A0A3Q0KT26_SCHMA Loading...

Stress-activated protein kinase JNK AlphaSync

Responds to activation by environmental stress and pro-inflammatory cytokines by phosphorylating a number of transcription factors, and thus regulates transcriptional activity.

AlphaFold DB , UniProt , Accession A0A3Q0KT26, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 381 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

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	37.2	Very low	48.2	Very low	239 Å²	239	149.8 Å²	149.8	100%	1.177	75%	0.75	S	S	*	*				0	119.9	0	-113.6	172.3	-177.4	0	0	107.7	I3	M1-I3 PolarHBondContact O-N 3.25Å
2	Y	36.7	Very low	51.6	Low	238 Å²	238	139.5 Å²	139.5	93%	0.933	70%	0.701	S	S	*	*			trans	-63.6	101.3	177.9	-86.4	-96.5	0	0	0	109.4	N4	Y2-N4 PolarHBondContact O-N 3Å
3	I	42.1	Very low	54.5	Low	150 Å²	150	138.8 Å²	138.8	77%	0.769	71%	0.713	S	S	*	*			trans	-68.1	111.9	165.8	-64	174.6	0	0	0	105.9	M1 S5	M1-I3 PolarHBondContact O-N 3.25Å; I3-S5 PolarHBondContact O-N 3.18Å
4	N	37.8	Very low	57.2	Low	124 Å²	124	131.9 Å²	131.9	66%	0.663	69%	0.693	S	S	*	*			trans	-49	110.1	172.7	-97.9	-38	0	0	0	110	Y2 R6 M7	Y2-N4 PolarHBondContact O-N 3Å; N4-R6 PolarHBondContact O-N 2.9Å; N4-M7 PolarHBondContact O-N 3.45Å
5	S	37.8	Very low	59.8	Low	103 Å²	103	125.1 Å²	125.1	72%	0.72	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.5	0.2	-180	68.3	0	0	0	0	114.3	I3	I3-S5 PolarHBondContact O-N 3.18Å
6	R	37.4	Very low	62	Low	232 Å²	232	119.4 Å²	119.4	88%	0.875	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.4	-11.9	175.4	-74.8	-172.3	175.1	-171	-1	115.1	N4	N4-R6 PolarHBondContact O-N 2.9Å
7	M	45.3	Very low	64	Low	135 Å²	135	115.1 Å²	115.1	67%	0.665	60%	0.603	S	S	*	*	S	Bend	trans	-94.6	4.4	176	-68.5	-167.3	-172.4	0	0	114.2	N4 R24	N4-M7 PolarHBondContact O-N 3.45Å; M7-R24 PolarHBondContact O-NH1 3.27Å; M7-R24 PolarHBondContact O-NH2 3.21Å
8	A	46.8	Very low	65.7	Low	61 Å²	61	111.9 Å²	111.9	50%	0.504	59%	0.585	S	S	.	*	S	Bend	trans	-82.5	-10.2	-178.8	0	0	0	0	0	114
9	N	54	Low	67.1	Low	135 Å²	135	111.5 Å²	111.5	72%	0.722	59%	0.587	S	S	*	*	S	Bend	trans	-108.3	8.3	-160.6	-78	-1.9	0	0	0	118.1
10	N	71.1	Confident	68.2	Low	157 Å²	157	106.7 Å²	106.7	84%	0.84	56%	0.562	S	S	*	*			trans	-132.9	63.7	175.6	-86.4	-8.2	0	0	0	111.6	P12	N10-P12 WeakPolarHBondContact O-CD 3.5Å
11	I	84.5	Confident	68.9	Low	74 Å²	74	104.7 Å²	104.7	38%	0.379	57%	0.567	S	S	.	*	P	Polyproline II helix	trans	-83.6	120.3	167	-56.5	171.4	0	0	0	107	Y15 V17	I11-Y15 VanDerWaalsContact CG2-O 3.25Å; I11-Y15 WeakPolarHBondContact CG2-O 3.18Å; I11-V17 HydrophobicContact CD1-CB 4.28Å; I11-V17 HydrophobicContact CD1-CG2 3.49Å; I11-V17 VanDerWaalsContact CD1-CG2 3.49Å; I11-V17 HydrophobicContact CG1-CG2 3.62Å; I11-V17 HydrophobicContact CG2-CG2 4.38Å
12	P	88.5	Confident	71	Confident	26 Å²	26	101.2 Å²	101.2	17%	0.169	55%	0.554	C	S	.	*	P	Polyproline II helix	trans	-60	149.4	177.8	-17.8	27.6	0	0	0	111.6	N10 G14 Y15 P99	N10-P12 WeakPolarHBondContact O-CD 3.5Å; P12-G14 PolarHBondContact O-N 3.21Å; P12-Y15 HydrophobicContact CB-CD2 3.92Å; P12-Y15 HydrophobicContact CB-CE2 4.48Å; P12-Y15 HydrophobicContact CB-CG 4.49Å; P12-Y15 HydrophobicContact CG-CD2 4.39Å; P12-Y15 WeakPolarHBondContact O-CB 3.49Å; P12-Y15 PolarHBondContact O-N 3.3Å; P12-Y15 VanDerWaalsContact O-N 3.15Å; P12-P99 HydrophobicContact CG-CB 4.08Å; P12-P99 WeakPolarHBondContact CG-O 3.14Å
13	P	89.5	Confident	73.5	Confident	131 Å²	131	90.2 Å²	90.2	85%	0.851	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	136.1	171.8	-24.8	34	0	0	0	111.5	Y15	P13-Y15 VanDerWaalsContact C-N 3.35Å
14	G	92.3	Very high	75.9	Confident	42 Å²	42	87.1 Å²	87.1	43%	0.433	49%	0.491	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.6	-2.5	-179	0	0	0	0	0	115.4	P12 P28 F29	P12-G14 PolarHBondContact O-N 3.21Å; G14-P28 CarbonylContact O-C 3.03Å; G14-P28 VanDerWaalsContact O-CA 3.3Å; G14-P28 WeakPolarHBondContact O-CA 3.43Å; G14-F29 VanDerWaalsContact O-CD2 3.22Å; G14-F29 WeakPolarHBondContact O-CD2 3.18Å; G14-F29 PolarHBondContact O-N 3.46Å
15	Y	96.4	Very high	78.7	Confident	29 Å²	29	81.3 Å²	81.3	11%	0.114	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	156.4	177.7	-71.2	-106.6	0	0	0	112	I11 P12 P13 V26 V27 P28 F29 F97 T98 P99	I11-Y15 VanDerWaalsContact CG2-O 3.25Å; I11-Y15 WeakPolarHBondContact CG2-O 3.18Å; P12-Y15 HydrophobicContact CB-CD2 3.92Å; P12-Y15 HydrophobicContact CB-CE2 4.48Å; P12-Y15 HydrophobicContact CB-CG 4.49Å; P12-Y15 HydrophobicContact CG-CD2 4.39Å; P12-Y15 WeakPolarHBondContact O-CB 3.49Å; P12-Y15 PolarHBondContact O-N 3.3Å; P12-Y15 VanDerWaalsContact O-N 3.15Å; P13-Y15 VanDerWaalsContact C-N 3.35Å; Y15-V26 HydrophobicContact CD1-CG1 4.11Å; Y15-V26 HydrophobicContact CG-CG1 4.46Å; Y15-V27 WeakPolarHBondContact CA-O 3.37Å; Y15-P28 HydrophobicContact CD1-CG 4.23Å; Y15-P28 VanDerWaalsContact CE1-CD 3.48Å; Y15-P28 HydrophobicContact CE1-CG 3.7Å; Y15-F29 WeakPolarHBondContact O-CZ 3.31Å; Y15-F97 AromaticContact CE1-CD2 3.97Å; Y15-F97 HydrophobicContact CE1-CD2 3.97Å; Y15-F97 HydrophobicContact CE1-CE2 4.24Å; Y15-T98 PolarHBondContact OH-O 2.88Å; Y15-T98 VanDerWaalsContact OH-O 3.14Å; Y15-P99 HydrophobicContact CD1-CB 3.89Å; Y15-P99 HydrophobicContact CE1-CB 3.78Å
16	H	95.5	Very high	81.5	Confident	34 Å²	34	77.1 Å²	77.1	16%	0.157	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	168.4	166.5	67.7	-48.7	0	0	0	109.8	E18 V26 V27 F29 Y31	H16-E18 IonicContact CD2-OE1 2.91Å; H16-E18 IonicContact NE2-OE1 3.91Å; H16-E18 PolarHBondContact NE2-OE1 2.8Å; H16-V26 WeakPolarHBondContact O-CA 2.95Å; H16-V27 WeakPolarHBondContact CE1-CG2 3.48Å; H16-V27 PolarHBondContact N-O 3.42Å; H16-V27 PolarHBondContact ND1-O 3.08Å; H16-V27 PolarHBondContact O-N 3.27Å; H16-F29 HydrophobicContact CB-CD1 4.02Å; H16-F29 HydrophobicContact CB-CE1 3.64Å; H16-F29 HydrophobicContact CB-CZ 4.24Å; H16-Y31 PolarHBondContact CE1-O 3.11Å; H16-Y31 PolarHBondContact NE2-O 3.4Å
17	V	95.3	Very high	84.3	Confident	46 Å²	46	66.1 Å²	66.1	28%	0.279	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	127	-178.8	-179.8	0	0	0	0	109.3	I11 R24 F25 V26	I11-V17 HydrophobicContact CD1-CB 4.28Å; I11-V17 HydrophobicContact CD1-CG2 3.49Å; I11-V17 VanDerWaalsContact CD1-CG2 3.49Å; I11-V17 HydrophobicContact CG1-CG2 3.62Å; I11-V17 HydrophobicContact CG2-CG2 4.38Å; V17-R24 HydrophobicContact CG1-CG 3.77Å; V17-F25 VanDerWaalsContact CA-O 3.29Å; V17-F25 WeakPolarHBondContact CA-O 2.94Å; V17-V26 HydrophobicContact CG2-CG1 4.22Å; V17-V26 HydrophobicContact CG2-CG2 4.08Å
18	E	93.9	Very high	86.8	Confident	58 Å²	58	60.7 Å²	60.7	27%	0.271	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	141.8	168	-65.8	-167.7	-173.6	0	0	109.1	H16 F25 L34	H16-E18 IonicContact CD2-OE1 2.91Å; H16-E18 IonicContact NE2-OE1 3.91Å; H16-E18 PolarHBondContact NE2-OE1 2.8Å; E18-F25 PolarHBondContact N-O 2.79Å; E18-F25 PolarHBondContact O-N 3.19Å; E18-L34 HydrophobicContact CB-CD2 4.3Å; E18-L34 WeakPolarHBondContact OE2-CB 3.1Å; E18-L34 PolarHBondContact OE2-N 2.98Å
19	V	92.8	Very high	89.1	Confident	104 Å²	104	64.3 Å²	64.3	63%	0.63	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.5	119.2	175.2	179.2	0	0	0	0	107.3
20	V	88.6	Confident	91.1	Very high	15 Å²	15	58.9 Å²	58.9	9%	0.091	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	108.2	-177.5	-174.4	0	0	0	0	108.1	D22 A23 F25 L34 P36 V46	V20-D22 PolarHBondContact O-N 2.94Å; V20-A23 PolarHBondContact N-O 2.76Å; V20-A23 PolarHBondContact O-N 2.99Å; V20-A23 VanDerWaalsContact O-N 3.1Å; V20-F25 HydrophobicContact CB-CD2 4.31Å; V20-F25 HydrophobicContact CB-CE2 4.38Å; V20-F25 HydrophobicContact CG2-CD2 4.35Å; V20-L34 HydrophobicContact CG2-CB 3.92Å; V20-P36 HydrophobicContact CG1-CB 3.68Å; V20-P36 VanDerWaalsContact CG1-CD 3.48Å; V20-P36 HydrophobicContact CG1-CG 3.79Å; V20-V46 HydrophobicContact CB-CG1 4.23Å; V20-V46 HydrophobicContact CG1-CG1 3.97Å; V20-V46 HydrophobicContact CG2-CG1 4.34Å
21	G	83.2	Confident	92.4	Very high	65 Å²	65	51.4 Å²	51.4	67%	0.67	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.2	-126.1	-168.6	0	0	0	0	0	111	A23	G21-A23 VanDerWaalsContact C-N 3.35Å
22	D	82.2	Confident	93	Very high	166 Å²	166	49.5 Å²	49.5	89%	0.888	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	1.3	178.4	-64	-36.4	0	0	0	113.7	V20	V20-D22 PolarHBondContact O-N 2.94Å
23	A	87.7	Confident	93.4	Very high	8 Å²	8	53.6 Å²	53.6	7%	0.066	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	128.9	-173.7	0	0	0	0	0	112.3	V20 G21 F25 F44	V20-A23 PolarHBondContact N-O 2.76Å; V20-A23 PolarHBondContact O-N 2.99Å; V20-A23 VanDerWaalsContact O-N 3.1Å; G21-A23 VanDerWaalsContact C-N 3.35Å; A23-F25 HydrophobicContact CB-CD2 4.13Å; A23-F25 HydrophobicContact CB-CE2 3.61Å; A23-F44 HydrophobicContact CB-CB 4.09Å; A23-F44 HydrophobicContact CB-CD1 3.82Å; A23-F44 HydrophobicContact CB-CD2 3.96Å; A23-F44 HydrophobicContact CB-CE1 4.21Å; A23-F44 HydrophobicContact CB-CE2 4.35Å; A23-F44 HydrophobicContact CB-CG 3.68Å; A23-F44 HydrophobicContact CB-CZ 4.46Å
24	R	93.5	Very high	93.7	Very high	85 Å²	85	48.1 Å²	48.1	32%	0.321	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	117.8	169.7	-177.9	176.2	170.4	162.5	-4.9	110.3	M7 V17 V26 K61	M7-R24 PolarHBondContact O-NH1 3.27Å; M7-R24 PolarHBondContact O-NH2 3.21Å; V17-R24 HydrophobicContact CG1-CG 3.77Å; R24-V26 HydrophobicContact CG-CG2 4.43Å; R24-K61 PolarHBondContact O-NZ 3.12Å
25	F	95.9	Very high	93.8	Very high	1 Å²	1	52.8 Å²	52.8	0%	0.004	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	125.6	174.6	-78.5	-100.2	0	0	0	109.4	V17 E18 V20 A23 V27 L34 F44 V46 K61 Y110	V17-F25 VanDerWaalsContact CA-O 3.29Å; V17-F25 WeakPolarHBondContact CA-O 2.94Å; E18-F25 PolarHBondContact N-O 2.79Å; E18-F25 PolarHBondContact O-N 3.19Å; V20-F25 HydrophobicContact CB-CD2 4.31Å; V20-F25 HydrophobicContact CB-CE2 4.38Å; V20-F25 HydrophobicContact CG2-CD2 4.35Å; A23-F25 HydrophobicContact CB-CD2 4.13Å; A23-F25 HydrophobicContact CB-CE2 3.61Å; F25-V27 HydrophobicContact CB-CG1 4.05Å; F25-V27 HydrophobicContact CD1-CG1 4.16Å; F25-L34 HydrophobicContact CB-CD2 3.74Å; F25-L34 HydrophobicContact CD1-CD2 4.1Å; F25-L34 HydrophobicContact CG-CD2 3.95Å; F25-F44 HydrophobicContact CE2-CB 4.22Å; F25-F44 HydrophobicContact CZ-CB 3.87Å; F25-V46 HydrophobicContact CD1-CG2 4.07Å; F25-V46 HydrophobicContact CD2-CG1 4.4Å; F25-V46 HydrophobicContact CE1-CG1 4.05Å; F25-V46 HydrophobicContact CE1-CG2 3.66Å; F25-V46 HydrophobicContact CE2-CG1 3.72Å; F25-V46 HydrophobicContact CZ-CB 4.42Å; F25-V46 HydrophobicContact CZ-CG1 3.53Å; F25-V46 HydrophobicContact CZ-CG2 4.04Å; F25-K61 HydrophobicContact CD1-CB 4.49Å; F25-K61 HydrophobicContact CE1-CB 3.75Å; F25-K61 HydrophobicContact CZ-CB 4Å; F25-Y110 HydrophobicContact CD1-CD1 4.25Å; F25-Y110 AromaticContact CD1-CE1 3.64Å; F25-Y110 HydrophobicContact CD1-CE1 3.64Å; F25-Y110 HydrophobicContact CE1-CD1 4.46Å; F25-Y110 HydrophobicContact CE1-CE1 4.09Å; F25-Y110 HydrophobicContact CG-CE1 4.43Å
26	V	96.7	Very high	93.7	Very high	16 Å²	16	55.9 Å²	55.9	10%	0.097	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	99	171.4	-171	0	0	0	0	106.1	Y15 H16 V17 R24 P99 Y110	Y15-V26 HydrophobicContact CD1-CG1 4.11Å; Y15-V26 HydrophobicContact CG-CG1 4.46Å; H16-V26 WeakPolarHBondContact O-CA 2.95Å; V17-V26 HydrophobicContact CG2-CG1 4.22Å; V17-V26 HydrophobicContact CG2-CG2 4.08Å; R24-V26 HydrophobicContact CG-CG2 4.43Å; V26-P99 HydrophobicContact CB-CB 4.12Å; V26-P99 HydrophobicContact CB-CG 4.08Å; V26-P99 HydrophobicContact CG1-CB 3.73Å; V26-P99 HydrophobicContact CG1-CG 4.25Å; V26-Y110 PolarHBondContact N-OH 2.92Å; V26-Y110 VanDerWaalsContact N-OH 3.16Å
27	V	96.9	Very high	93.4	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	152.2	-167.9	-53.8	0	0	0	0	111.3	Y15 H16 F25 L34 F97 Y110	Y15-V27 WeakPolarHBondContact CA-O 3.37Å; H16-V27 WeakPolarHBondContact CE1-CG2 3.48Å; H16-V27 PolarHBondContact N-O 3.42Å; H16-V27 PolarHBondContact ND1-O 3.08Å; H16-V27 PolarHBondContact O-N 3.27Å; F25-V27 HydrophobicContact CB-CG1 4.05Å; F25-V27 HydrophobicContact CD1-CG1 4.16Å; V27-L34 HydrophobicContact CG1-CD2 4.46Å; V27-L34 HydrophobicContact CG2-CD1 4.37Å; V27-L34 HydrophobicContact CG2-CD2 4.17Å; V27-F97 HydrophobicContact CB-CE2 4.12Å; V27-F97 HydrophobicContact CB-CZ 3.87Å; V27-F97 HydrophobicContact CG1-CE2 4.05Å; V27-F97 HydrophobicContact CG1-CZ 3.76Å; V27-Y110 HydrophobicContact CG1-CD1 4.28Å; V27-Y110 HydrophobicContact CG1-CE1 4.09Å
28	P	96.8	Very high	92.8	Very high	21 Å²	21	57.9 Å²	57.9	14%	0.136	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	149.2	177.4	-23.8	31.2	0	0	0	112.3	G14 Y15 R30 Y31 F97	G14-P28 CarbonylContact O-C 3.03Å; G14-P28 VanDerWaalsContact O-CA 3.3Å; G14-P28 WeakPolarHBondContact O-CA 3.43Å; Y15-P28 HydrophobicContact CD1-CG 4.23Å; Y15-P28 VanDerWaalsContact CE1-CD 3.48Å; Y15-P28 HydrophobicContact CE1-CG 3.7Å; P28-R30 HydrophobicContact CB-CG 4.21Å; P28-R30 PolarHBondContact O-N 3.36Å; P28-Y31 HydrophobicContact CB-CD2 4.4Å; P28-Y31 HydrophobicContact CG-CD2 4.34Å; P28-Y31 HydrophobicContact CG-CE2 4.29Å; P28-Y31 PolarHBondContact O-N 2.87Å; P28-F97 HydrophobicContact CG-CD2 4.16Å; P28-F97 HydrophobicContact CG-CE2 4.3Å; P28-F97 HydrophobicContact CG-CG 4.3Å
29	F	96.2	Very high	92.2	Very high	137 Å²	137	59.5 Å²	59.5	60%	0.601	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-16.4	178.4	-75.3	-67.2	0	0	0	114.7	G14 Y15 H16 Y31	G14-F29 VanDerWaalsContact O-CD2 3.22Å; G14-F29 WeakPolarHBondContact O-CD2 3.18Å; G14-F29 PolarHBondContact O-N 3.46Å; Y15-F29 WeakPolarHBondContact O-CZ 3.31Å; H16-F29 HydrophobicContact CB-CD1 4.02Å; H16-F29 HydrophobicContact CB-CE1 3.64Å; H16-F29 HydrophobicContact CB-CZ 4.24Å; F29-Y31 PolarHBondContact O-N 3.43Å
30	R	96.6	Very high	91.2	Very high	21 Å²	21	56.8 Å²	56.8	8%	0.079	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-28.7	176	77	-176.6	-76.2	-163.2	12.2	112.6	P28 D50 S51 V52 N95 R377	P28-R30 HydrophobicContact CB-CG 4.21Å; P28-R30 PolarHBondContact O-N 3.36Å; R30-D50 IonicContact CZ-OD1 2.91Å; R30-D50 VanDerWaalsContact CZ-OD1 3.31Å; R30-D50 IonicContact CZ-OD2 3.84Å; R30-D50 IonicContact NE-OD1 3.83Å; R30-D50 PolarHBondContact NE-OD1 3.41Å; R30-D50 IonicContact NE-OD2 3.67Å; R30-D50 PolarHBondContact NE-OD2 3.19Å; R30-D50 IonicContact NH1-OD2 3.97Å; R30-D50 IonicContact NH2-OD1 3.43Å; R30-D50 PolarHBondContact NH2-OD1 3.42Å; R30-D50 IonicContact NH2-OD2 2.9Å; R30-D50 PolarHBondContact NH2-OD2 2.75Å; R30-S51 VanDerWaalsContact CA-OG 3.28Å; R30-S51 WeakPolarHBondContact CA-OG 3.45Å; R30-S51 WeakPolarHBondContact O-CB 3.42Å; R30-S51 PolarHBondContact O-N 3.42Å; R30-S51 PolarHBondContact O-OG 2.82Å; R30-V52 HydrophobicContact CB-CG2 4.02Å; R30-N95 PolarHBondContact NH1-ND2 3.02Å; R30-R377 VanDerWaalsContact CZ-NH2 3.3Å
31	Y	97.9	Very high	90.4	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	128.8	-179.5	-58.3	-62.2	0	0	0	109.3	H16 P28 F29 Y49 D50 V57 I59 N95 F97 V112	H16-Y31 PolarHBondContact CE1-O 3.11Å; H16-Y31 PolarHBondContact NE2-O 3.4Å; P28-Y31 HydrophobicContact CB-CD2 4.4Å; P28-Y31 HydrophobicContact CG-CD2 4.34Å; P28-Y31 HydrophobicContact CG-CE2 4.29Å; P28-Y31 PolarHBondContact O-N 2.87Å; F29-Y31 PolarHBondContact O-N 3.43Å; Y31-Y49 VanDerWaalsContact CA-O 3.3Å; Y31-Y49 WeakPolarHBondContact CA-O 3.28Å; Y31-D50 HydrophobicContact CD1-CB 4.05Å; Y31-D50 HydrophobicContact CE1-CB 3.86Å; Y31-D50 WeakPolarHBondContact CE1-OD2 3.34Å; Y31-V57 HydrophobicContact CD1-CG2 3.95Å; Y31-V57 HydrophobicContact CE1-CG2 4Å; Y31-I59 HydrophobicContact CD1-CD1 3.85Å; Y31-I59 HydrophobicContact CD2-CD1 4.03Å; Y31-I59 HydrophobicContact CE1-CD1 4.46Å; Y31-I59 HydrophobicContact CG-CD1 3.62Å; Y31-N95 WeakPolarHBondContact OH-CB 3.46Å; Y31-N95 PolarHBondContact OH-ND2 2.78Å; Y31-F97 HydrophobicContact CD2-CE1 4.07Å; Y31-F97 HydrophobicContact CD2-CZ 4.35Å; Y31-F97 HydrophobicContact CE2-CD1 4.08Å; Y31-F97 AromaticContact CE2-CE1 3.58Å; Y31-F97 HydrophobicContact CE2-CE1 3.58Å; Y31-F97 HydrophobicContact CE2-CZ 4.29Å; Y31-V112 HydrophobicContact CE1-CG1 3.94Å; Y31-V112 HydrophobicContact CE1-CG2 4.38Å; Y31-V112 HydrophobicContact CE2-CG2 4.2Å
32	S	96.9	Very high	90.1	Very high	35 Å²	35	59.3 Å²	59.3	25%	0.245	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	171	-179.6	61.8	0	0	0	0	111.7	A48 Y49	S32-A48 WeakPolarHBondContact O-CA 3.34Å; S32-Y49 PolarHBondContact N-O 3.13Å; S32-Y49 PolarHBondContact O-N 3.4Å
33	N	95.7	Very high	90.3	Very high	111 Å²	111	51.6 Å²	51.6	59%	0.594	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	59.4	47.2	177.3	-56.1	-36.6	0	0	0	113.2	K35	N33-K35 PolarHBondContact O-N 3.1Å
34	L	96.9	Very high	90.4	Very high	16 Å²	16	54.8 Å²	54.8	8%	0.084	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	126.9	-175.2	-77.7	57.1	0	0	0	110.7	E18 V20 F25 V27 V46 A47 A48	E18-L34 HydrophobicContact CB-CD2 4.3Å; E18-L34 WeakPolarHBondContact OE2-CB 3.1Å; E18-L34 PolarHBondContact OE2-N 2.98Å; V20-L34 HydrophobicContact CG2-CB 3.92Å; F25-L34 HydrophobicContact CB-CD2 3.74Å; F25-L34 HydrophobicContact CD1-CD2 4.1Å; F25-L34 HydrophobicContact CG-CD2 3.95Å; V27-L34 HydrophobicContact CG1-CD2 4.46Å; V27-L34 HydrophobicContact CG2-CD1 4.37Å; V27-L34 HydrophobicContact CG2-CD2 4.17Å; L34-V46 HydrophobicContact CB-CB 4.35Å; L34-V46 HydrophobicContact CB-CG2 4.27Å; L34-V46 HydrophobicContact CD2-CG2 4.01Å; L34-V46 HydrophobicContact CG-CG2 3.89Å; L34-A47 CarbonylContact C-O 3.57Å; L34-A47 VanDerWaalsContact CA-O 3.26Å; L34-A47 WeakPolarHBondContact CA-O 3.33Å; L34-A48 HydrophobicContact CD1-CB 3.9Å; L34-A48 HydrophobicContact CG-CB 4.19Å
35	K	95	Very high	90.3	Very high	141 Å²	141	52.2 Å²	52.2	61%	0.613	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.5	133.6	177.1	-67.3	175.2	-174.2	173.3	0	110.2	N33 I37 V46 A47	N33-K35 PolarHBondContact O-N 3.1Å; K35-I37 PolarHBondContact O-N 3.06Å; K35-V46 CarbonylContact O-C 3.55Å; K35-V46 WeakPolarHBondContact O-CA 3.46Å; K35-V46 WeakPolarHBondContact O-CB 3.39Å; K35-A47 HydrophobicContact CB-CB 4.49Å; K35-A47 PolarHBondContact N-O 3.16Å; K35-A47 PolarHBondContact O-N 3.38Å
36	P	93.4	Very high	90.3	Very high	94 Å²	94	52.2 Å²	52.2	61%	0.61	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.2	131.3	179.2	26.4	-28.2	0	0	0	110.6	V20	V20-P36 HydrophobicContact CG1-CB 3.68Å; V20-P36 VanDerWaalsContact CG1-CD 3.48Å; V20-P36 HydrophobicContact CG1-CG 3.79Å
37	I	89.5	Confident	90.3	Very high	87 Å²	87	52.2 Å²	52.2	45%	0.446	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	-21.9	173.5	63.2	175.2	0	0	0	113.1	K35 V45 A47 A58 F115	K35-I37 PolarHBondContact O-N 3.06Å; I37-V45 HydrophobicContact CD1-CB 4.5Å; I37-V45 HydrophobicContact CD1-CG1 3.69Å; I37-V45 HydrophobicContact CG1-CB 3.95Å; I37-V45 HydrophobicContact CG1-CG1 3.67Å; I37-V45 WeakPolarHBondContact CG1-O 3.25Å; I37-V45 PolarHBondContact N-O 3.32Å; I37-A47 HydrophobicContact CG2-CB 3.78Å; I37-A58 HydrophobicContact CD1-CB 4.08Å; I37-F115 HydrophobicContact CD1-CE2 4.22Å; I37-F115 HydrophobicContact CG2-CE2 4.41Å
38	G	82.7	Confident	90.4	Very high	34 Å²	34	52.3 Å²	52.3	35%	0.351	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.9	153.1	177.4	0	0	0	0	0	113	V45	G38-V45 PolarHBondContact N-O 3.15Å; G38-V45 VanDerWaalsContact N-O 3.15Å; G38-V45 PolarHBondContact O-N 3.24Å
39	S	80.3	Confident	90.5	Very high	92 Å²	92	55.1 Å²	55.1	64%	0.643	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-146.2	147.4	170.8	65.6	0	0	0	0	109.6	F44	S39-F44 VanDerWaalsContact CB-CD1 3.5Å; S39-F44 VanDerWaalsContact CB-CE1 3.49Å
40	G	72.5	Confident	90.5	Very high	48 Å²	48	48.6 Å²	48.6	50%	0.495	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-172.1	-173.5	179	0	0	0	0	0	112.4	Q42 G43	G40-Q42 PolarHBondContact O-N 3.2Å; G40-G43 PolarHBondContact N-O 3.38Å; G40-G43 PolarHBondContact O-N 2.9Å; G40-G43 VanDerWaalsContact O-N 3.11Å
41	A	72.9	Confident	90.6	Very high	86 Å²	86	49.5 Å²	49.5	71%	0.711	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-20.6	-177.8	0	0	0	0	0	114
42	Q	76.6	Confident	90.4	Very high	47 Å²	47	52.7 Å²	52.7	22%	0.22	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-16.1	-176.9	-57.5	174.3	20.2	0	0	113.6	G40 A63 D174	G40-Q42 PolarHBondContact O-N 3.2Å; Q42-A63 PolarHBondContact O-N 3.11Å; Q42-D174 VanDerWaalsContact CD-OD2 3.3Å; Q42-D174 PolarHBondContact NE2-OD2 2.93Å; Q42-D174 PolarHBondContact OE1-OD1 3.03Å; Q42-D174 VanDerWaalsContact OE1-OD1 3.11Å; Q42-D174 PolarHBondContact OE1-OD2 2.8Å
43	G	84.6	Confident	90.3	Very high	4 Å²	4	54.6 Å²	54.6	4%	0.041	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	155.4	-178.5	-171.2	0	0	0	0	0	114.9	G40 K61	G40-G43 PolarHBondContact N-O 3.38Å; G40-G43 PolarHBondContact O-N 2.9Å; G40-G43 VanDerWaalsContact O-N 3.11Å; G43-K61 CarbonylContact C-O 3.6Å; G43-K61 WeakPolarHBondContact CA-O 3.49Å
44	F	90.2	Very high	90.3	Very high	75 Å²	75	56.1 Å²	56.1	33%	0.329	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	135	172.2	-76.9	-95.5	0	0	0	109	A23 F25 S39 K60 K61	A23-F44 HydrophobicContact CB-CB 4.09Å; A23-F44 HydrophobicContact CB-CD1 3.82Å; A23-F44 HydrophobicContact CB-CD2 3.96Å; A23-F44 HydrophobicContact CB-CE1 4.21Å; A23-F44 HydrophobicContact CB-CE2 4.35Å; A23-F44 HydrophobicContact CB-CG 3.68Å; A23-F44 HydrophobicContact CB-CZ 4.46Å; F25-F44 HydrophobicContact CE2-CB 4.22Å; F25-F44 HydrophobicContact CZ-CB 3.87Å; S39-F44 VanDerWaalsContact CB-CD1 3.5Å; S39-F44 VanDerWaalsContact CB-CE1 3.49Å; F44-K60 CarbonylContact O-C 3.55Å; F44-K60 WeakPolarHBondContact O-CA 3.08Å; F44-K61 PolarHBondContact N-O 3.06Å; F44-K61 PolarHBondContact O-N 3.39Å
45	V	93	Very high	90.3	Very high	30 Å²	30	59.1 Å²	59.1	18%	0.182	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	129.3	180	-165.4	0	0	0	0	109.2	I37 G38 A58 I59 K60	I37-V45 HydrophobicContact CD1-CB 4.5Å; I37-V45 HydrophobicContact CD1-CG1 3.69Å; I37-V45 HydrophobicContact CG1-CB 3.95Å; I37-V45 HydrophobicContact CG1-CG1 3.67Å; I37-V45 WeakPolarHBondContact CG1-O 3.25Å; I37-V45 PolarHBondContact N-O 3.32Å; G38-V45 PolarHBondContact N-O 3.15Å; G38-V45 VanDerWaalsContact N-O 3.15Å; G38-V45 PolarHBondContact O-N 3.24Å; V45-A58 HydrophobicContact CG1-CB 4.27Å; V45-I59 WeakPolarHBondContact CA-O 3.38Å; V45-K60 HydrophobicContact CG2-CB 4.18Å; V45-K60 HydrophobicContact CG2-CG 4.06Å
46	V	96	Very high	90.4	Very high	2 Å²	2	56.9 Å²	56.9	1%	0.012	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	143.9	174.9	-62.1	0	0	0	0	110.3	V20 F25 L34 K35 A58 I59	V20-V46 HydrophobicContact CB-CG1 4.23Å; V20-V46 HydrophobicContact CG1-CG1 3.97Å; V20-V46 HydrophobicContact CG2-CG1 4.34Å; F25-V46 HydrophobicContact CD1-CG2 4.07Å; F25-V46 HydrophobicContact CD2-CG1 4.4Å; F25-V46 HydrophobicContact CE1-CG1 4.05Å; F25-V46 HydrophobicContact CE1-CG2 3.66Å; F25-V46 HydrophobicContact CE2-CG1 3.72Å; F25-V46 HydrophobicContact CZ-CB 4.42Å; F25-V46 HydrophobicContact CZ-CG1 3.53Å; F25-V46 HydrophobicContact CZ-CG2 4.04Å; L34-V46 HydrophobicContact CB-CB 4.35Å; L34-V46 HydrophobicContact CB-CG2 4.27Å; L34-V46 HydrophobicContact CD2-CG2 4.01Å; L34-V46 HydrophobicContact CG-CG2 3.89Å; K35-V46 CarbonylContact O-C 3.55Å; K35-V46 WeakPolarHBondContact O-CA 3.46Å; K35-V46 WeakPolarHBondContact O-CB 3.39Å; V46-A58 CarbonylContact O-C 3.56Å; V46-A58 WeakPolarHBondContact O-CA 3.5Å; V46-I59 HydrophobicContact CG2-CB 3.89Å; V46-I59 PolarHBondContact N-O 2.97Å; V46-I59 PolarHBondContact O-N 3.49Å
47	A	96.7	Very high	90.6	Very high	15 Å²	15	52.4 Å²	52.4	12%	0.124	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	144.8	159.5	0	0	0	0	0	108.8	L34 K35 I37 V57 F115	L34-A47 CarbonylContact C-O 3.57Å; L34-A47 VanDerWaalsContact CA-O 3.26Å; L34-A47 WeakPolarHBondContact CA-O 3.33Å; K35-A47 HydrophobicContact CB-CB 4.49Å; K35-A47 PolarHBondContact N-O 3.16Å; K35-A47 PolarHBondContact O-N 3.38Å; I37-A47 HydrophobicContact CG2-CB 3.78Å; A47-V57 CarbonylContact C-O 3.22Å; A47-V57 WeakPolarHBondContact CA-O 3.24Å; A47-F115 HydrophobicContact CB-CD2 3.97Å; A47-F115 HydrophobicContact CB-CE2 3.58Å; A47-F115 HydrophobicContact CB-CZ 4.45Å
48	A	98.1	Very high	91	Very high	3 Å²	3	48.6 Å²	48.6	3%	0.025	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	159.1	173.3	0	0	0	0	0	109.8	S32 L34 D56 V57 I59	S32-A48 WeakPolarHBondContact O-CA 3.34Å; L34-A48 HydrophobicContact CD1-CB 3.9Å; L34-A48 HydrophobicContact CG-CB 4.19Å; A48-D56 WeakPolarHBondContact O-CA 3.44Å; A48-V57 HydrophobicContact CB-CG2 4.24Å; A48-V57 PolarHBondContact N-O 2.9Å; A48-V57 WeakPolarHBondContact O-CG2 3.35Å; A48-V57 PolarHBondContact O-N 3.38Å; A48-I59 HydrophobicContact CB-CD1 3.69Å; A48-I59 HydrophobicContact CB-CG1 4.22Å
49	Y	98.2	Very high	91.7	Very high	79 Å²	79	47 Å²	47	31%	0.31	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	126	170.2	-176.7	-103.4	0	0	0	110	Y31 S32 K54	Y31-Y49 VanDerWaalsContact CA-O 3.3Å; Y31-Y49 WeakPolarHBondContact CA-O 3.28Å; S32-Y49 PolarHBondContact N-O 3.13Å; S32-Y49 PolarHBondContact O-N 3.4Å; Y49-K54 WeakPolarHBondContact OH-CA 3.45Å
50	D	97.9	Very high	92.3	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	103.6	172.9	-172.4	-22.7	0	0	0	110.1	R30 Y31 V52 L53 K54 Q55 V57	R30-D50 IonicContact CZ-OD1 2.91Å; R30-D50 VanDerWaalsContact CZ-OD1 3.31Å; R30-D50 IonicContact CZ-OD2 3.84Å; R30-D50 IonicContact NE-OD1 3.83Å; R30-D50 PolarHBondContact NE-OD1 3.41Å; R30-D50 IonicContact NE-OD2 3.67Å; R30-D50 PolarHBondContact NE-OD2 3.19Å; R30-D50 IonicContact NH1-OD2 3.97Å; R30-D50 IonicContact NH2-OD1 3.43Å; R30-D50 PolarHBondContact NH2-OD1 3.42Å; R30-D50 IonicContact NH2-OD2 2.9Å; R30-D50 PolarHBondContact NH2-OD2 2.75Å; Y31-D50 HydrophobicContact CD1-CB 4.05Å; Y31-D50 HydrophobicContact CE1-CB 3.86Å; Y31-D50 WeakPolarHBondContact CE1-OD2 3.34Å; D50-V52 PolarHBondContact O-N 3.46Å; D50-V52 WeakPolarHBondContact OD1-CB 3.33Å; D50-V52 PolarHBondContact OD1-N 2.88Å; D50-L53 HydrophobicContact CB-CB 4.21Å; D50-L53 PolarHBondContact O-N 3.26Å; D50-L53 PolarHBondContact OD1-N 2.94Å; D50-L53 WeakPolarHBondContact OD2-CD1 3.05Å; D50-L53 WeakPolarHBondContact OD2-CG 3.44Å; D50-K54 WeakPolarHBondContact O-CA 3.4Å; D50-K54 PolarHBondContact O-N 3.43Å; D50-Q55 PolarHBondContact N-O 2.93Å; D50-Q55 PolarHBondContact O-N 3.37Å; D50-V57 HydrophobicContact CB-CG1 3.84Å; D50-V57 HydrophobicContact CB-CG2 4.14Å
51	S	97	Very high	93.4	Very high	41 Å²	41	42.7 Å²	42.7	29%	0.287	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-12	-177.6	59	0	0	0	0	114.8	R30 K54	R30-S51 VanDerWaalsContact CA-OG 3.28Å; R30-S51 WeakPolarHBondContact CA-OG 3.45Å; R30-S51 WeakPolarHBondContact O-CB 3.42Å; R30-S51 PolarHBondContact O-N 3.42Å; R30-S51 PolarHBondContact O-OG 2.82Å; S51-K54 WeakPolarHBondContact O-CD 3.48Å; S51-K54 WeakPolarHBondContact O-CE 3.37Å; S51-K54 PolarHBondContact O-NZ 3.21Å
52	V	94.7	Very high	94.4	Very high	67 Å²	67	39.1 Å²	39.1	41%	0.406	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-49.3	173.5	175.8	0	0	0	0	110.1	R30 D50 K54	R30-V52 HydrophobicContact CB-CG2 4.02Å; D50-V52 PolarHBondContact O-N 3.46Å; D50-V52 WeakPolarHBondContact OD1-CB 3.33Å; D50-V52 PolarHBondContact OD1-N 2.88Å; V52-K54 VanDerWaalsContact C-N 3.26Å; V52-K54 PolarHBondContact O-N 3.43Å
53	L	94.1	Very high	95	Very high	74 Å²	74	38.5 Å²	38.5	39%	0.387	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79	-9.7	178.5	-63	178.7	0	0	0	113.3	D50 Q55 L94	D50-L53 HydrophobicContact CB-CB 4.21Å; D50-L53 PolarHBondContact O-N 3.26Å; D50-L53 PolarHBondContact OD1-N 2.94Å; D50-L53 WeakPolarHBondContact OD2-CD1 3.05Å; D50-L53 WeakPolarHBondContact OD2-CG 3.44Å; L53-Q55 VanDerWaalsContact C-N 3.26Å; L53-Q55 HydrophobicContact CB-CG 3.8Å; L53-Q55 PolarHBondContact O-N 2.98Å; L53-L94 HydrophobicContact CD1-CB 4.41Å; L53-L94 HydrophobicContact CD1-CD1 4.31Å
54	K	96.6	Very high	95.2	Very high	143 Å²	143	47 Å²	47	62%	0.622	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.2	36	-178.5	-56.9	-60.4	-174.1	-164.2	0	113.9	Y49 D50 S51 V52	Y49-K54 WeakPolarHBondContact OH-CA 3.45Å; D50-K54 WeakPolarHBondContact O-CA 3.4Å; D50-K54 PolarHBondContact O-N 3.43Å; S51-K54 WeakPolarHBondContact O-CD 3.48Å; S51-K54 WeakPolarHBondContact O-CE 3.37Å; S51-K54 PolarHBondContact O-NZ 3.21Å; V52-K54 VanDerWaalsContact C-N 3.26Å; V52-K54 PolarHBondContact O-N 3.43Å
55	Q	96.6	Very high	95.3	Very high	80 Å²	80	43.8 Å²	43.8	37%	0.374	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	161.8	-177.8	66.1	-177.2	-12.8	0	0	111.7	D50 L53 V57	D50-Q55 PolarHBondContact N-O 2.93Å; D50-Q55 PolarHBondContact O-N 3.37Å; L53-Q55 VanDerWaalsContact C-N 3.26Å; L53-Q55 HydrophobicContact CB-CG 3.8Å; L53-Q55 PolarHBondContact O-N 2.98Å; Q55-V57 HydrophobicContact CG-CG1 4.17Å
56	D	97.3	Very high	95.4	Very high	93 Å²	93	43.9 Å²	43.9	50%	0.497	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	142.3	167.9	-66.7	-40.5	0	0	0	110.6	A48 F115	A48-D56 WeakPolarHBondContact O-CA 3.44Å; D56-F115 HydrophobicContact CB-CB 3.99Å; D56-F115 HydrophobicContact CB-CD1 4.15Å; D56-F115 HydrophobicContact CB-CG 4.07Å; D56-F115 WeakPolarHBondContact O-CB 3.34Å
57	V	97.8	Very high	95.2	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	158	-179.5	-62.6	0	0	0	0	110.7	Y31 A47 A48 D50 Q55 I59 L94 V112 M113	Y31-V57 HydrophobicContact CD1-CG2 3.95Å; Y31-V57 HydrophobicContact CE1-CG2 4Å; A47-V57 CarbonylContact C-O 3.22Å; A47-V57 WeakPolarHBondContact CA-O 3.24Å; A48-V57 HydrophobicContact CB-CG2 4.24Å; A48-V57 PolarHBondContact N-O 2.9Å; A48-V57 WeakPolarHBondContact O-CG2 3.35Å; A48-V57 PolarHBondContact O-N 3.38Å; D50-V57 HydrophobicContact CB-CG1 3.84Å; D50-V57 HydrophobicContact CB-CG2 4.14Å; Q55-V57 HydrophobicContact CG-CG1 4.17Å; V57-I59 HydrophobicContact CG2-CG1 4.22Å; V57-L94 HydrophobicContact CG1-CD1 3.82Å; V57-V112 HydrophobicContact CB-CG1 3.77Å; V57-V112 HydrophobicContact CG1-CG1 4.16Å; V57-V112 HydrophobicContact CG2-CG1 3.8Å; V57-M113 WeakPolarHBondContact CA-O 3.43Å; V57-M113 WeakPolarHBondContact CB-O 3.4Å
58	A	96.9	Very high	95	Very high	7 Å²	7	51.2 Å²	51.2	6%	0.058	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	128.2	169	0	0	0	0	0	110.1	I37 V45 V46 V112 M113	I37-A58 HydrophobicContact CD1-CB 4.08Å; V45-A58 HydrophobicContact CG1-CB 4.27Å; V46-A58 CarbonylContact O-C 3.56Å; V46-A58 WeakPolarHBondContact O-CA 3.5Å; A58-V112 CarbonylContact O-C 3.39Å; A58-V112 WeakPolarHBondContact O-CA 3.25Å; A58-M113 HydrophobicContact CB-CE 4.35Å; A58-M113 PolarHBondContact N-O 2.91Å; A58-M113 PolarHBondContact O-N 2.92Å
59	I	96.9	Very high	94.7	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	112.6	178	-52.3	-179.5	0	0	0	109	Y31 V45 V46 A48 V57 F97 Y110 L111 V112	Y31-I59 HydrophobicContact CD1-CD1 3.85Å; Y31-I59 HydrophobicContact CD2-CD1 4.03Å; Y31-I59 HydrophobicContact CE1-CD1 4.46Å; Y31-I59 HydrophobicContact CG-CD1 3.62Å; V45-I59 WeakPolarHBondContact CA-O 3.38Å; V46-I59 HydrophobicContact CG2-CB 3.89Å; V46-I59 PolarHBondContact N-O 2.97Å; V46-I59 PolarHBondContact O-N 3.49Å; A48-I59 HydrophobicContact CB-CD1 3.69Å; A48-I59 HydrophobicContact CB-CG1 4.22Å; V57-I59 HydrophobicContact CG2-CG1 4.22Å; I59-F97 HydrophobicContact CG2-CE1 4.48Å; I59-F97 HydrophobicContact CG2-CZ 4.37Å; I59-Y110 HydrophobicContact CG2-CD1 4Å; I59-L111 CarbonylContact C-O 3.59Å; I59-L111 WeakPolarHBondContact CA-O 3.31Å; I59-V112 HydrophobicContact CG1-CG1 4.31Å; I59-V112 HydrophobicContact CG1-CG2 4.2Å; I59-V112 HydrophobicContact CG2-CG2 4.44Å
60	K	94.8	Very high	94.1	Very high	18 Å²	18	55 Å²	55	8%	0.078	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	117.6	172.8	-176.6	177.5	-172.6	179.7	0	109.8	F44 V45 L62 E78 Y110 L111 M113	F44-K60 CarbonylContact O-C 3.55Å; F44-K60 WeakPolarHBondContact O-CA 3.08Å; V45-K60 HydrophobicContact CG2-CB 4.18Å; V45-K60 HydrophobicContact CG2-CG 4.06Å; K60-L62 HydrophobicContact CD-CD2 4.08Å; K60-L62 HydrophobicContact CG-CD2 4.18Å; K60-E78 WeakPolarHBondContact CE-OE1 3.4Å; K60-E78 IonicContact NZ-OE1 3.39Å; K60-E78 PolarHBondContact NZ-OE1 2.94Å; K60-E78 IonicContact NZ-OE2 2.84Å; K60-Y110 WeakPolarHBondContact O-CA 3.49Å; K60-L111 HydrophobicContact CB-CB 4.46Å; K60-L111 PolarHBondContact N-O 3.28Å; K60-L111 PolarHBondContact O-N 2.95Å; K60-M113 HydrophobicContact CB-CE 3.95Å
