143-N174 HydrophobicContact CG2-CB 4.09Å; F146-N174 HydrophobicContact CE2-CB 3.73Å; F146-N174 HydrophobicContact CZ-CB 4.22Å; N147-N174 HydrophobicContact CB-CB 4.35Å; N147-N174 VanDerWaalsContact CB-OD1 3.29Å; N147-N174 WeakPolarHBondContact CB-OD1 2.9Å; N147-N174 PolarHBondContact ND2-OD1 3.21Å; L170-N174 PolarHBondContact O-N 3.12Å; L170-N174 PolarHBondContact O-ND2 3.26Å; L171-N174 PolarHBondContact O-N 3.43Å; V172-N174 VanDerWaalsContact C-N 3.25Å; V172-N174 PolarHBondContact O-N 3.24Å; N174-I177 PolarHBondContact O-N 3.02Å; N174-S178 PolarHBondContact O-N 3.15Å
175	I	92.9	Very high	93.2	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-64.9	-39.3	175	-70	179.1	0	0	0	111.1	F146 L171 V172 I177 S178 L181 L184 L203 N206	F146-I175 HydrophobicContact CE2-CG1 3.78Å; F146-I175 HydrophobicContact CZ-CG1 4.03Å; L171-I175 HydrophobicContact CD1-CD1 3.91Å; L171-I175 HydrophobicContact CD1-CG1 4.45Å; L171-I175 HydrophobicContact CD2-CD1 4.47Å; L171-I175 HydrophobicContact CG-CD1 3.82Å; L171-I175 WeakPolarHBondContact O-CG1 3.3Å; L171-I175 PolarHBondContact O-N 3.38Å; V172-I175 PolarHBondContact O-N 3.03Å; I175-I177 PolarHBondContact O-N 2.73Å; I175-S178 WeakPolarHBondContact O-CB 3.38Å; I175-S178 PolarHBondContact O-N 3.26Å; I175-L181 HydrophobicContact CB-CD2 4.48Å; I175-L181 HydrophobicContact CD1-CD2 3.75Å; I175-L181 HydrophobicContact CG1-CD2 3.77Å; I175-L181 HydrophobicContact CG2-CD2 3.99Å; I175-L184 HydrophobicContact CD1-CD1 3.79Å; I175-L184 HydrophobicContact CD1-CD2 3.73Å; I175-L184 HydrophobicContact CD1-CG 4.36Å; I175-L203 HydrophobicContact CG2-CD2 3.65Å; I175-N206 PolarHBondContact O-ND2 3.5Å
176	A	91	Very high	93.5	Very high	22 Å²	22	41.3 Å²	41.3	18%	0.182	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-27.7	177	0	0	0	0	0	113.8	V172 R205	V172-A176 WeakPolarHBondContact O-CB 3.47Å; V172-A176 PolarHBondContact O-N 3.26Å; A176-R205 HydrophobicContact CB-CB 4.22Å
177	I	89.6	Confident	93.6	Very high	101 Å²	101	35.3 Å²	35.3	52%	0.518	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-22.9	179.7	-56.7	171.3	0	0	0	111.6	N174 I175 K179	N174-I177 PolarHBondContact O-N 3.02Å; I175-I177 PolarHBondContact O-N 2.73Å; I177-K179 PolarHBondContact O-N 3.48Å
178	S	89.1	Confident	93.7	Very high	4 Å²	4	39.9 Å²	39.9	3%	0.028	19%	0.193	C	C	.	.			trans	-69.2	122.6	-174.6	-175	0	0	0	0	113	N174 I175 L181 N206	N174-S178 PolarHBondContact O-N 3.15Å; I175-S178 WeakPolarHBondContact O-CB 3.38Å; I175-S178 PolarHBondContact O-N 3.26Å; S178-L181 PolarHBondContact OG-N 3.41Å; S178-N206 PolarHBondContact O-ND2 2.99Å
179	K	89.1	Confident	93.6	Very high	139 Å²	139	39.9 Å²	39.9	60%	0.604	19%	0.193	S	C	*	.	S	Bend	trans	-94	-5.9	177.8	-49.1	-169.3	-179.7	179.3	0	113.6	I177 R182 Y208	I177-K179 PolarHBondContact O-N 3.48Å; K179-R182 PolarHBondContact O-NH1 2.8Å; K179-R182 PolarHBondContact O-NH2 3.22Å; K179-Y208 HydrophobicContact CB-CD2 4.01Å; K179-Y208 HydrophobicContact CB-CE1 4.43Å; K179-Y208 HydrophobicContact CB-CE2 3.68Å; K179-Y208 HydrophobicContact CB-CG 4.48Å; K179-Y208 HydrophobicContact CD-CE2 4.09Å; K179-Y208 HydrophobicContact CG-CD2 4.15Å; K179-Y208 HydrophobicContact CG-CE2 3.58Å
180	I	90.9	Very high	93.5	Very high	42 Å²	42	42.1 Å²	42.1	22%	0.215	21%	0.209	C	C	.	.	S	Bend	trans	-106.8	-38.4	-168.7	-54.3	173.6	0	0	0	111.2	L152 T154 R182	L152-I180 HydrophobicContact CD2-CD1 3.91Å; T154-I180 HydrophobicContact CG2-CG2 4.03Å; I180-R182 PolarHBondContact O-N 3.16Å; I180-R182 PolarHBondContact O-NE 2.95Å
181	L	93.5	Very high	93.5	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.197	C	C	.	.			trans	-60.4	135.5	-177.8	-165.7	71.7	0	0	0	111.2	I153 I156 I175 S178 Y208 L209	I153-L181 HydrophobicContact CG2-CD1 4.36Å; I156-L181 HydrophobicContact CB-CD1 4.22Å; I156-L181 HydrophobicContact CD1-CD1 3.77Å; I156-L181 HydrophobicContact CD1-CD2 4.25Å; I156-L181 HydrophobicContact CG1-CD1 3.71Å; I175-L181 HydrophobicContact CB-CD2 4.48Å; I175-L181 HydrophobicContact CD1-CD2 3.75Å; I175-L181 HydrophobicContact CG1-CD2 3.77Å; I175-L181 HydrophobicContact CG2-CD2 3.99Å; S178-L181 PolarHBondContact OG-N 3.41Å; L181-Y208 CarbonylContact O-C 3.23Å; L181-L209 HydrophobicContact CD2-CD1 3.97Å; L181-L209 HydrophobicContact CG-CD1 3.99Å
182	R	94.5	Very high	93.4	Very high	80 Å²	80	40.8 Å²	40.8	30%	0.302	21%	0.207	S	C	.	.			trans	-121.3	-37.1	179.3	-56.2	-59.7	167.4	-132.8	-14.7	112	T154 K179 I180 Y208 L209 T210 Y211	T154-R182 PolarHBondContact O-N 3.05Å; K179-R182 PolarHBondContact O-NH1 2.8Å; K179-R182 PolarHBondContact O-NH2 3.22Å; I180-R182 PolarHBondContact O-N 3.16Å; I180-R182 PolarHBondContact O-NE 2.95Å; R182-Y208 WeakPolarHBondContact CD-O 3.19Å; R182-Y208 VanDerWaalsContact NH1-CB 3.26Å; R182-Y208 PolarHBondContact NH1-O 2.97Å; R182-L209 WeakPolarHBondContact O-CD1 3.21Å; R182-T210 PolarHBondContact O-N 3.44Å; R182-T210 PolarHBondContact O-OG1 3.48Å; R182-Y211 PolarHBondContact O-N 3.16Å
183	E	96.7	Very high	93.4	Very high	65 Å²	65	44.6 Å²	44.6	30%	0.304	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	126.2	-172.6	-59.1	171.7	-167.9	0	0	110.6	T154 R155 I156 Y211	T154-E183 PolarHBondContact O-N 2.82Å; R155-E183 WeakPolarHBondContact CA-O 3.26Å; R155-E183 HydrophobicContact CB-CB 4.09Å; R155-E183 VanDerWaalsContact CD-OE2 3.26Å; R155-E183 WeakPolarHBondContact CD-OE2 3.48Å; R155-E183 HydrophobicContact CG-CB 4Å; R155-E183 WeakPolarHBondContact CG-OE2 3.34Å; R155-E183 IonicContact CZ-OE2 3.6Å; R155-E183 IonicContact NE-OE2 3.36Å; R155-E183 IonicContact NH1-OE2 2.75Å; R155-E183 PolarHBondContact NH1-OE2 3.25Å; I156-E183 PolarHBondContact N-O 3.42Å; E183-Y211 HydrophobicContact CB-CD1 4.18Å; E183-Y211 HydrophobicContact CB-CG 4.47Å; E183-Y211 HydrophobicContact CG-CG 4.35Å
184	L	97.1	Very high	93.5	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.005	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	125.7	171	-175.8	65.9	0	0	0	109.6	I156 I175 L186 L209 Y211 L212 S213	I156-L184 HydrophobicContact CB-CD1 4.15Å; I156-L184 HydrophobicContact CG2-CD1 4.13Å; I156-L184 CarbonylContact O-C 3.54Å; I156-L184 WeakPolarHBondContact O-CA 3.42Å; I175-L184 HydrophobicContact CD1-CD1 3.79Å; I175-L184 HydrophobicContact CD1-CD2 3.73Å; I175-L184 HydrophobicContact CD1-CG 4.36Å; L184-L186 HydrophobicContact CD1-CD2 4.06Å; L184-L186 HydrophobicContact CD1-CG 4.36Å; L184-L186 HydrophobicContact CD2-CD1 4.22Å; L184-L186 HydrophobicContact CD2-CG 4.39Å; L184-L186 HydrophobicContact CG-CD2 4.42Å; L184-L186 HydrophobicContact CG-CG 4.17Å; L184-L209 HydrophobicContact CB-CD1 3.88Å; L184-L209 HydrophobicContact CB-CD2 4.21Å; L184-Y211 PolarHBondContact N-O 3.47Å; L184-L212 HydrophobicContact CB-CD1 4.27Å; L184-L212 HydrophobicContact CD2-CD1 3.95Å; L184-L212 HydrophobicContact CG-CD1 4.28Å; L184-L212 CarbonylContact O-C 3.44Å; L184-L212 WeakPolarHBondContact O-CA 3.48Å; L184-S213 PolarHBondContact O-N 3.4Å
185	S	97.6	Very high	93.6	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.007	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	131.2	165.1	-176.9	0	0	0	0	110.1	I156 E157 L158 D187	I156-S185 PolarHBondContact O-N 3.44Å; E157-S185 WeakPolarHBondContact CA-O 3.48Å; L158-S185 PolarHBondContact N-O 3.47Å; S185-D187 VanDerWaalsContact OG-CG 3.25Å; S185-D187 PolarHBondContact OG-OD1 3.31Å; S185-D187 PolarHBondContact OG-OD2 2.7Å
186	L	97.2	Very high	93.8	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	22%	0.223	C	C	.	.			trans	-125.4	27.2	172.7	-52.5	174.9	0	0	0	111	L158 L163 L171 L184 N189 I191 L199 S213 L214 C217	L158-L186 HydrophobicContact CB-CD2 3.99Å; L158-L186 HydrophobicContact CD1-CD2 3.98Å; L158-L186 HydrophobicContact CG-CD2 4.19Å; L158-L186 WeakPolarHBondContact O-CA 3.42Å; L163-L186 HydrophobicContact CD1-CD2 3.88Å; L171-L186 HydrophobicContact CD2-CD1 4.09Å; L171-L186 HydrophobicContact CD2-CD2 3.71Å; L184-L186 HydrophobicContact CD1-CD2 4.06Å; L184-L186 HydrophobicContact CD1-CG 4.36Å; L184-L186 HydrophobicContact CD2-CD1 4.22Å; L184-L186 HydrophobicContact CD2-CG 4.39Å; L184-L186 HydrophobicContact CG-CD2 4.42Å; L184-L186 HydrophobicContact CG-CG 4.17Å; L186-N189 VanDerWaalsContact C-ND2 3.33Å; L186-N189 PolarHBondContact O-N 3.32Å; L186-N189 PolarHBondContact O-ND2 2.89Å; L186-I191 HydrophobicContact CB-CD1 3.83Å; L186-I191 HydrophobicContact CD1-CD1 4.06Å; L186-L199 HydrophobicContact CD1-CD1 3.58Å; L186-S213 PolarHBondContact N-O 3.06Å; L186-L214 HydrophobicContact CB-CD2 4.01Å; L186-L214 HydrophobicContact CD1-CD2 4.18Å; L186-L214 HydrophobicContact CG-CD2 4.42Å; L186-C217 PolarHBondContact O-SG 3.29Å
187	D	96.6	Very high	94	Very high	6 Å²	6	50.9 Å²	50.9	3%	0.032	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.6	145.9	-178.7	-66.7	-8.7	0	0	0	112.5	I159 D160 S185 N189 S213 L214 R215	I159-D187 VanDerWaalsContact CA-O 3.3Å; I159-D187 WeakPolarHBondContact CA-O 3.4Å; I159-D187 HydrophobicContact CD1-CB 4.48Å; I159-D187 HydrophobicContact CG1-CB 4.42Å; I159-D187 HydrophobicContact CG2-CB 4.19Å; I159-D187 WeakPolarHBondContact CG2-O 3.42Å; D160-D187 PolarHBondContact N-O 3.16Å; D160-D187 VanDerWaalsContact N-O 3.15Å; S185-D187 VanDerWaalsContact OG-CG 3.25Å; S185-D187 PolarHBondContact OG-OD1 3.31Å; S185-D187 PolarHBondContact OG-OD2 2.7Å; D187-N189 VanDerWaalsContact C-N 3.27Å; D187-N189 PolarHBondContact O-N 2.9Å; D187-N189 PolarHBondContact O-ND2 2.84Å; D187-S213 VanDerWaalsContact CG-OG 3.26Å; D187-S213 VanDerWaalsContact OD1-CB 3.27Å; D187-S213 WeakPolarHBondContact OD1-CB 3.31Å; D187-S213 PolarHBondContact OD1-OG 2.77Å; D187-S213 PolarHBondContact OD2-OG 2.9Å; D187-L214 PolarHBondContact OD1-N 2.92Å; D187-R215 CarbonylContact C-O 3.53Å; D187-R215 WeakPolarHBondContact CA-O 3.49Å; D187-R215 HydrophobicContact CB-CB 4.02Å; D187-R215 WeakPolarHBondContact OD1-CB 3.29Å; D187-R215 WeakPolarHBondContact OD1-CG 3.31Å; D187-R215 PolarHBondContact OD1-N 3.18Å; D187-R215 WeakPolarHBondContact OD2-CD 3.31Å; D187-R215 IonicContact OD2-CZ 3.69Å; D187-R215 IonicContact OD2-NH1 2.75Å; D187-R215 PolarHBondContact OD2-NH1 3.39Å
188	F	94.9	Very high	94.3	Very high	97 Å²	97	46.8 Å²	46.8	43%	0.425	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.4	28.7	178.9	-57.2	-88.3	0	0	0	115	I159 D160 R215 F216	I159-F188 HydrophobicContact CG2-CB 4.34Å; I159-F188 HydrophobicContact CG2-CD2 3.78Å; D160-F188 WeakPolarHBondContact CA-O 3.39Å; D160-F188 HydrophobicContact CB-CB 4.03Å; F188-R215 PolarHBondContact N-O 2.94Å; F188-F216 WeakPolarHBondContact CA-O 3.5Å; F188-F216 HydrophobicContact CD1-CB 3.57Å; F188-F216 HydrophobicContact CD1-CD2 4.08Å; F188-F216 AromaticContact CD1-CG 4Å; F188-F216 HydrophobicContact CD1-CG 4Å; F188-F216 HydrophobicContact CE1-CB 3.69Å; F188-F216 HydrophobicContact CE1-CD1 4.43Å; F188-F216 AromaticContact CE1-CD2 3.31Å; F188-F216 HydrophobicContact CE1-CD2 3.31Å; F188-F216 HydrophobicContact CE1-CE2 4.05Å; F188-F216 AromaticContact CE1-CG 3.55Å; F188-F216 HydrophobicContact CE1-CG 3.55Å; F188-F216 HydrophobicContact CE2-CD2 4.1Å; F188-F216 HydrophobicContact CG-CB 4.18Å; F188-F216 HydrophobicContact CZ-CB 4.39Å; F188-F216 AromaticContact CZ-CD2 3.33Å; F188-F216 HydrophobicContact CZ-CD2 3.33Å; F188-F216 AromaticContact CZ-CE2 3.86Å; F188-F216 HydrophobicContact CZ-CE2 3.86Å; F188-F216 HydrophobicContact CZ-CG 4.07Å
189	N	93.8	Very high	94.6	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.005	21%	0.213	C	C	.	.			trans	-108.3	133.5	165.7	-62.3	-86.9	0	0	0	109.4	L158 C161 F162 L163 L186 D187 I191 C217	L158-N189 PolarHBondContact O-ND2 2.94Å; C161-N189 WeakPolarHBondContact CA-OD1 3.41Å; C161-N189 PolarHBondContact N-OD1 2.88Å; F162-N189 PolarHBondContact N-OD1 3.49Å; L163-N189 HydrophobicContact CB-CB 4.39Å; L163-N189 WeakPolarHBondContact CG-OD1 3.33Å; L163-N189 PolarHBondContact N-OD1 2.93Å; L186-N189 VanDerWaalsContact C-ND2 3.33Å; L186-N189 PolarHBondContact O-N 3.32Å; L186-N189 PolarHBondContact O-ND2 2.89Å; D187-N189 VanDerWaalsContact C-N 3.27Å; D187-N189 PolarHBondContact O-N 2.9Å; D187-N189 PolarHBondContact O-ND2 2.84Å; N189-I191 HydrophobicContact CB-CD1 4.44Å; N189-I191 HydrophobicContact CB-CG1 4.06Å; N189-I191 PolarHBondContact O-N 2.81Å; N189-C217 WeakPolarHBondContact O-CA 3.45Å; N189-C217 PolarHBondContact O-SG 2.9Å
190	E	91	Very high	95	Very high	188 Å²	188	40.2 Å²	40.2	88%	0.879	19%	0.186	S	C	*	.			trans	-73	62.5	179.2	-62	-176.3	163.2	0	0	112.3	G192	E190-G192 VanDerWaalsContact C-N 3.32Å; E190-G192 PolarHBondContact O-N 2.83Å
191	I	93.9	Very high	95.1	Very high	8 Å²	8	42.2 Å²	42.2	4%	0.041	20%	0.197	C	C	.	.			trans	-62.8	-40	-178.6	-70.5	173.5	0	0	0	110.6	I168 L186 N189 G195 C196 L214 C217 L219	I168-I191 HydrophobicContact CD1-CB 4.31Å; I168-I191 HydrophobicContact CD1-CG1 3.9Å; I168-I191 HydrophobicContact CD1-CG2 4.24Å; L186-I191 HydrophobicContact CB-CD1 3.83Å; L186-I191 HydrophobicContact CD1-CD1 4.06Å; N189-I191 HydrophobicContact CB-CD1 4.44Å; N189-I191 HydrophobicContact CB-CG1 4.06Å; N189-I191 PolarHBondContact O-N 2.81Å; I191-G195 VanDerWaalsContact CG2-C 3.41Å; I191-G195 WeakPolarHBondContact O-CA 3.33Å; I191-G195 PolarHBondContact O-N 3.21Å; I191-C196 HydrophobicContact CG2-CB 4.27Å; I191-C196 VanDerWaalsContact CG2-N 3.27Å; I191-L214 HydrophobicContact CD1-CD2 3.89Å; I191-C217 HydrophobicContact CB-CB 4.36Å; I191-C217 HydrophobicContact CD1-CB 4.35Å; I191-C217 PolarHBondContact N-O 2.91Å; I191-L219 HydrophobicContact CG2-CD2 4.41Å
192	G	93.1	Very high	95.1	Very high	20 Å²	20	42.8 Å²	42.8	21%	0.206	20%	0.203	C	C	.	.	H	α-helix	trans	60.8	-172.4	-179.8	0	0	0	0	0	113.8	E190 C196 C217 G218	E190-G192 VanDerWaalsContact C-N 3.32Å; E190-G192 PolarHBondContact O-N 2.83Å; G192-C196 WeakPolarHBondContact O-CB 3.39Å; G192-C196 PolarHBondContact O-N 3.4Å; G192-C217 PolarHBondContact N-O 3.11Å; G192-G218 WeakPolarHBondContact CA-O 3.43Å
193	E	94.4	Very high	95.1	Very high	85 Å²	85	39.1 Å²	39.1	40%	0.397	19%	0.189	S	C	.	.	H	α-helix	trans	-62	-48.3	179.5	-170	178.7	128.5	0	0	112.5	C196 R197 T220 Q222 W226	E193-C196 WeakPolarHBondContact O-CB 3.35Å; E193-C196 PolarHBondContact O-N 2.81Å; E193-R197 PolarHBondContact O-N 2.92Å; E193-T220 PolarHBondContact OE2-OG1 3.06Å; E193-Q222 HydrophobicContact CG-CB 4.26Å; E193-Q222 HydrophobicContact CG-CG 4.37Å; E193-W226 HydrophobicContact CG-CH2 3.56Å; E193-W226 HydrophobicContact CG-CZ3 3.51Å; E193-W226 WeakPolarHBondContact O-CZ3 3.14Å
194	Q	94.6	Very high	94.9	Very high	110 Å²	110	39.1 Å²	39.1	51%	0.514	19%	0.191	S	C	.	.	H	α-helix	trans	-69.2	-37.1	-175.7	178.5	65.5	-14.5	0	0	112.8	T165 I198	T165-Q194 HydrophobicContact CG2-CG 4.37Å; Q194-I198 HydrophobicContact CG-CD1 4.37Å; Q194-I198 WeakPolarHBondContact O-CD1 3.07Å; Q194-I198 WeakPolarHBondContact O-CG1 3.44Å; Q194-I198 PolarHBondContact O-N 3.11Å
195	G	94.8	Very high	94.5	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.01	23%	0.225	C	C	.	.	H	α-helix	trans	-68.8	-38.3	172.7	0	0	0	0	0	111.5	I191 I198 L199	I191-G195 VanDerWaalsContact CG2-C 3.41Å; I191-G195 WeakPolarHBondContact O-CA 3.33Å; I191-G195 PolarHBondContact O-N 3.21Å; G195-I198 PolarHBondContact O-N 2.83Å; G195-L199 WeakPolarHBondContact O-CB 3.34Å; G195-L199 PolarHBondContact O-N 2.93Å
196	C	96.1	Very high	94.2	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-61.7	-46.5	176.6	-173.9	0	0	0	0	111.4	I191 G192 E193 I198 L199 C200 L219 C223	I191-C196 HydrophobicContact CG2-CB 4.27Å; I191-C196 VanDerWaalsContact CG2-N 3.27Å; G192-C196 WeakPolarHBondContact O-CB 3.39Å; G192-C196 PolarHBondContact O-N 3.4Å; E193-C196 WeakPolarHBondContact O-CB 3.35Å; E193-C196 PolarHBondContact O-N 2.81Å; C196-I198 VanDerWaalsContact C-N 3.32Å; C196-I198 PolarHBondContact O-N 2.98Å; C196-L199 WeakPolarHBondContact O-CA 3.49Å; C196-L199 VanDerWaalsContact O-CB 3.26Å; C196-L199 WeakPolarHBondContact O-CB 3.42Å; C196-L199 PolarHBondContact O-N 3.02Å; C196-L199 VanDerWaalsContact O-N 3.1Å; C196-C200 PolarHBondContact O-N 2.77Å; C196-C200 PolarHBondContact O-SG 2.68Å; C196-L219 HydrophobicContact CB-CD2 3.64Å; C196-C223 HydrophobicContact CB-CB 4.41Å; C196-C223 VanDerWaalsContact CB-SG 3.55Å; C196-C223 VanDerWaalsContact SG-SG 3.65Å
197	R	96.1	Very high	93.8	Very high	120 Å²	120	52.9 Å²	52.9	45%	0.453	25%	0.247	S	C	.	.	H	α-helix	trans	-53.9	-48	174.5	-175.6	178.2	173	169.5	2.6	112.3	E193 L199 C200 D201 W226	E193-R197 PolarHBondContact O-N 2.92Å; R197-L199 VanDerWaalsContact C-N 3.31Å; R197-L199 PolarHBondContact O-N 2.77Å; R197-C200 PolarHBondContact O-N 2.81Å; R197-D201 IonicContact NE-OD2 2.77Å; R197-D201 WeakPolarHBondContact O-CB 3.37Å; R197-D201 VanDerWaalsContact O-CG 3.31Å; R197-D201 PolarHBondContact O-N 2.94Å; R197-W226 HydrophobicContact CB-CD2 4.22Å; R197-W226 HydrophobicContact CB-CE3 3.85Å; R197-W226 HydrophobicContact CB-CH2 3.94Å; R197-W226 HydrophobicContact CB-CZ2 4.26Å; R197-W226 HydrophobicContact CB-CZ3 3.72Å; R197-W226 HydrophobicContact CG-CD2 4.35Å; R197-W226 HydrophobicContact CG-CE3 4.47Å; R197-W226 HydrophobicContact CG-CH2 4.34Å; R197-W226 HydrophobicContact CG-CZ2 4.17Å; R197-W226 HydrophobicContact CG-CZ3 4.47Å
198	I	95.9	Very high	93.6	Very high	15 Å²	15	54.2 Å²	54.2	8%	0.077	25%	0.252	C	S	.	.	H	α-helix	trans	-64.8	-36.1	179.1	-67.6	162.5	0	0	0	111.5	T165 I168 R169 Q194 G195 C196	T165-I198 HydrophobicContact CG2-CD1 3.41Å; T165-I198 VanDerWaalsContact CG2-CD1 3.41Å; I168-I198 HydrophobicContact CG2-CG2 4.34Å; R169-I198 HydrophobicContact CB-CG2 3.94Å; R169-I198 HydrophobicContact CG-CG2 4.26Å; R169-I198 VanDerWaalsContact NH2-CD1 3.25Å; Q194-I198 HydrophobicContact CG-CD1 4.37Å; Q194-I198 WeakPolarHBondContact O-CD1 3.07Å; Q194-I198 WeakPolarHBondContact O-CG1 3.44Å; Q194-I198 PolarHBondContact O-N 3.11Å; G195-I198 PolarHBondContact O-N 2.83Å; C196-I198 VanDerWaalsContact C-N 3.32Å; C196-I198 PolarHBondContact O-N 2.98Å
199	L	96	Very high	93.6	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-60.7	-49	171.8	-163.7	95.2	0	0	0	110.9	I168 V172 L186 G195 C196 R197 L203 L212 L214	I168-L199 HydrophobicContact CG2-CD1 4.29Å; V172-L199 HydrophobicContact CG2-CB 4.4Å; V172-L199 HydrophobicContact CG2-CD1 3.64Å; V172-L199 HydrophobicContact CG2-CG 4.21Å; L186-L199 HydrophobicContact CD1-CD1 3.58Å; G195-L199 WeakPolarHBondContact O-CB 3.34Å; G195-L199 PolarHBondContact O-N 2.93Å; C196-L199 WeakPolarHBondContact O-CA 3.49Å; C196-L199 VanDerWaalsContact O-CB 3.26Å; C196-L199 WeakPolarHBondContact O-CB 3.42Å; C196-L199 PolarHBondContact O-N 3.02Å; C196-L199 VanDerWaalsContact O-N 3.1Å; R197-L199 VanDerWaalsContact C-N 3.31Å; R197-L199 PolarHBondContact O-N 2.77Å; L199-L203 HydrophobicContact CD1-CD1 4.49Å; L199-L203 HydrophobicContact CD2-CD1 3.86Å; L199-L203 HydrophobicContact CG-CD1 3.75Å; L199-L203 HydrophobicContact CG-CG 4.29Å; L199-L203 VanDerWaalsContact O-CB 3.26Å; L199-L203 WeakPolarHBondContact O-CB 3.26Å; L199-L203 VanDerWaalsContact O-CG 3.27Å; L199-L203 WeakPolarHBondContact O-CG 3.41Å; L199-L203 PolarHBondContact O-N 3.19Å; L199-L212 HydrophobicContact CD2-CD1 4.41Å; L199-L212 HydrophobicContact CD2-CD2 4.32Å; L199-L214 HydrophobicContact CD2-CD1 3.75Å; L199-L214 HydrophobicContact CD2-CD2 3.89Å; L199-L214 HydrophobicContact CD2-CG 4.42Å
200	C	95.5	Very high	93.7	Very high	5 Å²	5	51.7 Å²	51.7	3%	0.034	24%	0.244	C	C	.	.	H	α-helix	trans	-63.4	-51.6	-179.1	-59.6	0	0	0	0	112.6	C196 R197 G202 L203 I204 W226 I230	C196-C200 PolarHBondContact O-N 2.77Å; C196-C200 PolarHBondContact O-SG 2.68Å; R197-C200 PolarHBondContact O-N 2.81Å; C200-G202 PolarHBondContact O-N 3.25Å; C200-L203 PolarHBondContact O-N 3.04Å; C200-I204 WeakPolarHBondContact O-CB 3.44Å; C200-I204 PolarHBondContact O-N 3.48Å; C200-I204 VanDerWaalsContact O-N 3.09Å; C200-W226 HydrophobicContact CB-CB 3.75Å; C200-W226 WeakPolarHBondContact SG-CB 3.36Å; C200-I230 HydrophobicContact CB-CD1 3.97Å; C200-I230 HydrophobicContact CB-CG1 4.02Å
201	D	94.6	Very high	94	Very high	84 Å²	84	44.7 Å²	44.7	45%	0.449	21%	0.21	S	C	.	.	H	α-helix	trans	-58.9	-20.7	-175.5	-74.5	-16.3	0	0	0	113.6	R197 I204	R197-D201 IonicContact NE-OD2 2.77Å; R197-D201 WeakPolarHBondContact O-CB 3.37Å; R197-D201 VanDerWaalsContact O-CG 3.31Å; R197-D201 PolarHBondContact O-N 2.94Å; D201-I204 WeakPolarHBondContact O-CG2 3.23Å
