A0A061IIR9_CRIGR Loading...

Histone-lysine N-methyltransferase SETD7

Histone methyltransferase that specifically monomethylates 'Lys-4' of histone H3. H3 'Lys-4' methylation represents a specific tag for epigenetic transcriptional activation. Plays a central role in the transcriptional activation of genes such as collagenase or insulin. Recruited by IPF1/PDX-1 to the insulin promoter, leading to activate transcription. Also has methyltransferase activity toward non-histone proteins such as CGAS, p53/TP53, TAF10, and possibly TAF7 by recognizing and binding the [KR]-[STA]-K in substrate proteins. Monomethylates 'Lys-189' of TAF10, leading to increase the affinity of TAF10 for RNA polymerase II. Monomethylates 'Lys-372' of p53/TP53, stabilizing p53/TP53 and increasing p53/TP53-mediated transcriptional activation. Monomethylates 'Lys-491' of CGAS, promoting interaction between SGF29 and CGAS.

AlphaFold DB , UniProt , Accession A0A061IIR9, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Setd7, Length 366 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.6	Very low	55.8	Low	238 Å²	238	129.2 Å²	129.2	100%	1.172	69%	0.685	S	S	*	*				0	102.2	0	-100.3	174	158.7	0	0	104.9	S3	M1-S3 PolarHBondContact O-N 3.35Å
2	D	35.5	Very low	58.7	Low	173 Å²	173	122.8 Å²	122.8	93%	0.925	65%	0.654	S	S	*	*			trans	-75.9	104.3	174.6	-63.4	-34.5	0	0	0	107.6
3	S	36.3	Very low	61.4	Low	89 Å²	89	124 Å²	124	62%	0.622	65%	0.654	S	S	*	*			trans	-129.6	85.3	161.1	58.8	0	0	0	0	107.4	M1 D5	M1-S3 PolarHBondContact O-N 3.35Å; S3-D5 PolarHBondContact O-N 3.39Å
4	D	37.5	Very low	63.6	Low	163 Å²	163	118.8 Å²	118.8	87%	0.872	65%	0.645	S	S	*	*			trans	-64.1	62.8	151.6	-71.3	-32.7	0	0	0	108.4	E6	D4-E6 VanDerWaalsContact C-N 3.31Å; D4-E6 PolarHBondContact O-N 3.35Å
5	D	45.9	Very low	65.6	Low	134 Å²	134	118.9 Å²	118.9	72%	0.717	64%	0.639	S	S	*	*			trans	-76.9	96.1	153.9	-89.5	-28.2	0	0	0	104.2	S3 M7	S3-D5 PolarHBondContact O-N 3.39Å; D5-M7 PolarHBondContact O-N 3.26Å
6	E	50.8	Low	67.4	Low	173 Å²	173	116.4 Å²	116.4	81%	0.808	63%	0.625	S	S	*	*			trans	-52.5	103.4	171.8	-76.1	179.5	169.7	0	0	107.9	D4 V8	D4-E6 VanDerWaalsContact C-N 3.31Å; D4-E6 PolarHBondContact O-N 3.35Å; E6-V8 VanDerWaalsContact C-N 3.32Å; E6-V8 WeakPolarHBondContact O-CG2 3.31Å; E6-V8 PolarHBondContact O-N 2.69Å
7	M	61.5	Low	68.9	Low	95 Å²	95	111.4 Å²	111.4	47%	0.468	60%	0.598	S	S	.	*			trans	-62	95.3	173.9	-74.4	-75.9	-160.6	0	0	107.7	D5 E9 Y30 S32 D34	D5-M7 PolarHBondContact O-N 3.26Å; M7-E9 PolarHBondContact O-N 3.18Å; M7-Y30 HydrophobicContact CB-CD1 3.77Å; M7-Y30 HydrophobicContact CB-CE1 4.28Å; M7-Y30 HydrophobicContact CB-CG 4.27Å; M7-S32 PolarHBondContact SD-OG 3.49Å; M7-D34 VanDerWaalsContact CE-OD2 3.23Å; M7-D34 WeakPolarHBondContact CE-OD2 3.3Å
8	V	72.4	Confident	70.3	Confident	88 Å²	88	114.8 Å²	114.8	53%	0.533	62%	0.616	S	S	.	*			trans	-70.3	122.6	-177.5	-174.8	0	0	0	0	108.9	E6 E10 Y30 S31	E6-V8 VanDerWaalsContact C-N 3.32Å; E6-V8 WeakPolarHBondContact O-CG2 3.31Å; E6-V8 PolarHBondContact O-N 2.69Å; V8-E10 PolarHBondContact O-N 3.03Å; V8-Y30 WeakPolarHBondContact O-CA 3.49Å; V8-S31 PolarHBondContact O-N 2.82Å
9	E	74.8	Confident	71.5	Confident	87 Å²	87	115.3 Å²	115.3	41%	0.407	62%	0.618	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-66.8	119.2	172.3	-58.6	-171	162.9	0	0	109.9	M7 V28 Y30	M7-E9 PolarHBondContact O-N 3.18Å; E9-V28 HydrophobicContact CB-CG1 4.13Å; E9-V28 HydrophobicContact CG-CG1 3.7Å; E9-Y30 HydrophobicContact CG-CD1 4.22Å; E9-Y30 HydrophobicContact CG-CE1 3.95Å
10	E	78	Confident	72.5	Confident	135 Å²	135	111.7 Å²	111.7	63%	0.631	61%	0.61	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-95.7	-34.7	178.1	-72.5	-165.1	164.4	0	0	112.3	V8 T29 S31	V8-E10 PolarHBondContact O-N 3.03Å; E10-T29 PolarHBondContact N-O 3.4Å; E10-S31 VanDerWaalsContact CD-CA 3.43Å; E10-S31 WeakPolarHBondContact OE1-CA 3.49Å; E10-S31 VanDerWaalsContact OE1-CB 3.26Å; E10-S31 WeakPolarHBondContact OE1-CB 3.44Å
11	A	87.2	Confident	73.5	Confident	46 Å²	46	109.5 Å²	109.5	38%	0.38	60%	0.597	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-148.8	135.2	-179.8	0	0	0	0	0	111.5	V28 T29	A11-V28 WeakPolarHBondContact O-CA 3.24Å; A11-T29 PolarHBondContact N-O 3.02Å; A11-T29 PolarHBondContact O-N 2.86Å
12	V	90.8	Very high	76.4	Confident	52 Å²	52	98.4 Å²	98.4	32%	0.315	54%	0.543	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	122.7	171.9	-177.4	0	0	0	0	108.6	L16 P22 C26 T27 V28	V12-L16 HydrophobicContact CG1-CD2 3.85Å; V12-P22 HydrophobicContact CG1-CB 4.39Å; V12-P22 HydrophobicContact CG1-CG 4Å; V12-P22 HydrophobicContact CG2-CG 4.26Å; V12-C26 HydrophobicContact CG1-CB 4.37Å; V12-T27 WeakPolarHBondContact CA-O 3.21Å; V12-V28 HydrophobicContact CG1-CG2 4.32Å; V12-V28 HydrophobicContact CG2-CG1 4.47Å; V12-V28 HydrophobicContact CG2-CG2 4.21Å
13	E	93.8	Very high	79.2	Confident	139 Å²	139	93.6 Å²	93.6	65%	0.65	52%	0.515	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111	115	171.2	-62.3	-175.3	173.8	0	0	109.3	C26 T27	E13-C26 CarbonylContact O-C 3.51Å; E13-C26 WeakPolarHBondContact O-CA 3.47Å; E13-T27 PolarHBondContact N-O 3.43Å; E13-T27 PolarHBondContact O-N 3.14Å
14	G	92.6	Very high	82	Confident	51 Å²	51	90.6 Å²	90.6	53%	0.526	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	153.3	-166.3	-179.7	0	0	0	0	0	112.7
15	H	93.4	Very high	84.8	Confident	121 Å²	121	88.9 Å²	88.9	56%	0.56	48%	0.483	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81	136.5	175.8	178.4	-80.9	0	0	0	109.8	H23 C26	H15-H23 CarbonylContact C-O 3.59Å; H15-H23 WeakPolarHBondContact CB-O 3.29Å; H15-H23 PolarHBondContact ND1-O 2.8Å; H15-H23 PolarHBondContact O-N 2.85Å; H15-C26 PolarHBondContact O-SG 2.97Å
16	L	94.3	Very high	87.2	Confident	78 Å²	78	82.5 Å²	82.5	41%	0.408	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	146.8	174.5	-56.5	178.6	0	0	0	108.8	V12 L21	V12-L16 HydrophobicContact CG1-CD2 3.85Å; L16-L21 CarbonylContact C-O 3.56Å; L16-L21 VanDerWaalsContact CA-O 3.23Å; L16-L21 WeakPolarHBondContact CA-O 3.37Å
17	D	93.4	Very high	89.4	Confident	31 Å²	31	75.3 Å²	75.3	17%	0.166	42%	0.417	C	S	.	.			trans	-78.6	-176.5	172.2	68.2	16.4	0	0	0	112.8	D19 G20 L21 H23 H42	D17-D19 PolarHBondContact O-N 3.33Å; D17-D19 PolarHBondContact OD1-N 2.66Å; D17-G20 PolarHBondContact O-N 2.89Å; D17-G20 PolarHBondContact OD1-N 2.83Å; D17-L21 PolarHBondContact N-O 2.86Å; D17-L21 PolarHBondContact OD1-N 3.4Å; D17-H23 HydrophobicContact CB-CB 3.98Å; D17-H42 WeakPolarHBondContact OD2-CA 3.49Å; D17-H42 IonicContact OD2-CE1 3.76Å; D17-H42 IonicContact OD2-CG 3.38Å; D17-H42 IonicContact OD2-ND1 2.76Å; D17-H42 PolarHBondContact OD2-ND1 2.9Å
18	D	94.1	Very high	91	Very high	173 Å²	173	70.8 Å²	70.8	93%	0.925	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-21.5	-177.3	-69.9	-27.2	0	0	0	113.3	G20	D18-G20 VanDerWaalsContact C-N 3.35Å
19	D	92.6	Very high	92	Very high	124 Å²	124	68.7 Å²	68.7	66%	0.663	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	1	177.3	-65.7	-52.7	0	0	0	112.2	D17 L21 H42	D17-D19 PolarHBondContact O-N 3.33Å; D17-D19 PolarHBondContact OD1-N 2.66Å; D19-L21 VanDerWaalsContact C-N 3.34Å; D19-L21 HydrophobicContact CB-CG 4.41Å; D19-H42 IonicContact OD2-CE1 3.07Å; D19-H42 PolarHBondContact OD2-CE1 2.76Å; D19-H42 VanDerWaalsContact OD2-CE1 3.28Å
20	G	92.1	Very high	92.7	Very high	44 Å²	44	65 Å²	65	45%	0.454	37%	0.365	S	S	.	.	S	Bend	trans	79.9	14.7	-179.8	0	0	0	0	0	113.7	D17 D18	D17-G20 PolarHBondContact O-N 2.89Å; D17-G20 PolarHBondContact OD1-N 2.83Å; D18-G20 VanDerWaalsContact C-N 3.35Å
21	L	92.8	Very high	92.8	Very high	65 Å²	65	61.4 Å²	61.4	34%	0.34	35%	0.354	S	S	.	.			trans	-92.6	149.6	-179.4	-60.9	177.2	0	0	0	111.4	L16 D17 D19 H23	L16-L21 CarbonylContact C-O 3.56Å; L16-L21 VanDerWaalsContact CA-O 3.23Å; L16-L21 WeakPolarHBondContact CA-O 3.37Å; D17-L21 PolarHBondContact N-O 2.86Å; D17-L21 PolarHBondContact OD1-N 3.4Å; D19-L21 VanDerWaalsContact C-N 3.34Å; D19-L21 HydrophobicContact CB-CG 4.41Å; L21-H23 PolarHBondContact O-N 2.79Å