61	K	95.1	Very high	93.7	Very high	33 Å²	33	58.3 Å²	58.3	14%	0.143	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	115.8	166.4	-175.5	-177.4	-173	179	0	109.2	R24 F25 G43 F44 A63 D108 Y110	R24-K61 PolarHBondContact O-NZ 3.12Å; F25-K61 HydrophobicContact CD1-CB 4.49Å; F25-K61 HydrophobicContact CE1-CB 3.75Å; F25-K61 HydrophobicContact CZ-CB 4Å; G43-K61 CarbonylContact C-O 3.6Å; G43-K61 WeakPolarHBondContact CA-O 3.49Å; F44-K61 PolarHBondContact N-O 3.06Å; F44-K61 PolarHBondContact O-N 3.39Å; K61-A63 PolarHBondContact O-N 3.24Å; K61-D108 WeakPolarHBondContact CE-OD1 3.5Å; K61-D108 IonicContact NZ-OD1 2.92Å; K61-D108 PolarHBondContact NZ-OD1 3.02Å; K61-Y110 HydrophobicContact CB-CD1 3.9Å; K61-Y110 HydrophobicContact CB-CE1 3.7Å; K61-Y110 HydrophobicContact CD-CE1 3.74Å; K61-Y110 WeakPolarHBondContact CD-OH 3.06Å; K61-Y110 VanDerWaalsContact CE-OH 3.25Å; K61-Y110 WeakPolarHBondContact CE-OH 3.38Å; K61-Y110 HydrophobicContact CG-CD1 4.09Å; K61-Y110 HydrophobicContact CG-CE1 3.59Å; K61-Y110 PolarHBondContact NZ-OH 2.94Å
62	L	93	Very high	93.4	Very high	10 Å²	10	56.3 Å²	56.3	5%	0.052	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	133.4	179.5	-60.4	-170.7	0	0	0	111.4	K60 R64 P65 A75 V109 L111	K60-L62 HydrophobicContact CD-CD2 4.08Å; K60-L62 HydrophobicContact CG-CD2 4.18Å; L62-R64 PolarHBondContact O-N 2.78Å; L62-P65 HydrophobicContact CB-CB 4.32Å; L62-P65 HydrophobicContact CB-CG 4.38Å; L62-A75 HydrophobicContact CD1-CB 3.79Å; L62-V109 HydrophobicContact CB-CB 4.4Å; L62-V109 HydrophobicContact CD1-CB 3.9Å; L62-V109 HydrophobicContact CD1-CG1 3.93Å; L62-V109 HydrophobicContact CG-CB 4.15Å; L62-V109 HydrophobicContact CG-CG1 4.36Å; L62-V109 PolarHBondContact N-O 3.39Å; L62-L111 HydrophobicContact CD2-CD1 4.14Å
63	A	89	Confident	93.1	Very high	35 Å²	35	55.6 Å²	55.6	29%	0.289	27%	0.273	S	S	.	.	S	Bend	trans	-81.3	113.4	178.5	0	0	0	0	0	110.9	Q42 K61	Q42-A63 PolarHBondContact O-N 3.11Å; K61-A63 PolarHBondContact O-N 3.24Å
64	R	90	Very high	92.8	Very high	182 Å²	182	54.8 Å²	54.8	69%	0.687	27%	0.265	S	S	*	.	S	Bend	trans	45.4	54.7	173.2	-52.2	178.8	-167.8	157.9	3.9	113	L62 F66 Q67	L62-R64 PolarHBondContact O-N 2.78Å; R64-F66 PolarHBondContact O-N 3.33Å; R64-Q67 HydrophobicContact CB-CB 4.11Å; R64-Q67 WeakPolarHBondContact O-CB 3.22Å; R64-Q67 PolarHBondContact O-N 3.45Å
65	P	92.8	Very high	92.6	Very high	7 Å²	7	48.2 Å²	48.2	5%	0.045	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-23.3	-172.4	23.9	-34.3	0	0	0	113.3	L62 H71 A72 A75 V109	L62-P65 HydrophobicContact CB-CB 4.32Å; L62-P65 HydrophobicContact CB-CG 4.38Å; P65-H71 CarbonylContact O-C 3.41Å; P65-H71 WeakPolarHBondContact O-CB 3.35Å; P65-A72 WeakPolarHBondContact O-CA 3.22Å; P65-A72 PolarHBondContact O-N 2.98Å; P65-A75 HydrophobicContact CB-CB 3.69Å; P65-V109 HydrophobicContact CG-CG2 4.31Å
66	F	94.5	Very high	92.3	Very high	33 Å²	33	45.1 Å²	45.1	15%	0.145	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.4	21.3	-177.8	-45.4	-58.7	0	0	0	113.8	R64 N68 A72 F106 V109 V355 K359 I362	R64-F66 PolarHBondContact O-N 3.33Å; F66-N68 VanDerWaalsContact C-N 3.33Å; F66-N68 PolarHBondContact O-N 2.98Å; F66-A72 HydrophobicContact CD1-CB 4.31Å; F66-F106 HydrophobicContact CE1-CE1 4.14Å; F66-F106 AromaticContact CE2-CD1 3.88Å; F66-F106 HydrophobicContact CE2-CD1 3.88Å; F66-F106 AromaticContact CE2-CE1 3.87Å; F66-F106 HydrophobicContact CE2-CE1 3.87Å; F66-F106 HydrophobicContact CE2-CG 4.3Å; F66-F106 HydrophobicContact CE2-CZ 4.25Å; F66-F106 AromaticContact CZ-CD1 3.71Å; F66-F106 HydrophobicContact CZ-CD1 3.71Å; F66-F106 AromaticContact CZ-CE1 3.26Å; F66-F106 HydrophobicContact CZ-CE1 3.26Å; F66-F106 HydrophobicContact CZ-CE2 4.46Å; F66-F106 HydrophobicContact CZ-CG 4.49Å; F66-F106 AromaticContact CZ-CZ 3.72Å; F66-F106 HydrophobicContact CZ-CZ 3.72Å; F66-V109 HydrophobicContact CZ-CG2 4.17Å; F66-V355 HydrophobicContact CB-CG1 3.89Å; F66-V355 VanDerWaalsContact O-CG1 3.31Å; F66-V355 WeakPolarHBondContact O-CG1 3.47Å; F66-K359 HydrophobicContact CD1-CB 3.7Å; F66-K359 HydrophobicContact CD1-CD 4.37Å; F66-K359 HydrophobicContact CD1-CG 3.91Å; F66-K359 HydrophobicContact CD2-CD 4.06Å; F66-K359 HydrophobicContact CD2-CG 4.19Å; F66-K359 HydrophobicContact CE1-CB 3.84Å; F66-K359 HydrophobicContact CE1-CG 3.86Å; F66-K359 HydrophobicContact CE2-CD 4.39Å; F66-K359 HydrophobicContact CE2-CG 4.14Å; F66-K359 HydrophobicContact CG-CB 4.23Å; F66-K359 HydrophobicContact CG-CD 4.07Å; F66-K359 HydrophobicContact CG-CG 4.09Å; F66-K359 HydrophobicContact CZ-CB 4.48Å; F66-K359 HydrophobicContact CZ-CG 4Å; F66-I362 HydrophobicContact CE1-CB 4.48Å; F66-I362 HydrophobicContact CE1-CD1 3.67Å; F66-I362 HydrophobicContact CZ-CD1 4.49Å
67	Q	91.9	Very high	91.9	Very high	109 Å²	109	40.9 Å²	40.9	51%	0.509	20%	0.199	S	C	.	.	S	Bend	trans	-63.4	-37.8	-177.7	-178	171.9	-15	0	0	113	R64	R64-Q67 HydrophobicContact CB-CB 4.11Å; R64-Q67 WeakPolarHBondContact O-CB 3.22Å; R64-Q67 PolarHBondContact O-N 3.45Å
68	N	91.5	Very high	91.5	Very high	62 Å²	62	41.2 Å²	41.2	33%	0.332	20%	0.201	S	C	.	.	S	Bend	trans	-158.7	175.8	173.6	61.1	43.9	0	0	0	109.6	F66 T70 H71 A72	F66-N68 VanDerWaalsContact C-N 3.33Å; F66-N68 PolarHBondContact O-N 2.98Å; N68-T70 VanDerWaalsContact C-N 3.25Å; N68-T70 PolarHBondContact O-N 2.8Å; N68-T70 WeakPolarHBondContact OD1-CB 3.5Å; N68-T70 PolarHBondContact OD1-N 2.97Å; N68-T70 VanDerWaalsContact OD1-N 3.11Å; N68-H71 PolarHBondContact ND2-ND1 3Å; N68-H71 VanDerWaalsContact ND2-ND1 3.19Å; N68-H71 PolarHBondContact O-N 3.14Å; N68-H71 VanDerWaalsContact O-N 3.12Å; N68-H71 PolarHBondContact OD1-N 2.95Å; N68-H71 PolarHBondContact OD1-ND1 2.91Å; N68-A72 PolarHBondContact O-N 3.43Å
69	V	91.4	Very high	91.2	Very high	65 Å²	65	40.9 Å²	40.9	39%	0.394	20%	0.198	S	C	.	.	H	α-helix	trans	-56.9	-38.8	-176.1	178.1	0	0	0	0	112	A72 K73 L353 V355	V69-A72 PolarHBondContact O-N 2.91Å; V69-K73 VanDerWaalsContact O-CB 3.24Å; V69-K73 WeakPolarHBondContact O-CB 3.25Å; V69-K73 PolarHBondContact O-N 3.24Å; V69-L353 WeakPolarHBondContact CG1-O 3.25Å; V69-V355 HydrophobicContact CG2-CG2 3.81Å
70	T	86.4	Confident	90.8	Very high	95 Å²	95	41.9 Å²	41.9	58%	0.583	21%	0.205	S	C	*	.	H	α-helix	trans	-64.1	-43.2	178.7	-50.8	0	0	0	0	112.1	N68 R74	N68-T70 VanDerWaalsContact C-N 3.25Å; N68-T70 PolarHBondContact O-N 2.8Å; N68-T70 WeakPolarHBondContact OD1-CB 3.5Å; N68-T70 PolarHBondContact OD1-N 2.97Å; N68-T70 VanDerWaalsContact OD1-N 3.11Å; T70-R74 WeakPolarHBondContact O-CB 2.84Å; T70-R74 PolarHBondContact O-N 2.76Å
71	H	88.6	Confident	90.5	Very high	70 Å²	70	41.1 Å²	41.1	32%	0.324	20%	0.201	S	C	.	.	H	α-helix	trans	-66.6	-43	176.7	-68.6	76.4	0	0	0	111	P65 N68 R74 A75	P65-H71 CarbonylContact O-C 3.41Å; P65-H71 WeakPolarHBondContact O-CB 3.35Å; N68-H71 PolarHBondContact ND2-ND1 3Å; N68-H71 VanDerWaalsContact ND2-ND1 3.19Å; N68-H71 PolarHBondContact O-N 3.14Å; N68-H71 VanDerWaalsContact O-N 3.12Å; N68-H71 PolarHBondContact OD1-N 2.95Å; N68-H71 PolarHBondContact OD1-ND1 2.91Å; H71-R74 PolarHBondContact O-N 3.41Å; H71-A75 PolarHBondContact O-N 3.49Å
72	A	91.9	Very high	90.3	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-66.2	-44.4	-178.2	0	0	0	0	0	111.2	P65 F66 N68 V69 R74 A75 Y76 W358 I362	P65-A72 WeakPolarHBondContact O-CA 3.22Å; P65-A72 PolarHBondContact O-N 2.98Å; F66-A72 HydrophobicContact CD1-CB 4.31Å; N68-A72 PolarHBondContact O-N 3.43Å; V69-A72 PolarHBondContact O-N 2.91Å; A72-R74 VanDerWaalsContact C-N 3.34Å; A72-R74 PolarHBondContact O-N 3.16Å; A72-A75 PolarHBondContact O-N 2.91Å; A72-Y76 PolarHBondContact O-N 2.89Å; A72-W358 HydrophobicContact CB-CB 3.56Å; A72-W358 HydrophobicContact CB-CG 4.05Å; A72-I362 WeakPolarHBondContact O-CD1 3.3Å
73	K	88.7	Confident	90.1	Very high	51 Å²	51	42.8 Å²	42.8	22%	0.222	21%	0.208	C	C	.	.	H	α-helix	trans	-61.3	-40.5	173.7	-173.8	174.5	179.7	176.8	0	112.1	V69 R77 G349 W358	V69-K73 VanDerWaalsContact O-CB 3.24Å; V69-K73 WeakPolarHBondContact O-CB 3.25Å; V69-K73 PolarHBondContact O-N 3.24Å; K73-R77 WeakPolarHBondContact O-CB 3.4Å; K73-R77 PolarHBondContact O-N 3.33Å; K73-G349 VanDerWaalsContact CE-O 3.25Å; K73-G349 WeakPolarHBondContact CE-O 3.36Å; K73-G349 PolarHBondContact NZ-O 3.13Å; K73-W358 HydrophobicContact CB-CD2 4.46Å; K73-W358 HydrophobicContact CB-CZ2 4.22Å; K73-W358 HydrophobicContact CD-CZ2 4.13Å; K73-W358 HydrophobicContact CG-CH2 4.31Å; K73-W358 HydrophobicContact CG-CZ2 3.87Å
74	R	87.8	Confident	90	Very high	58 Å²	58	43.4 Å²	43.4	22%	0.219	21%	0.206	C	C	.	.	H	α-helix	trans	-62.7	-47.3	175.7	174.7	167.7	-173.5	155.3	16.1	111.7	T70 H71 A72 Y76 R77 E78 D174 G176	T70-R74 WeakPolarHBondContact O-CB 2.84Å; T70-R74 PolarHBondContact O-N 2.76Å; H71-R74 PolarHBondContact O-N 3.41Å; A72-R74 VanDerWaalsContact C-N 3.34Å; A72-R74 PolarHBondContact O-N 3.16Å; R74-Y76 PolarHBondContact O-N 3.02Å; R74-R77 PolarHBondContact O-N 2.95Å; R74-E78 WeakPolarHBondContact O-CB 3.29Å; R74-E78 PolarHBondContact O-N 2.97Å; R74-D174 IonicContact NH2-OD1 3.7Å; R74-D174 PolarHBondContact NH2-OD1 2.86Å; R74-D174 IonicContact NH2-OD2 3.37Å; R74-D174 PolarHBondContact NH2-OD2 3.02Å; R74-G176 WeakPolarHBondContact CG-O 3.42Å
75	A	90.9	Very high	89.9	Confident	4 Å²	4	35 Å²	35	3%	0.033	18%	0.175	C	C	.	.	H	α-helix	trans	-62.2	-42.4	179	0	0	0	0	0	111.9	L62 P65 H71 A72 F79 I362	L62-A75 HydrophobicContact CD1-CB 3.79Å; P65-A75 HydrophobicContact CB-CB 3.69Å; H71-A75 PolarHBondContact O-N 3.49Å; A72-A75 PolarHBondContact O-N 2.91Å; A75-F79 WeakPolarHBondContact O-CB 3.25Å; A75-F79 PolarHBondContact O-N 2.92Å; A75-F79 VanDerWaalsContact O-N 3.07Å; A75-I362 HydrophobicContact CB-CD1 3.97Å
76	Y	91.1	Very high	89.7	Confident	15 Å²	15	40.8 Å²	40.8	6%	0.059	21%	0.206	C	C	.	.	H	α-helix	trans	-61.8	-50	175.2	179.5	-102.4	0	0	0	111.4	A72 R74 E78 F79 V80 W358 R361 I362 E365	A72-Y76 PolarHBondContact O-N 2.89Å; R74-Y76 PolarHBondContact O-N 3.02Å; Y76-E78 PolarHBondContact O-N 2.87Å; Y76-F79 PolarHBondContact O-N 3.1Å; Y76-V80 HydrophobicContact CD1-CG2 4.25Å; Y76-V80 HydrophobicContact CD2-CG2 4.01Å; Y76-V80 HydrophobicContact CE1-CG2 3.9Å; Y76-V80 HydrophobicContact CE2-CG2 3.6Å; Y76-V80 HydrophobicContact CG-CG2 4.33Å; Y76-V80 WeakPolarHBondContact O-CG2 3.36Å; Y76-V80 PolarHBondContact O-N 3.35Å; Y76-W358 AromaticContact CD1-CE3 3.9Å; Y76-W358 HydrophobicContact CD1-CE3 3.9Å; Y76-W358 HydrophobicContact CD1-CH2 4.22Å; Y76-W358 AromaticContact CD1-CZ3 3.3Å; Y76-W358 HydrophobicContact CD1-CZ3 3.3Å; Y76-W358 HydrophobicContact CD2-CE3 4.39Å; Y76-W358 HydrophobicContact CD2-CZ3 4.45Å; Y76-W358 AromaticContact CE1-CZ3 3.71Å; Y76-W358 HydrophobicContact CE1-CZ3 3.71Å; Y76-W358 AromaticContact CG-CE3 3.78Å; Y76-W358 HydrophobicContact CG-CE3 3.78Å; Y76-W358 AromaticContact CG-CZ3 3.7Å; Y76-W358 HydrophobicContact CG-CZ3 3.7Å; Y76-R361 HydrophobicContact CD2-CB 4.1Å; Y76-R361 HydrophobicContact CE2-CB 3.88Å; Y76-I362 HydrophobicContact CD2-CG1 3.78Å; Y76-I362 HydrophobicContact CG-CG1 4.22Å; Y76-E365 HydrophobicContact CE2-CG 4.17Å
77	R	88.4	Confident	89.6	Confident	4 Å²	4	39.8 Å²	39.8	2%	0.015	20%	0.201	C	C	.	.	H	α-helix	trans	-61.5	-46.1	-179.5	-177.9	174.5	-69.4	135	-16.9	112	K73 R74 F79 V80 L81 A178 D346	K73-R77 WeakPolarHBondContact O-CB 3.4Å; K73-R77 PolarHBondContact O-N 3.33Å; R74-R77 PolarHBondContact O-N 2.95Å; R77-F79 VanDerWaalsContact C-N 3.29Å; R77-F79 PolarHBondContact O-N 3.37Å; R77-V80 PolarHBondContact O-N 3.33Å; R77-L81 HydrophobicContact CG-CD1 3.51Å; R77-L81 HydrophobicContact CG-CG 3.97Å; R77-L81 VanDerWaalsContact O-CB 3.31Å; R77-L81 WeakPolarHBondContact O-CB 3.35Å; R77-L81 VanDerWaalsContact O-CG 3.25Å; R77-L81 WeakPolarHBondContact O-CG 3.12Å; R77-L81 PolarHBondContact O-N 2.8Å; R77-A178 WeakPolarHBondContact CD-O 3.44Å; R77-D346 IonicContact CZ-OD2 3.58Å; R77-D346 IonicContact NE-OD2 3.88Å; R77-D346 IonicContact NH2-OD1 3.83Å; R77-D346 IonicContact NH2-OD2 3.61Å; R77-D346 PolarHBondContact NH2-OD2 2.89Å
78	E	89.4	Confident	89.7	Confident	7 Å²	7	40 Å²	40	3%	0.033	20%	0.201	C	C	.	.	H	α-helix	trans	-55.9	-47.3	176.6	-175.5	172.2	178.7	0	0	110.7	K60 R74 Y76 M82 L111	K60-E78 WeakPolarHBondContact CE-OE1 3.4Å; K60-E78 IonicContact NZ-OE1 3.39Å; K60-E78 PolarHBondContact NZ-OE1 2.94Å; K60-E78 IonicContact NZ-OE2 2.84Å; R74-E78 WeakPolarHBondContact O-CB 3.29Å; R74-E78 PolarHBondContact O-N 2.97Å; Y76-E78 PolarHBondContact O-N 2.87Å; E78-M82 HydrophobicContact CG-SD 4.09Å; E78-M82 WeakPolarHBondContact O-CB 3.45Å; E78-M82 WeakPolarHBondContact O-CG 3.37Å; E78-M82 PolarHBondContact O-N 3.1Å; E78-M82 VanDerWaalsContact O-N 3.12Å; E78-L111 HydrophobicContact CG-CD1 4.27Å
79	F	90.8	Very high	90	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-65.3	-48.6	-179.6	-174	-131.6	0	0	0	113.4	A75 Y76 R77 M82 K83 L93 A96 L111 E365 V366 F369	A75-F79 WeakPolarHBondContact O-CB 3.25Å; A75-F79 PolarHBondContact O-N 2.92Å; A75-F79 VanDerWaalsContact O-N 3.07Å; Y76-F79 PolarHBondContact O-N 3.1Å; R77-F79 VanDerWaalsContact C-N 3.29Å; R77-F79 PolarHBondContact O-N 3.37Å; F79-M82 PolarHBondContact O-N 3.25Å; F79-K83 PolarHBondContact O-N 2.98Å; F79-L93 HydrophobicContact CD2-CD2 4.08Å; F79-L93 HydrophobicContact CE2-CD2 3.64Å; F79-A96 HydrophobicContact CD2-CB 4.18Å; F79-A96 HydrophobicContact CE2-CB 3.25Å; F79-A96 HydrophobicContact CZ-CB 3.71Å; F79-L111 HydrophobicContact CD2-CD2 3.55Å; F79-L111 HydrophobicContact CE2-CD2 4.04Å; F79-L111 HydrophobicContact CG-CD2 4.45Å; F79-E365 HydrophobicContact CD1-CB 3.85Å; F79-E365 HydrophobicContact CE1-CB 3.47Å; F79-E365 VanDerWaalsContact CE1-CB 3.47Å; F79-V366 HydrophobicContact CD1-CG2 4.27Å; F79-V366 HydrophobicContact CE1-CG2 3.76Å; F79-V366 HydrophobicContact CZ-CG2 4.03Å; F79-F369 HydrophobicContact CZ-CB 4.09Å; F79-F369 HydrophobicContact CZ-CD2 4.27Å; F79-F369 HydrophobicContact CZ-CG 4.26Å
80	V	88.4	Confident	90.2	Very high	22 Å²	22	34.1 Å²	34.1	13%	0.133	17%	0.167	C	C	.	.	H	α-helix	trans	-68.2	-40.6	-176.4	178.4	0	0	0	0	111.7	Y76 R77 K83 L84 Y344	Y76-V80 HydrophobicContact CD1-CG2 4.25Å; Y76-V80 HydrophobicContact CD2-CG2 4.01Å; Y76-V80 HydrophobicContact CE1-CG2 3.9Å; Y76-V80 HydrophobicContact CE2-CG2 3.6Å; Y76-V80 HydrophobicContact CG-CG2 4.33Å; Y76-V80 WeakPolarHBondContact O-CG2 3.36Å; Y76-V80 PolarHBondContact O-N 3.35Å; R77-V80 PolarHBondContact O-N 3.33Å; V80-K83 PolarHBondContact O-N 2.58Å; V80-L84 WeakPolarHBondContact O-CB 3.4Å; V80-L84 PolarHBondContact O-N 3.14Å; V80-Y344 HydrophobicContact CB-CE2 4.26Å; V80-Y344 HydrophobicContact CG1-CD2 4.19Å; V80-Y344 HydrophobicContact CG1-CE2 3.59Å
81	L	88.9	Confident	90.6	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.005	14%	0.14	C	C	.	.	H	α-helix	trans	-65.6	-39.5	177.3	-68.1	-179	0	0	0	111.8	R77 K83 L84 V85 I152 F175 A178 Y344	R77-L81 HydrophobicContact CG-CD1 3.51Å; R77-L81 HydrophobicContact CG-CG 3.97Å; R77-L81 VanDerWaalsContact O-CB 3.31Å; R77-L81 WeakPolarHBondContact O-CB 3.35Å; R77-L81 VanDerWaalsContact O-CG 3.25Å; R77-L81 WeakPolarHBondContact O-CG 3.12Å; R77-L81 PolarHBondContact O-N 2.8Å; L81-K83 VanDerWaalsContact C-N 3.3Å; L81-K83 PolarHBondContact O-N 3.37Å; L81-L84 PolarHBondContact O-N 2.98Å; L81-L84 VanDerWaalsContact O-N 3.16Å; L81-V85 WeakPolarHBondContact O-CG2 3.42Å; L81-V85 PolarHBondContact O-N 3.35Å; L81-I152 HydrophobicContact CD1-CG2 4.43Å; L81-I152 HydrophobicContact CD2-CD1 3.77Å; L81-I152 HydrophobicContact CD2-CG1 4.15Å; L81-F175 HydrophobicContact CB-CB 3.96Å; L81-F175 HydrophobicContact CB-CG 4.27Å; L81-F175 HydrophobicContact CD1-CB 3.83Å; L81-A178 HydrophobicContact CD1-CB 3.6Å; L81-Y344 HydrophobicContact CD2-CD1 3.73Å; L81-Y344 HydrophobicContact CD2-CD2 3.66Å; L81-Y344 HydrophobicContact CD2-CE1 4Å; L81-Y344 HydrophobicContact CD2-CE2 3.96Å; L81-Y344 HydrophobicContact CD2-CG 3.54Å
82	M	90.6	Very high	90.8	Very high	7 Å²	7	27.6 Å²	27.6	3%	0.034	13%	0.133	C	C	.	.	H	α-helix	trans	-65.6	-31	175	-75.4	-177.7	73.7	0	0	113.5	E78 F79 L84 I91 L93 L111 M113 F175	E78-M82 HydrophobicContact CG-SD 4.09Å; E78-M82 WeakPolarHBondContact O-CB 3.45Å; E78-M82 WeakPolarHBondContact O-CG 3.37Å; E78-M82 PolarHBondContact O-N 3.1Å; E78-M82 VanDerWaalsContact O-N 3.12Å; F79-M82 PolarHBondContact O-N 3.25Å; M82-L84 VanDerWaalsContact C-N 3.34Å; M82-I91 HydrophobicContact CE-CG2 4.41Å; M82-L93 HydrophobicContact CB-CB 4.15Å; M82-L93 HydrophobicContact CB-CD2 4.39Å; M82-L93 HydrophobicContact CE-CB 4.17Å; M82-L93 HydrophobicContact CE-CD1 3.88Å; M82-L111 HydrophobicContact SD-CD1 3.88Å; M82-M113 HydrophobicContact CE-CG 3.56Å; M82-M113 HydrophobicContact CE-SD 3.51Å; M82-M113 VanDerWaalsContact CE-SD 3.51Å; M82-F175 HydrophobicContact CG-CD2 3.71Å; M82-F175 HydrophobicContact CG-CE2 4.15Å
83	K	88.8	Confident	91	Very high	72 Å²	72	28.7 Å²	28.7	31%	0.313	14%	0.139	S	C	.	.	H	α-helix	trans	-72.5	-30.6	173.3	-176.6	178.7	171.2	-177.7	0	111.8	F79 V80 L81 E365 E368 F369	F79-K83 PolarHBondContact O-N 2.98Å; V80-K83 PolarHBondContact O-N 2.58Å; L81-K83 VanDerWaalsContact C-N 3.3Å; L81-K83 PolarHBondContact O-N 3.37Å; K83-E365 IonicContact NZ-OE2 2.64Å; K83-E365 PolarHBondContact NZ-OE2 2.76Å; K83-E368 IonicContact NZ-OE1 2.76Å; K83-F369 HydrophobicContact CD-CD2 4.22Å; K83-F369 HydrophobicContact CG-CD2 4.42Å; K83-F369 HydrophobicContact CG-CE2 4.37Å
84	L	86.7	Confident	91.2	Very high	48 Å²	48	28 Å²	28	25%	0.251	14%	0.137	S	C	.	.	H	α-helix	trans	-83.1	-45.5	-174.9	-176.2	66.9	0	0	0	112.9	V80 L81 M82 P341 Y344	V80-L84 WeakPolarHBondContact O-CB 3.4Å; V80-L84 PolarHBondContact O-N 3.14Å; L81-L84 PolarHBondContact O-N 2.98Å; L81-L84 VanDerWaalsContact O-N 3.16Å; M82-L84 VanDerWaalsContact C-N 3.34Å; L84-P341 HydrophobicContact CD1-CB 3.78Å; L84-P341 HydrophobicContact CD1-CG 4.48Å; L84-P341 HydrophobicContact CD2-CG 4.41Å; L84-P341 HydrophobicContact CG-CB 3.72Å; L84-P341 HydrophobicContact CG-CG 3.91Å; L84-P341 VanDerWaalsContact O-CB 3.23Å; L84-P341 WeakPolarHBondContact O-CB 3.2Å; L84-Y344 HydrophobicContact CD2-CD2 4.09Å; L84-Y344 HydrophobicContact CD2-CG 4.3Å
85	V	87.6	Confident	91.6	Very high	5 Å²	5	25.7 Å²	25.7	3%	0.03	13%	0.129	C	C	.	.			trans	-84.8	126.6	-170.7	-176.9	0	0	0	0	110.7	L81 I90 L147 I152 P341	L81-V85 WeakPolarHBondContact O-CG2 3.42Å; L81-V85 PolarHBondContact O-N 3.35Å; V85-I90 HydrophobicContact CB-CG2 4.29Å; V85-I90 HydrophobicContact CG1-CB 4.01Å; V85-I90 HydrophobicContact CG1-CG1 3.9Å; V85-I90 HydrophobicContact CG1-CG2 3.63Å; V85-L147 HydrophobicContact CG1-CD2 4.03Å; V85-L147 HydrophobicContact CG2-CD2 4.01Å; V85-I152 HydrophobicContact CG2-CD1 3.65Å; V85-P341 HydrophobicContact CG2-CG 4.43Å
86	N	88.7	Confident	91.8	Very high	128 Å²	128	25.5 Å²	25.5	68%	0.684	13%	0.128	S	C	*	.			trans	-134.3	104.3	175.2	179.6	26.8	0	0	0	109.7
87	H	93.2	Very high	92.1	Very high	12 Å²	12	25 Å²	25	6%	0.056	13%	0.126	C	C	.	.			trans	-151.3	148.9	-178.4	-176.4	-99.4	0	0	0	110.5	N89 I90 H146 E335	H87-N89 PolarHBondContact CE1-OD1 2.87Å; H87-N89 VanDerWaalsContact CE1-OD1 3.31Å; H87-N89 PolarHBondContact ND1-N 3.49Å; H87-N89 VanDerWaalsContact ND1-N 3.11Å; H87-N89 PolarHBondContact O-N 2.96Å; H87-N89 VanDerWaalsContact O-N 3.16Å; H87-I90 HydrophobicContact CB-CB 4.06Å; H87-I90 HydrophobicContact CB-CG1 3.82Å; H87-I90 PolarHBondContact O-N 3.31Å; H87-H146 HydrophobicContact CB-CB 4.44Å; H87-H146 AromaticContact CD2-CG 3.61Å; H87-H146 AromaticContact CD2-ND1 3.5Å; H87-H146 AromaticContact CG-CD2 3.99Å; H87-H146 AromaticContact CG-CG 3.69Å; H87-H146 AromaticContact CG-ND1 3.97Å; H87-E335 PolarHBondContact NE2-O 3.25Å
88	K	94.7	Very high	92.5	Very high	115 Å²	115	24.8 Å²	24.8	50%	0.5	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-37.5	-177.1	-172.2	177.7	174.2	-173.6	0	112.5	K171 E335	K88-K171 VanDerWaalsContact O-CE 3.28Å; K88-K171 WeakPolarHBondContact O-CE 3.46Å; K88-K171 WeakPolarHBondContact O-CG 3.36Å; K88-K171 PolarHBondContact O-NZ 3.15Å; K88-E335 WeakPolarHBondContact CD-OE1 3.34Å; K88-E335 IonicContact NZ-OE1 3.5Å; K88-E335 PolarHBondContact NZ-OE1 3.47Å
89	N	96.8	Very high	92.7	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.005	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97	14	179.2	-50.7	112.1	0	0	0	115.1	H87 Q139 L170 K171 I172	H87-N89 PolarHBondContact CE1-OD1 2.87Å; H87-N89 VanDerWaalsContact CE1-OD1 3.31Å; H87-N89 PolarHBondContact ND1-N 3.49Å; H87-N89 VanDerWaalsContact ND1-N 3.11Å; H87-N89 PolarHBondContact O-N 2.96Å; H87-N89 VanDerWaalsContact O-N 3.16Å; N89-Q139 WeakPolarHBondContact CB-O 3.42Å; N89-Q139 VanDerWaalsContact ND2-CB 3.35Å; N89-Q139 WeakPolarHBondContact ND2-CB 3.19Å; N89-Q139 WeakPolarHBondContact ND2-CG 3.19Å; N89-Q139 PolarHBondContact ND2-OE1 3.24Å; N89-L170 WeakPolarHBondContact CA-O 3.4Å; N89-L170 PolarHBondContact ND2-O 3.13Å; N89-K171 WeakPolarHBondContact O-CA 3.3Å; N89-I172 PolarHBondContact O-N 2.87Å
90	I	95.6	Very high	92.9	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.005	13%	0.132	C	C	.	.	B	Isolated β-bridge	trans	-116.6	142.8	171.3	-60	-59.7	0	0	0	108.4	V85 H87 S92 L147 K171 I172 F175	V85-I90 HydrophobicContact CB-CG2 4.29Å; V85-I90 HydrophobicContact CG1-CB 4.01Å; V85-I90 HydrophobicContact CG1-CG1 3.9Å; V85-I90 HydrophobicContact CG1-CG2 3.63Å; H87-I90 HydrophobicContact CB-CB 4.06Å; H87-I90 HydrophobicContact CB-CG1 3.82Å; H87-I90 PolarHBondContact O-N 3.31Å; I90-S92 PolarHBondContact O-N 3.39Å; I90-L147 HydrophobicContact CD1-CD1 3.79Å; I90-L147 HydrophobicContact CD1-CD2 4.19Å; I90-L147 HydrophobicContact CD1-CG 3.88Å; I90-K171 PolarHBondContact O-NZ 2.99Å; I90-I172 HydrophobicContact CD1-CB 3.84Å; I90-I172 HydrophobicContact CD1-CD1 4.01Å; I90-I172 HydrophobicContact CD1-CG1 4.29Å; I90-F175 HydrophobicContact CD1-CZ 4.38Å; I90-F175 HydrophobicContact CG2-CE2 4Å; I90-F175 HydrophobicContact CG2-CZ 3.51Å
91	I	95.3	Very high	93	Very high	3 Å²	3	31 Å²	31	2%	0.015	15%	0.153	C	C	.	.			trans	-67.3	130.6	177.9	-166	66.1	0	0	0	111.4	M82 M113 E114 M116 K171 I172 L173 F175	M82-I91 HydrophobicContact CE-CG2 4.41Å; I91-M113 HydrophobicContact CD1-CB 4.36Å; I91-M113 HydrophobicContact CG1-CB 3.92Å; I91-M113 HydrophobicContact CG1-CG 4.24Å; I91-M113 HydrophobicContact CG1-SD 4.16Å; I91-E114 HydrophobicContact CD1-CB 3.94Å; I91-M116 HydrophobicContact CD1-CG 4.23Å; I91-K171 HydrophobicContact CB-CB 4.42Å; I91-K171 HydrophobicContact CD1-CB 4.42Å; I91-K171 HydrophobicContact CD1-CD 4.05Å; I91-I172 WeakPolarHBondContact CB-O 3.46Å; I91-I172 WeakPolarHBondContact CG2-O 3.35Å; I91-I172 PolarHBondContact N-O 2.86Å; I91-L173 HydrophobicContact CB-CD2 3.5Å; I91-L173 VanDerWaalsContact CB-CD2 3.5Å; I91-L173 HydrophobicContact CD1-CD2 4.08Å; I91-L173 HydrophobicContact CG1-CD2 3.59Å; I91-L173 HydrophobicContact CG2-CD2 3.56Å; I91-F175 HydrophobicContact CG2-CE2 4.41Å
92	S	93.6	Very high	93.3	Very high	25 Å²	25	34 Å²	34	18%	0.175	17%	0.171	C	C	.	.			trans	-86.8	136.2	178.9	-59.1	0	0	0	0	111.2	I90 L94 M113 E114	I90-S92 PolarHBondContact O-N 3.39Å; S92-L94 PolarHBondContact O-N 3.25Å; S92-M113 WeakPolarHBondContact O-CA 3.44Å; S92-E114 WeakPolarHBondContact CB-OE2 3.46Å; S92-E114 PolarHBondContact N-OE2 3.47Å; S92-E114 PolarHBondContact OG-OE2 3.08Å
93	L	94.4	Very high	93.5	Very high	23 Å²	23	37.1 Å²	37.1	12%	0.12	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	113.5	166.2	-176.7	70.6	0	0	0	109.3	F79 M82 N95 L111 F369	F79-L93 HydrophobicContact CD2-CD2 4.08Å; F79-L93 HydrophobicContact CE2-CD2 3.64Å; M82-L93 HydrophobicContact CB-CB 4.15Å; M82-L93 HydrophobicContact CB-CD2 4.39Å; M82-L93 HydrophobicContact CE-CB 4.17Å; M82-L93 HydrophobicContact CE-CD1 3.88Å; L93-N95 WeakPolarHBondContact CD1-O 3.37Å; L93-L111 HydrophobicContact CD1-CB 4.09Å; L93-L111 HydrophobicContact CD1-CD2 4.28Å; L93-F369 HydrophobicContact CD2-CD2 4.44Å; L93-F369 HydrophobicContact CD2-CE2 3.84Å; L93-F369 HydrophobicContact CD2-CZ 4.1Å; L93-F369 HydrophobicContact CG-CZ 4.36Å
94	L	94.3	Very high	93.7	Very high	36 Å²	36	41.2 Å²	41.2	19%	0.188	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	-35	179	-58.8	-178.6	0	0	0	112.3	L53 V57 S92 V112 E114	L53-L94 HydrophobicContact CD1-CB 4.41Å; L53-L94 HydrophobicContact CD1-CD1 4.31Å; V57-L94 HydrophobicContact CG1-CD1 3.82Å; S92-L94 PolarHBondContact O-N 3.25Å; L94-V112 HydrophobicContact CB-CG1 4.46Å; L94-V112 PolarHBondContact N-O 3.04Å; L94-E114 HydrophobicContact CD1-CG 4.16Å; L94-E114 HydrophobicContact CD2-CG 4.05Å; L94-E114 HydrophobicContact CG-CG 4.21Å
95	N	95	Very high	94	Very high	11 Å²	11	43.2 Å²	43.2	6%	0.059	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	159	177	-165.7	17.3	0	0	0	110.9	R30 Y31 L93 V112	R30-N95 PolarHBondContact NH1-ND2 3.02Å; Y31-N95 WeakPolarHBondContact OH-CB 3.46Å; Y31-N95 PolarHBondContact OH-ND2 2.78Å; L93-N95 WeakPolarHBondContact CD1-O 3.37Å; N95-V112 HydrophobicContact CB-CB 3.84Å; N95-V112 HydrophobicContact CB-CG2 3.96Å; N95-V112 PolarHBondContact N-O 3.47Å; N95-V112 WeakPolarHBondContact O-CA 3.23Å; N95-V112 WeakPolarHBondContact O-CB 3.39Å; N95-V112 PolarHBondContact O-N 3.48Å
96	A	95.9	Very high	94.3	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	142.5	164.1	0	0	0	0	0	110.2	F79 Y110 L111 F369 E370	F79-A96 HydrophobicContact CD2-CB 4.18Å; F79-A96 HydrophobicContact CE2-CB 3.25Å; F79-A96 HydrophobicContact CZ-CB 3.71Å; A96-Y110 CarbonylContact C-O 3.59Å; A96-Y110 VanDerWaalsContact CA-O 3.23Å; A96-Y110 WeakPolarHBondContact CA-O 3.46Å; A96-L111 HydrophobicContact CB-CD2 3.92Å; A96-F369 HydrophobicContact CB-CD1 4.39Å; A96-E370 WeakPolarHBondContact O-CG 3.21Å
97	F	96.4	Very high	94.6	Very high	3 Å²	3	42.9 Å²	42.9	1%	0.013	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	164.9	-175.6	65.8	-93.2	0	0	0	113.3	Y15 V27 P28 Y31 I59 Y110 V112 E370	Y15-F97 AromaticContact CE1-CD2 3.97Å; Y15-F97 HydrophobicContact CE1-CD2 3.97Å; Y15-F97 HydrophobicContact CE1-CE2 4.24Å; V27-F97 HydrophobicContact CB-CE2 4.12Å; V27-F97 HydrophobicContact CB-CZ 3.87Å; V27-F97 HydrophobicContact CG1-CE2 4.05Å; V27-F97 HydrophobicContact CG1-CZ 3.76Å; P28-F97 HydrophobicContact CG-CD2 4.16Å; P28-F97 HydrophobicContact CG-CE2 4.3Å; P28-F97 HydrophobicContact CG-CG 4.3Å; Y31-F97 HydrophobicContact CD2-CE1 4.07Å; Y31-F97 HydrophobicContact CD2-CZ 4.35Å; Y31-F97 HydrophobicContact CE2-CD1 4.08Å; Y31-F97 AromaticContact CE2-CE1 3.58Å; Y31-F97 HydrophobicContact CE2-CE1 3.58Å; Y31-F97 HydrophobicContact CE2-CZ 4.29Å; I59-F97 HydrophobicContact CG2-CE1 4.48Å; I59-F97 HydrophobicContact CG2-CZ 4.37Å; F97-Y110 AromaticContact CD2-CD2 3.89Å; F97-Y110 HydrophobicContact CD2-CD2 3.89Å; F97-Y110 HydrophobicContact CD2-CG 4.05Å; F97-Y110 HydrophobicContact CE1-CG 4.35Å; F97-Y110 VanDerWaalsContact CE2-CB 3.47Å; F97-Y110 HydrophobicContact CE2-CD1 4.06Å; F97-Y110 AromaticContact CE2-CD2 3.49Å; F97-Y110 HydrophobicContact CE2-CD2 3.49Å; F97-Y110 VanDerWaalsContact CE2-CD2 3.49Å; F97-Y110 HydrophobicContact CE2-CE2 4.22Å; F97-Y110 AromaticContact CE2-CG 3.4Å; F97-Y110 HydrophobicContact CE2-CG 3.4Å; F97-Y110 AromaticContact CZ-CD1 3.97Å; F97-Y110 HydrophobicContact CZ-CD1 3.97Å; F97-Y110 HydrophobicContact CZ-CD2 4.18Å; F97-Y110 AromaticContact CZ-CG 3.59Å; F97-Y110 HydrophobicContact CZ-CG 3.59Å; F97-Y110 PolarHBondContact N-O 3.42Å; F97-Y110 PolarHBondContact O-N 3.35Å; F97-V112 HydrophobicContact CD1-CG2 3.97Å; F97-V112 HydrophobicContact CE1-CG2 3.59Å; F97-E370 WeakPolarHBondContact CA-OE1 3.46Å; F97-E370 HydrophobicContact CB-CG 4.3Å; F97-E370 WeakPolarHBondContact CB-OE1 3.29Å
98	T	96.6	Very high	94.6	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.218	C	C	.	.			trans	-140.8	135.1	168.5	-178	0	0	0	0	111	Y15 Q100 F106 D108 F363 V366 E370	Y15-T98 PolarHBondContact OH-O 2.88Å; Y15-T98 VanDerWaalsContact OH-O 3.14Å; T98-Q100 PolarHBondContact O-N 3.07Å; T98-Q100 PolarHBondContact OG1-N 2.9Å; T98-Q100 PolarHBondContact OG1-OE1 3.12Å; T98-F106 HydrophobicContact CG2-CD2 3.96Å; T98-F106 HydrophobicContact CG2-CE2 3.82Å; T98-F106 WeakPolarHBondContact OG1-CD2 3.36Å; T98-F106 WeakPolarHBondContact OG1-CE2 2.98Å; T98-D108 WeakPolarHBondContact CB-O 3.44Å; T98-D108 PolarHBondContact OG1-O 3.37Å; T98-F363 HydrophobicContact CG2-CD2 4.5Å; T98-F363 HydrophobicContact CG2-CE2 4.31Å; T98-V366 HydrophobicContact CG2-CG1 3.94Å; T98-E370 PolarHBondContact N-OE1 3.01Å
99	P	95.3	Very high	94.7	Very high	5 Å²	5	38.4 Å²	38.4	3%	0.032	20%	0.195	C	C	.	.	S	Bend	trans	-64.9	-22.1	175	28.4	-36	0	0	0	112.3	P12 Y15 V26 Q101 Y110	P12-P99 HydrophobicContact CG-CB 4.08Å; P12-P99 WeakPolarHBondContact CG-O 3.14Å; Y15-P99 HydrophobicContact CD1-CB 3.89Å; Y15-P99 HydrophobicContact CE1-CB 3.78Å; V26-P99 HydrophobicContact CB-CB 4.12Å; V26-P99 HydrophobicContact CB-CG 4.08Å; V26-P99 HydrophobicContact CG1-CB 3.73Å; V26-P99 HydrophobicContact CG1-CG 4.25Å; P99-Q101 PolarHBondContact O-NE2 3.49Å; P99-Y110 HydrophobicContact CG-CE2 4.21Å
100	Q	94.6	Very high	94.7	Very high	32 Å²	32	38.3 Å²	38.3	15%	0.15	20%	0.195	C	C	.	.			trans	-79.6	136.8	-175.4	-65.4	102.2	20.3	0	0	112.6	T98 D105 Q107 D108 K367	T98-Q100 PolarHBondContact O-N 3.07Å; T98-Q100 PolarHBondContact OG1-N 2.9Å; T98-Q100 PolarHBondContact OG1-OE1 3.12Å; Q100-D105 HydrophobicContact CB-CB 4.21Å; Q100-D105 HydrophobicContact CG-CB 4.19Å; Q100-D105 WeakPolarHBondContact CG-O 3.31Å; Q100-Q107 VanDerWaalsContact OE1-N 3.11Å; Q100-D108 PolarHBondContact NE2-OD2 3.15Å; Q100-K367 WeakPolarHBondContact O-CE 3.03Å; Q100-K367 PolarHBondContact O-NZ 3.34Å; Q100-K367 VanDerWaalsContact O-NZ 3.16Å
101	Q	91.3	Very high	94.7	Very high	123 Å²	123	38.3 Å²	38.3	58%	0.575	19%	0.194	S	C	*	.			trans	-94.2	-21.6	-174.4	-60.5	-57.3	-50.1	0	0	113.3	P99	P99-Q101 PolarHBondContact O-NE2 3.49Å
102	T	93.7	Very high	94.8	Very high	63 Å²	63	38.1 Å²	38.1	39%	0.387	19%	0.194	S	C	.	.	S	Bend	trans	-119.4	151.8	-179.1	78.5	0	0	0	0	110.8	Q104 D105 F106	T102-Q104 PolarHBondContact O-N 3Å; T102-Q104 PolarHBondContact OG1-N 3.01Å; T102-D105 PolarHBondContact O-N 3Å; T102-D105 PolarHBondContact OG1-N 3.04Å; T102-D105 PolarHBondContact OG1-OD2 2.98Å; T102-F106 PolarHBondContact O-N 3.04Å; T102-F106 VanDerWaalsContact O-N 3.1Å
103	L	94.6	Very high	94.9	Very high	73 Å²	73	37.8 Å²	37.8	38%	0.382	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-33.8	172.7	176.3	58.5	0	0	0	111.8	D105 F106 K359 A360 F363	L103-D105 VanDerWaalsContact C-N 3.34Å; L103-D105 PolarHBondContact O-N 2.8Å; L103-F106 HydrophobicContact CD1-CD1 4.44Å; L103-F106 PolarHBondContact O-N 2.94Å; L103-K359 HydrophobicContact CD1-CG 3.97Å; L103-K359 WeakPolarHBondContact O-CE 3.23Å; L103-K359 PolarHBondContact O-NZ 2.81Å; L103-K359 VanDerWaalsContact O-NZ 3.11Å; L103-A360 HydrophobicContact CD1-CB 4.26Å; L103-A360 HydrophobicContact CD2-CB 3.8Å; L103-F363 HydrophobicContact CB-CD1 4.12Å; L103-F363 HydrophobicContact CB-CE1 4.33Å; L103-F363 HydrophobicContact CB-CG 4.47Å; L103-F363 HydrophobicContact CD1-CB 3.78Å; L103-F363 HydrophobicContact CD1-CD1 4.36Å; L103-F363 HydrophobicContact CD1-CG 4.08Å
104	Q	93.3	Very high	94.9	Very high	159 Å²	159	38.9 Å²	38.9	74%	0.743	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-46.2	179.5	-173.1	59.6	30.4	0	0	111	T102 K359	T102-Q104 PolarHBondContact O-N 3Å; T102-Q104 PolarHBondContact OG1-N 3.01Å; Q104-K359 PolarHBondContact O-NZ 3.11Å
105	D	92.9	Very high	94.9	Very high	90 Å²	90	39.7 Å²	39.7	48%	0.481	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-15.8	-176.4	-58	-44.6	0	0	0	113.6	Q100 T102 L103 Q107	Q100-D105 HydrophobicContact CB-CB 4.21Å; Q100-D105 HydrophobicContact CG-CB 4.19Å; Q100-D105 WeakPolarHBondContact CG-O 3.31Å; T102-D105 PolarHBondContact O-N 3Å; T102-D105 PolarHBondContact OG1-N 3.04Å; T102-D105 PolarHBondContact OG1-OD2 2.98Å; L103-D105 VanDerWaalsContact C-N 3.34Å; L103-D105 PolarHBondContact O-N 2.8Å; D105-Q107 WeakPolarHBondContact O-CG 3.47Å; D105-Q107 PolarHBondContact O-N 2.96Å