202	G	92.8	Very high	94.2	Very high	12 Å²	12	44.3 Å²	44.3	12%	0.124	21%	0.208	C	C	.	.	H	α-helix	trans	-106.7	-35.8	174.4	0	0	0	0	0	115	C200 I204 R205	C200-G202 PolarHBondContact O-N 3.25Å; G202-I204 PolarHBondContact O-N 3.47Å; G202-R205 WeakPolarHBondContact O-CB 3.47Å; G202-R205 PolarHBondContact O-N 3.44Å; G202-R205 VanDerWaalsContact O-N 3.17Å
203	L	94.3	Very high	94.4	Very high	2 Å²	2	43.4 Å²	43.4	1%	0.01	20%	0.198	C	C	.	.	H	α-helix	trans	-62.9	-28.5	175.6	-77.7	-175.3	0	0	0	112.6	I175 L199 C200 R205 N206 L209 L212 I230 T234	I175-L203 HydrophobicContact CG2-CD2 3.65Å; L199-L203 HydrophobicContact CD1-CD1 4.49Å; L199-L203 HydrophobicContact CD2-CD1 3.86Å; L199-L203 HydrophobicContact CG-CD1 3.75Å; L199-L203 HydrophobicContact CG-CG 4.29Å; L199-L203 VanDerWaalsContact O-CB 3.26Å; L199-L203 WeakPolarHBondContact O-CB 3.26Å; L199-L203 VanDerWaalsContact O-CG 3.27Å; L199-L203 WeakPolarHBondContact O-CG 3.41Å; L199-L203 PolarHBondContact O-N 3.19Å; C200-L203 PolarHBondContact O-N 3.04Å; L203-R205 PolarHBondContact O-N 3.13Å; L203-N206 WeakPolarHBondContact O-CB 3.18Å; L203-N206 PolarHBondContact O-N 3.31Å; L203-L209 HydrophobicContact CD1-CD2 4.36Å; L203-L209 HydrophobicContact CD2-CD2 3.96Å; L203-L212 HydrophobicContact CD1-CD1 4.33Å; L203-L212 HydrophobicContact CD1-CD2 3.93Å; L203-I230 HydrophobicContact CB-CD1 4.26Å; L203-I230 HydrophobicContact CB-CG2 4.42Å; L203-I230 HydrophobicContact CD1-CD1 4.26Å; L203-T234 WeakPolarHBondContact O-CG2 3.42Å
204	I	92.3	Very high	94.5	Very high	66 Å²	66	39.3 Å²	39.3	34%	0.338	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-22.8	173.5	-159.1	166.4	0	0	0	113.8	C200 D201 G202 E233	C200-I204 WeakPolarHBondContact O-CB 3.44Å; C200-I204 PolarHBondContact O-N 3.48Å; C200-I204 VanDerWaalsContact O-N 3.09Å; D201-I204 WeakPolarHBondContact O-CG2 3.23Å; G202-I204 PolarHBondContact O-N 3.47Å; I204-E233 WeakPolarHBondContact CD1-OE2 3.44Å; I204-E233 HydrophobicContact CG1-CB 4.32Å
205	R	89.5	Confident	94.6	Very high	190 Å²	190	36.9 Å²	36.9	72%	0.717	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-12.5	178.1	-53.9	-179.3	-170.9	-165.8	-1.4	113.3	A176 G202 L203	A176-R205 HydrophobicContact CB-CB 4.22Å; G202-R205 WeakPolarHBondContact O-CB 3.47Å; G202-R205 PolarHBondContact O-N 3.44Å; G202-R205 VanDerWaalsContact O-N 3.17Å; L203-R205 PolarHBondContact O-N 3.13Å
206	N	91.1	Very high	94.7	Very high	2 Å²	2	41.2 Å²	41.2	1%	0.011	18%	0.184	C	C	.	.			trans	-93.8	119.5	-175.8	-171.6	-65.6	0	0	0	111.4	I175 S178 L203 Y208 L209	I175-N206 PolarHBondContact O-ND2 3.5Å; S178-N206 PolarHBondContact O-ND2 2.99Å; L203-N206 WeakPolarHBondContact O-CB 3.18Å; L203-N206 PolarHBondContact O-N 3.31Å; N206-Y208 WeakPolarHBondContact OD1-CA 3.37Å; N206-Y208 WeakPolarHBondContact OD1-CB 3.49Å; N206-Y208 PolarHBondContact OD1-N 3.26Å; N206-L209 PolarHBondContact OD1-N 3.49Å
207	Q	89.7	Confident	94.7	Very high	99 Å²	99	41.2 Å²	41.2	46%	0.463	18%	0.184	S	C	.	.	S	Bend	trans	-101.8	23.6	-179.9	-61.6	-179.7	-15.6	0	0	113	F348 P349	Q207-F348 HydrophobicContact CB-CD1 4.49Å; Q207-P349 WeakPolarHBondContact O-CD 3.4Å; Q207-P349 WeakPolarHBondContact O-CG 3.14Å
208	Y	92.4	Very high	94.6	Very high	33 Å²	33	37.7 Å²	37.7	13%	0.129	19%	0.185	C	C	.	.	S	Bend	trans	-138	-29.8	-159.7	-73.5	-59.5	0	0	0	114.2	K179 L181 R182 N206 F348	K179-Y208 HydrophobicContact CB-CD2 4.01Å; K179-Y208 HydrophobicContact CB-CE1 4.43Å; K179-Y208 HydrophobicContact CB-CE2 3.68Å; K179-Y208 HydrophobicContact CB-CG 4.48Å; K179-Y208 HydrophobicContact CD-CE2 4.09Å; K179-Y208 HydrophobicContact CG-CD2 4.15Å; K179-Y208 HydrophobicContact CG-CE2 3.58Å; L181-Y208 CarbonylContact O-C 3.23Å; R182-Y208 WeakPolarHBondContact CD-O 3.19Å; R182-Y208 VanDerWaalsContact NH1-CB 3.26Å; R182-Y208 PolarHBondContact NH1-O 2.97Å; N206-Y208 WeakPolarHBondContact OD1-CA 3.37Å; N206-Y208 WeakPolarHBondContact OD1-CB 3.49Å; N206-Y208 PolarHBondContact OD1-N 3.26Å; Y208-F348 AromaticContact CE1-CD1 3.72Å; Y208-F348 HydrophobicContact CE1-CD1 3.72Å; Y208-F348 HydrophobicContact CE1-CE1 4.08Å; Y208-F348 HydrophobicContact CE2-CE1 4.4Å; Y208-F348 AromaticContact CZ-CD1 3.74Å; Y208-F348 AromaticContact CZ-CE1 3.62Å; Y208-F348 WeakPolarHBondContact OH-CE1 3.38Å
209	L	94.5	Very high	94.6	Very high	3 Å²	3	37 Å²	37	2%	0.016	18%	0.181	C	C	.	.			trans	-71	129.9	172.7	-166.9	77	0	0	0	109.3	L181 R182 L184 L203 N206 A235 I236	L181-L209 HydrophobicContact CD2-CD1 3.97Å; L181-L209 HydrophobicContact CG-CD1 3.99Å; R182-L209 WeakPolarHBondContact O-CD1 3.21Å; L184-L209 HydrophobicContact CB-CD1 3.88Å; L184-L209 HydrophobicContact CB-CD2 4.21Å; L203-L209 HydrophobicContact CD1-CD2 4.36Å; L203-L209 HydrophobicContact CD2-CD2 3.96Å; N206-L209 PolarHBondContact OD1-N 3.49Å; L209-A235 CarbonylContact O-C 3.59Å; L209-I236 HydrophobicContact CD2-CD1 4.17Å; L209-I236 HydrophobicContact CD2-CG1 4.43Å; L209-I236 PolarHBondContact O-N 3.25Å
210	T	95.5	Very high	94.6	Very high	42 Å²	42	39.2 Å²	39.2	26%	0.258	20%	0.195	S	C	.	.			trans	-117	-21.6	-176.6	49.9	0	0	0	0	113.1	R182 R237 E238 P349	R182-T210 PolarHBondContact O-N 3.44Å; R182-T210 PolarHBondContact O-OG1 3.48Å; T210-R237 PolarHBondContact O-N 2.95Å; T210-E238 PolarHBondContact O-N 2.74Å; T210-P349 HydrophobicContact CG2-CB 4.2Å; T210-P349 HydrophobicContact CG2-CG 4.32Å
211	Y	97	Very high	94.5	Very high	41 Å²	41	42.2 Å²	42.2	16%	0.161	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	130.4	179.9	175.5	-78	0	0	0	110.3	R182 E183 L184 E238 I240	R182-Y211 PolarHBondContact O-N 3.16Å; E183-Y211 HydrophobicContact CB-CD1 4.18Å; E183-Y211 HydrophobicContact CB-CG 4.47Å; E183-Y211 HydrophobicContact CG-CG 4.35Å; L184-Y211 PolarHBondContact N-O 3.47Å; Y211-E238 WeakPolarHBondContact CA-O 3.08Å; Y211-E238 HydrophobicContact CD2-CB 3.56Å; Y211-E238 HydrophobicContact CD2-CG 4.39Å; Y211-E238 HydrophobicContact CE2-CB 4.3Å; Y211-E238 HydrophobicContact CG-CB 4.29Å; Y211-I240 HydrophobicContact CE2-CD1 4.31Å; Y211-I240 HydrophobicContact CE2-CG1 4.05Å
212	L	97.4	Very high	94.5	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.005	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	128.6	174	178.2	61.7	0	0	0	110	L184 L199 L203 L214 I236 E238 L239 I240	L184-L212 HydrophobicContact CB-CD1 4.27Å; L184-L212 HydrophobicContact CD2-CD1 3.95Å; L184-L212 HydrophobicContact CG-CD1 4.28Å; L184-L212 CarbonylContact O-C 3.44Å; L184-L212 WeakPolarHBondContact O-CA 3.48Å; L199-L212 HydrophobicContact CD2-CD1 4.41Å; L199-L212 HydrophobicContact CD2-CD2 4.32Å; L203-L212 HydrophobicContact CD1-CD1 4.33Å; L203-L212 HydrophobicContact CD1-CD2 3.93Å; L212-L214 HydrophobicContact CD1-CD2 4.12Å; L212-L214 HydrophobicContact CD1-CG 4.2Å; L212-L214 HydrophobicContact CD2-CD1 4.22Å; L212-L214 HydrophobicContact CG-CD1 4.38Å; L212-L214 HydrophobicContact CG-CG 4.18Å; L212-I236 HydrophobicContact CB-CD1 4.01Å; L212-I236 HydrophobicContact CB-CG2 4.37Å; L212-I236 HydrophobicContact CD2-CD1 3.93Å; L212-E238 PolarHBondContact N-O 2.67Å; L212-L239 HydrophobicContact CB-CD1 3.93Å; L212-L239 HydrophobicContact CD2-CD1 3.9Å; L212-L239 HydrophobicContact CG-CD1 3.94Å; L212-L239 WeakPolarHBondContact O-CA 3.42Å; L212-I240 PolarHBondContact O-N 3.23Å
213	S	97.9	Very high	94.6	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	126.4	175.5	-165.4	0	0	0	0	110.8	L184 L186 D187 R215 I240	L184-S213 PolarHBondContact O-N 3.4Å; L186-S213 PolarHBondContact N-O 3.06Å; D187-S213 VanDerWaalsContact CG-OG 3.26Å; D187-S213 VanDerWaalsContact OD1-CB 3.27Å; D187-S213 WeakPolarHBondContact OD1-CB 3.31Å; D187-S213 PolarHBondContact OD1-OG 2.77Å; D187-S213 PolarHBondContact OD2-OG 2.9Å; S213-R215 PolarHBondContact OG-NH1 3.14Å; S213-I240 WeakPolarHBondContact OG-CB 3.25Å
214	L	97.4	Very high	94.7	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.199	C	C	.	.			trans	-136.2	48.9	-179.2	-54.7	172.7	0	0	0	109.7	L186 D187 I191 L199 L212 C217 L219 L227 I240 L241 N244	L186-L214 HydrophobicContact CB-CD2 4.01Å; L186-L214 HydrophobicContact CD1-CD2 4.18Å; L186-L214 HydrophobicContact CG-CD2 4.42Å; D187-L214 PolarHBondContact OD1-N 2.92Å; I191-L214 HydrophobicContact CD1-CD2 3.89Å; L199-L214 HydrophobicContact CD2-CD1 3.75Å; L199-L214 HydrophobicContact CD2-CD2 3.89Å; L199-L214 HydrophobicContact CD2-CG 4.42Å; L212-L214 HydrophobicContact CD1-CD2 4.12Å; L212-L214 HydrophobicContact CD1-CG 4.2Å; L212-L214 HydrophobicContact CD2-CD1 4.22Å; L212-L214 HydrophobicContact CG-CD1 4.38Å; L212-L214 HydrophobicContact CG-CG 4.18Å; L214-C217 VanDerWaalsContact CA-SG 3.57Å; L214-C217 HydrophobicContact CB-CB 4.27Å; L214-C217 WeakPolarHBondContact O-CB 3.46Å; L214-C217 PolarHBondContact O-SG 3.15Å; L214-L219 HydrophobicContact CB-CD1 3.96Å; L214-L219 HydrophobicContact CD1-CD1 4.1Å; L214-L227 HydrophobicContact CD1-CD2 4.07Å; L214-I240 PolarHBondContact N-O 2.91Å; L214-L241 HydrophobicContact CB-CD2 4.12Å; L214-L241 HydrophobicContact CD1-CD2 4.24Å; L214-N244 PolarHBondContact O-ND2 2.77Å
215	R	96.7	Very high	94.8	Very high	58 Å²	58	42.3 Å²	42.3	22%	0.219	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	144.7	177	-59	-174.4	174.7	85.4	6.6	111.2	D187 F188 S213 C217 I240 D242	D187-R215 CarbonylContact C-O 3.53Å; D187-R215 WeakPolarHBondContact CA-O 3.49Å; D187-R215 HydrophobicContact CB-CB 4.02Å; D187-R215 WeakPolarHBondContact OD1-CB 3.29Å; D187-R215 WeakPolarHBondContact OD1-CG 3.31Å; D187-R215 PolarHBondContact OD1-N 3.18Å; D187-R215 WeakPolarHBondContact OD2-CD 3.31Å; D187-R215 IonicContact OD2-CZ 3.69Å; D187-R215 IonicContact OD2-NH1 2.75Å; D187-R215 PolarHBondContact OD2-NH1 3.39Å; F188-R215 PolarHBondContact N-O 2.94Å; S213-R215 PolarHBondContact OG-NH1 3.14Å; R215-C217 VanDerWaalsContact C-N 3.26Å; R215-C217 PolarHBondContact O-N 3.23Å; R215-C217 PolarHBondContact O-SG 3.48Å; R215-I240 HydrophobicContact CG-CG2 3.77Å; R215-D242 CarbonylContact C-O 3.52Å; R215-D242 WeakPolarHBondContact CA-O 3.37Å; R215-D242 HydrophobicContact CB-CB 4.43Å; R215-D242 VanDerWaalsContact CB-O 3.32Å; R215-D242 WeakPolarHBondContact CB-O 3.33Å; R215-D242 HydrophobicContact CG-CB 3.86Å; R215-D242 IonicContact CZ-OD2 2.71Å; R215-D242 IonicContact NE-OD2 3.98Å; R215-D242 PolarHBondContact NE-OD2 3.23Å; R215-D242 IonicContact NH2-OD2 2.85Å; R215-D242 PolarHBondContact NH2-OD2 2.76Å
216	F	96	Very high	95.1	Very high	93 Å²	93	35 Å²	35	41%	0.408	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.3	49.1	173.9	-60.6	-80	0	0	0	112.4	F188 D242 G243	F188-F216 WeakPolarHBondContact CA-O 3.5Å; F188-F216 HydrophobicContact CD1-CB 3.57Å; F188-F216 HydrophobicContact CD1-CD2 4.08Å; F188-F216 AromaticContact CD1-CG 4Å; F188-F216 HydrophobicContact CD1-CG 4Å; F188-F216 HydrophobicContact CE1-CB 3.69Å; F188-F216 HydrophobicContact CE1-CD1 4.43Å; F188-F216 AromaticContact CE1-CD2 3.31Å; F188-F216 HydrophobicContact CE1-CD2 3.31Å; F188-F216 HydrophobicContact CE1-CE2 4.05Å; F188-F216 AromaticContact CE1-CG 3.55Å; F188-F216 HydrophobicContact CE1-CG 3.55Å; F188-F216 HydrophobicContact CE2-CD2 4.1Å; F188-F216 HydrophobicContact CG-CB 4.18Å; F188-F216 HydrophobicContact CZ-CB 4.39Å; F188-F216 AromaticContact CZ-CD2 3.33Å; F188-F216 HydrophobicContact CZ-CD2 3.33Å; F188-F216 AromaticContact CZ-CE2 3.86Å; F188-F216 HydrophobicContact CZ-CE2 3.86Å; F188-F216 HydrophobicContact CZ-CG 4.07Å; F216-D242 PolarHBondContact N-O 3.05Å; F216-G243 WeakPolarHBondContact CA-O 3.38Å; F216-G243 PolarHBondContact N-O 3.37Å
217	C	95.7	Very high	95.3	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.175	C	C	.	.	S	Bend	trans	-109.3	6.5	-172.4	-77.1	0	0	0	0	114.1	L186 N189 I191 G192 L214 R215 L219 N244	L186-C217 PolarHBondContact O-SG 3.29Å; N189-C217 WeakPolarHBondContact O-CA 3.45Å; N189-C217 PolarHBondContact O-SG 2.9Å; I191-C217 HydrophobicContact CB-CB 4.36Å; I191-C217 HydrophobicContact CD1-CB 4.35Å; I191-C217 PolarHBondContact N-O 2.91Å; G192-C217 PolarHBondContact N-O 3.11Å; L214-C217 VanDerWaalsContact CA-SG 3.57Å; L214-C217 HydrophobicContact CB-CB 4.27Å; L214-C217 WeakPolarHBondContact O-CB 3.46Å; L214-C217 PolarHBondContact O-SG 3.15Å; R215-C217 VanDerWaalsContact C-N 3.26Å; R215-C217 PolarHBondContact O-N 3.23Å; R215-C217 PolarHBondContact O-SG 3.48Å; C217-L219 VanDerWaalsContact C-N 3.29Å; C217-L219 HydrophobicContact CB-CD1 4.41Å; C217-L219 HydrophobicContact CB-CD2 4.2Å; C217-L219 HydrophobicContact CB-CG 3.93Å; C217-L219 PolarHBondContact O-N 3.38Å; C217-N244 PolarHBondContact N-OD1 3.42Å
218	G	94.5	Very high	95.5	Very high	45 Å²	45	30.3 Å²	30.3	46%	0.464	15%	0.153	S	C	.	.			trans	66.5	28.3	-177.4	0	0	0	0	0	113.5	G192 T220 N244	G192-G218 WeakPolarHBondContact CA-O 3.43Å; G218-T220 PolarHBondContact O-N 3.15Å; G218-N244 PolarHBondContact N-OD1 3.45Å
219	L	96.4	Very high	95.6	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.156	C	C	.	.			trans	-73.9	122.2	-177.7	-54.5	178.6	0	0	0	110.6	I191 C196 L214 C217 C223 L227 L241 N244 S245 L246	I191-L219 HydrophobicContact CG2-CD2 4.41Å; C196-L219 HydrophobicContact CB-CD2 3.64Å; L214-L219 HydrophobicContact CB-CD1 3.96Å; L214-L219 HydrophobicContact CD1-CD1 4.1Å; C217-L219 VanDerWaalsContact C-N 3.29Å; C217-L219 HydrophobicContact CB-CD1 4.41Å; C217-L219 HydrophobicContact CB-CD2 4.2Å; C217-L219 HydrophobicContact CB-CG 3.93Å; C217-L219 PolarHBondContact O-N 3.38Å; L219-C223 HydrophobicContact CB-CB 4.16Å; L219-L227 HydrophobicContact CD1-CD1 4.32Å; L219-L241 HydrophobicContact CD1-CD2 3.91Å; L219-N244 HydrophobicContact CB-CB 4.03Å; L219-N244 WeakPolarHBondContact CG-OD1 3.42Å; L219-N244 PolarHBondContact N-OD1 3.29Å; L219-S245 CarbonylContact O-C 3.59Å; L219-S245 VanDerWaalsContact O-C 3.23Å; L219-S245 WeakPolarHBondContact O-CA 3.3Å; L219-S245 PolarHBondContact O-N 2.83Å; L219-L246 HydrophobicContact CB-CD2 3.98Å
220	T	94.9	Very high	95.5	Very high	48 Å²	48	30.5 Å²	30.5	29%	0.294	16%	0.157	S	C	.	.	B	Isolated β-bridge	trans	-83.7	165.2	174.2	60.5	0	0	0	0	111.4	E193 G218 Q222 C223 S245 L246	E193-T220 PolarHBondContact OE2-OG1 3.06Å; G218-T220 PolarHBondContact O-N 3.15Å; T220-Q222 PolarHBondContact O-N 3.36Å; T220-Q222 VanDerWaalsContact O-N 3.08Å; T220-C223 WeakPolarHBondContact O-CB 3.44Å; T220-C223 PolarHBondContact O-N 3.25Å; T220-C223 PolarHBondContact O-SG 3.36Å; T220-S245 CarbonylContact C-O 3.5Å; T220-S245 VanDerWaalsContact C-O 3.29Å; T220-S245 WeakPolarHBondContact CA-O 3.27Å; T220-L246 VanDerWaalsContact O-CD2 3.31Å; T220-L246 WeakPolarHBondContact O-CD2 3.39Å
221	K	93.8	Very high	95.4	Very high	68 Å²	68	28.6 Å²	28.6	30%	0.296	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.1	-32.9	176.3	67.8	-163.3	-170.1	160.3	0	115.5	C223 G224 S245 L246 E247 E249 G250	K221-C223 PolarHBondContact O-N 2.74Å; K221-G224 PolarHBondContact O-N 2.89Å; K221-S245 PolarHBondContact N-O 2.76Å; K221-L246 WeakPolarHBondContact CA-O 3.32Å; K221-L246 WeakPolarHBondContact CB-O 3.43Å; K221-E247 HydrophobicContact CB-CB 4.35Å; K221-E247 HydrophobicContact CD-CB 4.41Å; K221-E247 VanDerWaalsContact CD-CD 3.41Å; K221-E247 HydrophobicContact CD-CG 4.33Å; K221-E247 WeakPolarHBondContact CD-OE1 3.16Å; K221-E247 WeakPolarHBondContact CD-OE2 3.42Å; K221-E247 IonicContact NZ-OE1 2.75Å; K221-E247 IonicContact NZ-OE2 3.53Å; K221-E247 PolarHBondContact NZ-OE2 2.75Å; K221-E249 HydrophobicContact CD-CB 4.45Å; K221-E249 VanDerWaalsContact CD-OE2 3.29Å; K221-E249 WeakPolarHBondContact CD-OE2 3.37Å; K221-E249 WeakPolarHBondContact CE-OE2 3.37Å; K221-E249 IonicContact NZ-OE2 3.84Å; K221-E249 PolarHBondContact NZ-OE2 3.5Å; K221-G250 WeakPolarHBondContact O-CA 3.35Å
222	Q	94.4	Very high	95.1	Very high	87 Å²	87	27.3 Å²	27.3	41%	0.407	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-30.1	176.3	-173.4	58.8	29.7	0	0	112.8	E193 T220 G224 L225 W226	E193-Q222 HydrophobicContact CG-CB 4.26Å; E193-Q222 HydrophobicContact CG-CG 4.37Å; T220-Q222 PolarHBondContact O-N 3.36Å; T220-Q222 VanDerWaalsContact O-N 3.08Å; Q222-G224 PolarHBondContact O-N 2.71Å; Q222-L225 PolarHBondContact O-N 3.33Å; Q222-W226 HydrophobicContact CG-CH2 3.67Å; Q222-W226 HydrophobicContact CG-CZ2 3.9Å; Q222-W226 HydrophobicContact CG-CZ3 4.28Å
223	C	96	Very high	94.7	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-60.5	-28.7	174.6	-64.7	0	0	0	0	113.3	C196 L219 T220 K221 L225 W226 L227 L246	C196-C223 HydrophobicContact CB-CB 4.41Å; C196-C223 VanDerWaalsContact CB-SG 3.55Å; C196-C223 VanDerWaalsContact SG-SG 3.65Å; L219-C223 HydrophobicContact CB-CB 4.16Å; T220-C223 WeakPolarHBondContact O-CB 3.44Å; T220-C223 PolarHBondContact O-N 3.25Å; T220-C223 PolarHBondContact O-SG 3.36Å; K221-C223 PolarHBondContact O-N 2.74Å; C223-L225 VanDerWaalsContact C-N 3.29Å; C223-L225 PolarHBondContact O-N 2.85Å; C223-W226 PolarHBondContact O-N 3.43Å; C223-L227 HydrophobicContact CB-CD1 4.29Å; C223-L227 WeakPolarHBondContact O-CB 3.27Å; C223-L227 WeakPolarHBondContact O-CG 3.46Å; C223-L227 PolarHBondContact O-N 3.3Å; C223-L246 HydrophobicContact CB-CD2 4.06Å
224	G	95	Very high	94.4	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-57.9	-39.9	-176.8	0	0	0	0	0	113	K221 Q222 G228 G250 L254	K221-G224 PolarHBondContact O-N 2.89Å; Q222-G224 PolarHBondContact O-N 2.71Å; G224-G228 PolarHBondContact O-N 2.96Å; G224-G250 WeakPolarHBondContact CA-O 3.43Å; G224-L254 VanDerWaalsContact O-CA 3.25Å; G224-L254 WeakPolarHBondContact O-CA 3.49Å; G224-L254 PolarHBondContact O-N 2.97Å
225	L	95	Very high	94.3	Very high	78 Å²	78	31.8 Å²	31.8	41%	0.408	16%	0.163	S	C	.	.	H	α-helix	trans	-62.8	-46.2	176.9	178	61.3	0	0	0	112.2	Q222 C223 G228 N229 A253	Q222-L225 PolarHBondContact O-N 3.33Å; C223-L225 VanDerWaalsContact C-N 3.29Å; C223-L225 PolarHBondContact O-N 2.85Å; L225-G228 PolarHBondContact O-N 3.18Å; L225-N229 PolarHBondContact O-N 2.58Å; L225-N229 VanDerWaalsContact O-N 3.13Å; L225-N229 PolarHBondContact O-ND2 2.77Å; L225-N229 PolarHBondContact O-OD1 3.18Å; L225-A253 HydrophobicContact CB-CB 4.22Å
226	W	95.8	Very high	94.2	Very high	37 Å²	37	29.2 Å²	29.2	14%	0.14	15%	0.154	C	C	.	.	H	α-helix	trans	-70	-42.2	-178.5	-54.6	-45	0	0	0	111.7	E193 R197 C200 Q222 C223 G228 N229 I230	E193-W226 HydrophobicContact CG-CH2 3.56Å; E193-W226 HydrophobicContact CG-CZ3 3.51Å; E193-W226 WeakPolarHBondContact O-CZ3 3.14Å; R197-W226 HydrophobicContact CB-CD2 4.22Å; R197-W226 HydrophobicContact CB-CE3 3.85Å; R197-W226 HydrophobicContact CB-CH2 3.94Å; R197-W226 HydrophobicContact CB-CZ2 4.26Å; R197-W226 HydrophobicContact CB-CZ3 3.72Å; R197-W226 HydrophobicContact CG-CD2 4.35Å; R197-W226 HydrophobicContact CG-CE3 4.47Å; R197-W226 HydrophobicContact CG-CH2 4.34Å; R197-W226 HydrophobicContact CG-CZ2 4.17Å; R197-W226 HydrophobicContact CG-CZ3 4.47Å; C200-W226 HydrophobicContact CB-CB 3.75Å; C200-W226 WeakPolarHBondContact SG-CB 3.36Å; Q222-W226 HydrophobicContact CG-CH2 3.67Å; Q222-W226 HydrophobicContact CG-CZ2 3.9Å; Q222-W226 HydrophobicContact CG-CZ3 4.28Å; C223-W226 PolarHBondContact O-N 3.43Å; W226-G228 PolarHBondContact O-N 2.71Å; W226-N229 WeakPolarHBondContact O-CB 3.37Å; W226-N229 PolarHBondContact O-N 3.41Å; W226-N229 VanDerWaalsContact O-N 3.16Å; W226-I230 WeakPolarHBondContact O-CG1 3.35Å; W226-I230 PolarHBondContact O-N 2.91Å
227	L	95.8	Very high	94.1	Very high	2 Å²	2	26.1 Å²	26.1	1%	0.01	14%	0.14	C	C	.	.	H	α-helix	trans	-61.1	-42.3	174.7	-69.9	169.4	0	0	0	111.7	L214 L219 C223 N229 I230 I231 L241 L254	L214-L227 HydrophobicContact CD1-CD2 4.07Å; L219-L227 HydrophobicContact CD1-CD1 4.32Å; C223-L227 HydrophobicContact CB-CD1 4.29Å; C223-L227 WeakPolarHBondContact O-CB 3.27Å; C223-L227 WeakPolarHBondContact O-CG 3.46Å; C223-L227 PolarHBondContact O-N 3.3Å; L227-N229 VanDerWaalsContact C-N 3.28Å; L227-N229 PolarHBondContact O-N 3.05Å; L227-I230 HydrophobicContact CD2-CD1 4.21Å; L227-I230 PolarHBondContact O-N 3.46Å; L227-I230 VanDerWaalsContact O-N 3.16Å; L227-I231 WeakPolarHBondContact O-CD1 3.21Å; L227-I231 VanDerWaalsContact O-CG1 3.31Å; L227-I231 WeakPolarHBondContact O-CG1 3.14Å; L227-I231 PolarHBondContact O-N 3.38Å; L227-I231 VanDerWaalsContact O-N 3.11Å; L227-L241 HydrophobicContact CD1-CD1 4.05Å; L227-L241 HydrophobicContact CD1-CD2 3.83Å; L227-L254 HydrophobicContact CB-CD1 3.58Å