22	P	94	Very high	92.3	Very high	5 Å²	5	61 Å²	61	3%	0.032	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-49.4	130	174.3	-26	29.3	0	0	0	113.3	V12 C26 V28 F40 H42 G43	V12-P22 HydrophobicContact CG1-CB 4.39Å; V12-P22 HydrophobicContact CG1-CG 4Å; V12-P22 HydrophobicContact CG2-CG 4.26Å; P22-C26 HydrophobicContact CB-CB 4.48Å; P22-V28 HydrophobicContact CG-CG2 4.48Å; P22-F40 HydrophobicContact CB-CB 3.83Å; P22-F40 HydrophobicContact CB-CD1 3.74Å; P22-F40 HydrophobicContact CB-CD2 4.18Å; P22-F40 HydrophobicContact CB-CE1 4.28Å; P22-F40 HydrophobicContact CB-CG 3.66Å; P22-F40 HydrophobicContact CG-CD1 4.46Å; P22-F40 WeakPolarHBondContact O-CB 3.13Å; P22-H42 PolarHBondContact O-N 2.93Å; P22-G43 PolarHBondContact O-N 2.68Å
23	H	95.6	Very high	92.1	Very high	72 Å²	72	63.5 Å²	63.5	33%	0.333	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	131.7	178.5	-168.5	96.7	0	0	0	112.3	H15 D17 L21	H15-H23 CarbonylContact C-O 3.59Å; H15-H23 WeakPolarHBondContact CB-O 3.29Å; H15-H23 PolarHBondContact ND1-O 2.8Å; H15-H23 PolarHBondContact O-N 2.85Å; D17-H23 HydrophobicContact CB-CB 3.98Å; L21-H23 PolarHBondContact O-N 2.79Å
24	G	94.6	Very high	92	Very high	26 Å²	26	57.3 Å²	57.3	27%	0.268	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	80.3	-153.7	-171	0	0	0	0	0	111.3	C26 N39 F40	G24-C26 PolarHBondContact O-N 2.79Å; G24-N39 CarbonylContact O-C 3.52Å; G24-N39 VanDerWaalsContact O-CA 3.32Å; G24-N39 WeakPolarHBondContact O-CA 3.44Å; G24-F40 PolarHBondContact N-O 3.26Å; G24-F40 PolarHBondContact O-N 3.31Å
25	F	96.6	Very high	92.2	Very high	127 Å²	127	59.1 Å²	59.1	56%	0.557	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.5	117.3	179.1	-170.9	-88.3	0	0	0	110.5	E37 G38	F25-E37 HydrophobicContact CZ-CB 4.23Å; F25-G38 CarbonylContact C-O 3.42Å; F25-G38 WeakPolarHBondContact CA-O 3.25Å
26	C	96.5	Very high	92.3	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	157.1	178.1	-59.6	0	0	0	0	111.3	V12 E13 H15 P22 G24 G38 F40	V12-C26 HydrophobicContact CG1-CB 4.37Å; E13-C26 CarbonylContact O-C 3.51Å; E13-C26 WeakPolarHBondContact O-CA 3.47Å; H15-C26 PolarHBondContact O-SG 2.97Å; P22-C26 HydrophobicContact CB-CB 4.48Å; G24-C26 PolarHBondContact O-N 2.79Å; C26-G38 PolarHBondContact N-O 3.28Å; C26-G38 PolarHBondContact O-N 3.41Å; C26-F40 HydrophobicContact CB-CD2 3.72Å; C26-F40 HydrophobicContact CB-CE2 3.88Å
27	T	96.7	Very high	92.5	Very high	23 Å²	23	52.1 Å²	52.1	14%	0.141	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	118.5	167	-59.3	0	0	0	0	108.2	V12 E13 R35 F36 E37	V12-T27 WeakPolarHBondContact CA-O 3.21Å; E13-T27 PolarHBondContact N-O 3.43Å; E13-T27 PolarHBondContact O-N 3.14Å; T27-R35 HydrophobicContact CG2-CG 3.66Å; T27-F36 CarbonylContact C-O 3.56Å; T27-F36 VanDerWaalsContact CA-O 3.29Å; T27-F36 WeakPolarHBondContact CA-O 3.46Å; T27-E37 HydrophobicContact CG2-CG 3.96Å
28	V	94.3	Very high	92.7	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	127.2	176	-179.6	0	0	0	0	108.3	E9 A11 V12 P22 Y30 R35 F36 F40	E9-V28 HydrophobicContact CB-CG1 4.13Å; E9-V28 HydrophobicContact CG-CG1 3.7Å; A11-V28 WeakPolarHBondContact O-CA 3.24Å; V12-V28 HydrophobicContact CG1-CG2 4.32Å; V12-V28 HydrophobicContact CG2-CG1 4.47Å; V12-V28 HydrophobicContact CG2-CG2 4.21Å; P22-V28 HydrophobicContact CG-CG2 4.48Å; V28-Y30 HydrophobicContact CG1-CD1 4.28Å; V28-Y30 HydrophobicContact CG1-CE1 3.78Å; V28-Y30 HydrophobicContact CG1-CE2 4.28Å; V28-R35 CarbonylContact O-C 3.56Å; V28-R35 VanDerWaalsContact O-CA 3.28Å; V28-R35 WeakPolarHBondContact O-CA 3.08Å; V28-F36 PolarHBondContact N-O 2.82Å; V28-F36 PolarHBondContact O-N 2.57Å; V28-F40 HydrophobicContact CB-CZ 4.3Å; V28-F40 HydrophobicContact CG2-CE1 4.09Å; V28-F40 HydrophobicContact CG2-CE2 3.91Å; V28-F40 HydrophobicContact CG2-CZ 3.41Å; V28-F40 VanDerWaalsContact CG2-CZ 3.41Å
29	T	93.2	Very high	92.8	Very high	44 Å²	44	45.2 Å²	45.2	27%	0.27	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	126.6	174.6	-52.6	0	0	0	0	108.8	E10 A11	E10-T29 PolarHBondContact N-O 3.4Å; A11-T29 PolarHBondContact N-O 3.02Å; A11-T29 PolarHBondContact O-N 2.86Å
30	Y	89.2	Confident	93	Very high	10 Å²	10	39.4 Å²	39.4	4%	0.039	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	160.8	-177.9	-57.3	-78.6	0	0	0	110.9	M7 V8 E9 V28 S32 T33 D34 F36 K45 F51	M7-Y30 HydrophobicContact CB-CD1 3.77Å; M7-Y30 HydrophobicContact CB-CE1 4.28Å; M7-Y30 HydrophobicContact CB-CG 4.27Å; V8-Y30 WeakPolarHBondContact O-CA 3.49Å; E9-Y30 HydrophobicContact CG-CD1 4.22Å; E9-Y30 HydrophobicContact CG-CE1 3.95Å; V28-Y30 HydrophobicContact CG1-CD1 4.28Å; V28-Y30 HydrophobicContact CG1-CE1 3.78Å; V28-Y30 HydrophobicContact CG1-CE2 4.28Å; Y30-S32 PolarHBondContact O-N 2.65Å; Y30-S32 VanDerWaalsContact O-N 3.16Å; Y30-T33 WeakPolarHBondContact O-CA 3.34Å; Y30-T33 PolarHBondContact O-N 2.79Å; Y30-D34 HydrophobicContact CD2-CB 4.08Å; Y30-D34 PolarHBondContact N-O 2.91Å; Y30-F36 HydrophobicContact CE2-CB 3.94Å; Y30-K45 VanDerWaalsContact OH-CE 3.24Å; Y30-K45 WeakPolarHBondContact OH-CE 3.4Å; Y30-K45 PolarHBondContact OH-NZ 2.81Å; Y30-F51 HydrophobicContact CD2-CE2 4.4Å; Y30-F51 HydrophobicContact CD2-CZ 4.01Å; Y30-F51 AromaticContact CE2-CE2 3.7Å; Y30-F51 HydrophobicContact CE2-CE2 3.7Å; Y30-F51 AromaticContact CE2-CZ 3.77Å; Y30-F51 HydrophobicContact CE2-CZ 3.77Å
31	S	81.5	Confident	93.3	Very high	58 Å²	58	40.8 Å²	40.8	41%	0.406	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-20.2	-179.7	59.7	0	0	0	0	115	V8 E10 T33	V8-S31 PolarHBondContact O-N 2.82Å; E10-S31 VanDerWaalsContact CD-CA 3.43Å; E10-S31 WeakPolarHBondContact OE1-CA 3.49Å; E10-S31 VanDerWaalsContact OE1-CB 3.26Å; E10-S31 WeakPolarHBondContact OE1-CB 3.44Å; S31-T33 PolarHBondContact O-N 3.04Å
32	S	76.9	Confident	93.4	Very high	39 Å²	39	42.1 Å²	42.1	27%	0.273	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-2.9	170.5	55.3	0	0	0	0	113.8	M7 Y30 D34	M7-S32 PolarHBondContact SD-OG 3.49Å; Y30-S32 PolarHBondContact O-N 2.65Å; Y30-S32 VanDerWaalsContact O-N 3.16Å; S32-D34 WeakPolarHBondContact CB-OD2 3.48Å; S32-D34 PolarHBondContact O-N 3.48Å; S32-D34 VanDerWaalsContact OG-CB 3.26Å; S32-D34 WeakPolarHBondContact OG-CB 3.28Å; S32-D34 PolarHBondContact OG-N 2.81Å; S32-D34 PolarHBondContact OG-OD2 3.18Å
33	T	85.1	Confident	93.3	Very high	104 Å²	104	42.8 Å²	42.8	64%	0.638	24%	0.235	S	C	*	.	S	Bend	trans	67.9	3.2	-164.8	70.8	0	0	0	0	114.9	Y30 S31	Y30-T33 WeakPolarHBondContact O-CA 3.34Å; Y30-T33 PolarHBondContact O-N 2.79Å; S31-T33 PolarHBondContact O-N 3.04Å
34	D	93.3	Very high	93.3	Very high	8 Å²	8	43.4 Å²	43.4	4%	0.043	24%	0.238	C	C	.	.			trans	-63	154.1	167.8	-61.2	-31.2	0	0	0	110.3	M7 Y30 S32 F51 F52 F53 F54	M7-D34 VanDerWaalsContact CE-OD2 3.23Å; M7-D34 WeakPolarHBondContact CE-OD2 3.3Å; Y30-D34 HydrophobicContact CD2-CB 4.08Å; Y30-D34 PolarHBondContact N-O 2.91Å; S32-D34 WeakPolarHBondContact CB-OD2 3.48Å; S32-D34 PolarHBondContact O-N 3.48Å; S32-D34 VanDerWaalsContact OG-CB 3.26Å; S32-D34 WeakPolarHBondContact OG-CB 3.28Å; S32-D34 PolarHBondContact OG-N 2.81Å; S32-D34 PolarHBondContact OG-OD2 3.18Å; D34-F51 HydrophobicContact CB-CE1 3.63Å; D34-F51 HydrophobicContact CB-CZ 4.01Å; D34-F52 WeakPolarHBondContact CA-O 3.38Å; D34-F53 VanDerWaalsContact OD1-CA 3.31Å; D34-F53 WeakPolarHBondContact OD1-CA 3.36Å; D34-F54 PolarHBondContact OD1-N 3.02Å
35	R	95.6	Very high	93.4	Very high	90 Å²	90	43.5 Å²	43.5	34%	0.34	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	134.4	-178.2	-175.9	-176.7	67.4	168.3	11.5	111	T27 V28 E37 F51 F52	T27-R35 HydrophobicContact CG2-CG 3.66Å; V28-R35 CarbonylContact O-C 3.56Å; V28-R35 VanDerWaalsContact O-CA 3.28Å; V28-R35 WeakPolarHBondContact O-CA 3.08Å; R35-E37 IonicContact CZ-OE1 2.71Å; R35-E37 IonicContact NE-OE1 3.28Å; R35-E37 PolarHBondContact NE-OE1 3.23Å; R35-E37 IonicContact NH1-OE1 3.29Å; R35-E37 PolarHBondContact NH1-OE1 3.15Å; R35-E37 IonicContact NH2-OE1 3.33Å; R35-E37 PolarHBondContact NH2-OE1 3.47Å; R35-F51 CarbonylContact O-C 3.59Å; R35-F52 HydrophobicContact CB-CB 4.37Å; R35-F52 PolarHBondContact N-O 2.95Å; R35-F52 PolarHBondContact O-N 2.99Å