106	F	95.2	Very high	94.9	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.197	C	C	.	.			trans	-56.8	119.3	-173.9	178.7	-135.3	0	0	0	113.1	F66 T98 T102 L103 D108 V109 K359 I362 F363	F66-F106 HydrophobicContact CE1-CE1 4.14Å; F66-F106 AromaticContact CE2-CD1 3.88Å; F66-F106 HydrophobicContact CE2-CD1 3.88Å; F66-F106 AromaticContact CE2-CE1 3.87Å; F66-F106 HydrophobicContact CE2-CE1 3.87Å; F66-F106 HydrophobicContact CE2-CG 4.3Å; F66-F106 HydrophobicContact CE2-CZ 4.25Å; F66-F106 AromaticContact CZ-CD1 3.71Å; F66-F106 HydrophobicContact CZ-CD1 3.71Å; F66-F106 AromaticContact CZ-CE1 3.26Å; F66-F106 HydrophobicContact CZ-CE1 3.26Å; F66-F106 HydrophobicContact CZ-CE2 4.46Å; F66-F106 HydrophobicContact CZ-CG 4.49Å; F66-F106 AromaticContact CZ-CZ 3.72Å; F66-F106 HydrophobicContact CZ-CZ 3.72Å; T98-F106 HydrophobicContact CG2-CD2 3.96Å; T98-F106 HydrophobicContact CG2-CE2 3.82Å; T98-F106 WeakPolarHBondContact OG1-CD2 3.36Å; T98-F106 WeakPolarHBondContact OG1-CE2 2.98Å; T102-F106 PolarHBondContact O-N 3.04Å; T102-F106 VanDerWaalsContact O-N 3.1Å; L103-F106 HydrophobicContact CD1-CD1 4.44Å; L103-F106 PolarHBondContact O-N 2.94Å; F106-D108 WeakPolarHBondContact CE2-O 3.17Å; F106-V109 HydrophobicContact CE1-CG2 4.5Å; F106-V109 HydrophobicContact CE2-CG2 3.76Å; F106-V109 HydrophobicContact CZ-CG2 3.48Å; F106-V109 VanDerWaalsContact CZ-CG2 3.48Å; F106-K359 HydrophobicContact CD1-CD 4.48Å; F106-K359 HydrophobicContact CD1-CG 3.7Å; F106-K359 HydrophobicContact CE1-CG 4.29Å; F106-K359 WeakPolarHBondContact O-CE 3.49Å; F106-K359 PolarHBondContact O-NZ 2.84Å; F106-I362 HydrophobicContact CE1-CB 4.15Å; F106-I362 HydrophobicContact CE1-CG2 3.99Å; F106-I362 HydrophobicContact CZ-CB 4.47Å; F106-I362 HydrophobicContact CZ-CG2 3.81Å; F106-F363 HydrophobicContact CB-CD2 3.73Å; F106-F363 HydrophobicContact CB-CE2 4.13Å; F106-F363 HydrophobicContact CD1-CB 3.61Å; F106-F363 AromaticContact CD1-CD2 3.68Å; F106-F363 HydrophobicContact CD1-CD2 3.68Å; F106-F363 HydrophobicContact CD1-CG 4.07Å; F106-F363 AromaticContact CD2-CD2 3.81Å; F106-F363 HydrophobicContact CD2-CD2 3.81Å; F106-F363 HydrophobicContact CD2-CE2 4.4Å; F106-F363 HydrophobicContact CE1-CB 3.63Å; F106-F363 HydrophobicContact CE1-CD2 4.12Å; F106-F363 HydrophobicContact CE1-CG 4.39Å; F106-F363 HydrophobicContact CE2-CD2 4.25Å; F106-F363 HydrophobicContact CG-CB 4.32Å; F106-F363 AromaticContact CG-CD2 3.49Å; F106-F363 HydrophobicContact CG-CD2 3.49Å; F106-F363 VanDerWaalsContact CG-CD2 3.49Å; F106-F363 HydrophobicContact CG-CE2 4.25Å; F106-F363 HydrophobicContact CG-CG 4.31Å; F106-F363 HydrophobicContact CZ-CB 4.38Å; F106-F363 HydrophobicContact CZ-CD2 4.37Å
107	Q	93.5	Very high	94.8	Very high	126 Å²	126	43 Å²	43	59%	0.589	21%	0.214	S	C	*	.			trans	-141.6	-31.7	-176.4	-73.4	-179.3	19.2	0	0	112.8	Q100 D105	Q100-Q107 VanDerWaalsContact OE1-N 3.11Å; D105-Q107 WeakPolarHBondContact O-CG 3.47Å; D105-Q107 PolarHBondContact O-N 2.96Å
108	D	94.5	Very high	94.6	Very high	31 Å²	31	44 Å²	44	17%	0.166	22%	0.222	C	C	.	.			trans	-109.7	133.9	-176.4	-59	-67.8	0	0	0	110.8	K61 T98 Q100 F106 Y110	K61-D108 WeakPolarHBondContact CE-OD1 3.5Å; K61-D108 IonicContact NZ-OD1 2.92Å; K61-D108 PolarHBondContact NZ-OD1 3.02Å; T98-D108 WeakPolarHBondContact CB-O 3.44Å; T98-D108 PolarHBondContact OG1-O 3.37Å; Q100-D108 PolarHBondContact NE2-OD2 3.15Å; F106-D108 WeakPolarHBondContact CE2-O 3.17Å; D108-Y110 HydrophobicContact CB-CD2 4.25Å; D108-Y110 HydrophobicContact CB-CE2 3.54Å
109	V	95.6	Very high	94.5	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.006	23%	0.234	C	C	.	.			trans	-119.9	126.4	171.2	-177.7	0	0	0	0	107.8	L62 P65 F66 F106 L111 I362 V366	L62-V109 HydrophobicContact CB-CB 4.4Å; L62-V109 HydrophobicContact CD1-CB 3.9Å; L62-V109 HydrophobicContact CD1-CG1 3.93Å; L62-V109 HydrophobicContact CG-CB 4.15Å; L62-V109 HydrophobicContact CG-CG1 4.36Å; L62-V109 PolarHBondContact N-O 3.39Å; P65-V109 HydrophobicContact CG-CG2 4.31Å; F66-V109 HydrophobicContact CZ-CG2 4.17Å; F106-V109 HydrophobicContact CE1-CG2 4.5Å; F106-V109 HydrophobicContact CE2-CG2 3.76Å; F106-V109 HydrophobicContact CZ-CG2 3.48Å; F106-V109 VanDerWaalsContact CZ-CG2 3.48Å; V109-L111 HydrophobicContact CG1-CD2 4.03Å; V109-I362 HydrophobicContact CG2-CG2 4.02Å; V109-V366 HydrophobicContact CG1-CG2 4.37Å
110	Y	96.8	Very high	94.4	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	127	176.5	-64.8	-94	0	0	0	109.4	F25 V26 V27 I59 K60 K61 A96 F97 P99 D108	F25-Y110 HydrophobicContact CD1-CD1 4.25Å; F25-Y110 AromaticContact CD1-CE1 3.64Å; F25-Y110 HydrophobicContact CD1-CE1 3.64Å; F25-Y110 HydrophobicContact CE1-CD1 4.46Å; F25-Y110 HydrophobicContact CE1-CE1 4.09Å; F25-Y110 HydrophobicContact CG-CE1 4.43Å; V26-Y110 PolarHBondContact N-OH 2.92Å; V26-Y110 VanDerWaalsContact N-OH 3.16Å; V27-Y110 HydrophobicContact CG1-CD1 4.28Å; V27-Y110 HydrophobicContact CG1-CE1 4.09Å; I59-Y110 HydrophobicContact CG2-CD1 4Å; K60-Y110 WeakPolarHBondContact O-CA 3.49Å; K61-Y110 HydrophobicContact CB-CD1 3.9Å; K61-Y110 HydrophobicContact CB-CE1 3.7Å; K61-Y110 HydrophobicContact CD-CE1 3.74Å; K61-Y110 WeakPolarHBondContact CD-OH 3.06Å; K61-Y110 VanDerWaalsContact CE-OH 3.25Å; K61-Y110 WeakPolarHBondContact CE-OH 3.38Å; K61-Y110 HydrophobicContact CG-CD1 4.09Å; K61-Y110 HydrophobicContact CG-CE1 3.59Å; K61-Y110 PolarHBondContact NZ-OH 2.94Å; A96-Y110 CarbonylContact C-O 3.59Å; A96-Y110 VanDerWaalsContact CA-O 3.23Å; A96-Y110 WeakPolarHBondContact CA-O 3.46Å; F97-Y110 AromaticContact CD2-CD2 3.89Å; F97-Y110 HydrophobicContact CD2-CD2 3.89Å; F97-Y110 HydrophobicContact CD2-CG 4.05Å; F97-Y110 HydrophobicContact CE1-CG 4.35Å; F97-Y110 VanDerWaalsContact CE2-CB 3.47Å; F97-Y110 HydrophobicContact CE2-CD1 4.06Å; F97-Y110 AromaticContact CE2-CD2 3.49Å; F97-Y110 HydrophobicContact CE2-CD2 3.49Å; F97-Y110 VanDerWaalsContact CE2-CD2 3.49Å; F97-Y110 HydrophobicContact CE2-CE2 4.22Å; F97-Y110 AromaticContact CE2-CG 3.4Å; F97-Y110 HydrophobicContact CE2-CG 3.4Å; F97-Y110 AromaticContact CZ-CD1 3.97Å; F97-Y110 HydrophobicContact CZ-CD1 3.97Å; F97-Y110 HydrophobicContact CZ-CD2 4.18Å; F97-Y110 AromaticContact CZ-CG 3.59Å; F97-Y110 HydrophobicContact CZ-CG 3.59Å; F97-Y110 PolarHBondContact N-O 3.42Å; F97-Y110 PolarHBondContact O-N 3.35Å; P99-Y110 HydrophobicContact CG-CE2 4.21Å; D108-Y110 HydrophobicContact CB-CD2 4.25Å; D108-Y110 HydrophobicContact CB-CE2 3.54Å
111	L	95.8	Very high	94.3	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	126.8	175.1	-52.9	-179.1	0	0	0	108.5	I59 K60 L62 E78 F79 M82 L93 A96 V109	I59-L111 CarbonylContact C-O 3.59Å; I59-L111 WeakPolarHBondContact CA-O 3.31Å; K60-L111 HydrophobicContact CB-CB 4.46Å; K60-L111 PolarHBondContact N-O 3.28Å; K60-L111 PolarHBondContact O-N 2.95Å; L62-L111 HydrophobicContact CD2-CD1 4.14Å; E78-L111 HydrophobicContact CG-CD1 4.27Å; F79-L111 HydrophobicContact CD2-CD2 3.55Å; F79-L111 HydrophobicContact CE2-CD2 4.04Å; F79-L111 HydrophobicContact CG-CD2 4.45Å; M82-L111 HydrophobicContact SD-CD1 3.88Å; L93-L111 HydrophobicContact CD1-CB 4.09Å; L93-L111 HydrophobicContact CD1-CD2 4.28Å; A96-L111 HydrophobicContact CB-CD2 3.92Å; V109-L111 HydrophobicContact CG1-CD2 4.03Å
112	V	96.7	Very high	94.3	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	125.1	179.8	-172.4	0	0	0	0	108.2	Y31 V57 A58 I59 L94 N95 F97	Y31-V112 HydrophobicContact CE1-CG1 3.94Å; Y31-V112 HydrophobicContact CE1-CG2 4.38Å; Y31-V112 HydrophobicContact CE2-CG2 4.2Å; V57-V112 HydrophobicContact CB-CG1 3.77Å; V57-V112 HydrophobicContact CG1-CG1 4.16Å; V57-V112 HydrophobicContact CG2-CG1 3.8Å; A58-V112 CarbonylContact O-C 3.39Å; A58-V112 WeakPolarHBondContact O-CA 3.25Å; I59-V112 HydrophobicContact CG1-CG1 4.31Å; I59-V112 HydrophobicContact CG1-CG2 4.2Å; I59-V112 HydrophobicContact CG2-CG2 4.44Å; L94-V112 HydrophobicContact CB-CG1 4.46Å; L94-V112 PolarHBondContact N-O 3.04Å; N95-V112 HydrophobicContact CB-CB 3.84Å; N95-V112 HydrophobicContact CB-CG2 3.96Å; N95-V112 PolarHBondContact N-O 3.47Å; N95-V112 WeakPolarHBondContact O-CA 3.23Å; N95-V112 WeakPolarHBondContact O-CB 3.39Å; N95-V112 PolarHBondContact O-N 3.48Å; F97-V112 HydrophobicContact CD1-CG2 3.97Å; F97-V112 HydrophobicContact CE1-CG2 3.59Å
113	M	95.6	Very high	94.2	Very high	17 Å²	17	43.8 Å²	43.8	8%	0.084	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	167	-173.8	-60.2	171.6	-63.8	0	0	109.8	V57 A58 K60 M82 I91 S92	V57-M113 WeakPolarHBondContact CA-O 3.43Å; V57-M113 WeakPolarHBondContact CB-O 3.4Å; A58-M113 HydrophobicContact CB-CE 4.35Å; A58-M113 PolarHBondContact N-O 2.91Å; A58-M113 PolarHBondContact O-N 2.92Å; K60-M113 HydrophobicContact CB-CE 3.95Å; M82-M113 HydrophobicContact CE-CG 3.56Å; M82-M113 HydrophobicContact CE-SD 3.51Å; M82-M113 VanDerWaalsContact CE-SD 3.51Å; I91-M113 HydrophobicContact CD1-CB 4.36Å; I91-M113 HydrophobicContact CG1-CB 3.92Å; I91-M113 HydrophobicContact CG1-CG 4.24Å; I91-M113 HydrophobicContact CG1-SD 4.16Å; S92-M113 WeakPolarHBondContact O-CA 3.44Å
114	E	94.5	Very high	94	Very high	47 Å²	47	40.6 Å²	40.6	22%	0.22	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.7	139.7	168.5	-59.1	170.3	110.6	0	0	110.6	I91 S92 L94 K171	I91-E114 HydrophobicContact CD1-CB 3.94Å; S92-E114 WeakPolarHBondContact CB-OE2 3.46Å; S92-E114 PolarHBondContact N-OE2 3.47Å; S92-E114 PolarHBondContact OG-OE2 3.08Å; L94-E114 HydrophobicContact CD1-CG 4.16Å; L94-E114 HydrophobicContact CD2-CG 4.05Å; L94-E114 HydrophobicContact CG-CG 4.21Å; E114-K171 IonicContact OE1-NZ 2.62Å; E114-K171 WeakPolarHBondContact OE2-CD 3.31Å; E114-K171 WeakPolarHBondContact OE2-CE 3.18Å; E114-K171 IonicContact OE2-NZ 2.7Å; E114-K171 PolarHBondContact OE2-NZ 3.18Å
115	F	95.4	Very high	93.6	Very high	53 Å²	53	38.5 Å²	38.5	23%	0.232	20%	0.201	C	C	.	.			trans	-77.5	138.6	172.2	-175.9	-103.3	0	0	0	110.6	I37 A47 D56	I37-F115 HydrophobicContact CD1-CE2 4.22Å; I37-F115 HydrophobicContact CG2-CE2 4.41Å; A47-F115 HydrophobicContact CB-CD2 3.97Å; A47-F115 HydrophobicContact CB-CE2 3.58Å; A47-F115 HydrophobicContact CB-CZ 4.45Å; D56-F115 HydrophobicContact CB-CB 3.99Å; D56-F115 HydrophobicContact CB-CD1 4.15Å; D56-F115 HydrophobicContact CB-CG 4.07Å; D56-F115 WeakPolarHBondContact O-CB 3.34Å
116	M	95.3	Very high	93.3	Very high	16 Å²	16	39.2 Å²	39.2	8%	0.079	20%	0.204	C	C	.	.			trans	-133.2	146.8	-179.2	-58.8	-69.2	-70	0	0	108.7	I91 V163 K165 K171	I91-M116 HydrophobicContact CD1-CG 4.23Å; M116-V163 HydrophobicContact CB-CB 3.7Å; M116-V163 HydrophobicContact CB-CG1 4.4Å; M116-V163 HydrophobicContact CB-CG2 3.91Å; M116-V163 HydrophobicContact CE-CB 4.35Å; M116-V163 HydrophobicContact CE-CG2 4.04Å; M116-V163 WeakPolarHBondContact CE-O 3.25Å; M116-V163 HydrophobicContact CG-CB 3.97Å; M116-V163 HydrophobicContact CG-CG2 3.57Å; M116-K165 HydrophobicContact CE-CG 3.7Å; M116-K165 HydrophobicContact SD-CD 4.23Å; M116-K165 VanDerWaalsContact SD-CE 3.53Å; M116-K165 HydrophobicContact SD-CG 3.71Å; M116-K171 HydrophobicContact CE-CB 4.17Å; M116-K171 HydrophobicContact CE-CD 4.18Å; M116-K171 HydrophobicContact CE-CG 4.29Å; M116-K171 HydrophobicContact SD-CD 4Å
117	D	92.7	Very high	92.9	Very high	65 Å²	65	46.2 Å²	46.2	35%	0.348	24%	0.241	S	C	.	.	S	Bend	trans	-76.7	-40.7	-166.2	-60.5	-46.9	0	0	0	113	V164 K165 H166	D117-V164 PolarHBondContact N-O 3.37Å; D117-K165 WeakPolarHBondContact OD2-CA 3.41Å; D117-K165 WeakPolarHBondContact OD2-CB 3.37Å; D117-H166 IonicContact OD1-CD2 3.91Å; D117-H166 IonicContact OD1-NE2 3.31Å; D117-H166 IonicContact OD2-CD2 3.49Å; D117-H166 PolarHBondContact OD2-CD2 3.11Å; D117-H166 IonicContact OD2-CG 3.13Å; D117-H166 PolarHBondContact OD2-N 3.02Å; D117-H166 IonicContact OD2-NE2 2.76Å
118	A	92.6	Very high	92.9	Very high	24 Å²	24	41.4 Å²	41.4	20%	0.198	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	165	-177.6	0	0	0	0	0	111.7	Q122 V123 V163 V164	A118-Q122 HydrophobicContact CB-CB 4.23Å; A118-V123 HydrophobicContact CB-CG2 4.23Å; A118-V163 CarbonylContact O-C 3.55Å; A118-V163 VanDerWaalsContact O-CA 3.27Å; A118-V163 WeakPolarHBondContact O-CA 3.41Å; A118-V163 WeakPolarHBondContact O-CB 3.44Å; A118-V164 PolarHBondContact N-O 3.07Å; A118-V164 VanDerWaalsContact N-O 3.1Å; A118-V164 PolarHBondContact O-N 3.2Å
119	N	93.6	Very high	92.9	Very high	45 Å²	45	42.4 Å²	42.4	24%	0.241	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	165.3	162.2	63.2	54.6	0	0	0	111.2	C121 Q122 V123 I162 V163	N119-C121 PolarHBondContact O-N 3.44Å; N119-C121 WeakPolarHBondContact OD1-CB 2.94Å; N119-C121 PolarHBondContact OD1-N 2.92Å; N119-C121 VanDerWaalsContact OD1-N 3.12Å; N119-Q122 WeakPolarHBondContact O-CB 3.45Å; N119-Q122 PolarHBondContact O-N 3.04Å; N119-Q122 PolarHBondContact OD1-N 3.02Å; N119-V123 PolarHBondContact O-N 3.37Å; N119-I162 CarbonylContact C-O 3.56Å; N119-I162 WeakPolarHBondContact CA-O 3.39Å; N119-I162 WeakPolarHBondContact CB-O 3.47Å; N119-V163 HydrophobicContact CB-CG1 4.15Å
120	L	94.5	Very high	93	Very high	2 Å²	2	42.4 Å²	42.4	1%	0.01	23%	0.225	C	C	.	.	H	α-helix	trans	-65.1	-22.9	-175.6	-168.8	67.7	0	0	0	112.4	Q122 V123 I124 L136 P159 I162 V164 I219 M223	L120-Q122 PolarHBondContact O-N 2.7Å; L120-V123 HydrophobicContact CD1-CB 4.1Å; L120-V123 HydrophobicContact CD1-CG1 4.15Å; L120-V123 PolarHBondContact O-N 3.42Å; L120-I124 HydrophobicContact CG-CD1 4.04Å; L120-I124 HydrophobicContact CG-CG1 4.12Å; L120-I124 WeakPolarHBondContact O-CB 3.35Å; L120-I124 WeakPolarHBondContact O-CD1 3.49Å; L120-I124 WeakPolarHBondContact O-CG1 3.41Å; L120-I124 PolarHBondContact O-N 2.96Å; L120-L136 HydrophobicContact CD1-CD1 4.28Å; L120-P159 HydrophobicContact CB-CB 3.93Å; L120-P159 WeakPolarHBondContact CB-O 3.5Å; L120-P159 HydrophobicContact CD2-CB 4.35Å; L120-P159 HydrophobicContact CG-CB 4.26Å; L120-P159 PolarHBondContact N-O 3.33Å; L120-P159 VanDerWaalsContact N-O 3.14Å; L120-I162 HydrophobicContact CB-CB 3.99Å; L120-I162 HydrophobicContact CB-CG2 4.01Å; L120-I162 HydrophobicContact CD2-CB 4.3Å; L120-I162 HydrophobicContact CD2-CD1 4Å; L120-I162 HydrophobicContact CD2-CG2 4.13Å; L120-I162 PolarHBondContact N-O 3.36Å; L120-V164 HydrophobicContact CD1-CG2 4.39Å; L120-I219 HydrophobicContact CD2-CG2 3.35Å; L120-M223 HydrophobicContact CD2-SD 4.45Å
121	C	91.9	Very high	93	Very high	47 Å²	47	44.2 Å²	44.2	32%	0.318	23%	0.233	S	C	.	.	H	α-helix	trans	-58.7	-36	171.6	-57.9	0	0	0	0	112	N119 N125 S160	N119-C121 PolarHBondContact O-N 3.44Å; N119-C121 WeakPolarHBondContact OD1-CB 2.94Å; N119-C121 PolarHBondContact OD1-N 2.92Å; N119-C121 VanDerWaalsContact OD1-N 3.12Å; C121-N125 PolarHBondContact O-ND2 3.4Å; C121-S160 PolarHBondContact SG-N 3.42Å; C121-S160 VanDerWaalsContact SG-N 3.43Å
122	Q	91	Very high	93	Very high	110 Å²	110	49.9 Å²	49.9	51%	0.514	26%	0.255	S	S	.	.	H	α-helix	trans	-78.6	-36.5	178.9	-62.7	167.9	-69.7	0	0	111	A118 N119 L120 N125	A118-Q122 HydrophobicContact CB-CB 4.23Å; N119-Q122 WeakPolarHBondContact O-CB 3.45Å; N119-Q122 PolarHBondContact O-N 3.04Å; N119-Q122 PolarHBondContact OD1-N 3.02Å; L120-Q122 PolarHBondContact O-N 2.7Å; Q122-N125 PolarHBondContact O-N 2.9Å
123	V	92.3	Very high	93	Very high	14 Å²	14	50.2 Å²	50.2	9%	0.085	26%	0.257	C	S	.	.	H	α-helix	trans	-72.4	-34.1	-178.3	176.5	0	0	0	0	112.5	A118 N119 L120 N125 L126 L128 L136 V164	A118-V123 HydrophobicContact CB-CG2 4.23Å; N119-V123 PolarHBondContact O-N 3.37Å; L120-V123 HydrophobicContact CD1-CB 4.1Å; L120-V123 HydrophobicContact CD1-CG1 4.15Å; L120-V123 PolarHBondContact O-N 3.42Å; V123-N125 PolarHBondContact O-N 3.33Å; V123-L126 HydrophobicContact CG1-CD1 4.44Å; V123-L126 VanDerWaalsContact O-CB 3.25Å; V123-L126 WeakPolarHBondContact O-CB 3.43Å; V123-L126 PolarHBondContact O-N 3.24Å; V123-L128 HydrophobicContact CG1-CD1 4.2Å; V123-L128 HydrophobicContact CG1-CD2 4.03Å; V123-L136 HydrophobicContact CG1-CD1 4.14Å; V123-V164 HydrophobicContact CG2-CB 4.14Å; V123-V164 HydrophobicContact CG2-CG2 4.28Å
124	I	90.4	Very high	93.1	Very high	5 Å²	5	49.4 Å²	49.4	3%	0.026	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-29	176.2	-76.5	161.2	0	0	0	112.3	L120 L126 P159 E222 M223	L120-I124 HydrophobicContact CG-CD1 4.04Å; L120-I124 HydrophobicContact CG-CG1 4.12Å; L120-I124 WeakPolarHBondContact O-CB 3.35Å; L120-I124 WeakPolarHBondContact O-CD1 3.49Å; L120-I124 WeakPolarHBondContact O-CG1 3.41Å; L120-I124 PolarHBondContact O-N 2.96Å; I124-L126 PolarHBondContact O-N 3.48Å; I124-P159 HydrophobicContact CD1-CB 3.8Å; I124-P159 HydrophobicContact CD1-CG 3.78Å; I124-E222 HydrophobicContact CD1-CB 4.42Å; I124-E222 HydrophobicContact CD1-CG 3.99Å; I124-E222 HydrophobicContact CG2-CG 4.22Å; I124-M223 HydrophobicContact CD1-CG 4.28Å; I124-M223 HydrophobicContact CG1-CG 3.69Å
125	N	84	Confident	93.3	Very high	116 Å²	116	50.3 Å²	50.3	62%	0.62	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	6.4	178.2	-63.2	-70.2	0	0	0	113	C121 Q122 V123	C121-N125 PolarHBondContact O-ND2 3.4Å; Q122-N125 PolarHBondContact O-N 2.9Å; V123-N125 PolarHBondContact O-N 3.33Å
126	L	88.3	Confident	93.4	Very high	104 Å²	104	47.9 Å²	47.9	55%	0.545	24%	0.244	S	C	.	.	S	Bend	trans	-95.7	147.9	171.9	-54.5	177.3	0	0	0	108.7	V123 I124 L128	V123-L126 HydrophobicContact CG1-CD1 4.44Å; V123-L126 VanDerWaalsContact O-CB 3.25Å; V123-L126 WeakPolarHBondContact O-CB 3.43Å; V123-L126 PolarHBondContact O-N 3.24Å; I124-L126 PolarHBondContact O-N 3.48Å; L126-L128 PolarHBondContact O-N 3.05Å
127	D	86.9	Confident	93.5	Very high	147 Å²	147	47.2 Å²	47.2	79%	0.786	24%	0.241	S	C	*	.			trans	-66.4	92.7	173.6	-62.9	-37.5	0	0	0	109.9
128	L	92.2	Very high	93.8	Very high	26 Å²	26	44.2 Å²	44.2	14%	0.136	23%	0.225	C	C	.	.			trans	-88	126.2	176.4	-61.4	177.8	0	0	0	110	V123 L126 R132 T133 L136 M223	V123-L128 HydrophobicContact CG1-CD1 4.2Å; V123-L128 HydrophobicContact CG1-CD2 4.03Å; L126-L128 PolarHBondContact O-N 3.05Å; L128-R132 HydrophobicContact CD2-CB 4.14Å; L128-T133 WeakPolarHBondContact CB-OG1 3.26Å; L128-L136 HydrophobicContact CD1-CD1 4.16Å; L128-M223 HydrophobicContact CD1-CE 3.53Å
129	D	95.7	Very high	94.1	Very high	51 Å²	51	43.2 Å²	43.2	27%	0.273	22%	0.216	S	C	.	.			trans	-76.2	175.8	167	54.1	30	0	0	0	111.2	E131 R132 T133	D129-E131 VanDerWaalsContact C-N 3.29Å; D129-E131 PolarHBondContact O-N 3.12Å; D129-E131 PolarHBondContact OD1-N 3.39Å; D129-R132 VanDerWaalsContact OD1-CB 3.23Å; D129-R132 WeakPolarHBondContact OD1-CB 3.44Å; D129-R132 WeakPolarHBondContact OD1-CD 3.34Å; D129-R132 WeakPolarHBondContact OD1-CG 3.48Å; D129-R132 PolarHBondContact OD1-N 2.69Å; D129-R132 IonicContact OD2-CZ 3.31Å; D129-R132 IonicContact OD2-NE 2.9Å; D129-T133 VanDerWaalsContact O-CB 3.31Å; D129-T133 WeakPolarHBondContact O-CB 3.43Å; D129-T133 PolarHBondContact O-N 3.5Å; D129-T133 PolarHBondContact O-OG1 3.21Å
130	H	97.2	Very high	94.3	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.005	21%	0.206	C	C	.	.	H	α-helix	trans	-64.9	-36	179.5	-83.3	-63.9	0	0	0	111.8	S134 F285 P286 P287 L295 N296 A297 Y326	H130-S134 WeakPolarHBondContact O-CB 3.18Å; H130-S134 PolarHBondContact O-N 3.17Å; H130-F285 AromaticContact CE1-CD1 3.87Å; H130-P286 HydrophobicContact CB-CG 4.49Å; H130-P286 PolarHBondContact NE2-O 3.25Å; H130-P287 PolarHBondContact CD2-O 3.05Å; H130-L295 HydrophobicContact CB-CB 3.96Å; H130-N296 WeakPolarHBondContact NE2-CA 3.24Å; H130-A297 PolarHBondContact CE1-N 3.31Å; H130-A297 PolarHBondContact NE2-N 3Å; H130-Y326 HydrophobicContact CB-CE2 4.39Å; H130-Y326 AromaticContact ND1-CE2 3.42Å; H130-Y326 WeakPolarHBondContact ND1-CE2 3.46Å; H130-Y326 AromaticContact ND1-CZ 3.53Å; H130-Y326 PolarHBondContact ND1-OH 3.22Å
131	E	97	Very high	94.5	Very high	38 Å²	38	41.2 Å²	41.2	18%	0.178	21%	0.205	C	C	.	.	H	α-helix	trans	-59.1	-55	178.2	-66.8	83.9	164.6	0	0	111.3	D129 S134 Y135 S289 L295 W330	D129-E131 VanDerWaalsContact C-N 3.29Å; D129-E131 PolarHBondContact O-N 3.12Å; D129-E131 PolarHBondContact OD1-N 3.39Å; E131-S134 PolarHBondContact O-N 3.35Å; E131-Y135 VanDerWaalsContact O-CB 3.25Å; E131-Y135 WeakPolarHBondContact O-CB 3.45Å; E131-Y135 PolarHBondContact O-N 3.19Å; E131-S289 WeakPolarHBondContact OE1-CA 3.34Å; E131-S289 WeakPolarHBondContact OE1-CB 3.3Å; E131-S289 PolarHBondContact OE1-OG 2.94Å; E131-L295 HydrophobicContact CB-CD1 4.37Å; E131-L295 HydrophobicContact CG-CD1 3.91Å; E131-W330 HydrophobicContact CB-CZ2 4.29Å
132	R	95.7	Very high	94.8	Very high	119 Å²	119	39 Å²	39	45%	0.449	19%	0.19	S	C	.	.	H	α-helix	trans	-65.1	-43.2	178.9	-69.7	169.8	-177.6	158.3	6.9	111.5	L128 D129 Y135 L136	L128-R132 HydrophobicContact CD2-CB 4.14Å; D129-R132 VanDerWaalsContact OD1-CB 3.23Å; D129-R132 WeakPolarHBondContact OD1-CB 3.44Å; D129-R132 WeakPolarHBondContact OD1-CD 3.34Å; D129-R132 WeakPolarHBondContact OD1-CG 3.48Å; D129-R132 PolarHBondContact OD1-N 2.69Å; D129-R132 IonicContact OD2-CZ 3.31Å; D129-R132 IonicContact OD2-NE 2.9Å; R132-Y135 PolarHBondContact O-N 2.68Å; R132-L136 WeakPolarHBondContact O-CB 3.37Å; R132-L136 VanDerWaalsContact O-CG 3.22Å; R132-L136 WeakPolarHBondContact O-CG 3.39Å; R132-L136 PolarHBondContact O-N 3.1Å
133	T	96.8	Very high	95	Very high	7 Å²	7	33.8 Å²	33.8	4%	0.043	17%	0.166	C	C	.	.	H	α-helix	trans	-59.7	-50.3	178.5	-61.8	0	0	0	0	110.9	L128 D129 L136 L137 F220 M223	L128-T133 WeakPolarHBondContact CB-OG1 3.26Å; D129-T133 VanDerWaalsContact O-CB 3.31Å; D129-T133 WeakPolarHBondContact O-CB 3.43Å; D129-T133 PolarHBondContact O-N 3.5Å; D129-T133 PolarHBondContact O-OG1 3.21Å; T133-L136 PolarHBondContact O-N 3.33Å; T133-L137 HydrophobicContact CG2-CD1 4.16Å; T133-L137 VanDerWaalsContact O-CG 3.3Å; T133-L137 WeakPolarHBondContact O-CG 3.34Å; T133-L137 PolarHBondContact O-N 2.94Å; T133-L137 VanDerWaalsContact O-N 3.07Å; T133-F220 HydrophobicContact CG2-CD2 4.1Å; T133-F220 HydrophobicContact CG2-CE2 3.65Å; T133-M223 HydrophobicContact CG2-CE 3.9Å
134	S	98	Very high	95.3	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-61	-44.5	177.5	172	0	0	0	0	111.9	H130 E131 L136 L137 Y138 Y326 W330	H130-S134 WeakPolarHBondContact O-CB 3.18Å; H130-S134 PolarHBondContact O-N 3.17Å; E131-S134 PolarHBondContact O-N 3.35Å; S134-L136 PolarHBondContact O-N 3.17Å; S134-L137 PolarHBondContact O-N 3.12Å; S134-Y138 WeakPolarHBondContact O-CB 3.35Å; S134-Y138 PolarHBondContact O-N 3.1Å; S134-Y326 WeakPolarHBondContact CB-O 3.31Å; S134-Y326 PolarHBondContact OG-O 2.81Å; S134-W330 VanDerWaalsContact OG-CD1 3.32Å; S134-W330 PolarHBondContact OG-NE1 3.24Å
135	Y	97.5	Very high	95.6	Very high	66 Å²	66	34 Å²	34	26%	0.259	17%	0.165	S	C	.	.	H	α-helix	trans	-65.9	-37.8	-179.4	-175.7	-122.6	0	0	0	112.9	E131 R132 Y138 Q139 C168 W330	E131-Y135 VanDerWaalsContact O-CB 3.25Å; E131-Y135 WeakPolarHBondContact O-CB 3.45Å; E131-Y135 PolarHBondContact O-N 3.19Å; R132-Y135 PolarHBondContact O-N 2.68Å; Y135-Y138 HydrophobicContact CD2-CD1 4.28Å; Y135-Y138 HydrophobicContact CE2-CD1 4.33Å; Y135-Q139 HydrophobicContact CE2-CG 4.37Å; Y135-Q139 WeakPolarHBondContact O-CG 2.92Å; Y135-Q139 PolarHBondContact O-N 3.49Å; Y135-Q139 VanDerWaalsContact O-N 3.16Å; Y135-Q139 PolarHBondContact O-NE2 3.45Å; Y135-C168 HydrophobicContact CD1-CB 4.07Å; Y135-C168 HydrophobicContact CE1-CB 4.22Å; Y135-W330 HydrophobicContact CD2-CB 4.4Å; Y135-W330 AromaticContact CD2-CD2 3.84Å; Y135-W330 HydrophobicContact CD2-CD2 3.84Å; Y135-W330 HydrophobicContact CD2-CE3 4.15Å; Y135-W330 AromaticContact CD2-CG 3.94Å; Y135-W330 HydrophobicContact CD2-CG 3.94Å; Y135-W330 HydrophobicContact CG-CD2 4.5Å
136	L	97.7	Very high	96	Very high	2 Å²	2	28.7 Å²	28.7	1%	0.01	14%	0.137	C	C	.	.	H	α-helix	trans	-64.7	-43.4	172.9	-68.8	170.3	0	0	0	111.1	L120 V123 L128 R132 T133 S134 Q139 V140 V164 C168 L170 M223	L120-L136 HydrophobicContact CD1-CD1 4.28Å; V123-L136 HydrophobicContact CG1-CD1 4.14Å; L128-L136 HydrophobicContact CD1-CD1 4.16Å; R132-L136 WeakPolarHBondContact O-CB 3.37Å; R132-L136 VanDerWaalsContact O-CG 3.22Å; R132-L136 WeakPolarHBondContact O-CG 3.39Å; R132-L136 PolarHBondContact O-N 3.1Å; T133-L136 PolarHBondContact O-N 3.33Å; S134-L136 PolarHBondContact O-N 3.17Å; L136-Q139 PolarHBondContact O-N 2.85Å; L136-V140 WeakPolarHBondContact O-CG2 3.46Å; L136-V140 PolarHBondContact O-N 3.43Å; L136-V164 HydrophobicContact CD2-CG1 3.8Å; L136-V164 HydrophobicContact CD2-CG2 4.18Å; L136-C168 HydrophobicContact CD2-CB 4.46Å; L136-L170 HydrophobicContact CB-CD1 4.23Å; L136-L170 HydrophobicContact CD2-CB 4.25Å; L136-L170 HydrophobicContact CD2-CD1 3.81Å; L136-M223 HydrophobicContact CB-CE 4.2Å; L136-M223 HydrophobicContact CD1-CE 3.78Å
137	L	98.2	Very high	96.3	Very high	3 Å²	3	23.8 Å²	23.8	2%	0.016	11%	0.111	C	C	.	.	H	α-helix	trans	-65	-42.6	177.3	-69.2	168.9	0	0	0	112.5	T133 S134 Q139 V140 L141 V216 F220 M223 Y326 I327	T133-L137 HydrophobicContact CG2-CD1 4.16Å; T133-L137 VanDerWaalsContact O-CG 3.3Å; T133-L137 WeakPolarHBondContact O-CG 3.34Å; T133-L137 PolarHBondContact O-N 2.94Å; T133-L137 VanDerWaalsContact O-N 3.07Å; S134-L137 PolarHBondContact O-N 3.12Å; L137-Q139 VanDerWaalsContact C-N 3.32Å; L137-Q139 PolarHBondContact O-N 3.07Å; L137-V140 PolarHBondContact O-N 3.4Å; L137-L141 WeakPolarHBondContact O-CB 3.33Å; L137-L141 VanDerWaalsContact O-CG 3.31Å; L137-L141 WeakPolarHBondContact O-CG 3.1Å; L137-L141 PolarHBondContact O-N 2.66Å; L137-V216 HydrophobicContact CD2-CG1 4.18Å; L137-F220 HydrophobicContact CD1-CB 4.31Å; L137-F220 HydrophobicContact CD1-CD1 3.75Å; L137-F220 HydrophobicContact CD1-CD2 3.49Å; L137-F220 VanDerWaalsContact CD1-CD2 3.49Å; L137-F220 HydrophobicContact CD1-CE1 3.84Å; L137-F220 HydrophobicContact CD1-CE2 3.6Å; L137-F220 HydrophobicContact CD1-CG 3.58Å; L137-F220 HydrophobicContact CD1-CZ 3.75Å; L137-F220 HydrophobicContact CD2-CB 3.8Å; L137-F220 HydrophobicContact CD2-CD2 4.37Å; L137-F220 HydrophobicContact CD2-CG 4.02Å; L137-F220 HydrophobicContact CG-CD2 4.43Å; L137-F220 HydrophobicContact CG-CG 4.43Å; L137-M223 HydrophobicContact CD2-SD 4.43Å; L137-Y326 HydrophobicContact CD1-CE1 4.17Å; L137-I327 HydrophobicContact CB-CD1 3.62Å; L137-I327 HydrophobicContact CD1-CD1 4.24Å
138	Y	98.5	Very high	96.6	Very high	2 Å²	2	18.1 Å²	18.1	1%	0.008	8%	0.08	C	C	.	.	H	α-helix	trans	-52.6	-51.4	173.5	167	-105.8	0	0	0	110.8	S134 Y135 V140 L141 C142 L322 I327 W330 E332 E335 V336	S134-Y138 WeakPolarHBondContact O-CB 3.35Å; S134-Y138 PolarHBondContact O-N 3.1Å; Y135-Y138 HydrophobicContact CD2-CD1 4.28Å; Y135-Y138 HydrophobicContact CE2-CD1 4.33Å; Y138-V140 PolarHBondContact O-N 3.03Å; Y138-L141 PolarHBondContact O-N 3.17Å; Y138-L141 VanDerWaalsContact O-N 3.16Å; Y138-C142 WeakPolarHBondContact CE2-SG 3.43Å; Y138-C142 PolarHBondContact O-N 3.21Å; Y138-C142 PolarHBondContact O-SG 2.66Å; Y138-C142 VanDerWaalsContact O-SG 3.38Å; Y138-L322 HydrophobicContact CD2-CD2 3.96Å; Y138-L322 HydrophobicContact CE2-CD2 4.19Å; Y138-I327 HydrophobicContact CD2-CG2 3.99Å; Y138-I327 HydrophobicContact CG-CG2 4.5Å; Y138-W330 HydrophobicContact CD1-CB 3.66Å; Y138-W330 HydrophobicContact CD1-CG 4.42Å; Y138-W330 HydrophobicContact CD2-CB 3.93Å; Y138-W330 HydrophobicContact CE1-CB 4.02Å; Y138-W330 HydrophobicContact CE2-CB 4.26Å; Y138-W330 WeakPolarHBondContact CE2-O 3.28Å; Y138-W330 HydrophobicContact CG-CB 3.61Å; Y138-W330 HydrophobicContact CG-CG 4.29Å; Y138-W330 PolarHBondContact OH-O 3.31Å; Y138-E332 PolarHBondContact OH-N 3.17Å; Y138-E335 PolarHBondContact OH-OE2 3.3Å; Y138-V336 HydrophobicContact CE2-CG2 3.92Å
139	Q	98.2	Very high	96.6	Very high	2 Å²	2	19.9 Å²	19.9	1%	0.009	10%	0.098	C	C	.	.	H	α-helix	trans	-62.9	-39.1	179.7	-72.9	179.3	88.7	0	0	113	N89 Y135 L136 L137 G143 C168 L170	N89-Q139 WeakPolarHBondContact CB-O 3.42Å; N89-Q139 VanDerWaalsContact ND2-CB 3.35Å; N89-Q139 WeakPolarHBondContact ND2-CB 3.19Å; N89-Q139 WeakPolarHBondContact ND2-CG 3.19Å; N89-Q139 PolarHBondContact ND2-OE1 3.24Å; Y135-Q139 HydrophobicContact CE2-CG 4.37Å; Y135-Q139 WeakPolarHBondContact O-CG 2.92Å; Y135-Q139 PolarHBondContact O-N 3.49Å; Y135-Q139 VanDerWaalsContact O-N 3.16Å; Y135-Q139 PolarHBondContact O-NE2 3.45Å; L136-Q139 PolarHBondContact O-N 2.85Å; L137-Q139 VanDerWaalsContact C-N 3.32Å; L137-Q139 PolarHBondContact O-N 3.07Å; Q139-G143 PolarHBondContact O-N 2.76Å; Q139-C168 PolarHBondContact NE2-O 3.16Å; Q139-L170 HydrophobicContact CB-CB 4.03Å; Q139-L170 HydrophobicContact CB-CD2 4.2Å
140	V	98.3	Very high	96.3	Very high	5 Å²	5	17.6 Å²	17.6	3%	0.03	9%	0.087	C	C	.	.	H	α-helix	trans	-62	-47.2	173.6	174.5	0	0	0	0	110.3	L136 L137 Y138 C142 G143 V144 I162 L170 V216	L136-V140 WeakPolarHBondContact O-CG2 3.46Å; L136-V140 PolarHBondContact O-N 3.43Å; L137-V140 PolarHBondContact O-N 3.4Å; Y138-V140 PolarHBondContact O-N 3.03Å; V140-C142 PolarHBondContact O-N 3.11Å; V140-G143 PolarHBondContact O-N 2.88Å; V140-V144 HydrophobicContact CG1-CG2 4.24Å; V140-V144 WeakPolarHBondContact O-CB 3.3Å; V140-V144 VanDerWaalsContact O-CG2 3.27Å; V140-V144 WeakPolarHBondContact O-CG2 3.46Å; V140-V144 PolarHBondContact O-N 2.75Å; V140-I162 HydrophobicContact CG2-CD1 3.98Å; V140-I162 HydrophobicContact CG2-CG2 4.5Å; V140-L170 HydrophobicContact CG2-CD1 3.64Å; V140-L170 HydrophobicContact CG2-CD2 3.66Å; V140-L170 HydrophobicContact CG2-CG 4.34Å; V140-V216 HydrophobicContact CG1-CG1 4.35Å; V140-V216 HydrophobicContact CG1-CG2 3.61Å
141	L	98.5	Very high	95.8	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-63.7	-40.3	-179.9	-70.4	168.6	0	0	0	112.1	L137 Y138 V144 K145 I213 V216 M307 V318 A321 L322 I327	L137-L141 WeakPolarHBondContact O-CB 3.33Å; L137-L141 VanDerWaalsContact O-CG 3.31Å; L137-L141 WeakPolarHBondContact O-CG 3.1Å; L137-L141 PolarHBondContact O-N 2.66Å; Y138-L141 PolarHBondContact O-N 3.17Å; Y138-L141 VanDerWaalsContact O-N 3.16Å; L141-V144 PolarHBondContact O-N 3.1Å; L141-K145 WeakPolarHBondContact O-CB 3.26Å; L141-K145 PolarHBondContact O-N 2.82Å; L141-I213 HydrophobicContact CD2-CD1 4.03Å; L141-V216 HydrophobicContact CD2-CG1 4.31Å; L141-M307 HydrophobicContact CD1-CE 4.26Å; L141-M307 HydrophobicContact CD2-CE 4.1Å; L141-V318 HydrophobicContact CD2-CG2 4.17Å; L141-A321 HydrophobicContact CD1-CB 3.99Å; L141-A321 HydrophobicContact CD2-CB 3.98Å; L141-L322 HydrophobicContact CB-CD2 3.56Å; L141-L322 HydrophobicContact CB-CG 3.9Å; L141-L322 HydrophobicContact CD1-CD2 4.42Å; L141-I327 HydrophobicContact CD1-CD1 4.37Å; L141-I327 HydrophobicContact CD1-CG1 4.11Å; L141-I327 HydrophobicContact CD1-CG2 4.06Å
142	C	97.7	Very high	95.5	Very high	1 Å²	1	16.8 Å²	16.8	1%	0.007	9%	0.089	C	C	.	.	H	α-helix	trans	-61	-46.6	173.4	-69.8	0	0	0	0	111.6	Y138 V140 V144 K145 H146	Y138-C142 WeakPolarHBondContact CE2-SG 3.43Å; Y138-C142 PolarHBondContact O-N 3.21Å; Y138-C142 PolarHBondContact O-SG 2.66Å; Y138-C142 VanDerWaalsContact O-SG 3.38Å; V140-C142 PolarHBondContact O-N 3.11Å; C142-V144 PolarHBondContact O-N 2.9Å; C142-K145 PolarHBondContact O-N 2.9Å; C142-H146 WeakPolarHBondContact O-CB 3.49Å; C142-H146 PolarHBondContact O-N 3.48Å
143	G	96.8	Very high	95.3	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-60.2	-44	175.5	0	0	0	0	0	112.7	Q139 V140 H146 L147	Q139-G143 PolarHBondContact O-N 2.76Å; V140-G143 PolarHBondContact O-N 2.88Å; G143-H146 PolarHBondContact O-N 2.72Å; G143-L147 WeakPolarHBondContact O-CG 3.31Å; G143-L147 PolarHBondContact O-N 2.97Å; G143-L147 VanDerWaalsContact O-N 3.07Å
144	V	96.8	Very high	95.1	Very high	0 Å²	0	11 Å²	11	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-63.5	-46.8	177.2	170.3	0	0	0	0	111.3	V140 L141 C142 H146 L147 H148 L157 I172 D212 I213 V216 V318	V140-V144 HydrophobicContact CG1-CG2 4.24Å; V140-V144 WeakPolarHBondContact O-CB 3.3Å; V140-V144 VanDerWaalsContact O-CG2 3.27Å; V140-V144 WeakPolarHBondContact O-CG2 3.46Å; V140-V144 PolarHBondContact O-N 2.75Å; L141-V144 PolarHBondContact O-N 3.1Å; C142-V144 PolarHBondContact O-N 2.9Å; V144-H146 VanDerWaalsContact C-N 3.32Å; V144-H146 PolarHBondContact O-N 2.92Å; V144-L147 PolarHBondContact O-N 2.78Å; V144-H148 WeakPolarHBondContact CG1-CE1 3.34Å; V144-H148 WeakPolarHBondContact CG1-NE2 3.37Å; V144-H148 PolarHBondContact O-CD2 2.9Å; V144-H148 VanDerWaalsContact O-CD2 3.31Å; V144-H148 VanDerWaalsContact O-CG 3.25Å; V144-H148 PolarHBondContact O-N 3.31Å; V144-L157 HydrophobicContact CG2-CD1 3.66Å; V144-I172 HydrophobicContact CG2-CD1 4.06Å; V144-D212 HydrophobicContact CG1-CB 4.02Å; V144-I213 HydrophobicContact CG1-CD1 4.47Å; V144-V216 HydrophobicContact CG2-CG2 4.43Å; V144-V318 HydrophobicContact CB-CG2 4.43Å; V144-V318 HydrophobicContact CG1-CG2 4.11Å
145	K	96.4	Very high	94.8	Very high	23 Å²	23	11.5 Å²	11.5	10%	0.1	7%	0.068	C	C	.	.	H	α-helix	trans	-58.7	-44.4	176.8	176.8	167.2	168.7	165.1	0	111.7	L141 C142 L147 H148 A149 V318 D319 L322 V336 N337	L141-K145 WeakPolarHBondContact O-CB 3.26Å; L141-K145 PolarHBondContact O-N 2.82Å; C142-K145 PolarHBondContact O-N 2.9Å; K145-L147 VanDerWaalsContact C-N 3.34Å; K145-L147 PolarHBondContact O-N 2.8Å; K145-H148 PolarHBondContact O-N 2.9Å; K145-A149 WeakPolarHBondContact O-CB 3.32Å; K145-A149 PolarHBondContact O-N 2.99Å; K145-V318 HydrophobicContact CB-CG1 4.06Å; K145-V318 HydrophobicContact CB-CG2 3.8Å; K145-V318 HydrophobicContact CG-CG1 4.25Å; K145-D319 VanDerWaalsContact CE-OD1 3.3Å; K145-D319 WeakPolarHBondContact CE-OD1 3.49Å; K145-D319 IonicContact NZ-OD1 3.48Å; K145-D319 PolarHBondContact NZ-OD1 2.9Å; K145-L322 HydrophobicContact CB-CD1 4.16Å; K145-L322 HydrophobicContact CD-CD1 3.53Å; K145-L322 HydrophobicContact CG-CD1 4.49Å; K145-V336 HydrophobicContact CD-CG1 3.96Å; K145-V336 WeakPolarHBondContact CD-O 3.21Å; K145-V336 VanDerWaalsContact CE-O 3.24Å; K145-V336 WeakPolarHBondContact CE-O 3.41Å; K145-N337 WeakPolarHBondContact CE-OD1 3.15Å; K145-N337 PolarHBondContact NZ-OD1 3.2Å