228	G	93.7	Very high	94.1	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-59.2	-36.7	173.8	0	0	0	0	0	113.1	G224 L225 W226 A232	G224-G228 PolarHBondContact O-N 2.96Å; L225-G228 PolarHBondContact O-N 3.18Å; W226-G228 PolarHBondContact O-N 2.71Å; G228-A232 WeakPolarHBondContact O-CB 3.33Å; G228-A232 PolarHBondContact O-N 2.9Å
229	N	93.2	Very high	94.2	Very high	37 Å²	37	27.7 Å²	27.7	20%	0.198	14%	0.135	C	C	.	.	H	α-helix	trans	-67.5	-43.4	173.4	-62.4	-22	0	0	0	112	L225 W226 L227 I231 A232 E233 R257	L225-N229 PolarHBondContact O-N 2.58Å; L225-N229 VanDerWaalsContact O-N 3.13Å; L225-N229 PolarHBondContact O-ND2 2.77Å; L225-N229 PolarHBondContact O-OD1 3.18Å; W226-N229 WeakPolarHBondContact O-CB 3.37Å; W226-N229 PolarHBondContact O-N 3.41Å; W226-N229 VanDerWaalsContact O-N 3.16Å; L227-N229 VanDerWaalsContact C-N 3.28Å; L227-N229 PolarHBondContact O-N 3.05Å; N229-I231 PolarHBondContact O-N 2.77Å; N229-A232 PolarHBondContact O-N 2.78Å; N229-E233 PolarHBondContact O-N 2.65Å; N229-E233 VanDerWaalsContact O-N 3.15Å; N229-R257 PolarHBondContact OD1-NE 2.84Å; N229-R257 PolarHBondContact OD1-NH1 3.34Å; N229-R257 PolarHBondContact OD1-NH2 2.85Å
230	I	93.9	Very high	94.3	Very high	4 Å²	4	27.9 Å²	27.9	2%	0.021	14%	0.136	C	C	.	.	H	α-helix	trans	-57	-49	176.3	-52	178.9	0	0	0	110.6	C200 L203 W226 L227 A232 E233 T234 I236	C200-I230 HydrophobicContact CB-CD1 3.97Å; C200-I230 HydrophobicContact CB-CG1 4.02Å; L203-I230 HydrophobicContact CB-CD1 4.26Å; L203-I230 HydrophobicContact CB-CG2 4.42Å; L203-I230 HydrophobicContact CD1-CD1 4.26Å; W226-I230 WeakPolarHBondContact O-CG1 3.35Å; W226-I230 PolarHBondContact O-N 2.91Å; L227-I230 HydrophobicContact CD2-CD1 4.21Å; L227-I230 PolarHBondContact O-N 3.46Å; L227-I230 VanDerWaalsContact O-N 3.16Å; I230-A232 PolarHBondContact O-N 2.68Å; I230-E233 PolarHBondContact O-N 2.69Å; I230-E233 VanDerWaalsContact O-N 3.16Å; I230-T234 HydrophobicContact CG2-CG2 3.57Å; I230-T234 WeakPolarHBondContact CG2-OG1 3.31Å; I230-T234 WeakPolarHBondContact O-CB 3.35Å; I230-T234 WeakPolarHBondContact O-CG2 3.26Å; I230-T234 PolarHBondContact O-N 2.81Å; I230-T234 PolarHBondContact O-OG1 2.74Å; I230-I236 HydrophobicContact CG2-CD1 3.59Å; I230-I236 HydrophobicContact CG2-CG1 4.49Å
231	I	92.7	Very high	94.4	Very high	2 Å²	2	25.6 Å²	25.6	1%	0.01	12%	0.122	C	C	.	.	H	α-helix	trans	-63.5	-34.6	-175.6	-57.3	154.9	0	0	0	110.8	L227 N229 L239 L254 I258 G352	L227-I231 WeakPolarHBondContact O-CD1 3.21Å; L227-I231 VanDerWaalsContact O-CG1 3.31Å; L227-I231 WeakPolarHBondContact O-CG1 3.14Å; L227-I231 PolarHBondContact O-N 3.38Å; L227-I231 VanDerWaalsContact O-N 3.11Å; N229-I231 PolarHBondContact O-N 2.77Å; I231-L239 HydrophobicContact CD1-CD2 3.38Å; I231-L239 HydrophobicContact CG1-CD2 3.87Å; I231-L254 HydrophobicContact CD1-CD1 3.55Å; I231-I258 HydrophobicContact CB-CD1 4.34Å; I231-I258 HydrophobicContact CD1-CD1 3.8Å; I231-I258 HydrophobicContact CG2-CD1 3.78Å; I231-I258 HydrophobicContact CG2-CG1 4.13Å; I231-G352 CarbonylContact O-C 3.21Å; I231-G352 VanDerWaalsContact O-O 3.08Å
232	A	90.6	Very high	94.5	Very high	14 Å²	14	23.2 Å²	23.2	12%	0.116	11%	0.113	C	C	.	.	H	α-helix	trans	-71.7	-28.7	177.6	0	0	0	0	0	114.1	G228 N229 I230 R257 G352 P353	G228-A232 WeakPolarHBondContact O-CB 3.33Å; G228-A232 PolarHBondContact O-N 2.9Å; N229-A232 PolarHBondContact O-N 2.78Å; I230-A232 PolarHBondContact O-N 2.68Å; A232-R257 HydrophobicContact CB-CB 4.14Å; A232-R257 VanDerWaalsContact CB-CD 3.48Å; A232-R257 HydrophobicContact CB-CG 4.47Å; A232-G352 CarbonylContact O-C 3.55Å; A232-G352 WeakPolarHBondContact O-CA 3.42Å; A232-P353 HydrophobicContact CB-CB 4.11Å; A232-P353 WeakPolarHBondContact O-CD 3.43Å
233	E	89.9	Confident	94.6	Very high	92 Å²	92	19.7 Å²	19.7	43%	0.43	10%	0.1	S	C	.	.	H	α-helix	trans	-111.9	-17.9	-168.1	-65.1	176.8	-139.8	0	0	113.5	I204 N229 I230 R257	I204-E233 WeakPolarHBondContact CD1-OE2 3.44Å; I204-E233 HydrophobicContact CG1-CB 4.32Å; N229-E233 PolarHBondContact O-N 2.65Å; N229-E233 VanDerWaalsContact O-N 3.15Å; I230-E233 PolarHBondContact O-N 2.69Å; I230-E233 VanDerWaalsContact O-N 3.16Å; E233-R257 IonicContact OE1-CZ 2.68Å; E233-R257 IonicContact OE1-NH1 3.01Å; E233-R257 PolarHBondContact OE1-NH1 3.4Å; E233-R257 IonicContact OE1-NH2 2.79Å
234	T	92.1	Very high	94.6	Very high	2 Å²	2	20 Å²	20	1%	0.012	10%	0.101	C	C	.	.	S	Bend	trans	-107	-167.2	-178.6	70.6	0	0	0	0	113.2	L203 I230 I236 S351 G352	L203-T234 WeakPolarHBondContact O-CG2 3.42Å; I230-T234 HydrophobicContact CG2-CG2 3.57Å; I230-T234 WeakPolarHBondContact CG2-OG1 3.31Å; I230-T234 WeakPolarHBondContact O-CB 3.35Å; I230-T234 WeakPolarHBondContact O-CG2 3.26Å; I230-T234 PolarHBondContact O-N 2.81Å; I230-T234 PolarHBondContact O-OG1 2.74Å; T234-I236 PolarHBondContact OG1-N 3.2Å; T234-S351 CarbonylContact O-C 3.36Å; T234-S351 WeakPolarHBondContact O-CA 3.21Å; T234-S351 WeakPolarHBondContact O-CB 3.38Å; T234-G352 PolarHBondContact O-N 3.1Å
235	A	93.7	Very high	94.6	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.116	C	C	.	.			trans	-104.8	14.7	176.2	0	0	0	0	0	114	L209 R237 P349	L209-A235 CarbonylContact O-C 3.59Å; A235-R237 PolarHBondContact O-N 3.09Å; A235-P349 HydrophobicContact CB-CB 4.03Å; A235-P349 HydrophobicContact CB-CG 3.47Å; A235-P349 VanDerWaalsContact CB-CG 3.47Å
236	I	95.1	Very high	94.6	Very high	4 Å²	4	18.3 Å²	18.3	2%	0.021	10%	0.096	C	C	.	.			trans	-63.5	131.5	175.6	-61.9	179.3	0	0	0	109.3	L209 L212 I230 T234 L239	L209-I236 HydrophobicContact CD2-CD1 4.17Å; L209-I236 HydrophobicContact CD2-CG1 4.43Å; L209-I236 PolarHBondContact O-N 3.25Å; L212-I236 HydrophobicContact CB-CD1 4.01Å; L212-I236 HydrophobicContact CB-CG2 4.37Å; L212-I236 HydrophobicContact CD2-CD1 3.93Å; I230-I236 HydrophobicContact CG2-CD1 3.59Å; I230-I236 HydrophobicContact CG2-CG1 4.49Å; T234-I236 PolarHBondContact OG1-N 3.2Å; I236-L239 HydrophobicContact CG2-CB 4.41Å
237	R	94	Very high	94.4	Very high	28 Å²	28	19.6 Å²	19.6	11%	0.106	10%	0.104	C	C	.	.			trans	-129.2	-20.9	-179.6	-65.4	-64	175	-104.8	17.7	112.7	T210 A235 P350 G352 Q354 A356 V357	T210-R237 PolarHBondContact O-N 2.95Å; A235-R237 PolarHBondContact O-N 3.09Å; R237-P350 PolarHBondContact NH2-O 2.82Å; R237-P350 VanDerWaalsContact NH2-O 3.11Å; R237-G352 VanDerWaalsContact CZ-O 3.23Å; R237-G352 PolarHBondContact NH1-O 3.14Å; R237-G352 PolarHBondContact NH2-O 2.88Å; R237-Q354 WeakPolarHBondContact CD-O 3.32Å; R237-Q354 PolarHBondContact NH1-O 3.08Å; R237-A356 HydrophobicContact CB-CB 4.26Å; R237-A356 WeakPolarHBondContact O-CA 3.29Å; R237-A356 WeakPolarHBondContact O-CB 3.42Å; R237-A356 PolarHBondContact O-N 3.43Å; R237-V357 PolarHBondContact O-N 3.22Å
238	E	96.1	Very high	94.3	Very high	76 Å²	76	19.8 Å²	19.8	36%	0.355	11%	0.106	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	114.9	171.4	-58.4	-166.8	-156	0	0	108.5	T210 Y211 L212 V357	T210-E238 PolarHBondContact O-N 2.74Å; Y211-E238 WeakPolarHBondContact CA-O 3.08Å; Y211-E238 HydrophobicContact CD2-CB 3.56Å; Y211-E238 HydrophobicContact CD2-CG 4.39Å; Y211-E238 HydrophobicContact CE2-CB 4.3Å; Y211-E238 HydrophobicContact CG-CB 4.29Å; L212-E238 PolarHBondContact N-O 2.67Å; E238-V357 WeakPolarHBondContact CA-O 3.43Å; E238-V357 HydrophobicContact CB-CB 4.02Å; E238-V357 HydrophobicContact CG-CB 3.82Å; E238-V357 HydrophobicContact CG-CG2 3.84Å
239	L	97.1	Very high	94.3	Very high	2 Å²	2	24 Å²	24	1%	0.01	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	124.5	179.1	-177.8	61.4	0	0	0	110.2	L212 I231 I236 L241 L254 I355 V357 L358 K359	L212-L239 HydrophobicContact CB-CD1 3.93Å; L212-L239 HydrophobicContact CD2-CD1 3.9Å; L212-L239 HydrophobicContact CG-CD1 3.94Å; L212-L239 WeakPolarHBondContact O-CA 3.42Å; I231-L239 HydrophobicContact CD1-CD2 3.38Å; I231-L239 HydrophobicContact CG1-CD2 3.87Å; I236-L239 HydrophobicContact CG2-CB 4.41Å; L239-L241 HydrophobicContact CD1-CD2 4.07Å; L239-L241 HydrophobicContact CD1-CG 4.31Å; L239-L241 HydrophobicContact CD2-CD1 3.92Å; L239-L241 HydrophobicContact CD2-CG 4.44Å; L239-L241 HydrophobicContact CG-CD1 4.03Å; L239-L241 HydrophobicContact CG-CD2 4.31Å; L239-L241 HydrophobicContact CG-CG 4.02Å; L239-L254 HydrophobicContact CD2-CD1 4.29Å; L239-I355 HydrophobicContact CB-CD1 4.03Å; L239-V357 PolarHBondContact N-O 3.02Å; L239-L358 WeakPolarHBondContact O-CA 3.23Å; L239-K359 PolarHBondContact O-N 2.77Å
240	I	97.6	Very high	94.3	Very high	4 Å²	4	22.3 Å²	22.3	2%	0.021	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	123	-175.2	-39.6	-58.2	0	0	0	109.4	Y211 L212 S213 L214 R215 D242 V357 K359	Y211-I240 HydrophobicContact CE2-CD1 4.31Å; Y211-I240 HydrophobicContact CE2-CG1 4.05Å; L212-I240 PolarHBondContact O-N 3.23Å; S213-I240 WeakPolarHBondContact OG-CB 3.25Å; L214-I240 PolarHBondContact N-O 2.91Å; R215-I240 HydrophobicContact CG-CG2 3.77Å; I240-D242 WeakPolarHBondContact CG2-OD2 3.26Å; I240-V357 HydrophobicContact CD1-CG1 3.92Å; I240-K359 HydrophobicContact CD1-CB 4.24Å; I240-K359 HydrophobicContact CD1-CD 3.99Å; I240-K359 HydrophobicContact CD1-CG 3.88Å; I240-K359 HydrophobicContact CG2-CB 3.98Å; I240-K359 HydrophobicContact CG2-CD 4.24Å
241	L	97.5	Very high	94.4	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.116	C	C	.	.			trans	-133.1	22.3	-174.4	-57	168.1	0	0	0	111.4	L214 L219 L227 L239 G243 N244 L246 L254 K359 L360 N363	L214-L241 HydrophobicContact CB-CD2 4.12Å; L214-L241 HydrophobicContact CD1-CD2 4.24Å; L219-L241 HydrophobicContact CD1-CD2 3.91Å; L227-L241 HydrophobicContact CD1-CD1 4.05Å; L227-L241 HydrophobicContact CD1-CD2 3.83Å; L239-L241 HydrophobicContact CD1-CD2 4.07Å; L239-L241 HydrophobicContact CD1-CG 4.31Å; L239-L241 HydrophobicContact CD2-CD1 3.92Å; L239-L241 HydrophobicContact CD2-CG 4.44Å; L239-L241 HydrophobicContact CG-CD1 4.03Å; L239-L241 HydrophobicContact CG-CD2 4.31Å; L239-L241 HydrophobicContact CG-CG 4.02Å; L241-G243 PolarHBondContact O-N 2.98Å; L241-N244 PolarHBondContact O-ND2 2.99Å; L241-L246 HydrophobicContact CB-CD1 4.35Å; L241-L246 HydrophobicContact CD1-CD1 3.86Å; L241-L254 HydrophobicContact CD1-CD2 3.83Å; L241-K359 PolarHBondContact N-O 2.63Å; L241-L360 HydrophobicContact CB-CD2 4.16Å; L241-L360 HydrophobicContact CD1-CD2 3.93Å; L241-N363 PolarHBondContact O-ND2 3.4Å; L241-N363 PolarHBondContact O-OD1 2.92Å
242	D	96.2	Very high	94.5	Very high	19 Å²	19	23.9 Å²	23.9	10%	0.102	13%	0.125	C	C	.	.			trans	-56.1	133.2	-174.7	-53.6	-49.7	0	0	0	112.3	R215 F216 I240 K359 A361	R215-D242 CarbonylContact C-O 3.52Å; R215-D242 WeakPolarHBondContact CA-O 3.37Å; R215-D242 HydrophobicContact CB-CB 4.43Å; R215-D242 VanDerWaalsContact CB-O 3.32Å; R215-D242 WeakPolarHBondContact CB-O 3.33Å; R215-D242 HydrophobicContact CG-CB 3.86Å; R215-D242 IonicContact CZ-OD2 2.71Å; R215-D242 IonicContact NE-OD2 3.98Å; R215-D242 PolarHBondContact NE-OD2 3.23Å; R215-D242 IonicContact NH2-OD2 2.85Å; R215-D242 PolarHBondContact NH2-OD2 2.76Å; F216-D242 PolarHBondContact N-O 3.05Å; I240-D242 WeakPolarHBondContact CG2-OD2 3.26Å; D242-K359 WeakPolarHBondContact OD1-CB 3.16Å; D242-A361 CarbonylContact C-O 3.57Å; D242-A361 VanDerWaalsContact CA-O 3.23Å; D242-A361 WeakPolarHBondContact CA-O 3Å; D242-A361 HydrophobicContact CB-CB 4.4Å; D242-A361 WeakPolarHBondContact OD1-CB 3.14Å; D242-A361 PolarHBondContact OD1-N 3.14Å; D242-A361 VanDerWaalsContact OD1-N 3.14Å
243	G	94.7	Very high	94.8	Very high	13 Å²	13	24.6 Å²	24.6	13%	0.134	13%	0.13	C	C	.	.	S	Bend	trans	74.6	55.7	177	0	0	0	0	0	114.5	F216 L241 A361 D362	F216-G243 WeakPolarHBondContact CA-O 3.38Å; F216-G243 PolarHBondContact N-O 3.37Å; L241-G243 PolarHBondContact O-N 2.98Å; G243-A361 PolarHBondContact N-O 2.99Å; G243-D362 CarbonylContact C-O 3.38Å; G243-D362 WeakPolarHBondContact CA-O 3.41Å; G243-D362 PolarHBondContact N-O 2.77Å; G243-D362 VanDerWaalsContact N-O 3.14Å
244	N	96.7	Very high	95	Very high	5 Å²	5	20.2 Å²	20.2	3%	0.027	11%	0.11	C	C	.	.			trans	-140.2	167.4	178.9	-75	-72.4	0	0	0	111.2	L214 C217 G218 L219 L241 L246 D362 N363	L214-N244 PolarHBondContact O-ND2 2.77Å; C217-N244 PolarHBondContact N-OD1 3.42Å; G218-N244 PolarHBondContact N-OD1 3.45Å; L219-N244 HydrophobicContact CB-CB 4.03Å; L219-N244 WeakPolarHBondContact CG-OD1 3.42Å; L219-N244 PolarHBondContact N-OD1 3.29Å; L241-N244 PolarHBondContact O-ND2 2.99Å; N244-L246 HydrophobicContact CB-CG 4.43Å; N244-L246 PolarHBondContact O-N 3.32Å; N244-D362 PolarHBondContact N-O 3.25Å; N244-D362 VanDerWaalsContact N-O 3.1Å; N244-N363 CarbonylContact O-C 3.36Å; N244-N363 WeakPolarHBondContact O-CA 3.37Å
245	S	94.7	Very high	95.2	Very high	44 Å²	44	20.1 Å²	20.1	31%	0.308	11%	0.109	S	C	.	.	B	Isolated β-bridge	trans	-101.4	55.8	-178	-50.9	0	0	0	0	111.3	L219 T220 K221 E247 E364	L219-S245 CarbonylContact O-C 3.59Å; L219-S245 VanDerWaalsContact O-C 3.23Å; L219-S245 WeakPolarHBondContact O-CA 3.3Å; L219-S245 PolarHBondContact O-N 2.83Å; T220-S245 CarbonylContact C-O 3.5Å; T220-S245 VanDerWaalsContact C-O 3.29Å; T220-S245 WeakPolarHBondContact CA-O 3.27Å; K221-S245 PolarHBondContact N-O 2.76Å; S245-E247 VanDerWaalsContact C-N 3.35Å; S245-E364 WeakPolarHBondContact CB-OE1 3.27Å; S245-E364 PolarHBondContact OG-OE1 2.95Å
246	L	94.6	Very high	95.3	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.124	C	C	.	.			trans	-76.9	-20.3	179.5	-67.3	-171.6	0	0	0	113.6	L219 T220 K221 C223 L241 N244 G250 L254 L360 N363	L219-L246 HydrophobicContact CB-CD2 3.98Å; T220-L246 VanDerWaalsContact O-CD2 3.31Å; T220-L246 WeakPolarHBondContact O-CD2 3.39Å; K221-L246 WeakPolarHBondContact CA-O 3.32Å; K221-L246 WeakPolarHBondContact CB-O 3.43Å; C223-L246 HydrophobicContact CB-CD2 4.06Å; L241-L246 HydrophobicContact CB-CD1 4.35Å; L241-L246 HydrophobicContact CD1-CD1 3.86Å; N244-L246 HydrophobicContact CB-CG 4.43Å; N244-L246 PolarHBondContact O-N 3.32Å; L246-G250 WeakPolarHBondContact O-CA 3.41Å; L246-G250 PolarHBondContact O-N 3.01Å; L246-G250 VanDerWaalsContact O-N 3.08Å; L246-L254 HydrophobicContact CD1-CD2 4.47Å; L246-L360 HydrophobicContact CD1-CD2 3.93Å; L246-N363 VanDerWaalsContact CD1-OD1 3.32Å; L246-N363 WeakPolarHBondContact CD1-OD1 3.45Å; L246-N363 WeakPolarHBondContact CG-OD1 3.37Å
247	E	93.5	Very high	95.2	Very high	64 Å²	64	26.5 Å²	26.5	30%	0.299	14%	0.14	S	C	.	.	H	α-helix	trans	55	-176.3	-176.4	-62.2	174.6	-149.8	0	0	113.2	K221 S245 T251 N363	K221-E247 HydrophobicContact CB-CB 4.35Å; K221-E247 HydrophobicContact CD-CB 4.41Å; K221-E247 VanDerWaalsContact CD-CD 3.41Å; K221-E247 HydrophobicContact CD-CG 4.33Å; K221-E247 WeakPolarHBondContact CD-OE1 3.16Å; K221-E247 WeakPolarHBondContact CD-OE2 3.42Å; K221-E247 IonicContact NZ-OE1 2.75Å; K221-E247 IonicContact NZ-OE2 3.53Å; K221-E247 PolarHBondContact NZ-OE2 2.75Å; S245-E247 VanDerWaalsContact C-N 3.35Å; E247-T251 WeakPolarHBondContact O-CB 3.49Å; E247-T251 PolarHBondContact O-N 2.84Å; E247-T251 PolarHBondContact O-OG1 2.83Å; E247-N363 PolarHBondContact N-O 3.05Å; E247-N363 VanDerWaalsContact N-O 3.14Å
248	A	93.6	Very high	95.2	Very high	6 Å²	6	25.3 Å²	25.3	5%	0.05	14%	0.136	C	C	.	.	H	α-helix	trans	-68.6	-40.2	171.4	0	0	0	0	0	112	T251 I252 I365 N375	A248-T251 PolarHBondContact O-N 2.87Å; A248-I252 VanDerWaalsContact O-CG1 3.29Å; A248-I252 WeakPolarHBondContact O-CG1 3.32Å; A248-I252 PolarHBondContact O-N 3.46Å; A248-I365 HydrophobicContact CB-CG2 4.41Å; A248-N375 HydrophobicContact CB-CB 3.74Å
249	E	92.5	Very high	95.1	Very high	88 Å²	88	21.7 Å²	21.7	41%	0.411	12%	0.119	S	C	.	.	H	α-helix	trans	-60.6	-52.9	-179.4	-172	-174.1	-168.7	0	0	112.7	K221 T251 I252 A253	K221-E249 HydrophobicContact CD-CB 4.45Å; K221-E249 VanDerWaalsContact CD-OE2 3.29Å; K221-E249 WeakPolarHBondContact CD-OE2 3.37Å; K221-E249 WeakPolarHBondContact CE-OE2 3.37Å; K221-E249 IonicContact NZ-OE2 3.84Å; K221-E249 PolarHBondContact NZ-OE2 3.5Å; E249-T251 VanDerWaalsContact C-N 3.3Å; E249-T251 PolarHBondContact O-N 3.28Å; E249-I252 WeakPolarHBondContact O-CB 3.31Å; E249-I252 PolarHBondContact O-N 3.47Å; E249-I252 VanDerWaalsContact O-N 3.16Å; E249-A253 PolarHBondContact O-N 2.94Å
250	G	94.1	Very high	95	Very high	2 Å²	2	25.5 Å²	25.5	2%	0.021	14%	0.139	C	C	.	.	H	α-helix	trans	-65.8	-35.3	179.4	0	0	0	0	0	112.1	K221 G224 L246 A253 L254	K221-G250 WeakPolarHBondContact O-CA 3.35Å; G224-G250 WeakPolarHBondContact CA-O 3.43Å; L246-G250 WeakPolarHBondContact O-CA 3.41Å; L246-G250 PolarHBondContact O-N 3.01Å; L246-G250 VanDerWaalsContact O-N 3.08Å; G250-A253 PolarHBondContact O-N 2.92Å; G250-L254 WeakPolarHBondContact O-CB 3.09Å; G250-L254 PolarHBondContact O-N 3.22Å
251	T	95.4	Very high	94.8	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-68.1	-34.1	174.1	-51.8	0	0	0	0	112.2	E247 A248 E249 L254 L255 L360 I365 C379	E247-T251 WeakPolarHBondContact O-CB 3.49Å; E247-T251 PolarHBondContact O-N 2.84Å; E247-T251 PolarHBondContact O-OG1 2.83Å; A248-T251 PolarHBondContact O-N 2.87Å; E249-T251 VanDerWaalsContact C-N 3.3Å; E249-T251 PolarHBondContact O-N 3.28Å; T251-L254 PolarHBondContact O-N 3.3Å; T251-L255 HydrophobicContact CG2-CD1 3.77Å; T251-L255 HydrophobicContact CG2-CG 4.17Å; T251-L255 WeakPolarHBondContact O-CB 3.38Å; T251-L255 WeakPolarHBondContact O-CG 3.32Å; T251-L255 PolarHBondContact O-N 3.12Å; T251-L360 HydrophobicContact CG2-CD1 3.69Å; T251-I365 HydrophobicContact CG2-CD1 3.98Å; T251-C379 WeakPolarHBondContact CG2-SG 3.45Å
252	I	95.5	Very high	94.5	Very high	38 Å²	38	26.5 Å²	26.5	20%	0.195	15%	0.148	C	C	.	.	H	α-helix	trans	-61.8	-46.7	170.1	-74.2	162.4	0	0	0	110.7	A248 E249 L254 L255 S256 N375 R378 C379 L382	A248-I252 VanDerWaalsContact O-CG1 3.29Å; A248-I252 WeakPolarHBondContact O-CG1 3.32Å; A248-I252 PolarHBondContact O-N 3.46Å; E249-I252 WeakPolarHBondContact O-CB 3.31Å; E249-I252 PolarHBondContact O-N 3.47Å; E249-I252 VanDerWaalsContact O-N 3.16Å; I252-L254 PolarHBondContact O-N 3.45Å; I252-L255 PolarHBondContact O-N 3.11Å; I252-S256 WeakPolarHBondContact O-CB 3.17Å; I252-S256 PolarHBondContact O-N 3.17Å; I252-N375 HydrophobicContact CD1-CB 3.92Å; I252-R378 HydrophobicContact CD1-CB 4.06Å; I252-R378 HydrophobicContact CD1-CG 4.02Å; I252-R378 HydrophobicContact CG1-CG 4.43Å; I252-C379 HydrophobicContact CG1-CB 4.02Å; I252-L382 HydrophobicContact CB-CD1 4.33Å; I252-L382 HydrophobicContact CG1-CD1 4.29Å; I252-L382 HydrophobicContact CG2-CD1 4.1Å
253	A	95.5	Very high	94.4	Very high	29 Å²	29	29.6 Å²	29.6	24%	0.24	16%	0.162	C	C	.	.	H	α-helix	trans	-59.5	-47	178.4	0	0	0	0	0	111.7	L225 E249 G250 L255 S256	L225-A253 HydrophobicContact CB-CB 4.22Å; E249-A253 PolarHBondContact O-N 2.94Å; G250-A253 PolarHBondContact O-N 2.92Å; A253-L255 PolarHBondContact O-N 3.17Å; A253-S256 PolarHBondContact O-OG 3.4Å
254	L	95.8	Very high	94.4	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-55.2	-45.5	175.9	176.4	67.5	0	0	0	113	G224 L227 I231 L239 L241 L246 G250 T251 I252 L360	G224-L254 VanDerWaalsContact O-CA 3.25Å; G224-L254 WeakPolarHBondContact O-CA 3.49Å; G224-L254 PolarHBondContact O-N 2.97Å; L227-L254 HydrophobicContact CB-CD1 3.58Å; I231-L254 HydrophobicContact CD1-CD1 3.55Å; L239-L254 HydrophobicContact CD2-CD1 4.29Å; L241-L254 HydrophobicContact CD1-CD2 3.83Å; L246-L254 HydrophobicContact CD1-CD2 4.47Å; G250-L254 WeakPolarHBondContact O-CB 3.09Å; G250-L254 PolarHBondContact O-N 3.22Å; T251-L254 PolarHBondContact O-N 3.3Å; I252-L254 PolarHBondContact O-N 3.45Å; L254-L360 HydrophobicContact CD2-CD2 3.95Å
255	L	96	Very high	94.1	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-89.4	-20.8	-170.2	-64.5	179.5	0	0	0	114.4	T251 I252 A253 R257 I258 S259 L358 L382 I383 I386	T251-L255 HydrophobicContact CG2-CD1 3.77Å; T251-L255 HydrophobicContact CG2-CG 4.17Å; T251-L255 WeakPolarHBondContact O-CB 3.38Å; T251-L255 WeakPolarHBondContact O-CG 3.32Å; T251-L255 PolarHBondContact O-N 3.12Å; I252-L255 PolarHBondContact O-N 3.11Å; A253-L255 PolarHBondContact O-N 3.17Å; L255-R257 PolarHBondContact O-N 2.85Å; L255-I258 HydrophobicContact CD2-CD1 4.27Å; L255-I258 WeakPolarHBondContact O-CA 3.47Å; L255-I258 WeakPolarHBondContact O-CB 3.48Å; L255-I258 PolarHBondContact O-N 3.11Å; L255-S259 PolarHBondContact O-N 2.91Å; L255-L358 HydrophobicContact CD2-CD2 3.7Å; L255-L382 HydrophobicContact CB-CB 4.12Å; L255-L382 HydrophobicContact CB-CD1 4.14Å; L255-L382 HydrophobicContact CD1-CB 4.48Å; L255-I383 HydrophobicContact CD1-CD1 3.83Å; L255-I383 HydrophobicContact CD1-CG1 3.31Å; L255-I386 HydrophobicContact CB-CD1 4.21Å; L255-I386 HydrophobicContact CD2-CD1 3.96Å