36	F	96.5	Very high	93.4	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	132.2	169.3	179.6	-94.1	0	0	0	110.4	T27 V28 Y30 F40 K45 F51 Y63	T27-F36 CarbonylContact C-O 3.56Å; T27-F36 VanDerWaalsContact CA-O 3.29Å; T27-F36 WeakPolarHBondContact CA-O 3.46Å; V28-F36 PolarHBondContact N-O 2.82Å; V28-F36 PolarHBondContact O-N 2.57Å; Y30-F36 HydrophobicContact CE2-CB 3.94Å; F36-F40 HydrophobicContact CD1-CE1 4.38Å; F36-F40 AromaticContact CD1-CE2 3.53Å; F36-F40 HydrophobicContact CD1-CE2 3.53Å; F36-F40 AromaticContact CD1-CZ 3.33Å; F36-F40 HydrophobicContact CD1-CZ 3.33Å; F36-F40 HydrophobicContact CE1-CD2 4.38Å; F36-F40 HydrophobicContact CE1-CE1 4.39Å; F36-F40 AromaticContact CE1-CE2 3.54Å; F36-F40 HydrophobicContact CE1-CE2 3.54Å; F36-F40 AromaticContact CE1-CZ 3.56Å; F36-F40 HydrophobicContact CE1-CZ 3.56Å; F36-F40 HydrophobicContact CG-CZ 4.45Å; F36-K45 HydrophobicContact CD1-CD 4.33Å; F36-K45 HydrophobicContact CD1-CG 4.13Å; F36-K45 HydrophobicContact CD2-CD 4.14Å; F36-K45 HydrophobicContact CE1-CB 4.18Å; F36-K45 HydrophobicContact CE1-CD 4.06Å; F36-K45 HydrophobicContact CE1-CG 3.61Å; F36-K45 HydrophobicContact CE2-CD 3.86Å; F36-K45 HydrophobicContact CE2-CG 4.26Å; F36-K45 HydrophobicContact CG-CD 4.32Å; F36-K45 HydrophobicContact CZ-CB 3.92Å; F36-K45 HydrophobicContact CZ-CD 3.79Å; F36-K45 HydrophobicContact CZ-CG 3.66Å; F36-F51 HydrophobicContact CB-CD2 4.03Å; F36-F51 HydrophobicContact CB-CE2 4.21Å; F36-F51 HydrophobicContact CD2-CB 4.35Å; F36-F51 AromaticContact CD2-CD2 3.76Å; F36-F51 HydrophobicContact CD2-CD2 3.76Å; F36-F51 HydrophobicContact CD2-CG 4.46Å; F36-F51 HydrophobicContact CG-CD2 4.35Å; F36-Y63 HydrophobicContact CE2-CD2 4.02Å; F36-Y63 HydrophobicContact CE2-CE1 4.38Å; F36-Y63 AromaticContact CE2-CE2 3.63Å; F36-Y63 HydrophobicContact CE2-CE2 3.63Å; F36-Y63 AromaticContact CE2-CZ 3.82Å; F36-Y63 HydrophobicContact CZ-CD2 4.08Å; F36-Y63 HydrophobicContact CZ-CE2 4.16Å; F36-Y63 HydrophobicContact CZ-CG 4.49Å
37	E	97.8	Very high	93.4	Very high	51 Å²	51	39.4 Å²	39.4	24%	0.238	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	116.9	171.4	-63.4	-179.4	-177.2	0	0	108.4	F25 T27 R35 G49 K50 F52	F25-E37 HydrophobicContact CZ-CB 4.23Å; T27-E37 HydrophobicContact CG2-CG 3.96Å; R35-E37 IonicContact CZ-OE1 2.71Å; R35-E37 IonicContact NE-OE1 3.28Å; R35-E37 PolarHBondContact NE-OE1 3.23Å; R35-E37 IonicContact NH1-OE1 3.29Å; R35-E37 PolarHBondContact NH1-OE1 3.15Å; R35-E37 IonicContact NH2-OE1 3.33Å; R35-E37 PolarHBondContact NH2-OE1 3.47Å; E37-G49 CarbonylContact O-C 3.49Å; E37-G49 VanDerWaalsContact O-CA 3.26Å; E37-G49 WeakPolarHBondContact O-CA 3.33Å; E37-K50 PolarHBondContact N-O 2.9Å; E37-K50 PolarHBondContact O-N 2.98Å; E37-F52 HydrophobicContact CB-CE2 4.1Å; E37-F52 VanDerWaalsContact CD-CE2 3.5Å; E37-F52 HydrophobicContact CG-CD2 4.32Å; E37-F52 HydrophobicContact CG-CE2 3.76Å
38	G	97.3	Very high	93.5	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178	-174.1	-176.5	0	0	0	0	0	114.6	F25 C26 F40 R48	F25-G38 CarbonylContact C-O 3.42Å; F25-G38 WeakPolarHBondContact CA-O 3.25Å; C26-G38 PolarHBondContact N-O 3.28Å; C26-G38 PolarHBondContact O-N 3.41Å; G38-F40 WeakPolarHBondContact O-CD2 3.36Å; G38-R48 WeakPolarHBondContact CA-O 3.33Å
39	N	97.2	Very high	93.6	Very high	59 Å²	59	45.7 Å²	45.7	32%	0.316	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	139.3	179.3	-63.9	-83.9	0	0	0	110.8	G24 N46 R48	G24-N39 CarbonylContact O-C 3.52Å; G24-N39 VanDerWaalsContact O-CA 3.32Å; G24-N39 WeakPolarHBondContact O-CA 3.44Å; N39-N46 CarbonylContact C-O 3.56Å; N39-N46 WeakPolarHBondContact CB-O 3.41Å; N39-N46 CarbonylContact O-C 3.53Å; N39-N46 PolarHBondContact O-N 3.29Å; N39-R48 PolarHBondContact N-O 3.16Å; N39-R48 VanDerWaalsContact N-O 3.1Å; N39-R48 PolarHBondContact ND2-O 3.49Å
40	F	97.1	Very high	93.8	Very high	3 Å²	3	46.4 Å²	46.4	1%	0.013	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	148.9	177.7	-70	-97	0	0	0	111.1	P22 G24 C26 V28 F36 G38 G43 E44 K45	P22-F40 HydrophobicContact CB-CB 3.83Å; P22-F40 HydrophobicContact CB-CD1 3.74Å; P22-F40 HydrophobicContact CB-CD2 4.18Å; P22-F40 HydrophobicContact CB-CE1 4.28Å; P22-F40 HydrophobicContact CB-CG 3.66Å; P22-F40 HydrophobicContact CG-CD1 4.46Å; P22-F40 WeakPolarHBondContact O-CB 3.13Å; G24-F40 PolarHBondContact N-O 3.26Å; G24-F40 PolarHBondContact O-N 3.31Å; C26-F40 HydrophobicContact CB-CD2 3.72Å; C26-F40 HydrophobicContact CB-CE2 3.88Å; V28-F40 HydrophobicContact CB-CZ 4.3Å; V28-F40 HydrophobicContact CG2-CE1 4.09Å; V28-F40 HydrophobicContact CG2-CE2 3.91Å; V28-F40 HydrophobicContact CG2-CZ 3.41Å; V28-F40 VanDerWaalsContact CG2-CZ 3.41Å; F36-F40 HydrophobicContact CD1-CE1 4.38Å; F36-F40 AromaticContact CD1-CE2 3.53Å; F36-F40 HydrophobicContact CD1-CE2 3.53Å; F36-F40 AromaticContact CD1-CZ 3.33Å; F36-F40 HydrophobicContact CD1-CZ 3.33Å; F36-F40 HydrophobicContact CE1-CD2 4.38Å; F36-F40 HydrophobicContact CE1-CE1 4.39Å; F36-F40 AromaticContact CE1-CE2 3.54Å; F36-F40 HydrophobicContact CE1-CE2 3.54Å; F36-F40 AromaticContact CE1-CZ 3.56Å; F36-F40 HydrophobicContact CE1-CZ 3.56Å; F36-F40 HydrophobicContact CG-CZ 4.45Å; G38-F40 WeakPolarHBondContact O-CD2 3.36Å; F40-G43 WeakPolarHBondContact CD1-O 3.46Å; F40-E44 CarbonylContact C-O 3.55Å; F40-E44 VanDerWaalsContact CA-O 3.24Å; F40-E44 WeakPolarHBondContact CA-O 3.38Å; F40-K45 HydrophobicContact CD1-CG 4.2Å; F40-K45 HydrophobicContact CE1-CG 3.61Å; F40-K45 HydrophobicContact CZ-CG 4Å
41	V	97.3	Very high	94.2	Very high	72 Å²	72	46.8 Å²	46.8	44%	0.436	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	110.5	168.2	177.4	0	0	0	0	107.1	G43 E44 N46	V41-G43 VanDerWaalsContact C-N 3.32Å; V41-G43 PolarHBondContact O-N 2.84Å; V41-E44 PolarHBondContact N-O 2.54Å; V41-E44 PolarHBondContact O-N 3.3Å; V41-E44 VanDerWaalsContact O-N 3.16Å; V41-N46 HydrophobicContact CB-CB 3.9Å; V41-N46 HydrophobicContact CG2-CB 3.67Å
42	H	94.4	Very high	95	Very high	93 Å²	93	46.6 Å²	46.6	43%	0.431	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.2	44.4	176.6	-162.7	60.7	0	0	0	113.3	D17 D19 P22 E44	D17-H42 WeakPolarHBondContact OD2-CA 3.49Å; D17-H42 IonicContact OD2-CE1 3.76Å; D17-H42 IonicContact OD2-CG 3.38Å; D17-H42 IonicContact OD2-ND1 2.76Å; D17-H42 PolarHBondContact OD2-ND1 2.9Å; D19-H42 IonicContact OD2-CE1 3.07Å; D19-H42 PolarHBondContact OD2-CE1 2.76Å; D19-H42 VanDerWaalsContact OD2-CE1 3.28Å; P22-H42 PolarHBondContact O-N 2.93Å; H42-E44 VanDerWaalsContact C-N 3.29Å; H42-E44 PolarHBondContact O-N 2.76Å
43	G	93.1	Very high	95.8	Very high	19 Å²	19	47.6 Å²	47.6	20%	0.196	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	86	-16.2	-179.6	0	0	0	0	0	115.5	P22 F40 V41	P22-G43 PolarHBondContact O-N 2.68Å; F40-G43 WeakPolarHBondContact CD1-O 3.46Å; V41-G43 VanDerWaalsContact C-N 3.32Å; V41-G43 PolarHBondContact O-N 2.84Å
44	E	95.3	Very high	96.2	Very high	85 Å²	85	50.1 Å²	50.1	40%	0.397	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	137.6	-178.7	-60.2	175.8	153.5	0	0	111.1	F40 V41 H42 N46	F40-E44 CarbonylContact C-O 3.55Å; F40-E44 VanDerWaalsContact CA-O 3.24Å; F40-E44 WeakPolarHBondContact CA-O 3.38Å; V41-E44 PolarHBondContact N-O 2.54Å; V41-E44 PolarHBondContact O-N 3.3Å; V41-E44 VanDerWaalsContact O-N 3.16Å; H42-E44 VanDerWaalsContact C-N 3.29Å; H42-E44 PolarHBondContact O-N 2.76Å; E44-N46 PolarHBondContact O-N 2.81Å
45	K	96.4	Very high	96.2	Very high	28 Å²	28	52.4 Å²	52.4	12%	0.122	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	119.9	175.3	-57.3	160.2	-174.5	161	0	108.9	Y30 F36 F40 Y63 D65 D66	Y30-K45 VanDerWaalsContact OH-CE 3.24Å; Y30-K45 WeakPolarHBondContact OH-CE 3.4Å; Y30-K45 PolarHBondContact OH-NZ 2.81Å; F36-K45 HydrophobicContact CD1-CD 4.33Å; F36-K45 HydrophobicContact CD1-CG 4.13Å; F36-K45 HydrophobicContact CD2-CD 4.14Å; F36-K45 HydrophobicContact CE1-CB 4.18Å; F36-K45 HydrophobicContact CE1-CD 4.06Å; F36-K45 HydrophobicContact CE1-CG 3.61Å; F36-K45 HydrophobicContact CE2-CD 3.86Å; F36-K45 HydrophobicContact CE2-CG 4.26Å; F36-K45 HydrophobicContact CG-CD 4.32Å; F36-K45 HydrophobicContact CZ-CB 3.92Å; F36-K45 HydrophobicContact CZ-CD 3.79Å; F36-K45 HydrophobicContact CZ-CG 3.66Å; F40-K45 HydrophobicContact CD1-CG 4.2Å; F40-K45 HydrophobicContact CE1-CG 3.61Å; F40-K45 HydrophobicContact CZ-CG 4Å; K45-Y63 HydrophobicContact CB-CD1 4.14Å; K45-Y63 HydrophobicContact CB-CG 4.03Å; K45-Y63 HydrophobicContact CD-CD1 4.12Å; K45-Y63 HydrophobicContact CD-CE1 4.3Å; K45-Y63 WeakPolarHBondContact O-CB 3.14Å; K45-D65 PolarHBondContact O-N 2.85Å; K45-D66 WeakPolarHBondContact CB-OD1 3.33Å; K45-D66 WeakPolarHBondContact CD-OD1 3.27Å; K45-D66 WeakPolarHBondContact CG-OD1 3.5Å; K45-D66 PolarHBondContact N-OD1 2.91Å; K45-D66 PolarHBondContact O-N 2.93Å; K45-D66 VanDerWaalsContact O-N 3.07Å