146	H	94.4	Very high	94.5	Very high	6 Å²	6	8.7 Å²	8.7	3%	0.028	6%	0.058	C	C	.	.	H	α-helix	trans	-61.5	-41.9	177.6	-176.5	87	0	0	0	112.1	H87 C142 G143 V144 A150 A338 P339 P341	H87-H146 HydrophobicContact CB-CB 4.44Å; H87-H146 AromaticContact CD2-CG 3.61Å; H87-H146 AromaticContact CD2-ND1 3.5Å; H87-H146 AromaticContact CG-CD2 3.99Å; H87-H146 AromaticContact CG-CG 3.69Å; H87-H146 AromaticContact CG-ND1 3.97Å; C142-H146 WeakPolarHBondContact O-CB 3.49Å; C142-H146 PolarHBondContact O-N 3.48Å; G143-H146 PolarHBondContact O-N 2.72Å; V144-H146 VanDerWaalsContact C-N 3.32Å; V144-H146 PolarHBondContact O-N 2.92Å; H146-A150 PolarHBondContact O-N 2.78Å; H146-A338 PolarHBondContact ND1-O 3.45Å; H146-P339 PolarHBondContact CE1-O 2.8Å; H146-P341 WeakPolarHBondContact NE2-CD 3.5Å
147	L	93.6	Very high	94.4	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-63.2	-46.8	174.1	-68.3	169.9	0	0	0	111.5	V85 I90 G143 V144 K145 A149 A150 G151 I152 H154 F175	V85-L147 HydrophobicContact CG1-CD2 4.03Å; V85-L147 HydrophobicContact CG2-CD2 4.01Å; I90-L147 HydrophobicContact CD1-CD1 3.79Å; I90-L147 HydrophobicContact CD1-CD2 4.19Å; I90-L147 HydrophobicContact CD1-CG 3.88Å; G143-L147 WeakPolarHBondContact O-CG 3.31Å; G143-L147 PolarHBondContact O-N 2.97Å; G143-L147 VanDerWaalsContact O-N 3.07Å; V144-L147 PolarHBondContact O-N 2.78Å; K145-L147 VanDerWaalsContact C-N 3.34Å; K145-L147 PolarHBondContact O-N 2.8Å; L147-A149 VanDerWaalsContact C-N 3.32Å; L147-A149 PolarHBondContact O-N 2.8Å; L147-A150 CarbonylContact O-C 3.57Å; L147-A150 WeakPolarHBondContact O-CA 3.39Å; L147-A150 WeakPolarHBondContact O-CB 3.47Å; L147-A150 PolarHBondContact O-N 2.88Å; L147-G151 PolarHBondContact O-N 2.84Å; L147-I152 CarbonylContact C-O 3.55Å; L147-I152 HydrophobicContact CB-CB 4.3Å; L147-I152 HydrophobicContact CD2-CB 4.4Å; L147-I152 HydrophobicContact CD2-CD1 4.39Å; L147-I152 HydrophobicContact CD2-CG2 4.22Å; L147-I152 WeakPolarHBondContact O-CA 3.49Å; L147-I152 WeakPolarHBondContact O-CB 3.14Å; L147-I152 PolarHBondContact O-N 2.9Å; L147-H154 HydrophobicContact CD1-CB 4.42Å; L147-F175 HydrophobicContact CD1-CE1 3.88Å; L147-F175 HydrophobicContact CD2-CD1 4.35Å; L147-F175 HydrophobicContact CD2-CE1 3.65Å; L147-F175 HydrophobicContact CD2-CZ 4.32Å; L147-F175 HydrophobicContact CG-CE1 4.42Å
148	H	93.3	Very high	94.2	Very high	29 Å²	29	9.4 Å²	9.4	13%	0.134	6%	0.061	C	C	.	.	H	α-helix	trans	-61.6	-40.3	179.8	-67.3	-177.8	0	0	0	111.6	V144 K145 A150 G151 I152 E209 D212	V144-H148 WeakPolarHBondContact CG1-CE1 3.34Å; V144-H148 WeakPolarHBondContact CG1-NE2 3.37Å; V144-H148 PolarHBondContact O-CD2 2.9Å; V144-H148 VanDerWaalsContact O-CD2 3.31Å; V144-H148 VanDerWaalsContact O-CG 3.25Å; V144-H148 PolarHBondContact O-N 3.31Å; K145-H148 PolarHBondContact O-N 2.9Å; H148-A150 VanDerWaalsContact C-N 3.25Å; H148-A150 PolarHBondContact O-N 3.06Å; H148-G151 WeakPolarHBondContact O-CA 3.47Å; H148-G151 PolarHBondContact O-N 2.78Å; H148-I152 PolarHBondContact CD2-O 3.25Å; H148-I152 PolarHBondContact N-O 3.29Å; H148-E209 HydrophobicContact CB-CB 4.45Å; H148-E209 HydrophobicContact CB-CG 4.48Å; H148-E209 PolarHBondContact CE1-O 3.18Å; H148-E209 PolarHBondContact NE2-O 2.78Å; H148-D212 IonicContact CD2-OD2 3.08Å; H148-D212 IonicContact CE1-OD2 3.9Å; H148-D212 IonicContact NE2-OD2 3.77Å; H148-D212 PolarHBondContact NE2-OD2 3.15Å
149	A	91.7	Very high	94	Very high	62 Å²	62	9.3 Å²	9.3	51%	0.512	6%	0.06	S	C	.	.	H	α-helix	trans	-63.9	-28.4	174.9	0	0	0	0	0	113.1	K145 L147 G151 P340	K145-A149 WeakPolarHBondContact O-CB 3.32Å; K145-A149 PolarHBondContact O-N 2.99Å; L147-A149 VanDerWaalsContact C-N 3.32Å; L147-A149 PolarHBondContact O-N 2.8Å; A149-G151 PolarHBondContact O-N 3.4Å; A149-P340 HydrophobicContact CB-CB 3.93Å; A149-P340 HydrophobicContact CB-CG 4.03Å
150	A	88.8	Confident	93.7	Very high	4 Å²	4	11.7 Å²	11.7	3%	0.033	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	1.7	171.1	0	0	0	0	0	113.5	H146 L147 H148 I152 P340 P341	H146-A150 PolarHBondContact O-N 2.78Å; L147-A150 CarbonylContact O-C 3.57Å; L147-A150 WeakPolarHBondContact O-CA 3.39Å; L147-A150 WeakPolarHBondContact O-CB 3.47Å; L147-A150 PolarHBondContact O-N 2.88Å; H148-A150 VanDerWaalsContact C-N 3.25Å; H148-A150 PolarHBondContact O-N 3.06Å; A150-I152 VanDerWaalsContact C-N 3.31Å; A150-I152 HydrophobicContact CB-CD1 3.88Å; A150-I152 HydrophobicContact CB-CG1 4.19Å; A150-P340 HydrophobicContact CB-CB 4.11Å; A150-P341 HydrophobicContact CB-CG 3.83Å
151	G	88.7	Confident	93.5	Very high	22 Å²	22	12.1 Å²	12.1	23%	0.227	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.2	14	-174.6	0	0	0	0	0	113.8	L147 H148 A149 T180 A181	L147-G151 PolarHBondContact O-N 2.84Å; H148-G151 WeakPolarHBondContact O-CA 3.47Å; H148-G151 PolarHBondContact O-N 2.78Å; A149-G151 PolarHBondContact O-N 3.4Å; G151-T180 CarbonylContact O-C 3.47Å; G151-T180 WeakPolarHBondContact O-CA 3.47Å; G151-A181 PolarHBondContact O-N 3.12Å
152	I	89.9	Confident	93.4	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	122.2	-175.5	-59.1	163.3	0	0	0	110	L81 V85 L147 H148 A150 A178 R179	L81-I152 HydrophobicContact CD1-CG2 4.43Å; L81-I152 HydrophobicContact CD2-CD1 3.77Å; L81-I152 HydrophobicContact CD2-CG1 4.15Å; V85-I152 HydrophobicContact CG2-CD1 3.65Å; L147-I152 CarbonylContact C-O 3.55Å; L147-I152 HydrophobicContact CB-CB 4.3Å; L147-I152 HydrophobicContact CD2-CB 4.4Å; L147-I152 HydrophobicContact CD2-CD1 4.39Å; L147-I152 HydrophobicContact CD2-CG2 4.22Å; L147-I152 WeakPolarHBondContact O-CA 3.49Å; L147-I152 WeakPolarHBondContact O-CB 3.14Å; L147-I152 PolarHBondContact O-N 2.9Å; H148-I152 PolarHBondContact CD2-O 3.25Å; H148-I152 PolarHBondContact N-O 3.29Å; A150-I152 VanDerWaalsContact C-N 3.31Å; A150-I152 HydrophobicContact CB-CD1 3.88Å; A150-I152 HydrophobicContact CB-CG1 4.19Å; I152-A178 HydrophobicContact CG2-CB 3.84Å; I152-R179 CarbonylContact C-O 3.59Å; I152-R179 WeakPolarHBondContact CA-O 3.37Å
153	I	92.1	Very high	93.3	Very high	3 Å²	3	12.8 Å²	12.8	2%	0.015	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	128.1	170	-48.7	175	0	0	0	108.6	R155 A178 R179 A181 E209 V211 D212	I153-R155 HydrophobicContact CB-CG 4.06Å; I153-R155 HydrophobicContact CG2-CG 3.51Å; I153-A178 CarbonylContact O-C 3.59Å; I153-A178 WeakPolarHBondContact O-CA 3.41Å; I153-A178 WeakPolarHBondContact O-CB 3.41Å; I153-R179 PolarHBondContact N-O 2.87Å; I153-R179 PolarHBondContact O-N 3.24Å; I153-A181 HydrophobicContact CD1-CB 4.17Å; I153-A181 HydrophobicContact CG1-CB 4.35Å; I153-E209 HydrophobicContact CD1-CB 4.37Å; I153-E209 HydrophobicContact CG1-CB 4.02Å; I153-V211 HydrophobicContact CG2-CG2 3.55Å; I153-D212 WeakPolarHBondContact CG2-OD2 3.44Å
154	H	92.6	Very high	93.3	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	9%	0.085	C	C	.	.			trans	-72.8	-49.7	-174.9	-169.7	-78.5	0	0	0	112.7	L147 D156 L157 I172 L173 D174 F175 D212	L147-H154 HydrophobicContact CD1-CB 4.42Å; H154-D156 PolarHBondContact CE1-O 3.44Å; H154-D156 VanDerWaalsContact ND1-C 3.32Å; H154-D156 PolarHBondContact ND1-N 3.12Å; H154-D156 PolarHBondContact O-N 3.13Å; H154-L157 HydrophobicContact CB-CD1 4.46Å; H154-L157 HydrophobicContact CB-CD2 4.33Å; H154-L157 HydrophobicContact CB-CG 3.99Å; H154-L157 PolarHBondContact ND1-N 3.48Å; H154-L157 VanDerWaalsContact ND1-N 3.18Å; H154-I172 WeakPolarHBondContact NE2-CG2 3.46Å; H154-L173 PolarHBondContact NE2-O 3.13Å; H154-D174 PolarHBondContact NE2-O 3.32Å; H154-F175 AromaticContact CD2-CE1 3.94Å; H154-D212 PolarHBondContact N-OD2 2.89Å
155	R	91.2	Very high	93.2	Very high	11 Å²	11	16.7 Å²	16.7	4%	0.042	10%	0.101	C	C	.	.			trans	64.3	-7.5	175.5	-49.5	-172.2	-51.6	155.8	11.4	118	I153 L177 M187 Y207 V211 D212	I153-R155 HydrophobicContact CB-CG 4.06Å; I153-R155 HydrophobicContact CG2-CG 3.51Å; R155-L177 PolarHBondContact NE-O 2.77Å; R155-L177 PolarHBondContact NH2-O 3.35Å; R155-M187 HydrophobicContact CB-CE 3.82Å; R155-Y207 PolarHBondContact NH1-OH 2.92Å; R155-V211 HydrophobicContact CG-CG2 4.26Å; R155-D212 PolarHBondContact N-OD1 2.7Å
156	D	91.1	Very high	92.8	Very high	8 Å²	8	23.6 Å²	23.6	4%	0.043	13%	0.133	C	C	.	.			trans	-132.9	38	175.3	-163.9	29.9	0	0	0	111.6	H154 K158 N161 L177	H154-D156 PolarHBondContact CE1-O 3.44Å; H154-D156 VanDerWaalsContact ND1-C 3.32Å; H154-D156 PolarHBondContact ND1-N 3.12Å; H154-D156 PolarHBondContact O-N 3.13Å; D156-K158 PolarHBondContact O-N 3.42Å; D156-K158 IonicContact OD1-NZ 3.43Å; D156-K158 PolarHBondContact OD1-NZ 2.82Å; D156-K158 IonicContact OD2-NZ 2.68Å; D156-K158 PolarHBondContact OD2-NZ 3.3Å; D156-N161 PolarHBondContact O-ND2 2.87Å; D156-L177 HydrophobicContact CB-CB 4.1Å; D156-L177 HydrophobicContact CB-CD1 3.86Å
157	L	95.4	Very high	92.7	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.005	16%	0.161	C	C	.	.			trans	-67.1	127.9	170.9	-73.5	174.6	0	0	0	109	V144 H154 I172 Y196 D212 V216 I219	V144-L157 HydrophobicContact CG2-CD1 3.66Å; H154-L157 HydrophobicContact CB-CD1 4.46Å; H154-L157 HydrophobicContact CB-CD2 4.33Å; H154-L157 HydrophobicContact CB-CG 3.99Å; H154-L157 PolarHBondContact ND1-N 3.48Å; H154-L157 VanDerWaalsContact ND1-N 3.18Å; L157-I172 HydrophobicContact CD2-CD1 4.31Å; L157-I172 HydrophobicContact CD2-CG2 3.76Å; L157-Y196 WeakPolarHBondContact O-CB 3.4Å; L157-D212 HydrophobicContact CD1-CB 3.75Å; L157-V216 HydrophobicContact CD1-CG2 4.01Å; L157-I219 HydrophobicContact CB-CD1 4.32Å
158	K	94.3	Very high	92.6	Very high	19 Å²	19	30.2 Å²	30.2	8%	0.083	17%	0.171	C	C	.	.			trans	-163.9	161.7	178.7	60.3	-170.4	175.3	-140.3	0	108.7	D156 S160 N161 Y196	D156-K158 PolarHBondContact O-N 3.42Å; D156-K158 IonicContact OD1-NZ 3.43Å; D156-K158 PolarHBondContact OD1-NZ 2.82Å; D156-K158 IonicContact OD2-NZ 2.68Å; D156-K158 PolarHBondContact OD2-NZ 3.3Å; K158-S160 WeakPolarHBondContact CE-OG 3.39Å; K158-S160 PolarHBondContact O-N 2.87Å; K158-S160 VanDerWaalsContact O-N 3.11Å; K158-N161 WeakPolarHBondContact CE-ND2 3.31Å; K158-N161 HydrophobicContact CG-CB 4.1Å; K158-N161 PolarHBondContact O-N 2.81Å; K158-Y196 HydrophobicContact CB-CD2 3.37Å; K158-Y196 HydrophobicContact CB-CE2 3.64Å; K158-Y196 HydrophobicContact CB-CG 3.94Å
159	P	94.8	Very high	92.7	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-59.4	-30.5	-173.8	-25.5	34.9	0	0	0	114.4	L120 I124 N161 I162 Y196 I219	L120-P159 HydrophobicContact CB-CB 3.93Å; L120-P159 WeakPolarHBondContact CB-O 3.5Å; L120-P159 HydrophobicContact CD2-CB 4.35Å; L120-P159 HydrophobicContact CG-CB 4.26Å; L120-P159 PolarHBondContact N-O 3.33Å; L120-P159 VanDerWaalsContact N-O 3.14Å; I124-P159 HydrophobicContact CD1-CB 3.8Å; I124-P159 HydrophobicContact CD1-CG 3.78Å; P159-N161 VanDerWaalsContact C-N 3.28Å; P159-N161 PolarHBondContact O-N 3.45Å; P159-I162 PolarHBondContact O-N 3.19Å; P159-I162 VanDerWaalsContact O-O 3.08Å; P159-Y196 VanDerWaalsContact CD-CE1 3.47Å; P159-Y196 WeakPolarHBondContact CD-OH 3.33Å; P159-Y196 HydrophobicContact CG-CE1 3.96Å; P159-I219 HydrophobicContact CG-CG1 4.12Å; P159-I219 HydrophobicContact CG-CG2 4.5Å
160	S	91.7	Very high	93	Very high	52 Å²	52	27.3 Å²	27.3	36%	0.364	15%	0.15	S	C	.	.	G	3₁₀ helix	trans	-72.3	-17.1	176.1	47.3	0	0	0	0	114.7	C121 K158	C121-S160 PolarHBondContact SG-N 3.42Å; C121-S160 VanDerWaalsContact SG-N 3.43Å; K158-S160 WeakPolarHBondContact CE-OG 3.39Å; K158-S160 PolarHBondContact O-N 2.87Å; K158-S160 VanDerWaalsContact O-N 3.11Å
161	N	94	Very high	93.4	Very high	13 Å²	13	28.2 Å²	28.2	7%	0.07	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-98.1	11.5	175.9	-77.2	-4.2	0	0	0	112.1	D156 K158 P159 L173 D174	D156-N161 PolarHBondContact O-ND2 2.87Å; K158-N161 WeakPolarHBondContact CE-ND2 3.31Å; K158-N161 HydrophobicContact CG-CB 4.1Å; K158-N161 PolarHBondContact O-N 2.81Å; P159-N161 VanDerWaalsContact C-N 3.28Å; P159-N161 PolarHBondContact O-N 3.45Å; N161-L173 WeakPolarHBondContact O-CB 3.48Å; N161-L173 PolarHBondContact O-N 3.12Å; N161-D174 PolarHBondContact ND2-OD2 3.02Å
162	I	96	Very high	93.8	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	123.2	176.6	-65.6	172.9	0	0	0	107	N119 L120 V140 P159 V164 L170 I219	N119-I162 CarbonylContact C-O 3.56Å; N119-I162 WeakPolarHBondContact CA-O 3.39Å; N119-I162 WeakPolarHBondContact CB-O 3.47Å; L120-I162 HydrophobicContact CB-CB 3.99Å; L120-I162 HydrophobicContact CB-CG2 4.01Å; L120-I162 HydrophobicContact CD2-CB 4.3Å; L120-I162 HydrophobicContact CD2-CD1 4Å; L120-I162 HydrophobicContact CD2-CG2 4.13Å; L120-I162 PolarHBondContact N-O 3.36Å; V140-I162 HydrophobicContact CG2-CD1 3.98Å; V140-I162 HydrophobicContact CG2-CG2 4.5Å; P159-I162 PolarHBondContact O-N 3.19Å; P159-I162 VanDerWaalsContact O-O 3.08Å; I162-V164 HydrophobicContact CG2-CG2 4.46Å; I162-L170 HydrophobicContact CG2-CD1 3.34Å; I162-L170 HydrophobicContact CG2-CD2 3.86Å; I162-L170 HydrophobicContact CG2-CG 3.52Å; I162-I219 HydrophobicContact CD1-CD1 3.75Å
163	V	96.1	Very high	93.8	Very high	16 Å²	16	28.9 Å²	28.9	10%	0.097	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	146.3	-179.6	-74.1	0	0	0	0	111.3	M116 A118 N119 L170 K171 L173	M116-V163 HydrophobicContact CB-CB 3.7Å; M116-V163 HydrophobicContact CB-CG1 4.4Å; M116-V163 HydrophobicContact CB-CG2 3.91Å; M116-V163 HydrophobicContact CE-CB 4.35Å; M116-V163 HydrophobicContact CE-CG2 4.04Å; M116-V163 WeakPolarHBondContact CE-O 3.25Å; M116-V163 HydrophobicContact CG-CB 3.97Å; M116-V163 HydrophobicContact CG-CG2 3.57Å; A118-V163 CarbonylContact O-C 3.55Å; A118-V163 VanDerWaalsContact O-CA 3.27Å; A118-V163 WeakPolarHBondContact O-CA 3.41Å; A118-V163 WeakPolarHBondContact O-CB 3.44Å; N119-V163 HydrophobicContact CB-CG1 4.15Å; V163-L170 CarbonylContact O-C 3.53Å; V163-L170 VanDerWaalsContact O-CA 3.31Å; V163-L170 WeakPolarHBondContact O-CA 3.45Å; V163-K171 HydrophobicContact CG2-CB 4.16Å; V163-K171 VanDerWaalsContact CG2-O 3.31Å; V163-K171 WeakPolarHBondContact CG2-O 3.18Å; V163-K171 PolarHBondContact N-O 2.85Å; V163-K171 PolarHBondContact O-N 3.43Å; V163-L173 HydrophobicContact CB-CD1 4.37Å; V163-L173 HydrophobicContact CG1-CD1 3.46Å; V163-L173 VanDerWaalsContact CG1-CD1 3.46Å; V163-L173 HydrophobicContact CG1-CG 4.13Å; V163-L173 HydrophobicContact CG2-CD1 4.02Å; V163-L173 HydrophobicContact CG2-CD2 3.69Å; V163-L173 HydrophobicContact CG2-CG 3.78Å
164	V	96.5	Very high	93.3	Very high	6 Å²	6	29.1 Å²	29.1	4%	0.036	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	137.4	-168.2	-169.3	0	0	0	0	108.7	D117 A118 L120 V123 L136 I162 S169 L170	D117-V164 PolarHBondContact N-O 3.37Å; A118-V164 PolarHBondContact N-O 3.07Å; A118-V164 VanDerWaalsContact N-O 3.1Å; A118-V164 PolarHBondContact O-N 3.2Å; L120-V164 HydrophobicContact CD1-CG2 4.39Å; V123-V164 HydrophobicContact CG2-CB 4.14Å; V123-V164 HydrophobicContact CG2-CG2 4.28Å; L136-V164 HydrophobicContact CD2-CG1 3.8Å; L136-V164 HydrophobicContact CD2-CG2 4.18Å; I162-V164 HydrophobicContact CG2-CG2 4.46Å; V164-S169 CarbonylContact C-O 3.56Å; V164-S169 WeakPolarHBondContact CA-O 3.44Å; V164-L170 HydrophobicContact CG2-CB 4.45Å; V164-L170 HydrophobicContact CG2-CD1 4.13Å; V164-L170 HydrophobicContact CG2-CG 4.3Å
165	K	94	Very high	92.6	Very high	76 Å²	76	29.1 Å²	29.1	33%	0.33	15%	0.153	S	C	.	.			trans	-89.3	167.2	169.1	-68	-168.1	-179.6	179.7	0	111.9	M116 D117 D167 C168 S169	M116-K165 HydrophobicContact CE-CG 3.7Å; M116-K165 HydrophobicContact SD-CD 4.23Å; M116-K165 VanDerWaalsContact SD-CE 3.53Å; M116-K165 HydrophobicContact SD-CG 3.71Å; D117-K165 WeakPolarHBondContact OD2-CA 3.41Å; D117-K165 WeakPolarHBondContact OD2-CB 3.37Å; K165-D167 VanDerWaalsContact CB-OD1 3.29Å; K165-D167 WeakPolarHBondContact CB-OD1 3.39Å; K165-D167 PolarHBondContact O-N 2.8Å; K165-D167 VanDerWaalsContact O-N 3.15Å; K165-C168 WeakPolarHBondContact O-CA 3.43Å; K165-C168 PolarHBondContact O-N 2.96Å; K165-S169 WeakPolarHBondContact CB-OG 3.38Å; K165-S169 WeakPolarHBondContact CD-OG 3.48Å; K165-S169 PolarHBondContact N-O 2.65Å
166	H	89.6	Confident	91.4	Very high	168 Å²	168	28.7 Å²	28.7	78%	0.778	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57	-26.6	175.8	-72.7	-60.9	0	0	0	114.3	D117 C168	D117-H166 IonicContact OD1-CD2 3.91Å; D117-H166 IonicContact OD1-NE2 3.31Å; D117-H166 IonicContact OD2-CD2 3.49Å; D117-H166 PolarHBondContact OD2-CD2 3.11Å; D117-H166 IonicContact OD2-CG 3.13Å; D117-H166 PolarHBondContact OD2-N 3.02Å; D117-H166 IonicContact OD2-NE2 2.76Å; H166-C168 PolarHBondContact O-N 3.43Å
167	D	91.6	Very high	90.4	Very high	113 Å²	113	29.3 Å²	29.3	60%	0.604	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.7	11.2	174.8	68.4	-1.7	0	0	0	113.8	K165 S169	K165-D167 VanDerWaalsContact CB-OD1 3.29Å; K165-D167 WeakPolarHBondContact CB-OD1 3.39Å; K165-D167 PolarHBondContact O-N 2.8Å; K165-D167 VanDerWaalsContact O-N 3.15Å; D167-S169 PolarHBondContact O-N 3.26Å; D167-S169 VanDerWaalsContact OD1-CB 3.24Å; D167-S169 WeakPolarHBondContact OD1-CB 3.33Å; D167-S169 PolarHBondContact OD1-N 3.04Å; D167-S169 PolarHBondContact OD1-OG 3.06Å
168	C	92.4	Very high	88.9	Confident	31 Å²	31	29.2 Å²	29.2	21%	0.209	15%	0.154	C	C	.	.			trans	64.2	13.7	-174.7	-60.5	0	0	0	0	115.2	Y135 L136 Q139 K165 H166 L170	Y135-C168 HydrophobicContact CD1-CB 4.07Å; Y135-C168 HydrophobicContact CE1-CB 4.22Å; L136-C168 HydrophobicContact CD2-CB 4.46Å; Q139-C168 PolarHBondContact NE2-O 3.16Å; K165-C168 WeakPolarHBondContact O-CA 3.43Å; K165-C168 PolarHBondContact O-N 2.96Å; H166-C168 PolarHBondContact O-N 3.43Å; C168-L170 PolarHBondContact O-N 3.3Å
169	S	94.9	Very high	87.8	Confident	30 Å²	30	30.6 Å²	30.6	21%	0.21	16%	0.159	C	C	.	.			trans	-68.5	128.7	168	61.6	0	0	0	0	110.8	V164 K165 D167	V164-S169 CarbonylContact C-O 3.56Å; V164-S169 WeakPolarHBondContact CA-O 3.44Å; K165-S169 WeakPolarHBondContact CB-OG 3.38Å; K165-S169 WeakPolarHBondContact CD-OG 3.48Å; K165-S169 PolarHBondContact N-O 2.65Å; D167-S169 PolarHBondContact O-N 3.26Å; D167-S169 VanDerWaalsContact OD1-CB 3.24Å; D167-S169 WeakPolarHBondContact OD1-CB 3.33Å; D167-S169 PolarHBondContact OD1-N 3.04Å; D167-S169 PolarHBondContact OD1-OG 3.06Å
170	L	96.9	Very high	86.1	Confident	1 Å²	1	32.2 Å²	32.2	1%	0.005	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	140.2	-170.9	177.6	155	0	0	0	111.5	N89 L136 Q139 V140 I162 V163 V164 C168 I172	N89-L170 WeakPolarHBondContact CA-O 3.4Å; N89-L170 PolarHBondContact ND2-O 3.13Å; L136-L170 HydrophobicContact CB-CD1 4.23Å; L136-L170 HydrophobicContact CD2-CB 4.25Å; L136-L170 HydrophobicContact CD2-CD1 3.81Å; Q139-L170 HydrophobicContact CB-CB 4.03Å; Q139-L170 HydrophobicContact CB-CD2 4.2Å; V140-L170 HydrophobicContact CG2-CD1 3.64Å; V140-L170 HydrophobicContact CG2-CD2 3.66Å; V140-L170 HydrophobicContact CG2-CG 4.34Å; I162-L170 HydrophobicContact CG2-CD1 3.34Å; I162-L170 HydrophobicContact CG2-CD2 3.86Å; I162-L170 HydrophobicContact CG2-CG 3.52Å; V163-L170 CarbonylContact O-C 3.53Å; V163-L170 VanDerWaalsContact O-CA 3.31Å; V163-L170 WeakPolarHBondContact O-CA 3.45Å; V164-L170 HydrophobicContact CG2-CB 4.45Å; V164-L170 HydrophobicContact CG2-CD1 4.13Å; V164-L170 HydrophobicContact CG2-CG 4.3Å; C168-L170 PolarHBondContact O-N 3.3Å; L170-I172 HydrophobicContact CD2-CG1 4.44Å
171	K	97.2	Very high	84.4	Confident	23 Å²	23	32 Å²	32	10%	0.1	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	139.3	173.9	-73.1	169.5	172	-91.5	0	112	K88 N89 I90 I91 E114 M116 V163	K88-K171 VanDerWaalsContact O-CE 3.28Å; K88-K171 WeakPolarHBondContact O-CE 3.46Å; K88-K171 WeakPolarHBondContact O-CG 3.36Å; K88-K171 PolarHBondContact O-NZ 3.15Å; N89-K171 WeakPolarHBondContact O-CA 3.3Å; I90-K171 PolarHBondContact O-NZ 2.99Å; I91-K171 HydrophobicContact CB-CB 4.42Å; I91-K171 HydrophobicContact CD1-CB 4.42Å; I91-K171 HydrophobicContact CD1-CD 4.05Å; E114-K171 IonicContact OE1-NZ 2.62Å; E114-K171 WeakPolarHBondContact OE2-CD 3.31Å; E114-K171 WeakPolarHBondContact OE2-CE 3.18Å; E114-K171 IonicContact OE2-NZ 2.7Å; E114-K171 PolarHBondContact OE2-NZ 3.18Å; M116-K171 HydrophobicContact CE-CB 4.17Å; M116-K171 HydrophobicContact CE-CD 4.18Å; M116-K171 HydrophobicContact CE-CG 4.29Å; M116-K171 HydrophobicContact SD-CD 4Å; V163-K171 HydrophobicContact CG2-CB 4.16Å; V163-K171 VanDerWaalsContact CG2-O 3.31Å; V163-K171 WeakPolarHBondContact CG2-O 3.18Å; V163-K171 PolarHBondContact N-O 2.85Å; V163-K171 PolarHBondContact O-N 3.43Å
172	I	97	Very high	82	Confident	0 Å²	0	35 Å²	35	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	139.6	174.1	-57.9	172.7	0	0	0	110.1	N89 I90 I91 V144 H154 L157 L170	N89-I172 PolarHBondContact O-N 2.87Å; I90-I172 HydrophobicContact CD1-CB 3.84Å; I90-I172 HydrophobicContact CD1-CD1 4.01Å; I90-I172 HydrophobicContact CD1-CG1 4.29Å; I91-I172 WeakPolarHBondContact CB-O 3.46Å; I91-I172 WeakPolarHBondContact CG2-O 3.35Å; I91-I172 PolarHBondContact N-O 2.86Å; V144-I172 HydrophobicContact CG2-CD1 4.06Å; H154-I172 WeakPolarHBondContact NE2-CG2 3.46Å; L157-I172 HydrophobicContact CD2-CD1 4.31Å; L157-I172 HydrophobicContact CD2-CG2 3.76Å; L170-I172 HydrophobicContact CD2-CG1 4.44Å
173	L	92	Very high	79.8	Confident	35 Å²	35	36.2 Å²	36.2	18%	0.183	21%	0.211	C	C	.	.			trans	-115.5	169.1	180	-56.9	-176.1	0	0	0	113	I91 H154 N161 V163	I91-L173 HydrophobicContact CB-CD2 3.5Å; I91-L173 VanDerWaalsContact CB-CD2 3.5Å; I91-L173 HydrophobicContact CD1-CD2 4.08Å; I91-L173 HydrophobicContact CG1-CD2 3.59Å; I91-L173 HydrophobicContact CG2-CD2 3.56Å; H154-L173 PolarHBondContact NE2-O 3.13Å; N161-L173 WeakPolarHBondContact O-CB 3.48Å; N161-L173 PolarHBondContact O-N 3.12Å; V163-L173 HydrophobicContact CB-CD1 4.37Å; V163-L173 HydrophobicContact CG1-CD1 3.46Å; V163-L173 VanDerWaalsContact CG1-CD1 3.46Å; V163-L173 HydrophobicContact CG1-CG 4.13Å; V163-L173 HydrophobicContact CG2-CD1 4.02Å; V163-L173 HydrophobicContact CG2-CD2 3.69Å; V163-L173 HydrophobicContact CG2-CG 3.78Å
174	D	81.5	Confident	77.4	Confident	9 Å²	9	40.5 Å²	40.5	5%	0.048	24%	0.241	C	C	.	.			trans	62.8	79	162.5	-178.6	24.1	0	0	0	116.4	Q42 R74 H154 N161 G176	Q42-D174 VanDerWaalsContact CD-OD2 3.3Å; Q42-D174 PolarHBondContact NE2-OD2 2.93Å; Q42-D174 PolarHBondContact OE1-OD1 3.03Å; Q42-D174 VanDerWaalsContact OE1-OD1 3.11Å; Q42-D174 PolarHBondContact OE1-OD2 2.8Å; R74-D174 IonicContact NH2-OD1 3.7Å; R74-D174 PolarHBondContact NH2-OD1 2.86Å; R74-D174 IonicContact NH2-OD2 3.37Å; R74-D174 PolarHBondContact NH2-OD2 3.02Å; H154-D174 PolarHBondContact NE2-O 3.32Å; N161-D174 PolarHBondContact ND2-OD2 3.02Å; D174-G176 PolarHBondContact O-N 3.44Å; D174-G176 PolarHBondContact OD1-N 3.17Å; D174-G176 VanDerWaalsContact OD1-N 3.17Å
175	F	77.7	Confident	74.9	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-82.4	9	172.8	-53.9	-71.5	0	0	0	114.2	L81 M82 I90 I91 L147 H154 L177 A178	L81-F175 HydrophobicContact CB-CB 3.96Å; L81-F175 HydrophobicContact CB-CG 4.27Å; L81-F175 HydrophobicContact CD1-CB 3.83Å; M82-F175 HydrophobicContact CG-CD2 3.71Å; M82-F175 HydrophobicContact CG-CE2 4.15Å; I90-F175 HydrophobicContact CD1-CZ 4.38Å; I90-F175 HydrophobicContact CG2-CE2 4Å; I90-F175 HydrophobicContact CG2-CZ 3.51Å; I91-F175 HydrophobicContact CG2-CE2 4.41Å; L147-F175 HydrophobicContact CD1-CE1 3.88Å; L147-F175 HydrophobicContact CD2-CD1 4.35Å; L147-F175 HydrophobicContact CD2-CE1 3.65Å; L147-F175 HydrophobicContact CD2-CZ 4.32Å; L147-F175 HydrophobicContact CG-CE1 4.42Å; H154-F175 AromaticContact CD2-CE1 3.94Å; F175-L177 PolarHBondContact O-N 3.45Å; F175-L177 VanDerWaalsContact O-N 3.1Å; F175-A178 HydrophobicContact CB-CB 4.11Å; F175-A178 HydrophobicContact CD1-CB 4.48Å; F175-A178 VanDerWaalsContact O-CB 3.31Å; F175-A178 WeakPolarHBondContact O-CB 3.47Å; F175-A178 PolarHBondContact O-N 3.23Å
176	G	65.7	Low	72.7	Confident	2 Å²	2	48 Å²	48	2%	0.021	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-62.9	-23.3	-174.9	0	0	0	0	0	113.6	R74 D174	R74-G176 WeakPolarHBondContact CG-O 3.42Å; D174-G176 PolarHBondContact O-N 3.44Å; D174-G176 PolarHBondContact OD1-N 3.17Å; D174-G176 VanDerWaalsContact OD1-N 3.17Å
177	L	70	Confident	70.8	Confident	20 Å²	20	41.5 Å²	41.5	11%	0.105	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-105	4.7	173.8	-65.4	-178.3	0	0	0	113.7	R155 D156 F175 R179 V191	R155-L177 PolarHBondContact NE-O 2.77Å; R155-L177 PolarHBondContact NH2-O 3.35Å; D156-L177 HydrophobicContact CB-CB 4.1Å; D156-L177 HydrophobicContact CB-CD1 3.86Å; F175-L177 PolarHBondContact O-N 3.45Å; F175-L177 VanDerWaalsContact O-N 3.1Å; L177-R179 PolarHBondContact O-NH1 2.96Å; L177-V191 HydrophobicContact CD1-CG1 4.47Å; L177-V191 HydrophobicContact CD1-CG2 4.1Å
178	A	63.9	Low	68.5	Low	0 Å²	0	40.6 Å²	40.6	0%	0	25%	0.248	C	C	.	.			trans	-65.2	158.9	178.4	0	0	0	0	0	112.2	R77 L81 I152 I153 F175	R77-A178 WeakPolarHBondContact CD-O 3.44Å; L81-A178 HydrophobicContact CD1-CB 3.6Å; I152-A178 HydrophobicContact CG2-CB 3.84Å; I153-A178 CarbonylContact O-C 3.59Å; I153-A178 WeakPolarHBondContact O-CA 3.41Å; I153-A178 WeakPolarHBondContact O-CB 3.41Å; F175-A178 HydrophobicContact CB-CB 4.11Å; F175-A178 HydrophobicContact CD1-CB 4.48Å; F175-A178 VanDerWaalsContact O-CB 3.31Å; F175-A178 WeakPolarHBondContact O-CB 3.47Å; F175-A178 PolarHBondContact O-N 3.23Å
179	R	71.7	Confident	66.2	Low	47 Å²	47	43.7 Å²	43.7	18%	0.177	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	158.7	176.2	-70.7	-64.7	-176.1	-79.5	1.4	110.8	I152 I153 L177 D183	I152-R179 CarbonylContact C-O 3.59Å; I152-R179 WeakPolarHBondContact CA-O 3.37Å; I153-R179 PolarHBondContact N-O 2.87Å; I153-R179 PolarHBondContact O-N 3.24Å; L177-R179 PolarHBondContact O-NH1 2.96Å; R179-D183 HydrophobicContact CB-CB 4.43Å; R179-D183 WeakPolarHBondContact CD-OD2 3.44Å
180	T	58.5	Low	63.6	Low	34 Å²	34	52.7 Å²	52.7	21%	0.209	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	142.8	166.8	-49.1	0	0	0	0	110	G151 G182 D183 Y344 D346	G151-T180 CarbonylContact O-C 3.47Å; G151-T180 WeakPolarHBondContact O-CA 3.47Å; T180-G182 PolarHBondContact O-N 3.5Å; T180-D183 PolarHBondContact O-N 3.1Å; T180-Y344 WeakPolarHBondContact OG1-CD1 3.48Å; T180-D346 WeakPolarHBondContact OG1-CB 3.39Å
181	A	56.1	Low	61.6	Low	48 Å²	48	53.8 Å²	53.8	40%	0.397	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	132.5	174.1	0	0	0	0	0	110.7	G151 I153	G151-A181 PolarHBondContact O-N 3.12Å; I153-A181 HydrophobicContact CD1-CB 4.17Å; I153-A181 HydrophobicContact CG1-CB 4.35Å
182	G	42.4	Very low	59.7	Low	75 Å²	75	58.7 Å²	58.7	77%	0.773	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	107.5	-12.2	-176.8	0	0	0	0	0	115.4	T180 S184	T180-G182 PolarHBondContact O-N 3.5Å; G182-S184 PolarHBondContact O-N 3.42Å
183	D	50	Low	58.7	Low	26 Å²	26	60.6 Å²	60.6	14%	0.139	35%	0.349	C	S	.	.			trans	-72.5	109.1	176.2	-95.2	-4	0	0	0	112.3	R179 T180 F185	R179-D183 HydrophobicContact CB-CB 4.43Å; R179-D183 WeakPolarHBondContact CD-OD2 3.44Å; T180-D183 PolarHBondContact O-N 3.1Å; D183-F185 HydrophobicContact CB-CD2 4.17Å; D183-F185 PolarHBondContact O-N 2.84Å
184	S	45.2	Very low	58.5	Low	106 Å²	106	60.7 Å²	60.7	74%	0.741	35%	0.347	S	S	*	.			trans	-78.3	23.8	180	57.5	0	0	0	0	115	G182 L186	G182-S184 PolarHBondContact O-N 3.42Å; S184-L186 PolarHBondContact O-N 3.41Å
185	F	44.8	Very low	59.1	Low	116 Å²	116	63.3 Å²	63.3	51%	0.509	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-80.1	126	-173.8	-75.7	-81	0	0	0	113.1	D183 Y207	D183-F185 HydrophobicContact CB-CD2 4.17Å; D183-F185 PolarHBondContact O-N 2.84Å; F185-Y207 PolarHBondContact O-OH 3.02Å
186	L	47.2	Very low	60	Low	124 Å²	124	64.3 Å²	64.3	65%	0.649	36%	0.36	S	S	*	.	P	Polyproline II helix	trans	-57.1	137.3	164.8	-68.1	167.1	0	0	0	110.7	S184 T188 G204	S184-L186 PolarHBondContact O-N 3.41Å; L186-T188 PolarHBondContact O-N 3.14Å; L186-G204 WeakPolarHBondContact CD2-O 3.5Å
187	M	49.5	Very low	61.3	Low	31 Å²	31	64.8 Å²	64.8	15%	0.153	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-67.4	124.5	169.8	-83.3	-116.2	-172.3	0	0	109.9	R155 R197 V201	R155-M187 HydrophobicContact CB-CE 3.82Å; M187-R197 PolarHBondContact SD-NH2 2.94Å; M187-V201 HydrophobicContact CE-CG1 4.47Å; M187-V201 HydrophobicContact CG-CG1 3.87Å
188	T	43.5	Very low	62.5	Low	95 Å²	95	63.9 Å²	63.9	58%	0.583	36%	0.357	S	S	*	.	P	Polyproline II helix	trans	-60.7	139.6	164	29.5	0	0	0	0	109.9	L186 Y190	L186-T188 PolarHBondContact O-N 3.14Å; T188-Y190 PolarHBondContact O-N 2.9Å
189	P	43.8	Very low	64	Low	96 Å²	96	63.9 Å²	63.9	62%	0.623	36%	0.357	S	S	*	.	S	Bend	trans	-60.5	4.4	-175.1	-22.6	30.6	0	0	0	117.2	V191	P189-V191 VanDerWaalsContact C-N 3.34Å; P189-V191 PolarHBondContact O-N 2.71Å; P189-V191 VanDerWaalsContact O-N 3.12Å
190	Y	41.9	Very low	65.1	Low	218 Å²	218	61.6 Å²	61.6	86%	0.855	35%	0.348	S	S	*	.			trans	-89.8	45.3	-165.4	-102.5	-81.3	0	0	0	114.9	T188	T188-Y190 PolarHBondContact O-N 2.9Å
191	V	53.3	Low	66.6	Low	25 Å²	25	60.9 Å²	60.9	15%	0.152	34%	0.344	C	S	.	.			trans	-128	131.2	178.8	-174	0	0	0	0	111.4	L177 P189 T193 R197	L177-V191 HydrophobicContact CD1-CG1 4.47Å; L177-V191 HydrophobicContact CD1-CG2 4.1Å; P189-V191 VanDerWaalsContact C-N 3.34Å; P189-V191 PolarHBondContact O-N 2.71Å; P189-V191 VanDerWaalsContact O-N 3.12Å; V191-T193 PolarHBondContact O-N 3.46Å; V191-R197 VanDerWaalsContact CG1-NH2 3.34Å
192	V	58.9	Low	68.3	Low	125 Å²	125	59.4 Å²	59.4	76%	0.758	33%	0.329	S	S	*	.	S	Bend	trans	-67.1	-33.2	-168.6	-177.8	0	0	0	0	112.4
193	T	74.5	Confident	70.7	Confident	40 Å²	40	56.7 Å²	56.7	25%	0.245	30%	0.297	C	S	.	.			trans	-129.8	125.5	-177.1	-47.6	0	0	0	0	110.2	V191 Y195 Y196	V191-T193 PolarHBondContact O-N 3.46Å; T193-Y195 HydrophobicContact CG2-CD2 3.44Å; T193-Y195 VanDerWaalsContact CG2-CD2 3.44Å; T193-Y195 HydrophobicContact CG2-CE2 3.87Å; T193-Y195 HydrophobicContact CG2-CG 3.86Å; T193-Y196 HydrophobicContact CG2-CD2 4.45Å; T193-Y196 HydrophobicContact CG2-CE2 4.17Å
194	R	87.8	Confident	72.4	Confident	38 Å²	38	56.7 Å²	56.7	14%	0.143	30%	0.302	C	S	.	.			trans	-115.4	0.3	-179.1	67.8	-174.1	64.4	79.7	-4.5	114.2	Y196 R197 G232 Y233 D234 Q238	R194-Y196 PolarHBondContact O-N 3.43Å; R194-Y196 VanDerWaalsContact O-N 3.14Å; R194-R197 HydrophobicContact CB-CG 4.47Å; R194-R197 WeakPolarHBondContact O-CB 3.35Å; R194-R197 PolarHBondContact O-N 3.36Å; R194-G232 PolarHBondContact NH1-O 3.48Å; R194-Y233 PolarHBondContact NH1-O 3.33Å; R194-Y233 PolarHBondContact NH2-O 3.12Å; R194-D234 VanDerWaalsContact CD-C 3.47Å; R194-D234 VanDerWaalsContact CD-O 3.26Å; R194-D234 WeakPolarHBondContact CD-O 3.36Å; R194-Q238 HydrophobicContact CG-CB 4.26Å; R194-Q238 HydrophobicContact CG-CG 4.18Å
195	Y	94.6	Very high	74.6	Confident	64 Å²	64	52.8 Å²	52.8	25%	0.251	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-29.4	-168.1	-53.3	-29.7	0	0	0	114.4	T193 I228 F230 P231 G232 Q238	T193-Y195 HydrophobicContact CG2-CD2 3.44Å; T193-Y195 VanDerWaalsContact CG2-CD2 3.44Å; T193-Y195 HydrophobicContact CG2-CE2 3.87Å; T193-Y195 HydrophobicContact CG2-CG 3.86Å; Y195-I228 HydrophobicContact CD2-CD1 3.66Å; Y195-I228 HydrophobicContact CD2-CG1 4.28Å; Y195-I228 HydrophobicContact CD2-CG2 3.78Å; Y195-I228 HydrophobicContact CE2-CD1 3.72Å; Y195-I228 HydrophobicContact CG-CG2 3.82Å; Y195-F230 WeakPolarHBondContact CA-O 3.16Å; Y195-F230 WeakPolarHBondContact CB-O 3.33Å; Y195-F230 WeakPolarHBondContact CD1-O 3.12Å; Y195-P231 HydrophobicContact CE1-CB 4.4Å; Y195-G232 VanDerWaalsContact CE1-O 3.3Å; Y195-G232 WeakPolarHBondContact CE1-O 3.31Å; Y195-Q238 PolarHBondContact O-NE2 2.91Å
196	Y	95.9	Very high	76.5	Confident	20 Å²	20	50.3 Å²	50.3	8%	0.078	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100	2.6	-178	-46.9	-85	0	0	0	112.8	L157 K158 P159 T193 R194 S215 C218 I219 E222	L157-Y196 WeakPolarHBondContact O-CB 3.4Å; K158-Y196 HydrophobicContact CB-CD2 3.37Å; K158-Y196 HydrophobicContact CB-CE2 3.64Å; K158-Y196 HydrophobicContact CB-CG 3.94Å; P159-Y196 VanDerWaalsContact CD-CE1 3.47Å; P159-Y196 WeakPolarHBondContact CD-OH 3.33Å; P159-Y196 HydrophobicContact CG-CE1 3.96Å; T193-Y196 HydrophobicContact CG2-CD2 4.45Å; T193-Y196 HydrophobicContact CG2-CE2 4.17Å; R194-Y196 PolarHBondContact O-N 3.43Å; R194-Y196 VanDerWaalsContact O-N 3.14Å; Y196-S215 WeakPolarHBondContact O-CA 3.38Å; Y196-S215 WeakPolarHBondContact O-CB 3.47Å; Y196-S215 PolarHBondContact O-OG 2.89Å; Y196-C218 HydrophobicContact CD1-CB 3.73Å; Y196-I219 HydrophobicContact CD1-CG1 3.97Å; Y196-I219 HydrophobicContact CE1-CG1 4.24Å; Y196-E222 WeakPolarHBondContact CE1-OE2 3.32Å; Y196-E222 VanDerWaalsContact CZ-OE2 3.22Å; Y196-E222 PolarHBondContact OH-OE2 3.07Å