256	S	95	Very high	93.8	Very high	43 Å²	43	34 Å²	34	30%	0.301	17%	0.173	S	C	.	.	H	α-helix	trans	-42.9	-64.7	-177.7	60.4	0	0	0	0	113.5	I252 A253 I258 S259 D260	I252-S256 WeakPolarHBondContact O-CB 3.17Å; I252-S256 PolarHBondContact O-N 3.17Å; A253-S256 PolarHBondContact O-OG 3.4Å; S256-I258 PolarHBondContact O-N 2.87Å; S256-I258 VanDerWaalsContact O-N 3.17Å; S256-S259 PolarHBondContact O-N 2.98Å; S256-S259 VanDerWaalsContact O-N 3.17Å; S256-D260 PolarHBondContact O-N 3.43Å; S256-D260 VanDerWaalsContact O-N 3.11Å
257	R	92.6	Very high	93.7	Very high	96 Å²	96	40.9 Å²	40.9	36%	0.362	20%	0.203	S	C	.	.	H	α-helix	trans	-60.3	-26.4	179.7	-65.8	-173.3	175.2	-163	2	113.7	N229 A232 E233 L255 A261	N229-R257 PolarHBondContact OD1-NE 2.84Å; N229-R257 PolarHBondContact OD1-NH1 3.34Å; N229-R257 PolarHBondContact OD1-NH2 2.85Å; A232-R257 HydrophobicContact CB-CB 4.14Å; A232-R257 VanDerWaalsContact CB-CD 3.48Å; A232-R257 HydrophobicContact CB-CG 4.47Å; E233-R257 IonicContact OE1-CZ 2.68Å; E233-R257 IonicContact OE1-NH1 3.01Å; E233-R257 PolarHBondContact OE1-NH1 3.4Å; E233-R257 IonicContact OE1-NH2 2.79Å; L255-R257 PolarHBondContact O-N 2.85Å; R257-A261 WeakPolarHBondContact O-CB 3.37Å; R257-A261 PolarHBondContact O-N 3.47Å
258	I	94.2	Very high	93.7	Very high	3 Å²	3	44.2 Å²	44.2	2%	0.015	22%	0.218	C	C	.	.	H	α-helix	trans	-80.8	-38.2	180	-47	177.4	0	0	0	110.4	I231 L255 S256 A261 A262 I355 I386	I231-I258 HydrophobicContact CB-CD1 4.34Å; I231-I258 HydrophobicContact CD1-CD1 3.8Å; I231-I258 HydrophobicContact CG2-CD1 3.78Å; I231-I258 HydrophobicContact CG2-CG1 4.13Å; L255-I258 HydrophobicContact CD2-CD1 4.27Å; L255-I258 WeakPolarHBondContact O-CA 3.47Å; L255-I258 WeakPolarHBondContact O-CB 3.48Å; L255-I258 PolarHBondContact O-N 3.11Å; S256-I258 PolarHBondContact O-N 2.87Å; S256-I258 VanDerWaalsContact O-N 3.17Å; I258-A261 PolarHBondContact O-N 2.98Å; I258-A262 WeakPolarHBondContact O-CB 3.35Å; I258-A262 PolarHBondContact O-N 3.34Å; I258-I355 HydrophobicContact CG2-CG2 3.92Å; I258-I386 HydrophobicContact CB-CD1 3.88Å; I258-I386 HydrophobicContact CB-CG1 4.43Å; I258-I386 HydrophobicContact CG2-CD1 3.84Å; I258-I386 HydrophobicContact CG2-CG1 4.1Å; I258-I386 HydrophobicContact CG2-CG2 4.35Å
259	S	94.5	Very high	93.5	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-61.6	-53.7	173.2	-161.2	0	0	0	0	110.6	L255 S256 A261 A262 E263 S385	L255-S259 PolarHBondContact O-N 2.91Å; S256-S259 PolarHBondContact O-N 2.98Å; S256-S259 VanDerWaalsContact O-N 3.17Å; S259-A261 PolarHBondContact O-N 2.96Å; S259-A261 VanDerWaalsContact O-N 3.13Å; S259-A262 PolarHBondContact O-N 2.89Å; S259-A262 VanDerWaalsContact O-N 3.11Å; S259-E263 WeakPolarHBondContact O-CB 3.48Å; S259-E263 WeakPolarHBondContact O-CG 3.22Å; S259-E263 PolarHBondContact O-N 3.27Å; S259-E263 PolarHBondContact OG-OE1 2.85Å; S259-S385 VanDerWaalsContact OG-CB 3.27Å; S259-S385 WeakPolarHBondContact OG-CB 3.47Å; S259-S385 PolarHBondContact OG-OG 3.13Å
260	D	94.5	Very high	93.4	Very high	81 Å²	81	45.4 Å²	45.4	43%	0.433	23%	0.227	S	C	.	.	H	α-helix	trans	-53.2	-36.8	177.7	-75.7	17.3	0	0	0	113	S256 K264	S256-D260 PolarHBondContact O-N 3.43Å; S256-D260 VanDerWaalsContact O-N 3.11Å; D260-K264 WeakPolarHBondContact O-CD 3.47Å; D260-K264 WeakPolarHBondContact O-CE 3.37Å; D260-K264 WeakPolarHBondContact O-CG 3.48Å; D260-K264 PolarHBondContact O-N 3.1Å
261	A	92.8	Very high	93.3	Very high	21 Å²	21	48.7 Å²	48.7	17%	0.174	24%	0.242	C	C	.	.	H	α-helix	trans	-78.5	-42.2	179.5	0	0	0	0	0	112.6	R257 I258 S259 E263 K264 E265 P353	R257-A261 WeakPolarHBondContact O-CB 3.37Å; R257-A261 PolarHBondContact O-N 3.47Å; I258-A261 PolarHBondContact O-N 2.98Å; S259-A261 PolarHBondContact O-N 2.96Å; S259-A261 VanDerWaalsContact O-N 3.13Å; A261-E263 VanDerWaalsContact C-N 3.34Å; A261-K264 PolarHBondContact O-N 3Å; A261-E265 PolarHBondContact O-N 3.01Å; A261-P353 HydrophobicContact CB-CB 3.65Å; A261-P353 HydrophobicContact CB-CG 3.39Å; A261-P353 WeakPolarHBondContact CB-O 3.33Å
262	A	92.9	Very high	93.1	Very high	5 Å²	5	53.7 Å²	53.7	4%	0.041	27%	0.265	C	S	.	.	H	α-helix	trans	-60.4	-45.5	173.9	0	0	0	0	0	110.5	I258 S259 K264 E265 G266 I386 H389	I258-A262 WeakPolarHBondContact O-CB 3.35Å; I258-A262 PolarHBondContact O-N 3.34Å; S259-A262 PolarHBondContact O-N 2.89Å; S259-A262 VanDerWaalsContact O-N 3.11Å; A262-K264 VanDerWaalsContact C-N 3.35Å; A262-K264 PolarHBondContact O-N 3.34Å; A262-E265 CarbonylContact O-C 3.42Å; A262-E265 WeakPolarHBondContact O-CA 3.39Å; A262-E265 WeakPolarHBondContact O-CB 3.49Å; A262-E265 PolarHBondContact O-N 3.17Å; A262-E265 VanDerWaalsContact O-N 3.11Å; A262-G266 PolarHBondContact O-N 2.72Å; A262-I386 HydrophobicContact CB-CG1 4.36Å; A262-H389 VanDerWaalsContact C-CB 3.49Å; A262-H389 HydrophobicContact CB-CB 4.12Å; A262-H389 WeakPolarHBondContact O-CB 3.3Å
263	E	94	Very high	92.9	Very high	84 Å²	84	56 Å²	56	39%	0.393	28%	0.277	S	S	.	.	H	α-helix	trans	-57.9	-44.6	177.7	-74	167.5	-141.2	0	0	112.1	S259 A261 G266 F267 S385	S259-E263 WeakPolarHBondContact O-CB 3.48Å; S259-E263 WeakPolarHBondContact O-CG 3.22Å; S259-E263 PolarHBondContact O-N 3.27Å; S259-E263 PolarHBondContact OG-OE1 2.85Å; A261-E263 VanDerWaalsContact C-N 3.34Å; E263-G266 PolarHBondContact O-N 3.45Å; E263-F267 WeakPolarHBondContact O-CB 3.12Å; E263-F267 PolarHBondContact O-N 3.36Å; E263-S385 WeakPolarHBondContact CG-OG 3.43Å; E263-S385 WeakPolarHBondContact OE1-CB 3.34Å; E263-S385 PolarHBondContact OE1-OG 2.74Å
264	K	93.3	Very high	92.8	Very high	125 Å²	125	61.3 Å²	61.3	54%	0.543	29%	0.291	S	S	.	.	H	α-helix	trans	-62	-44.3	173.6	-69.8	160.6	-163.6	158	0	111.5	D260 A261 A262 G266 F267 E268	D260-K264 WeakPolarHBondContact O-CD 3.47Å; D260-K264 WeakPolarHBondContact O-CE 3.37Å; D260-K264 WeakPolarHBondContact O-CG 3.48Å; D260-K264 PolarHBondContact O-N 3.1Å; A261-K264 PolarHBondContact O-N 3Å; A262-K264 VanDerWaalsContact C-N 3.35Å; A262-K264 PolarHBondContact O-N 3.34Å; K264-G266 VanDerWaalsContact C-N 3.27Å; K264-G266 PolarHBondContact O-N 2.83Å; K264-F267 PolarHBondContact O-N 2.74Å; K264-E268 WeakPolarHBondContact O-CB 3.24Å; K264-E268 WeakPolarHBondContact O-CG 3.4Å; K264-E268 PolarHBondContact O-N 2.75Å
265	E	90.7	Very high	92.7	Very high	27 Å²	27	70.2 Å²	70.2	13%	0.126	33%	0.325	C	S	.	.	H	α-helix	trans	-62.1	-32.9	174.1	-171.8	-177.9	-146.8	0	0	112.9	A261 A262 R269 S390 K391	A261-E265 PolarHBondContact O-N 3.01Å; A262-E265 CarbonylContact O-C 3.42Å; A262-E265 WeakPolarHBondContact O-CA 3.39Å; A262-E265 WeakPolarHBondContact O-CB 3.49Å; A262-E265 PolarHBondContact O-N 3.17Å; A262-E265 VanDerWaalsContact O-N 3.11Å; E265-R269 WeakPolarHBondContact O-CB 3.35Å; E265-R269 WeakPolarHBondContact O-CG 3.06Å; E265-R269 PolarHBondContact O-N 2.81Å; E265-R269 PolarHBondContact O-NE 3.22Å; E265-S390 WeakPolarHBondContact OE2-CA 3.46Å; E265-K391 HydrophobicContact CG-CG 4.32Å; E265-K391 VanDerWaalsContact CG-NZ 3.3Å; E265-K391 VanDerWaalsContact OE1-CD 3.29Å; E265-K391 WeakPolarHBondContact OE1-CD 3.42Å; E265-K391 VanDerWaalsContact OE1-CE 3.31Å; E265-K391 WeakPolarHBondContact OE1-CE 3.43Å; E265-K391 VanDerWaalsContact OE1-CG 3.26Å; E265-K391 WeakPolarHBondContact OE1-CG 3.16Å; E265-K391 IonicContact OE1-NZ 3.84Å; E265-K391 PolarHBondContact OE1-NZ 3.44Å; E265-K391 PolarHBondContact OE2-N 3.11Å
266	G	89.6	Confident	92.5	Very high	2 Å²	2	75.8 Å²	75.8	2%	0.021	35%	0.349	C	S	.	.	H	α-helix	trans	-69.9	-45.1	173.8	0	0	0	0	0	113.1	A262 E263 K264 T270	A262-G266 PolarHBondContact O-N 2.72Å; E263-G266 PolarHBondContact O-N 3.45Å; K264-G266 VanDerWaalsContact C-N 3.27Å; K264-G266 PolarHBondContact O-N 2.83Å; G266-T270 WeakPolarHBondContact O-CB 3.44Å; G266-T270 PolarHBondContact O-N 3.43Å; G266-T270 VanDerWaalsContact O-N 3.1Å; G266-T270 PolarHBondContact O-OG1 3.25Å
267	F	92.6	Very high	92.4	Very high	145 Å²	145	79.6 Å²	79.6	64%	0.636	36%	0.362	S	S	*	.	H	α-helix	trans	-64.2	-51.6	177	-177.2	-97.1	0	0	0	111.5	E263 K264 R269 T270 E271	E263-F267 WeakPolarHBondContact O-CB 3.12Å; E263-F267 PolarHBondContact O-N 3.36Å; K264-F267 PolarHBondContact O-N 2.74Å; F267-R269 VanDerWaalsContact C-N 3.32Å; F267-R269 PolarHBondContact O-N 2.93Å; F267-T270 PolarHBondContact O-N 2.77Å; F267-E271 HydrophobicContact CE1-CG 4.22Å; F267-E271 HydrophobicContact CE2-CG 4.47Å; F267-E271 HydrophobicContact CZ-CG 4.07Å; F267-E271 PolarHBondContact O-N 3.09Å
268	E	91.9	Very high	92.4	Very high	134 Å²	134	79.5 Å²	79.5	63%	0.626	37%	0.368	S	S	*	.	H	α-helix	trans	-56	-44.1	177.2	-74.6	179.6	-177.6	0	0	112.2	K264 T270 E272	K264-E268 WeakPolarHBondContact O-CB 3.24Å; K264-E268 WeakPolarHBondContact O-CG 3.4Å; K264-E268 PolarHBondContact O-N 2.75Å; E268-T270 VanDerWaalsContact C-N 3.34Å; E268-T270 PolarHBondContact O-N 3.34Å; E268-E272 WeakPolarHBondContact O-CB 3.39Å; E268-E272 PolarHBondContact O-N 3.42Å
269	R	89.9	Confident	92.2	Very high	33 Å²	33	83 Å²	83	13%	0.125	39%	0.39	C	S	.	.	H	α-helix	trans	-58.5	-45	173.5	-89.5	-168.9	-67.4	132.5	-0.5	112.4	E265 F267 E272 I273 H389 K391	E265-R269 WeakPolarHBondContact O-CB 3.35Å; E265-R269 WeakPolarHBondContact O-CG 3.06Å; E265-R269 PolarHBondContact O-N 2.81Å; E265-R269 PolarHBondContact O-NE 3.22Å; F267-R269 VanDerWaalsContact C-N 3.32Å; F267-R269 PolarHBondContact O-N 2.93Å; R269-E272 PolarHBondContact O-N 3.46Å; R269-I273 WeakPolarHBondContact O-CB 3.47Å; R269-I273 WeakPolarHBondContact O-CD1 3.49Å; R269-I273 VanDerWaalsContact O-CG1 3.24Å; R269-I273 WeakPolarHBondContact O-CG1 3.24Å; R269-I273 PolarHBondContact O-N 3.5Å; R269-H389 PolarHBondContact NH2-O 3.34Å; R269-K391 VanDerWaalsContact CD-CE 3.43Å; R269-K391 VanDerWaalsContact CG-CE 3.49Å
270	T	90.7	Very high	92	Very high	85 Å²	85	84.8 Å²	84.8	52%	0.521	40%	0.404	S	S	.	.	H	α-helix	trans	-67.5	-44.2	-173.3	-57	0	0	0	0	110.4	G266 F267 E268 I273 R274	G266-T270 WeakPolarHBondContact O-CB 3.44Å; G266-T270 PolarHBondContact O-N 3.43Å; G266-T270 VanDerWaalsContact O-N 3.1Å; G266-T270 PolarHBondContact O-OG1 3.25Å; F267-T270 PolarHBondContact O-N 2.77Å; E268-T270 VanDerWaalsContact C-N 3.34Å; E268-T270 PolarHBondContact O-N 3.34Å; T270-I273 PolarHBondContact O-N 2.85Å; T270-R274 WeakPolarHBondContact O-CB 3.17Å; T270-R274 PolarHBondContact O-N 2.92Å
271	E	91.8	Very high	91.8	Very high	72 Å²	72	87.2 Å²	87.2	34%	0.336	41%	0.413	S	S	.	.	H	α-helix	trans	-69.1	-33.9	173.6	-76.8	-61.1	126.1	0	0	112.9	F267 I273 R274 R275	F267-E271 HydrophobicContact CE1-CG 4.22Å; F267-E271 HydrophobicContact CE2-CG 4.47Å; F267-E271 HydrophobicContact CZ-CG 4.07Å; F267-E271 PolarHBondContact O-N 3.09Å; E271-I273 PolarHBondContact O-N 3.36Å; E271-R274 PolarHBondContact O-N 2.93Å; E271-R274 WeakPolarHBondContact OE1-CD 3.44Å; E271-R274 IonicContact OE1-CZ 3.9Å; E271-R274 IonicContact OE1-NE 2.66Å; E271-R274 IonicContact OE1-NH1 2.87Å; E271-R274 PolarHBondContact OE1-NH1 3.15Å; E271-R274 IonicContact OE2-NH1 3Å; E271-R275 VanDerWaalsContact O-CB 3.24Å; E271-R275 WeakPolarHBondContact O-CB 3.4Å; E271-R275 PolarHBondContact O-N 3.17Å
272	E	91.8	Very high	91.5	Very high	104 Å²	104	91 Å²	91	49%	0.486	43%	0.427	S	S	.	.	H	α-helix	trans	-65.3	-38.9	173.1	-156.1	-148.5	-175.1	0	0	111.8	E268 R269 K276	E268-E272 WeakPolarHBondContact O-CB 3.39Å; E268-E272 PolarHBondContact O-N 3.42Å; R269-E272 PolarHBondContact O-N 3.46Å; E272-K276 VanDerWaalsContact CD-CE 3.42Å; E272-K276 HydrophobicContact CG-CD 4.5Å; E272-K276 WeakPolarHBondContact O-CB 3.49Å; E272-K276 WeakPolarHBondContact O-CD 3.41Å; E272-K276 VanDerWaalsContact O-CG 3.22Å; E272-K276 WeakPolarHBondContact O-CG 3.43Å; E272-K276 PolarHBondContact O-N 3.02Å; E272-K276 WeakPolarHBondContact OE1-CE 3.3Å; E272-K276 IonicContact OE1-NZ 3.82Å; E272-K276 PolarHBondContact OE1-NZ 2.98Å; E272-K276 IonicContact OE2-NZ 2.6Å; E272-K276 PolarHBondContact OE2-NZ 2.88Å
273	I	90.7	Very high	91.3	Very high	86 Å²	86	94.9 Å²	94.9	44%	0.441	45%	0.451	S	S	.	.	H	α-helix	trans	-65.1	-48.5	174	-70.4	163.8	0	0	0	110.4	R269 T270 E271 R275 K276 Q277	R269-I273 WeakPolarHBondContact O-CB 3.47Å; R269-I273 WeakPolarHBondContact O-CD1 3.49Å; R269-I273 VanDerWaalsContact O-CG1 3.24Å; R269-I273 WeakPolarHBondContact O-CG1 3.24Å; R269-I273 PolarHBondContact O-N 3.5Å; T270-I273 PolarHBondContact O-N 2.85Å; E271-I273 PolarHBondContact O-N 3.36Å; I273-R275 PolarHBondContact O-N 3.03Å; I273-K276 WeakPolarHBondContact O-CB 3.22Å; I273-K276 PolarHBondContact O-N 2.8Å; I273-Q277 WeakPolarHBondContact O-CG 3.43Å; I273-Q277 PolarHBondContact O-N 3.02Å
274	R	93.1	Very high	90.9	Very high	141 Å²	141	100.1 Å²	100.1	53%	0.532	47%	0.467	S	S	.	.	H	α-helix	trans	-57.1	-47.2	176.9	-174.3	-173.5	-174.3	177.8	1	111.7	T270 E271 K276 Q277 L278	T270-R274 WeakPolarHBondContact O-CB 3.17Å; T270-R274 PolarHBondContact O-N 2.92Å; E271-R274 PolarHBondContact O-N 2.93Å; E271-R274 WeakPolarHBondContact OE1-CD 3.44Å; E271-R274 IonicContact OE1-CZ 3.9Å; E271-R274 IonicContact OE1-NE 2.66Å; E271-R274 IonicContact OE1-NH1 2.87Å; E271-R274 PolarHBondContact OE1-NH1 3.15Å; E271-R274 IonicContact OE2-NH1 3Å; R274-K276 VanDerWaalsContact C-N 3.34Å; R274-K276 PolarHBondContact O-N 3.16Å; R274-Q277 WeakPolarHBondContact O-CB 3.35Å; R274-Q277 PolarHBondContact O-N 3.43Å; R274-Q277 VanDerWaalsContact O-N 3.16Å; R274-L278 PolarHBondContact O-N 3.18Å
275	R	93.6	Very high	90.3	Very high	188 Å²	188	97.5 Å²	97.5	71%	0.709	46%	0.464	S	S	*	.	H	α-helix	trans	-62	-39.4	176.6	-173.8	174.9	-177.9	163.8	3.4	112.3	E271 I273 V279	E271-R275 VanDerWaalsContact O-CB 3.24Å; E271-R275 WeakPolarHBondContact O-CB 3.4Å; E271-R275 PolarHBondContact O-N 3.17Å; I273-R275 PolarHBondContact O-N 3.03Å; R275-V279 WeakPolarHBondContact O-CG2 3.49Å; R275-V279 PolarHBondContact O-N 2.94Å; R275-V279 VanDerWaalsContact O-N 3.15Å
276	K	92.9	Very high	89.7	Confident	116 Å²	116	104.5 Å²	104.5	50%	0.504	49%	0.489	S	S	.	.	H	α-helix	trans	-66.2	-35.4	174.5	-75.4	165.8	-178	170.5	0	112.3	E272 I273 R274 A280	E272-K276 VanDerWaalsContact CD-CE 3.42Å; E272-K276 HydrophobicContact CG-CD 4.5Å; E272-K276 WeakPolarHBondContact O-CB 3.49Å; E272-K276 WeakPolarHBondContact O-CD 3.41Å; E272-K276 VanDerWaalsContact O-CG 3.22Å; E272-K276 WeakPolarHBondContact O-CG 3.43Å; E272-K276 PolarHBondContact O-N 3.02Å; E272-K276 WeakPolarHBondContact OE1-CE 3.3Å; E272-K276 IonicContact OE1-NZ 3.82Å; E272-K276 PolarHBondContact OE1-NZ 2.98Å; E272-K276 IonicContact OE2-NZ 2.6Å; E272-K276 PolarHBondContact OE2-NZ 2.88Å; I273-K276 WeakPolarHBondContact O-CB 3.22Å; I273-K276 PolarHBondContact O-N 2.8Å; R274-K276 VanDerWaalsContact C-N 3.34Å; R274-K276 PolarHBondContact O-N 3.16Å; K276-A280 WeakPolarHBondContact O-CB 3.32Å; K276-A280 PolarHBondContact O-N 2.97Å; K276-A280 VanDerWaalsContact O-N 3.07Å
277	Q	91.7	Very high	88.8	Confident	123 Å²	123	106.1 Å²	106.1	58%	0.575	51%	0.506	S	S	*	.	H	α-helix	trans	-65.9	-48.6	175.1	-71.9	167.6	-16.7	0	0	111.5	I273 R274 V279 A280 E281	I273-Q277 WeakPolarHBondContact O-CG 3.43Å; I273-Q277 PolarHBondContact O-N 3.02Å; R274-Q277 WeakPolarHBondContact O-CB 3.35Å; R274-Q277 PolarHBondContact O-N 3.43Å; R274-Q277 VanDerWaalsContact O-N 3.16Å; Q277-V279 PolarHBondContact O-N 3.42Å; Q277-A280 CarbonylContact O-C 3.56Å; Q277-A280 WeakPolarHBondContact O-CB 3.14Å; Q277-A280 PolarHBondContact O-N 2.8Å; Q277-A280 VanDerWaalsContact O-N 3.1Å; Q277-E281 PolarHBondContact O-N 3.08Å
278	L	92.3	Very high	87.8	Confident	95 Å²	95	108.2 Å²	108.2	50%	0.497	51%	0.509	S	S	.	.	H	α-helix	trans	-58	-46.3	177.5	-68.4	170.1	0	0	0	112.3	R274 A280 E281 E282	R274-L278 PolarHBondContact O-N 3.18Å; L278-A280 VanDerWaalsContact C-N 3.3Å; L278-A280 PolarHBondContact O-N 3.38Å; L278-E281 PolarHBondContact O-N 3.1Å; L278-E281 VanDerWaalsContact O-N 3.08Å; L278-E282 PolarHBondContact O-N 3.07Å
279	V	91.5	Very high	86.4	Confident	76 Å²	76	104 Å²	104	46%	0.461	50%	0.497	S	S	.	.	H	α-helix	trans	-65.1	-33.5	176.6	174	0	0	0	0	112.1	R275 Q277 E281 T283	R275-V279 WeakPolarHBondContact O-CG2 3.49Å; R275-V279 PolarHBondContact O-N 2.94Å; R275-V279 VanDerWaalsContact O-N 3.15Å; Q277-V279 PolarHBondContact O-N 3.42Å; V279-E281 VanDerWaalsContact C-N 3.32Å; V279-T283 WeakPolarHBondContact O-CB 3.37Å; V279-T283 WeakPolarHBondContact O-CG2 3.49Å; V279-T283 PolarHBondContact O-N 2.92Å; V279-T283 VanDerWaalsContact O-N 3.09Å; V279-T283 PolarHBondContact O-OG1 3.23Å
280	A	89.9	Confident	85	Confident	37 Å²	37	109.5 Å²	109.5	31%	0.306	52%	0.522	S	S	.	.	H	α-helix	trans	-69.1	-30.5	173.2	0	0	0	0	0	112.4	K276 Q277 L278 T283 R284	K276-A280 WeakPolarHBondContact O-CB 3.32Å; K276-A280 PolarHBondContact O-N 2.97Å; K276-A280 VanDerWaalsContact O-N 3.07Å; Q277-A280 CarbonylContact O-C 3.56Å; Q277-A280 WeakPolarHBondContact O-CB 3.14Å; Q277-A280 PolarHBondContact O-N 2.8Å; Q277-A280 VanDerWaalsContact O-N 3.1Å; L278-A280 VanDerWaalsContact C-N 3.3Å; L278-A280 PolarHBondContact O-N 3.38Å; A280-T283 WeakPolarHBondContact CA-OG1 3.37Å; A280-T283 PolarHBondContact O-OG1 2.85Å; A280-R284 WeakPolarHBondContact O-CB 3.39Å; A280-R284 VanDerWaalsContact O-CD 3.3Å; A280-R284 WeakPolarHBondContact O-CD 3.45Å; A280-R284 WeakPolarHBondContact O-CG 3.48Å; A280-R284 PolarHBondContact O-N 3.22Å; A280-R284 VanDerWaalsContact O-N 3.14Å
281	E	89.4	Confident	83.5	Confident	132 Å²	132	109.5 Å²	109.5	62%	0.617	52%	0.522	S	S	*	.	H	α-helix	trans	-77	-44.6	176.2	-172.6	158.6	-148.1	0	0	112.3	Q277 L278 V279 T283 R284 S285	Q277-E281 PolarHBondContact O-N 3.08Å; L278-E281 PolarHBondContact O-N 3.1Å; L278-E281 VanDerWaalsContact O-N 3.08Å; V279-E281 VanDerWaalsContact C-N 3.32Å; E281-T283 VanDerWaalsContact C-N 3.3Å; E281-T283 PolarHBondContact O-N 3.07Å; E281-R284 PolarHBondContact O-N 3.14Å; E281-S285 PolarHBondContact O-N 3.37Å; E281-S285 PolarHBondContact O-OG 3.45Å
282	E	88.3	Confident	81.9	Confident	100 Å²	100	112.6 Å²	112.6	47%	0.467	53%	0.534	S	S	.	.	H	α-helix	trans	-57.8	-40	171.7	-74.3	-177.5	-165.9	0	0	112.8	L278 S285 R286	L278-E282 PolarHBondContact O-N 3.07Å; E282-S285 WeakPolarHBondContact CA-OG 3.39Å; E282-S285 PolarHBondContact O-OG 3.24Å; E282-S285 VanDerWaalsContact O-OG 3.07Å; E282-R286 WeakPolarHBondContact O-CB 3.44Å; E282-R286 VanDerWaalsContact O-CG 3.26Å; E282-R286 WeakPolarHBondContact O-CG 2.95Å; E282-R286 PolarHBondContact O-N 2.94Å
283	T	86.8	Confident	80.2	Confident	88 Å²	88	112.8 Å²	112.8	54%	0.54	54%	0.539	S	S	.	.	H	α-helix	trans	-74.1	-33.7	178.3	48.3	0	0	0	0	112.2	V279 A280 E281 G287	V279-T283 WeakPolarHBondContact O-CB 3.37Å; V279-T283 WeakPolarHBondContact O-CG2 3.49Å; V279-T283 PolarHBondContact O-N 2.92Å; V279-T283 VanDerWaalsContact O-N 3.09Å; V279-T283 PolarHBondContact O-OG1 3.23Å; A280-T283 WeakPolarHBondContact CA-OG1 3.37Å; A280-T283 PolarHBondContact O-OG1 2.85Å; E281-T283 VanDerWaalsContact C-N 3.3Å; E281-T283 PolarHBondContact O-N 3.07Å; T283-G287 PolarHBondContact O-N 2.9Å
284	R	85.8	Confident	78.5	Confident	194 Å²	194	113.8 Å²	113.8	73%	0.732	54%	0.544	S	S	*	.	H	α-helix	trans	-66	-44.4	170.6	-77.5	167.6	176.7	-174.5	-2.6	112.4	A280 E281 G287 R288	A280-R284 WeakPolarHBondContact O-CB 3.39Å; A280-R284 VanDerWaalsContact O-CD 3.3Å; A280-R284 WeakPolarHBondContact O-CD 3.45Å; A280-R284 WeakPolarHBondContact O-CG 3.48Å; A280-R284 PolarHBondContact O-N 3.22Å; A280-R284 VanDerWaalsContact O-N 3.14Å; E281-R284 PolarHBondContact O-N 3.14Å; R284-G287 PolarHBondContact O-N 3.34Å; R284-R288 WeakPolarHBondContact O-CB 3.49Å; R284-R288 PolarHBondContact O-N 2.97Å
285	S	81.2	Confident	76.6	Confident	70 Å²	70	111.7 Å²	111.7	49%	0.49	54%	0.544	S	S	.	.	H	α-helix	trans	-68.1	-43.4	-179.9	63.8	0	0	0	0	111.7	E281 E282 G287 R288 A289	E281-S285 PolarHBondContact O-N 3.37Å; E281-S285 PolarHBondContact O-OG 3.45Å; E282-S285 WeakPolarHBondContact CA-OG 3.39Å; E282-S285 PolarHBondContact O-OG 3.24Å; E282-S285 VanDerWaalsContact O-OG 3.07Å; S285-G287 VanDerWaalsContact C-N 3.33Å; S285-G287 PolarHBondContact O-N 3.01Å; S285-R288 PolarHBondContact O-N 2.87Å; S285-A289 WeakPolarHBondContact O-CB 3.29Å; S285-A289 PolarHBondContact O-N 2.98Å