46	N	97.3	Very high	96.2	Very high	33 Å²	33	50.6 Å²	50.6	18%	0.176	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	103.6	-172.9	-96.5	-66	0	0	0	109.7	N39 V41 E44 Y63 D65	N39-N46 CarbonylContact C-O 3.56Å; N39-N46 WeakPolarHBondContact CB-O 3.41Å; N39-N46 CarbonylContact O-C 3.53Å; N39-N46 PolarHBondContact O-N 3.29Å; V41-N46 HydrophobicContact CB-CB 3.9Å; V41-N46 HydrophobicContact CG2-CB 3.67Å; E44-N46 PolarHBondContact O-N 2.81Å; N46-Y63 WeakPolarHBondContact CA-O 3.42Å; N46-D65 PolarHBondContact ND2-OD1 3.35Å; N46-D65 PolarHBondContact OD1-N 2.68Å; N46-D65 PolarHBondContact OD1-OD1 3.38Å
47	G	96.8	Very high	96.2	Very high	8 Å²	8	50.6 Å²	50.6	8%	0.082	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	117.8	-160.2	-175.6	0	0	0	0	0	113.4	Y62 Y63	G47-Y62 CarbonylContact O-C 3.5Å; G47-Y62 WeakPolarHBondContact O-CA 3.45Å; G47-Y63 PolarHBondContact N-O 3.36Å; G47-Y63 PolarHBondContact O-N 3.23Å
48	R	97.1	Very high	96.2	Very high	150 Å²	150	49 Å²	49	57%	0.566	25%	0.251	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.9	138.2	176.7	-70.3	-70.4	-176.3	173	-1.9	110.4	G38 N39 G61 Y62	G38-R48 WeakPolarHBondContact CA-O 3.33Å; N39-R48 PolarHBondContact N-O 3.16Å; N39-R48 VanDerWaalsContact N-O 3.1Å; N39-R48 PolarHBondContact ND2-O 3.49Å; R48-G61 WeakPolarHBondContact CA-O 3.41Å; R48-Y62 HydrophobicContact CG-CD2 4.19Å
49	G	97.4	Very high	96.2	Very high	6 Å²	6	50.2 Å²	50.2	6%	0.062	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	162	175.2	0	0	0	0	0	112.5	E37 G61	E37-G49 CarbonylContact O-C 3.49Å; E37-G49 VanDerWaalsContact O-CA 3.26Å; E37-G49 WeakPolarHBondContact O-CA 3.33Å; G49-G61 PolarHBondContact N-O 3Å; G49-G61 PolarHBondContact O-N 2.86Å
50	K	98.2	Very high	96.3	Very high	58 Å²	58	51.7 Å²	51.7	25%	0.252	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	122.9	178.1	-174.1	165.2	-172.8	151.4	0	110	E37 F52 T58 L59 E60	E37-K50 PolarHBondContact N-O 2.9Å; E37-K50 PolarHBondContact O-N 2.98Å; K50-F52 HydrophobicContact CB-CE2 4.13Å; K50-F52 HydrophobicContact CB-CZ 4.48Å; K50-F52 HydrophobicContact CD-CE1 4.17Å; K50-F52 HydrophobicContact CD-CE2 4.16Å; K50-F52 HydrophobicContact CD-CZ 3.7Å; K50-F52 HydrophobicContact CG-CD2 4.38Å; K50-F52 HydrophobicContact CG-CE1 4.46Å; K50-F52 HydrophobicContact CG-CE2 3.85Å; K50-F52 HydrophobicContact CG-CZ 3.91Å; K50-T58 WeakPolarHBondContact CE-OG1 3.37Å; K50-L59 CarbonylContact C-O 3.57Å; K50-L59 WeakPolarHBondContact CA-O 3.47Å; K50-E60 HydrophobicContact CB-CB 4.45Å; K50-E60 HydrophobicContact CB-CG 4.36Å; K50-E60 HydrophobicContact CD-CB 4.34Å; K50-E60 HydrophobicContact CD-CG 4.5Å; K50-E60 HydrophobicContact CG-CB 4.19Å; K50-E60 IonicContact NZ-OE2 2.87Å; K50-E60 PolarHBondContact NZ-OE2 2.91Å
51	F	96.9	Very high	96.3	Very high	19 Å²	19	51.6 Å²	51.6	8%	0.083	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	135.5	171.4	-146.6	-82.1	0	0	0	109.3	Y30 D34 R35 F36 F53 T58 L59	Y30-F51 HydrophobicContact CD2-CE2 4.4Å; Y30-F51 HydrophobicContact CD2-CZ 4.01Å; Y30-F51 AromaticContact CE2-CE2 3.7Å; Y30-F51 HydrophobicContact CE2-CE2 3.7Å; Y30-F51 AromaticContact CE2-CZ 3.77Å; Y30-F51 HydrophobicContact CE2-CZ 3.77Å; D34-F51 HydrophobicContact CB-CE1 3.63Å; D34-F51 HydrophobicContact CB-CZ 4.01Å; R35-F51 CarbonylContact O-C 3.59Å; F36-F51 HydrophobicContact CB-CD2 4.03Å; F36-F51 HydrophobicContact CB-CE2 4.21Å; F36-F51 HydrophobicContact CD2-CB 4.35Å; F36-F51 AromaticContact CD2-CD2 3.76Å; F36-F51 HydrophobicContact CD2-CD2 3.76Å; F36-F51 HydrophobicContact CD2-CG 4.46Å; F36-F51 HydrophobicContact CG-CD2 4.35Å; F51-F53 HydrophobicContact CB-CE2 4.26Å; F51-F53 HydrophobicContact CB-CZ 4.21Å; F51-F53 AromaticContact CD1-CD1 3.57Å; F51-F53 HydrophobicContact CD1-CD1 3.57Å; F51-F53 HydrophobicContact CD1-CD2 4.13Å; F51-F53 AromaticContact CD1-CE1 3.33Å; F51-F53 HydrophobicContact CD1-CE1 3.33Å; F51-F53 AromaticContact CD1-CE2 3.93Å; F51-F53 HydrophobicContact CD1-CE2 3.93Å; F51-F53 AromaticContact CD1-CG 3.97Å; F51-F53 HydrophobicContact CD1-CG 3.97Å; F51-F53 AromaticContact CD1-CZ 3.53Å; F51-F53 HydrophobicContact CD1-CZ 3.53Å; F51-F53 AromaticContact CE1-CD1 3.6Å; F51-F53 HydrophobicContact CE1-CD1 3.6Å; F51-F53 AromaticContact CE1-CE1 3.5Å; F51-F53 HydrophobicContact CE1-CE1 3.5Å; F51-F53 VanDerWaalsContact CE1-CE1 3.5Å; F51-F53 HydrophobicContact CE1-CG 4.34Å; F51-F53 HydrophobicContact CE1-CZ 4.17Å; F51-F53 HydrophobicContact CG-CE1 4.22Å; F51-F53 HydrophobicContact CG-CE2 4.47Å; F51-F53 HydrophobicContact CG-CZ 4.06Å; F51-T58 CarbonylContact O-C 3.6Å; F51-T58 WeakPolarHBondContact O-CA 3.37Å; F51-T58 WeakPolarHBondContact O-CB 3.43Å; F51-L59 HydrophobicContact CB-CB 4.17Å; F51-L59 PolarHBondContact N-O 2.62Å; F51-L59 PolarHBondContact O-N 2.8Å
52	F	97	Very high	96.4	Very high	53 Å²	53	53.3 Å²	53.3	23%	0.232	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	117.7	173.4	-60.4	-96.3	0	0	0	106.7	D34 R35 E37 K50 T58	D34-F52 WeakPolarHBondContact CA-O 3.38Å; R35-F52 HydrophobicContact CB-CB 4.37Å; R35-F52 PolarHBondContact N-O 2.95Å; R35-F52 PolarHBondContact O-N 2.99Å; E37-F52 HydrophobicContact CB-CE2 4.1Å; E37-F52 VanDerWaalsContact CD-CE2 3.5Å; E37-F52 HydrophobicContact CG-CD2 4.32Å; E37-F52 HydrophobicContact CG-CE2 3.76Å; K50-F52 HydrophobicContact CB-CE2 4.13Å; K50-F52 HydrophobicContact CB-CZ 4.48Å; K50-F52 HydrophobicContact CD-CE1 4.17Å; K50-F52 HydrophobicContact CD-CE2 4.16Å; K50-F52 HydrophobicContact CD-CZ 3.7Å; K50-F52 HydrophobicContact CG-CD2 4.38Å; K50-F52 HydrophobicContact CG-CE1 4.46Å; K50-F52 HydrophobicContact CG-CE2 3.85Å; K50-F52 HydrophobicContact CG-CZ 3.91Å; F52-T58 HydrophobicContact CD1-CG2 3.69Å; F52-T58 HydrophobicContact CE1-CG2 4.15Å; F52-T58 HydrophobicContact CG-CG2 4.44Å
53	F	95.1	Very high	96.5	Very high	61 Å²	61	49.4 Å²	49.4	27%	0.268	24%	0.243	S	C	.	.			trans	-91.2	156.5	-179.8	-60	-83.7	0	0	0	110.4	D34 F51 D55 G56 S57 L59 Y74	D34-F53 VanDerWaalsContact OD1-CA 3.31Å; D34-F53 WeakPolarHBondContact OD1-CA 3.36Å; F51-F53 HydrophobicContact CB-CE2 4.26Å; F51-F53 HydrophobicContact CB-CZ 4.21Å; F51-F53 AromaticContact CD1-CD1 3.57Å; F51-F53 HydrophobicContact CD1-CD1 3.57Å; F51-F53 HydrophobicContact CD1-CD2 4.13Å; F51-F53 AromaticContact CD1-CE1 3.33Å; F51-F53 HydrophobicContact CD1-CE1 3.33Å; F51-F53 AromaticContact CD1-CE2 3.93Å; F51-F53 HydrophobicContact CD1-CE2 3.93Å; F51-F53 AromaticContact CD1-CG 3.97Å; F51-F53 HydrophobicContact CD1-CG 3.97Å; F51-F53 AromaticContact CD1-CZ 3.53Å; F51-F53 HydrophobicContact CD1-CZ 3.53Å; F51-F53 AromaticContact CE1-CD1 3.6Å; F51-F53 HydrophobicContact CE1-CD1 3.6Å; F51-F53 AromaticContact CE1-CE1 3.5Å; F51-F53 HydrophobicContact CE1-CE1 3.5Å; F51-F53 VanDerWaalsContact CE1-CE1 3.5Å; F51-F53 HydrophobicContact CE1-CG 4.34Å; F51-F53 HydrophobicContact CE1-CZ 4.17Å; F51-F53 HydrophobicContact CG-CE1 4.22Å; F51-F53 HydrophobicContact CG-CE2 4.47Å; F51-F53 HydrophobicContact CG-CZ 4.06Å; F53-D55 VanDerWaalsContact CB-OD1 3.27Å; F53-D55 WeakPolarHBondContact CB-OD1 3.35Å; F53-D55 PolarHBondContact O-N 2.98Å; F53-G56 PolarHBondContact O-N 2.84Å; F53-S57 WeakPolarHBondContact CB-OG 3.5Å; F53-S57 WeakPolarHBondContact CD2-O 3.41Å; F53-S57 WeakPolarHBondContact CD2-OG 3.48Å; F53-S57 PolarHBondContact N-O 3.18Å; F53-L59 HydrophobicContact CE2-CB 3.75Å; F53-L59 HydrophobicContact CZ-CB 4.15Å; F53-Y74 HydrophobicContact CD2-CE2 4.2Å; F53-Y74 HydrophobicContact CE2-CD2 4.32Å; F53-Y74 AromaticContact CE2-CE2 3.73Å; F53-Y74 HydrophobicContact CE2-CE2 3.73Å; F53-Y74 HydrophobicContact CZ-CE2 4.42Å
54	F	93.6	Very high	96.7	Very high	156 Å²	156	51.3 Å²	51.3	68%	0.684	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-29.7	-178.2	95.8	-89.3	0	0	0	112.8	D34 G56	D34-F54 PolarHBondContact OD1-N 3.02Å; F54-G56 PolarHBondContact O-N 2.75Å
55	D	93.5	Very high	96.8	Very high	56 Å²	56	52 Å²	52	30%	0.299	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-4	177.9	67.4	1.2	0	0	0	112.9	F53 S57 E77	F53-D55 VanDerWaalsContact CB-OD1 3.27Å; F53-D55 WeakPolarHBondContact CB-OD1 3.35Å; F53-D55 PolarHBondContact O-N 2.98Å; D55-S57 WeakPolarHBondContact OD1-CB 3.3Å; D55-S57 PolarHBondContact OD1-N 3.39Å; D55-S57 PolarHBondContact OD1-OG 2.84Å; D55-S57 PolarHBondContact OD2-OG 2.96Å; D55-E77 WeakPolarHBondContact O-CB 3.5Å; D55-E77 WeakPolarHBondContact O-CG 3.33Å