197	R	93.9	Very high	78.4	Confident	12 Å²	12	46 Å²	46	5%	0.045	26%	0.256	C	S	.	.			trans	-76.3	138.4	-177.8	-68.9	-179.8	176	-166.9	-20.9	111.1	M187 V191 R194 I202 W214	M187-R197 PolarHBondContact SD-NH2 2.94Å; V191-R197 VanDerWaalsContact CG1-NH2 3.34Å; R194-R197 HydrophobicContact CB-CG 4.47Å; R194-R197 WeakPolarHBondContact O-CB 3.35Å; R194-R197 PolarHBondContact O-N 3.36Å; R197-I202 HydrophobicContact CB-CD1 4.34Å; R197-I202 HydrophobicContact CB-CG1 4.17Å; R197-I202 WeakPolarHBondContact O-CD1 3.23Å; R197-W214 PolarHBondContact O-NE1 3.04Å; R197-W214 VanDerWaalsContact O-NE1 3.08Å
198	A	95.7	Very high	80.4	Confident	1 Å²	1	46.9 Å²	46.9	1%	0.008	27%	0.265	C	S	.	.			trans	-63.6	148	176.1	0	0	0	0	0	112.5	E200 V201 I202 V211 W214	A198-E200 VanDerWaalsContact C-N 3.28Å; A198-E200 VanDerWaalsContact CB-CD 3.44Å; A198-E200 HydrophobicContact CB-CG 4.27Å; A198-E200 WeakPolarHBondContact CB-OE1 3.3Å; A198-E200 WeakPolarHBondContact CB-OE2 3.38Å; A198-E200 PolarHBondContact O-N 2.79Å; A198-V201 HydrophobicContact CB-CG2 4.27Å; A198-V201 WeakPolarHBondContact O-CB 3.4Å; A198-V201 PolarHBondContact O-N 2.91Å; A198-I202 PolarHBondContact O-N 2.98Å; A198-I202 VanDerWaalsContact O-N 3.13Å; A198-V211 HydrophobicContact CB-CB 3.95Å; A198-V211 HydrophobicContact CB-CG1 3.94Å; A198-W214 HydrophobicContact CB-CB 3.77Å; A198-W214 HydrophobicContact CB-CD2 4.44Å; A198-W214 HydrophobicContact CB-CG 3.76Å
199	P	95.2	Very high	82.8	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-59.9	-37.4	-177.7	-14.2	22.5	0	0	0	112.9	V201 I202 L203 W214 W239 I242 I310	P199-V201 VanDerWaalsContact C-N 3.25Å; P199-V201 PolarHBondContact O-N 3.19Å; P199-I202 WeakPolarHBondContact O-CB 3.46Å; P199-I202 PolarHBondContact O-N 2.98Å; P199-I202 VanDerWaalsContact O-N 3.12Å; P199-L203 WeakPolarHBondContact O-CB 3.5Å; P199-L203 VanDerWaalsContact O-CG 3.31Å; P199-L203 WeakPolarHBondContact O-CG 3.39Å; P199-L203 PolarHBondContact O-N 2.91Å; P199-W214 HydrophobicContact CG-CD2 4.3Å; P199-W214 HydrophobicContact CG-CE3 4.07Å; P199-W214 HydrophobicContact CG-CH2 3.5Å; P199-W214 HydrophobicContact CG-CZ2 3.78Å; P199-W214 HydrophobicContact CG-CZ3 3.66Å; P199-W239 HydrophobicContact CB-CE3 4.12Å; P199-W239 HydrophobicContact CB-CZ3 3.73Å; P199-I242 HydrophobicContact CB-CD1 4.44Å; P199-I242 HydrophobicContact CG-CD1 4.23Å; P199-I242 HydrophobicContact CG-CG2 4.24Å; P199-I310 HydrophobicContact CB-CG2 4.32Å; P199-I310 HydrophobicContact CG-CG1 4.48Å; P199-I310 HydrophobicContact CG-CG2 4.29Å
200	E	93.9	Very high	85.2	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-61.6	-32.9	176.2	63.3	-88.8	-156.3	0	0	112.6	A198 G204 M205 V211 P312 R315	A198-E200 VanDerWaalsContact C-N 3.28Å; A198-E200 VanDerWaalsContact CB-CD 3.44Å; A198-E200 HydrophobicContact CB-CG 4.27Å; A198-E200 WeakPolarHBondContact CB-OE1 3.3Å; A198-E200 WeakPolarHBondContact CB-OE2 3.38Å; A198-E200 PolarHBondContact O-N 2.79Å; E200-G204 PolarHBondContact O-N 3.22Å; E200-M205 HydrophobicContact CB-CB 3.99Å; E200-M205 HydrophobicContact CB-CG 4.36Å; E200-M205 HydrophobicContact CB-SD 3.76Å; E200-M205 WeakPolarHBondContact O-CB 3.4Å; E200-M205 PolarHBondContact O-N 3.45Å; E200-V211 HydrophobicContact CG-CG1 4Å; E200-V211 WeakPolarHBondContact OE1-CG1 3.49Å; E200-P312 HydrophobicContact CB-CG 4.44Å; E200-P312 HydrophobicContact CG-CG 4.35Å; E200-R315 IonicContact OE1-CZ 3.61Å; E200-R315 IonicContact OE1-NH1 3.08Å; E200-R315 PolarHBondContact OE1-NH1 3.48Å; E200-R315 IonicContact OE1-NH2 3.9Å; E200-R315 PolarHBondContact OE1-NH2 2.68Å; E200-R315 IonicContact OE2-CZ 3.51Å; E200-R315 IonicContact OE2-NH1 3.63Å; E200-R315 IonicContact OE2-NH2 3.91Å; E200-R315 PolarHBondContact OE2-NH2 3Å
201	V	91.3	Very high	87.8	Confident	19 Å²	19	32.3 Å²	32.3	12%	0.115	19%	0.19	C	C	.	.	H	α-helix	trans	-72.8	-40.2	174.4	-179.6	0	0	0	0	110.6	M187 A198 P199 L203 G204 Y207 V211	M187-V201 HydrophobicContact CE-CG1 4.47Å; M187-V201 HydrophobicContact CG-CG1 3.87Å; A198-V201 HydrophobicContact CB-CG2 4.27Å; A198-V201 WeakPolarHBondContact O-CB 3.4Å; A198-V201 PolarHBondContact O-N 2.91Å; P199-V201 VanDerWaalsContact C-N 3.25Å; P199-V201 PolarHBondContact O-N 3.19Å; V201-L203 VanDerWaalsContact C-N 3.33Å; V201-G204 PolarHBondContact O-N 2.96Å; V201-Y207 HydrophobicContact CG2-CD1 4.09Å; V201-Y207 HydrophobicContact CG2-CG 4.17Å; V201-V211 HydrophobicContact CG2-CB 4.23Å; V201-V211 HydrophobicContact CG2-CG1 3.61Å
202	I	91.2	Very high	89.9	Confident	17 Å²	17	31.1 Å²	31.1	9%	0.087	18%	0.183	C	C	.	.	H	α-helix	trans	-64.6	-40	178.1	-66.6	157.6	0	0	0	111	R197 A198 P199 G204 H235 Q238 W239 I242	R197-I202 HydrophobicContact CB-CD1 4.34Å; R197-I202 HydrophobicContact CB-CG1 4.17Å; R197-I202 WeakPolarHBondContact O-CD1 3.23Å; A198-I202 PolarHBondContact O-N 2.98Å; A198-I202 VanDerWaalsContact O-N 3.13Å; P199-I202 WeakPolarHBondContact O-CB 3.46Å; P199-I202 PolarHBondContact O-N 2.98Å; P199-I202 VanDerWaalsContact O-N 3.12Å; I202-G204 VanDerWaalsContact C-N 3.3Å; I202-H235 HydrophobicContact CG2-CB 4.12Å; I202-H235 VanDerWaalsContact CG2-O 3.25Å; I202-H235 WeakPolarHBondContact CG2-O 3.49Å; I202-Q238 HydrophobicContact CD1-CB 4.23Å; I202-Q238 HydrophobicContact CD1-CG 3.33Å; I202-Q238 HydrophobicContact CG1-CG 4.19Å; I202-W239 HydrophobicContact CG2-CB 4.28Å; I202-I242 HydrophobicContact CD1-CD1 3.62Å
203	L	91.6	Very high	91.8	Very high	18 Å²	18	25.2 Å²	25.2	9%	0.094	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-1.9	-179.1	-65.3	178.3	0	0	0	113.7	P199 V201 M205 W239 F253 L257 V261 V265	P199-L203 WeakPolarHBondContact O-CB 3.5Å; P199-L203 VanDerWaalsContact O-CG 3.31Å; P199-L203 WeakPolarHBondContact O-CG 3.39Å; P199-L203 PolarHBondContact O-N 2.91Å; V201-L203 VanDerWaalsContact C-N 3.33Å; L203-M205 VanDerWaalsContact C-N 3.3Å; L203-M205 HydrophobicContact CB-CG 4.18Å; L203-M205 HydrophobicContact CB-SD 4.45Å; L203-M205 HydrophobicContact CD1-SD 4.47Å; L203-M205 PolarHBondContact O-N 2.78Å; L203-W239 HydrophobicContact CD1-CD2 4.36Å; L203-W239 HydrophobicContact CD1-CE3 3.87Å; L203-W239 HydrophobicContact CD1-CH2 3.85Å; L203-W239 HydrophobicContact CD1-CZ2 4.35Å; L203-W239 HydrophobicContact CD1-CZ3 3.6Å; L203-W239 HydrophobicContact CD2-CD2 3.99Å; L203-W239 HydrophobicContact CD2-CE3 4.12Å; L203-W239 HydrophobicContact CD2-CG 4.26Å; L203-W239 HydrophobicContact CG-CD2 4.43Å; L203-W239 HydrophobicContact CG-CE3 4.05Å; L203-W239 HydrophobicContact CG-CZ3 4.28Å; L203-F253 HydrophobicContact CD1-CE1 3.81Å; L203-F253 HydrophobicContact CD1-CZ 3.86Å; L203-L257 HydrophobicContact CB-CD2 4.18Å; L203-L257 HydrophobicContact CD1-CD1 4.36Å; L203-L257 HydrophobicContact CD1-CD2 3.78Å; L203-V261 HydrophobicContact CB-CG1 4.14Å; L203-V261 HydrophobicContact CD2-CG1 3.88Å; L203-V265 HydrophobicContact CD2-CG2 3.75Å
204	G	87.6	Confident	92.9	Very high	25 Å²	25	23.3 Å²	23.3	26%	0.258	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.4	25.7	178.8	0	0	0	0	0	114.2	L186 E200 V201 I202	L186-G204 WeakPolarHBondContact CD2-O 3.5Å; E200-G204 PolarHBondContact O-N 3.22Å; V201-G204 PolarHBondContact O-N 2.96Å; I202-G204 VanDerWaalsContact C-N 3.3Å
205	M	89.6	Confident	93.4	Very high	24 Å²	24	21.7 Å²	21.7	12%	0.118	13%	0.13	C	C	.	.			trans	-73.8	160.2	172.8	-57.9	170.6	71.7	0	0	110.3	E200 L203 Y207 F253 R256 L257	E200-M205 HydrophobicContact CB-CB 3.99Å; E200-M205 HydrophobicContact CB-CG 4.36Å; E200-M205 HydrophobicContact CB-SD 3.76Å; E200-M205 WeakPolarHBondContact O-CB 3.4Å; E200-M205 PolarHBondContact O-N 3.45Å; L203-M205 VanDerWaalsContact C-N 3.3Å; L203-M205 HydrophobicContact CB-CG 4.18Å; L203-M205 HydrophobicContact CB-SD 4.45Å; L203-M205 HydrophobicContact CD1-SD 4.47Å; L203-M205 PolarHBondContact O-N 2.78Å; M205-Y207 WeakPolarHBondContact O-CD1 3.42Å; M205-F253 HydrophobicContact CE-CE2 4.04Å; M205-F253 HydrophobicContact CE-CZ 4.27Å; M205-F253 HydrophobicContact SD-CE1 4.44Å; M205-F253 HydrophobicContact SD-CE2 3.93Å; M205-F253 HydrophobicContact SD-CZ 3.66Å; M205-R256 HydrophobicContact CE-CB 4.02Å; M205-L257 HydrophobicContact CE-CD2 4.01Å; M205-L257 HydrophobicContact CG-CD2 3.53Å; M205-L257 HydrophobicContact SD-CD2 3.32Å; M205-L257 WeakPolarHBondContact SD-CD2 3.1Å
206	G	85.7	Confident	93.6	Very high	65 Å²	65	18.7 Å²	18.7	67%	0.67	12%	0.119	S	C	*	.			trans	-59.9	140.5	159.1	0	0	0	0	0	110
207	Y	87.9	Confident	93.8	Very high	33 Å²	33	17.8 Å²	17.8	13%	0.129	12%	0.115	C	C	.	.			trans	-135	159	-177.2	57	-94.5	0	0	0	111.2	R155 F185 V201 M205 V211	R155-Y207 PolarHBondContact NH1-OH 2.92Å; F185-Y207 PolarHBondContact O-OH 3.02Å; V201-Y207 HydrophobicContact CG2-CD1 4.09Å; V201-Y207 HydrophobicContact CG2-CG 4.17Å; M205-Y207 WeakPolarHBondContact O-CD1 3.42Å; Y207-V211 HydrophobicContact CD2-CG1 4Å; Y207-V211 HydrophobicContact CD2-CG2 4.43Å; Y207-V211 HydrophobicContact CG-CG1 3.95Å
208	S	91.1	Very high	94	Very high	50 Å²	50	17.3 Å²	17.3	35%	0.35	11%	0.113	S	C	.	.			trans	-116	-172	174.2	67.6	0	0	0	0	110.4	N210 V211	S208-N210 PolarHBondContact O-N 3.37Å; S208-N210 VanDerWaalsContact O-N 3.07Å; S208-V211 WeakPolarHBondContact O-CG1 3.42Å; S208-V211 WeakPolarHBondContact O-CG2 3.45Å; S208-V211 PolarHBondContact O-N 2.87Å
209	E	93.5	Very high	94.1	Very high	82 Å²	82	17.3 Å²	17.3	38%	0.383	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-19.5	176.2	66.9	-83.9	178.2	0	0	114.3	H148 I153 V211 D212	H148-E209 HydrophobicContact CB-CB 4.45Å; H148-E209 HydrophobicContact CB-CG 4.48Å; H148-E209 PolarHBondContact CE1-O 3.18Å; H148-E209 PolarHBondContact NE2-O 2.78Å; I153-E209 HydrophobicContact CD1-CB 4.37Å; I153-E209 HydrophobicContact CG1-CB 4.02Å; E209-V211 PolarHBondContact O-N 3.46Å; E209-D212 WeakPolarHBondContact O-CB 3.46Å; E209-D212 PolarHBondContact O-N 2.7Å
210	N	94.7	Very high	94.2	Very high	19 Å²	19	17.3 Å²	17.3	10%	0.102	11%	0.113	C	C	.	.	H	α-helix	trans	-64.5	-11.5	179.7	-150.9	-12.4	0	0	0	114.2	S208 D212 I213 W214 P312 R315 I316	S208-N210 PolarHBondContact O-N 3.37Å; S208-N210 VanDerWaalsContact O-N 3.07Å; N210-D212 PolarHBondContact O-N 3.04Å; N210-I213 PolarHBondContact O-N 3.3Å; N210-I213 WeakPolarHBondContact OD1-CB 3.48Å; N210-W214 PolarHBondContact O-N 3.27Å; N210-P312 PolarHBondContact ND2-O 3.49Å; N210-R315 PolarHBondContact ND2-O 2.81Å; N210-R315 VanDerWaalsContact ND2-O 3.09Å; N210-R315 PolarHBondContact O-NH1 3.34Å; N210-R315 VanDerWaalsContact OD1-CD 3.3Å; N210-R315 WeakPolarHBondContact OD1-CD 3.41Å; N210-I316 PolarHBondContact OD1-O 2.86Å
211	V	96.2	Very high	94.4	Very high	2 Å²	2	17.3 Å²	17.3	1%	0.012	11%	0.113	C	C	.	.	H	α-helix	trans	-62.3	-29.5	170.7	-61.9	0	0	0	0	112.5	I153 R155 A198 E200 V201 Y207 S208 E209 S215	I153-V211 HydrophobicContact CG2-CG2 3.55Å; R155-V211 HydrophobicContact CG-CG2 4.26Å; A198-V211 HydrophobicContact CB-CB 3.95Å; A198-V211 HydrophobicContact CB-CG1 3.94Å; E200-V211 HydrophobicContact CG-CG1 4Å; E200-V211 WeakPolarHBondContact OE1-CG1 3.49Å; V201-V211 HydrophobicContact CG2-CB 4.23Å; V201-V211 HydrophobicContact CG2-CG1 3.61Å; Y207-V211 HydrophobicContact CD2-CG1 4Å; Y207-V211 HydrophobicContact CD2-CG2 4.43Å; Y207-V211 HydrophobicContact CG-CG1 3.95Å; S208-V211 WeakPolarHBondContact O-CG1 3.42Å; S208-V211 WeakPolarHBondContact O-CG2 3.45Å; S208-V211 PolarHBondContact O-N 2.87Å; E209-V211 PolarHBondContact O-N 3.46Å; V211-S215 PolarHBondContact O-N 2.84Å; V211-S215 PolarHBondContact O-OG 3.22Å
212	D	97.3	Very high	94.7	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-71.5	-36	178.6	-70.3	-25.5	0	0	0	110.4	V144 H148 I153 H154 R155 L157 E209 N210 W214 S215 V216	V144-D212 HydrophobicContact CG1-CB 4.02Å; H148-D212 IonicContact CD2-OD2 3.08Å; H148-D212 IonicContact CE1-OD2 3.9Å; H148-D212 IonicContact NE2-OD2 3.77Å; H148-D212 PolarHBondContact NE2-OD2 3.15Å; I153-D212 WeakPolarHBondContact CG2-OD2 3.44Å; H154-D212 PolarHBondContact N-OD2 2.89Å; R155-D212 PolarHBondContact N-OD1 2.7Å; L157-D212 HydrophobicContact CD1-CB 3.75Å; E209-D212 WeakPolarHBondContact O-CB 3.46Å; E209-D212 PolarHBondContact O-N 2.7Å; N210-D212 PolarHBondContact O-N 3.04Å; D212-W214 PolarHBondContact O-N 3.33Å; D212-S215 WeakPolarHBondContact O-CA 3.34Å; D212-S215 VanDerWaalsContact O-CB 3.3Å; D212-S215 WeakPolarHBondContact O-CB 3.5Å; D212-S215 PolarHBondContact O-N 3.22Å; D212-S215 VanDerWaalsContact O-N 3.07Å; D212-V216 WeakPolarHBondContact O-CG2 3.29Å; D212-V216 PolarHBondContact O-N 3.47Å
213	I	98.5	Very high	94.9	Very high	1 Å²	1	17.3 Å²	17.3	1%	0.005	11%	0.112	C	C	.	.	H	α-helix	trans	-65	-38.9	176.2	-57.8	-56.7	0	0	0	112.1	L141 V144 N210 S215 V216 G217 M307 R315 I316 V318	L141-I213 HydrophobicContact CD2-CD1 4.03Å; V144-I213 HydrophobicContact CG1-CD1 4.47Å; N210-I213 PolarHBondContact O-N 3.3Å; N210-I213 WeakPolarHBondContact OD1-CB 3.48Å; I213-S215 VanDerWaalsContact C-N 3.27Å; I213-S215 PolarHBondContact O-N 3.41Å; I213-V216 PolarHBondContact O-N 2.85Å; I213-G217 PolarHBondContact O-N 3.35Å; I213-M307 HydrophobicContact CG2-CB 4.29Å; I213-M307 HydrophobicContact CG2-CG 3.94Å; I213-R315 HydrophobicContact CG2-CG 4.22Å; I213-I316 HydrophobicContact CG2-CG2 3.88Å; I213-V318 HydrophobicContact CD1-CB 3.83Å; I213-V318 HydrophobicContact CD1-CG2 4.06Å
214	W	98.5	Very high	95.2	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-58	-44.5	170.9	174.2	-82.4	0	0	0	111.5	R197 A198 P199 N210 D212 V216 G217 C218 F230 I242 L246 I310	R197-W214 PolarHBondContact O-NE1 3.04Å; R197-W214 VanDerWaalsContact O-NE1 3.08Å; A198-W214 HydrophobicContact CB-CB 3.77Å; A198-W214 HydrophobicContact CB-CD2 4.44Å; A198-W214 HydrophobicContact CB-CG 3.76Å; P199-W214 HydrophobicContact CG-CD2 4.3Å; P199-W214 HydrophobicContact CG-CE3 4.07Å; P199-W214 HydrophobicContact CG-CH2 3.5Å; P199-W214 HydrophobicContact CG-CZ2 3.78Å; P199-W214 HydrophobicContact CG-CZ3 3.66Å; N210-W214 PolarHBondContact O-N 3.27Å; D212-W214 PolarHBondContact O-N 3.33Å; W214-V216 VanDerWaalsContact C-N 3.34Å; W214-V216 PolarHBondContact O-N 2.73Å; W214-G217 PolarHBondContact O-N 3.33Å; W214-C218 PolarHBondContact NE1-SG 3.07Å; W214-C218 PolarHBondContact O-N 2.93Å; W214-C218 PolarHBondContact O-SG 3.34Å; W214-C218 VanDerWaalsContact O-SG 3.35Å; W214-F230 HydrophobicContact CH2-CE2 4.19Å; W214-F230 HydrophobicContact CZ2-CD2 4.13Å; W214-F230 AromaticContact CZ2-CE2 3.66Å; W214-F230 HydrophobicContact CZ2-CE2 3.66Å; W214-F230 HydrophobicContact CZ2-CZ 4.38Å; W214-I242 HydrophobicContact CH2-CG1 4.43Å; W214-I242 HydrophobicContact CH2-CG2 3.85Å; W214-I242 HydrophobicContact CZ2-CD1 3.89Å; W214-I242 HydrophobicContact CZ2-CG1 4Å; W214-I242 HydrophobicContact CZ2-CG2 4.26Å; W214-L246 HydrophobicContact CH2-CD1 3.6Å; W214-L246 HydrophobicContact CZ3-CD1 4.01Å; W214-I310 HydrophobicContact CZ3-CG1 4.49Å
215	S	98.1	Very high	95.5	Very high	4 Å²	4	16.6 Å²	16.6	3%	0.028	10%	0.103	C	C	.	.	H	α-helix	trans	-62.8	-42.9	-179.8	-50.8	0	0	0	0	110.7	Y196 V211 D212 I213 C218 I219	Y196-S215 WeakPolarHBondContact O-CA 3.38Å; Y196-S215 WeakPolarHBondContact O-CB 3.47Å; Y196-S215 PolarHBondContact O-OG 2.89Å; V211-S215 PolarHBondContact O-N 2.84Å; V211-S215 PolarHBondContact O-OG 3.22Å; D212-S215 WeakPolarHBondContact O-CA 3.34Å; D212-S215 VanDerWaalsContact O-CB 3.3Å; D212-S215 WeakPolarHBondContact O-CB 3.5Å; D212-S215 PolarHBondContact O-N 3.22Å; D212-S215 VanDerWaalsContact O-N 3.07Å; I213-S215 VanDerWaalsContact C-N 3.27Å; I213-S215 PolarHBondContact O-N 3.41Å; S215-C218 PolarHBondContact O-N 2.86Å; S215-I219 WeakPolarHBondContact O-CD1 3.49Å; S215-I219 VanDerWaalsContact O-CG1 3.29Å; S215-I219 WeakPolarHBondContact O-CG1 3.42Å; S215-I219 PolarHBondContact O-N 3.48Å
216	V	98.6	Very high	95.7	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.006	12%	0.124	C	C	.	.	H	α-helix	trans	-60.8	-43.5	173.1	176.6	0	0	0	0	111.2	L137 V140 L141 V144 L157 D212 I213 W214 C218 I219 F220 M307	L137-V216 HydrophobicContact CD2-CG1 4.18Å; V140-V216 HydrophobicContact CG1-CG1 4.35Å; V140-V216 HydrophobicContact CG1-CG2 3.61Å; L141-V216 HydrophobicContact CD2-CG1 4.31Å; V144-V216 HydrophobicContact CG2-CG2 4.43Å; L157-V216 HydrophobicContact CD1-CG2 4.01Å; D212-V216 WeakPolarHBondContact O-CG2 3.29Å; D212-V216 PolarHBondContact O-N 3.47Å; I213-V216 PolarHBondContact O-N 2.85Å; W214-V216 VanDerWaalsContact C-N 3.34Å; W214-V216 PolarHBondContact O-N 2.73Å; V216-C218 VanDerWaalsContact C-N 3.33Å; V216-C218 PolarHBondContact O-N 3.46Å; V216-I219 PolarHBondContact O-N 2.92Å; V216-F220 WeakPolarHBondContact O-CB 3.34Å; V216-F220 PolarHBondContact O-N 3.3Å; V216-M307 HydrophobicContact CG1-CE 3.99Å; V216-M307 HydrophobicContact CG1-SD 4.18Å
217	G	98.7	Very high	96.1	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-60.3	-39.9	175.1	0	0	0	0	0	113.1	I213 W214 F220 A221	I213-G217 PolarHBondContact O-N 3.35Å; W214-G217 PolarHBondContact O-N 3.33Å; G217-F220 PolarHBondContact O-N 3.48Å; G217-A221 WeakPolarHBondContact O-CB 3.37Å; G217-A221 PolarHBondContact O-N 3.26Å
218	C	98.5	Very high	96.5	Very high	2 Å²	2	24.5 Å²	24.5	1%	0.014	12%	0.119	C	C	.	.	H	α-helix	trans	-67.1	-39.1	175.3	-67.9	0	0	0	0	112.2	Y196 W214 S215 V216 A221 E222	Y196-C218 HydrophobicContact CD1-CB 3.73Å; W214-C218 PolarHBondContact NE1-SG 3.07Å; W214-C218 PolarHBondContact O-N 2.93Å; W214-C218 PolarHBondContact O-SG 3.34Å; W214-C218 VanDerWaalsContact O-SG 3.35Å; S215-C218 PolarHBondContact O-N 2.86Å; V216-C218 VanDerWaalsContact C-N 3.33Å; V216-C218 PolarHBondContact O-N 3.46Å; C218-A221 PolarHBondContact O-N 3.36Å; C218-E222 PolarHBondContact O-N 2.85Å
219	I	97.9	Very high	96.7	Very high	2 Å²	2	22.5 Å²	22.5	1%	0.01	11%	0.105	C	C	.	.	H	α-helix	trans	-64.5	-45.6	174.8	-68.8	159.5	0	0	0	110.1	L120 L157 P159 I162 Y196 S215 V216 A221 E222 M223	L120-I219 HydrophobicContact CD2-CG2 3.35Å; L157-I219 HydrophobicContact CB-CD1 4.32Å; P159-I219 HydrophobicContact CG-CG1 4.12Å; P159-I219 HydrophobicContact CG-CG2 4.5Å; I162-I219 HydrophobicContact CD1-CD1 3.75Å; Y196-I219 HydrophobicContact CD1-CG1 3.97Å; Y196-I219 HydrophobicContact CE1-CG1 4.24Å; S215-I219 WeakPolarHBondContact O-CD1 3.49Å; S215-I219 VanDerWaalsContact O-CG1 3.29Å; S215-I219 WeakPolarHBondContact O-CG1 3.42Å; S215-I219 PolarHBondContact O-N 3.48Å; V216-I219 PolarHBondContact O-N 2.92Å; I219-A221 VanDerWaalsContact C-N 3.34Å; I219-A221 PolarHBondContact O-N 3.05Å; I219-E222 WeakPolarHBondContact O-CB 3.48Å; I219-E222 PolarHBondContact O-N 3.11Å; I219-E222 VanDerWaalsContact O-N 3.13Å; I219-M223 HydrophobicContact CG2-SD 4.31Å; I219-M223 WeakPolarHBondContact O-CG 3.49Å; I219-M223 PolarHBondContact O-N 3.27Å
220	F	98.4	Very high	96.9	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-61.5	-43.7	177.4	-174.7	-165	0	0	0	111.2	T133 L137 V216 G217 E222 M223 V224 A300 L303 L304 Y326	T133-F220 HydrophobicContact CG2-CD2 4.1Å; T133-F220 HydrophobicContact CG2-CE2 3.65Å; L137-F220 HydrophobicContact CD1-CB 4.31Å; L137-F220 HydrophobicContact CD1-CD1 3.75Å; L137-F220 HydrophobicContact CD1-CD2 3.49Å; L137-F220 VanDerWaalsContact CD1-CD2 3.49Å; L137-F220 HydrophobicContact CD1-CE1 3.84Å; L137-F220 HydrophobicContact CD1-CE2 3.6Å; L137-F220 HydrophobicContact CD1-CG 3.58Å; L137-F220 HydrophobicContact CD1-CZ 3.75Å; L137-F220 HydrophobicContact CD2-CB 3.8Å; L137-F220 HydrophobicContact CD2-CD2 4.37Å; L137-F220 HydrophobicContact CD2-CG 4.02Å; L137-F220 HydrophobicContact CG-CD2 4.43Å; L137-F220 HydrophobicContact CG-CG 4.43Å; V216-F220 WeakPolarHBondContact O-CB 3.34Å; V216-F220 PolarHBondContact O-N 3.3Å; G217-F220 PolarHBondContact O-N 3.48Å; F220-E222 VanDerWaalsContact C-N 3.26Å; F220-E222 PolarHBondContact O-N 3.08Å; F220-M223 WeakPolarHBondContact O-CB 3.42Å; F220-M223 PolarHBondContact O-N 3.27Å; F220-M223 VanDerWaalsContact O-N 3.14Å; F220-V224 HydrophobicContact CD2-CG2 3.91Å; F220-V224 HydrophobicContact CE2-CG2 3.65Å; F220-V224 WeakPolarHBondContact O-CG2 3.12Å; F220-V224 PolarHBondContact O-N 3Å; F220-V224 VanDerWaalsContact O-N 3.08Å; F220-A300 WeakPolarHBondContact CE1-O 3.48Å; F220-A300 HydrophobicContact CZ-CB 3.82Å; F220-L303 HydrophobicContact CE1-CB 4.22Å; F220-L303 HydrophobicContact CE1-CD2 4.04Å; F220-L303 HydrophobicContact CE1-CG 4.25Å; F220-L304 HydrophobicContact CB-CD2 3.92Å; F220-L304 HydrophobicContact CD1-CD1 4.42Å; F220-L304 HydrophobicContact CD1-CD2 3.52Å; F220-L304 HydrophobicContact CD1-CG 3.57Å; F220-L304 HydrophobicContact CE1-CD1 4.3Å; F220-L304 HydrophobicContact CE1-CD2 4.17Å; F220-L304 HydrophobicContact CE1-CG 3.68Å; F220-L304 HydrophobicContact CG-CD2 3.76Å; F220-L304 HydrophobicContact CG-CG 4.17Å; F220-L304 HydrophobicContact CZ-CG 4.35Å; F220-Y326 HydrophobicContact CE1-CD1 4.47Å; F220-Y326 HydrophobicContact CE1-CE1 4.35Å; F220-Y326 HydrophobicContact CE2-CE1 4.15Å; F220-Y326 HydrophobicContact CZ-CD1 4.07Å; F220-Y326 AromaticContact CZ-CE1 3.55Å; F220-Y326 HydrophobicContact CZ-CE1 3.55Å
221	A	98.1	Very high	96.9	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-59.3	-38.5	174.7	0	0	0	0	0	112.4	G217 C218 I219 V224 L225 L229 F280 L304 L308	G217-A221 WeakPolarHBondContact O-CB 3.37Å; G217-A221 PolarHBondContact O-N 3.26Å; C218-A221 PolarHBondContact O-N 3.36Å; I219-A221 VanDerWaalsContact C-N 3.34Å; I219-A221 PolarHBondContact O-N 3.05Å; A221-V224 PolarHBondContact O-N 3.18Å; A221-L225 VanDerWaalsContact O-CB 3.28Å; A221-L225 WeakPolarHBondContact O-CB 3.16Å; A221-L225 VanDerWaalsContact O-CG 3.31Å; A221-L225 WeakPolarHBondContact O-CG 3.37Å; A221-L225 PolarHBondContact O-N 2.99Å; A221-L229 HydrophobicContact CB-CB 4.17Å; A221-L229 HydrophobicContact CB-CD2 3.69Å; A221-L229 HydrophobicContact CB-CG 4.43Å; A221-F280 HydrophobicContact CB-CE1 3.63Å; A221-F280 HydrophobicContact CB-CZ 3.73Å; A221-L304 HydrophobicContact CB-CD2 4.04Å; A221-L308 HydrophobicContact CB-CD1 4.25Å
222	E	96.7	Very high	96.8	Very high	20 Å²	20	20.1 Å²	20.1	9%	0.093	10%	0.097	C	C	.	.	H	α-helix	trans	-68.7	-35.7	176.1	-171	175.1	153.4	0	0	112.5	I124 Y196 C218 I219 F220 V224 E226	I124-E222 HydrophobicContact CD1-CB 4.42Å; I124-E222 HydrophobicContact CD1-CG 3.99Å; I124-E222 HydrophobicContact CG2-CG 4.22Å; Y196-E222 WeakPolarHBondContact CE1-OE2 3.32Å; Y196-E222 VanDerWaalsContact CZ-OE2 3.22Å; Y196-E222 PolarHBondContact OH-OE2 3.07Å; C218-E222 PolarHBondContact O-N 2.85Å; I219-E222 WeakPolarHBondContact O-CB 3.48Å; I219-E222 PolarHBondContact O-N 3.11Å; I219-E222 VanDerWaalsContact O-N 3.13Å; F220-E222 VanDerWaalsContact C-N 3.26Å; F220-E222 PolarHBondContact O-N 3.08Å; E222-V224 VanDerWaalsContact C-N 3.29Å; E222-V224 PolarHBondContact O-N 2.82Å; E222-E226 VanDerWaalsContact O-CA 3.25Å; E222-E226 WeakPolarHBondContact O-CA 3.36Å; E222-E226 PolarHBondContact O-N 2.93Å
223	M	96.5	Very high	96.4	Very high	16 Å²	16	27.7 Å²	27.7	8%	0.079	13%	0.127	C	C	.	.	H	α-helix	trans	-63.8	-33.4	172.7	-67	171.4	75.9	0	0	112.5	L120 I124 L128 T133 L136 L137 I219 F220	L120-M223 HydrophobicContact CD2-SD 4.45Å; I124-M223 HydrophobicContact CD1-CG 4.28Å; I124-M223 HydrophobicContact CG1-CG 3.69Å; L128-M223 HydrophobicContact CD1-CE 3.53Å; T133-M223 HydrophobicContact CG2-CE 3.9Å; L136-M223 HydrophobicContact CB-CE 4.2Å; L136-M223 HydrophobicContact CD1-CE 3.78Å; L137-M223 HydrophobicContact CD2-SD 4.43Å; I219-M223 HydrophobicContact CG2-SD 4.31Å; I219-M223 WeakPolarHBondContact O-CG 3.49Å; I219-M223 PolarHBondContact O-N 3.27Å; F220-M223 WeakPolarHBondContact O-CB 3.42Å; F220-M223 PolarHBondContact O-N 3.27Å; F220-M223 VanDerWaalsContact O-N 3.14Å
224	V	96	Very high	95.9	Very high	13 Å²	13	30.4 Å²	30.4	8%	0.079	14%	0.141	C	C	.	.	H	α-helix	trans	-83.5	-38.8	179.2	173.5	0	0	0	0	112.1	F220 A221 E222 F280 R284 F285 L304	F220-V224 HydrophobicContact CD2-CG2 3.91Å; F220-V224 HydrophobicContact CE2-CG2 3.65Å; F220-V224 WeakPolarHBondContact O-CG2 3.12Å; F220-V224 PolarHBondContact O-N 3Å; F220-V224 VanDerWaalsContact O-N 3.08Å; A221-V224 PolarHBondContact O-N 3.18Å; E222-V224 VanDerWaalsContact C-N 3.29Å; E222-V224 PolarHBondContact O-N 2.82Å; V224-F280 HydrophobicContact CB-CD1 4.46Å; V224-F280 HydrophobicContact CG1-CD1 4.01Å; V224-R284 HydrophobicContact CG1-CB 4.07Å; V224-F285 HydrophobicContact CB-CE1 4.28Å; V224-F285 HydrophobicContact CG1-CD1 3.89Å; V224-F285 HydrophobicContact CG1-CD2 4.5Å; V224-F285 HydrophobicContact CG1-CE1 3.53Å; V224-F285 HydrophobicContact CG1-CE2 4.2Å; V224-F285 HydrophobicContact CG1-CG 4.38Å; V224-F285 HydrophobicContact CG1-CZ 3.72Å; V224-F285 HydrophobicContact CG2-CD1 4.14Å; V224-F285 HydrophobicContact CG2-CE1 3.66Å; V224-F285 HydrophobicContact CG2-CZ 4.46Å; V224-L304 HydrophobicContact CG2-CD1 4.39Å
225	L	94.9	Very high	95.3	Very high	15 Å²	15	33.5 Å²	33.5	8%	0.079	16%	0.156	C	C	.	.	H	α-helix	trans	-95.9	-9.8	-173.3	-62.1	176.5	0	0	0	113.9	A221 R227 L229 F280 R284	A221-L225 VanDerWaalsContact O-CB 3.28Å; A221-L225 WeakPolarHBondContact O-CB 3.16Å; A221-L225 VanDerWaalsContact O-CG 3.31Å; A221-L225 WeakPolarHBondContact O-CG 3.37Å; A221-L225 PolarHBondContact O-N 2.99Å; L225-R227 HydrophobicContact CB-CG 3.92Å; L225-R227 PolarHBondContact O-N 3.45Å; L225-L229 HydrophobicContact CD1-CD1 3.93Å; L225-F280 HydrophobicContact CD1-CD1 4.02Å; L225-F280 HydrophobicContact CD1-CE1 3.58Å; L225-F280 HydrophobicContact CD1-CZ 4.41Å; L225-F280 HydrophobicContact CD2-CD1 3.89Å; L225-F280 HydrophobicContact CD2-CE1 4.31Å; L225-F280 HydrophobicContact CG-CD1 3.86Å; L225-F280 HydrophobicContact CG-CE1 3.81Å; L225-R284 HydrophobicContact CD2-CB 4.4Å; L225-R284 HydrophobicContact CD2-CG 4.15Å
226	E	93.6	Very high	94.9	Very high	120 Å²	120	37 Å²	37	56%	0.561	17%	0.173	S	C	*	.	S	Bend	trans	54.9	21.9	-173.2	-59.2	172.3	-177.6	0	0	113.4	E222	E222-E226 VanDerWaalsContact O-CA 3.25Å; E222-E226 WeakPolarHBondContact O-CA 3.36Å; E222-E226 PolarHBondContact O-N 2.93Å
227	R	94	Very high	94.6	Very high	115 Å²	115	38 Å²	38	43%	0.434	18%	0.178	S	C	.	.	S	Bend	trans	-148.7	149.9	178.6	68.1	179.3	179.8	82.3	-2.2	110.5	L225 L229	L225-R227 HydrophobicContact CB-CG 3.92Å; L225-R227 PolarHBondContact O-N 3.45Å; R227-L229 PolarHBondContact O-N 3.41Å
228	I	95.7	Very high	94.4	Very high	52 Å²	52	38 Å²	38	27%	0.267	18%	0.178	S	C	.	.			trans	-58	126.8	172.5	-64.8	157.1	0	0	0	109.3	Y195 P231	Y195-I228 HydrophobicContact CD2-CD1 3.66Å; Y195-I228 HydrophobicContact CD2-CG1 4.28Å; Y195-I228 HydrophobicContact CD2-CG2 3.78Å; Y195-I228 HydrophobicContact CE2-CD1 3.72Å; Y195-I228 HydrophobicContact CG-CG2 3.82Å; I228-P231 HydrophobicContact CB-CB 4.39Å; I228-P231 HydrophobicContact CG2-CB 3.93Å
229	L	97.1	Very high	94.2	Very high	9 Å²	9	38 Å²	38	5%	0.047	18%	0.178	C	C	.	.	S	Bend	trans	-68.8	-46.4	-178.7	-177.7	60	0	0	0	112.1	A221 L225 R227 P231 F280 L308	A221-L229 HydrophobicContact CB-CB 4.17Å; A221-L229 HydrophobicContact CB-CD2 3.69Å; A221-L229 HydrophobicContact CB-CG 4.43Å; L225-L229 HydrophobicContact CD1-CD1 3.93Å; R227-L229 PolarHBondContact O-N 3.41Å; L229-P231 WeakPolarHBondContact O-CD 3.42Å; L229-F280 HydrophobicContact CD2-CZ 4.34Å; L229-L308 HydrophobicContact CD2-CD1 3.64Å; L229-L308 HydrophobicContact CD2-CD2 4.45Å
230	F	97.1	Very high	94	Very high	1 Å²	1	38.9 Å²	38.9	0%	0.004	18%	0.183	C	C	.	.			trans	-122.8	78.3	-176.8	-51.8	-60.8	0	0	0	112.4	Y195 W214 G232 Q238 K241 I242 E245 L246 L308	Y195-F230 WeakPolarHBondContact CA-O 3.16Å; Y195-F230 WeakPolarHBondContact CB-O 3.33Å; Y195-F230 WeakPolarHBondContact CD1-O 3.12Å; W214-F230 HydrophobicContact CH2-CE2 4.19Å; W214-F230 HydrophobicContact CZ2-CD2 4.13Å; W214-F230 AromaticContact CZ2-CE2 3.66Å; W214-F230 HydrophobicContact CZ2-CE2 3.66Å; W214-F230 HydrophobicContact CZ2-CZ 4.38Å; F230-G232 VanDerWaalsContact C-N 3.31Å; F230-G232 PolarHBondContact O-N 3.18Å; F230-Q238 PolarHBondContact O-NE2 3.38Å; F230-Q238 PolarHBondContact O-OE1 3.11Å; F230-K241 HydrophobicContact CD1-CB 4.44Å; F230-I242 HydrophobicContact CB-CG1 4.36Å; F230-I242 HydrophobicContact CD1-CG1 3.99Å; F230-I242 HydrophobicContact CD2-CG1 4.1Å; F230-I242 HydrophobicContact CE1-CG1 4.28Å; F230-I242 HydrophobicContact CE2-CG1 4.37Å; F230-I242 HydrophobicContact CG-CG1 3.89Å; F230-I242 HydrophobicContact CZ-CG1 4.46Å; F230-E245 HydrophobicContact CD1-CG 4.44Å; F230-E245 HydrophobicContact CE1-CB 3.95Å; F230-E245 HydrophobicContact CE1-CG 3.96Å; F230-L246 HydrophobicContact CZ-CD1 3.9Å; F230-L246 HydrophobicContact CZ-CG 4.13Å; F230-L308 HydrophobicContact CE2-CD2 4.36Å
231	P	95	Very high	93.9	Very high	51 Å²	51	41.2 Å²	41.2	33%	0.331	19%	0.194	S	C	.	.			trans	-83	59.2	-173.4	31.4	-35.4	0	0	0	113.6	Y195 I228 L229 K241	Y195-P231 HydrophobicContact CE1-CB 4.4Å; I228-P231 HydrophobicContact CB-CB 4.39Å; I228-P231 HydrophobicContact CG2-CB 3.93Å; L229-P231 WeakPolarHBondContact O-CD 3.42Å; P231-K241 HydrophobicContact CG-CD 4.24Å; P231-K241 PolarHBondContact O-NZ 2.83Å
232	G	92.9	Very high	93.8	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	19%	0.194	C	C	.	.			trans	-78.7	129.3	-172.6	0	0	0	0	0	116.2	R194 Y195 F230 D237	R194-G232 PolarHBondContact NH1-O 3.48Å; Y195-G232 VanDerWaalsContact CE1-O 3.3Å; Y195-G232 WeakPolarHBondContact CE1-O 3.31Å; F230-G232 VanDerWaalsContact C-N 3.31Å; F230-G232 PolarHBondContact O-N 3.18Å; G232-D237 WeakPolarHBondContact CA-OD2 3.19Å
233	Y	88.7	Confident	93.8	Very high	159 Å²	159	40.6 Å²	40.6	62%	0.624	19%	0.191	S	C	*	.	S	Bend	trans	-79.7	-17.8	-175.1	61.6	-99.8	0	0	0	114.7	R194 D237	R194-Y233 PolarHBondContact NH1-O 3.33Å; R194-Y233 PolarHBondContact NH2-O 3.12Å; Y233-D237 HydrophobicContact CD1-CB 3.83Å; Y233-D237 WeakPolarHBondContact CD1-OD2 3.49Å; Y233-D237 HydrophobicContact CD2-CB 4.19Å; Y233-D237 HydrophobicContact CE1-CB 3.56Å; Y233-D237 WeakPolarHBondContact CE1-OD1 3.27Å; Y233-D237 WeakPolarHBondContact CE1-OD2 3.34Å; Y233-D237 HydrophobicContact CE2-CB 3.95Å; Y233-D237 HydrophobicContact CG-CB 4.12Å; Y233-D237 PolarHBondContact N-OD2 2.72Å
234	D	88	Confident	93.7	Very high	59 Å²	59	44.5 Å²	44.5	32%	0.316	21%	0.209	S	C	.	.	S	Bend	trans	-147.3	-175.9	167.9	65.9	39.6	0	0	0	111.2	R194 I236 D237 Q238	R194-D234 VanDerWaalsContact CD-C 3.47Å; R194-D234 VanDerWaalsContact CD-O 3.26Å; R194-D234 WeakPolarHBondContact CD-O 3.36Å; D234-I236 VanDerWaalsContact C-N 3.31Å; D234-I236 PolarHBondContact O-N 3.45Å; D234-I236 WeakPolarHBondContact OD1-CA 3.36Å; D234-I236 WeakPolarHBondContact OD1-CB 3.35Å; D234-I236 PolarHBondContact OD1-N 2.9Å; D234-D237 PolarHBondContact OD1-N 3.47Å; D234-Q238 WeakPolarHBondContact O-CB 3.17Å; D234-Q238 PolarHBondContact O-N 3.4Å
235	H	86.8	Confident	93.8	Very high	64 Å²	64	45.5 Å²	45.5	30%	0.296	21%	0.213	S	C	.	.	H	α-helix	trans	-65.1	-34.5	-178.5	-65.6	176.8	0	0	0	113	I202 W239	I202-H235 HydrophobicContact CG2-CB 4.12Å; I202-H235 VanDerWaalsContact CG2-O 3.25Å; I202-H235 WeakPolarHBondContact CG2-O 3.49Å; H235-W239 PolarHBondContact O-N 3.43Å; H235-W239 VanDerWaalsContact O-N 3.1Å
236	I	89.2	Confident	93.9	Very high	78 Å²	78	45.9 Å²	45.9	40%	0.4	22%	0.215	S	C	.	.	H	α-helix	trans	-72.2	-46.3	-179.1	-74	169.6	0	0	0	110	D234 W239 T240 Y264	D234-I236 VanDerWaalsContact C-N 3.31Å; D234-I236 PolarHBondContact O-N 3.45Å; D234-I236 WeakPolarHBondContact OD1-CA 3.36Å; D234-I236 WeakPolarHBondContact OD1-CB 3.35Å; D234-I236 PolarHBondContact OD1-N 2.9Å; I236-W239 PolarHBondContact O-N 2.94Å; I236-T240 PolarHBondContact O-N 2.53Å; I236-T240 PolarHBondContact O-OG1 3.06Å; I236-Y264 HydrophobicContact CG1-CE1 4.11Å; I236-Y264 WeakPolarHBondContact CG1-OH 3.39Å; I236-Y264 WeakPolarHBondContact CG2-OH 3.34Å
237	D	92.2	Very high	94	Very high	21 Å²	21	40.3 Å²	40.3	11%	0.112	19%	0.19	C	C	.	.	H	α-helix	trans	-66	-41.4	177.6	-174.1	61.3	0	0	0	110.9	G232 Y233 D234 W239 T240 K241	G232-D237 WeakPolarHBondContact CA-OD2 3.19Å; Y233-D237 HydrophobicContact CD1-CB 3.83Å; Y233-D237 WeakPolarHBondContact CD1-OD2 3.49Å; Y233-D237 HydrophobicContact CD2-CB 4.19Å; Y233-D237 HydrophobicContact CE1-CB 3.56Å; Y233-D237 WeakPolarHBondContact CE1-OD1 3.27Å; Y233-D237 WeakPolarHBondContact CE1-OD2 3.34Å; Y233-D237 HydrophobicContact CE2-CB 3.95Å; Y233-D237 HydrophobicContact CG-CB 4.12Å; Y233-D237 PolarHBondContact N-OD2 2.72Å; D234-D237 PolarHBondContact OD1-N 3.47Å; D237-W239 PolarHBondContact O-N 2.84Å; D237-T240 WeakPolarHBondContact O-CB 3.22Å; D237-T240 PolarHBondContact O-N 3.14Å; D237-T240 VanDerWaalsContact O-N 3.12Å; D237-K241 WeakPolarHBondContact O-CG 3.36Å; D237-K241 PolarHBondContact O-N 3.2Å; D237-K241 WeakPolarHBondContact OD2-CE 3.35Å; D237-K241 IonicContact OD2-NZ 3.72Å