286	R	77.8	Confident	74.7	Confident	174 Å²	174	107.9 Å²	107.9	66%	0.657	54%	0.541	S	S	*	.	H	α-helix	trans	-62.5	-36.1	171.7	-72.4	175.9	178.6	177.7	4.2	113	E282 K290	E282-R286 WeakPolarHBondContact O-CB 3.44Å; E282-R286 VanDerWaalsContact O-CG 3.26Å; E282-R286 WeakPolarHBondContact O-CG 2.95Å; E282-R286 PolarHBondContact O-N 2.94Å; R286-K290 PolarHBondContact O-N 3.44Å
287	G	72.2	Confident	72.6	Confident	35 Å²	35	108.8 Å²	108.8	36%	0.361	55%	0.551	S	S	.	*	H	α-helix	trans	-63.4	-47.5	171.9	0	0	0	0	0	112.2	T283 R284 S285 A289 K290 V291	T283-G287 PolarHBondContact O-N 2.9Å; R284-G287 PolarHBondContact O-N 3.34Å; S285-G287 VanDerWaalsContact C-N 3.33Å; S285-G287 PolarHBondContact O-N 3.01Å; G287-A289 VanDerWaalsContact C-N 3.34Å; G287-A289 PolarHBondContact O-N 2.94Å; G287-K290 PolarHBondContact O-N 3.13Å; G287-V291 WeakPolarHBondContact O-CG2 3.18Å; G287-V291 PolarHBondContact O-N 3.16Å; G287-V291 VanDerWaalsContact O-N 3.16Å
288	R	70.3	Confident	70.6	Confident	189 Å²	189	110.6 Å²	110.6	71%	0.713	56%	0.559	S	S	*	*	H	α-helix	trans	-66.8	-31.9	178.9	-164.2	177.2	-172.5	-169.8	2.5	113	R284 S285 K292	R284-R288 WeakPolarHBondContact O-CB 3.49Å; R284-R288 PolarHBondContact O-N 2.97Å; S285-R288 PolarHBondContact O-N 2.87Å; R288-K292 PolarHBondContact O-N 3.35Å; R288-K292 VanDerWaalsContact O-N 3.13Å
289	A	63.6	Low	68.6	Low	45 Å²	45	110.1 Å²	110.1	37%	0.372	57%	0.569	S	S	.	*	H	α-helix	trans	-62.7	-52.7	172.1	0	0	0	0	0	111.1	S285 G287 V291 K292 D293	S285-A289 WeakPolarHBondContact O-CB 3.29Å; S285-A289 PolarHBondContact O-N 2.98Å; G287-A289 VanDerWaalsContact C-N 3.34Å; G287-A289 PolarHBondContact O-N 2.94Å; A289-V291 VanDerWaalsContact C-N 3.27Å; A289-V291 PolarHBondContact O-N 3.19Å; A289-K292 WeakPolarHBondContact O-CA 3.43Å; A289-K292 WeakPolarHBondContact O-CB 3.49Å; A289-K292 PolarHBondContact O-N 3.18Å; A289-D293 PolarHBondContact O-N 3.04Å
290	K	60.1	Low	66.5	Low	150 Å²	150	109.9 Å²	109.9	65%	0.652	58%	0.575	S	S	*	*	H	α-helix	trans	-58.4	-35.8	178.2	-72.3	-172.2	172.4	-163.5	0	114	R286 G287 L294	R286-K290 PolarHBondContact O-N 3.44Å; G287-K290 PolarHBondContact O-N 3.13Å; K290-L294 PolarHBondContact O-N 3.22Å
291	V	59.6	Low	64.6	Low	85 Å²	85	116.8 Å²	116.8	52%	0.515	60%	0.601	S	S	.	*	H	α-helix	trans	-68.1	-37.9	174.3	174.3	0	0	0	0	111.1	G287 A289 L294 N295	G287-V291 WeakPolarHBondContact O-CG2 3.18Å; G287-V291 PolarHBondContact O-N 3.16Å; G287-V291 VanDerWaalsContact O-N 3.16Å; A289-V291 VanDerWaalsContact C-N 3.27Å; A289-V291 PolarHBondContact O-N 3.19Å; V291-L294 PolarHBondContact O-N 3.24Å; V291-N295 WeakPolarHBondContact CG1-OD1 3.18Å; V291-N295 WeakPolarHBondContact O-CB 3.14Å; V291-N295 PolarHBondContact O-N 3.36Å; V291-N295 PolarHBondContact O-OD1 2.96Å
292	K	56.8	Low	62.6	Low	137 Å²	137	118.4 Å²	118.4	60%	0.596	61%	0.613	S	S	*	*	H	α-helix	trans	-63.1	-44.7	173	-76.7	-174.7	168.3	-162.1	0	112.3	R288 A289 L294 N295 V296	R288-K292 PolarHBondContact O-N 3.35Å; R288-K292 VanDerWaalsContact O-N 3.13Å; A289-K292 WeakPolarHBondContact O-CA 3.43Å; A289-K292 WeakPolarHBondContact O-CB 3.49Å; A289-K292 PolarHBondContact O-N 3.18Å; K292-L294 VanDerWaalsContact C-N 3.27Å; K292-L294 PolarHBondContact O-N 2.96Å; K292-N295 PolarHBondContact O-N 3.46Å; K292-V296 WeakPolarHBondContact O-CG2 3.18Å; K292-V296 PolarHBondContact O-N 2.71Å
293	D	56.6	Low	60.6	Low	108 Å²	108	120.8 Å²	120.8	58%	0.578	63%	0.629	S	S	*	*	H	α-helix	trans	-62.5	-35.7	-179.4	-57.9	-30.9	0	0	0	111.9	A289	A289-D293 PolarHBondContact O-N 3.04Å
294	L	54.7	Low	58.7	Low	107 Å²	107	122.6 Å²	122.6	56%	0.56	64%	0.641	S	S	*	*	H	α-helix	trans	-68.5	-49.7	171.8	-87.5	152.8	0	0	0	112.3	K290 V291 K292 V296 L297 E298	K290-L294 PolarHBondContact O-N 3.22Å; V291-L294 PolarHBondContact O-N 3.24Å; K292-L294 VanDerWaalsContact C-N 3.27Å; K292-L294 PolarHBondContact O-N 2.96Å; L294-V296 PolarHBondContact O-N 2.85Å; L294-L297 PolarHBondContact O-N 3.47Å; L294-E298 PolarHBondContact O-N 3.01Å
295	N	53.1	Low	56.7	Low	97 Å²	97	117.7 Å²	117.7	52%	0.519	64%	0.641	S	S	.	*	H	α-helix	trans	-66.3	-15.6	-178.7	-82.9	82.9	0	0	0	114.6	V291 K292	V291-N295 WeakPolarHBondContact CG1-OD1 3.18Å; V291-N295 WeakPolarHBondContact O-CB 3.14Å; V291-N295 PolarHBondContact O-N 3.36Å; V291-N295 PolarHBondContact O-OD1 2.96Å; K292-N295 PolarHBondContact O-N 3.46Å
296	V	53.7	Low	55	Low	107 Å²	107	121.8 Å²	121.8	65%	0.648	66%	0.658	S	S	*	*	H	α-helix	trans	-80.5	-24.7	171.9	169.5	0	0	0	0	112	K292 L294	K292-V296 WeakPolarHBondContact O-CG2 3.18Å; K292-V296 PolarHBondContact O-N 2.71Å; L294-V296 PolarHBondContact O-N 2.85Å
297	L	48.7	Very low	53.4	Low	136 Å²	136	119.2 Å²	119.2	71%	0.712	66%	0.663	S	S	*	*	H	α-helix	trans	-84.7	-21.8	179.6	-69.3	168.1	0	0	0	113.6	L294	L294-L297 PolarHBondContact O-N 3.47Å
298	E	50.2	Low	52	Low	160 Å²	160	121.7 Å²	121.7	75%	0.748	68%	0.681	S	S	*	*	S	Bend	trans	-90.9	-3.1	178.5	-66.5	-177.1	149.6	0	0	113.7	L294	L294-E298 PolarHBondContact O-N 3.01Å
299	A	50.5	Low	50.8	Low	86 Å²	86	120.2 Å²	120.2	71%	0.711	69%	0.686	S	S	*	*	S	Bend	trans	-102.5	15	-176.4	0	0	0	0	0	114.3
300	A	48.1	Very low	49.8	Very low	70 Å²	70	126.8 Å²	126.8	58%	0.579	71%	0.709	S	S	*	*	S	Bend	trans	-126.4	21.9	-165.7	0	0	0	0	0	114.9
301	H	49.3	Very low	49.1	Very low	183 Å²	183	125 Å²	125	85%	0.847	72%	0.716	S	S	*	*			trans	-145.4	82.8	174.8	-82.9	-56.9	0	0	0	112.4
302	D	46.7	Very low	48.4	Very low	165 Å²	165	126.2 Å²	126.2	88%	0.882	73%	0.725	S	S	*	*			trans	-161.1	84.8	147.9	-127.1	-6.7	0	0	0	108.6
303	D	47.7	Very low	47.8	Very low	151 Å²	151	125.1 Å²	125.1	81%	0.807	74%	0.735	S	S	*	*				-167.1	149.7	125.7	-124.1	-43.6	0	0	0	113.7
304	T	45.8	Very low	47.3	Very low	126 Å²	126	125.3 Å²	125.3	77%	0.773	74%	0.742	S	S	*	*			trans	-55.8	164.7	-166.1	46.5	0	0	0	0	121.4
305	A	44.6	Very low	46.7	Very low	91 Å²	91	125.5 Å²	125.5	75%	0.752	75%	0.748	S	S	*	*			trans	69.8	136.2	171.4	0	0	0	0	0	117.5
306	D	45.9	Very low	46.2	Very low	156 Å²	156	126.6 Å²	126.6	83%	0.834	76%	0.758	S	S	*	*			cis	-144.3	166.2	16.2	-107.7	-34.7	0	0	0	113.2
307	P	42.2	Very low	45.9	Very low	119 Å²	119	126.8 Å²	126.8	77%	0.773	76%	0.762	S	S	*	*			trans	-117.4	116.5	-174.6	37.3	-24.4	0	0	0	116.4
308	A	44.8	Very low	45.6	Very low	88 Å²	88	126 Å²	126	73%	0.727	77%	0.767	S	S	*	*			trans	-162.1	155.3	162.7	0	0	0	0	0	114.5
309	L	45.1	Very low	45.3	Very low	157 Å²	157	123.7 Å²	123.7	82%	0.822	77%	0.769	S	S	*	*			trans	62.6	116.6	163.2	-60.6	139.9	0	0	0	116.2
310	Q	42.1	Very low	45	Very low	183 Å²	183	123.6 Å²	123.6	86%	0.855	76%	0.763	S	S	*	*				59.1	128.8	53.9	-53.3	-171.9	11	0	0	113.2
311	S	45.5	Very low	44.7	Very low	113 Å²	113	129.4 Å²	129.4	79%	0.79	78%	0.775	S	S	*	*			cis	-155.4	171.7	14.3	56.1	0	0	0	0	113.3
312	P	43.7	Very low	44.3	Very low	111 Å²	111	129.3 Å²	129.3	72%	0.721	77%	0.772	S	S	*	*			trans	-128.6	154.5	-167.3	40.3	-25.4	0	0	0	118.5
313	S	45.1	Very low	43.9	Very low	113 Å²	113	126.3 Å²	126.3	79%	0.79	76%	0.76	S	S	*	*			trans	66.9	155.8	159.7	78.3	0	0	0	0	118.3
314	P	45.9	Very low	43.6	Very low	112 Å²	112	124.2 Å²	124.2	73%	0.727	76%	0.757	S	S	*	*				-131.1	-149.6	76.8	39.2	-23.9	0	0	0	111.7
315	T	41.4	Very low	43.3	Very low	111 Å²	111	122.6 Å²	122.6	68%	0.681	76%	0.757	S	S	*	*			cis	-154.7	132.2	3.3	11.7	0	0	0	0	106.4
316	T	42.9	Very low	42.9	Very low	121 Å²	121	128 Å²	128	74%	0.742	76%	0.763	S	S	*	*				63.6	157.6	78.4	72.2	0	0	0	0	117.5
317	P	47.6	Very low	42.7	Very low	111 Å²	111	126.2 Å²	126.2	72%	0.721	76%	0.763	S	S	*	*			cis	-138.5	165.3	-10	27.9	-5.2	0	0	0	118.3
318	S	42.9	Very low	42.6	Very low	118 Å²	118	126.4 Å²	126.4	83%	0.825	76%	0.757	S	S	*	*			trans	72.7	157.6	150.1	86.6	0	0	0	0	118.8
319	S	42.7	Very low	42.2	Very low	112 Å²	112	130 Å²	130	78%	0.783	76%	0.756	S	S	*	*			cis	-153	-167.1	2.5	69.4	0	0	0	0	111.3
320	S	44.9	Very low	41.8	Very low	84 Å²	84	132.4 Å²	132.4	59%	0.587	76%	0.761	S	S	*	*				-154.7	157.8	-88.2	74	0	0	0	0	112.9
321	K	42.1	Very low	41.8	Very low	192 Å²	192	133.2 Å²	133.2	84%	0.835	76%	0.761	S	S	*	*			trans	69.2	161.4	164.2	-61	167.3	-177.6	168.8	0	115
322	K	40.9	Very low	41.8	Very low	182 Å²	182	134 Å²	134	79%	0.791	76%	0.763	S	S	*	*			cis	-166.5	161	-7.9	-121.3	-166	162.9	-168.5	0	107.2
323	T	39.1	Very low	41.7	Very low	101 Å²	101	134.2 Å²	134.2	62%	0.62	77%	0.768	S	S	*	*			cis	-159.3	155.3	-11.9	-15.5	0	0	0	0	111.2
324	S	39.6	Very low	41.6	Very low	108 Å²	108	138.6 Å²	138.6	76%	0.755	77%	0.772	S	S	*	*			trans	65	144.5	139.2	67.1	0	0	0	0	125.7
325	A	39.9	Very low	41.3	Very low	92 Å²	92	136.7 Å²	136.7	76%	0.76	77%	0.774	S	S	*	*			trans	94.5	94.6	141.1	0	0	0	0	0	121.7
326	K	36.4	Very low	41.3	Very low	204 Å²	204	143 Å²	143	89%	0.887	79%	0.785	S	S	*	*			trans	20.8	121.4	137.4	-61.6	176.1	176.8	178.1	0	119.5
327	S	41.9	Very low	41.3	Very low	118 Å²	118	147.1 Å²	147.1	83%	0.825	79%	0.792	S	S	*	*				-179.6	144.1	105.4	44.7	0	0	0	0	115.3
328	D	39.2	Very low	41	Very low	123 Å²	123	153.5 Å²	153.5	66%	0.658	80%	0.802	S	S	*	*			trans	36.8	138.1	146.5	-99.8	-17.4	0	0	0	125.5
329	K	36.4	Very low	40.7	Very low	163 Å²	163	151.3 Å²	151.3	71%	0.709	80%	0.798	S	S	*	*			trans	54.5	99	139.8	-63.5	159.7	-174.1	145.7	0	119.7
330	K	37.8	Very low	40.8	Very low	209 Å²	209	157.3 Å²	157.3	91%	0.909	80%	0.804	S	S	*	*				-179.4	158.8	102.8	-95.6	152.8	-174	169.9	0	113.9
331	K	41	Very low	40.5	Very low	199 Å²	199	163.1 Å²	163.1	87%	0.865	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-66.9	136.4	176.9	-62.4	172.4	179.1	175.2	0	111.1
332	P	45.3	Very low	40.3	Very low	129 Å²	129	161.3 Å²	161.3	84%	0.838	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-66.2	144.5	164.4	29.4	-33.5	0	0	0	110.3
333	S	42.5	Very low	40.4	Very low	116 Å²	116	162.2 Å²	162.2	81%	0.811	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-86.4	160.5	-172.2	57.3	0	0	0	0	113.3	G335	S333-G335 PolarHBondContact O-N 3.08Å
334	K	43.6	Very low	40.6	Very low	205 Å²	205	162.9 Å²	162.9	89%	0.891	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-58.3	121.1	-176.2	-67.8	174.1	178.2	174.4	0	111.3	R336	K334-R336 PolarHBondContact O-N 3.16Å
335	G	38.9	Very low	41.1	Very low	73 Å²	73	167.4 Å²	167.4	75%	0.753	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-56	122.3	174.5	0	0	0	0	0	112.2	S333 K337	S333-G335 PolarHBondContact O-N 3.08Å; G335-K337 PolarHBondContact O-N 3.06Å
336	R	41.3	Very low	41.4	Very low	242 Å²	242	167.1 Å²	167.1	91%	0.913	83%	0.829	S	S	*	*			trans	-66.6	100.8	179.6	-68.3	167.3	84.3	170.4	5	109.6	K334 R338	K334-R336 PolarHBondContact O-N 3.16Å; R336-R338 PolarHBondContact O-N 3.41Å; R336-R338 VanDerWaalsContact O-N 3.09Å
337	K	43.7	Very low	42.7	Very low	208 Å²	208	164.8 Å²	164.8	90%	0.904	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-55	116.6	167.4	-82.4	-176.1	173.7	178	0	108.5	G335 G339	G335-K337 PolarHBondContact O-N 3.06Å; K337-G339 PolarHBondContact O-N 3.14Å
338	R	41.6	Very low	43.8	Very low	246 Å²	246	163.7 Å²	163.7	93%	0.928	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-56	124.1	175.8	-74	178.4	169.8	175.8	-4.4	108.8	R336 R340	R336-R338 PolarHBondContact O-N 3.41Å; R336-R338 VanDerWaalsContact O-N 3.09Å; R338-R340 PolarHBondContact O-N 3.39Å
339	G	36.1	Very low	45.4	Very low	71 Å²	71	159.4 Å²	159.4	73%	0.732	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-62.6	127.2	179.3	0	0	0	0	0	110.9	K337 K341	K337-G339 PolarHBondContact O-N 3.14Å; G339-K341 PolarHBondContact O-N 2.57Å
340	R	43.7	Very low	47.2	Very low	239 Å²	239	155.9 Å²	155.9	90%	0.902	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-59	120.3	162.6	-90.5	179.4	164	165.6	-5.6	107.2	R338 N342	R338-R340 PolarHBondContact O-N 3.39Å; R340-N342 PolarHBondContact O-N 2.78Å
341	K	39.1	Very low	49	Very low	205 Å²	205	149.3 Å²	149.3	89%	0.891	76%	0.759	S	S	*	*			trans	-58.5	114.1	164.8	-71.2	-174.5	177.4	-176.4	0	106.9	G339 K343	G339-K341 PolarHBondContact O-N 2.57Å; K341-K343 PolarHBondContact O-N 2.89Å; K341-K343 VanDerWaalsContact O-N 3.1Å
342	N	38.5	Very low	50.6	Low	154 Å²	154	140.4 Å²	140.4	82%	0.824	72%	0.724	S	S	*	*			trans	-60.4	115.9	166.5	-79.5	-17.8	0	0	0	106.8	R340 S344	R340-N342 PolarHBondContact O-N 2.78Å; N342-S344 PolarHBondContact O-N 2.77Å; N342-S344 VanDerWaalsContact O-N 3.17Å
343	K	43.6	Very low	52.4	Low	201 Å²	201	136.3 Å²	136.3	87%	0.874	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-56.2	122.6	159.8	-84.3	-170.9	171.7	-172.9	0	105.9	K341 K345	K341-K343 PolarHBondContact O-N 2.89Å; K341-K343 VanDerWaalsContact O-N 3.1Å; K343-K345 PolarHBondContact O-N 2.7Å; K343-K345 VanDerWaalsContact O-N 3.16Å
344	S	42.3	Very low	54.5	Low	116 Å²	116	132.9 Å²	132.9	81%	0.811	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-53.6	122.3	167.3	34.4	0	0	0	0	107.4	N342 S346	N342-S344 PolarHBondContact O-N 2.77Å; N342-S344 VanDerWaalsContact O-N 3.17Å; S344-S346 PolarHBondContact O-N 3.37Å
345	K	50.1	Low	56.8	Low	203 Å²	203	123.2 Å²	123.2	88%	0.883	63%	0.626	S	S	*	*	P	Polyproline II helix	trans	-59.9	137	166.6	-73.7	-172.6	174.9	-173.4	0	106.9	K343 L347	K343-K345 PolarHBondContact O-N 2.7Å; K343-K345 VanDerWaalsContact O-N 3.16Å; K345-L347 PolarHBondContact O-N 3.42Å
346	S	47.2	Very low	59.4	Low	86 Å²	86	120.1 Å²	120.1	60%	0.601	59%	0.594	S	S	*	*	P	Polyproline II helix	trans	-50.9	135.2	169.1	-177.8	0	0	0	0	109.1	S344 F348	S344-S346 PolarHBondContact O-N 3.37Å; S346-F348 WeakPolarHBondContact OG-CB 3.29Å; S346-F348 PolarHBondContact OG-N 3.12Å; S346-F348 VanDerWaalsContact OG-N 3.15Å; S346-F348 PolarHBondContact OG-O 2.92Å
347	L	62.2	Low	62	Low	155 Å²	155	109.2 Å²	109.2	81%	0.812	55%	0.554	S	S	*	*	S	Bend	trans	-78.1	-13.1	171.9	-159.4	71.5	0	0	0	111.4	K345	K345-L347 PolarHBondContact O-N 3.42Å
348	F	65	Low	64.6	Low	94 Å²	94	99.5 Å²	99.5	41%	0.412	51%	0.512	S	S	.	.	S	Bend	trans	-86.5	139	175.3	-53.1	-97.4	0	0	0	109.8	Q207 Y208 S346	Q207-F348 HydrophobicContact CB-CD1 4.49Å; Y208-F348 AromaticContact CE1-CD1 3.72Å; Y208-F348 HydrophobicContact CE1-CD1 3.72Å; Y208-F348 HydrophobicContact CE1-CE1 4.08Å; Y208-F348 HydrophobicContact CE2-CE1 4.4Å; Y208-F348 AromaticContact CZ-CD1 3.74Å; Y208-F348 AromaticContact CZ-CE1 3.62Å; Y208-F348 WeakPolarHBondContact OH-CE1 3.38Å; S346-F348 WeakPolarHBondContact OG-CB 3.29Å; S346-F348 PolarHBondContact OG-N 3.12Å; S346-F348 VanDerWaalsContact OG-N 3.15Å; S346-F348 PolarHBondContact OG-O 2.92Å
349	P	73.4	Confident	67.2	Low	34 Å²	34	89 Å²	89	22%	0.221	47%	0.473	C	S	.	.	P	Polyproline II helix	trans	-57.7	156.7	161.8	28.6	-35.4	0	0	0	110.4	Q207 T210 A235 S351	Q207-P349 WeakPolarHBondContact O-CD 3.4Å; Q207-P349 WeakPolarHBondContact O-CG 3.14Å; T210-P349 HydrophobicContact CG2-CB 4.2Å; T210-P349 HydrophobicContact CG2-CG 4.32Å; A235-P349 HydrophobicContact CB-CB 4.03Å; A235-P349 HydrophobicContact CB-CG 3.47Å; A235-P349 VanDerWaalsContact CB-CG 3.47Å; P349-S351 PolarHBondContact O-N 2.97Å
350	P	75.5	Confident	70	Confident	89 Å²	89	85.6 Å²	85.6	58%	0.578	44%	0.438	S	S	*	.	P	Polyproline II helix	trans	-63.5	122.6	172.3	27.8	-33.2	0	0	0	109.6	R237	R237-P350 PolarHBondContact NH2-O 2.82Å; R237-P350 VanDerWaalsContact NH2-O 3.11Å
351	S	74.2	Confident	72.5	Confident	70 Å²	70	74.7 Å²	74.7	49%	0.49	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-92.9	162.6	171.2	56.9	0	0	0	0	111.3	T234 P349	T234-S351 CarbonylContact O-C 3.36Å; T234-S351 WeakPolarHBondContact O-CA 3.21Å; T234-S351 WeakPolarHBondContact O-CB 3.38Å; P349-S351 PolarHBondContact O-N 2.97Å
352	G	74.5	Confident	75.1	Confident	13 Å²	13	68.8 Å²	68.8	13%	0.134	38%	0.377	C	S	.	.	S	Bend	trans	119.4	172.2	177.8	0	0	0	0	0	113.4	I231 A232 T234 R237 Q354	I231-G352 CarbonylContact O-C 3.21Å; I231-G352 VanDerWaalsContact O-O 3.08Å; A232-G352 CarbonylContact O-C 3.55Å; A232-G352 WeakPolarHBondContact O-CA 3.42Å; T234-G352 PolarHBondContact O-N 3.1Å; R237-G352 VanDerWaalsContact CZ-O 3.23Å; R237-G352 PolarHBondContact NH1-O 3.14Å; R237-G352 PolarHBondContact NH2-O 2.88Å; G352-Q354 VanDerWaalsContact C-N 3.32Å; G352-Q354 PolarHBondContact O-N 2.99Å
353	P	82.9	Confident	77.8	Confident	43 Å²	43	61.4 Å²	61.4	28%	0.279	34%	0.338	S	S	.	.	S	Bend	trans	-69.2	76.4	-173.7	28.6	-36.3	0	0	0	113.5	A232 A261	A232-P353 HydrophobicContact CB-CB 4.11Å; A232-P353 WeakPolarHBondContact O-CD 3.43Å; A261-P353 HydrophobicContact CB-CB 3.65Å; A261-P353 HydrophobicContact CB-CG 3.39Å; A261-P353 WeakPolarHBondContact CB-O 3.33Å
354	Q	87.3	Confident	80.1	Confident	44 Å²	44	57.2 Å²	57.2	21%	0.206	32%	0.321	C	S	.	.			trans	-136.8	146.8	172.6	-46.3	175.7	-73.7	0	0	109.3	R237 G352 D392	R237-Q354 WeakPolarHBondContact CD-O 3.32Å; R237-Q354 PolarHBondContact NH1-O 3.08Å; G352-Q354 VanDerWaalsContact C-N 3.32Å; G352-Q354 PolarHBondContact O-N 2.99Å; Q354-D392 PolarHBondContact NE2-OD2 3.1Å
355	I	92.4	Very high	82.4	Confident	1 Å²	1	51.7 Å²	51.7	1%	0.005	28%	0.282	C	S	.	.			trans	-136	136.4	177.5	-164.6	157.6	0	0	0	110.3	L239 I258 V357 L358 I386 L393	L239-I355 HydrophobicContact CB-CD1 4.03Å; I258-I355 HydrophobicContact CG2-CG2 3.92Å; I355-V357 WeakPolarHBondContact CG1-O 3.16Å; I355-L358 HydrophobicContact CD1-CB 3.74Å; I355-L358 HydrophobicContact CD1-CD1 3.81Å; I355-L358 HydrophobicContact CD1-CG 4.27Å; I355-L358 HydrophobicContact CG1-CB 4.22Å; I355-I386 HydrophobicContact CG2-CG2 4.37Å; I355-L393 HydrophobicContact CG2-CD1 4.13Å; I355-L393 WeakPolarHBondContact O-CA 3.36Å
356	A	94	Very high	84.2	Confident	8 Å²	8	43.6 Å²	43.6	7%	0.066	25%	0.251	C	S	.	.	S	Bend	trans	-101.9	-45.8	178.6	0	0	0	0	0	111.2	R237 D392 Q394 E395	R237-A356 HydrophobicContact CB-CB 4.26Å; R237-A356 WeakPolarHBondContact O-CA 3.29Å; R237-A356 WeakPolarHBondContact O-CB 3.42Å; R237-A356 PolarHBondContact O-N 3.43Å; A356-D392 WeakPolarHBondContact CA-O 3.12Å; A356-D392 WeakPolarHBondContact CB-O 3.44Å; A356-Q394 WeakPolarHBondContact O-CA 3.43Å; A356-Q394 WeakPolarHBondContact O-CB 3.27Å; A356-Q394 PolarHBondContact O-N 2.95Å; A356-E395 PolarHBondContact O-N 2.81Å; A356-E395 VanDerWaalsContact O-N 3.09Å
357	V	95.7	Very high	85.9	Confident	14 Å²	14	41.7 Å²	41.7	9%	0.085	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	123.2	173.5	179.6	0	0	0	0	108.7	R237 E238 L239 I240 I355 K359 E395	R237-V357 PolarHBondContact O-N 3.22Å; E238-V357 WeakPolarHBondContact CA-O 3.43Å; E238-V357 HydrophobicContact CB-CB 4.02Å; E238-V357 HydrophobicContact CG-CB 3.82Å; E238-V357 HydrophobicContact CG-CG2 3.84Å; L239-V357 PolarHBondContact N-O 3.02Å; I240-V357 HydrophobicContact CD1-CG1 3.92Å; I355-V357 WeakPolarHBondContact CG1-O 3.16Å; V357-K359 HydrophobicContact CG1-CG 4.08Å; V357-E395 WeakPolarHBondContact CA-O 3.31Å; V357-E395 HydrophobicContact CG1-CB 4.35Å; V357-E395 HydrophobicContact CG2-CB 4.3Å
358	L	96.5	Very high	86.7	Confident	4 Å²	4	42.6 Å²	42.6	2%	0.021	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	123.4	171.6	175.3	62.1	0	0	0	108.2	L239 L255 I355 L360 E395 V396 D397	L239-L358 WeakPolarHBondContact O-CA 3.23Å; L255-L358 HydrophobicContact CD2-CD2 3.7Å; I355-L358 HydrophobicContact CD1-CB 3.74Å; I355-L358 HydrophobicContact CD1-CD1 3.81Å; I355-L358 HydrophobicContact CD1-CG 4.27Å; I355-L358 HydrophobicContact CG1-CB 4.22Å; L358-L360 HydrophobicContact CD1-CD1 3.92Å; L358-L360 HydrophobicContact CD1-CG 3.92Å; L358-L360 HydrophobicContact CD2-CD1 3.83Å; L358-L360 HydrophobicContact CG-CD1 3.92Å; L358-L360 HydrophobicContact CG-CG 4.16Å; L358-E395 PolarHBondContact N-O 3.07Å; L358-V396 VanDerWaalsContact O-CA 3.31Å; L358-V396 WeakPolarHBondContact O-CA 3.39Å; L358-D397 PolarHBondContact O-N 2.69Å
359	K	96.6	Very high	86.8	Confident	25 Å²	25	39.9 Å²	39.9	11%	0.109	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	122.4	171.5	-58.4	-164.9	168	-79.3	0	111.2	L239 I240 L241 D242 V357 E395 D397	L239-K359 PolarHBondContact O-N 2.77Å; I240-K359 HydrophobicContact CD1-CB 4.24Å; I240-K359 HydrophobicContact CD1-CD 3.99Å; I240-K359 HydrophobicContact CD1-CG 3.88Å; I240-K359 HydrophobicContact CG2-CB 3.98Å; I240-K359 HydrophobicContact CG2-CD 4.24Å; L241-K359 PolarHBondContact N-O 2.63Å; D242-K359 WeakPolarHBondContact OD1-CB 3.16Å; V357-K359 HydrophobicContact CG1-CG 4.08Å; K359-E395 WeakPolarHBondContact CE-OE1 3.34Å; K359-E395 IonicContact NZ-OE1 3.66Å; K359-E395 PolarHBondContact NZ-OE1 3.46Å; K359-D397 HydrophobicContact CB-CB 4.1Å; K359-D397 HydrophobicContact CD-CB 4.22Å; K359-D397 HydrophobicContact CG-CB 3.84Å; K359-D397 IonicContact NZ-OD2 3.82Å; K359-D397 PolarHBondContact NZ-OD2 3.43Å