56	G	93.8	Very high	96.7	Very high	52 Å²	52	54.1 Å²	54.1	54%	0.536	27%	0.269	S	S	.	.	S	Bend	trans	90.1	-5.4	-178.9	0	0	0	0	0	114.3	F53 F54	F53-G56 PolarHBondContact O-N 2.84Å; F54-G56 PolarHBondContact O-N 2.75Å
57	S	97.3	Very high	96.6	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.27	C	S	.	.			trans	-68.2	160.2	170.6	70	0	0	0	0	111.4	F53 D55 Y74 T75	F53-S57 WeakPolarHBondContact CB-OG 3.5Å; F53-S57 WeakPolarHBondContact CD2-O 3.41Å; F53-S57 WeakPolarHBondContact CD2-OG 3.48Å; F53-S57 PolarHBondContact N-O 3.18Å; D55-S57 WeakPolarHBondContact OD1-CB 3.3Å; D55-S57 PolarHBondContact OD1-N 3.39Å; D55-S57 PolarHBondContact OD1-OG 2.84Å; D55-S57 PolarHBondContact OD2-OG 2.96Å; S57-Y74 VanDerWaalsContact CB-OH 3.23Å; S57-Y74 WeakPolarHBondContact CB-OH 3.12Å; S57-Y74 PolarHBondContact OG-OH 2.69Å; S57-T75 CarbonylContact C-O 3.58Å; S57-T75 WeakPolarHBondContact CA-O 3.3Å; S57-T75 WeakPolarHBondContact CB-O 3.27Å
58	T	98.1	Very high	96.6	Very high	19 Å²	19	53.5 Å²	53.5	12%	0.117	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	148.5	177.6	72.3	0	0	0	0	112.3	K50 F51 F52 Y74 T75	K50-T58 WeakPolarHBondContact CE-OG1 3.37Å; F51-T58 CarbonylContact O-C 3.6Å; F51-T58 WeakPolarHBondContact O-CA 3.37Å; F51-T58 WeakPolarHBondContact O-CB 3.43Å; F52-T58 HydrophobicContact CD1-CG2 3.69Å; F52-T58 HydrophobicContact CE1-CG2 4.15Å; F52-T58 HydrophobicContact CG-CG2 4.44Å; T58-Y74 CarbonylContact O-C 3.54Å; T58-Y74 VanDerWaalsContact O-CA 3.27Å; T58-Y74 WeakPolarHBondContact O-CA 3.47Å; T58-T75 PolarHBondContact N-O 2.85Å; T58-T75 PolarHBondContact O-N 2.91Å
59	L	98	Very high	96.6	Very high	25 Å²	25	48.5 Å²	48.5	13%	0.131	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	118	173.2	178.8	59.6	0	0	0	110	K50 F51 F53 L68 V73 Y74 Y86	K50-L59 CarbonylContact C-O 3.57Å; K50-L59 WeakPolarHBondContact CA-O 3.47Å; F51-L59 HydrophobicContact CB-CB 4.17Å; F51-L59 PolarHBondContact N-O 2.62Å; F51-L59 PolarHBondContact O-N 2.8Å; F53-L59 HydrophobicContact CE2-CB 3.75Å; F53-L59 HydrophobicContact CZ-CB 4.15Å; L59-L68 HydrophobicContact CD1-CD2 3.78Å; L59-L68 HydrophobicContact CD2-CD2 3.79Å; L59-L68 HydrophobicContact CG-CD2 3.93Å; L59-V73 WeakPolarHBondContact CA-O 3.41Å; L59-Y74 HydrophobicContact CB-CD2 4.06Å; L59-Y74 HydrophobicContact CD1-CD2 4.23Å; L59-Y86 HydrophobicContact CD1-CE2 4.5Å
60	E	98.2	Very high	96.7	Very high	90 Å²	90	49.8 Å²	49.8	42%	0.421	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	135.7	-179	-174	176.6	156.4	0	0	111.1	K50 G72 V73	K50-E60 HydrophobicContact CB-CB 4.45Å; K50-E60 HydrophobicContact CB-CG 4.36Å; K50-E60 HydrophobicContact CD-CB 4.34Å; K50-E60 HydrophobicContact CD-CG 4.5Å; K50-E60 HydrophobicContact CG-CB 4.19Å; K50-E60 IonicContact NZ-OE2 2.87Å; K50-E60 PolarHBondContact NZ-OE2 2.91Å; E60-G72 CarbonylContact O-C 3.47Å; E60-G72 VanDerWaalsContact O-CA 3.23Å; E60-G72 WeakPolarHBondContact O-CA 3.29Å; E60-V73 PolarHBondContact N-O 3.5Å; E60-V73 PolarHBondContact O-N 3.47Å
61	G	97.9	Very high	96.7	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.01	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-179.4	-159.4	178.1	0	0	0	0	0	114.8	R48 G49	R48-G61 WeakPolarHBondContact CA-O 3.41Å; G49-G61 PolarHBondContact N-O 3Å; G49-G61 PolarHBondContact O-N 2.86Å
62	Y	98	Very high	96.7	Very high	108 Å²	108	52 Å²	52	42%	0.424	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	126.9	178.8	-167.7	-89.5	0	0	0	110	G47 R48 V64 Q69	G47-Y62 CarbonylContact O-C 3.5Å; G47-Y62 WeakPolarHBondContact O-CA 3.45Å; R48-Y62 HydrophobicContact CG-CD2 4.19Å; Y62-V64 HydrophobicContact CD1-CG2 4Å; Y62-V64 HydrophobicContact CE1-CG2 3.72Å; Y62-Q69 PolarHBondContact O-N 3.12Å
63	Y	97.8	Very high	96.8	Very high	11 Å²	11	52 Å²	52	4%	0.043	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	142.2	-176.9	-68.3	-98.1	0	0	0	110.7	F36 K45 N46 G47 D66 A67 L68	F36-Y63 HydrophobicContact CE2-CD2 4.02Å; F36-Y63 HydrophobicContact CE2-CE1 4.38Å; F36-Y63 AromaticContact CE2-CE2 3.63Å; F36-Y63 HydrophobicContact CE2-CE2 3.63Å; F36-Y63 AromaticContact CE2-CZ 3.82Å; F36-Y63 HydrophobicContact CZ-CD2 4.08Å; F36-Y63 HydrophobicContact CZ-CE2 4.16Å; F36-Y63 HydrophobicContact CZ-CG 4.49Å; K45-Y63 HydrophobicContact CB-CD1 4.14Å; K45-Y63 HydrophobicContact CB-CG 4.03Å; K45-Y63 HydrophobicContact CD-CD1 4.12Å; K45-Y63 HydrophobicContact CD-CE1 4.3Å; K45-Y63 WeakPolarHBondContact O-CB 3.14Å; N46-Y63 WeakPolarHBondContact CA-O 3.42Å; G47-Y63 PolarHBondContact N-O 3.36Å; G47-Y63 PolarHBondContact O-N 3.23Å; Y63-D66 WeakPolarHBondContact CD1-O 3.38Å; Y63-A67 CarbonylContact C-O 3.53Å; Y63-A67 VanDerWaalsContact CA-O 3.25Å; Y63-A67 WeakPolarHBondContact CA-O 3.38Å; Y63-L68 HydrophobicContact CD1-CB 4.28Å; Y63-L68 HydrophobicContact CE1-CB 3.89Å; Y63-L68 HydrophobicContact CE2-CD1 4.18Å
64	V	97.6	Very high	96.9	Very high	58 Å²	58	51.4 Å²	51.4	35%	0.352	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	117.4	170.1	-179.5	0	0	0	0	106.4	Y62 D66 A67 Q69	Y62-V64 HydrophobicContact CD1-CG2 4Å; Y62-V64 HydrophobicContact CE1-CG2 3.72Å; V64-D66 PolarHBondContact O-N 2.84Å; V64-A67 PolarHBondContact N-O 3.48Å; V64-A67 PolarHBondContact O-N 2.95Å; V64-Q69 HydrophobicContact CB-CG 4.03Å; V64-Q69 HydrophobicContact CG2-CB 4.46Å; V64-Q69 HydrophobicContact CG2-CG 4.02Å
65	D	95.8	Very high	97.2	Very high	99 Å²	99	46 Å²	46	53%	0.529	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.2	55.8	180	-50.1	-27.1	0	0	0	111.5	K45 N46 A67	K45-D65 PolarHBondContact O-N 2.85Å; N46-D65 PolarHBondContact ND2-OD1 3.35Å; N46-D65 PolarHBondContact OD1-N 2.68Å; N46-D65 PolarHBondContact OD1-OD1 3.38Å; D65-A67 PolarHBondContact O-N 2.95Å
66	D	95.3	Very high	97.3	Very high	73 Å²	73	46.8 Å²	46.8	39%	0.39	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.9	-13.4	-176.6	-68.8	-52.3	0	0	0	117.5	K45 Y63 V64	K45-D66 WeakPolarHBondContact CB-OD1 3.33Å; K45-D66 WeakPolarHBondContact CD-OD1 3.27Å; K45-D66 WeakPolarHBondContact CG-OD1 3.5Å; K45-D66 PolarHBondContact N-OD1 2.91Å; K45-D66 PolarHBondContact O-N 2.93Å; K45-D66 VanDerWaalsContact O-N 3.07Å; Y63-D66 WeakPolarHBondContact CD1-O 3.38Å; V64-D66 PolarHBondContact O-N 2.84Å
67	A	95.9	Very high	97.5	Very high	22 Å²	22	51.3 Å²	51.3	18%	0.182	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	132.2	-179.6	0	0	0	0	0	112.4	Y63 V64 D65 Q69	Y63-A67 CarbonylContact C-O 3.53Å; Y63-A67 VanDerWaalsContact CA-O 3.25Å; Y63-A67 WeakPolarHBondContact CA-O 3.38Å; V64-A67 PolarHBondContact N-O 3.48Å; V64-A67 PolarHBondContact O-N 2.95Å; D65-A67 PolarHBondContact O-N 2.95Å; A67-Q69 PolarHBondContact O-N 3.16Å
68	L	96.2	Very high	97.4	Very high	6 Å²	6	57 Å²	57	3%	0.031	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	129.3	171.2	175.1	62.9	0	0	0	110	L59 Y63 Y86 G89	L59-L68 HydrophobicContact CD1-CD2 3.78Å; L59-L68 HydrophobicContact CD2-CD2 3.79Å; L59-L68 HydrophobicContact CG-CD2 3.93Å; Y63-L68 HydrophobicContact CD1-CB 4.28Å; Y63-L68 HydrophobicContact CE1-CB 3.89Å; Y63-L68 HydrophobicContact CE2-CD1 4.18Å; L68-Y86 HydrophobicContact CD2-CD1 3.51Å; L68-Y86 HydrophobicContact CD2-CD2 3.66Å; L68-Y86 HydrophobicContact CD2-CE1 3.73Å; L68-Y86 HydrophobicContact CD2-CE2 3.9Å; L68-Y86 HydrophobicContact CD2-CG 3.46Å; L68-Y86 VanDerWaalsContact CD2-CG 3.46Å; L68-Y86 HydrophobicContact CG-CD1 4.14Å; L68-Y86 HydrophobicContact CG-CD2 4.15Å; L68-Y86 HydrophobicContact CG-CG 3.77Å; L68-G89 PolarHBondContact O-N 3.28Å
69	Q	98.1	Very high	97.3	Very high	46 Å²	46	57.7 Å²	57.7	22%	0.215	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	141.3	-175.2	-62.9	-66.5	-9.8	0	0	112	Y62 V64 A67 D88	Y62-Q69 PolarHBondContact O-N 3.12Å; V64-Q69 HydrophobicContact CB-CG 4.03Å; V64-Q69 HydrophobicContact CG2-CB 4.46Å; V64-Q69 HydrophobicContact CG2-CG 4.02Å; A67-Q69 PolarHBondContact O-N 3.16Å; Q69-D88 PolarHBondContact NE2-OD1 3.23Å
70	G	97.8	Very high	97.3	Very high	33 Å²	33	56.7 Å²	56.7	34%	0.34	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	73.5	-137.9	175.2	0	0	0	0	0	112.2	T85 Y86	G70-T85 CarbonylContact O-C 3.59Å; G70-T85 WeakPolarHBondContact O-CA 3.33Å; G70-Y86 PolarHBondContact N-O 2.9Å; G70-Y86 PolarHBondContact O-N 3.37Å