238	Q	94.2	Very high	94.1	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-57.5	-47.2	174.6	-172.9	69.7	27.3	0	0	111.8	R194 Y195 I202 F230 D234 T240 K241 I242	R194-Q238 HydrophobicContact CG-CB 4.26Å; R194-Q238 HydrophobicContact CG-CG 4.18Å; Y195-Q238 PolarHBondContact O-NE2 2.91Å; I202-Q238 HydrophobicContact CD1-CB 4.23Å; I202-Q238 HydrophobicContact CD1-CG 3.33Å; I202-Q238 HydrophobicContact CG1-CG 4.19Å; F230-Q238 PolarHBondContact O-NE2 3.38Å; F230-Q238 PolarHBondContact O-OE1 3.11Å; D234-Q238 WeakPolarHBondContact O-CB 3.17Å; D234-Q238 PolarHBondContact O-N 3.4Å; Q238-T240 VanDerWaalsContact C-N 3.33Å; Q238-T240 PolarHBondContact O-N 3.12Å; Q238-K241 PolarHBondContact O-N 3.39Å; Q238-I242 HydrophobicContact CG-CD1 4.22Å; Q238-I242 WeakPolarHBondContact O-CD1 3.42Å; Q238-I242 VanDerWaalsContact O-CG1 3.29Å; Q238-I242 WeakPolarHBondContact O-CG1 3.5Å; Q238-I242 PolarHBondContact O-N 3.1Å; Q238-I242 VanDerWaalsContact O-N 3.12Å
239	W	94.4	Very high	94	Very high	4 Å²	4	35.6 Å²	35.6	2%	0.015	18%	0.177	C	C	.	.	H	α-helix	trans	-61	-42.9	174.8	172.5	-106.5	0	0	0	112	P199 I202 L203 H235 I236 D237 K241 I242 T243 P249 F253 V265 I310	P199-W239 HydrophobicContact CB-CE3 4.12Å; P199-W239 HydrophobicContact CB-CZ3 3.73Å; I202-W239 HydrophobicContact CG2-CB 4.28Å; L203-W239 HydrophobicContact CD1-CD2 4.36Å; L203-W239 HydrophobicContact CD1-CE3 3.87Å; L203-W239 HydrophobicContact CD1-CH2 3.85Å; L203-W239 HydrophobicContact CD1-CZ2 4.35Å; L203-W239 HydrophobicContact CD1-CZ3 3.6Å; L203-W239 HydrophobicContact CD2-CD2 3.99Å; L203-W239 HydrophobicContact CD2-CE3 4.12Å; L203-W239 HydrophobicContact CD2-CG 4.26Å; L203-W239 HydrophobicContact CG-CD2 4.43Å; L203-W239 HydrophobicContact CG-CE3 4.05Å; L203-W239 HydrophobicContact CG-CZ3 4.28Å; H235-W239 PolarHBondContact O-N 3.43Å; H235-W239 VanDerWaalsContact O-N 3.1Å; I236-W239 PolarHBondContact O-N 2.94Å; D237-W239 PolarHBondContact O-N 2.84Å; W239-K241 PolarHBondContact O-N 3.29Å; W239-I242 PolarHBondContact O-N 3.33Å; W239-T243 HydrophobicContact CD2-CG2 4.02Å; W239-T243 VanDerWaalsContact CE2-CG2 3.49Å; W239-T243 HydrophobicContact CE3-CG2 4.38Å; W239-T243 HydrophobicContact CH2-CG2 3.85Å; W239-T243 HydrophobicContact CZ2-CG2 3.42Å; W239-T243 VanDerWaalsContact CZ2-CG2 3.42Å; W239-T243 HydrophobicContact CZ3-CG2 4.29Å; W239-T243 PolarHBondContact O-N 3.22Å; W239-T243 PolarHBondContact O-OG1 3.2Å; W239-P249 HydrophobicContact CH2-CG 3.87Å; W239-P249 HydrophobicContact CZ2-CG 4.32Å; W239-F253 HydrophobicContact CH2-CE1 4.05Å; W239-V265 HydrophobicContact CZ2-CG1 3.54Å; W239-V265 HydrophobicContact CZ2-CG2 4.34Å; W239-I310 HydrophobicContact CH2-CG2 4.24Å; W239-I310 HydrophobicContact CZ3-CG2 4.23Å
240	T	94.1	Very high	93.8	Very high	19 Å²	19	37.2 Å²	37.2	12%	0.117	20%	0.196	C	C	.	.	H	α-helix	trans	-58.1	-50.8	178.6	-57.8	0	0	0	0	110.5	I236 D237 Q238 I242 T243 E244	I236-T240 PolarHBondContact O-N 2.53Å; I236-T240 PolarHBondContact O-OG1 3.06Å; D237-T240 WeakPolarHBondContact O-CB 3.22Å; D237-T240 PolarHBondContact O-N 3.14Å; D237-T240 VanDerWaalsContact O-N 3.12Å; Q238-T240 VanDerWaalsContact C-N 3.33Å; Q238-T240 PolarHBondContact O-N 3.12Å; T240-I242 VanDerWaalsContact C-N 3.31Å; T240-I242 PolarHBondContact O-N 3.35Å; T240-T243 PolarHBondContact O-N 3.43Å; T240-T243 VanDerWaalsContact O-N 3.11Å; T240-T243 PolarHBondContact O-OG1 3.05Å; T240-E244 HydrophobicContact CG2-CG 4.31Å; T240-E244 WeakPolarHBondContact CG2-OE1 3.3Å; T240-E244 WeakPolarHBondContact O-CG 3.46Å; T240-E244 PolarHBondContact O-N 3.19Å
241	K	95.7	Very high	93.6	Very high	50 Å²	50	41.6 Å²	41.6	22%	0.217	22%	0.224	C	C	.	.	H	α-helix	trans	-59	-39.5	178	-67.5	-173.2	-176.7	-164.8	0	113.4	F230 P231 D237 Q238 W239 E244 E245	F230-K241 HydrophobicContact CD1-CB 4.44Å; P231-K241 HydrophobicContact CG-CD 4.24Å; P231-K241 PolarHBondContact O-NZ 2.83Å; D237-K241 WeakPolarHBondContact O-CG 3.36Å; D237-K241 PolarHBondContact O-N 3.2Å; D237-K241 WeakPolarHBondContact OD2-CE 3.35Å; D237-K241 IonicContact OD2-NZ 3.72Å; Q238-K241 PolarHBondContact O-N 3.39Å; W239-K241 PolarHBondContact O-N 3.29Å; K241-E244 PolarHBondContact O-N 3.33Å; K241-E245 PolarHBondContact O-N 3Å
242	I	96.9	Very high	93.5	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-60.6	-49.5	175.9	-71.6	165.9	0	0	0	110.2	P199 I202 W214 F230 Q238 W239 T240 E244 E245 L246 I310	P199-I242 HydrophobicContact CB-CD1 4.44Å; P199-I242 HydrophobicContact CG-CD1 4.23Å; P199-I242 HydrophobicContact CG-CG2 4.24Å; I202-I242 HydrophobicContact CD1-CD1 3.62Å; W214-I242 HydrophobicContact CH2-CG1 4.43Å; W214-I242 HydrophobicContact CH2-CG2 3.85Å; W214-I242 HydrophobicContact CZ2-CD1 3.89Å; W214-I242 HydrophobicContact CZ2-CG1 4Å; W214-I242 HydrophobicContact CZ2-CG2 4.26Å; F230-I242 HydrophobicContact CB-CG1 4.36Å; F230-I242 HydrophobicContact CD1-CG1 3.99Å; F230-I242 HydrophobicContact CD2-CG1 4.1Å; F230-I242 HydrophobicContact CE1-CG1 4.28Å; F230-I242 HydrophobicContact CE2-CG1 4.37Å; F230-I242 HydrophobicContact CG-CG1 3.89Å; F230-I242 HydrophobicContact CZ-CG1 4.46Å; Q238-I242 HydrophobicContact CG-CD1 4.22Å; Q238-I242 WeakPolarHBondContact O-CD1 3.42Å; Q238-I242 VanDerWaalsContact O-CG1 3.29Å; Q238-I242 WeakPolarHBondContact O-CG1 3.5Å; Q238-I242 PolarHBondContact O-N 3.1Å; Q238-I242 VanDerWaalsContact O-N 3.12Å; W239-I242 PolarHBondContact O-N 3.33Å; T240-I242 VanDerWaalsContact C-N 3.31Å; T240-I242 PolarHBondContact O-N 3.35Å; I242-E244 PolarHBondContact O-N 2.87Å; I242-E245 PolarHBondContact O-N 3.24Å; I242-L246 HydrophobicContact CG2-CD1 4.33Å; I242-L246 WeakPolarHBondContact O-CB 3.47Å; I242-L246 PolarHBondContact O-N 3.22Å; I242-I310 HydrophobicContact CG2-CD1 3.93Å; I242-I310 HydrophobicContact CG2-CG1 3.97Å
243	T	96	Very high	93.6	Very high	7 Å²	7	46.3 Å²	46.3	4%	0.043	24%	0.242	C	C	.	.	H	α-helix	trans	-72.1	-26.2	-178.2	59.6	0	0	0	0	113.9	W239 T240 E245 G247 N271	W239-T243 HydrophobicContact CD2-CG2 4.02Å; W239-T243 VanDerWaalsContact CE2-CG2 3.49Å; W239-T243 HydrophobicContact CE3-CG2 4.38Å; W239-T243 HydrophobicContact CH2-CG2 3.85Å; W239-T243 HydrophobicContact CZ2-CG2 3.42Å; W239-T243 VanDerWaalsContact CZ2-CG2 3.42Å; W239-T243 HydrophobicContact CZ3-CG2 4.29Å; W239-T243 PolarHBondContact O-N 3.22Å; W239-T243 PolarHBondContact O-OG1 3.2Å; T240-T243 PolarHBondContact O-N 3.43Å; T240-T243 VanDerWaalsContact O-N 3.11Å; T240-T243 PolarHBondContact O-OG1 3.05Å; T243-E245 VanDerWaalsContact C-N 3.32Å; T243-G247 CarbonylContact O-C 3.56Å; T243-G247 WeakPolarHBondContact O-CA 3.36Å; T243-G247 PolarHBondContact O-N 3.34Å; T243-N271 WeakPolarHBondContact O-CB 3.22Å; T243-N271 PolarHBondContact OG1-ND2 2.87Å
244	E	95.7	Very high	93.9	Very high	98 Å²	98	39.2 Å²	39.2	46%	0.458	21%	0.214	S	C	.	.	H	α-helix	trans	-66.8	-33.9	175.8	-77.4	173	166.7	0	0	112.2	T240 K241 I242	T240-E244 HydrophobicContact CG2-CG 4.31Å; T240-E244 WeakPolarHBondContact CG2-OE1 3.3Å; T240-E244 WeakPolarHBondContact O-CG 3.46Å; T240-E244 PolarHBondContact O-N 3.19Å; K241-E244 PolarHBondContact O-N 3.33Å; I242-E244 PolarHBondContact O-N 2.87Å
245	E	96.8	Very high	94.1	Very high	33 Å²	33	40.4 Å²	40.4	15%	0.154	22%	0.221	C	C	.	.	H	α-helix	trans	-90.9	-46.1	178.7	-57.5	-69.5	-179	0	0	111.8	F230 K241 I242 T243 R274 L279	F230-E245 HydrophobicContact CD1-CG 4.44Å; F230-E245 HydrophobicContact CE1-CB 3.95Å; F230-E245 HydrophobicContact CE1-CG 3.96Å; K241-E245 PolarHBondContact O-N 3Å; I242-E245 PolarHBondContact O-N 3.24Å; T243-E245 VanDerWaalsContact C-N 3.32Å; E245-R274 PolarHBondContact O-N 3.35Å; E245-R274 IonicContact OE1-NH1 3.65Å; E245-R274 VanDerWaalsContact OE2-CD 3.32Å; E245-R274 WeakPolarHBondContact OE2-CD 3.25Å; E245-R274 IonicContact OE2-CZ 3.85Å; E245-R274 IonicContact OE2-NE 3.02Å; E245-R274 IonicContact OE2-NH1 3.32Å; E245-R274 PolarHBondContact OE2-NH1 3.41Å; E245-L279 HydrophobicContact CB-CD2 3.98Å; E245-L279 HydrophobicContact CG-CD2 4.42Å; E245-L279 WeakPolarHBondContact OE2-CD2 3.12Å
246	L	97.5	Very high	94.5	Very high	23 Å²	23	41.8 Å²	41.8	12%	0.12	22%	0.223	C	C	.	.	H	α-helix	trans	-100	1.2	-171.1	-57.3	-179.2	0	0	0	114.2	W214 F230 I242 F276 L279 L308 I310	W214-L246 HydrophobicContact CH2-CD1 3.6Å; W214-L246 HydrophobicContact CZ3-CD1 4.01Å; F230-L246 HydrophobicContact CZ-CD1 3.9Å; F230-L246 HydrophobicContact CZ-CG 4.13Å; I242-L246 HydrophobicContact CG2-CD1 4.33Å; I242-L246 WeakPolarHBondContact O-CB 3.47Å; I242-L246 PolarHBondContact O-N 3.22Å; L246-F276 HydrophobicContact CD2-CE2 4.19Å; L246-F276 HydrophobicContact CD2-CZ 3.89Å; L246-L279 HydrophobicContact CD2-CD1 4.01Å; L246-L308 HydrophobicContact CD1-CB 4.36Å; L246-L308 WeakPolarHBondContact CD1-O 3.3Å; L246-I310 HydrophobicContact CB-CD1 4.04Å; L246-I310 HydrophobicContact CB-CG1 4.29Å; L246-I310 HydrophobicContact CD1-CG1 4.16Å
247	G	96.3	Very high	94.7	Very high	3 Å²	3	38.2 Å²	38.2	3%	0.031	21%	0.205	C	C	.	.			trans	79.4	169	-178.6	0	0	0	0	0	114.1	T243 N271 I310	T243-G247 CarbonylContact O-C 3.56Å; T243-G247 WeakPolarHBondContact O-CA 3.36Å; T243-G247 PolarHBondContact O-N 3.34Å; G247-N271 CarbonylContact C-O 3.39Å; G247-N271 VanDerWaalsContact CA-O 3.27Å; G247-N271 WeakPolarHBondContact CA-O 3.31Å; G247-I310 WeakPolarHBondContact O-CD1 2.95Å
248	T	95.4	Very high	94.7	Very high	45 Å²	45	43.9 Å²	43.9	28%	0.276	23%	0.231	S	C	.	.	P	Polyproline II helix	trans	-81.1	127.4	175.7	-55.3	0	0	0	0	110.3	M254 N271	T248-M254 HydrophobicContact CG2-CE 3.65Å; T248-N271 PolarHBondContact N-O 3.47Å; T248-N271 PolarHBondContact OG1-N 2.83Å
249	P	94.6	Very high	94.6	Very high	23 Å²	23	52.6 Å²	52.6	15%	0.149	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-69.2	156.9	-176.1	30	-36.8	0	0	0	112.5	W239 F253 M254 I310	W239-P249 HydrophobicContact CH2-CG 3.87Å; W239-P249 HydrophobicContact CZ2-CG 4.32Å; P249-F253 HydrophobicContact CB-CB 3.92Å; P249-F253 HydrophobicContact CB-CD1 3.78Å; P249-F253 HydrophobicContact CB-CG 3.9Å; P249-F253 HydrophobicContact CG-CB 4.44Å; P249-F253 HydrophobicContact CG-CD1 3.39Å; P249-F253 HydrophobicContact CG-CE1 3.83Å; P249-F253 HydrophobicContact CG-CG 4.06Å; P249-M254 HydrophobicContact CG-CE 3.66Å; P249-M254 HydrophobicContact CG-SD 4.35Å; P249-M254 WeakPolarHBondContact O-CE 3.46Å; P249-I310 HydrophobicContact CB-CG2 4.01Å; P249-I310 HydrophobicContact CG-CG2 4.01Å
250	G	92.9	Very high	94.5	Very high	43 Å²	43	55.8 Å²	55.8	44%	0.443	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-70.8	174	-177	0	0	0	0	0	114.8	E252 F253 M254	G250-E252 VanDerWaalsContact C-N 3.28Å; G250-E252 PolarHBondContact O-N 2.87Å; G250-F253 PolarHBondContact O-N 3.23Å; G250-M254 WeakPolarHBondContact O-CG 3.27Å; G250-M254 PolarHBondContact O-N 3.13Å
251	P	92.4	Very high	94.4	Very high	93 Å²	93	56.6 Å²	56.6	60%	0.604	30%	0.297	S	S	*	.	H	α-helix	trans	-56.6	-34.8	-177.7	-26.4	35.3	0	0	0	114.8	F253 M254 N255	P251-F253 PolarHBondContact O-N 2.76Å; P251-M254 PolarHBondContact O-N 2.64Å; P251-N255 VanDerWaalsContact O-CB 3.3Å; P251-N255 WeakPolarHBondContact O-CB 3.27Å; P251-N255 PolarHBondContact O-N 3.04Å; P251-N255 PolarHBondContact O-ND2 2.85Å
252	E	93.6	Very high	94.3	Very high	148 Å²	148	57.2 Å²	57.2	69%	0.692	30%	0.298	S	S	*	.	H	α-helix	trans	-58.6	-43.6	178.8	-67.7	-57.2	142.1	0	0	112.6	G250	G250-E252 VanDerWaalsContact C-N 3.28Å; G250-E252 PolarHBondContact O-N 2.87Å
253	F	94.9	Very high	94.1	Very high	3 Å²	3	60.5 Å²	60.5	1%	0.013	32%	0.316	C	S	.	.	H	α-helix	trans	-66.8	-48.9	173.9	178.1	-91.1	0	0	0	111	L203 M205 W239 P249 G250 P251 N255 R256 L257 I310 D311	L203-F253 HydrophobicContact CD1-CE1 3.81Å; L203-F253 HydrophobicContact CD1-CZ 3.86Å; M205-F253 HydrophobicContact CE-CE2 4.04Å; M205-F253 HydrophobicContact CE-CZ 4.27Å; M205-F253 HydrophobicContact SD-CE1 4.44Å; M205-F253 HydrophobicContact SD-CE2 3.93Å; M205-F253 HydrophobicContact SD-CZ 3.66Å; W239-F253 HydrophobicContact CH2-CE1 4.05Å; P249-F253 HydrophobicContact CB-CB 3.92Å; P249-F253 HydrophobicContact CB-CD1 3.78Å; P249-F253 HydrophobicContact CB-CG 3.9Å; P249-F253 HydrophobicContact CG-CB 4.44Å; P249-F253 HydrophobicContact CG-CD1 3.39Å; P249-F253 HydrophobicContact CG-CE1 3.83Å; P249-F253 HydrophobicContact CG-CG 4.06Å; G250-F253 PolarHBondContact O-N 3.23Å; P251-F253 PolarHBondContact O-N 2.76Å; F253-N255 PolarHBondContact O-N 3.17Å; F253-R256 PolarHBondContact O-N 3.39Å; F253-L257 HydrophobicContact CE1-CD1 4.3Å; F253-L257 HydrophobicContact CE1-CD2 4.12Å; F253-L257 HydrophobicContact CE1-CG 4.43Å; F253-L257 HydrophobicContact CZ-CD2 4.42Å; F253-I310 HydrophobicContact CD2-CG2 4.33Å; F253-I310 HydrophobicContact CE1-CG2 4.21Å; F253-I310 HydrophobicContact CE2-CG2 3.93Å; F253-I310 HydrophobicContact CZ-CG2 3.86Å; F253-D311 HydrophobicContact CD2-CB 4.18Å
254	M	93.8	Very high	93.8	Very high	9 Å²	9	64 Å²	64	4%	0.044	33%	0.329	C	S	.	.	H	α-helix	trans	-59.6	-35.2	-177.8	-63	-62.6	-171.8	0	0	112.3	T248 P249 G250 P251 R256 L257 R262 V265 M266	T248-M254 HydrophobicContact CG2-CE 3.65Å; P249-M254 HydrophobicContact CG-CE 3.66Å; P249-M254 HydrophobicContact CG-SD 4.35Å; P249-M254 WeakPolarHBondContact O-CE 3.46Å; G250-M254 WeakPolarHBondContact O-CG 3.27Å; G250-M254 PolarHBondContact O-N 3.13Å; P251-M254 PolarHBondContact O-N 2.64Å; M254-R256 PolarHBondContact O-N 3.09Å; M254-L257 WeakPolarHBondContact O-CB 3.13Å; M254-L257 PolarHBondContact O-N 3.44Å; M254-L257 VanDerWaalsContact O-N 3.12Å; M254-L257 HydrophobicContact SD-CD1 3.8Å; M254-R262 WeakPolarHBondContact O-CD 3.43Å; M254-R262 PolarHBondContact O-NE 2.98Å; M254-V265 HydrophobicContact CE-CG1 3.39Å; M254-V265 HydrophobicContact SD-CB 4.37Å; M254-V265 HydrophobicContact SD-CG1 3.56Å; M254-V265 VanDerWaalsContact SD-CG1 3.56Å; M254-M266 HydrophobicContact CB-CE 3.6Å; M254-M266 HydrophobicContact CG-CE 4.09Å
255	N	93.7	Very high	93.5	Very high	84 Å²	84	59.5 Å²	59.5	45%	0.449	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-13.7	179.5	-76	-22.5	0	0	0	114.1	P251 F253 R262	P251-N255 VanDerWaalsContact O-CB 3.3Å; P251-N255 WeakPolarHBondContact O-CB 3.27Å; P251-N255 PolarHBondContact O-N 3.04Å; P251-N255 PolarHBondContact O-ND2 2.85Å; F253-N255 PolarHBondContact O-N 3.17Å; N255-R262 PolarHBondContact O-NH2 3.33Å
256	R	94.6	Very high	93.2	Very high	93 Å²	93	62.9 Å²	62.9	35%	0.351	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-9.6	174	-65.7	-176.3	-69.1	142.9	-3.3	113.8	M205 F253 M254 D311	M205-R256 HydrophobicContact CE-CB 4.02Å; F253-R256 PolarHBondContact O-N 3.39Å; M254-R256 PolarHBondContact O-N 3.09Å; R256-D311 IonicContact CZ-OD1 3.03Å; R256-D311 IonicContact CZ-OD2 3.74Å; R256-D311 IonicContact NH1-OD1 2.66Å; R256-D311 IonicContact NH2-OD1 2.75Å; R256-D311 PolarHBondContact NH2-OD1 3.05Å; R256-D311 IonicContact NH2-OD2 3.9Å; R256-D311 PolarHBondContact NH2-OD2 2.88Å
257	L	93.5	Very high	92.9	Very high	4 Å²	4	66 Å²	66	2%	0.021	35%	0.349	C	S	.	.	S	Bend	trans	-75.1	146.9	176.5	-58.7	178.6	0	0	0	111.4	L203 M205 F253 M254 V261 R262 V265	L203-L257 HydrophobicContact CB-CD2 4.18Å; L203-L257 HydrophobicContact CD1-CD1 4.36Å; L203-L257 HydrophobicContact CD1-CD2 3.78Å; M205-L257 HydrophobicContact CE-CD2 4.01Å; M205-L257 HydrophobicContact CG-CD2 3.53Å; M205-L257 HydrophobicContact SD-CD2 3.32Å; M205-L257 WeakPolarHBondContact SD-CD2 3.1Å; F253-L257 HydrophobicContact CE1-CD1 4.3Å; F253-L257 HydrophobicContact CE1-CD2 4.12Å; F253-L257 HydrophobicContact CE1-CG 4.43Å; F253-L257 HydrophobicContact CZ-CD2 4.42Å; M254-L257 WeakPolarHBondContact O-CB 3.13Å; M254-L257 PolarHBondContact O-N 3.44Å; M254-L257 VanDerWaalsContact O-N 3.12Å; M254-L257 HydrophobicContact SD-CD1 3.8Å; L257-V261 HydrophobicContact CD1-CG1 4.5Å; L257-R262 HydrophobicContact CB-CB 3.93Å; L257-R262 PolarHBondContact O-NE 3.42Å; L257-R262 PolarHBondContact O-NH2 3.44Å; L257-V265 HydrophobicContact CD1-CB 4.34Å; L257-V265 HydrophobicContact CD1-CG2 4.22Å
258	E	92.2	Very high	92.5	Very high	140 Å²	140	70.4 Å²	70.4	65%	0.654	37%	0.365	S	S	*	.			trans	-57.7	149.1	167.3	-68.9	-166.2	166.6	0	0	111.3	A260 V261 R262	E258-A260 VanDerWaalsContact C-N 3.33Å; E258-A260 PolarHBondContact O-N 3.31Å; E258-V261 HydrophobicContact CB-CG2 4.43Å; E258-V261 PolarHBondContact O-N 2.88Å; E258-V261 VanDerWaalsContact O-N 3.11Å; E258-R262 WeakPolarHBondContact O-CB 3.43Å; E258-R262 PolarHBondContact O-N 3.45Å
259	Y	92.5	Very high	92.3	Very high	182 Å²	182	72.6 Å²	72.6	71%	0.714	38%	0.38	S	S	*	.	H	α-helix	trans	-52.5	-45.8	-171.8	180	-101.4	0	0	0	113.9	N263	Y259-N263 WeakPolarHBondContact CE1-ND2 3.34Å; Y259-N263 WeakPolarHBondContact O-CB 3.36Å; Y259-N263 VanDerWaalsContact O-CG 3.31Å; Y259-N263 PolarHBondContact O-N 3.17Å; Y259-N263 PolarHBondContact O-ND2 3.42Å; Y259-N263 PolarHBondContact OH-ND2 2.84Å
260	A	92.2	Very high	92.3	Very high	71 Å²	71	80.3 Å²	80.3	59%	0.587	41%	0.411	S	S	*	.	H	α-helix	trans	-66	-44.5	-179.9	0	0	0	0	0	112.2	E258 Y264	E258-A260 VanDerWaalsContact C-N 3.33Å; E258-A260 PolarHBondContact O-N 3.31Å; A260-Y264 WeakPolarHBondContact O-CB 3.42Å; A260-Y264 PolarHBondContact O-N 3.26Å
261	V	91.5	Very high	92.3	Very high	37 Å²	37	80.4 Å²	80.4	22%	0.224	40%	0.401	C	S	.	.	H	α-helix	trans	-66.2	-43.1	178.3	-177.8	0	0	0	0	110.5	L203 L257 E258 N263 Y264 V265	L203-V261 HydrophobicContact CB-CG1 4.14Å; L203-V261 HydrophobicContact CD2-CG1 3.88Å; L257-V261 HydrophobicContact CD1-CG1 4.5Å; E258-V261 HydrophobicContact CB-CG2 4.43Å; E258-V261 PolarHBondContact O-N 2.88Å; E258-V261 VanDerWaalsContact O-N 3.11Å; V261-N263 PolarHBondContact O-N 3.43Å; V261-Y264 WeakPolarHBondContact O-CB 3.43Å; V261-Y264 PolarHBondContact O-N 3.05Å; V261-V265 HydrophobicContact CG1-CG2 4.24Å; V261-V265 WeakPolarHBondContact O-CG2 3.28Å; V261-V265 PolarHBondContact O-N 2.97Å
262	R	93.6	Very high	92.5	Very high	62 Å²	62	83.8 Å²	83.8	23%	0.234	41%	0.409	C	S	.	.	H	α-helix	trans	-56.9	-50.8	176.3	-170.2	-175.3	-53.4	-172.4	3.4	111.7	M254 N255 L257 E258 Y264 V265 M266	M254-R262 WeakPolarHBondContact O-CD 3.43Å; M254-R262 PolarHBondContact O-NE 2.98Å; N255-R262 PolarHBondContact O-NH2 3.33Å; L257-R262 HydrophobicContact CB-CB 3.93Å; L257-R262 PolarHBondContact O-NE 3.42Å; L257-R262 PolarHBondContact O-NH2 3.44Å; E258-R262 WeakPolarHBondContact O-CB 3.43Å; E258-R262 PolarHBondContact O-N 3.45Å; R262-Y264 VanDerWaalsContact C-N 3.29Å; R262-Y264 PolarHBondContact O-N 3.19Å; R262-V265 PolarHBondContact O-N 3.07Å; R262-M266 HydrophobicContact CG-CE 3.83Å; R262-M266 HydrophobicContact CG-CG 4.39Å; R262-M266 HydrophobicContact CG-SD 4.11Å; R262-M266 WeakPolarHBondContact O-CB 3.46Å; R262-M266 VanDerWaalsContact O-CG 3.31Å; R262-M266 WeakPolarHBondContact O-CG 3.29Å; R262-M266 PolarHBondContact O-N 3.4Å
263	N	91.7	Very high	92.6	Very high	70 Å²	70	80.6 Å²	80.6	37%	0.374	40%	0.401	S	S	.	.	H	α-helix	trans	-61.6	-40.9	179.1	-74	-19.8	0	0	0	111.5	Y259 V261 S267	Y259-N263 WeakPolarHBondContact CE1-ND2 3.34Å; Y259-N263 WeakPolarHBondContact O-CB 3.36Å; Y259-N263 VanDerWaalsContact O-CG 3.31Å; Y259-N263 PolarHBondContact O-N 3.17Å; Y259-N263 PolarHBondContact O-ND2 3.42Å; Y259-N263 PolarHBondContact OH-ND2 2.84Å; V261-N263 PolarHBondContact O-N 3.43Å; N263-S267 WeakPolarHBondContact O-CB 3.47Å; N263-S267 PolarHBondContact O-N 3.37Å
264	Y	89.5	Confident	92.6	Very high	80 Å²	80	84.9 Å²	84.9	31%	0.314	42%	0.417	S	S	.	.	H	α-helix	trans	-60.7	-53.1	175.4	177.2	-100.8	0	0	0	111.5	I236 A260 V261 R262 M266 S267	I236-Y264 HydrophobicContact CG1-CE1 4.11Å; I236-Y264 WeakPolarHBondContact CG1-OH 3.39Å; I236-Y264 WeakPolarHBondContact CG2-OH 3.34Å; A260-Y264 WeakPolarHBondContact O-CB 3.42Å; A260-Y264 PolarHBondContact O-N 3.26Å; V261-Y264 WeakPolarHBondContact O-CB 3.43Å; V261-Y264 PolarHBondContact O-N 3.05Å; R262-Y264 VanDerWaalsContact C-N 3.29Å; R262-Y264 PolarHBondContact O-N 3.19Å; Y264-M266 PolarHBondContact O-N 3.46Å; Y264-S267 WeakPolarHBondContact O-CB 3.41Å; Y264-S267 PolarHBondContact O-N 3.28Å; Y264-S267 VanDerWaalsContact O-N 3.13Å; Y264-S267 PolarHBondContact O-OG 3.07Å
265	V	90.2	Very high	92.7	Very high	4 Å²	4	87 Å²	87	2%	0.024	43%	0.432	C	S	.	.	H	α-helix	trans	-60.9	-44.2	-179.6	172.6	0	0	0	0	111.3	L203 W239 M254 L257 V261 R262 S267 R268	L203-V265 HydrophobicContact CD2-CG2 3.75Å; W239-V265 HydrophobicContact CZ2-CG1 3.54Å; W239-V265 HydrophobicContact CZ2-CG2 4.34Å; M254-V265 HydrophobicContact CE-CG1 3.39Å; M254-V265 HydrophobicContact SD-CB 4.37Å; M254-V265 HydrophobicContact SD-CG1 3.56Å; M254-V265 VanDerWaalsContact SD-CG1 3.56Å; L257-V265 HydrophobicContact CD1-CB 4.34Å; L257-V265 HydrophobicContact CD1-CG2 4.22Å; V261-V265 HydrophobicContact CG1-CG2 4.24Å; V261-V265 WeakPolarHBondContact O-CG2 3.28Å; V261-V265 PolarHBondContact O-N 2.97Å; R262-V265 PolarHBondContact O-N 3.07Å; V265-S267 PolarHBondContact O-N 2.89Å; V265-R268 WeakPolarHBondContact O-CB 3.2Å; V265-R268 PolarHBondContact O-N 2.87Å; V265-R268 VanDerWaalsContact O-N 3.15Å
266	M	89.7	Confident	92.9	Very high	103 Å²	103	85 Å²	85	51%	0.507	42%	0.42	S	S	.	.	H	α-helix	trans	-67.3	-21	178.1	-72.2	-170.9	175.1	0	0	113.9	M254 R262 Y264 R268	M254-M266 HydrophobicContact CB-CE 3.6Å; M254-M266 HydrophobicContact CG-CE 4.09Å; R262-M266 HydrophobicContact CG-CE 3.83Å; R262-M266 HydrophobicContact CG-CG 4.39Å; R262-M266 HydrophobicContact CG-SD 4.11Å; R262-M266 WeakPolarHBondContact O-CB 3.46Å; R262-M266 VanDerWaalsContact O-CG 3.31Å; R262-M266 WeakPolarHBondContact O-CG 3.29Å; R262-M266 PolarHBondContact O-N 3.4Å; Y264-M266 PolarHBondContact O-N 3.46Å; M266-R268 VanDerWaalsContact C-N 3.31Å
267	S	91.1	Very high	93.1	Very high	88 Å²	88	84.4 Å²	84.4	62%	0.615	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-12.9	174.9	77.1	0	0	0	0	113.6	N263 Y264 V265	N263-S267 WeakPolarHBondContact O-CB 3.47Å; N263-S267 PolarHBondContact O-N 3.37Å; Y264-S267 WeakPolarHBondContact O-CB 3.41Å; Y264-S267 PolarHBondContact O-N 3.28Å; Y264-S267 VanDerWaalsContact O-N 3.13Å; Y264-S267 PolarHBondContact O-OG 3.07Å; V265-S267 PolarHBondContact O-N 2.89Å
268	R	89.8	Confident	93.2	Very high	97 Å²	97	89.7 Å²	89.7	37%	0.366	45%	0.452	S	S	.	.	S	Bend	trans	-77.4	154.8	178.1	-57.8	-60.2	-67.4	176.3	-4.4	110.8	V265 M266 K270	V265-R268 WeakPolarHBondContact O-CB 3.2Å; V265-R268 PolarHBondContact O-N 2.87Å; V265-R268 VanDerWaalsContact O-N 3.15Å; M266-R268 VanDerWaalsContact C-N 3.31Å; R268-K270 PolarHBondContact O-N 3.4Å
269	P	90.5	Very high	93.4	Very high	91 Å²	91	83.4 Å²	83.4	59%	0.591	42%	0.423	S	S	*	.	P	Polyproline II helix	trans	-53.8	138.5	172.1	-24.2	34.4	0	0	0	111.2
270	K	93.4	Very high	93.7	Very high	184 Å²	184	74.8 Å²	74.8	80%	0.8	39%	0.389	S	S	*	.	P	Polyproline II helix	trans	-76.1	131.7	170.7	-66.9	-174.3	179.7	-176.7	0	109	R268	R268-K270 PolarHBondContact O-N 3.4Å
271	N	94.7	Very high	93.9	Very high	46 Å²	46	73.3 Å²	73.3	25%	0.246	37%	0.373	C	S	.	.			trans	-110.8	134.1	175.8	-66.5	-41.8	0	0	0	109.2	T243 G247 T248	T243-N271 WeakPolarHBondContact O-CB 3.22Å; T243-N271 PolarHBondContact OG1-ND2 2.87Å; G247-N271 CarbonylContact C-O 3.39Å; G247-N271 VanDerWaalsContact CA-O 3.27Å; G247-N271 WeakPolarHBondContact CA-O 3.31Å; T248-N271 PolarHBondContact N-O 3.47Å; T248-N271 PolarHBondContact OG1-N 2.83Å
272	E	95.3	Very high	94.1	Very high	163 Å²	163	76.5 Å²	76.5	76%	0.762	39%	0.389	S	S	*	.	P	Polyproline II helix	trans	-76.7	141.2	168.1	-65.6	-58.6	141.6	0	0	109.4
273	P	95.3	Very high	94.2	Very high	81 Å²	81	79.3 Å²	79.3	53%	0.526	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-67.7	137.8	178.7	29	-34.2	0	0	0	110.7
274	R	95.7	Very high	94.3	Very high	93 Å²	93	82.2 Å²	82.2	35%	0.351	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-74.3	145.1	164.8	-68.6	176.2	61.4	-166.8	-8.7	109.1	E245 E278 L279	E245-R274 PolarHBondContact O-N 3.35Å; E245-R274 IonicContact OE1-NH1 3.65Å; E245-R274 VanDerWaalsContact OE2-CD 3.32Å; E245-R274 WeakPolarHBondContact OE2-CD 3.25Å; E245-R274 IonicContact OE2-CZ 3.85Å; E245-R274 IonicContact OE2-NE 3.02Å; E245-R274 IonicContact OE2-NH1 3.32Å; E245-R274 PolarHBondContact OE2-NH1 3.41Å; R274-E278 PolarHBondContact NH2-O 2.87Å; R274-L279 HydrophobicContact CB-CD1 4.43Å; R274-L279 HydrophobicContact CB-CD2 3.9Å; R274-L279 HydrophobicContact CB-CG 3.93Å
275	S	96.8	Very high	94.7	Very high	53 Å²	53	79.2 Å²	79.2	37%	0.371	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-67	149.5	173.7	67.9	0	0	0	0	110.5	T277 E278 L279	S275-T277 PolarHBondContact O-N 3.27Å; S275-E278 WeakPolarHBondContact CB-OE2 3.32Å; S275-E278 PolarHBondContact N-OE2 3.05Å; S275-E278 WeakPolarHBondContact O-CB 3.46Å; S275-E278 PolarHBondContact O-N 3.11Å; S275-E278 WeakPolarHBondContact OG-CB 3.32Å; S275-E278 VanDerWaalsContact OG-CD 3.31Å; S275-E278 WeakPolarHBondContact OG-CG 3.25Å; S275-E278 PolarHBondContact OG-N 3.16Å; S275-E278 PolarHBondContact OG-OE2 2.98Å; S275-L279 WeakPolarHBondContact O-CG 3.46Å; S275-L279 PolarHBondContact O-N 2.98Å
276	F	97.7	Very high	94.9	Very high	42 Å²	42	80.8 Å²	80.8	18%	0.184	41%	0.413	C	S	.	.	H	α-helix	trans	-64	-22.2	176.5	-88.5	-101.6	0	0	0	112.8	L246 L279 F280 R301 L304 S305 L308	L246-F276 HydrophobicContact CD2-CE2 4.19Å; L246-F276 HydrophobicContact CD2-CZ 3.89Å; F276-L279 HydrophobicContact CE2-CD1 4.5Å; F276-F280 AromaticContact CD1-CD2 3.67Å; F276-F280 HydrophobicContact CD1-CD2 3.67Å; F276-F280 AromaticContact CD1-CE2 3.57Å; F276-F280 HydrophobicContact CD1-CE2 3.57Å; F276-F280 HydrophobicContact CE1-CD2 4.27Å; F276-F280 AromaticContact CE1-CE2 3.69Å; F276-F280 HydrophobicContact CE1-CE2 3.69Å; F276-F280 HydrophobicContact CG-CD2 4.49Å; F276-F280 WeakPolarHBondContact O-CA 3.38Å; F276-F280 WeakPolarHBondContact O-CB 3.21Å; F276-F280 PolarHBondContact O-N 2.95Å; F276-R301 HydrophobicContact CB-CG 3.87Å; F276-L304 HydrophobicContact CD1-CB 4.2Å; F276-L304 HydrophobicContact CE1-CB 4.13Å; F276-S305 VanDerWaalsContact CZ-CA 3.5Å; F276-L308 HydrophobicContact CE1-CB 4.2Å; F276-L308 HydrophobicContact CE1-CD1 4.23Å; F276-L308 HydrophobicContact CZ-CB 3.96Å
277	T	97.3	Very high	95.2	Very high	82 Å²	82	81.1 Å²	81.1	50%	0.503	42%	0.423	S	S	.	.	H	α-helix	trans	-70.8	-34	170.8	-52.1	0	0	0	0	112.1	S275 F280 P281	S275-T277 PolarHBondContact O-N 3.27Å; T277-F280 CarbonylContact O-C 3.39Å; T277-P281 WeakPolarHBondContact O-CA 3.29Å
278	E	96.7	Very high	95.5	Very high	115 Å²	115	81.2 Å²	81.2	54%	0.537	42%	0.421	S	S	.	.	H	α-helix	trans	-77.6	-31.3	173.6	-71.4	165.7	121.7	0	0	112.8	R274 S275	R274-E278 PolarHBondContact NH2-O 2.87Å; S275-E278 WeakPolarHBondContact CB-OE2 3.32Å; S275-E278 PolarHBondContact N-OE2 3.05Å; S275-E278 WeakPolarHBondContact O-CB 3.46Å; S275-E278 PolarHBondContact O-N 3.11Å; S275-E278 WeakPolarHBondContact OG-CB 3.32Å; S275-E278 VanDerWaalsContact OG-CD 3.31Å; S275-E278 WeakPolarHBondContact OG-CG 3.25Å; S275-E278 PolarHBondContact OG-N 3.16Å; S275-E278 PolarHBondContact OG-OE2 2.98Å
279	L	97.1	Very high	95.9	Very high	8 Å²	8	77.3 Å²	77.3	4%	0.042	41%	0.409	C	S	.	.	H	α-helix	trans	-73.5	-42.1	175.5	-67.9	175.2	0	0	0	111.3	E245 L246 R274 S275 F276	E245-L279 HydrophobicContact CB-CD2 3.98Å; E245-L279 HydrophobicContact CG-CD2 4.42Å; E245-L279 WeakPolarHBondContact OE2-CD2 3.12Å; L246-L279 HydrophobicContact CD2-CD1 4.01Å; R274-L279 HydrophobicContact CB-CD1 4.43Å; R274-L279 HydrophobicContact CB-CD2 3.9Å; R274-L279 HydrophobicContact CB-CG 3.93Å; S275-L279 WeakPolarHBondContact O-CG 3.46Å; S275-L279 PolarHBondContact O-N 2.98Å; F276-L279 HydrophobicContact CE2-CD1 4.5Å
280	F	97.8	Very high	96.1	Very high	0 Å²	0	79.7 Å²	79.7	0%	0	42%	0.422	C	S	.	.	S	Bend	trans	-127.9	76.3	-177.5	-51.2	-82.1	0	0	0	109.6	A221 V224 L225 L229 F276 T277 F285 R301 L304 L308	A221-F280 HydrophobicContact CB-CE1 3.63Å; A221-F280 HydrophobicContact CB-CZ 3.73Å; V224-F280 HydrophobicContact CB-CD1 4.46Å; V224-F280 HydrophobicContact CG1-CD1 4.01Å; L225-F280 HydrophobicContact CD1-CD1 4.02Å; L225-F280 HydrophobicContact CD1-CE1 3.58Å; L225-F280 HydrophobicContact CD1-CZ 4.41Å; L225-F280 HydrophobicContact CD2-CD1 3.89Å; L225-F280 HydrophobicContact CD2-CE1 4.31Å; L225-F280 HydrophobicContact CG-CD1 3.86Å; L225-F280 HydrophobicContact CG-CE1 3.81Å; L229-F280 HydrophobicContact CD2-CZ 4.34Å; F276-F280 AromaticContact CD1-CD2 3.67Å; F276-F280 HydrophobicContact CD1-CD2 3.67Å; F276-F280 AromaticContact CD1-CE2 3.57Å; F276-F280 HydrophobicContact CD1-CE2 3.57Å; F276-F280 HydrophobicContact CE1-CD2 4.27Å; F276-F280 AromaticContact CE1-CE2 3.69Å; F276-F280 HydrophobicContact CE1-CE2 3.69Å; F276-F280 HydrophobicContact CG-CD2 4.49Å; F276-F280 WeakPolarHBondContact O-CA 3.38Å; F276-F280 WeakPolarHBondContact O-CB 3.21Å; F276-F280 PolarHBondContact O-N 2.95Å; T277-F280 CarbonylContact O-C 3.39Å; F280-F285 HydrophobicContact CB-CE2 3.73Å; F280-F285 HydrophobicContact CB-CZ 3.74Å; F280-F285 WeakPolarHBondContact O-CE2 3.43Å; F280-R301 PolarHBondContact O-NE 3.48Å; F280-R301 PolarHBondContact O-NH2 2.95Å; F280-L304 HydrophobicContact CD1-CD1 3.74Å; F280-L304 HydrophobicContact CD2-CD1 4.04Å; F280-L304 HydrophobicContact CE1-CD1 3.81Å; F280-L304 HydrophobicContact CE1-CD2 4.4Å; F280-L304 HydrophobicContact CE2-CB 4.32Å; F280-L304 HydrophobicContact CE2-CD1 4.12Å; F280-L304 HydrophobicContact CG-CD1 3.85Å; F280-L304 HydrophobicContact CZ-CD1 4Å; F280-L304 HydrophobicContact CZ-CD2 4.17Å; F280-L308 HydrophobicContact CE2-CD1 4.29Å; F280-L308 HydrophobicContact CZ-CD1 3.96Å
281	P	97.1	Very high	96.2	Very high	40 Å²	40	78.2 Å²	78.2	26%	0.26	42%	0.418	S	S	.	.			trans	-67.7	156.5	177.8	25.4	-29.8	0	0	0	111.5	T277 D283 R284 F285	T277-P281 WeakPolarHBondContact O-CA 3.29Å; P281-D283 VanDerWaalsContact CB-OD1 3.28Å; P281-D283 WeakPolarHBondContact CB-OD1 3.25Å; P281-D283 VanDerWaalsContact CG-OD1 3.27Å; P281-D283 WeakPolarHBondContact CG-OD1 3.32Å; P281-D283 PolarHBondContact O-N 2.94Å; P281-D283 VanDerWaalsContact O-N 3.17Å; P281-R284 HydrophobicContact CG-CG 3.79Å; P281-R284 WeakPolarHBondContact O-CB 3.24Å; P281-R284 PolarHBondContact O-N 3.43Å; P281-F285 WeakPolarHBondContact O-CD2 3.47Å
282	D	95	Very high	96.2	Very high	105 Å²	105	78.6 Å²	78.6	56%	0.561	42%	0.419	S	S	*	.	G	3₁₀ helix	trans	-57.6	-31.6	-173.1	-70.3	-26.5	0	0	0	113.2	R284 F285 R301	D282-R284 PolarHBondContact O-N 3.48Å; D282-F285 PolarHBondContact O-N 3.35Å; D282-F285 VanDerWaalsContact O-N 3.15Å; D282-R301 IonicContact OD1-CZ 3.33Å; D282-R301 IonicContact OD1-NH1 3.49Å; D282-R301 PolarHBondContact OD1-NH1 3.04Å; D282-R301 IonicContact OD1-NH2 2.73Å; D282-R301 PolarHBondContact OD1-NH2 2.86Å
283	D	95.1	Very high	96.3	Very high	121 Å²	121	79.7 Å²	79.7	65%	0.647	42%	0.423	S	S	*	.	G	3₁₀ helix	trans	-69.7	-8.3	179.1	69.6	-35.6	0	0	0	114.1	P281	P281-D283 VanDerWaalsContact CB-OD1 3.28Å; P281-D283 WeakPolarHBondContact CB-OD1 3.25Å; P281-D283 VanDerWaalsContact CG-OD1 3.27Å; P281-D283 WeakPolarHBondContact CG-OD1 3.32Å; P281-D283 PolarHBondContact O-N 2.94Å; P281-D283 VanDerWaalsContact O-N 3.17Å
284	R	95.5	Very high	96.4	Very high	130 Å²	130	78 Å²	78	49%	0.491	41%	0.411	S	S	.	.	G	3₁₀ helix	trans	-91.8	-10.3	173.9	-59.1	-64.5	171.7	-177	-4.1	113.5	V224 L225 P281 D282	V224-R284 HydrophobicContact CG1-CB 4.07Å; L225-R284 HydrophobicContact CD2-CB 4.4Å; L225-R284 HydrophobicContact CD2-CG 4.15Å; P281-R284 HydrophobicContact CG-CG 3.79Å; P281-R284 WeakPolarHBondContact O-CB 3.24Å; P281-R284 PolarHBondContact O-N 3.43Å; D282-R284 PolarHBondContact O-N 3.48Å
285	F	96.5	Very high	96.5	Very high	17 Å²	17	73.5 Å²	73.5	8%	0.075	40%	0.395	C	S	.	.	S	Bend	trans	-98.6	147.7	176.3	-65.5	-82.9	0	0	0	110.2	H130 V224 F280 P281 D282 A297 A300 R301 L304	H130-F285 AromaticContact CE1-CD1 3.87Å; V224-F285 HydrophobicContact CB-CE1 4.28Å; V224-F285 HydrophobicContact CG1-CD1 3.89Å; V224-F285 HydrophobicContact CG1-CD2 4.5Å; V224-F285 HydrophobicContact CG1-CE1 3.53Å; V224-F285 HydrophobicContact CG1-CE2 4.2Å; V224-F285 HydrophobicContact CG1-CG 4.38Å; V224-F285 HydrophobicContact CG1-CZ 3.72Å; V224-F285 HydrophobicContact CG2-CD1 4.14Å; V224-F285 HydrophobicContact CG2-CE1 3.66Å; V224-F285 HydrophobicContact CG2-CZ 4.46Å; F280-F285 HydrophobicContact CB-CE2 3.73Å; F280-F285 HydrophobicContact CB-CZ 3.74Å; F280-F285 WeakPolarHBondContact O-CE2 3.43Å; P281-F285 WeakPolarHBondContact O-CD2 3.47Å; D282-F285 PolarHBondContact O-N 3.35Å; D282-F285 VanDerWaalsContact O-N 3.15Å; F285-A297 HydrophobicContact CB-CB 3.63Å; F285-A297 HydrophobicContact CD1-CB 4.33Å; F285-A297 HydrophobicContact CD2-CB 3.62Å; F285-A297 HydrophobicContact CE2-CB 4.32Å; F285-A297 HydrophobicContact CG-CB 3.59Å; F285-A300 HydrophobicContact CD1-CB 3.9Å; F285-A300 HydrophobicContact CE1-CB 3.46Å; F285-A300 VanDerWaalsContact CE1-CB 3.46Å; F285-A300 HydrophobicContact CZ-CB 4.27Å; F285-R301 HydrophobicContact CZ-CB 4.23Å; F285-L304 HydrophobicContact CE1-CD1 4.5Å; F285-L304 HydrophobicContact CZ-CD1 4.27Å