360	L	96.4	Very high	86.4	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.262	C	S	.	.			trans	-134.4	36.5	-178.1	-69.3	164.5	0	0	0	107.9	L241 L246 T251 L254 L358 N363 D397 L398 N401	L241-L360 HydrophobicContact CB-CD2 4.16Å; L241-L360 HydrophobicContact CD1-CD2 3.93Å; L246-L360 HydrophobicContact CD1-CD2 3.93Å; T251-L360 HydrophobicContact CG2-CD1 3.69Å; L254-L360 HydrophobicContact CD2-CD2 3.95Å; L358-L360 HydrophobicContact CD1-CD1 3.92Å; L358-L360 HydrophobicContact CD1-CG 3.92Å; L358-L360 HydrophobicContact CD2-CD1 3.83Å; L358-L360 HydrophobicContact CG-CD1 3.92Å; L358-L360 HydrophobicContact CG-CG 4.16Å; L360-N363 HydrophobicContact CB-CB 4.37Å; L360-D397 CarbonylContact C-O 3.27Å; L360-D397 PolarHBondContact N-O 3.07Å; L360-L398 HydrophobicContact CB-CD2 4.02Å; L360-L398 HydrophobicContact CD1-CD2 4.3Å; L360-N401 PolarHBondContact O-ND2 2.87Å
361	A	94.9	Very high	85.7	Confident	9 Å²	9	47.7 Å²	47.7	7%	0.074	25%	0.251	C	S	.	.	S	Bend	trans	-69	140.9	175.7	0	0	0	0	0	109	D242 G243 N363 D397 F399	D242-A361 CarbonylContact C-O 3.57Å; D242-A361 VanDerWaalsContact CA-O 3.23Å; D242-A361 WeakPolarHBondContact CA-O 3Å; D242-A361 HydrophobicContact CB-CB 4.4Å; D242-A361 WeakPolarHBondContact OD1-CB 3.14Å; D242-A361 PolarHBondContact OD1-N 3.14Å; D242-A361 VanDerWaalsContact OD1-N 3.14Å; G243-A361 PolarHBondContact N-O 2.99Å; A361-N363 PolarHBondContact O-ND2 3.38Å; A361-D397 PolarHBondContact N-O 3.41Å; A361-F399 CarbonylContact C-O 3.6Å; A361-F399 WeakPolarHBondContact CA-O 3.45Å; A361-F399 HydrophobicContact CB-CB 4.11Å; A361-F399 WeakPolarHBondContact CB-O 3.2Å
362	D	94.4	Very high	85.4	Confident	81 Å²	81	45.7 Å²	45.7	43%	0.433	24%	0.241	S	C	.	.	S	Bend	trans	53.8	60.5	178.6	-151.6	14	0	0	0	111.2	G243 N244 F399 A400	G243-D362 CarbonylContact C-O 3.38Å; G243-D362 WeakPolarHBondContact CA-O 3.41Å; G243-D362 PolarHBondContact N-O 2.77Å; G243-D362 VanDerWaalsContact N-O 3.14Å; N244-D362 PolarHBondContact N-O 3.25Å; N244-D362 VanDerWaalsContact N-O 3.1Å; D362-F399 PolarHBondContact N-O 3.45Å; D362-A400 HydrophobicContact CB-CB 3.93Å
363	N	94.2	Very high	85.8	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.25	C	C	.	.	S	Bend	trans	-117.3	18.9	-174.8	-95.2	-116.5	0	0	0	113.8	L241 N244 L246 E247 L360 A361 I365 N401	L241-N363 PolarHBondContact O-ND2 3.4Å; L241-N363 PolarHBondContact O-OD1 2.92Å; N244-N363 CarbonylContact O-C 3.36Å; N244-N363 WeakPolarHBondContact O-CA 3.37Å; L246-N363 VanDerWaalsContact CD1-OD1 3.32Å; L246-N363 WeakPolarHBondContact CD1-OD1 3.45Å; L246-N363 WeakPolarHBondContact CG-OD1 3.37Å; E247-N363 PolarHBondContact N-O 3.05Å; E247-N363 VanDerWaalsContact N-O 3.14Å; L360-N363 HydrophobicContact CB-CB 4.37Å; A361-N363 PolarHBondContact O-ND2 3.38Å; N363-I365 HydrophobicContact CB-CD1 4.13Å; N363-I365 HydrophobicContact CB-CG1 4.05Å; N363-I365 PolarHBondContact O-N 3.1Å; N363-I365 VanDerWaalsContact O-N 3.12Å; N363-N401 PolarHBondContact N-OD1 2.93Å
364	E	92.1	Very high	86.2	Confident	112 Å²	112	53 Å²	53	52%	0.523	27%	0.268	S	S	.	.			trans	55.8	23.8	-176.4	-61.8	-176.2	-123.6	0	0	114.4	S245 S366	S245-E364 WeakPolarHBondContact CB-OE1 3.27Å; S245-E364 PolarHBondContact OG-OE1 2.95Å; E364-S366 VanDerWaalsContact C-N 3.3Å; E364-S366 PolarHBondContact O-N 3.33Å
365	I	91.9	Very high	86.3	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.266	C	S	.	.			trans	-77	82	177.8	-48.3	172.7	0	0	0	109.2	A248 T251 N363 T376 M380 L398 N401 D402 I403	A248-I365 HydrophobicContact CB-CG2 4.41Å; T251-I365 HydrophobicContact CG2-CD1 3.98Å; N363-I365 HydrophobicContact CB-CD1 4.13Å; N363-I365 HydrophobicContact CB-CG1 4.05Å; N363-I365 PolarHBondContact O-N 3.1Å; N363-I365 VanDerWaalsContact O-N 3.12Å; I365-T376 HydrophobicContact CG2-CG2 4.3Å; I365-M380 HydrophobicContact CG2-CE 3.79Å; I365-L398 HydrophobicContact CD1-CD2 4.28Å; I365-N401 HydrophobicContact CB-CB 4.06Å; I365-N401 WeakPolarHBondContact CB-OD1 3.41Å; I365-N401 PolarHBondContact N-OD1 3.3Å; I365-N401 VanDerWaalsContact N-OD1 3.16Å; I365-D402 CarbonylContact O-C 3.53Å; I365-D402 PolarHBondContact O-N 3.01Å; I365-I403 HydrophobicContact CG2-CG2 4.45Å
366	S	87.7	Confident	86.3	Confident	33 Å²	33	52.3 Å²	52.3	23%	0.231	27%	0.266	C	S	.	.			trans	-110.2	139.7	-173.4	-177.8	0	0	0	0	112.7	E364 Y368 T376 D402	E364-S366 VanDerWaalsContact C-N 3.3Å; E364-S366 PolarHBondContact O-N 3.33Å; S366-Y368 PolarHBondContact O-N 3.37Å; S366-Y368 PolarHBondContact OG-N 2.85Å; S366-Y368 VanDerWaalsContact OG-N 3.11Å; S366-T376 VanDerWaalsContact C-OG1 3.3Å; S366-T376 PolarHBondContact O-OG1 3.18Å; S366-D402 WeakPolarHBondContact CA-O 3.33Å
367	H	82	Confident	86.3	Confident	46 Å²	46	53.2 Å²	53.2	21%	0.213	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-6.8	169.3	73	-74.1	0	0	0	113.8	N373 T376 D402	H367-N373 HydrophobicContact CB-CB 4.5Å; H367-T376 HydrophobicContact CB-CG2 4.19Å; H367-D402 PolarHBondContact N-O 2.94Å; H367-D402 PolarHBondContact ND1-O 3.26Å
368	Y	79.1	Confident	86.2	Confident	174 Å²	174	57.7 Å²	57.7	68%	0.682	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	1.3	175.7	-55.7	-67.3	0	0	0	114	S366	S366-Y368 PolarHBondContact O-N 3.37Å; S366-Y368 PolarHBondContact OG-N 2.85Å; S366-Y368 VanDerWaalsContact OG-N 3.11Å
369	G	68	Low	86.1	Confident	37 Å²	37	57.5 Å²	57.5	38%	0.381	29%	0.285	S	S	.	.	S	Bend	trans	-65	169.7	-178.3	0	0	0	0	0	113.8	E371 G372	G369-E371 PolarHBondContact O-N 3.49Å; G369-E371 VanDerWaalsContact O-N 3.14Å; G369-G372 WeakPolarHBondContact O-CA 3.34Å; G369-G372 PolarHBondContact O-N 3.02Å
370	Q	64.1	Low	86.1	Confident	213 Å²	213	56.3 Å²	56.3	100%	0.995	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-29.4	-178.7	-63.1	-175	6.8	0	0	113.3	G372	Q370-G372 VanDerWaalsContact C-N 3.25Å; Q370-G372 PolarHBondContact O-N 3Å
371	E	61.8	Low	86.1	Confident	75 Å²	75	59.7 Å²	59.7	35%	0.35	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-5.1	176.9	-46.6	-173.8	123.3	0	0	113.3	G369 N375	G369-E371 PolarHBondContact O-N 3.49Å; G369-E371 VanDerWaalsContact O-N 3.14Å; E371-N375 HydrophobicContact CB-CB 4.43Å; E371-N375 PolarHBondContact OE1-ND2 3Å; E371-N375 VanDerWaalsContact OE1-ND2 3.15Å; E371-N375 PolarHBondContact OE2-ND2 2.66Å
372	G	67.1	Low	86.1	Confident	27 Å²	27	59.8 Å²	59.8	28%	0.278	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.8	-162.8	-176.6	0	0	0	0	0	114.5	G369 Q370 F374	G369-G372 WeakPolarHBondContact O-CA 3.34Å; G369-G372 PolarHBondContact O-N 3.02Å; Q370-G372 VanDerWaalsContact C-N 3.25Å; Q370-G372 PolarHBondContact O-N 3Å; G372-F374 PolarHBondContact O-N 2.87Å
373	N	83.6	Confident	86.2	Confident	59 Å²	59	56 Å²	56	32%	0.316	28%	0.275	S	S	.	.	H	α-helix	trans	-68.1	-17.3	-173.6	-160.9	8.9	0	0	0	113.8	H367 V377	H367-N373 HydrophobicContact CB-CB 4.5Å; N373-V377 WeakPolarHBondContact O-CB 3.44Å; N373-V377 WeakPolarHBondContact O-CG2 3.24Å; N373-V377 PolarHBondContact O-N 2.78Å; N373-V377 WeakPolarHBondContact OD1-CG2 3.33Å
374	F	89.6	Confident	86.3	Confident	151 Å²	151	58.3 Å²	58.3	66%	0.662	29%	0.285	S	S	*	.	H	α-helix	trans	-64.4	-52.8	-171.8	180	-100.3	0	0	0	112.7	G372 T376 V377 R378	G372-F374 PolarHBondContact O-N 2.87Å; F374-T376 PolarHBondContact O-N 3.47Å; F374-V377 PolarHBondContact O-N 2.86Å; F374-R378 WeakPolarHBondContact O-CB 3.45Å; F374-R378 PolarHBondContact O-N 3.21Å
375	N	90.5	Very high	86.5	Confident	29 Å²	29	53.6 Å²	53.6	16%	0.155	26%	0.264	C	S	.	.	H	α-helix	trans	-67.6	-36.3	-179.3	-79.9	-2.9	0	0	0	111.7	A248 I252 E371 R378 C379	A248-N375 HydrophobicContact CB-CB 3.74Å; I252-N375 HydrophobicContact CD1-CB 3.92Å; E371-N375 HydrophobicContact CB-CB 4.43Å; E371-N375 PolarHBondContact OE1-ND2 3Å; E371-N375 VanDerWaalsContact OE1-ND2 3.15Å; E371-N375 PolarHBondContact OE2-ND2 2.66Å; N375-R378 PolarHBondContact O-N 2.84Å; N375-C379 VanDerWaalsContact O-CB 3.32Å; N375-C379 WeakPolarHBondContact O-CB 3.31Å; N375-C379 PolarHBondContact O-N 2.82Å
376	T	92.6	Very high	86.7	Confident	1 Å²	1	53.9 Å²	53.9	1%	0.006	27%	0.265	C	S	.	.	H	α-helix	trans	-65.4	-42.1	175.5	-71.5	0	0	0	0	112.3	I365 S366 H367 F374 M380 I403 A407	I365-T376 HydrophobicContact CG2-CG2 4.3Å; S366-T376 VanDerWaalsContact C-OG1 3.3Å; S366-T376 PolarHBondContact O-OG1 3.18Å; H367-T376 HydrophobicContact CB-CG2 4.19Å; F374-T376 PolarHBondContact O-N 3.47Å; T376-M380 WeakPolarHBondContact O-CG 3.34Å; T376-M380 PolarHBondContact O-N 3.48Å; T376-M380 VanDerWaalsContact O-N 3.12Å; T376-I403 HydrophobicContact CG2-CB 4.23Å; T376-I403 WeakPolarHBondContact CG2-O 3.46Å; T376-A407 HydrophobicContact CG2-CB 4.16Å
377	V	93.7	Very high	87.1	Confident	27 Å²	27	52.3 Å²	52.3	16%	0.164	25%	0.254	C	S	.	.	H	α-helix	trans	-64.8	-41.6	171.1	169.9	0	0	0	0	111.5	N373 F374 C379 M380 Q381 L406 A407	N373-V377 WeakPolarHBondContact O-CB 3.44Å; N373-V377 WeakPolarHBondContact O-CG2 3.24Å; N373-V377 PolarHBondContact O-N 2.78Å; N373-V377 WeakPolarHBondContact OD1-CG2 3.33Å; F374-V377 PolarHBondContact O-N 2.86Å; V377-C379 PolarHBondContact O-N 3.45Å; V377-M380 PolarHBondContact O-N 3.18Å; V377-Q381 WeakPolarHBondContact O-CG 3.21Å; V377-Q381 PolarHBondContact O-N 3.23Å; V377-L406 HydrophobicContact CG2-CB 4.03Å; V377-A407 HydrophobicContact CG2-CB 4.07Å
378	R	93.9	Very high	87.7	Confident	108 Å²	108	50.4 Å²	50.4	41%	0.408	25%	0.247	S	C	.	.	H	α-helix	trans	-64.8	-39	178.9	-177.2	57.8	-178.3	162.9	4.9	112.2	I252 F374 N375 Q381 L382	I252-R378 HydrophobicContact CD1-CB 4.06Å; I252-R378 HydrophobicContact CD1-CG 4.02Å; I252-R378 HydrophobicContact CG1-CG 4.43Å; F374-R378 WeakPolarHBondContact O-CB 3.45Å; F374-R378 PolarHBondContact O-N 3.21Å; N375-R378 PolarHBondContact O-N 2.84Å; R378-Q381 VanDerWaalsContact CD-OE1 3.28Å; R378-Q381 WeakPolarHBondContact O-CB 3.26Å; R378-Q381 PolarHBondContact O-N 3.15Å; R378-L382 PolarHBondContact O-N 3.33Å
379	C	94.4	Very high	88.4	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-58	-49.8	170.7	-178.7	0	0	0	0	110.9	T251 I252 N375 V377 Q381 L382 I383	T251-C379 WeakPolarHBondContact CG2-SG 3.45Å; I252-C379 HydrophobicContact CG1-CB 4.02Å; N375-C379 VanDerWaalsContact O-CB 3.32Å; N375-C379 WeakPolarHBondContact O-CB 3.31Å; N375-C379 PolarHBondContact O-N 2.82Å; V377-C379 PolarHBondContact O-N 3.45Å; C379-Q381 VanDerWaalsContact C-N 3.28Å; C379-Q381 PolarHBondContact O-N 3.3Å; C379-L382 PolarHBondContact O-N 2.76Å; C379-L382 VanDerWaalsContact O-N 3.14Å; C379-I383 PolarHBondContact O-N 3.23Å; C379-I383 VanDerWaalsContact O-N 3.07Å
380	M	95.8	Very high	89.6	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-68.6	-22.7	178.4	-60.8	-53.4	132.5	0	0	113.6	I365 T376 V377 I383 K384 L398 I403 A407 Q410 I411	I365-M380 HydrophobicContact CG2-CE 3.79Å; T376-M380 WeakPolarHBondContact O-CG 3.34Å; T376-M380 PolarHBondContact O-N 3.48Å; T376-M380 VanDerWaalsContact O-N 3.12Å; V377-M380 PolarHBondContact O-N 3.18Å; M380-I383 HydrophobicContact CE-CD1 4.1Å; M380-I383 HydrophobicContact SD-CD1 3.91Å; M380-K384 WeakPolarHBondContact O-CB 3.26Å; M380-K384 PolarHBondContact O-N 2.99Å; M380-L398 HydrophobicContact CE-CD1 4.42Å; M380-L398 HydrophobicContact CE-CD2 4.38Å; M380-L398 HydrophobicContact SD-CD1 3.89Å; M380-I403 HydrophobicContact CE-CB 4.41Å; M380-I403 HydrophobicContact CE-CG2 3.72Å; M380-I403 HydrophobicContact SD-CD1 4.3Å; M380-I403 HydrophobicContact SD-CG2 4.41Å; M380-A407 HydrophobicContact CB-CB 3.94Å; M380-A407 WeakPolarHBondContact CB-O 3.41Å; M380-A407 HydrophobicContact CG-CB 3.48Å; M380-A407 VanDerWaalsContact CG-CB 3.48Å; M380-Q410 HydrophobicContact CB-CB 4.2Å; M380-I411 HydrophobicContact CB-CD1 4.16Å; M380-I411 HydrophobicContact CB-CG1 4.29Å; M380-I411 HydrophobicContact CG-CD1 4.43Å; M380-I411 HydrophobicContact CG-CG1 4.35Å; M380-I411 HydrophobicContact SD-CD1 3.79Å; M380-I411 HydrophobicContact SD-CG1 3.95Å
381	Q	96.1	Very high	90.8	Very high	72 Å²	72	37.6 Å²	37.6	34%	0.336	18%	0.182	S	C	.	.	H	α-helix	trans	-65.6	-41.8	168.5	-72.6	174	0	0	0	112.1	V377 R378 C379 K384 S385 Q410	V377-Q381 WeakPolarHBondContact O-CG 3.21Å; V377-Q381 PolarHBondContact O-N 3.23Å; R378-Q381 VanDerWaalsContact CD-OE1 3.28Å; R378-Q381 WeakPolarHBondContact O-CB 3.26Å; R378-Q381 PolarHBondContact O-N 3.15Å; C379-Q381 VanDerWaalsContact C-N 3.28Å; C379-Q381 PolarHBondContact O-N 3.3Å; Q381-K384 WeakPolarHBondContact O-CB 3.44Å; Q381-K384 PolarHBondContact O-N 2.78Å; Q381-S385 PolarHBondContact O-N 3.15Å; Q381-Q410 HydrophobicContact CG-CG 4.22Å
382	L	96.5	Very high	92.2	Very high	10 Å²	10	37.5 Å²	37.5	5%	0.052	18%	0.184	C	C	.	.	H	α-helix	trans	-65.5	-43.8	175.3	-60.6	173.2	0	0	0	110.6	I252 L255 R378 C379 K384 S385 I386	I252-L382 HydrophobicContact CB-CD1 4.33Å; I252-L382 HydrophobicContact CG1-CD1 4.29Å; I252-L382 HydrophobicContact CG2-CD1 4.1Å; L255-L382 HydrophobicContact CB-CB 4.12Å; L255-L382 HydrophobicContact CB-CD1 4.14Å; L255-L382 HydrophobicContact CD1-CB 4.48Å; R378-L382 PolarHBondContact O-N 3.33Å; C379-L382 PolarHBondContact O-N 2.76Å; C379-L382 VanDerWaalsContact O-N 3.14Å; L382-K384 PolarHBondContact O-N 2.87Å; L382-S385 WeakPolarHBondContact O-CB 3.43Å; L382-S385 PolarHBondContact O-N 3.22Å; L382-I386 VanDerWaalsContact O-CG1 3.3Å; L382-I386 WeakPolarHBondContact O-CG1 3.17Å; L382-I386 PolarHBondContact O-N 3.16Å
383	I	96.2	Very high	93.5	Very high	3 Å²	3	36.3 Å²	36.3	2%	0.015	17%	0.171	C	C	.	.	H	α-helix	trans	-63.6	-42.4	175.7	-59.8	-179.4	0	0	0	111.3	L255 C379 M380 S385 I386 I387 V396 L398 I411	L255-I383 HydrophobicContact CD1-CD1 3.83Å; L255-I383 HydrophobicContact CD1-CG1 3.31Å; C379-I383 PolarHBondContact O-N 3.23Å; C379-I383 VanDerWaalsContact O-N 3.07Å; M380-I383 HydrophobicContact CE-CD1 4.1Å; M380-I383 HydrophobicContact SD-CD1 3.91Å; I383-S385 VanDerWaalsContact C-N 3.28Å; I383-S385 PolarHBondContact O-N 3.26Å; I383-I386 PolarHBondContact O-N 3.46Å; I383-I387 HydrophobicContact CG2-CD1 3.74Å; I383-I387 HydrophobicContact CG2-CG1 4.23Å; I383-I387 WeakPolarHBondContact O-CB 3.42Å; I383-I387 VanDerWaalsContact O-CG1 3.27Å; I383-I387 WeakPolarHBondContact O-CG1 3.42Å; I383-I387 PolarHBondContact O-N 2.73Å; I383-V396 HydrophobicContact CG2-CG1 4.28Å; I383-L398 HydrophobicContact CD1-CD1 3.85Å; I383-L398 HydrophobicContact CD1-CD2 3.85Å; I383-L398 HydrophobicContact CD1-CG 4.41Å; I383-L398 HydrophobicContact CG2-CD1 4.48Å; I383-I411 HydrophobicContact CB-CD1 3.76Å; I383-I411 HydrophobicContact CG2-CD1 3.48Å; I383-I411 VanDerWaalsContact CG2-CD1 3.48Å
384	K	96.5	Very high	94	Very high	48 Å²	48	38.2 Å²	38.2	21%	0.209	18%	0.178	C	C	.	.	H	α-helix	trans	-53.7	-44.4	171.7	164.7	-179.5	173.5	174.1	0	111.6	M380 Q381 L382 S388 Q410 E413	M380-K384 WeakPolarHBondContact O-CB 3.26Å; M380-K384 PolarHBondContact O-N 2.99Å; Q381-K384 WeakPolarHBondContact O-CB 3.44Å; Q381-K384 PolarHBondContact O-N 2.78Å; L382-K384 PolarHBondContact O-N 2.87Å; K384-S388 WeakPolarHBondContact O-CB 3.32Å; K384-S388 PolarHBondContact O-N 2.79Å; K384-S388 PolarHBondContact O-OG 3.49Å; K384-Q410 HydrophobicContact CB-CB 4.28Å; K384-Q410 WeakPolarHBondContact CB-O 3.34Å; K384-Q410 HydrophobicContact CD-CB 3.94Å; K384-Q410 HydrophobicContact CD-CG 4.49Å; K384-Q410 WeakPolarHBondContact CD-O 3.48Å; K384-Q410 WeakPolarHBondContact CG-O 3.45Å; K384-E413 HydrophobicContact CD-CB 4.38Å; K384-E413 IonicContact NZ-OE2 3.47Å; K384-E413 PolarHBondContact NZ-OE2 2.78Å
385	S	95.7	Very high	94.3	Very high	13 Å²	13	33.1 Å²	33.1	9%	0.091	16%	0.156	C	C	.	.	H	α-helix	trans	-66	-48.7	179.3	-164.8	0	0	0	0	111.9	S259 E263 Q381 L382 I383 I387 S388 H389	S259-S385 VanDerWaalsContact OG-CB 3.27Å; S259-S385 WeakPolarHBondContact OG-CB 3.47Å; S259-S385 PolarHBondContact OG-OG 3.13Å; E263-S385 WeakPolarHBondContact CG-OG 3.43Å; E263-S385 WeakPolarHBondContact OE1-CB 3.34Å; E263-S385 PolarHBondContact OE1-OG 2.74Å; Q381-S385 PolarHBondContact O-N 3.15Å; L382-S385 WeakPolarHBondContact O-CB 3.43Å; L382-S385 PolarHBondContact O-N 3.22Å; I383-S385 VanDerWaalsContact C-N 3.28Å; I383-S385 PolarHBondContact O-N 3.26Å; S385-I387 VanDerWaalsContact C-N 3.34Å; S385-I387 PolarHBondContact O-N 3.25Å; S385-S388 PolarHBondContact O-N 2.85Å; S385-S388 VanDerWaalsContact O-N 3.1Å; S385-H389 PolarHBondContact O-CD2 3.47Å; S385-H389 VanDerWaalsContact O-CD2 3.25Å; S385-H389 PolarHBondContact O-N 3.12Å
386	I	95.8	Very high	94.5	Very high	5 Å²	5	31.9 Å²	31.9	3%	0.026	15%	0.15	C	C	.	.	H	α-helix	trans	-58.7	-43.8	175.6	-63.5	164.5	0	0	0	111	L255 I258 A262 I355 L382 I383 H389 S390 L393	L255-I386 HydrophobicContact CB-CD1 4.21Å; L255-I386 HydrophobicContact CD2-CD1 3.96Å; I258-I386 HydrophobicContact CB-CD1 3.88Å; I258-I386 HydrophobicContact CB-CG1 4.43Å; I258-I386 HydrophobicContact CG2-CD1 3.84Å; I258-I386 HydrophobicContact CG2-CG1 4.1Å; I258-I386 HydrophobicContact CG2-CG2 4.35Å; A262-I386 HydrophobicContact CB-CG1 4.36Å; I355-I386 HydrophobicContact CG2-CG2 4.37Å; L382-I386 VanDerWaalsContact O-CG1 3.3Å; L382-I386 WeakPolarHBondContact O-CG1 3.17Å; L382-I386 PolarHBondContact O-N 3.16Å; I383-I386 PolarHBondContact O-N 3.46Å; I386-H389 PolarHBondContact O-N 3.43Å; I386-S390 WeakPolarHBondContact O-CB 3.32Å; I386-S390 PolarHBondContact O-N 2.83Å; I386-L393 HydrophobicContact CG2-CD1 4.46Å; I386-L393 HydrophobicContact CG2-CD2 4.33Å
387	I	96	Very high	94.7	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-62.1	-44.2	174.5	-72.3	172.1	0	0	0	111.4	I383 S385 H389 L393 I411 I415 R418 I426 V428	I383-I387 HydrophobicContact CG2-CD1 3.74Å; I383-I387 HydrophobicContact CG2-CG1 4.23Å; I383-I387 WeakPolarHBondContact O-CB 3.42Å; I383-I387 VanDerWaalsContact O-CG1 3.27Å; I383-I387 WeakPolarHBondContact O-CG1 3.42Å; I383-I387 PolarHBondContact O-N 2.73Å; S385-I387 VanDerWaalsContact C-N 3.34Å; S385-I387 PolarHBondContact O-N 3.25Å; I387-H389 VanDerWaalsContact C-N 3.34Å; I387-H389 PolarHBondContact O-N 2.99Å; I387-L393 HydrophobicContact CB-CD2 4.38Å; I387-L393 HydrophobicContact CG1-CD2 3.8Å; I387-I411 HydrophobicContact CD1-CD1 4.35Å; I387-I411 HydrophobicContact CD1-CG2 4.28Å; I387-I415 HydrophobicContact CG2-CG1 4.02Å; I387-R418 HydrophobicContact CG2-CB 4.24Å; I387-R418 WeakPolarHBondContact O-CB 3.4Å; I387-R418 VanDerWaalsContact O-CD 3.24Å; I387-R418 WeakPolarHBondContact O-CD 3.37Å; I387-R418 WeakPolarHBondContact O-CG 3.47Å; I387-R418 PolarHBondContact O-NH1 3.14Å; I387-I426 HydrophobicContact CB-CD1 4.47Å; I387-I426 HydrophobicContact CD1-CD1 4.47Å; I387-I426 HydrophobicContact CG1-CD1 4.02Å; I387-I426 HydrophobicContact CG2-CD1 3.86Å; I387-V428 HydrophobicContact CD1-CG2 4.01Å
388	S	95	Very high	94.8	Very high	7 Å²	7	31 Å²	31	5%	0.049	14%	0.144	C	C	.	.	H	α-helix	trans	-66.5	-35.3	-178.3	-59.9	0	0	0	0	112.5	K384 S385 G414 L423	K384-S388 WeakPolarHBondContact O-CB 3.32Å; K384-S388 PolarHBondContact O-N 2.79Å; K384-S388 PolarHBondContact O-OG 3.49Å; S385-S388 PolarHBondContact O-N 2.85Å; S385-S388 VanDerWaalsContact O-N 3.1Å; S388-G414 WeakPolarHBondContact OG-CA 3.34Å; S388-L423 WeakPolarHBondContact O-CD1 3.35Å
389	H	93.4	Very high	94.7	Very high	65 Å²	65	29.8 Å²	29.8	30%	0.301	14%	0.142	S	C	.	.	H	α-helix	trans	-118.7	-25.1	-163.6	-55.4	-62.7	0	0	0	116.8	A262 R269 S385 I386 I387 K391	A262-H389 VanDerWaalsContact C-CB 3.49Å; A262-H389 HydrophobicContact CB-CB 4.12Å; A262-H389 WeakPolarHBondContact O-CB 3.3Å; R269-H389 PolarHBondContact NH2-O 3.34Å; S385-H389 PolarHBondContact O-CD2 3.47Å; S385-H389 VanDerWaalsContact O-CD2 3.25Å; S385-H389 PolarHBondContact O-N 3.12Å; I386-H389 PolarHBondContact O-N 3.43Å; I387-H389 VanDerWaalsContact C-N 3.34Å; I387-H389 PolarHBondContact O-N 2.99Å; H389-K391 PolarHBondContact O-N 2.91Å
390	S	92.8	Very high	94.6	Very high	5 Å²	5	31.9 Å²	31.9	4%	0.035	16%	0.159	C	C	.	.			trans	-70.1	125.4	178.4	174.1	0	0	0	0	112.2	E265 I386 D392 L393 R418	E265-S390 WeakPolarHBondContact OE2-CA 3.46Å; I386-S390 WeakPolarHBondContact O-CB 3.32Å; I386-S390 PolarHBondContact O-N 2.83Å; S390-D392 PolarHBondContact OG-N 3.43Å; S390-L393 PolarHBondContact OG-N 3.45Å; S390-R418 PolarHBondContact O-NH1 3.21Å; S390-R418 PolarHBondContact O-NH2 2.98Å