71	Q	98.2	Very high	97.3	Very high	121 Å²	121	54 Å²	54	57%	0.565	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.8	126.6	-176.2	-61.4	-60.5	-67	0	0	111.1	G84 T85	Q71-G84 WeakPolarHBondContact CA-O 3.43Å; Q71-T85 PolarHBondContact NE2-OG1 2.81Å
72	G	98.1	Very high	97.3	Very high	2 Å²	2	54.2 Å²	54.2	2%	0.021	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	152	172.7	0	0	0	0	0	111.5	E60 G84	E60-G72 CarbonylContact O-C 3.47Å; E60-G72 VanDerWaalsContact O-CA 3.23Å; E60-G72 WeakPolarHBondContact O-CA 3.29Å; G72-G84 PolarHBondContact N-O 3.29Å; G72-G84 PolarHBondContact O-N 3.12Å
73	V	98.5	Very high	97.3	Very high	53 Å²	53	52.9 Å²	52.9	32%	0.321	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	114.6	176.2	-176.6	0	0	0	0	108.1	L59 E60 V81 L82 Q83	L59-V73 WeakPolarHBondContact CA-O 3.41Å; E60-V73 PolarHBondContact N-O 3.5Å; E60-V73 PolarHBondContact O-N 3.47Å; V73-V81 HydrophobicContact CG1-CG1 3.68Å; V73-L82 WeakPolarHBondContact CA-O 3.36Å; V73-Q83 HydrophobicContact CG2-CG 4.38Å
74	Y	98.3	Very high	97.4	Very high	49 Å²	49	52.4 Å²	52.4	19%	0.192	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	125.5	170.4	-174.3	-90.9	0	0	0	108.7	F53 S57 T58 L59 Y76 V81 L82	F53-Y74 HydrophobicContact CD2-CE2 4.2Å; F53-Y74 HydrophobicContact CE2-CD2 4.32Å; F53-Y74 AromaticContact CE2-CE2 3.73Å; F53-Y74 HydrophobicContact CE2-CE2 3.73Å; F53-Y74 HydrophobicContact CZ-CE2 4.42Å; S57-Y74 VanDerWaalsContact CB-OH 3.23Å; S57-Y74 WeakPolarHBondContact CB-OH 3.12Å; S57-Y74 PolarHBondContact OG-OH 2.69Å; T58-Y74 CarbonylContact O-C 3.54Å; T58-Y74 VanDerWaalsContact O-CA 3.27Å; T58-Y74 WeakPolarHBondContact O-CA 3.47Å; L59-Y74 HydrophobicContact CB-CD2 4.06Å; L59-Y74 HydrophobicContact CD1-CD2 4.23Å; Y74-Y76 HydrophobicContact CD1-CD1 4.03Å; Y74-Y76 HydrophobicContact CD1-CD2 4.04Å; Y74-Y76 AromaticContact CD1-CE1 3.94Å; Y74-Y76 HydrophobicContact CD1-CE1 3.94Å; Y74-Y76 AromaticContact CD1-CE2 3.98Å; Y74-Y76 HydrophobicContact CD1-CE2 3.98Å; Y74-Y76 HydrophobicContact CD1-CG 4.05Å; Y74-Y76 AromaticContact CD1-CZ 3.9Å; Y74-Y76 AromaticContact CE1-CD1 3.45Å; Y74-Y76 HydrophobicContact CE1-CD1 3.45Å; Y74-Y76 VanDerWaalsContact CE1-CD1 3.45Å; Y74-Y76 HydrophobicContact CE1-CD2 4.23Å; Y74-Y76 AromaticContact CE1-CE1 3.59Å; Y74-Y76 HydrophobicContact CE1-CE1 3.59Å; Y74-Y76 HydrophobicContact CE1-CE2 4.38Å; Y74-Y76 AromaticContact CE1-CG 3.77Å; Y74-Y76 HydrophobicContact CE1-CG 3.77Å; Y74-V81 CarbonylContact O-C 3.5Å; Y74-V81 WeakPolarHBondContact O-CA 3.26Å; Y74-L82 PolarHBondContact N-O 3.06Å; Y74-L82 PolarHBondContact O-N 3.15Å
75	T	98.3	Very high	97.4	Very high	43 Å²	43	50.8 Å²	50.8	26%	0.264	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	119.1	172.5	-57.7	0	0	0	0	107.7	S57 T58 G80 V81	S57-T75 CarbonylContact C-O 3.58Å; S57-T75 WeakPolarHBondContact CA-O 3.3Å; S57-T75 WeakPolarHBondContact CB-O 3.27Å; T58-T75 PolarHBondContact N-O 2.85Å; T58-T75 PolarHBondContact O-N 2.91Å; T75-G80 CarbonylContact C-O 3.35Å; T75-G80 WeakPolarHBondContact CA-O 3.32Å; T75-V81 HydrophobicContact CG2-CG2 4.49Å
76	Y	97.2	Very high	97.5	Very high	72 Å²	72	46.8 Å²	46.8	28%	0.282	25%	0.254	S	S	.	.			trans	-69.2	160.9	177.2	-64.6	-90.2	0	0	0	110.7	Y74 D78 G79 G80 L82 E97	Y74-Y76 HydrophobicContact CD1-CD1 4.03Å; Y74-Y76 HydrophobicContact CD1-CD2 4.04Å; Y74-Y76 AromaticContact CD1-CE1 3.94Å; Y74-Y76 HydrophobicContact CD1-CE1 3.94Å; Y74-Y76 AromaticContact CD1-CE2 3.98Å; Y74-Y76 HydrophobicContact CD1-CE2 3.98Å; Y74-Y76 HydrophobicContact CD1-CG 4.05Å; Y74-Y76 AromaticContact CD1-CZ 3.9Å; Y74-Y76 AromaticContact CE1-CD1 3.45Å; Y74-Y76 HydrophobicContact CE1-CD1 3.45Å; Y74-Y76 VanDerWaalsContact CE1-CD1 3.45Å; Y74-Y76 HydrophobicContact CE1-CD2 4.23Å; Y74-Y76 AromaticContact CE1-CE1 3.59Å; Y74-Y76 HydrophobicContact CE1-CE1 3.59Å; Y74-Y76 HydrophobicContact CE1-CE2 4.38Å; Y74-Y76 AromaticContact CE1-CG 3.77Å; Y74-Y76 HydrophobicContact CE1-CG 3.77Å; Y76-D78 WeakPolarHBondContact CB-OD1 3.35Å; Y76-D78 PolarHBondContact O-N 3.31Å; Y76-G79 PolarHBondContact O-N 2.76Å; Y76-G80 WeakPolarHBondContact CD2-O 3.35Å; Y76-G80 PolarHBondContact N-O 2.84Å; Y76-L82 HydrophobicContact CE2-CB 3.85Å; Y76-E97 HydrophobicContact CE2-CG 4.42Å
77	E	96.5	Very high	97.7	Very high	147 Å²	147	46.3 Å²	46.3	69%	0.687	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-38.6	176.8	175.8	-178.2	-171.5	0	0	112.3	D55 G79	D55-E77 WeakPolarHBondContact O-CB 3.5Å; D55-E77 WeakPolarHBondContact O-CG 3.33Å; E77-G79 PolarHBondContact O-N 2.76Å
78	D	95.1	Very high	97.7	Very high	118 Å²	118	50.8 Å²	50.8	63%	0.631	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-9.5	-179.4	67.5	-2.3	0	0	0	113.8	Y76 G80 T100	Y76-D78 WeakPolarHBondContact CB-OD1 3.35Å; Y76-D78 PolarHBondContact O-N 3.31Å; D78-G80 PolarHBondContact OD1-N 3.27Å; D78-T100 HydrophobicContact CB-CG2 4.47Å; D78-T100 WeakPolarHBondContact O-CG2 3.31Å
79	G	95.9	Very high	97.6	Very high	34 Å²	34	52.3 Å²	52.3	35%	0.351	29%	0.292	S	S	.	.	S	Bend	trans	96.7	-1.2	-177.5	0	0	0	0	0	114.7	Y76 E77	Y76-G79 PolarHBondContact O-N 2.76Å; E77-G79 PolarHBondContact O-N 2.76Å
80	G	97.8	Very high	97.5	Very high	4 Å²	4	54.1 Å²	54.1	4%	0.041	30%	0.3	C	S	.	.			trans	-58.9	158.7	168.3	0	0	0	0	0	111.3	T75 Y76 D78 Y98	T75-G80 CarbonylContact C-O 3.35Å; T75-G80 WeakPolarHBondContact CA-O 3.32Å; Y76-G80 WeakPolarHBondContact CD2-O 3.35Å; Y76-G80 PolarHBondContact N-O 2.84Å; D78-G80 PolarHBondContact OD1-N 3.27Å; G80-Y98 WeakPolarHBondContact CA-O 3.5Å
81	V	98.5	Very high	97.5	Very high	33 Å²	33	53.3 Å²	53.3	20%	0.2	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	126.2	-176	-178	0	0	0	0	111.6	V73 Y74 T75 Q83 E97 Y98	V73-V81 HydrophobicContact CG1-CG1 3.68Å; Y74-V81 CarbonylContact O-C 3.5Å; Y74-V81 WeakPolarHBondContact O-CA 3.26Å; T75-V81 HydrophobicContact CG2-CG2 4.49Å; V81-Q83 HydrophobicContact CG1-CG 4.13Å; V81-E97 CarbonylContact O-C 3.53Å; V81-E97 VanDerWaalsContact O-CA 3.3Å; V81-E97 WeakPolarHBondContact O-CA 3.43Å; V81-Y98 PolarHBondContact N-O 3.21Å; V81-Y98 PolarHBondContact O-N 2.56Å
82	L	98.5	Very high	97.5	Very high	7 Å²	7	49 Å²	49	4%	0.037	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	118.7	167	174	67	0	0	0	110	V73 Y74 Y76 L91 A95 E97	V73-L82 WeakPolarHBondContact CA-O 3.36Å; Y74-L82 PolarHBondContact N-O 3.06Å; Y74-L82 PolarHBondContact O-N 3.15Å; Y76-L82 HydrophobicContact CE2-CB 3.85Å; L82-L91 HydrophobicContact CD2-CD1 3.79Å; L82-L91 HydrophobicContact CD2-CD2 4.43Å; L82-A95 HydrophobicContact CD1-CB 4.13Å; L82-E97 HydrophobicContact CB-CG 4.48Å; L82-E97 HydrophobicContact CD1-CB 4.33Å; L82-E97 HydrophobicContact CD1-CG 4.45Å
83	Q	98.6	Very high	97.5	Very high	80 Å²	80	50 Å²	50	37%	0.374	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	112.6	169.8	-62.2	-177.5	-5.8	0	0	108.3	V73 V81 A95 Q96 Y98	V73-Q83 HydrophobicContact CG2-CG 4.38Å; V81-Q83 HydrophobicContact CG1-CG 4.13Å; Q83-A95 CarbonylContact O-C 3.49Å; Q83-A95 WeakPolarHBondContact O-CA 3.15Å; Q83-Q96 PolarHBondContact N-O 2.74Å; Q83-Q96 PolarHBondContact O-N 3.28Å; Q83-Y98 HydrophobicContact CG-CE2 4.32Å
84	G	98.4	Very high	97.5	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	157.4	-171.7	0	0	0	0	0	113.4	Q71 G72 Y86	Q71-G84 WeakPolarHBondContact CA-O 3.43Å; G72-G84 PolarHBondContact N-O 3.29Å; G72-G84 PolarHBondContact O-N 3.12Å; G84-Y86 WeakPolarHBondContact O-CD2 3.33Å
85	T	98.6	Very high	97.5	Very high	25 Å²	25	49.4 Å²	49.4	15%	0.153	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	128	165.5	-51	0	0	0	0	108.6	G70 Q71 L91 N92 P94	G70-T85 CarbonylContact O-C 3.59Å; G70-T85 WeakPolarHBondContact O-CA 3.33Å; Q71-T85 PolarHBondContact NE2-OG1 2.81Å; T85-L91 CarbonylContact O-C 3.56Å; T85-L91 WeakPolarHBondContact O-CA 3.41Å; T85-N92 WeakPolarHBondContact CB-O 3.18Å; T85-N92 WeakPolarHBondContact CG2-O 3.45Å; T85-N92 CarbonylContact O-C 3.59Å; T85-N92 PolarHBondContact O-N 2.88Å; T85-P94 PolarHBondContact N-O 2.8Å; T85-P94 WeakPolarHBondContact OG1-CD 3.41Å; T85-P94 PolarHBondContact OG1-O 2.91Å