286	P	95.2	Very high	96.5	Very high	38 Å²	38	72.5 Å²	72.5	25%	0.247	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-64.1	166.2	170.1	28.2	-33	0	0	0	110.8	H130	H130-P286 HydrophobicContact CB-CG 4.49Å; H130-P286 PolarHBondContact NE2-O 3.25Å
287	P	96.1	Very high	96.6	Very high	109 Å²	109	71.3 Å²	71.3	71%	0.708	38%	0.383	S	S	*	.	P	Polyproline II helix	trans	-54	146.8	170.7	-24.1	34.3	0	0	0	111.5	H130	H130-P287 PolarHBondContact CD2-O 3.05Å
288	P	97	Very high	96.6	Very high	90 Å²	90	73.9 Å²	73.9	58%	0.584	39%	0.39	S	S	*	.	P	Polyproline II helix	trans	-59.5	148.3	179.2	27.2	-35.4	0	0	0	111.2	N296	P288-N296 HydrophobicContact CB-CB 3.92Å
289	S	97.2	Very high	96.7	Very high	16 Å²	16	70.4 Å²	70.4	11%	0.112	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-58	139.9	175.9	177.4	0	0	0	0	111.5	E131 E291 H292 L295	E131-S289 WeakPolarHBondContact OE1-CA 3.34Å; E131-S289 WeakPolarHBondContact OE1-CB 3.3Å; E131-S289 PolarHBondContact OE1-OG 2.94Å; S289-E291 PolarHBondContact OG-N 3.41Å; S289-E291 VanDerWaalsContact OG-N 3.08Å; S289-H292 WeakPolarHBondContact CB-O 3.36Å; S289-H292 PolarHBondContact OG-N 3.27Å; S289-L295 PolarHBondContact N-O 2.87Å
290	T	95.3	Very high	96.7	Very high	140 Å²	140	70 Å²	70	86%	0.859	37%	0.371	S	S	*	.	S	Bend	trans	-84.7	-14.1	170.8	54.8	0	0	0	0	113
291	E	95.2	Very high	96.8	Very high	154 Å²	154	71.5 Å²	71.5	72%	0.72	38%	0.377	S	S	*	.	S	Bend	trans	-102.5	-30.3	-175.8	-61.8	-171.7	174.6	0	0	112.2	S289	S289-E291 PolarHBondContact OG-N 3.41Å; S289-E291 VanDerWaalsContact OG-N 3.08Å
292	H	95.9	Very high	96.8	Very high	54 Å²	54	72.1 Å²	72.1	25%	0.25	38%	0.378	C	S	.	.			trans	-130.4	108.5	-175.8	-60.8	-73.6	0	0	0	111.8	S289 T294 L295 V329	S289-H292 WeakPolarHBondContact CB-O 3.36Å; S289-H292 PolarHBondContact OG-N 3.27Å; H292-T294 PolarHBondContact O-N 3.2Å; H292-L295 HydrophobicContact CB-CB 4.01Å; H292-L295 HydrophobicContact CB-CD1 3.7Å; H292-L295 HydrophobicContact CB-CG 3.59Å; H292-L295 WeakPolarHBondContact O-CB 3.34Å; H292-L295 PolarHBondContact O-N 3.49Å; H292-V329 HydrophobicContact CB-CG1 4.34Å
293	E	96.2	Very high	97	Very high	185 Å²	185	67.1 Å²	67.1	86%	0.864	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-28	-176.3	-54.6	179	-162.1	0	0	113.7	N296	E293-N296 PolarHBondContact O-ND2 3.2Å
294	T	97.5	Very high	97.2	Very high	45 Å²	45	61.3 Å²	61.3	28%	0.276	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-7.9	-179.2	60.2	0	0	0	0	113.7	H292 N296 Q299 P325 V329	H292-T294 PolarHBondContact O-N 3.2Å; T294-N296 PolarHBondContact O-N 2.83Å; T294-Q299 WeakPolarHBondContact O-CB 3.36Å; T294-Q299 VanDerWaalsContact O-CG 3.29Å; T294-Q299 WeakPolarHBondContact O-CG 3.4Å; T294-P325 VanDerWaalsContact CB-O 3.29Å; T294-P325 WeakPolarHBondContact CB-O 3.4Å; T294-P325 HydrophobicContact CG2-CB 3.88Å; T294-P325 PolarHBondContact OG1-O 3.44Å; T294-V329 VanDerWaalsContact OG1-CG1 3.29Å; T294-V329 WeakPolarHBondContact OG1-CG1 3.48Å
295	L	98.3	Very high	97.3	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	31%	0.309	C	S	.	.			trans	-91.9	79.2	178.8	-67.6	-167.2	0	0	0	110	H130 E131 S289 H292 Y326 V329 W330	H130-L295 HydrophobicContact CB-CB 3.96Å; E131-L295 HydrophobicContact CB-CD1 4.37Å; E131-L295 HydrophobicContact CG-CD1 3.91Å; S289-L295 PolarHBondContact N-O 2.87Å; H292-L295 HydrophobicContact CB-CB 4.01Å; H292-L295 HydrophobicContact CB-CD1 3.7Å; H292-L295 HydrophobicContact CB-CG 3.59Å; H292-L295 WeakPolarHBondContact O-CB 3.34Å; H292-L295 PolarHBondContact O-N 3.49Å; L295-Y326 HydrophobicContact CD2-CD2 3.91Å; L295-Y326 HydrophobicContact CD2-CE2 4.04Å; L295-Y326 HydrophobicContact CD2-CG 4.39Å; L295-Y326 WeakPolarHBondContact CD2-O 3.28Å; L295-V329 HydrophobicContact CD1-CG2 4.19Å; L295-V329 HydrophobicContact CD2-CG2 4Å; L295-V329 HydrophobicContact CG-CG2 4.28Å; L295-W330 HydrophobicContact CD1-CZ2 4.13Å
296	N	97.8	Very high	97.4	Very high	31 Å²	31	61.7 Å²	61.7	17%	0.166	33%	0.327	C	S	.	.	S	Bend	trans	-147.8	170.6	-175.6	64.6	53.8	0	0	0	111.7	H130 P288 E293 T294 E298 Q299 A300	H130-N296 WeakPolarHBondContact NE2-CA 3.24Å; P288-N296 HydrophobicContact CB-CB 3.92Å; E293-N296 PolarHBondContact O-ND2 3.2Å; T294-N296 PolarHBondContact O-N 2.83Å; N296-E298 VanDerWaalsContact C-N 3.31Å; N296-E298 PolarHBondContact O-N 3.41Å; N296-E298 WeakPolarHBondContact OD1-CB 3.27Å; N296-E298 PolarHBondContact OD1-N 3.19Å; N296-Q299 PolarHBondContact O-N 3.28Å; N296-Q299 PolarHBondContact OD1-N 3.44Å; N296-A300 WeakPolarHBondContact O-CB 3.31Å; N296-A300 PolarHBondContact O-N 3.46Å
297	A	97.9	Very high	97.6	Very high	18 Å²	18	59.9 Å²	59.9	15%	0.149	32%	0.315	C	S	.	.	H	α-helix	trans	-58.7	-36.4	-178.9	0	0	0	0	0	114	H130 F285 R301	H130-A297 PolarHBondContact CE1-N 3.31Å; H130-A297 PolarHBondContact NE2-N 3Å; F285-A297 HydrophobicContact CB-CB 3.63Å; F285-A297 HydrophobicContact CD1-CB 4.33Å; F285-A297 HydrophobicContact CD2-CB 3.62Å; F285-A297 HydrophobicContact CE2-CB 4.32Å; F285-A297 HydrophobicContact CG-CB 3.59Å; A297-R301 WeakPolarHBondContact O-CB 3.39Å; A297-R301 PolarHBondContact O-N 2.95Å
298	E	98	Very high	97.7	Very high	136 Å²	136	54.9 Å²	54.9	64%	0.636	28%	0.282	S	S	*	.	H	α-helix	trans	-64.6	-50	-179.4	-176.7	-177.5	178.9	0	0	111	N296 R301 D302	N296-E298 VanDerWaalsContact C-N 3.31Å; N296-E298 PolarHBondContact O-N 3.41Å; N296-E298 WeakPolarHBondContact OD1-CB 3.27Å; N296-E298 PolarHBondContact OD1-N 3.19Å; E298-R301 PolarHBondContact O-N 3.13Å; E298-D302 PolarHBondContact O-N 2.88Å
299	Q	98.4	Very high	97.8	Very high	42 Å²	42	52.4 Å²	52.4	20%	0.196	27%	0.265	C	S	.	.	H	α-helix	trans	-69.3	-37.9	179.6	-65	-61.9	-35.4	0	0	111.9	T294 N296 D302 L303 H324 Y326	T294-Q299 WeakPolarHBondContact O-CB 3.36Å; T294-Q299 VanDerWaalsContact O-CG 3.29Å; T294-Q299 WeakPolarHBondContact O-CG 3.4Å; N296-Q299 PolarHBondContact O-N 3.28Å; N296-Q299 PolarHBondContact OD1-N 3.44Å; Q299-D302 PolarHBondContact O-N 2.68Å; Q299-L303 PolarHBondContact O-N 3.45Å; Q299-L303 VanDerWaalsContact O-N 3.08Å; Q299-H324 PolarHBondContact O-CE1 3.43Å; Q299-Y326 HydrophobicContact CB-CD2 3.95Å; Q299-Y326 HydrophobicContact CB-CG 4.4Å
300	A	98.5	Very high	97.8	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-60	-45.9	173.5	0	0	0	0	0	111.7	F220 F285 N296 L303 L304 Y326	F220-A300 WeakPolarHBondContact CE1-O 3.48Å; F220-A300 HydrophobicContact CZ-CB 3.82Å; F285-A300 HydrophobicContact CD1-CB 3.9Å; F285-A300 HydrophobicContact CE1-CB 3.46Å; F285-A300 VanDerWaalsContact CE1-CB 3.46Å; F285-A300 HydrophobicContact CZ-CB 4.27Å; N296-A300 WeakPolarHBondContact O-CB 3.31Å; N296-A300 PolarHBondContact O-N 3.46Å; A300-L303 PolarHBondContact O-N 2.87Å; A300-L304 PolarHBondContact O-N 3.29Å; A300-Y326 HydrophobicContact CB-CD2 4.06Å; A300-Y326 HydrophobicContact CB-CE1 4.17Å; A300-Y326 HydrophobicContact CB-CE2 3.67Å; A300-Y326 HydrophobicContact CB-CG 4.47Å
301	R	98.5	Very high	97.9	Very high	30 Å²	30	46.9 Å²	46.9	11%	0.113	23%	0.229	C	C	.	.	H	α-helix	trans	-67	-40.5	177.9	-173.8	-172.9	-61.2	114.4	2.8	112.5	F276 F280 D282 F285 A297 E298 L303 L304 S305	F276-R301 HydrophobicContact CB-CG 3.87Å; F280-R301 PolarHBondContact O-NE 3.48Å; F280-R301 PolarHBondContact O-NH2 2.95Å; D282-R301 IonicContact OD1-CZ 3.33Å; D282-R301 IonicContact OD1-NH1 3.49Å; D282-R301 PolarHBondContact OD1-NH1 3.04Å; D282-R301 IonicContact OD1-NH2 2.73Å; D282-R301 PolarHBondContact OD1-NH2 2.86Å; F285-R301 HydrophobicContact CZ-CB 4.23Å; A297-R301 WeakPolarHBondContact O-CB 3.39Å; A297-R301 PolarHBondContact O-N 2.95Å; E298-R301 PolarHBondContact O-N 3.13Å; R301-L303 VanDerWaalsContact C-N 3.34Å; R301-L303 PolarHBondContact O-N 2.9Å; R301-L304 PolarHBondContact O-N 3.22Å; R301-S305 PolarHBondContact O-N 3.06Å
302	D	98.7	Very high	97.9	Very high	53 Å²	53	40.2 Å²	40.2	28%	0.283	20%	0.199	S	C	.	.	H	α-helix	trans	-58.9	-47.4	175.4	-171	54.8	0	0	0	110.4	E298 Q299 L304 S305 R306 H324	E298-D302 PolarHBondContact O-N 2.88Å; Q299-D302 PolarHBondContact O-N 2.68Å; D302-L304 PolarHBondContact O-N 2.76Å; D302-S305 WeakPolarHBondContact O-CB 3.35Å; D302-S305 PolarHBondContact O-N 3.18Å; D302-S305 VanDerWaalsContact O-N 3.11Å; D302-S305 PolarHBondContact O-OG 3.45Å; D302-R306 WeakPolarHBondContact O-CG 3.35Å; D302-R306 PolarHBondContact O-N 2.93Å; D302-R306 VanDerWaalsContact O-N 3.13Å; D302-R306 IonicContact OD1-NE 3.55Å; D302-R306 PolarHBondContact OD1-NE 2.97Å; D302-R306 IonicContact OD1-NH2 2.68Å; D302-R306 IonicContact OD2-CZ 2.94Å; D302-R306 IonicContact OD2-NE 3Å; D302-R306 PolarHBondContact OD2-NE 3.44Å; D302-R306 IonicContact OD2-NH2 2.71Å; D302-R306 PolarHBondContact OD2-NH2 3.25Å; D302-H324 IonicContact OD2-NE2 2.66Å; D302-H324 PolarHBondContact OD2-NE2 3.27Å; D302-H324 VanDerWaalsContact OD2-NE2 3.13Å
303	L	98.8	Very high	97.9	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-60.3	-45.2	176.9	-175	57.1	0	0	0	112.5	F220 Q299 A300 R301 S305 R306 M307 I316 A321 H324 Y326 I327	F220-L303 HydrophobicContact CE1-CB 4.22Å; F220-L303 HydrophobicContact CE1-CD2 4.04Å; F220-L303 HydrophobicContact CE1-CG 4.25Å; Q299-L303 PolarHBondContact O-N 3.45Å; Q299-L303 VanDerWaalsContact O-N 3.08Å; A300-L303 PolarHBondContact O-N 2.87Å; R301-L303 VanDerWaalsContact C-N 3.34Å; R301-L303 PolarHBondContact O-N 2.9Å; L303-S305 VanDerWaalsContact C-N 3.27Å; L303-S305 PolarHBondContact O-N 3.48Å; L303-R306 PolarHBondContact O-N 3.45Å; L303-R306 VanDerWaalsContact O-N 3.14Å; L303-M307 HydrophobicContact CD1-CE 3.83Å; L303-M307 HydrophobicContact CD1-CG 4.32Å; L303-M307 HydrophobicContact CD1-SD 4.41Å; L303-M307 HydrophobicContact CD2-CE 4.12Å; L303-M307 HydrophobicContact CG-CE 3.94Å; L303-M307 HydrophobicContact CG-SD 4.16Å; L303-M307 WeakPolarHBondContact O-CG 3.38Å; L303-M307 PolarHBondContact O-N 3.5Å; L303-I316 HydrophobicContact CD1-CD1 4.29Å; L303-A321 HydrophobicContact CD1-CB 4.49Å; L303-H324 HydrophobicContact CD1-CB 3.96Å; L303-Y326 HydrophobicContact CD2-CD1 4.12Å; L303-I327 HydrophobicContact CD2-CD1 3.89Å; L303-I327 HydrophobicContact CD2-CG1 3.59Å
304	L	98.7	Very high	97.9	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-55.6	-43.3	174.1	-80.2	164.7	0	0	0	111.5	F220 A221 V224 F276 F280 F285 A300 R301 D302 R306 M307 L308	F220-L304 HydrophobicContact CB-CD2 3.92Å; F220-L304 HydrophobicContact CD1-CD1 4.42Å; F220-L304 HydrophobicContact CD1-CD2 3.52Å; F220-L304 HydrophobicContact CD1-CG 3.57Å; F220-L304 HydrophobicContact CE1-CD1 4.3Å; F220-L304 HydrophobicContact CE1-CD2 4.17Å; F220-L304 HydrophobicContact CE1-CG 3.68Å; F220-L304 HydrophobicContact CG-CD2 3.76Å; F220-L304 HydrophobicContact CG-CG 4.17Å; F220-L304 HydrophobicContact CZ-CG 4.35Å; A221-L304 HydrophobicContact CB-CD2 4.04Å; V224-L304 HydrophobicContact CG2-CD1 4.39Å; F276-L304 HydrophobicContact CD1-CB 4.2Å; F276-L304 HydrophobicContact CE1-CB 4.13Å; F280-L304 HydrophobicContact CD1-CD1 3.74Å; F280-L304 HydrophobicContact CD2-CD1 4.04Å; F280-L304 HydrophobicContact CE1-CD1 3.81Å; F280-L304 HydrophobicContact CE1-CD2 4.4Å; F280-L304 HydrophobicContact CE2-CB 4.32Å; F280-L304 HydrophobicContact CE2-CD1 4.12Å; F280-L304 HydrophobicContact CG-CD1 3.85Å; F280-L304 HydrophobicContact CZ-CD1 4Å; F280-L304 HydrophobicContact CZ-CD2 4.17Å; F285-L304 HydrophobicContact CE1-CD1 4.5Å; F285-L304 HydrophobicContact CZ-CD1 4.27Å; A300-L304 PolarHBondContact O-N 3.29Å; R301-L304 PolarHBondContact O-N 3.22Å; D302-L304 PolarHBondContact O-N 2.76Å; L304-R306 PolarHBondContact O-N 3.08Å; L304-M307 PolarHBondContact O-N 3.34Å; L304-L308 HydrophobicContact CD2-CD1 4.13Å; L304-L308 WeakPolarHBondContact O-CB 3.35Å; L304-L308 PolarHBondContact O-N 3.46Å
305	S	98.5	Very high	97.9	Very high	36 Å²	36	39.7 Å²	39.7	25%	0.252	20%	0.197	S	C	.	.	H	α-helix	trans	-65.5	-27.5	-179.9	82.8	0	0	0	0	114	F276 R301 D302 L303 V309	F276-S305 VanDerWaalsContact CZ-CA 3.5Å; R301-S305 PolarHBondContact O-N 3.06Å; D302-S305 WeakPolarHBondContact O-CB 3.35Å; D302-S305 PolarHBondContact O-N 3.18Å; D302-S305 VanDerWaalsContact O-N 3.11Å; D302-S305 PolarHBondContact O-OG 3.45Å; L303-S305 VanDerWaalsContact C-N 3.27Å; L303-S305 PolarHBondContact O-N 3.48Å; S305-V309 VanDerWaalsContact O-CG2 3.24Å; S305-V309 WeakPolarHBondContact O-CG2 3.42Å
306	R	98.7	Very high	98	Very high	118 Å²	118	40.6 Å²	40.6	45%	0.445	20%	0.202	S	C	.	.	H	α-helix	trans	-86.5	-27.5	178	-65.7	174.9	-174	-103.4	1.6	113.1	D302 L303 L304 I316	D302-R306 WeakPolarHBondContact O-CG 3.35Å; D302-R306 PolarHBondContact O-N 2.93Å; D302-R306 VanDerWaalsContact O-N 3.13Å; D302-R306 IonicContact OD1-NE 3.55Å; D302-R306 PolarHBondContact OD1-NE 2.97Å; D302-R306 IonicContact OD1-NH2 2.68Å; D302-R306 IonicContact OD2-CZ 2.94Å; D302-R306 IonicContact OD2-NE 3Å; D302-R306 PolarHBondContact OD2-NE 3.44Å; D302-R306 IonicContact OD2-NH2 2.71Å; D302-R306 PolarHBondContact OD2-NH2 3.25Å; L303-R306 PolarHBondContact O-N 3.45Å; L303-R306 VanDerWaalsContact O-N 3.14Å; L304-R306 PolarHBondContact O-N 3.08Å; R306-I316 HydrophobicContact CB-CB 3.97Å; R306-I316 HydrophobicContact CB-CD1 4.1Å; R306-I316 HydrophobicContact CB-CG2 4.11Å; R306-I316 WeakPolarHBondContact O-CG2 3.44Å; R306-I316 PolarHBondContact O-N 2.88Å
307	M	98.8	Very high	98	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-82.7	-42.3	175.3	-69.7	-178.7	166.5	0	0	112.8	L141 I213 V216 L303 L304 V309 R315 I316 A321	L141-M307 HydrophobicContact CD1-CE 4.26Å; L141-M307 HydrophobicContact CD2-CE 4.1Å; I213-M307 HydrophobicContact CG2-CB 4.29Å; I213-M307 HydrophobicContact CG2-CG 3.94Å; V216-M307 HydrophobicContact CG1-CE 3.99Å; V216-M307 HydrophobicContact CG1-SD 4.18Å; L303-M307 HydrophobicContact CD1-CE 3.83Å; L303-M307 HydrophobicContact CD1-CG 4.32Å; L303-M307 HydrophobicContact CD1-SD 4.41Å; L303-M307 HydrophobicContact CD2-CE 4.12Å; L303-M307 HydrophobicContact CG-CE 3.94Å; L303-M307 HydrophobicContact CG-SD 4.16Å; L303-M307 WeakPolarHBondContact O-CG 3.38Å; L303-M307 PolarHBondContact O-N 3.5Å; L304-M307 PolarHBondContact O-N 3.34Å; M307-V309 PolarHBondContact O-N 3.03Å; M307-R315 VanDerWaalsContact O-CD 3.25Å; M307-R315 WeakPolarHBondContact O-CD 3.46Å; M307-R315 VanDerWaalsContact O-CG 3.27Å; M307-R315 WeakPolarHBondContact O-CG 3.47Å; M307-I316 HydrophobicContact CG-CG2 3.81Å; M307-A321 HydrophobicContact CE-CB 4.1Å
308	L	98.7	Very high	98	Very high	5 Å²	5	40.7 Å²	40.7	3%	0.026	20%	0.203	C	C	.	.	S	Bend	trans	-87.5	54	-176.1	-65.1	175.8	0	0	0	111.8	A221 L229 F230 L246 F276 F280 L304	A221-L308 HydrophobicContact CB-CD1 4.25Å; L229-L308 HydrophobicContact CD2-CD1 3.64Å; L229-L308 HydrophobicContact CD2-CD2 4.45Å; F230-L308 HydrophobicContact CE2-CD2 4.36Å; L246-L308 HydrophobicContact CD1-CB 4.36Å; L246-L308 WeakPolarHBondContact CD1-O 3.3Å; F276-L308 HydrophobicContact CE1-CB 4.2Å; F276-L308 HydrophobicContact CE1-CD1 4.23Å; F276-L308 HydrophobicContact CZ-CB 3.96Å; F280-L308 HydrophobicContact CE2-CD1 4.29Å; F280-L308 HydrophobicContact CZ-CD1 3.96Å; L304-L308 HydrophobicContact CD2-CD1 4.13Å; L304-L308 WeakPolarHBondContact O-CB 3.35Å; L304-L308 PolarHBondContact O-N 3.46Å
309	V	98.1	Very high	97.9	Very high	37 Å²	37	37.6 Å²	37.6	22%	0.224	19%	0.191	C	C	.	.			trans	-104.4	123.9	176.8	-178.1	0	0	0	0	109.4	S305 M307 D311 Q314 R315	S305-V309 VanDerWaalsContact O-CG2 3.24Å; S305-V309 WeakPolarHBondContact O-CG2 3.42Å; M307-V309 PolarHBondContact O-N 3.03Å; V309-D311 VanDerWaalsContact C-N 3.32Å; V309-D311 PolarHBondContact O-N 3.06Å; V309-Q314 HydrophobicContact CG1-CB 3.91Å; V309-R315 HydrophobicContact CB-CB 4.09Å; V309-R315 HydrophobicContact CB-CG 4.42Å; V309-R315 PolarHBondContact O-NE 3.03Å; V309-R315 PolarHBondContact O-NH2 3Å
310	I	97.3	Very high	97.9	Very high	13 Å²	13	40.2 Å²	40.2	7%	0.067	21%	0.206	C	C	.	.	S	Bend	trans	-61	-42.8	-178.4	-67.9	177.5	0	0	0	110.9	P199 W214 W239 I242 L246 G247 P249 F253 P312 R315	P199-I310 HydrophobicContact CB-CG2 4.32Å; P199-I310 HydrophobicContact CG-CG1 4.48Å; P199-I310 HydrophobicContact CG-CG2 4.29Å; W214-I310 HydrophobicContact CZ3-CG1 4.49Å; W239-I310 HydrophobicContact CH2-CG2 4.24Å; W239-I310 HydrophobicContact CZ3-CG2 4.23Å; I242-I310 HydrophobicContact CG2-CD1 3.93Å; I242-I310 HydrophobicContact CG2-CG1 3.97Å; L246-I310 HydrophobicContact CB-CD1 4.04Å; L246-I310 HydrophobicContact CB-CG1 4.29Å; L246-I310 HydrophobicContact CD1-CG1 4.16Å; G247-I310 WeakPolarHBondContact O-CD1 2.95Å; P249-I310 HydrophobicContact CB-CG2 4.01Å; P249-I310 HydrophobicContact CG-CG2 4.01Å; F253-I310 HydrophobicContact CD2-CG2 4.33Å; F253-I310 HydrophobicContact CE1-CG2 4.21Å; F253-I310 HydrophobicContact CE2-CG2 3.93Å; F253-I310 HydrophobicContact CZ-CG2 3.86Å; I310-P312 WeakPolarHBondContact O-CD 3.5Å; I310-R315 PolarHBondContact O-NH2 3.31Å
311	D	96.6	Very high	97.9	Very high	27 Å²	27	40.2 Å²	40.2	14%	0.144	21%	0.206	C	C	.	.	S	Bend	trans	-76.1	111.9	177.7	-166.9	-31.6	0	0	0	111	F253 R256 V309 L313 Q314 R315	F253-D311 HydrophobicContact CD2-CB 4.18Å; R256-D311 IonicContact CZ-OD1 3.03Å; R256-D311 IonicContact CZ-OD2 3.74Å; R256-D311 IonicContact NH1-OD1 2.66Å; R256-D311 IonicContact NH2-OD1 2.75Å; R256-D311 PolarHBondContact NH2-OD1 3.05Å; R256-D311 IonicContact NH2-OD2 3.9Å; R256-D311 PolarHBondContact NH2-OD2 2.88Å; V309-D311 VanDerWaalsContact C-N 3.32Å; V309-D311 PolarHBondContact O-N 3.06Å; D311-L313 PolarHBondContact O-N 3.31Å; D311-L313 VanDerWaalsContact O-N 3.13Å; D311-L313 WeakPolarHBondContact OD1-CB 3.37Å; D311-L313 PolarHBondContact OD1-N 2.89Å; D311-Q314 HydrophobicContact CB-CB 4.35Å; D311-Q314 HydrophobicContact CB-CG 4.22Å; D311-Q314 PolarHBondContact O-N 3.42Å; D311-R315 PolarHBondContact O-N 3.38Å; D311-R315 VanDerWaalsContact O-N 3.17Å
312	P	96.2	Very high	97.9	Very high	15 Å²	15	38.8 Å²	38.8	10%	0.097	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-15	-179.3	28.1	-36.4	0	0	0	114.1	E200 N210 I310 Q314	E200-P312 HydrophobicContact CB-CG 4.44Å; E200-P312 HydrophobicContact CG-CG 4.35Å; N210-P312 PolarHBondContact ND2-O 3.49Å; I310-P312 WeakPolarHBondContact O-CD 3.5Å; P312-Q314 VanDerWaalsContact C-N 3.32Å
313	L	95.4	Very high	97.9	Very high	121 Å²	121	40.9 Å²	40.9	63%	0.634	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-15.5	175.4	-59.1	179.7	0	0	0	112.8	D311	D311-L313 PolarHBondContact O-N 3.31Å; D311-L313 VanDerWaalsContact O-N 3.13Å; D311-L313 WeakPolarHBondContact OD1-CB 3.37Å; D311-L313 PolarHBondContact OD1-N 2.89Å
314	Q	96.8	Very high	97.9	Very high	144 Å²	144	41.3 Å²	41.3	67%	0.673	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109.7	-11.9	179.4	-59.6	-58.6	-60.4	0	0	112.2	V309 D311 P312	V309-Q314 HydrophobicContact CG1-CB 3.91Å; D311-Q314 HydrophobicContact CB-CB 4.35Å; D311-Q314 HydrophobicContact CB-CG 4.22Å; D311-Q314 PolarHBondContact O-N 3.42Å; P312-Q314 VanDerWaalsContact C-N 3.32Å
315	R	98.1	Very high	97.9	Very high	8 Å²	8	44 Å²	44	3%	0.03	23%	0.228	C	C	.	.	S	Bend	trans	-69	134.9	177	-170.3	-178.4	-49	137.6	2.8	109.9	E200 N210 I213 M307 V309 I310 D311	E200-R315 IonicContact OE1-CZ 3.61Å; E200-R315 IonicContact OE1-NH1 3.08Å; E200-R315 PolarHBondContact OE1-NH1 3.48Å; E200-R315 IonicContact OE1-NH2 3.9Å; E200-R315 PolarHBondContact OE1-NH2 2.68Å; E200-R315 IonicContact OE2-CZ 3.51Å; E200-R315 IonicContact OE2-NH1 3.63Å; E200-R315 IonicContact OE2-NH2 3.91Å; E200-R315 PolarHBondContact OE2-NH2 3Å; N210-R315 PolarHBondContact ND2-O 2.81Å; N210-R315 VanDerWaalsContact ND2-O 3.09Å; N210-R315 PolarHBondContact O-NH1 3.34Å; N210-R315 VanDerWaalsContact OD1-CD 3.3Å; N210-R315 WeakPolarHBondContact OD1-CD 3.41Å; I213-R315 HydrophobicContact CG2-CG 4.22Å; M307-R315 VanDerWaalsContact O-CD 3.25Å; M307-R315 WeakPolarHBondContact O-CD 3.46Å; M307-R315 VanDerWaalsContact O-CG 3.27Å; M307-R315 WeakPolarHBondContact O-CG 3.47Å; V309-R315 HydrophobicContact CB-CB 4.09Å; V309-R315 HydrophobicContact CB-CG 4.42Å; V309-R315 PolarHBondContact O-NE 3.03Å; V309-R315 PolarHBondContact O-NH2 3Å; I310-R315 PolarHBondContact O-NH2 3.31Å; D311-R315 PolarHBondContact O-N 3.38Å; D311-R315 VanDerWaalsContact O-N 3.17Å
316	I	98.6	Very high	97.9	Very high	19 Å²	19	42.3 Å²	42.3	10%	0.097	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-51.6	141.2	-179.8	-165.2	171	0	0	0	111.8	N210 I213 L303 R306 M307 D320 A321	N210-I316 PolarHBondContact OD1-O 2.86Å; I213-I316 HydrophobicContact CG2-CG2 3.88Å; L303-I316 HydrophobicContact CD1-CD1 4.29Å; R306-I316 HydrophobicContact CB-CB 3.97Å; R306-I316 HydrophobicContact CB-CD1 4.1Å; R306-I316 HydrophobicContact CB-CG2 4.11Å; R306-I316 WeakPolarHBondContact O-CG2 3.44Å; R306-I316 PolarHBondContact O-N 2.88Å; M307-I316 HydrophobicContact CG-CG2 3.81Å; I316-D320 HydrophobicContact CD1-CB 3.97Å; I316-D320 HydrophobicContact CG1-CB 3.5Å; I316-D320 VanDerWaalsContact CG1-CB 3.5Å; I316-A321 HydrophobicContact CD1-CB 4.12Å; I316-A321 HydrophobicContact CG1-CB 4.39Å; I316-A321 HydrophobicContact CG2-CB 4.42Å
317	S	98.1	Very high	97.9	Very high	40 Å²	40	36.7 Å²	36.7	28%	0.28	20%	0.195	S	C	.	.	P	Polyproline II helix	trans	-75.4	164.4	174.1	72.8	0	0	0	0	111.4	D319 D320 A321	S317-D319 VanDerWaalsContact C-N 3.27Å; S317-D319 PolarHBondContact O-N 3.16Å; S317-D320 PolarHBondContact O-N 3.23Å; S317-D320 WeakPolarHBondContact OG-CB 3.45Å; S317-D320 PolarHBondContact OG-N 3.08Å; S317-D320 PolarHBondContact OG-OD2 3.07Å; S317-A321 WeakPolarHBondContact O-CB 3.3Å; S317-A321 PolarHBondContact O-N 3.42Å
318	V	98	Very high	97.8	Very high	11 Å²	11	40.8 Å²	40.8	7%	0.067	21%	0.214	C	C	.	.	H	α-helix	trans	-61.7	-38.3	173.5	71.1	0	0	0	0	111.6	L141 V144 K145 I213 A321 L322	L141-V318 HydrophobicContact CD2-CG2 4.17Å; V144-V318 HydrophobicContact CB-CG2 4.43Å; V144-V318 HydrophobicContact CG1-CG2 4.11Å; K145-V318 HydrophobicContact CB-CG1 4.06Å; K145-V318 HydrophobicContact CB-CG2 3.8Å; K145-V318 HydrophobicContact CG-CG1 4.25Å; I213-V318 HydrophobicContact CD1-CB 3.83Å; I213-V318 HydrophobicContact CD1-CG2 4.06Å; V318-A321 PolarHBondContact O-N 3.4Å; V318-L322 HydrophobicContact CG2-CD1 4.41Å; V318-L322 WeakPolarHBondContact O-CG 3.22Å; V318-L322 PolarHBondContact O-N 3.05Å
319	D	97.5	Very high	97.8	Very high	70 Å²	70	42.8 Å²	42.8	37%	0.374	23%	0.226	S	C	.	.	H	α-helix	trans	-64.8	-46.9	178.3	-69.5	-74.9	0	0	0	111.7	K145 S317 A321 L322 H323	K145-D319 VanDerWaalsContact CE-OD1 3.3Å; K145-D319 WeakPolarHBondContact CE-OD1 3.49Å; K145-D319 IonicContact NZ-OD1 3.48Å; K145-D319 PolarHBondContact NZ-OD1 2.9Å; S317-D319 VanDerWaalsContact C-N 3.27Å; S317-D319 PolarHBondContact O-N 3.16Å; D319-A321 VanDerWaalsContact C-N 3.32Å; D319-A321 PolarHBondContact O-N 3.16Å; D319-L322 PolarHBondContact O-N 3.37Å; D319-H323 PolarHBondContact O-N 3.29Å; D319-H323 PolarHBondContact O-ND1 3.01Å
320	D	98.3	Very high	97.7	Very high	98 Å²	98	44.3 Å²	44.3	52%	0.524	23%	0.228	S	C	.	.	H	α-helix	trans	-67.3	-35.4	178.3	-63.8	-42.7	0	0	0	111.5	I316 S317 L322 H323 H324	I316-D320 HydrophobicContact CD1-CB 3.97Å; I316-D320 HydrophobicContact CG1-CB 3.5Å; I316-D320 VanDerWaalsContact CG1-CB 3.5Å; S317-D320 PolarHBondContact O-N 3.23Å; S317-D320 WeakPolarHBondContact OG-CB 3.45Å; S317-D320 PolarHBondContact OG-N 3.08Å; S317-D320 PolarHBondContact OG-OD2 3.07Å; D320-L322 VanDerWaalsContact C-N 3.34Å; D320-L322 PolarHBondContact O-N 3.14Å; D320-H323 CarbonylContact O-C 3.56Å; D320-H323 PolarHBondContact O-N 3.33Å; D320-H324 PolarHBondContact O-N 3.22Å; D320-H324 VanDerWaalsContact O-N 3.09Å
321	A	98.7	Very high	97.7	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-64.4	-37.9	175.9	0	0	0	0	0	112.2	L141 L303 M307 I316 S317 V318 D319 H323 H324	L141-A321 HydrophobicContact CD1-CB 3.99Å; L141-A321 HydrophobicContact CD2-CB 3.98Å; L303-A321 HydrophobicContact CD1-CB 4.49Å; M307-A321 HydrophobicContact CE-CB 4.1Å; I316-A321 HydrophobicContact CD1-CB 4.12Å; I316-A321 HydrophobicContact CG1-CB 4.39Å; I316-A321 HydrophobicContact CG2-CB 4.42Å; S317-A321 WeakPolarHBondContact O-CB 3.3Å; S317-A321 PolarHBondContact O-N 3.42Å; V318-A321 PolarHBondContact O-N 3.4Å; D319-A321 VanDerWaalsContact C-N 3.32Å; D319-A321 PolarHBondContact O-N 3.16Å; A321-H323 VanDerWaalsContact C-N 3.26Å; A321-H323 PolarHBondContact O-N 3.46Å; A321-H324 WeakPolarHBondContact O-CB 3.49Å; A321-H324 PolarHBondContact O-N 2.93Å
322	L	98.4	Very high	97.7	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-68.5	-24.2	174.8	-75.6	164.5	0	0	0	113.2	Y138 L141 K145 V318 D319 D320 I327 Y331 V336	Y138-L322 HydrophobicContact CD2-CD2 3.96Å; Y138-L322 HydrophobicContact CE2-CD2 4.19Å; L141-L322 HydrophobicContact CB-CD2 3.56Å; L141-L322 HydrophobicContact CB-CG 3.9Å; L141-L322 HydrophobicContact CD1-CD2 4.42Å; K145-L322 HydrophobicContact CB-CD1 4.16Å; K145-L322 HydrophobicContact CD-CD1 3.53Å; K145-L322 HydrophobicContact CG-CD1 4.49Å; V318-L322 HydrophobicContact CG2-CD1 4.41Å; V318-L322 WeakPolarHBondContact O-CG 3.22Å; V318-L322 PolarHBondContact O-N 3.05Å; D319-L322 PolarHBondContact O-N 3.37Å; D320-L322 VanDerWaalsContact C-N 3.34Å; D320-L322 PolarHBondContact O-N 3.14Å; L322-I327 HydrophobicContact CD2-CG2 4.3Å; L322-Y331 HydrophobicContact CB-CE2 4.44Å; L322-V336 HydrophobicContact CD1-CG1 3.91Å; L322-V336 HydrophobicContact CD2-CG2 4.39Å
323	H	98.3	Very high	97.7	Very high	97 Å²	97	53.5 Å²	53.5	45%	0.449	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-0.8	174.2	-68.9	87.6	0	0	0	113.4	D319 D320 A321 Y331	D319-H323 PolarHBondContact O-N 3.29Å; D319-H323 PolarHBondContact O-ND1 3.01Å; D320-H323 CarbonylContact O-C 3.56Å; D320-H323 PolarHBondContact O-N 3.33Å; A321-H323 VanDerWaalsContact C-N 3.26Å; A321-H323 PolarHBondContact O-N 3.46Å; H323-Y331 AromaticContact CE1-CE2 3.76Å; H323-Y331 AromaticContact NE2-CE2 3.75Å; H323-Y331 AromaticContact NE2-CZ 3.97Å
324	H	98.7	Very high	97.6	Very high	9 Å²	9	51.4 Å²	51.4	4%	0.042	27%	0.265	C	S	.	.	S	Bend	trans	-65.7	138.6	178.2	-169.9	-86.5	0	0	0	110.8	Q299 D302 L303 D320 A321 Y326 I327 H328	Q299-H324 PolarHBondContact O-CE1 3.43Å; D302-H324 IonicContact OD2-NE2 2.66Å; D302-H324 PolarHBondContact OD2-NE2 3.27Å; D302-H324 VanDerWaalsContact OD2-NE2 3.13Å; L303-H324 HydrophobicContact CD1-CB 3.96Å; D320-H324 PolarHBondContact O-N 3.22Å; D320-H324 VanDerWaalsContact O-N 3.09Å; A321-H324 WeakPolarHBondContact O-CB 3.49Å; A321-H324 PolarHBondContact O-N 2.93Å; H324-Y326 WeakPolarHBondContact ND1-CB 3.24Å; H324-Y326 PolarHBondContact ND1-N 2.94Å; H324-Y326 VanDerWaalsContact ND1-N 3.2Å; H324-Y326 PolarHBondContact O-N 3.3Å; H324-I327 PolarHBondContact O-N 2.65Å; H324-H328 WeakPolarHBondContact O-CB 3.4Å; H324-H328 PolarHBondContact O-N 2.87Å
325	P	98.3	Very high	97.4	Very high	56 Å²	56	45.9 Å²	45.9	36%	0.364	24%	0.24	S	C	.	.	H	α-helix	trans	-55.5	-32.2	-176	-27.1	33.9	0	0	0	114.9	T294 I327	T294-P325 VanDerWaalsContact CB-O 3.29Å; T294-P325 WeakPolarHBondContact CB-O 3.4Å; T294-P325 HydrophobicContact CG2-CB 3.88Å; T294-P325 PolarHBondContact OG1-O 3.44Å; P325-I327 VanDerWaalsContact C-N 3.26Å; P325-I327 PolarHBondContact O-N 2.92Å
326	Y	98.6	Very high	97.3	Very high	1 Å²	1	45.8 Å²	45.8	0%	0.004	24%	0.24	C	C	.	.	H	α-helix	trans	-67.1	-20.9	175.1	-164.8	-108.8	0	0	0	114.2	H130 S134 L137 F220 L295 Q299 A300 L303 H324	H130-Y326 HydrophobicContact CB-CE2 4.39Å; H130-Y326 AromaticContact ND1-CE2 3.42Å; H130-Y326 WeakPolarHBondContact ND1-CE2 3.46Å; H130-Y326 AromaticContact ND1-CZ 3.53Å; H130-Y326 PolarHBondContact ND1-OH 3.22Å; S134-Y326 WeakPolarHBondContact CB-O 3.31Å; S134-Y326 PolarHBondContact OG-O 2.81Å; L137-Y326 HydrophobicContact CD1-CE1 4.17Å; F220-Y326 HydrophobicContact CE1-CD1 4.47Å; F220-Y326 HydrophobicContact CE1-CE1 4.35Å; F220-Y326 HydrophobicContact CE2-CE1 4.15Å; F220-Y326 HydrophobicContact CZ-CD1 4.07Å; F220-Y326 AromaticContact CZ-CE1 3.55Å; F220-Y326 HydrophobicContact CZ-CE1 3.55Å; L295-Y326 HydrophobicContact CD2-CD2 3.91Å; L295-Y326 HydrophobicContact CD2-CE2 4.04Å; L295-Y326 HydrophobicContact CD2-CG 4.39Å; L295-Y326 WeakPolarHBondContact CD2-O 3.28Å; Q299-Y326 HydrophobicContact CB-CD2 3.95Å; Q299-Y326 HydrophobicContact CB-CG 4.4Å; A300-Y326 HydrophobicContact CB-CD2 4.06Å; A300-Y326 HydrophobicContact CB-CE1 4.17Å; A300-Y326 HydrophobicContact CB-CE2 3.67Å; A300-Y326 HydrophobicContact CB-CG 4.47Å; L303-Y326 HydrophobicContact CD2-CD1 4.12Å; H324-Y326 WeakPolarHBondContact ND1-CB 3.24Å; H324-Y326 PolarHBondContact ND1-N 2.94Å; H324-Y326 VanDerWaalsContact ND1-N 3.2Å; H324-Y326 PolarHBondContact O-N 3.3Å
327	I	98.5	Very high	97.1	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-112.7	-37	-175.2	-60.9	-59.7	0	0	0	111.5	L137 Y138 L141 L303 L322 H324 P325 V329 W330	L137-I327 HydrophobicContact CB-CD1 3.62Å; L137-I327 HydrophobicContact CD1-CD1 4.24Å; Y138-I327 HydrophobicContact CD2-CG2 3.99Å; Y138-I327 HydrophobicContact CG-CG2 4.5Å; L141-I327 HydrophobicContact CD1-CD1 4.37Å; L141-I327 HydrophobicContact CD1-CG1 4.11Å; L141-I327 HydrophobicContact CD1-CG2 4.06Å; L303-I327 HydrophobicContact CD2-CD1 3.89Å; L303-I327 HydrophobicContact CD2-CG1 3.59Å; L322-I327 HydrophobicContact CD2-CG2 4.3Å; H324-I327 PolarHBondContact O-N 2.65Å; P325-I327 VanDerWaalsContact C-N 3.26Å; P325-I327 PolarHBondContact O-N 2.92Å; I327-V329 PolarHBondContact O-N 2.91Å; I327-W330 PolarHBondContact O-N 3.43Å; I327-W330 VanDerWaalsContact O-N 3.15Å
328	H	97.7	Very high	96.7	Very high	86 Å²	86	47.8 Å²	47.8	40%	0.398	25%	0.251	S	S	.	.	H	α-helix	trans	-61.6	-17.4	-169.2	-167.8	69.5	0	0	0	114.4	H324 W330 Y331	H324-H328 WeakPolarHBondContact O-CB 3.4Å; H324-H328 PolarHBondContact O-N 2.87Å; H328-W330 PolarHBondContact O-N 3.34Å; H328-W330 VanDerWaalsContact O-N 3.12Å; H328-Y331 AromaticContact CE1-CD2 3.9Å; H328-Y331 AromaticContact CE1-CG 3.66Å; H328-Y331 AromaticContact ND1-CD2 3.58Å; H328-Y331 AromaticContact ND1-CG 3.64Å; H328-Y331 WeakPolarHBondContact O-CB 3.38Å; H328-Y331 PolarHBondContact O-N 3.15Å
329	V	97.4	Very high	96.3	Very high	47 Å²	47	52.6 Å²	52.6	29%	0.285	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-24.3	175.2	-58.4	0	0	0	0	113.1	H292 T294 L295 I327	H292-V329 HydrophobicContact CB-CG1 4.34Å; T294-V329 VanDerWaalsContact OG1-CG1 3.29Å; T294-V329 WeakPolarHBondContact OG1-CG1 3.48Å; L295-V329 HydrophobicContact CD1-CG2 4.19Å; L295-V329 HydrophobicContact CD2-CG2 4Å; L295-V329 HydrophobicContact CG-CG2 4.28Å; I327-V329 PolarHBondContact O-N 2.91Å
330	W	97.4	Very high	95.7	Very high	68 Å²	68	52.1 Å²	52.1	26%	0.258	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	1.7	178.1	-47.8	112.7	0	0	0	113.6	E131 S134 Y135 Y138 L295 I327 H328 E332	E131-W330 HydrophobicContact CB-CZ2 4.29Å; S134-W330 VanDerWaalsContact OG-CD1 3.32Å; S134-W330 PolarHBondContact OG-NE1 3.24Å; Y135-W330 HydrophobicContact CD2-CB 4.4Å; Y135-W330 AromaticContact CD2-CD2 3.84Å; Y135-W330 HydrophobicContact CD2-CD2 3.84Å; Y135-W330 HydrophobicContact CD2-CE3 4.15Å; Y135-W330 AromaticContact CD2-CG 3.94Å; Y135-W330 HydrophobicContact CD2-CG 3.94Å; Y135-W330 HydrophobicContact CG-CD2 4.5Å; Y138-W330 HydrophobicContact CD1-CB 3.66Å; Y138-W330 HydrophobicContact CD1-CG 4.42Å; Y138-W330 HydrophobicContact CD2-CB 3.93Å; Y138-W330 HydrophobicContact CE1-CB 4.02Å; Y138-W330 HydrophobicContact CE2-CB 4.26Å; Y138-W330 WeakPolarHBondContact CE2-O 3.28Å; Y138-W330 HydrophobicContact CG-CB 3.61Å; Y138-W330 HydrophobicContact CG-CG 4.29Å; Y138-W330 PolarHBondContact OH-O 3.31Å; L295-W330 HydrophobicContact CD1-CZ2 4.13Å; I327-W330 PolarHBondContact O-N 3.43Å; I327-W330 VanDerWaalsContact O-N 3.15Å; H328-W330 PolarHBondContact O-N 3.34Å; H328-W330 VanDerWaalsContact O-N 3.12Å; W330-E332 PolarHBondContact O-N 2.86Å; W330-E332 VanDerWaalsContact O-N 3.11Å
331	Y	97.3	Very high	94.7	Very high	54 Å²	54	48.6 Å²	48.6	21%	0.212	27%	0.266	C	S	.	.			trans	-62.6	115.9	-168.4	-171.5	-78.2	0	0	0	111.6	L322 H323 H328 D333 V336 N337	L322-Y331 HydrophobicContact CB-CE2 4.44Å; H323-Y331 AromaticContact CE1-CE2 3.76Å; H323-Y331 AromaticContact NE2-CE2 3.75Å; H323-Y331 AromaticContact NE2-CZ 3.97Å; H328-Y331 AromaticContact CE1-CD2 3.9Å; H328-Y331 AromaticContact CE1-CG 3.66Å; H328-Y331 AromaticContact ND1-CD2 3.58Å; H328-Y331 AromaticContact ND1-CG 3.64Å; H328-Y331 WeakPolarHBondContact O-CB 3.38Å; H328-Y331 PolarHBondContact O-N 3.15Å; Y331-D333 HydrophobicContact CE1-CB 4.14Å; Y331-V336 HydrophobicContact CD2-CG2 3.93Å; Y331-V336 HydrophobicContact CE2-CB 4.11Å; Y331-V336 HydrophobicContact CE2-CG1 3.73Å; Y331-V336 HydrophobicContact CE2-CG2 3.8Å; Y331-V336 HydrophobicContact CG-CG2 4.36Å; Y331-N337 PolarHBondContact OH-ND2 2.72Å