391	K	90.5	Very high	94.5	Very high	85 Å²	85	32 Å²	32	37%	0.37	16%	0.16	S	C	.	.	S	Bend	trans	-69.2	-42.3	171.9	-65.9	-176.7	-150.7	105.5	0	112.2	E265 R269 H389 L423	E265-K391 HydrophobicContact CG-CG 4.32Å; E265-K391 VanDerWaalsContact CG-NZ 3.3Å; E265-K391 VanDerWaalsContact OE1-CD 3.29Å; E265-K391 WeakPolarHBondContact OE1-CD 3.42Å; E265-K391 VanDerWaalsContact OE1-CE 3.31Å; E265-K391 WeakPolarHBondContact OE1-CE 3.43Å; E265-K391 VanDerWaalsContact OE1-CG 3.26Å; E265-K391 WeakPolarHBondContact OE1-CG 3.16Å; E265-K391 IonicContact OE1-NZ 3.84Å; E265-K391 PolarHBondContact OE1-NZ 3.44Å; E265-K391 PolarHBondContact OE2-N 3.11Å; R269-K391 VanDerWaalsContact CD-CE 3.43Å; R269-K391 VanDerWaalsContact CG-CE 3.49Å; H389-K391 PolarHBondContact O-N 2.91Å; K391-L423 HydrophobicContact CG-CD2 4.15Å
392	D	90.8	Very high	94.3	Very high	73 Å²	73	30.1 Å²	30.1	39%	0.39	15%	0.152	S	C	.	.	S	Bend	trans	-86.2	-10.3	-165.3	-65.6	-38.5	0	0	0	114.1	Q354 A356 S390	Q354-D392 PolarHBondContact NE2-OD2 3.1Å; A356-D392 WeakPolarHBondContact CA-O 3.12Å; A356-D392 WeakPolarHBondContact CB-O 3.44Å; S390-D392 PolarHBondContact OG-N 3.43Å
393	L	93.9	Very high	94.1	Very high	2 Å²	2	29.8 Å²	29.8	1%	0.01	15%	0.15	C	C	.	.			trans	-58.9	133.7	175.2	-168.8	72.5	0	0	0	112	I355 I386 I387 S390 V396 R418 I426	I355-L393 HydrophobicContact CG2-CD1 4.13Å; I355-L393 WeakPolarHBondContact O-CA 3.36Å; I386-L393 HydrophobicContact CG2-CD1 4.46Å; I386-L393 HydrophobicContact CG2-CD2 4.33Å; I387-L393 HydrophobicContact CB-CD2 4.38Å; I387-L393 HydrophobicContact CG1-CD2 3.8Å; S390-L393 PolarHBondContact OG-N 3.45Å; L393-V396 HydrophobicContact CD1-CG2 3.88Å; L393-V396 HydrophobicContact CD2-CG2 3.98Å; L393-V396 HydrophobicContact CG-CG2 4.27Å; L393-R418 PolarHBondContact O-NH2 3.15Å; L393-I426 HydrophobicContact CD2-CD1 4.03Å; L393-I426 HydrophobicContact CG-CG2 4.45Å; L393-I426 WeakPolarHBondContact O-CG2 3.27Å
394	Q	93.9	Very high	93.9	Very high	99 Å²	99	29.9 Å²	29.9	46%	0.463	15%	0.152	S	C	.	.			trans	-128.5	-39.9	-177.7	-69.6	174.8	67.4	0	0	113.3	A356 I426 G427	A356-Q394 WeakPolarHBondContact O-CA 3.43Å; A356-Q394 WeakPolarHBondContact O-CB 3.27Å; A356-Q394 PolarHBondContact O-N 2.95Å; Q394-I426 CarbonylContact O-C 3.5Å; Q394-I426 VanDerWaalsContact O-CA 3.26Å; Q394-I426 WeakPolarHBondContact O-CA 3.29Å; Q394-I426 WeakPolarHBondContact O-CB 3.47Å; Q394-G427 PolarHBondContact O-N 3.04Å
395	E	95.3	Very high	93.7	Very high	43 Å²	43	31.8 Å²	31.8	20%	0.201	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	131.1	-176.2	-165.9	169.1	134.7	0	0	111.9	A356 V357 L358 K359 G427	A356-E395 PolarHBondContact O-N 2.81Å; A356-E395 VanDerWaalsContact O-N 3.09Å; V357-E395 WeakPolarHBondContact CA-O 3.31Å; V357-E395 HydrophobicContact CG1-CB 4.35Å; V357-E395 HydrophobicContact CG2-CB 4.3Å; L358-E395 PolarHBondContact N-O 3.07Å; K359-E395 WeakPolarHBondContact CE-OE1 3.34Å; K359-E395 IonicContact NZ-OE1 3.66Å; K359-E395 PolarHBondContact NZ-OE1 3.46Å; E395-G427 CarbonylContact C-O 3.59Å; E395-G427 WeakPolarHBondContact CA-O 3.26Å
396	V	96.3	Very high	93.5	Very high	3 Å²	3	36.4 Å²	36.4	2%	0.018	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	121.6	171.5	-179.5	0	0	0	0	108.6	L358 I383 L393 L398 G427 V428 R429	L358-V396 VanDerWaalsContact O-CA 3.31Å; L358-V396 WeakPolarHBondContact O-CA 3.39Å; I383-V396 HydrophobicContact CG2-CG1 4.28Å; L393-V396 HydrophobicContact CD1-CG2 3.88Å; L393-V396 HydrophobicContact CD2-CG2 3.98Å; L393-V396 HydrophobicContact CG-CG2 4.27Å; V396-L398 HydrophobicContact CG1-CD1 4.06Å; V396-L398 HydrophobicContact CG1-CG 4.03Å; V396-G427 PolarHBondContact N-O 2.98Å; V396-V428 HydrophobicContact CB-CG2 4.47Å; V396-V428 WeakPolarHBondContact O-CA 3.31Å; V396-R429 PolarHBondContact O-N 2.9Å
397	D	95.7	Very high	93.4	Very high	9 Å²	9	36.1 Å²	36.1	5%	0.048	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	119.7	174.4	-151.5	-27.4	0	0	0	110.1	L358 K359 L360 A361 F399 R429	L358-D397 PolarHBondContact O-N 2.69Å; K359-D397 HydrophobicContact CB-CB 4.1Å; K359-D397 HydrophobicContact CD-CB 4.22Å; K359-D397 HydrophobicContact CG-CB 3.84Å; K359-D397 IonicContact NZ-OD2 3.82Å; K359-D397 PolarHBondContact NZ-OD2 3.43Å; L360-D397 CarbonylContact C-O 3.27Å; L360-D397 PolarHBondContact N-O 3.07Å; A361-D397 PolarHBondContact N-O 3.41Å; D397-F399 VanDerWaalsContact OD1-CB 3.27Å; D397-F399 WeakPolarHBondContact OD1-CB 3.35Å; D397-F399 PolarHBondContact OD1-N 3.34Å; D397-R429 VanDerWaalsContact OD1-CD 3.31Å; D397-R429 WeakPolarHBondContact OD1-CD 3.32Å; D397-R429 IonicContact OD1-CZ 2.68Å; D397-R429 IonicContact OD1-NE 3.51Å; D397-R429 IonicContact OD1-NH1 3.82Å; D397-R429 PolarHBondContact OD1-NH1 2.87Å; D397-R429 IonicContact OD2-CZ 3.24Å; D397-R429 IonicContact OD2-NH1 3.61Å; D397-R429 PolarHBondContact OD2-NH1 3.25Å
398	L	95.3	Very high	93.3	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.005	19%	0.186	C	C	.	.			trans	-127.1	19.6	178.2	-67	164.7	0	0	0	110.7	L360 I365 M380 I383 V396 N401 I411 R429 L430	L360-L398 HydrophobicContact CB-CD2 4.02Å; L360-L398 HydrophobicContact CD1-CD2 4.3Å; I365-L398 HydrophobicContact CD1-CD2 4.28Å; M380-L398 HydrophobicContact CE-CD1 4.42Å; M380-L398 HydrophobicContact CE-CD2 4.38Å; M380-L398 HydrophobicContact SD-CD1 3.89Å; I383-L398 HydrophobicContact CD1-CD1 3.85Å; I383-L398 HydrophobicContact CD1-CD2 3.85Å; I383-L398 HydrophobicContact CD1-CG 4.41Å; I383-L398 HydrophobicContact CG2-CD1 4.48Å; V396-L398 HydrophobicContact CG1-CD1 4.06Å; V396-L398 HydrophobicContact CG1-CG 4.03Å; L398-N401 PolarHBondContact O-N 3.24Å; L398-N401 PolarHBondContact O-ND2 3.44Å; L398-I411 HydrophobicContact CD1-CD1 4.45Å; L398-R429 CarbonylContact C-O 3.51Å; L398-R429 WeakPolarHBondContact CA-O 3.36Å; L398-R429 PolarHBondContact N-O 2.91Å; L398-L430 HydrophobicContact CB-CD2 4.06Å; L398-L430 HydrophobicContact CD1-CD2 3.99Å
399	F	93.6	Very high	93.3	Very high	82 Å²	82	43.1 Å²	43.1	36%	0.36	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	153.4	178.1	-173.5	-99.5	0	0	0	112.5	A361 D362 D397 N401 R429	A361-F399 CarbonylContact C-O 3.6Å; A361-F399 WeakPolarHBondContact CA-O 3.45Å; A361-F399 HydrophobicContact CB-CB 4.11Å; A361-F399 WeakPolarHBondContact CB-O 3.2Å; D362-F399 PolarHBondContact N-O 3.45Å; D397-F399 VanDerWaalsContact OD1-CB 3.27Å; D397-F399 WeakPolarHBondContact OD1-CB 3.35Å; D397-F399 PolarHBondContact OD1-N 3.34Å; F399-N401 PolarHBondContact O-N 3.05Å; F399-N401 VanDerWaalsContact O-N 3.1Å; F399-N401 PolarHBondContact O-ND2 3.43Å; F399-R429 HydrophobicContact CB-CG 4.1Å; F399-R429 VanDerWaalsContact CB-CZ 3.47Å; F399-R429 HydrophobicContact CD2-CG 4.3Å; F399-R429 PolarHBondContact N-O 3.5Å
400	A	92.3	Very high	93.4	Very high	44 Å²	44	41.6 Å²	41.6	36%	0.364	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.7	2.2	-177.7	0	0	0	0	0	116.4	D362 S431	D362-A400 HydrophobicContact CB-CB 3.93Å; A400-S431 WeakPolarHBondContact CA-OG 3.5Å; A400-S431 PolarHBondContact N-OG 3.24Å
401	N	93	Very high	93.6	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.011	20%	0.203	C	C	.	.			trans	-86.4	139.6	166.9	-61.8	-72.2	0	0	0	111.6	L360 N363 I365 L398 F399 I403 S431	L360-N401 PolarHBondContact O-ND2 2.87Å; N363-N401 PolarHBondContact N-OD1 2.93Å; I365-N401 HydrophobicContact CB-CB 4.06Å; I365-N401 WeakPolarHBondContact CB-OD1 3.41Å; I365-N401 PolarHBondContact N-OD1 3.3Å; I365-N401 VanDerWaalsContact N-OD1 3.16Å; L398-N401 PolarHBondContact O-N 3.24Å; L398-N401 PolarHBondContact O-ND2 3.44Å; F399-N401 PolarHBondContact O-N 3.05Å; F399-N401 VanDerWaalsContact O-N 3.1Å; F399-N401 PolarHBondContact O-ND2 3.43Å; N401-I403 HydrophobicContact CB-CG2 3.75Å; N401-I403 PolarHBondContact O-N 3.46Å; N401-S431 PolarHBondContact N-OG 3.48Å; N401-S431 VanDerWaalsContact N-OG 3.15Å; N401-S431 VanDerWaalsContact O-CB 3.24Å; N401-S431 WeakPolarHBondContact O-CB 3.27Å; N401-S431 PolarHBondContact O-OG 2.89Å
402	D	91.4	Very high	93.9	Very high	33 Å²	33	38 Å²	38	18%	0.176	19%	0.189	C	C	.	.			trans	-92.8	65.9	177.2	-83.4	-17.5	0	0	0	111.4	I365 S366 H367 G404 R433	I365-D402 CarbonylContact O-C 3.53Å; I365-D402 PolarHBondContact O-N 3.01Å; S366-D402 WeakPolarHBondContact CA-O 3.33Å; H367-D402 PolarHBondContact N-O 2.94Å; H367-D402 PolarHBondContact ND1-O 3.26Å; D402-G404 VanDerWaalsContact C-N 3.35Å; D402-G404 PolarHBondContact O-N 3.41Å; D402-R433 WeakPolarHBondContact OD1-CD 3.42Å; D402-R433 IonicContact OD1-NH1 2.68Å; D402-R433 IonicContact OD2-CZ 3.45Å; D402-R433 IonicContact OD2-NH1 3.86Å; D402-R433 PolarHBondContact OD2-NH1 2.97Å
403	I	92.5	Very high	94.1	Very high	3 Å²	3	37.3 Å²	37.3	2%	0.015	18%	0.184	C	C	.	.			trans	-71.5	-23.3	-171	68.8	172.6	0	0	0	114.7	I365 T376 M380 N401 A407 A408 L430 I434	I365-I403 HydrophobicContact CG2-CG2 4.45Å; T376-I403 HydrophobicContact CG2-CB 4.23Å; T376-I403 WeakPolarHBondContact CG2-O 3.46Å; M380-I403 HydrophobicContact CE-CB 4.41Å; M380-I403 HydrophobicContact CE-CG2 3.72Å; M380-I403 HydrophobicContact SD-CD1 4.3Å; M380-I403 HydrophobicContact SD-CG2 4.41Å; N401-I403 HydrophobicContact CB-CG2 3.75Å; N401-I403 PolarHBondContact O-N 3.46Å; I403-A407 HydrophobicContact CB-CB 4.23Å; I403-A407 WeakPolarHBondContact O-CB 3.33Å; I403-A408 HydrophobicContact CD1-CB 3.97Å; I403-A408 HydrophobicContact CG1-CB 4.39Å; I403-L430 HydrophobicContact CD1-CD1 4.49Å; I403-L430 HydrophobicContact CD1-CD2 4.06Å; I403-I434 HydrophobicContact CG1-CG2 4.22Å
404	G	91.6	Very high	94.2	Very high	5 Å²	5	37.2 Å²	37.2	5%	0.052	18%	0.183	C	C	.	.			trans	72	166.1	-177.9	0	0	0	0	0	115.5	D402 L406 A407 A408	D402-G404 VanDerWaalsContact C-N 3.35Å; D402-G404 PolarHBondContact O-N 3.41Å; G404-L406 PolarHBondContact O-N 3.16Å; G404-A407 PolarHBondContact O-N 3.08Å; G404-A408 WeakPolarHBondContact O-CB 3.37Å; G404-A408 PolarHBondContact O-N 3.05Å
405	D	92.3	Very high	94.3	Very high	89 Å²	89	33 Å²	33	48%	0.476	16%	0.163	S	C	.	.	H	α-helix	trans	-63.9	-43.8	-167.1	-72.3	-16.6	0	0	0	114.7	A407 A408 R409 I434 N435	D405-A407 VanDerWaalsContact C-N 3.28Å; D405-A407 PolarHBondContact O-N 2.85Å; D405-A408 PolarHBondContact O-N 3.23Å; D405-R409 WeakPolarHBondContact O-CB 3.43Å; D405-R409 PolarHBondContact O-N 3Å; D405-I434 VanDerWaalsContact OD1-CA 3.25Å; D405-I434 WeakPolarHBondContact OD1-CA 3.44Å; D405-N435 PolarHBondContact OD1-N 3.01Å
406	L	92.2	Very high	94.3	Very high	109 Å²	109	34.3 Å²	34.3	57%	0.571	17%	0.171	S	C	*	.	H	α-helix	trans	-63.4	-37.1	-179.1	-67.4	178.7	0	0	0	111.6	V377 G404 Q410	V377-L406 HydrophobicContact CG2-CB 4.03Å; G404-L406 PolarHBondContact O-N 3.16Å; L406-Q410 PolarHBondContact O-N 2.86Å
407	A	93.2	Very high	94.3	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-76.4	-40.8	179.4	0	0	0	0	0	110.9	T376 V377 M380 I403 G404 D405 R409 Q410 I411	T376-A407 HydrophobicContact CG2-CB 4.16Å; V377-A407 HydrophobicContact CG2-CB 4.07Å; M380-A407 HydrophobicContact CB-CB 3.94Å; M380-A407 WeakPolarHBondContact CB-O 3.41Å; M380-A407 HydrophobicContact CG-CB 3.48Å; M380-A407 VanDerWaalsContact CG-CB 3.48Å; I403-A407 HydrophobicContact CB-CB 4.23Å; I403-A407 WeakPolarHBondContact O-CB 3.33Å; G404-A407 PolarHBondContact O-N 3.08Å; D405-A407 VanDerWaalsContact C-N 3.28Å; D405-A407 PolarHBondContact O-N 2.85Å; A407-R409 VanDerWaalsContact C-N 3.29Å; A407-R409 PolarHBondContact O-N 3.47Å; A407-Q410 WeakPolarHBondContact O-CB 3.33Å; A407-Q410 PolarHBondContact O-N 2.85Å; A407-Q410 VanDerWaalsContact O-N 3.14Å; A407-I411 PolarHBondContact O-N 3.14Å
408	A	94.9	Very high	94.2	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-61.2	-35.5	172.1	0	0	0	0	0	113	I403 G404 D405 Q410 I411 L412 I434 T438	I403-A408 HydrophobicContact CD1-CB 3.97Å; I403-A408 HydrophobicContact CG1-CB 4.39Å; G404-A408 WeakPolarHBondContact O-CB 3.37Å; G404-A408 PolarHBondContact O-N 3.05Å; D405-A408 PolarHBondContact O-N 3.23Å; A408-Q410 VanDerWaalsContact C-N 3.33Å; A408-Q410 PolarHBondContact O-N 3.49Å; A408-I411 WeakPolarHBondContact O-CB 2.92Å; A408-I411 PolarHBondContact O-N 3.4Å; A408-I411 VanDerWaalsContact O-N 3.15Å; A408-L412 PolarHBondContact O-N 3.18Å; A408-I434 HydrophobicContact CB-CB 4.18Å; A408-I434 HydrophobicContact CB-CD1 3.74Å; A408-I434 HydrophobicContact CB-CG2 3.87Å; A408-T438 HydrophobicContact CB-CG2 4.12Å
409	R	94.5	Very high	94.1	Very high	154 Å²	154	43.1 Å²	43.1	58%	0.581	22%	0.216	S	C	*	.	H	α-helix	trans	-62.9	-36.7	174.1	-172.2	175.6	179.3	136.8	1	112.4	D405 A407 I411 L412 E413	D405-R409 WeakPolarHBondContact O-CB 3.43Å; D405-R409 PolarHBondContact O-N 3Å; A407-R409 VanDerWaalsContact C-N 3.29Å; A407-R409 PolarHBondContact O-N 3.47Å; R409-I411 VanDerWaalsContact C-N 3.32Å; R409-I411 PolarHBondContact O-N 3.32Å; R409-L412 PolarHBondContact O-N 3.21Å; R409-E413 IonicContact NE-OE1 3.81Å; R409-E413 PolarHBondContact NE-OE1 2.94Å; R409-E413 WeakPolarHBondContact O-CB 3.13Å; R409-E413 WeakPolarHBondContact O-CG 3.45Å; R409-E413 PolarHBondContact O-N 3.11Å
410	Q	95.8	Very high	94.1	Very high	32 Å²	32	44.8 Å²	44.8	15%	0.15	23%	0.229	C	C	.	.	H	α-helix	trans	-61.6	-41	172.5	-64.6	-53.1	-71.8	0	0	111.7	M380 Q381 K384 L406 A407 A408 E413 G414	M380-Q410 HydrophobicContact CB-CB 4.2Å; Q381-Q410 HydrophobicContact CG-CG 4.22Å; K384-Q410 HydrophobicContact CB-CB 4.28Å; K384-Q410 WeakPolarHBondContact CB-O 3.34Å; K384-Q410 HydrophobicContact CD-CB 3.94Å; K384-Q410 HydrophobicContact CD-CG 4.49Å; K384-Q410 WeakPolarHBondContact CD-O 3.48Å; K384-Q410 WeakPolarHBondContact CG-O 3.45Å; L406-Q410 PolarHBondContact O-N 2.86Å; A407-Q410 WeakPolarHBondContact O-CB 3.33Å; A407-Q410 PolarHBondContact O-N 2.85Å; A407-Q410 VanDerWaalsContact O-N 3.14Å; A408-Q410 VanDerWaalsContact C-N 3.33Å; A408-Q410 PolarHBondContact O-N 3.49Å; Q410-E413 PolarHBondContact NE2-OE2 3.38Å; Q410-E413 PolarHBondContact O-N 2.8Å; Q410-G414 PolarHBondContact O-N 2.95Å
411	I	96.4	Very high	94	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-63	-44.5	175.9	-60	-58	0	0	0	111.6	M380 I383 I387 L398 A407 A408 R409 G414 I415 V428 L430	M380-I411 HydrophobicContact CB-CD1 4.16Å; M380-I411 HydrophobicContact CB-CG1 4.29Å; M380-I411 HydrophobicContact CG-CD1 4.43Å; M380-I411 HydrophobicContact CG-CG1 4.35Å; M380-I411 HydrophobicContact SD-CD1 3.79Å; M380-I411 HydrophobicContact SD-CG1 3.95Å; I383-I411 HydrophobicContact CB-CD1 3.76Å; I383-I411 HydrophobicContact CG2-CD1 3.48Å; I383-I411 VanDerWaalsContact CG2-CD1 3.48Å; I387-I411 HydrophobicContact CD1-CD1 4.35Å; I387-I411 HydrophobicContact CD1-CG2 4.28Å; L398-I411 HydrophobicContact CD1-CD1 4.45Å; A407-I411 PolarHBondContact O-N 3.14Å; A408-I411 WeakPolarHBondContact O-CB 2.92Å; A408-I411 PolarHBondContact O-N 3.4Å; A408-I411 VanDerWaalsContact O-N 3.15Å; R409-I411 VanDerWaalsContact C-N 3.32Å; R409-I411 PolarHBondContact O-N 3.32Å; I411-G414 PolarHBondContact O-N 3.37Å; I411-I415 HydrophobicContact CG2-CD1 3.95Å; I411-I415 VanDerWaalsContact O-CG1 3.32Å; I411-I415 WeakPolarHBondContact O-CG1 3.24Å; I411-I415 PolarHBondContact O-N 3.38Å; I411-V428 HydrophobicContact CG2-CG1 3.73Å; I411-L430 HydrophobicContact CG2-CD1 4.36Å; I411-L430 HydrophobicContact CG2-CD2 4.42Å
412	L	96.3	Very high	93.9	Very high	16 Å²	16	54 Å²	54	8%	0.084	27%	0.269	C	S	.	.	H	α-helix	trans	-61.9	-45.1	176.2	178.5	58	0	0	0	112	A408 R409 G414 I415 L416 T438 M441 V442 L445	A408-L412 PolarHBondContact O-N 3.18Å; R409-L412 PolarHBondContact O-N 3.21Å; L412-G414 VanDerWaalsContact C-N 3.33Å; L412-G414 PolarHBondContact O-N 3.08Å; L412-I415 PolarHBondContact O-N 3.35Å; L412-L416 HydrophobicContact CD1-CD1 4.46Å; L412-L416 HydrophobicContact CD1-CG 4.45Å; L412-L416 HydrophobicContact CG-CD1 4.32Å; L412-L416 WeakPolarHBondContact O-CG 3.44Å; L412-L416 PolarHBondContact O-N 3.26Å; L412-T438 HydrophobicContact CB-CG2 4.34Å; L412-T438 HydrophobicContact CD2-CG2 4.14Å; L412-M441 HydrophobicContact CD1-CB 3.9Å; L412-M441 HydrophobicContact CD2-CB 4.21Å; L412-M441 HydrophobicContact CD2-CE 4.13Å; L412-M441 HydrophobicContact CD2-SD 4.24Å; L412-V442 HydrophobicContact CB-CG2 4.01Å; L412-V442 HydrophobicContact CD1-CG2 4.12Å; L412-L445 HydrophobicContact CD1-CD1 3.91Å
413	E	96.5	Very high	93.9	Very high	58 Å²	58	53.7 Å²	53.7	27%	0.271	27%	0.268	S	S	.	.	H	α-helix	trans	-57.4	-44.4	174.9	-74.7	168.3	-166.7	0	0	111.5	K384 R409 Q410 I415 L416 C417	K384-E413 HydrophobicContact CD-CB 4.38Å; K384-E413 IonicContact NZ-OE2 3.47Å; K384-E413 PolarHBondContact NZ-OE2 2.78Å; R409-E413 IonicContact NE-OE1 3.81Å; R409-E413 PolarHBondContact NE-OE1 2.94Å; R409-E413 WeakPolarHBondContact O-CB 3.13Å; R409-E413 WeakPolarHBondContact O-CG 3.45Å; R409-E413 PolarHBondContact O-N 3.11Å; Q410-E413 PolarHBondContact NE2-OE2 3.38Å; Q410-E413 PolarHBondContact O-N 2.8Å; E413-I415 PolarHBondContact O-N 3.14Å; E413-L416 PolarHBondContact O-N 3.37Å; E413-C417 PolarHBondContact O-N 2.95Å; E413-C417 PolarHBondContact O-SG 3.01Å; E413-C417 VanDerWaalsContact O-SG 3.34Å
414	G	95.8	Very high	93.8	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-62.6	-40.1	176.9	0	0	0	0	0	113.5	S388 Q410 I411 L412 L416 C417 R418	S388-G414 WeakPolarHBondContact OG-CA 3.34Å; Q410-G414 PolarHBondContact O-N 2.95Å; I411-G414 PolarHBondContact O-N 3.37Å; L412-G414 VanDerWaalsContact C-N 3.33Å; L412-G414 PolarHBondContact O-N 3.08Å; G414-L416 VanDerWaalsContact C-N 3.33Å; G414-L416 PolarHBondContact O-N 2.84Å; G414-C417 PolarHBondContact O-N 3.37Å; G414-R418 VanDerWaalsContact O-CB 3.31Å; G414-R418 WeakPolarHBondContact O-CB 3.42Å; G414-R418 PolarHBondContact O-N 2.97Å
415	I	95.7	Very high	93.8	Very high	10 Å²	10	62.6 Å²	62.6	5%	0.051	32%	0.315	C	S	.	.	H	α-helix	trans	-65.3	-36.5	176.4	-66.6	163.5	0	0	0	111.3	I387 I411 L412 E413 K419 V428 V442 L445 A446	I387-I415 HydrophobicContact CG2-CG1 4.02Å; I411-I415 HydrophobicContact CG2-CD1 3.95Å; I411-I415 VanDerWaalsContact O-CG1 3.32Å; I411-I415 WeakPolarHBondContact O-CG1 3.24Å; I411-I415 PolarHBondContact O-N 3.38Å; L412-I415 PolarHBondContact O-N 3.35Å; E413-I415 PolarHBondContact O-N 3.14Å; I415-K419 PolarHBondContact O-N 3.46Å; I415-K419 VanDerWaalsContact O-N 3.16Å; I415-V428 HydrophobicContact CD1-CB 4.09Å; I415-V428 HydrophobicContact CD1-CG1 4.37Å; I415-V428 HydrophobicContact CD1-CG2 3.92Å; I415-V428 HydrophobicContact CG1-CG2 4.23Å; I415-V442 HydrophobicContact CD1-CB 4.36Å; I415-V442 HydrophobicContact CD1-CG1 3.82Å; I415-V442 HydrophobicContact CD1-CG2 4.09Å; I415-L445 HydrophobicContact CG2-CB 3.62Å; I415-L445 HydrophobicContact CG2-CD1 4.16Å; I415-A446 HydrophobicContact CD1-CB 4.03Å; I415-A446 HydrophobicContact CG1-CB 4.49Å; I415-A446 HydrophobicContact CG2-CB 4.45Å
416	L	96	Very high	93.8	Very high	70 Å²	70	58.5 Å²	58.5	37%	0.366	29%	0.293	S	S	.	.	H	α-helix	trans	-67.3	-51	174.2	-67.4	170.1	0	0	0	111	L412 E413 G414 R418 K419 D420 L445	L412-L416 HydrophobicContact CD1-CD1 4.46Å; L412-L416 HydrophobicContact CD1-CG 4.45Å; L412-L416 HydrophobicContact CG-CD1 4.32Å; L412-L416 WeakPolarHBondContact O-CG 3.44Å; L412-L416 PolarHBondContact O-N 3.26Å; E413-L416 PolarHBondContact O-N 3.37Å; G414-L416 VanDerWaalsContact C-N 3.33Å; G414-L416 PolarHBondContact O-N 2.84Å; L416-R418 VanDerWaalsContact C-N 3.27Å; L416-R418 PolarHBondContact O-N 2.68Å; L416-K419 WeakPolarHBondContact O-CB 3.48Å; L416-K419 PolarHBondContact O-N 3.38Å; L416-D420 PolarHBondContact O-N 3.34Å; L416-L445 HydrophobicContact CD2-CD1 3.89Å
417	C	94.9	Very high	93.9	Very high	63 Å²	63	53.5 Å²	53.5	43%	0.426	27%	0.267	S	S	.	.	H	α-helix	trans	-56.7	-39.8	175.7	-66	0	0	0	0	112.5	E413 G414 K419 D420 A421	E413-C417 PolarHBondContact O-N 2.95Å; E413-C417 PolarHBondContact O-SG 3.01Å; E413-C417 VanDerWaalsContact O-SG 3.34Å; G414-C417 PolarHBondContact O-N 3.37Å; C417-K419 VanDerWaalsContact C-N 3.35Å; C417-K419 PolarHBondContact O-N 3.25Å; C417-D420 PolarHBondContact O-N 2.68Å; C417-A421 VanDerWaalsContact O-CB 3.26Å; C417-A421 WeakPolarHBondContact O-CB 3.33Å; C417-A421 PolarHBondContact O-N 2.93Å