86	Y	98.3	Very high	97.5	Very high	14 Å²	14	50.3 Å²	50.3	6%	0.055	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	139.8	-177.8	-65.4	-98.6	0	0	0	110.4	L59 L68 G70 G84 E90 L91	L59-Y86 HydrophobicContact CD1-CE2 4.5Å; L68-Y86 HydrophobicContact CD2-CD1 3.51Å; L68-Y86 HydrophobicContact CD2-CD2 3.66Å; L68-Y86 HydrophobicContact CD2-CE1 3.73Å; L68-Y86 HydrophobicContact CD2-CE2 3.9Å; L68-Y86 HydrophobicContact CD2-CG 3.46Å; L68-Y86 VanDerWaalsContact CD2-CG 3.46Å; L68-Y86 HydrophobicContact CG-CD1 4.14Å; L68-Y86 HydrophobicContact CG-CD2 4.15Å; L68-Y86 HydrophobicContact CG-CG 3.77Å; G70-Y86 PolarHBondContact N-O 2.9Å; G70-Y86 PolarHBondContact O-N 3.37Å; G84-Y86 WeakPolarHBondContact O-CD2 3.33Å; Y86-E90 CarbonylContact C-O 3.56Å; Y86-E90 VanDerWaalsContact CA-O 3.22Å; Y86-E90 WeakPolarHBondContact CA-O 3.37Å; Y86-L91 HydrophobicContact CD1-CD2 4.14Å; Y86-L91 HydrophobicContact CD1-CG 4.19Å; Y86-L91 HydrophobicContact CD2-CD2 4.25Å; Y86-L91 HydrophobicContact CE1-CD2 3.63Å; Y86-L91 HydrophobicContact CE1-CG 3.65Å; Y86-L91 HydrophobicContact CE2-CD2 3.72Å; Y86-L91 HydrophobicContact CG-CD2 4.44Å
87	V	98.2	Very high	97.6	Very high	64 Å²	64	48.5 Å²	48.5	39%	0.388	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	122	170.9	-179.1	0	0	0	0	106.4	G89 E90 N92	V87-G89 PolarHBondContact O-N 3.27Å; V87-E90 PolarHBondContact N-O 3.01Å; V87-E90 PolarHBondContact O-N 2.96Å; V87-N92 HydrophobicContact CB-CB 3.89Å; V87-N92 HydrophobicContact CG2-CB 3.8Å
88	D	96.1	Very high	97.7	Very high	115 Å²	115	44 Å²	44	62%	0.615	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.6	37.8	-179.7	-58.6	-28.7	0	0	0	113.5	Q69 E90	Q69-D88 PolarHBondContact NE2-OD1 3.23Å; D88-E90 VanDerWaalsContact C-N 3.29Å; D88-E90 PolarHBondContact O-N 2.83Å
89	G	94.6	Very high	97.7	Very high	38 Å²	38	39.9 Å²	39.9	39%	0.392	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.2	-9.5	-179	0	0	0	0	0	115.3	L68 V87	L68-G89 PolarHBondContact O-N 3.28Å; V87-G89 PolarHBondContact O-N 3.27Å
90	E	96.9	Very high	97.8	Very high	84 Å²	84	42.4 Å²	42.4	39%	0.393	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	141.7	-177	-61.4	-172.5	144.4	0	0	112.1	Y86 V87 D88 N92	Y86-E90 CarbonylContact C-O 3.56Å; Y86-E90 VanDerWaalsContact CA-O 3.22Å; Y86-E90 WeakPolarHBondContact CA-O 3.37Å; V87-E90 PolarHBondContact N-O 3.01Å; V87-E90 PolarHBondContact O-N 2.96Å; D88-E90 VanDerWaalsContact C-N 3.29Å; D88-E90 PolarHBondContact O-N 2.83Å; E90-N92 VanDerWaalsContact CB-ND2 3.34Å; E90-N92 WeakPolarHBondContact CB-ND2 3.33Å; E90-N92 PolarHBondContact O-N 3.37Å; E90-N92 PolarHBondContact O-ND2 3.3Å
91	L	97.5	Very high	97.7	Very high	17 Å²	17	47.6 Å²	47.6	9%	0.089	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	109.8	172.2	-77.4	166.2	0	0	0	110.1	L82 T85 Y86 Y110 D112 N113	L82-L91 HydrophobicContact CD2-CD1 3.79Å; L82-L91 HydrophobicContact CD2-CD2 4.43Å; T85-L91 CarbonylContact O-C 3.56Å; T85-L91 WeakPolarHBondContact O-CA 3.41Å; Y86-L91 HydrophobicContact CD1-CD2 4.14Å; Y86-L91 HydrophobicContact CD1-CG 4.19Å; Y86-L91 HydrophobicContact CD2-CD2 4.25Å; Y86-L91 HydrophobicContact CE1-CD2 3.63Å; Y86-L91 HydrophobicContact CE1-CG 3.65Å; Y86-L91 HydrophobicContact CE2-CD2 3.72Å; Y86-L91 HydrophobicContact CG-CD2 4.44Å; L91-Y110 HydrophobicContact CB-CD1 4.21Å; L91-Y110 HydrophobicContact CB-CG 4.05Å; L91-Y110 HydrophobicContact CD1-CD1 4.27Å; L91-Y110 HydrophobicContact CD1-CE1 4.4Å; L91-Y110 WeakPolarHBondContact O-CB 3.14Å; L91-D112 PolarHBondContact O-N 3.24Å; L91-N113 PolarHBondContact N-OD1 2.76Å; L91-N113 PolarHBondContact O-N 2.64Å; L91-N113 VanDerWaalsContact O-N 3.11Å
92	N	98.2	Very high	97.5	Very high	31 Å²	31	48.4 Å²	48.4	17%	0.166	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	101.9	-174.9	-86.9	-65.4	0	0	0	109.3	T85 V87 E90 K111 D112	T85-N92 WeakPolarHBondContact CB-O 3.18Å; T85-N92 WeakPolarHBondContact CG2-O 3.45Å; T85-N92 CarbonylContact O-C 3.59Å; T85-N92 PolarHBondContact O-N 2.88Å; V87-N92 HydrophobicContact CB-CB 3.89Å; V87-N92 HydrophobicContact CG2-CB 3.8Å; E90-N92 VanDerWaalsContact CB-ND2 3.34Å; E90-N92 WeakPolarHBondContact CB-ND2 3.33Å; E90-N92 PolarHBondContact O-N 3.37Å; E90-N92 PolarHBondContact O-ND2 3.3Å; N92-K111 WeakPolarHBondContact OD1-CA 3.48Å; N92-D112 PolarHBondContact OD1-N 2.91Å
93	G	97.8	Very high	97.4	Very high	21 Å²	21	54.2 Å²	54.2	22%	0.216	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	119.6	-164	-178	0	0	0	0	0	113.5	Q109 Y110	G93-Q109 CarbonylContact O-C 3.52Å; G93-Q109 WeakPolarHBondContact O-CA 3.47Å; G93-Q109 WeakPolarHBondContact O-CB 3.3Å; G93-Y110 PolarHBondContact N-O 2.87Å; G93-Y110 PolarHBondContact O-N 3.49Å
94	P	98.1	Very high	97.4	Very high	87 Å²	87	53 Å²	53	57%	0.565	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.8	141.2	-175.7	-24.6	34.1	0	0	0	112.9	T85 G108	T85-P94 PolarHBondContact N-O 2.8Å; T85-P94 WeakPolarHBondContact OG1-CD 3.41Å; T85-P94 PolarHBondContact OG1-O 2.91Å; P94-G108 WeakPolarHBondContact CA-O 3.33Å
95	A	98.4	Very high	97.3	Very high	4 Å²	4	55.2 Å²	55.2	3%	0.033	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	152.3	173.5	0	0	0	0	0	112.5	L82 Q83 F106 G108 Y110	L82-A95 HydrophobicContact CD1-CB 4.13Å; Q83-A95 CarbonylContact O-C 3.49Å; Q83-A95 WeakPolarHBondContact O-CA 3.15Å; A95-F106 HydrophobicContact CB-CE1 4.48Å; A95-G108 PolarHBondContact N-O 3.08Å; A95-G108 PolarHBondContact O-N 2.98Å; A95-Y110 HydrophobicContact CB-CD2 3.51Å; A95-Y110 HydrophobicContact CB-CE2 3.71Å
96	Q	98.6	Very high	97.3	Very high	62 Å²	62	54.1 Å²	54.1	29%	0.29	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	136.1	175.6	-69.5	175.9	-6	0	0	109.6	Q83 Y98 L104 F106 K107	Q83-Q96 PolarHBondContact N-O 2.74Å; Q83-Q96 PolarHBondContact O-N 3.28Å; Q96-Y98 HydrophobicContact CB-CE2 3.73Å; Q96-Y98 PolarHBondContact OE1-OH 2.85Å; Q96-L104 HydrophobicContact CB-CD1 3.92Å; Q96-L104 HydrophobicContact CG-CD1 4.15Å; Q96-F106 WeakPolarHBondContact CA-O 3.48Å; Q96-K107 HydrophobicContact CG-CG 4.22Å
97	E	98.6	Very high	97.3	Very high	34 Å²	34	58 Å²	58	16%	0.159	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	139.9	178.5	-156	-178.2	157.5	0	0	109.5	Y76 V81 L82 I105 F106 R115	Y76-E97 HydrophobicContact CE2-CG 4.42Å; V81-E97 CarbonylContact O-C 3.53Å; V81-E97 VanDerWaalsContact O-CA 3.3Å; V81-E97 WeakPolarHBondContact O-CA 3.43Å; L82-E97 HydrophobicContact CB-CG 4.48Å; L82-E97 HydrophobicContact CD1-CB 4.33Å; L82-E97 HydrophobicContact CD1-CG 4.45Å; E97-I105 HydrophobicContact CB-CD1 4.48Å; E97-I105 HydrophobicContact CB-CG1 4.01Å; E97-I105 HydrophobicContact CG-CD1 4.1Å; E97-I105 HydrophobicContact CG-CG1 4.17Å; E97-I105 WeakPolarHBondContact O-CG1 3.41Å; E97-I105 PolarHBondContact O-N 2.82Å; E97-F106 HydrophobicContact CB-CB 3.73Å; E97-F106 HydrophobicContact CB-CD1 4.38Å; E97-F106 PolarHBondContact N-O 3.24Å; E97-F106 PolarHBondContact O-N 2.99Å; E97-R115 IonicContact OE2-NH2 2.76Å
98	Y	98.3	Very high	97.3	Very high	53 Å²	53	55.6 Å²	55.6	21%	0.208	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	140.1	-177.1	-59.7	-95.6	0	0	0	109.9	G80 V81 Q83 Q96 R103 L104	G80-Y98 WeakPolarHBondContact CA-O 3.5Å; V81-Y98 PolarHBondContact N-O 3.21Å; V81-Y98 PolarHBondContact O-N 2.56Å; Q83-Y98 HydrophobicContact CG-CE2 4.32Å; Q96-Y98 HydrophobicContact CB-CE2 3.73Å; Q96-Y98 PolarHBondContact OE1-OH 2.85Å; Y98-R103 CarbonylContact C-O 3.58Å; Y98-R103 WeakPolarHBondContact CA-O 3.21Å; Y98-L104 HydrophobicContact CD1-CB 4.21Å; Y98-L104 HydrophobicContact CD1-CD1 4.34Å; Y98-L104 HydrophobicContact CE1-CB 4.02Å; Y98-L104 HydrophobicContact CE1-CD1 3.84Å; Y98-L104 HydrophobicContact CE2-CD1 4.32Å
99	D	96.8	Very high	97.4	Very high	30 Å²	30	53.6 Å²	53.6	16%	0.16	30%	0.297	C	S	.	.			trans	-72.8	179.6	170.6	70.1	14.7	0	0	0	111.9	D101 G102 R103 I105	D99-D101 PolarHBondContact O-N 3.19Å; D99-D101 WeakPolarHBondContact OD1-CA 3.46Å; D99-D101 WeakPolarHBondContact OD1-CB 3.41Å; D99-D101 PolarHBondContact OD1-N 2.98Å; D99-G102 WeakPolarHBondContact O-CA 3.45Å; D99-G102 PolarHBondContact O-N 3.17Å; D99-G102 PolarHBondContact OD1-N 3.19Å; D99-G102 VanDerWaalsContact OD1-N 3.08Å; D99-R103 PolarHBondContact N-O 2.82Å; D99-R103 WeakPolarHBondContact OD1-CB 3.36Å; D99-R103 PolarHBondContact OD1-N 2.87Å; D99-R103 WeakPolarHBondContact OD2-CB 3.25Å; D99-I105 HydrophobicContact CB-CG2 3.92Å
100	T	96.7	Very high	97.6	Very high	88 Å²	88	53 Å²	53	54%	0.54	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-19.6	-178.4	57.3	0	0	0	0	113.8	D78 G102	D78-T100 HydrophobicContact CB-CG2 4.47Å; D78-T100 WeakPolarHBondContact O-CG2 3.31Å; T100-G102 VanDerWaalsContact C-N 3.31Å