332	E	96.5	Very high	93.6	Very high	96 Å²	96	52 Å²	52	45%	0.449	29%	0.294	S	S	.	.			trans	-118.5	116.6	169.5	-168.9	177.6	166	0	0	109.9	Y138 W330 S334 E335 V336	Y138-E332 PolarHBondContact OH-N 3.17Å; W330-E332 PolarHBondContact O-N 2.86Å; W330-E332 VanDerWaalsContact O-N 3.11Å; E332-S334 PolarHBondContact O-N 3.04Å; E332-S334 PolarHBondContact OE1-OG 2.7Å; E332-E335 HydrophobicContact CB-CB 4.29Å; E332-E335 HydrophobicContact CB-CG 4.05Å; E332-E335 HydrophobicContact CG-CG 4.24Å; E332-E335 PolarHBondContact O-N 2.78Å; E332-V336 WeakPolarHBondContact O-CB 3.37Å; E332-V336 WeakPolarHBondContact O-CG2 3.49Å; E332-V336 PolarHBondContact O-N 2.87Å
333	D	95.3	Very high	92.3	Very high	99 Å²	99	57.4 Å²	57.4	53%	0.529	33%	0.329	S	S	.	.	H	α-helix	trans	-58	-36.6	-176.1	-170.7	67.1	0	0	0	112.8	Y331 E335 N337	Y331-D333 HydrophobicContact CE1-CB 4.14Å; D333-E335 VanDerWaalsContact C-N 3.27Å; D333-E335 PolarHBondContact O-N 2.69Å; D333-N337 WeakPolarHBondContact O-CB 3.49Å; D333-N337 PolarHBondContact O-N 3.43Å; D333-N337 PolarHBondContact OD1-ND2 2.94Å
334	S	93.5	Very high	91	Very high	77 Å²	77	53.8 Å²	53.8	54%	0.538	31%	0.311	S	S	.	.	H	α-helix	trans	-64	-32.1	179.3	83.4	0	0	0	0	112.7	E332 A338	E332-S334 PolarHBondContact O-N 3.04Å; E332-S334 PolarHBondContact OE1-OG 2.7Å; S334-A338 PolarHBondContact O-N 3.36Å
335	E	93.3	Very high	89.7	Confident	28 Å²	28	58.3 Å²	58.3	13%	0.131	34%	0.336	C	S	.	.	H	α-helix	trans	-85.9	-50.6	177.9	-61.3	-167.6	149.8	0	0	110.6	H87 K88 Y138 E332 D333 N337 A338	H87-E335 PolarHBondContact NE2-O 3.25Å; K88-E335 WeakPolarHBondContact CD-OE1 3.34Å; K88-E335 IonicContact NZ-OE1 3.5Å; K88-E335 PolarHBondContact NZ-OE1 3.47Å; Y138-E335 PolarHBondContact OH-OE2 3.3Å; E332-E335 HydrophobicContact CB-CB 4.29Å; E332-E335 HydrophobicContact CB-CG 4.05Å; E332-E335 HydrophobicContact CG-CG 4.24Å; E332-E335 PolarHBondContact O-N 2.78Å; D333-E335 VanDerWaalsContact C-N 3.27Å; D333-E335 PolarHBondContact O-N 2.69Å; E335-N337 VanDerWaalsContact C-N 3.3Å; E335-N337 PolarHBondContact O-N 3.31Å; E335-A338 WeakPolarHBondContact O-CB 3.46Å; E335-A338 PolarHBondContact O-N 3.09Å
336	V	95.3	Very high	88.3	Confident	5 Å²	5	56.4 Å²	56.4	3%	0.03	32%	0.322	C	S	.	.	H	α-helix	trans	-60.9	-39.1	-176.8	168.2	0	0	0	0	111.9	Y138 K145 L322 Y331 E332	Y138-V336 HydrophobicContact CE2-CG2 3.92Å; K145-V336 HydrophobicContact CD-CG1 3.96Å; K145-V336 WeakPolarHBondContact CD-O 3.21Å; K145-V336 VanDerWaalsContact CE-O 3.24Å; K145-V336 WeakPolarHBondContact CE-O 3.41Å; L322-V336 HydrophobicContact CD1-CG1 3.91Å; L322-V336 HydrophobicContact CD2-CG2 4.39Å; Y331-V336 HydrophobicContact CD2-CG2 3.93Å; Y331-V336 HydrophobicContact CE2-CB 4.11Å; Y331-V336 HydrophobicContact CE2-CG1 3.73Å; Y331-V336 HydrophobicContact CE2-CG2 3.8Å; Y331-V336 HydrophobicContact CG-CG2 4.36Å; E332-V336 WeakPolarHBondContact O-CB 3.37Å; E332-V336 WeakPolarHBondContact O-CG2 3.49Å; E332-V336 PolarHBondContact O-N 2.87Å
337	N	93.8	Very high	86.7	Confident	77 Å²	77	58.1 Å²	58.1	41%	0.412	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.4	24.3	-178.2	-62.4	-49.5	0	0	0	112.2	K145 Y331 D333 E335	K145-N337 WeakPolarHBondContact CE-OD1 3.15Å; K145-N337 PolarHBondContact NZ-OD1 3.2Å; Y331-N337 PolarHBondContact OH-ND2 2.72Å; D333-N337 WeakPolarHBondContact O-CB 3.49Å; D333-N337 PolarHBondContact O-N 3.43Å; D333-N337 PolarHBondContact OD1-ND2 2.94Å; E335-N337 VanDerWaalsContact C-N 3.3Å; E335-N337 PolarHBondContact O-N 3.31Å
338	A	90.7	Very high	85	Confident	25 Å²	25	60.4 Å²	60.4	21%	0.207	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-54.1	129.3	173.1	0	0	0	0	0	110.4	H146 S334 E335	H146-A338 PolarHBondContact ND1-O 3.45Å; S334-A338 PolarHBondContact O-N 3.36Å; E335-A338 WeakPolarHBondContact O-CB 3.46Å; E335-A338 PolarHBondContact O-N 3.09Å
339	P	89	Confident	83.3	Confident	111 Å²	111	56.6 Å²	56.6	72%	0.721	33%	0.328	S	S	*	.	P	Polyproline II helix	trans	-60.6	130.9	-170	23.2	-33.4	0	0	0	110.9	H146	H146-P339 PolarHBondContact CE1-O 2.8Å
340	P	84	Confident	81.6	Confident	60 Å²	60	61.1 Å²	61.1	39%	0.39	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-66.9	156.9	177.3	30	-35.2	0	0	0	110.3	A149 A150	A149-P340 HydrophobicContact CB-CB 3.93Å; A149-P340 HydrophobicContact CB-CG 4.03Å; A150-P340 HydrophobicContact CB-CB 4.11Å
341	P	79.2	Confident	80.4	Confident	25 Å²	25	64 Å²	64	16%	0.162	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-60.3	167.5	166.7	29.6	-37.8	0	0	0	111.3	L84 V85 H146 A150	L84-P341 HydrophobicContact CD1-CB 3.78Å; L84-P341 HydrophobicContact CD1-CG 4.48Å; L84-P341 HydrophobicContact CD2-CG 4.41Å; L84-P341 HydrophobicContact CG-CB 3.72Å; L84-P341 HydrophobicContact CG-CG 3.91Å; L84-P341 VanDerWaalsContact O-CB 3.23Å; L84-P341 WeakPolarHBondContact O-CB 3.2Å; V85-P341 HydrophobicContact CG2-CG 4.43Å; H146-P341 WeakPolarHBondContact NE2-CD 3.5Å; A150-P341 HydrophobicContact CB-CG 3.83Å
342	A	75.4	Confident	79.7	Confident	72 Å²	72	69.6 Å²	69.6	60%	0.595	39%	0.391	S	S	*	.	S	Bend	trans	-52.5	140.2	169.9	0	0	0	0	0	109.8	Y344	A342-Y344 PolarHBondContact O-N 3.5Å
343	P	71.3	Confident	79.3	Confident	112 Å²	112	66 Å²	66	73%	0.727	37%	0.374	S	S	*	.	P	Polyproline II helix	trans	-50.3	133.2	-177.6	-28.5	34.4	0	0	0	111.6	D345	P343-D345 PolarHBondContact O-N 3.2Å; P343-D345 VanDerWaalsContact O-N 3.13Å
344	Y	70.9	Confident	79.2	Confident	21 Å²	21	63.3 Å²	63.3	8%	0.082	36%	0.364	C	S	.	.			trans	-65	113.6	176.5	175.7	-119.1	0	0	0	109.9	V80 L81 L84 T180 A342 D346	V80-Y344 HydrophobicContact CB-CE2 4.26Å; V80-Y344 HydrophobicContact CG1-CD2 4.19Å; V80-Y344 HydrophobicContact CG1-CE2 3.59Å; L81-Y344 HydrophobicContact CD2-CD1 3.73Å; L81-Y344 HydrophobicContact CD2-CD2 3.66Å; L81-Y344 HydrophobicContact CD2-CE1 4Å; L81-Y344 HydrophobicContact CD2-CE2 3.96Å; L81-Y344 HydrophobicContact CD2-CG 3.54Å; L84-Y344 HydrophobicContact CD2-CD2 4.09Å; L84-Y344 HydrophobicContact CD2-CG 4.3Å; T180-Y344 WeakPolarHBondContact OG1-CD1 3.48Å; A342-Y344 PolarHBondContact O-N 3.5Å; Y344-D346 HydrophobicContact CD1-CB 3.9Å; Y344-D346 HydrophobicContact CE1-CB 3.54Å; Y344-D346 PolarHBondContact O-N 3.43Å; Y344-D346 VanDerWaalsContact O-N 3.08Å; Y344-D346 PolarHBondContact OH-OD1 3.21Å
345	D	71.1	Confident	79.3	Confident	104 Å²	104	60.9 Å²	60.9	56%	0.556	35%	0.345	S	S	*	.			trans	-75.7	93	172.7	-178.3	15.2	0	0	0	110.2	P343 S347	P343-D345 PolarHBondContact O-N 3.2Å; P343-D345 VanDerWaalsContact O-N 3.13Å; D345-S347 VanDerWaalsContact CG-OG 3.23Å; D345-S347 PolarHBondContact O-N 3.05Å; D345-S347 WeakPolarHBondContact OD1-CB 3.43Å; D345-S347 PolarHBondContact OD1-N 3.27Å; D345-S347 PolarHBondContact OD1-OG 3.31Å; D345-S347 PolarHBondContact OD2-OG 2.96Å
346	D	68.5	Low	79.3	Confident	16 Å²	16	65.7 Å²	65.7	9%	0.086	37%	0.368	C	S	.	.	G	3₁₀ helix	trans	-81.5	18.9	173.4	-152.9	14.4	0	0	0	112.7	R77 T180 Y344 F348 G349 E350	R77-D346 IonicContact CZ-OD2 3.58Å; R77-D346 IonicContact NE-OD2 3.88Å; R77-D346 IonicContact NH2-OD1 3.83Å; R77-D346 IonicContact NH2-OD2 3.61Å; R77-D346 PolarHBondContact NH2-OD2 2.89Å; T180-D346 WeakPolarHBondContact OG1-CB 3.39Å; Y344-D346 HydrophobicContact CD1-CB 3.9Å; Y344-D346 HydrophobicContact CE1-CB 3.54Å; Y344-D346 PolarHBondContact O-N 3.43Å; Y344-D346 VanDerWaalsContact O-N 3.08Å; Y344-D346 PolarHBondContact OH-OD1 3.21Å; D346-F348 PolarHBondContact O-N 2.75Å; D346-G349 WeakPolarHBondContact O-CA 3.46Å; D346-G349 PolarHBondContact O-N 2.7Å; D346-G349 WeakPolarHBondContact OD1-CA 3.43Å; D346-G349 PolarHBondContact OD1-N 3.14Å; D346-G349 VanDerWaalsContact OD1-N 3.14Å; D346-E350 PolarHBondContact O-N 3.35Å
347	S	65.4	Low	79.3	Confident	38 Å²	38	70 Å²	70	27%	0.266	39%	0.388	S	S	.	.	G	3₁₀ helix	trans	-57.2	-18.9	175.3	67.7	0	0	0	0	113.5	D345 R351	D345-S347 VanDerWaalsContact CG-OG 3.23Å; D345-S347 PolarHBondContact O-N 3.05Å; D345-S347 WeakPolarHBondContact OD1-CB 3.43Å; D345-S347 PolarHBondContact OD1-N 3.27Å; D345-S347 PolarHBondContact OD1-OG 3.31Å; D345-S347 PolarHBondContact OD2-OG 2.96Å; S347-R351 WeakPolarHBondContact O-CG 3.09Å; S347-R351 PolarHBondContact O-NE 3.04Å
348	F	62	Low	79.3	Confident	48 Å²	48	66.4 Å²	66.4	21%	0.211	37%	0.368	C	S	.	.	G	3₁₀ helix	trans	-82.8	-34.6	170	-69.6	-66.7	0	0	0	113.2	D346 E350 R351 W358 R361	D346-F348 PolarHBondContact O-N 2.75Å; F348-E350 PolarHBondContact O-N 3.11Å; F348-R351 PolarHBondContact O-N 2.96Å; F348-R351 VanDerWaalsContact O-N 3.1Å; F348-W358 HydrophobicContact CB-CH2 4.14Å; F348-W358 HydrophobicContact CB-CZ3 4.4Å; F348-W358 WeakPolarHBondContact O-CH2 3.31Å; F348-R361 VanDerWaalsContact CD1-CZ 3.43Å; F348-R361 VanDerWaalsContact CE1-NH2 3.26Å; F348-R361 VanDerWaalsContact CZ-NH1 3.34Å
349	G	61.2	Low	79.5	Confident	5 Å²	5	67 Å²	67	5%	0.052	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-33.2	177.7	0	0	0	0	0	112.5	K73 D346 R351	K73-G349 VanDerWaalsContact CE-O 3.25Å; K73-G349 WeakPolarHBondContact CE-O 3.36Å; K73-G349 PolarHBondContact NZ-O 3.13Å; D346-G349 WeakPolarHBondContact O-CA 3.46Å; D346-G349 PolarHBondContact O-N 2.7Å; D346-G349 WeakPolarHBondContact OD1-CA 3.43Å; D346-G349 PolarHBondContact OD1-N 3.14Å; D346-G349 VanDerWaalsContact OD1-N 3.14Å; G349-R351 PolarHBondContact O-N 3.43Å
350	E	62.4	Low	79.9	Confident	142 Å²	142	63.4 Å²	63.4	66%	0.664	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-16.9	177.6	-64.7	-172.9	168.2	0	0	113.7	D346 F348	D346-E350 PolarHBondContact O-N 3.35Å; F348-E350 PolarHBondContact O-N 3.11Å
351	R	72.6	Confident	80.3	Confident	129 Å²	129	64.1 Å²	64.1	49%	0.487	34%	0.341	S	S	.	.	S	Bend	trans	-80.8	135.1	-178.1	-61.5	-179	-164.5	-161.7	3.1	111.2	S347 F348 G349 L353	S347-R351 WeakPolarHBondContact O-CG 3.09Å; S347-R351 PolarHBondContact O-NE 3.04Å; F348-R351 PolarHBondContact O-N 2.96Å; F348-R351 VanDerWaalsContact O-N 3.1Å; G349-R351 PolarHBondContact O-N 3.43Å; R351-L353 HydrophobicContact CB-CD2 4.02Å; R351-L353 HydrophobicContact CB-CG 3.88Å; R351-L353 PolarHBondContact O-N 3.32Å
352	N	81.6	Confident	81	Confident	172 Å²	172	63 Å²	63	92%	0.92	33%	0.333	S	S	*	.			trans	-76.2	70.4	170.7	-72.5	-34.6	0	0	0	110.6
353	L	88.9	Confident	82	Confident	19 Å²	19	61 Å²	61	10%	0.099	31%	0.311	C	S	.	.			trans	-82.3	147.4	177.7	-58.5	179.4	0	0	0	112	V69 R351 E357 W358	V69-L353 WeakPolarHBondContact CG1-O 3.25Å; R351-L353 HydrophobicContact CB-CD2 4.02Å; R351-L353 HydrophobicContact CB-CG 3.88Å; R351-L353 PolarHBondContact O-N 3.32Å; L353-E357 WeakPolarHBondContact CA-OE2 3.47Å; L353-E357 HydrophobicContact CB-CB 4.01Å; L353-E357 HydrophobicContact CD2-CB 4.43Å; L353-W358 HydrophobicContact CB-CD2 4.32Å; L353-W358 HydrophobicContact CB-CG 4.39Å; L353-W358 HydrophobicContact CB-CZ2 4.22Å; L353-W358 HydrophobicContact CD1-CD2 4.1Å; L353-W358 HydrophobicContact CD1-CE3 4.18Å; L353-W358 HydrophobicContact CD1-CH2 3.92Å; L353-W358 HydrophobicContact CD1-CZ2 3.84Å; L353-W358 HydrophobicContact CD1-CZ3 4.07Å; L353-W358 HydrophobicContact CG-CZ2 4.27Å
354	S	93.7	Very high	83.1	Confident	43 Å²	43	61.2 Å²	61.2	30%	0.301	30%	0.303	S	S	.	.			trans	-71.2	168.4	172.5	96.2	0	0	0	0	112.1	E356 E357 W358	S354-E356 VanDerWaalsContact C-N 3.27Å; S354-E356 WeakPolarHBondContact CB-OE2 3.21Å; S354-E356 PolarHBondContact O-N 2.96Å; S354-E356 PolarHBondContact OG-N 3.08Å; S354-E356 PolarHBondContact OG-OE2 2.83Å; S354-E357 PolarHBondContact N-OE2 2.85Å; S354-E357 PolarHBondContact O-N 3.49Å; S354-E357 PolarHBondContact OG-N 2.62Å; S354-W358 PolarHBondContact O-N 3.45Å; S354-W358 VanDerWaalsContact O-N 3.08Å
355	V	94.1	Very high	84.2	Confident	26 Å²	26	62 Å²	62	16%	0.158	31%	0.307	C	S	.	.	H	α-helix	trans	-60.1	-41.4	175	175	0	0	0	0	110.9	F66 V69 W358 K359	F66-V355 HydrophobicContact CB-CG1 3.89Å; F66-V355 VanDerWaalsContact O-CG1 3.31Å; F66-V355 WeakPolarHBondContact O-CG1 3.47Å; V69-V355 HydrophobicContact CG2-CG2 3.81Å; V355-W358 PolarHBondContact O-N 3.22Å; V355-K359 WeakPolarHBondContact O-CB 3.16Å; V355-K359 PolarHBondContact O-N 2.71Å
356	E	94.8	Very high	85.3	Confident	130 Å²	130	57 Å²	57	61%	0.607	28%	0.281	S	S	*	.	H	α-helix	trans	-65.9	-39.1	-179.1	-62.4	68.6	-150.5	0	0	111.4	S354 K359 A360	S354-E356 VanDerWaalsContact C-N 3.27Å; S354-E356 WeakPolarHBondContact CB-OE2 3.21Å; S354-E356 PolarHBondContact O-N 2.96Å; S354-E356 PolarHBondContact OG-N 3.08Å; S354-E356 PolarHBondContact OG-OE2 2.83Å; E356-K359 PolarHBondContact O-N 2.96Å; E356-A360 WeakPolarHBondContact O-CB 3.49Å; E356-A360 PolarHBondContact O-N 3.47Å
357	E	94.6	Very high	86.5	Confident	94 Å²	94	58.4 Å²	58.4	44%	0.439	29%	0.286	S	S	.	.	H	α-helix	trans	-67	-44.6	176	-68.3	178.6	127.9	0	0	111.6	L353 S354 A360 R361	L353-E357 WeakPolarHBondContact CA-OE2 3.47Å; L353-E357 HydrophobicContact CB-CB 4.01Å; L353-E357 HydrophobicContact CD2-CB 4.43Å; S354-E357 PolarHBondContact N-OE2 2.85Å; S354-E357 PolarHBondContact O-N 3.49Å; S354-E357 PolarHBondContact OG-N 2.62Å; E357-A360 PolarHBondContact O-N 3.19Å; E357-R361 WeakPolarHBondContact O-CG 3.28Å; E357-R361 PolarHBondContact O-N 2.91Å; E357-R361 VanDerWaalsContact O-N 3.13Å
358	W	94.1	Very high	87.8	Confident	2 Å²	2	60 Å²	60	1%	0.008	29%	0.289	C	S	.	.	H	α-helix	trans	-62.2	-43.8	172.7	-76.9	118.8	0	0	0	111.9	A72 K73 Y76 F348 L353 S354 V355 A360 R361 I362	A72-W358 HydrophobicContact CB-CB 3.56Å; A72-W358 HydrophobicContact CB-CG 4.05Å; K73-W358 HydrophobicContact CB-CD2 4.46Å; K73-W358 HydrophobicContact CB-CZ2 4.22Å; K73-W358 HydrophobicContact CD-CZ2 4.13Å; K73-W358 HydrophobicContact CG-CH2 4.31Å; K73-W358 HydrophobicContact CG-CZ2 3.87Å; Y76-W358 AromaticContact CD1-CE3 3.9Å; Y76-W358 HydrophobicContact CD1-CE3 3.9Å; Y76-W358 HydrophobicContact CD1-CH2 4.22Å; Y76-W358 AromaticContact CD1-CZ3 3.3Å; Y76-W358 HydrophobicContact CD1-CZ3 3.3Å; Y76-W358 HydrophobicContact CD2-CE3 4.39Å; Y76-W358 HydrophobicContact CD2-CZ3 4.45Å; Y76-W358 AromaticContact CE1-CZ3 3.71Å; Y76-W358 HydrophobicContact CE1-CZ3 3.71Å; Y76-W358 AromaticContact CG-CE3 3.78Å; Y76-W358 HydrophobicContact CG-CE3 3.78Å; Y76-W358 AromaticContact CG-CZ3 3.7Å; Y76-W358 HydrophobicContact CG-CZ3 3.7Å; F348-W358 HydrophobicContact CB-CH2 4.14Å; F348-W358 HydrophobicContact CB-CZ3 4.4Å; F348-W358 WeakPolarHBondContact O-CH2 3.31Å; L353-W358 HydrophobicContact CB-CD2 4.32Å; L353-W358 HydrophobicContact CB-CG 4.39Å; L353-W358 HydrophobicContact CB-CZ2 4.22Å; L353-W358 HydrophobicContact CD1-CD2 4.1Å; L353-W358 HydrophobicContact CD1-CE3 4.18Å; L353-W358 HydrophobicContact CD1-CH2 3.92Å; L353-W358 HydrophobicContact CD1-CZ2 3.84Å; L353-W358 HydrophobicContact CD1-CZ3 4.07Å; L353-W358 HydrophobicContact CG-CZ2 4.27Å; S354-W358 PolarHBondContact O-N 3.45Å; S354-W358 VanDerWaalsContact O-N 3.08Å; V355-W358 PolarHBondContact O-N 3.22Å; W358-A360 VanDerWaalsContact C-N 3.32Å; W358-A360 PolarHBondContact O-N 2.88Å; W358-R361 PolarHBondContact O-N 3.37Å; W358-I362 WeakPolarHBondContact O-CG1 3.2Å; W358-I362 PolarHBondContact O-N 2.94Å
359	K	95.5	Very high	89.2	Confident	37 Å²	37	58.8 Å²	58.8	16%	0.161	28%	0.284	C	S	.	.	H	α-helix	trans	-59.5	-42.8	177.6	179.8	177.4	160.5	173.4	0	111.4	F66 L103 Q104 F106 V355 E356 I362 F363	F66-K359 HydrophobicContact CD1-CB 3.7Å; F66-K359 HydrophobicContact CD1-CD 4.37Å; F66-K359 HydrophobicContact CD1-CG 3.91Å; F66-K359 HydrophobicContact CD2-CD 4.06Å; F66-K359 HydrophobicContact CD2-CG 4.19Å; F66-K359 HydrophobicContact CE1-CB 3.84Å; F66-K359 HydrophobicContact CE1-CG 3.86Å; F66-K359 HydrophobicContact CE2-CD 4.39Å; F66-K359 HydrophobicContact CE2-CG 4.14Å; F66-K359 HydrophobicContact CG-CB 4.23Å; F66-K359 HydrophobicContact CG-CD 4.07Å; F66-K359 HydrophobicContact CG-CG 4.09Å; F66-K359 HydrophobicContact CZ-CB 4.48Å; F66-K359 HydrophobicContact CZ-CG 4Å; L103-K359 HydrophobicContact CD1-CG 3.97Å; L103-K359 WeakPolarHBondContact O-CE 3.23Å; L103-K359 PolarHBondContact O-NZ 2.81Å; L103-K359 VanDerWaalsContact O-NZ 3.11Å; Q104-K359 PolarHBondContact O-NZ 3.11Å; F106-K359 HydrophobicContact CD1-CD 4.48Å; F106-K359 HydrophobicContact CD1-CG 3.7Å; F106-K359 HydrophobicContact CE1-CG 4.29Å; F106-K359 WeakPolarHBondContact O-CE 3.49Å; F106-K359 PolarHBondContact O-NZ 2.84Å; V355-K359 WeakPolarHBondContact O-CB 3.16Å; V355-K359 PolarHBondContact O-N 2.71Å; E356-K359 PolarHBondContact O-N 2.96Å; K359-I362 PolarHBondContact O-N 2.91Å; K359-F363 WeakPolarHBondContact O-CB 3.4Å; K359-F363 PolarHBondContact O-N 3.46Å
360	A	95.6	Very high	90.5	Very high	36 Å²	36	60.6 Å²	60.6	30%	0.298	29%	0.291	S	S	.	.	H	α-helix	trans	-61.3	-43.1	175.7	0	0	0	0	0	112.4	L103 E356 E357 W358 F363 H364	L103-A360 HydrophobicContact CD1-CB 4.26Å; L103-A360 HydrophobicContact CD2-CB 3.8Å; E356-A360 WeakPolarHBondContact O-CB 3.49Å; E356-A360 PolarHBondContact O-N 3.47Å; E357-A360 PolarHBondContact O-N 3.19Å; W358-A360 VanDerWaalsContact C-N 3.32Å; W358-A360 PolarHBondContact O-N 2.88Å; A360-F363 PolarHBondContact O-N 2.79Å; A360-H364 PolarHBondContact O-N 3.19Å
361	R	93.7	Very high	91.8	Very high	75 Å²	75	56.4 Å²	56.4	28%	0.283	28%	0.28	S	S	.	.	H	α-helix	trans	-64.7	-47.7	177.4	-70.3	175.6	-179.5	-74.4	-7.2	112.3	Y76 F348 E357 W358 F363 H364 E365	Y76-R361 HydrophobicContact CD2-CB 4.1Å; Y76-R361 HydrophobicContact CE2-CB 3.88Å; F348-R361 VanDerWaalsContact CD1-CZ 3.43Å; F348-R361 VanDerWaalsContact CE1-NH2 3.26Å; F348-R361 VanDerWaalsContact CZ-NH1 3.34Å; E357-R361 WeakPolarHBondContact O-CG 3.28Å; E357-R361 PolarHBondContact O-N 2.91Å; E357-R361 VanDerWaalsContact O-N 3.13Å; W358-R361 PolarHBondContact O-N 3.37Å; R361-F363 VanDerWaalsContact C-N 3.29Å; R361-F363 PolarHBondContact O-N 3.46Å; R361-H364 PolarHBondContact O-N 3.17Å; R361-E365 WeakPolarHBondContact O-CG 3.27Å; R361-E365 PolarHBondContact O-N 3.35Å
362	I	94.4	Very high	92.4	Very high	1 Å²	1	54.5 Å²	54.5	1%	0.005	28%	0.277	C	S	.	.	H	α-helix	trans	-61.3	-43.3	177.8	-63.8	163	0	0	0	109.9	F66 A72 A75 Y76 F106 V109 W358 K359 H364 E365 V366	F66-I362 HydrophobicContact CE1-CB 4.48Å; F66-I362 HydrophobicContact CE1-CD1 3.67Å; F66-I362 HydrophobicContact CZ-CD1 4.49Å; A72-I362 WeakPolarHBondContact O-CD1 3.3Å; A75-I362 HydrophobicContact CB-CD1 3.97Å; Y76-I362 HydrophobicContact CD2-CG1 3.78Å; Y76-I362 HydrophobicContact CG-CG1 4.22Å; F106-I362 HydrophobicContact CE1-CB 4.15Å; F106-I362 HydrophobicContact CE1-CG2 3.99Å; F106-I362 HydrophobicContact CZ-CB 4.47Å; F106-I362 HydrophobicContact CZ-CG2 3.81Å; V109-I362 HydrophobicContact CG2-CG2 4.02Å; W358-I362 WeakPolarHBondContact O-CG1 3.2Å; W358-I362 PolarHBondContact O-N 2.94Å; K359-I362 PolarHBondContact O-N 2.91Å; I362-H364 VanDerWaalsContact C-N 3.35Å; I362-H364 PolarHBondContact O-N 3.02Å; I362-E365 PolarHBondContact O-N 2.83Å; I362-V366 HydrophobicContact CG2-CG2 4.21Å; I362-V366 WeakPolarHBondContact O-CB 3.41Å; I362-V366 VanDerWaalsContact O-CG2 3.28Å; I362-V366 WeakPolarHBondContact O-CG2 3.36Å; I362-V366 PolarHBondContact O-N 3.05Å
363	F	96	Very high	92.2	Very high	30 Å²	30	48 Å²	48	13%	0.132	24%	0.241	C	C	.	.	H	α-helix	trans	-59.2	-47	177.5	-173.5	-105.6	0	0	0	111.5	T98 L103 F106 K359 A360 R361 V366 K367	T98-F363 HydrophobicContact CG2-CD2 4.5Å; T98-F363 HydrophobicContact CG2-CE2 4.31Å; L103-F363 HydrophobicContact CB-CD1 4.12Å; L103-F363 HydrophobicContact CB-CE1 4.33Å; L103-F363 HydrophobicContact CB-CG 4.47Å; L103-F363 HydrophobicContact CD1-CB 3.78Å; L103-F363 HydrophobicContact CD1-CD1 4.36Å; L103-F363 HydrophobicContact CD1-CG 4.08Å; F106-F363 HydrophobicContact CB-CD2 3.73Å; F106-F363 HydrophobicContact CB-CE2 4.13Å; F106-F363 HydrophobicContact CD1-CB 3.61Å; F106-F363 AromaticContact CD1-CD2 3.68Å; F106-F363 HydrophobicContact CD1-CD2 3.68Å; F106-F363 HydrophobicContact CD1-CG 4.07Å; F106-F363 AromaticContact CD2-CD2 3.81Å; F106-F363 HydrophobicContact CD2-CD2 3.81Å; F106-F363 HydrophobicContact CD2-CE2 4.4Å; F106-F363 HydrophobicContact CE1-CB 3.63Å; F106-F363 HydrophobicContact CE1-CD2 4.12Å; F106-F363 HydrophobicContact CE1-CG 4.39Å; F106-F363 HydrophobicContact CE2-CD2 4.25Å; F106-F363 HydrophobicContact CG-CB 4.32Å; F106-F363 AromaticContact CG-CD2 3.49Å; F106-F363 HydrophobicContact CG-CD2 3.49Å; F106-F363 VanDerWaalsContact CG-CD2 3.49Å; F106-F363 HydrophobicContact CG-CE2 4.25Å; F106-F363 HydrophobicContact CG-CG 4.31Å; F106-F363 HydrophobicContact CZ-CB 4.38Å; F106-F363 HydrophobicContact CZ-CD2 4.37Å; K359-F363 WeakPolarHBondContact O-CB 3.4Å; K359-F363 PolarHBondContact O-N 3.46Å; A360-F363 PolarHBondContact O-N 2.79Å; R361-F363 VanDerWaalsContact C-N 3.29Å; R361-F363 PolarHBondContact O-N 3.46Å; F363-V366 PolarHBondContact O-N 3.15Å; F363-K367 HydrophobicContact CD1-CG 4.19Å; F363-K367 HydrophobicContact CD2-CG 4.44Å; F363-K367 HydrophobicContact CE1-CG 3.83Å; F363-K367 HydrophobicContact CE2-CD 4.35Å; F363-K367 VanDerWaalsContact CE2-CE 3.45Å; F363-K367 HydrophobicContact CE2-CG 4.13Å; F363-K367 HydrophobicContact CG-CG 4.49Å; F363-K367 HydrophobicContact CZ-CD 4.21Å; F363-K367 VanDerWaalsContact CZ-CE 3.47Å; F363-K367 HydrophobicContact CZ-CG 3.81Å; F363-K367 WeakPolarHBondContact O-CB 3.29Å; F363-K367 WeakPolarHBondContact O-CG 3.18Å; F363-K367 PolarHBondContact O-N 3.02Å
364	H	94.5	Very high	91.5	Very high	117 Å²	117	50 Å²	50	54%	0.542	26%	0.256	S	S	.	.	H	α-helix	trans	-58.1	-51.9	177.2	-178.6	-80.2	0	0	0	111.7	A360 R361 I362 V366 K367 E368	A360-H364 PolarHBondContact O-N 3.19Å; R361-H364 PolarHBondContact O-N 3.17Å; I362-H364 VanDerWaalsContact C-N 3.35Å; I362-H364 PolarHBondContact O-N 3.02Å; H364-V366 VanDerWaalsContact C-N 3.33Å; H364-V366 PolarHBondContact O-N 3.49Å; H364-K367 PolarHBondContact O-N 3.12Å; H364-E368 IonicContact CE1-OE2 3.77Å; H364-E368 PolarHBondContact CE1-OE2 3.19Å; H364-E368 IonicContact ND1-OE2 2.72Å; H364-E368 WeakPolarHBondContact O-CB 3.16Å; H364-E368 PolarHBondContact O-N 3.13Å
365	E	92.7	Very high	90.3	Very high	38 Å²	38	53.7 Å²	53.7	18%	0.178	27%	0.269	C	S	.	.	H	α-helix	trans	-60.5	-41.1	-180	-69.4	-73.3	165.5	0	0	111.9	Y76 F79 K83 R361 I362 E368 F369	Y76-E365 HydrophobicContact CE2-CG 4.17Å; F79-E365 HydrophobicContact CD1-CB 3.85Å; F79-E365 HydrophobicContact CE1-CB 3.47Å; F79-E365 VanDerWaalsContact CE1-CB 3.47Å; K83-E365 IonicContact NZ-OE2 2.64Å; K83-E365 PolarHBondContact NZ-OE2 2.76Å; R361-E365 WeakPolarHBondContact O-CG 3.27Å; R361-E365 PolarHBondContact O-N 3.35Å; I362-E365 PolarHBondContact O-N 2.83Å; E365-E368 PolarHBondContact O-N 2.91Å; E365-F369 WeakPolarHBondContact O-CB 3.16Å; E365-F369 PolarHBondContact O-N 2.84Å
366	V	94.7	Very high	88.8	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-65.5	-44.1	177.4	170.8	0	0	0	0	110.7	F79 T98 V109 I362 F363 H364 F369 E370	F79-V366 HydrophobicContact CD1-CG2 4.27Å; F79-V366 HydrophobicContact CE1-CG2 3.76Å; F79-V366 HydrophobicContact CZ-CG2 4.03Å; T98-V366 HydrophobicContact CG2-CG1 3.94Å; V109-V366 HydrophobicContact CG1-CG2 4.37Å; I362-V366 HydrophobicContact CG2-CG2 4.21Å; I362-V366 WeakPolarHBondContact O-CB 3.41Å; I362-V366 VanDerWaalsContact O-CG2 3.28Å; I362-V366 WeakPolarHBondContact O-CG2 3.36Å; I362-V366 PolarHBondContact O-N 3.05Å; F363-V366 PolarHBondContact O-N 3.15Å; H364-V366 VanDerWaalsContact C-N 3.33Å; H364-V366 PolarHBondContact O-N 3.49Å; V366-F369 PolarHBondContact O-N 3.4Å; V366-E370 HydrophobicContact CG1-CG 4.46Å; V366-E370 WeakPolarHBondContact O-CG 3.37Å; V366-E370 PolarHBondContact O-N 3Å
367	K	94.2	Very high	87.3	Confident	45 Å²	45	53.1 Å²	53.1	20%	0.196	26%	0.263	C	S	.	.	H	α-helix	trans	-66.8	-36.7	178.1	-68.9	-49.5	-178.6	-174.2	0	112.8	Q100 F363 H364 E370 A371	Q100-K367 WeakPolarHBondContact O-CE 3.03Å; Q100-K367 PolarHBondContact O-NZ 3.34Å; Q100-K367 VanDerWaalsContact O-NZ 3.16Å; F363-K367 HydrophobicContact CD1-CG 4.19Å; F363-K367 HydrophobicContact CD2-CG 4.44Å; F363-K367 HydrophobicContact CE1-CG 3.83Å; F363-K367 HydrophobicContact CE2-CD 4.35Å; F363-K367 VanDerWaalsContact CE2-CE 3.45Å; F363-K367 HydrophobicContact CE2-CG 4.13Å; F363-K367 HydrophobicContact CG-CG 4.49Å; F363-K367 HydrophobicContact CZ-CD 4.21Å; F363-K367 VanDerWaalsContact CZ-CE 3.47Å; F363-K367 HydrophobicContact CZ-CG 3.81Å; F363-K367 WeakPolarHBondContact O-CB 3.29Å; F363-K367 WeakPolarHBondContact O-CG 3.18Å; F363-K367 PolarHBondContact O-N 3.02Å; H364-K367 PolarHBondContact O-N 3.12Å; K367-E370 WeakPolarHBondContact CD-OE2 3.42Å; K367-E370 IonicContact NZ-OE1 2.8Å; K367-E370 IonicContact NZ-OE2 3.82Å; K367-E370 PolarHBondContact NZ-OE2 2.55Å; K367-A371 WeakPolarHBondContact O-CB 3.29Å; K367-A371 PolarHBondContact O-N 3.11Å
368	E	92	Very high	85.7	Confident	70 Å²	70	54.3 Å²	54.3	33%	0.327	27%	0.273	S	S	.	.	H	α-helix	trans	-63.9	-44	173.3	-168.9	-172.2	142	0	0	111.1	K83 H364 E365 A371 Q372	K83-E368 IonicContact NZ-OE1 2.76Å; H364-E368 IonicContact CE1-OE2 3.77Å; H364-E368 PolarHBondContact CE1-OE2 3.19Å; H364-E368 IonicContact ND1-OE2 2.72Å; H364-E368 WeakPolarHBondContact O-CB 3.16Å; H364-E368 PolarHBondContact O-N 3.13Å; E365-E368 PolarHBondContact O-N 2.91Å; E368-A371 PolarHBondContact O-N 3.44Å; E368-Q372 WeakPolarHBondContact O-CG 3.49Å; E368-Q372 PolarHBondContact O-N 3.2Å; E368-Q372 PolarHBondContact OE1-NE2 3.06Å
369	F	91.1	Very high	84.1	Confident	24 Å²	24	59.9 Å²	59.9	11%	0.105	30%	0.301	C	S	.	.	H	α-helix	trans	-62.4	-46	176.3	-161.3	-75.5	0	0	0	111.8	F79 K83 L93 A96 E365 V366 A371 Q372 E373	F79-F369 HydrophobicContact CZ-CB 4.09Å; F79-F369 HydrophobicContact CZ-CD2 4.27Å; F79-F369 HydrophobicContact CZ-CG 4.26Å; K83-F369 HydrophobicContact CD-CD2 4.22Å; K83-F369 HydrophobicContact CG-CD2 4.42Å; K83-F369 HydrophobicContact CG-CE2 4.37Å; L93-F369 HydrophobicContact CD2-CD2 4.44Å; L93-F369 HydrophobicContact CD2-CE2 3.84Å; L93-F369 HydrophobicContact CD2-CZ 4.1Å; L93-F369 HydrophobicContact CG-CZ 4.36Å; A96-F369 HydrophobicContact CB-CD1 4.39Å; E365-F369 WeakPolarHBondContact O-CB 3.16Å; E365-F369 PolarHBondContact O-N 2.84Å; V366-F369 PolarHBondContact O-N 3.4Å; F369-A371 VanDerWaalsContact C-N 3.27Å; F369-A371 PolarHBondContact O-N 2.87Å; F369-Q372 PolarHBondContact O-N 2.99Å; F369-E373 HydrophobicContact CD1-CG 4.12Å; F369-E373 HydrophobicContact CE1-CG 3.77Å; F369-E373 PolarHBondContact O-N 3.01Å; F369-E373 VanDerWaalsContact O-N 3.1Å
370	E	90.1	Very high	82.1	Confident	43 Å²	43	65.3 Å²	65.3	20%	0.201	33%	0.327	C	S	.	.	H	α-helix	trans	-57.3	-40.1	174.6	-74.7	180	159.7	0	0	111.7	A96 F97 T98 V366 K367 S374	A96-E370 WeakPolarHBondContact O-CG 3.21Å; F97-E370 WeakPolarHBondContact CA-OE1 3.46Å; F97-E370 HydrophobicContact CB-CG 4.3Å; F97-E370 WeakPolarHBondContact CB-OE1 3.29Å; T98-E370 PolarHBondContact N-OE1 3.01Å; V366-E370 HydrophobicContact CG1-CG 4.46Å; V366-E370 WeakPolarHBondContact O-CG 3.37Å; V366-E370 PolarHBondContact O-N 3Å; K367-E370 WeakPolarHBondContact CD-OE2 3.42Å; K367-E370 IonicContact NZ-OE1 2.8Å; K367-E370 IonicContact NZ-OE2 3.82Å; K367-E370 PolarHBondContact NZ-OE2 2.55Å; E370-S374 PolarHBondContact O-N 2.84Å; E370-S374 VanDerWaalsContact O-N 3.15Å
371	A	88.4	Confident	79.7	Confident	53 Å²	53	72.3 Å²	72.3	44%	0.438	36%	0.36	S	S	.	.	H	α-helix	trans	-69	-43.9	179.4	0	0	0	0	0	112.4	K367 E368 F369 E373 S374 H375	K367-A371 WeakPolarHBondContact O-CB 3.29Å; K367-A371 PolarHBondContact O-N 3.11Å; E368-A371 PolarHBondContact O-N 3.44Å; F369-A371 VanDerWaalsContact C-N 3.27Å; F369-A371 PolarHBondContact O-N 2.87Å; A371-E373 PolarHBondContact O-N 3.15Å; A371-S374 PolarHBondContact O-N 2.99Å; A371-S374 PolarHBondContact O-OG 3.48Å; A371-H375 PolarHBondContact O-N 2.99Å
372	Q	85.1	Confident	79	Confident	89 Å²	89	72.2 Å²	72.2	42%	0.416	36%	0.364	S	S	.	.	H	α-helix	trans	-60.9	-45.2	177.4	-72	172.9	1.6	0	0	111.5	E368 F369 S374 H375 I376	E368-Q372 WeakPolarHBondContact O-CG 3.49Å; E368-Q372 PolarHBondContact O-N 3.2Å; E368-Q372 PolarHBondContact OE1-NE2 3.06Å; F369-Q372 PolarHBondContact O-N 2.99Å; Q372-S374 VanDerWaalsContact C-N 3.31Å; Q372-S374 PolarHBondContact O-N 3.41Å; Q372-H375 PolarHBondContact O-N 3.05Å; Q372-H375 VanDerWaalsContact O-N 3.12Å; Q372-I376 WeakPolarHBondContact O-CG1 3.38Å; Q372-I376 PolarHBondContact O-N 3.34Å
373	E	78	Confident	78.2	Confident	37 Å²	37	75.9 Å²	75.9	17%	0.173	38%	0.383	C	S	.	.	H	α-helix	trans	-58.8	-40.9	175.3	-88.5	-69.5	113.3	0	0	112.8	F369 A371 H375 R377	F369-E373 HydrophobicContact CD1-CG 4.12Å; F369-E373 HydrophobicContact CE1-CG 3.77Å; F369-E373 PolarHBondContact O-N 3.01Å; F369-E373 VanDerWaalsContact O-N 3.1Å; A371-E373 PolarHBondContact O-N 3.15Å; E373-H375 VanDerWaalsContact C-N 3.32Å; E373-R377 WeakPolarHBondContact O-CG 3.4Å; E373-R377 PolarHBondContact O-N 3.24Å; E373-R377 IonicContact OE2-CZ 3.87Å; E373-R377 IonicContact OE2-NE 3.73Å; E373-R377 IonicContact OE2-NH2 3.69Å; E373-R377 PolarHBondContact OE2-NH2 2.79Å
374	S	74.6	Confident	77.2	Confident	60 Å²	60	78.5 Å²	78.5	42%	0.42	40%	0.397	S	S	.	.	H	α-helix	trans	-66.8	-35.2	176.6	76.3	0	0	0	0	112.4	E370 A371 Q372 N378	E370-S374 PolarHBondContact O-N 2.84Å; E370-S374 VanDerWaalsContact O-N 3.15Å; A371-S374 PolarHBondContact O-N 2.99Å; A371-S374 PolarHBondContact O-OG 3.48Å; Q372-S374 VanDerWaalsContact C-N 3.31Å; Q372-S374 PolarHBondContact O-N 3.41Å; S374-N378 VanDerWaalsContact O-CG 3.28Å; S374-N378 PolarHBondContact O-N 2.82Å; S374-N378 PolarHBondContact O-ND2 2.66Å
375	H	67.4	Low	76.2	Confident	120 Å²	120	76.2 Å²	76.2	56%	0.556	39%	0.388	S	S	*	.	H	α-helix	trans	-70.2	-43.6	179.8	-162.7	61.3	0	0	0	111.8	A371 Q372 E373 R377 N378 I379	A371-H375 PolarHBondContact O-N 2.99Å; Q372-H375 PolarHBondContact O-N 3.05Å; Q372-H375 VanDerWaalsContact O-N 3.12Å; E373-H375 VanDerWaalsContact C-N 3.32Å; H375-R377 VanDerWaalsContact C-N 3.28Å; H375-R377 PolarHBondContact O-N 3.29Å; H375-N378 PolarHBondContact O-N 3.44Å; H375-N378 VanDerWaalsContact O-N 3.17Å; H375-I379 WeakPolarHBondContact O-CG1 3.02Å; H375-I379 PolarHBondContact O-N 3.19Å
376	I	64.1	Low	75.1	Confident	81 Å²	81	78.6 Å²	78.6	42%	0.415	40%	0.401	S	S	.	.	H	α-helix	trans	-58.8	-41.5	176.8	-66.1	168.2	0	0	0	110.6	Q372 N378 I379 Q380	Q372-I376 WeakPolarHBondContact O-CG1 3.38Å; Q372-I376 PolarHBondContact O-N 3.34Å; I376-N378 PolarHBondContact O-N 2.97Å; I376-I379 PolarHBondContact O-N 3.05Å; I376-Q380 WeakPolarHBondContact O-CG 3.35Å; I376-Q380 PolarHBondContact O-N 2.93Å
377	R	63	Low	73.8	Confident	63 Å²	63	83.9 Å²	83.9	24%	0.238	43%	0.428	C	S	.	.	H	α-helix	trans	-68.2	-33.3	177.6	-70	-176.1	-156.8	153.3	26.9	114.2	R30 E373 H375 I379 Q380 N381	R30-R377 VanDerWaalsContact CZ-NH2 3.3Å; E373-R377 WeakPolarHBondContact O-CG 3.4Å; E373-R377 PolarHBondContact O-N 3.24Å; E373-R377 IonicContact OE2-CZ 3.87Å; E373-R377 IonicContact OE2-NE 3.73Å; E373-R377 IonicContact OE2-NH2 3.69Å; E373-R377 PolarHBondContact OE2-NH2 2.79Å; H375-R377 VanDerWaalsContact C-N 3.28Å; H375-R377 PolarHBondContact O-N 3.29Å; R377-I379 PolarHBondContact O-N 2.98Å; R377-Q380 PolarHBondContact O-N 3.08Å; R377-N381 PolarHBondContact O-N 2.51Å; R377-N381 PolarHBondContact O-ND2 3.35Å
378	N	60.2	Low	72.4	Confident	119 Å²	119	86.6 Å²	86.6	64%	0.636	45%	0.445	S	S	*	.	H	α-helix	trans	-74.1	-16.3	176.9	-69.3	-20.7	0	0	0	112.6	S374 H375 I376	S374-N378 VanDerWaalsContact O-CG 3.28Å; S374-N378 PolarHBondContact O-N 2.82Å; S374-N378 PolarHBondContact O-ND2 2.66Å; H375-N378 PolarHBondContact O-N 3.44Å; H375-N378 VanDerWaalsContact O-N 3.17Å; I376-N378 PolarHBondContact O-N 2.97Å
379	I	60.1	Low	70.9	Confident	119 Å²	119	87.9 Å²	87.9	61%	0.61	45%	0.454	S	S	*	.	H	α-helix	trans	-89.7	-26.7	174.7	-64.4	166.5	0	0	0	111.3	H375 I376 R377	H375-I379 WeakPolarHBondContact O-CG1 3.02Å; H375-I379 PolarHBondContact O-N 3.19Å; I376-I379 PolarHBondContact O-N 3.05Å; R377-I379 PolarHBondContact O-N 2.98Å
380	Q	54.6	Low	69.2	Low	151 Å²	151	93.3 Å²	93.3	71%	0.706	48%	0.483	S	S	*	.	H	α-helix	trans	-93.9	-8.5	-177.2	-70.1	179.1	-16.7	0	0	114.6	I376 R377	I376-Q380 WeakPolarHBondContact O-CG 3.35Å; I376-Q380 PolarHBondContact O-N 2.93Å; R377-Q380 PolarHBondContact O-N 3.08Å
381	N	44.7	Very low	67.3	Low	184 Å²	184	97.8 Å²	97.8	98%	0.984	51%	0.508	S	S	*	.			trans	-109.1	0	168.7	-64.1	-62.3	0	0	0	109.5	R377	R377-N381 PolarHBondContact O-N 2.51Å; R377-N381 PolarHBondContact O-ND2 3.35Å

Retrieved 381 of 381 residues in 1268.3 ms (Link to these results)

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