418	R	94.6	Very high	94	Very high	7 Å²	7	54 Å²	54	3%	0.026	27%	0.27	C	S	.	.	H	α-helix	trans	-59.6	-42.4	174.5	-173.4	-179.1	-173.8	82.8	0.1	112.5	I387 S390 L393 G414 L416 K422 L423 P424	I387-R418 HydrophobicContact CG2-CB 4.24Å; I387-R418 WeakPolarHBondContact O-CB 3.4Å; I387-R418 VanDerWaalsContact O-CD 3.24Å; I387-R418 WeakPolarHBondContact O-CD 3.37Å; I387-R418 WeakPolarHBondContact O-CG 3.47Å; I387-R418 PolarHBondContact O-NH1 3.14Å; S390-R418 PolarHBondContact O-NH1 3.21Å; S390-R418 PolarHBondContact O-NH2 2.98Å; L393-R418 PolarHBondContact O-NH2 3.15Å; G414-R418 VanDerWaalsContact O-CB 3.31Å; G414-R418 WeakPolarHBondContact O-CB 3.42Å; G414-R418 PolarHBondContact O-N 2.97Å; L416-R418 VanDerWaalsContact C-N 3.27Å; L416-R418 PolarHBondContact O-N 2.68Å; R418-K422 PolarHBondContact O-N 3.46Å; R418-L423 HydrophobicContact CG-CB 3.64Å; R418-L423 HydrophobicContact CG-CD1 3.97Å; R418-L423 HydrophobicContact CG-CG 4.44Å; R418-L423 PolarHBondContact O-N 3.15Å; R418-L423 VanDerWaalsContact O-N 3.15Å; R418-P424 PolarHBondContact NE-O 3.4Å; R418-P424 PolarHBondContact NH2-O 2.97Å
419	K	93.6	Very high	94	Very high	128 Å²	128	59.2 Å²	59.2	56%	0.557	29%	0.29	S	S	*	.	H	α-helix	trans	-67.3	-43.4	179.4	-179.4	-169.3	171.8	-160.6	0	111.3	I415 L416 C417 A421 K422	I415-K419 PolarHBondContact O-N 3.46Å; I415-K419 VanDerWaalsContact O-N 3.16Å; L416-K419 WeakPolarHBondContact O-CB 3.48Å; L416-K419 PolarHBondContact O-N 3.38Å; C417-K419 VanDerWaalsContact C-N 3.35Å; C417-K419 PolarHBondContact O-N 3.25Å; K419-A421 VanDerWaalsContact C-N 3.34Å; K419-K422 WeakPolarHBondContact O-CA 3.43Å; K419-K422 PolarHBondContact O-N 3.02Å
420	D	93.1	Very high	94	Very high	118 Å²	118	52.3 Å²	52.3	63%	0.631	26%	0.264	S	S	*	.	H	α-helix	trans	-69.3	-34.5	179	-61.9	-27.3	0	0	0	111.6	L416 C417 K422	L416-D420 PolarHBondContact O-N 3.34Å; C417-D420 PolarHBondContact O-N 2.68Å; D420-K422 PolarHBondContact O-N 3.23Å
421	A	90.9	Very high	93.7	Very high	47 Å²	47	51.1 Å²	51.1	39%	0.388	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	1.6	168.3	0	0	0	0	0	114.5	C417 K419 L423	C417-A421 VanDerWaalsContact O-CB 3.26Å; C417-A421 WeakPolarHBondContact O-CB 3.33Å; C417-A421 PolarHBondContact O-N 2.93Å; K419-A421 VanDerWaalsContact C-N 3.34Å; A421-L423 HydrophobicContact CB-CG 4.43Å; A421-L423 PolarHBondContact O-N 3.32Å
422	K	90.8	Very high	93.2	Very high	192 Å²	192	57.1 Å²	57.1	84%	0.835	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.1	32.2	176.6	-60.4	170.4	-172.9	171.3	0	114.1	R418 K419 D420	R418-K422 PolarHBondContact O-N 3.46Å; K419-K422 WeakPolarHBondContact O-CA 3.43Å; K419-K422 PolarHBondContact O-N 3.02Å; D420-K422 PolarHBondContact O-N 3.23Å
423	L	90.7	Very high	92.9	Very high	27 Å²	27	64 Å²	64	14%	0.141	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-77.8	163.4	177.4	-78.2	176	0	0	0	112.7	S388 K391 R418 A421	S388-L423 WeakPolarHBondContact O-CD1 3.35Å; K391-L423 HydrophobicContact CG-CD2 4.15Å; R418-L423 HydrophobicContact CG-CB 3.64Å; R418-L423 HydrophobicContact CG-CD1 3.97Å; R418-L423 HydrophobicContact CG-CG 4.44Å; R418-L423 PolarHBondContact O-N 3.15Å; R418-L423 VanDerWaalsContact O-N 3.15Å; A421-L423 HydrophobicContact CB-CG 4.43Å; A421-L423 PolarHBondContact O-N 3.32Å
424	P	90.6	Very high	92.7	Very high	78 Å²	78	62 Å²	62	51%	0.506	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-57.7	140.1	176	-24	34.7	0	0	0	112.8	R418	R418-P424 PolarHBondContact NE-O 3.4Å; R418-P424 PolarHBondContact NH2-O 2.97Å
425	Q	90.8	Very high	92.6	Very high	117 Å²	117	65 Å²	65	55%	0.547	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-65	137.6	174.9	-175.7	173.1	41.2	0	0	111.1	L445	Q425-L445 PolarHBondContact NE2-O 3.47Å
426	I	93.6	Very high	92.5	Very high	3 Å²	3	69.5 Å²	69.5	2%	0.015	34%	0.34	C	S	.	.			trans	-115.3	170.3	-177	59.5	172.1	0	0	0	112.3	I387 L393 Q394 V428 A446 G448	I387-I426 HydrophobicContact CB-CD1 4.47Å; I387-I426 HydrophobicContact CD1-CD1 4.47Å; I387-I426 HydrophobicContact CG1-CD1 4.02Å; I387-I426 HydrophobicContact CG2-CD1 3.86Å; L393-I426 HydrophobicContact CD2-CD1 4.03Å; L393-I426 HydrophobicContact CG-CG2 4.45Å; L393-I426 WeakPolarHBondContact O-CG2 3.27Å; Q394-I426 CarbonylContact O-C 3.5Å; Q394-I426 VanDerWaalsContact O-CA 3.26Å; Q394-I426 WeakPolarHBondContact O-CA 3.29Å; Q394-I426 WeakPolarHBondContact O-CB 3.47Å; I426-V428 HydrophobicContact CD1-CG2 3.56Å; I426-V428 HydrophobicContact CG1-CG2 4.04Å; I426-A446 HydrophobicContact CG1-CB 4.3Å; I426-A446 CarbonylContact O-C 3.59Å; I426-A446 VanDerWaalsContact O-C 3.27Å; I426-A446 WeakPolarHBondContact O-CA 3.39Å; I426-G448 PolarHBondContact O-N 2.93Å
427	G	94	Very high	92.4	Very high	4 Å²	4	71.3 Å²	71.3	4%	0.041	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	133.4	156.6	0	0	0	0	0	111.6	Q394 E395 V396 A446	Q394-G427 PolarHBondContact O-N 3.04Å; E395-G427 CarbonylContact C-O 3.59Å; E395-G427 WeakPolarHBondContact CA-O 3.26Å; V396-G427 PolarHBondContact N-O 2.98Å; G427-A446 WeakPolarHBondContact CA-O 3.32Å
428	V	95.6	Very high	92.4	Very high	9 Å²	9	69.2 Å²	69.2	6%	0.055	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	124.1	162.1	-178.7	0	0	0	0	107.6	I387 V396 I411 I415 I426 L430 V442 A446	I387-V428 HydrophobicContact CD1-CG2 4.01Å; V396-V428 HydrophobicContact CB-CG2 4.47Å; V396-V428 WeakPolarHBondContact O-CA 3.31Å; I411-V428 HydrophobicContact CG2-CG1 3.73Å; I415-V428 HydrophobicContact CD1-CB 4.09Å; I415-V428 HydrophobicContact CD1-CG1 4.37Å; I415-V428 HydrophobicContact CD1-CG2 3.92Å; I415-V428 HydrophobicContact CG1-CG2 4.23Å; I426-V428 HydrophobicContact CD1-CG2 3.56Å; I426-V428 HydrophobicContact CG1-CG2 4.04Å; V428-L430 HydrophobicContact CG1-CD2 4.08Å; V428-L430 HydrophobicContact CG1-CG 4.3Å; V428-V442 HydrophobicContact CB-CG1 4.17Å; V428-V442 HydrophobicContact CG1-CG1 4.03Å; V428-A446 HydrophobicContact CB-CB 3.83Å; V428-A446 HydrophobicContact CG2-CB 3.86Å; V428-A446 PolarHBondContact N-O 3.33Å
429	R	94.3	Very high	92.3	Very high	110 Å²	110	70.7 Å²	70.7	42%	0.415	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	124.5	178.5	-177.3	177.5	164.7	-134.6	2.3	109.6	V396 D397 L398 F399	V396-R429 PolarHBondContact O-N 2.9Å; D397-R429 VanDerWaalsContact OD1-CD 3.31Å; D397-R429 WeakPolarHBondContact OD1-CD 3.32Å; D397-R429 IonicContact OD1-CZ 2.68Å; D397-R429 IonicContact OD1-NE 3.51Å; D397-R429 IonicContact OD1-NH1 3.82Å; D397-R429 PolarHBondContact OD1-NH1 2.87Å; D397-R429 IonicContact OD2-CZ 3.24Å; D397-R429 IonicContact OD2-NH1 3.61Å; D397-R429 PolarHBondContact OD2-NH1 3.25Å; L398-R429 CarbonylContact C-O 3.51Å; L398-R429 WeakPolarHBondContact CA-O 3.36Å; L398-R429 PolarHBondContact N-O 2.91Å; F399-R429 HydrophobicContact CB-CG 4.1Å; F399-R429 VanDerWaalsContact CB-CZ 3.47Å; F399-R429 HydrophobicContact CD2-CG 4.3Å; F399-R429 PolarHBondContact N-O 3.5Å
430	L	93.3	Very high	92.3	Very high	9 Å²	9	67.8 Å²	67.8	5%	0.047	33%	0.333	C	S	.	.			trans	-118.3	166.3	-179.8	-57.8	-176.7	0	0	0	110.7	L398 I403 I411 V428 I434 V442	L398-L430 HydrophobicContact CB-CD2 4.06Å; L398-L430 HydrophobicContact CD1-CD2 3.99Å; I403-L430 HydrophobicContact CD1-CD1 4.49Å; I403-L430 HydrophobicContact CD1-CD2 4.06Å; I411-L430 HydrophobicContact CG2-CD1 4.36Å; I411-L430 HydrophobicContact CG2-CD2 4.42Å; V428-L430 HydrophobicContact CG1-CD2 4.08Å; V428-L430 HydrophobicContact CG1-CG 4.3Å; L430-I434 HydrophobicContact CB-CD1 4.44Å; L430-I434 HydrophobicContact CD1-CD1 3.86Å; L430-V442 HydrophobicContact CD1-CB 4.3Å; L430-V442 HydrophobicContact CD1-CG1 3.92Å; L430-V442 HydrophobicContact CD1-CG2 4.1Å; L430-V442 HydrophobicContact CG-CG1 4.18Å
431	S	90.8	Very high	92.4	Very high	8 Å²	8	66.3 Å²	66.3	6%	0.056	32%	0.323	C	S	.	.			trans	-68.6	162	164.1	-58.4	0	0	0	0	112	A400 N401 F439	A400-S431 WeakPolarHBondContact CA-OG 3.5Å; A400-S431 PolarHBondContact N-OG 3.24Å; N401-S431 PolarHBondContact N-OG 3.48Å; N401-S431 VanDerWaalsContact N-OG 3.15Å; N401-S431 VanDerWaalsContact O-CB 3.24Å; N401-S431 WeakPolarHBondContact O-CB 3.27Å; N401-S431 PolarHBondContact O-OG 2.89Å; S431-F439 VanDerWaalsContact O-CD2 3.29Å; S431-F439 WeakPolarHBondContact O-CD2 3.38Å; S431-F439 WeakPolarHBondContact O-CE2 3.09Å
432	H	86.2	Confident	92.5	Very high	126 Å²	126	64.3 Å²	64.3	58%	0.583	31%	0.306	S	S	*	.	S	Bend	trans	-87.2	-6.1	177	61.3	-93.2	0	0	0	113.7	I434 F439	H432-I434 PolarHBondContact O-N 3.32Å; H432-F439 HydrophobicContact CB-CE2 4.5Å
433	R	89.4	Confident	92.6	Very high	160 Å²	160	62.7 Å²	62.7	60%	0.604	30%	0.295	S	S	*	.	S	Bend	trans	-81.3	51.4	179.1	-73.7	174.6	163.6	-170.4	-1.4	112.1	D402	D402-R433 WeakPolarHBondContact OD1-CD 3.42Å; D402-R433 IonicContact OD1-NH1 2.68Å; D402-R433 IonicContact OD2-CZ 3.45Å; D402-R433 IonicContact OD2-NH1 3.86Å; D402-R433 PolarHBondContact OD2-NH1 2.97Å
434	I	92.1	Very high	92.7	Very high	16 Å²	16	69.8 Å²	69.8	8%	0.082	32%	0.324	C	S	.	.	S	Bend	trans	-146	164.6	177.3	63.3	171.6	0	0	0	109	I403 D405 A408 L430 H432 Q436 F439	I403-I434 HydrophobicContact CG1-CG2 4.22Å; D405-I434 VanDerWaalsContact OD1-CA 3.25Å; D405-I434 WeakPolarHBondContact OD1-CA 3.44Å; A408-I434 HydrophobicContact CB-CB 4.18Å; A408-I434 HydrophobicContact CB-CD1 3.74Å; A408-I434 HydrophobicContact CB-CG2 3.87Å; L430-I434 HydrophobicContact CB-CD1 4.44Å; L430-I434 HydrophobicContact CD1-CD1 3.86Å; H432-I434 PolarHBondContact O-N 3.32Å; I434-Q436 PolarHBondContact O-N 3.41Å; I434-F439 HydrophobicContact CD1-CB 3.94Å; I434-F439 HydrophobicContact CD1-CD2 4.21Å; I434-F439 HydrophobicContact CG1-CB 3.96Å; I434-F439 HydrophobicContact CG1-CD2 4.36Å
435	N	93.3	Very high	92.8	Very high	63 Å²	63	68.3 Å²	68.3	34%	0.337	31%	0.312	S	S	.	.			trans	-46.7	125.5	173.1	167.4	-89	0	0	0	111.9	D405 D437 T438 F439	D405-N435 PolarHBondContact OD1-N 3.01Å; N435-D437 PolarHBondContact O-N 3.25Å; N435-D437 PolarHBondContact OD1-N 3.08Å; N435-T438 WeakPolarHBondContact O-CB 3.29Å; N435-T438 PolarHBondContact O-N 3.32Å; N435-T438 VanDerWaalsContact O-N 3.08Å; N435-T438 PolarHBondContact OD1-N 3.04Å; N435-T438 PolarHBondContact OD1-OG1 2.87Å; N435-F439 PolarHBondContact O-N 2.91Å
436	Q	93.8	Very high	92.9	Very high	105 Å²	105	62.8 Å²	62.8	49%	0.491	29%	0.287	S	S	.	.	H	α-helix	trans	-60.9	-40.9	-170.2	-174	63.1	38.6	0	0	113	I434 T438 F439 D440	I434-Q436 PolarHBondContact O-N 3.41Å; Q436-T438 VanDerWaalsContact C-N 3.29Å; Q436-T438 PolarHBondContact O-N 3.31Å; Q436-F439 PolarHBondContact O-N 3.16Å; Q436-D440 PolarHBondContact NE2-OD2 3.01Å; Q436-D440 PolarHBondContact O-N 3.06Å
437	D	94.4	Very high	92.6	Very high	108 Å²	108	66.6 Å²	66.6	58%	0.578	31%	0.311	S	S	*	.	H	α-helix	trans	-61.9	-40.2	177.5	-58.6	-54.4	0	0	0	111.2	N435 M441	N435-D437 PolarHBondContact O-N 3.25Å; N435-D437 PolarHBondContact OD1-N 3.08Å; D437-M441 HydrophobicContact CB-CE 3.97Å; D437-M441 VanDerWaalsContact O-CB 3.23Å; D437-M441 WeakPolarHBondContact O-CB 3.34Å; D437-M441 VanDerWaalsContact O-CE 3.31Å; D437-M441 WeakPolarHBondContact O-CE 3.35Å; D437-M441 VanDerWaalsContact O-CG 3.26Å; D437-M441 WeakPolarHBondContact O-CG 3.41Å; D437-M441 PolarHBondContact O-N 2.78Å
438	T	93.9	Very high	91.7	Very high	18 Å²	18	67.1 Å²	67.1	11%	0.11	32%	0.317	C	S	.	.	H	α-helix	trans	-64.7	-45.5	175.7	-56.7	0	0	0	0	110.9	A408 L412 N435 Q436 M441 V442	A408-T438 HydrophobicContact CB-CG2 4.12Å; L412-T438 HydrophobicContact CB-CG2 4.34Å; L412-T438 HydrophobicContact CD2-CG2 4.14Å; N435-T438 WeakPolarHBondContact O-CB 3.29Å; N435-T438 PolarHBondContact O-N 3.32Å; N435-T438 VanDerWaalsContact O-N 3.08Å; N435-T438 PolarHBondContact OD1-N 3.04Å; N435-T438 PolarHBondContact OD1-OG1 2.87Å; Q436-T438 VanDerWaalsContact C-N 3.29Å; Q436-T438 PolarHBondContact O-N 3.31Å; T438-M441 PolarHBondContact O-N 2.79Å; T438-V442 WeakPolarHBondContact O-CG2 3.45Å; T438-V442 PolarHBondContact O-N 2.96Å
439	F	93.6	Very high	90.3	Very high	38 Å²	38	69.2 Å²	69.2	17%	0.167	33%	0.331	C	S	.	.	H	α-helix	trans	-59.1	-52	176.3	-179.7	-97.1	0	0	0	112.2	S431 H432 I434 N435 Q436 V442 R443	S431-F439 VanDerWaalsContact O-CD2 3.29Å; S431-F439 WeakPolarHBondContact O-CD2 3.38Å; S431-F439 WeakPolarHBondContact O-CE2 3.09Å; H432-F439 HydrophobicContact CB-CE2 4.5Å; I434-F439 HydrophobicContact CD1-CB 3.94Å; I434-F439 HydrophobicContact CD1-CD2 4.21Å; I434-F439 HydrophobicContact CG1-CB 3.96Å; I434-F439 HydrophobicContact CG1-CD2 4.36Å; N435-F439 PolarHBondContact O-N 2.91Å; Q436-F439 PolarHBondContact O-N 3.16Å; F439-V442 PolarHBondContact O-N 2.68Å; F439-R443 VanDerWaalsContact O-CB 3.31Å; F439-R443 WeakPolarHBondContact O-CB 3.25Å; F439-R443 PolarHBondContact O-N 3.39Å
440	D	94	Very high	88.6	Confident	67 Å²	67	73.3 Å²	73.3	36%	0.358	35%	0.352	S	S	.	.	H	α-helix	trans	-71.5	-30.7	-177.8	-80.6	-38.4	0	0	0	112.5	Q436 R443 K444	Q436-D440 PolarHBondContact NE2-OD2 3.01Å; Q436-D440 PolarHBondContact O-N 3.06Å; D440-R443 IonicContact OD1-NH1 3.75Å; D440-K444 WeakPolarHBondContact O-CB 3.34Å; D440-K444 PolarHBondContact O-N 2.72Å
441	M	94.4	Very high	86.8	Confident	88 Å²	88	81.2 Å²	81.2	43%	0.433	39%	0.386	S	S	.	.	H	α-helix	trans	-63.7	-47.6	169.4	-80.4	-170.7	-87.3	0	0	112.1	L412 D437 T438 R443 K444 L445	L412-M441 HydrophobicContact CD1-CB 3.9Å; L412-M441 HydrophobicContact CD2-CB 4.21Å; L412-M441 HydrophobicContact CD2-CE 4.13Å; L412-M441 HydrophobicContact CD2-SD 4.24Å; D437-M441 HydrophobicContact CB-CE 3.97Å; D437-M441 VanDerWaalsContact O-CB 3.23Å; D437-M441 WeakPolarHBondContact O-CB 3.34Å; D437-M441 VanDerWaalsContact O-CE 3.31Å; D437-M441 WeakPolarHBondContact O-CE 3.35Å; D437-M441 VanDerWaalsContact O-CG 3.26Å; D437-M441 WeakPolarHBondContact O-CG 3.41Å; D437-M441 PolarHBondContact O-N 2.78Å; T438-M441 PolarHBondContact O-N 2.79Å; M441-R443 PolarHBondContact O-N 3.47Å; M441-K444 PolarHBondContact O-N 2.83Å; M441-L445 WeakPolarHBondContact O-CB 3.31Å; M441-L445 VanDerWaalsContact O-CG 3.26Å; M441-L445 WeakPolarHBondContact O-CG 3.23Å; M441-L445 PolarHBondContact O-N 3.23Å
442	V	94.1	Very high	84.7	Confident	4 Å²	4	90.2 Å²	90.2	2%	0.024	42%	0.424	C	S	.	.	H	α-helix	trans	-59.2	-49.1	175.7	169.6	0	0	0	0	110.4	L412 I415 V428 L430 T438 F439 K444 L445 A446	L412-V442 HydrophobicContact CB-CG2 4.01Å; L412-V442 HydrophobicContact CD1-CG2 4.12Å; I415-V442 HydrophobicContact CD1-CB 4.36Å; I415-V442 HydrophobicContact CD1-CG1 3.82Å; I415-V442 HydrophobicContact CD1-CG2 4.09Å; V428-V442 HydrophobicContact CB-CG1 4.17Å; V428-V442 HydrophobicContact CG1-CG1 4.03Å; L430-V442 HydrophobicContact CD1-CB 4.3Å; L430-V442 HydrophobicContact CD1-CG1 3.92Å; L430-V442 HydrophobicContact CD1-CG2 4.1Å; L430-V442 HydrophobicContact CG-CG1 4.18Å; T438-V442 WeakPolarHBondContact O-CG2 3.45Å; T438-V442 PolarHBondContact O-N 2.96Å; F439-V442 PolarHBondContact O-N 2.68Å; V442-K444 VanDerWaalsContact C-N 3.3Å; V442-K444 PolarHBondContact O-N 2.88Å; V442-L445 PolarHBondContact O-N 2.98Å; V442-A446 PolarHBondContact O-N 2.87Å
443	R	92.3	Very high	82.4	Confident	158 Å²	158	94 Å²	94	60%	0.596	44%	0.438	S	S	*	.	H	α-helix	trans	-60.3	-35.9	179.3	-172.6	-178.3	-177.1	-167.3	4.8	113.2	F439 D440 M441 P447	F439-R443 VanDerWaalsContact O-CB 3.31Å; F439-R443 WeakPolarHBondContact O-CB 3.25Å; F439-R443 PolarHBondContact O-N 3.39Å; D440-R443 IonicContact OD1-NH1 3.75Å; M441-R443 PolarHBondContact O-N 3.47Å; R443-P447 WeakPolarHBondContact O-CB 3.31Å
444	K	93.4	Very high	80.1	Confident	176 Å²	176	92.6 Å²	92.6	77%	0.765	45%	0.447	S	S	*	.	H	α-helix	trans	-75.9	-35.2	178.3	-177.1	177.1	-178.4	178.1	0	112.8	D440 M441 V442	D440-K444 WeakPolarHBondContact O-CB 3.34Å; D440-K444 PolarHBondContact O-N 2.72Å; M441-K444 PolarHBondContact O-N 2.83Å; V442-K444 VanDerWaalsContact C-N 3.3Å; V442-K444 PolarHBondContact O-N 2.88Å
445	L	92.6	Very high	77.4	Confident	47 Å²	47	103.1 Å²	103.1	25%	0.246	49%	0.486	C	S	.	.	H	α-helix	trans	-85.9	-37.2	-177.8	-67.3	170.9	0	0	0	112.9	L412 I415 L416 Q425 M441 V442 P447	L412-L445 HydrophobicContact CD1-CD1 3.91Å; I415-L445 HydrophobicContact CG2-CB 3.62Å; I415-L445 HydrophobicContact CG2-CD1 4.16Å; L416-L445 HydrophobicContact CD2-CD1 3.89Å; Q425-L445 PolarHBondContact NE2-O 3.47Å; M441-L445 WeakPolarHBondContact O-CB 3.31Å; M441-L445 VanDerWaalsContact O-CG 3.26Å; M441-L445 WeakPolarHBondContact O-CG 3.23Å; M441-L445 PolarHBondContact O-N 3.23Å; V442-L445 PolarHBondContact O-N 2.98Å; L445-P447 WeakPolarHBondContact O-CD 3.26Å
446	A	91.9	Very high	74.9	Confident	2 Å²	2	111.5 Å²	111.5	2%	0.017	51%	0.513	C	S	.	.			trans	-122.3	56.2	-176.5	0	0	0	0	0	113.9	I415 I426 G427 V428 V442 G448	I415-A446 HydrophobicContact CD1-CB 4.03Å; I415-A446 HydrophobicContact CG1-CB 4.49Å; I415-A446 HydrophobicContact CG2-CB 4.45Å; I426-A446 HydrophobicContact CG1-CB 4.3Å; I426-A446 CarbonylContact O-C 3.59Å; I426-A446 VanDerWaalsContact O-C 3.27Å; I426-A446 WeakPolarHBondContact O-CA 3.39Å; G427-A446 WeakPolarHBondContact CA-O 3.32Å; V428-A446 HydrophobicContact CB-CB 3.83Å; V428-A446 HydrophobicContact CG2-CB 3.86Å; V428-A446 PolarHBondContact N-O 3.33Å; V442-A446 PolarHBondContact O-N 2.87Å; A446-G448 PolarHBondContact O-N 3.34Å; A446-G448 VanDerWaalsContact O-N 3.08Å
447	P	87.2	Confident	72.3	Confident	82 Å²	82	116 Å²	116	53%	0.532	53%	0.531	S	S	.	.	B	Isolated β-bridge	trans	-73.3	4.1	-173.6	33.6	-39.5	0	0	0	115.4	R443 L445	R443-P447 WeakPolarHBondContact O-CB 3.31Å; L445-P447 WeakPolarHBondContact O-CD 3.26Å
448	G	75.7	Confident	69.7	Low	16 Å²	16	120.5 Å²	120.5	17%	0.165	55%	0.545	C	S	.	.			trans	97.2	151.9	-176.8	0	0	0	0	0	114.3	I426 A446 K450	I426-G448 PolarHBondContact O-N 2.93Å; A446-G448 PolarHBondContact O-N 3.34Å; A446-G448 VanDerWaalsContact O-N 3.08Å; G448-K450 PolarHBondContact O-N 2.98Å
449	P	65.2	Low	67.2	Low	53 Å²	53	131.1 Å²	131.1	34%	0.344	58%	0.583	S	S	.	*			trans	-60.2	127.8	170.9	25.8	-33.1	0	0	0	109.6	K451	P449-K451 PolarHBondContact O-N 3.08Å
450	K	59.9	Low	64.6	Low	195 Å²	195	142.5 Å²	142.5	85%	0.848	63%	0.633	S	S	*	*			trans	-63	92.6	-178.5	-70.7	178.1	-179.1	172.3	0	110.6	G448 K452	G448-K450 PolarHBondContact O-N 2.98Å; K450-K452 PolarHBondContact O-N 3.4Å
451	K	55.5	Low	63.1	Low	176 Å²	176	146.3 Å²	146.3	77%	0.765	65%	0.647	S	S	*	*			trans	-48.1	114.4	175.7	-66.3	-173.6	179.3	-178.3	0	108.9	P449 K453	P449-K451 PolarHBondContact O-N 3.08Å; K451-K453 PolarHBondContact O-N 3.49Å
452	K	45.2	Very low	61.4	Low	196 Å²	196	149.3 Å²	149.3	85%	0.852	66%	0.658	S	S	*	*			trans	-56.2	112.4	-177.8	-76.4	178.6	179	170.9	0	108.3	K450 V454	K450-K452 PolarHBondContact O-N 3.4Å; K452-V454 VanDerWaalsContact C-N 3.33Å; K452-V454 PolarHBondContact O-N 2.91Å
453	K	38.8	Very low	59.6	Low	205 Å²	205	157.4 Å²	157.4	89%	0.891	69%	0.693	S	S	*	*			trans	-61.5	95.4	175.5	-75.5	-172.9	177.1	-178.6	0	108.8	K451 R455	K451-K453 PolarHBondContact O-N 3.49Å; K453-R455 PolarHBondContact O-N 2.91Å
454	V	41.5	Very low	57.7	Low	131 Å²	131	157.4 Å²	157.4	79%	0.794	70%	0.699	S	S	*	*			trans	-58.7	109.5	172	177.6	0	0	0	0	106.7	K452 R456	K452-V454 VanDerWaalsContact C-N 3.33Å; K452-V454 PolarHBondContact O-N 2.91Å; V454-R456 VanDerWaalsContact C-N 3.28Å; V454-R456 PolarHBondContact O-N 2.98Å
455	R	35.7	Very low	55.5	Low	237 Å²	237	156.2 Å²	156.2	89%	0.894	70%	0.695	S	S	*	*			trans	-62.8	93	172.9	-91.7	-179.4	154.5	-178.2	-6.7	107.8	K453 K457	K453-R455 PolarHBondContact O-N 2.91Å; R455-K457 VanDerWaalsContact C-N 3.28Å; R455-K457 PolarHBondContact O-N 3.23Å
456	R	39	Very low	53	Low	239 Å²	239	163.5 Å²	163.5	90%	0.902	72%	0.724	S	S	*	*			trans	-54.3	96.5	161.2	-93.8	-176.9	160.9	175.7	-5.7	107	V454 K458	V454-R456 VanDerWaalsContact C-N 3.28Å; V454-R456 PolarHBondContact O-N 2.98Å; R456-K458 PolarHBondContact O-N 3.37Å
457	K	39.9	Very low	50.2	Low	200 Å²	200	175 Å²	175	87%	0.87	78%	0.775	S	S	*	*			trans	-60.2	102.7	164.8	-82.1	-174.8	173.3	-178.5	0	106	R455 R459	R455-K457 VanDerWaalsContact C-N 3.28Å; R455-K457 PolarHBondContact O-N 3.23Å; K457-R459 VanDerWaalsContact C-N 3.34Å; K457-R459 PolarHBondContact O-N 3.28Å
458	K	39.3	Very low	47.4	Very low	202 Å²	202	182.2 Å²	182.2	88%	0.878	79%	0.794	S	S	*	*			trans	-59	104.1	160.5	-75.2	-171.7	175.2	-174.1	0	106.1	R456 K460	R456-K458 PolarHBondContact O-N 3.37Å; K458-K460 PolarHBondContact O-N 2.75Å
459	R	41.1	Very low	45	Very low	241 Å²	241	196 Å²	196	91%	0.909	85%	0.846	S	S	*	*			trans	-61.5	127.3	153.6	-87.6	-179.3	156.2	167.1	-7.6	105.8	K457	K457-R459 VanDerWaalsContact C-N 3.34Å; K457-R459 PolarHBondContact O-N 3.28Å
460	K	39.1	Very low	43.2	Very low	277 Å²	277	209 Å²	209	100%	1.204	89%	0.892	S	S	*	*			trans	-73.3	0	155.3	-72.4	-172.8	173.8	-173.2	0	107.9	K458	K458-K460 PolarHBondContact O-N 2.75Å

Retrieved 460 of 460 residues in 268.6 ms (Link to these results)

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