101	D	95.1	Very high	97.7	Very high	112 Å²	112	54 Å²	54	60%	0.599	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-1.3	173	-75	-23.9	0	0	0	112.1	D99 R103	D99-D101 PolarHBondContact O-N 3.19Å; D99-D101 WeakPolarHBondContact OD1-CA 3.46Å; D99-D101 WeakPolarHBondContact OD1-CB 3.41Å; D99-D101 PolarHBondContact OD1-N 2.98Å; D101-R103 HydrophobicContact CB-CG 4.13Å; D101-R103 IonicContact OD2-CZ 3.66Å; D101-R103 IonicContact OD2-NE 2.75Å; D101-R103 IonicContact OD2-NH2 3.77Å; D101-R103 PolarHBondContact OD2-NH2 2.76Å; D101-R103 VanDerWaalsContact OD2-NH2 3.1Å
102	G	95.6	Very high	97.6	Very high	51 Å²	51	57.3 Å²	57.3	53%	0.526	30%	0.304	S	S	.	.			trans	76.8	19.4	-176.9	0	0	0	0	0	113.9	D99 T100	D99-G102 WeakPolarHBondContact O-CA 3.45Å; D99-G102 PolarHBondContact O-N 3.17Å; D99-G102 PolarHBondContact OD1-N 3.19Å; D99-G102 VanDerWaalsContact OD1-N 3.08Å; T100-G102 VanDerWaalsContact C-N 3.31Å
103	R	96.3	Very high	97.6	Very high	128 Å²	128	59.6 Å²	59.6	48%	0.483	32%	0.316	S	S	.	.			trans	-83.6	134.5	175.3	-52.6	176.4	-175.5	161.1	11	109.3	Y98 D99 D101 I105	Y98-R103 CarbonylContact C-O 3.58Å; Y98-R103 WeakPolarHBondContact CA-O 3.21Å; D99-R103 PolarHBondContact N-O 2.82Å; D99-R103 WeakPolarHBondContact OD1-CB 3.36Å; D99-R103 PolarHBondContact OD1-N 2.87Å; D99-R103 WeakPolarHBondContact OD2-CB 3.25Å; D101-R103 HydrophobicContact CB-CG 4.13Å; D101-R103 IonicContact OD2-CZ 3.66Å; D101-R103 IonicContact OD2-NE 2.75Å; D101-R103 IonicContact OD2-NH2 3.77Å; D101-R103 PolarHBondContact OD2-NH2 2.76Å; D101-R103 VanDerWaalsContact OD2-NH2 3.1Å; R103-I105 PolarHBondContact O-N 2.54Å
104	L	97.6	Very high	97.6	Very high	56 Å²	56	62.1 Å²	62.1	29%	0.293	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	116.9	175.5	-177.6	73.8	0	0	0	109.3	Q96 Y98 F106 K107 H122	Q96-L104 HydrophobicContact CB-CD1 3.92Å; Q96-L104 HydrophobicContact CG-CD1 4.15Å; Y98-L104 HydrophobicContact CD1-CB 4.21Å; Y98-L104 HydrophobicContact CD1-CD1 4.34Å; Y98-L104 HydrophobicContact CE1-CB 4.02Å; Y98-L104 HydrophobicContact CE1-CD1 3.84Å; Y98-L104 HydrophobicContact CE2-CD1 4.32Å; L104-F106 VanDerWaalsContact CD1-O 3.25Å; L104-F106 WeakPolarHBondContact CD1-O 3.29Å; L104-K107 HydrophobicContact CD2-CB 4.28Å; L104-K107 HydrophobicContact CD2-CD 4.49Å; L104-H122 VanDerWaalsContact O-CB 3.24Å; L104-H122 WeakPolarHBondContact O-CB 3.48Å
105	I	98.1	Very high	97.6	Very high	45 Å²	45	61.2 Å²	61.2	23%	0.231	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	-21.1	178.2	58.6	171.1	0	0	0	112.6	E97 D99 R103 I121 H122	E97-I105 HydrophobicContact CB-CD1 4.48Å; E97-I105 HydrophobicContact CB-CG1 4.01Å; E97-I105 HydrophobicContact CG-CD1 4.1Å; E97-I105 HydrophobicContact CG-CG1 4.17Å; E97-I105 WeakPolarHBondContact O-CG1 3.41Å; E97-I105 PolarHBondContact O-N 2.82Å; D99-I105 HydrophobicContact CB-CG2 3.92Å; R103-I105 PolarHBondContact O-N 2.54Å; I105-I121 CarbonylContact O-C 3.5Å; I105-I121 WeakPolarHBondContact O-CA 3.36Å; I105-H122 PolarHBondContact O-N 2.94Å
106	F	98.5	Very high	97.6	Very high	2 Å²	2	65.6 Å²	65.6	1%	0.009	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	141.6	174.7	171	-90.9	0	0	0	111.6	A95 Q96 E97 L104 Y110 R115 C119 W120 I121	A95-F106 HydrophobicContact CB-CE1 4.48Å; Q96-F106 WeakPolarHBondContact CA-O 3.48Å; E97-F106 HydrophobicContact CB-CB 3.73Å; E97-F106 HydrophobicContact CB-CD1 4.38Å; E97-F106 PolarHBondContact N-O 3.24Å; E97-F106 PolarHBondContact O-N 2.99Å; L104-F106 VanDerWaalsContact CD1-O 3.25Å; L104-F106 WeakPolarHBondContact CD1-O 3.29Å; F106-Y110 HydrophobicContact CD1-CE2 4.5Å; F106-Y110 HydrophobicContact CE1-CD2 4.43Å; F106-Y110 AromaticContact CE1-CE2 3.62Å; F106-Y110 HydrophobicContact CE1-CE2 3.62Å; F106-Y110 HydrophobicContact CZ-CE2 4Å; F106-R115 HydrophobicContact CE2-CG 4Å; F106-R115 HydrophobicContact CZ-CG 3.84Å; F106-C119 HydrophobicContact CE2-CB 3.71Å; F106-C119 HydrophobicContact CZ-CB 4.19Å; F106-W120 CarbonylContact C-O 3.52Å; F106-W120 VanDerWaalsContact CA-O 3.31Å; F106-W120 WeakPolarHBondContact CA-O 3.31Å; F106-W120 WeakPolarHBondContact CD2-O 3.47Å; F106-I121 HydrophobicContact CD2-CG1 4.2Å
107	K	98.4	Very high	97.6	Very high	97 Å²	97	63.3 Å²	63.3	42%	0.422	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	121.8	169.3	179.2	178.6	178.5	-179.8	0	109.9	Q96 L104 W120	Q96-K107 HydrophobicContact CG-CG 4.22Å; L104-K107 HydrophobicContact CD2-CB 4.28Å; L104-K107 HydrophobicContact CD2-CD 4.49Å; K107-W120 HydrophobicContact CB-CB 4.42Å; K107-W120 PolarHBondContact N-O 2.81Å; K107-W120 PolarHBondContact O-N 3.09Å
108	G	97.8	Very high	97.5	Very high	12 Å²	12	63.2 Å²	63.2	12%	0.124	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-173.4	-146	-179.3	0	0	0	0	0	111.2	P94 A95	P94-G108 WeakPolarHBondContact CA-O 3.33Å; A95-G108 PolarHBondContact N-O 3.08Å; A95-G108 PolarHBondContact O-N 2.98Å
109	Q	97.6	Very high	97.6	Very high	74 Å²	74	60.7 Å²	60.7	35%	0.346	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	153.9	179	55.6	-149.9	-53.9	0	0	109.1	G93 H116	G93-Q109 CarbonylContact O-C 3.52Å; G93-Q109 WeakPolarHBondContact O-CA 3.47Å; G93-Q109 WeakPolarHBondContact O-CB 3.3Å; Q109-H116 WeakPolarHBondContact CG-O 3.45Å; Q109-H116 PolarHBondContact O-N 3.34Å
110	Y	98.5	Very high	97.7	Very high	26 Å²	26	60.3 Å²	60.3	10%	0.102	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	154.2	177	-78.3	-103.3	0	0	0	110.1	L91 G93 A95 F106 N113 I114 R115	L91-Y110 HydrophobicContact CB-CD1 4.21Å; L91-Y110 HydrophobicContact CB-CG 4.05Å; L91-Y110 HydrophobicContact CD1-CD1 4.27Å; L91-Y110 HydrophobicContact CD1-CE1 4.4Å; L91-Y110 WeakPolarHBondContact O-CB 3.14Å; G93-Y110 PolarHBondContact N-O 2.87Å; G93-Y110 PolarHBondContact O-N 3.49Å; A95-Y110 HydrophobicContact CB-CD2 3.51Å; A95-Y110 HydrophobicContact CB-CE2 3.71Å; F106-Y110 HydrophobicContact CD1-CE2 4.5Å; F106-Y110 HydrophobicContact CE1-CD2 4.43Å; F106-Y110 AromaticContact CE1-CE2 3.62Å; F106-Y110 HydrophobicContact CE1-CE2 3.62Å; F106-Y110 HydrophobicContact CZ-CE2 4Å; Y110-N113 WeakPolarHBondContact CD1-O 3.23Å; Y110-I114 CarbonylContact C-O 3.49Å; Y110-I114 VanDerWaalsContact CA-O 3.22Å; Y110-I114 WeakPolarHBondContact CA-O 3.41Å; Y110-I114 VanDerWaalsContact CD1-C 3.47Å; Y110-R115 HydrophobicContact CD1-CG 4.4Å; Y110-R115 HydrophobicContact CE1-CG 3.72Å; Y110-R115 HydrophobicContact CE2-CG 4.11Å; Y110-R115 PolarHBondContact OH-NE 3.23Å
111	K	98.3	Very high	97.7	Very high	105 Å²	105	57.8 Å²	57.8	46%	0.457	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	124.9	167.2	-175.2	-172.4	172.3	-165.7	0	107.4	N92 N113 I114 H116	N92-K111 WeakPolarHBondContact OD1-CA 3.48Å; K111-N113 PolarHBondContact O-N 2.92Å; K111-I114 PolarHBondContact N-O 3.31Å; K111-I114 PolarHBondContact O-N 3.38Å; K111-H116 HydrophobicContact CB-CB 3.83Å
112	D	97.1	Very high	97.9	Very high	86 Å²	86	54.5 Å²	54.5	46%	0.46	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.5	43.7	179.6	-46.5	-37.8	0	0	0	111.8	L91 N92 I114	L91-D112 PolarHBondContact O-N 3.24Å; N92-D112 PolarHBondContact OD1-N 2.91Å; D112-I114 PolarHBondContact O-N 3.11Å
113	N	97.7	Very high	98	Very high	78 Å²	78	55 Å²	55	42%	0.417	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.9	6.4	-175.2	-55.7	-62	0	0	0	116.9	L91 Y110 K111	L91-N113 PolarHBondContact N-OD1 2.76Å; L91-N113 PolarHBondContact O-N 2.64Å; L91-N113 VanDerWaalsContact O-N 3.11Å; Y110-N113 WeakPolarHBondContact CD1-O 3.23Å; K111-N113 PolarHBondContact O-N 2.92Å
114	I	98.1	Very high	98	Very high	74 Å²	74	53.1 Å²	53.1	38%	0.379	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	138.9	177.3	-56.8	173.7	0	0	0	109.9	Y110 K111 D112 H116	Y110-I114 CarbonylContact C-O 3.49Å; Y110-I114 VanDerWaalsContact CA-O 3.22Å; Y110-I114 WeakPolarHBondContact CA-O 3.41Å; Y110-I114 VanDerWaalsContact CD1-C 3.47Å; K111-I114 PolarHBondContact N-O 3.31Å; K111-I114 PolarHBondContact O-N 3.38Å; D112-I114 PolarHBondContact O-N 3.11Å; I114-H116 PolarHBondContact O-N 3.09Å
115	R	98.3	Very high	97.9	Very high	68 Å²	68	50.8 Å²	50.8	26%	0.257	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.3	137.3	173.4	-68.3	175.8	174.5	174.7	1.5	109.1	E97 F106 Y110 V133 G137	E97-R115 IonicContact OE2-NH2 2.76Å; F106-R115 HydrophobicContact CE2-CG 4Å; F106-R115 HydrophobicContact CZ-CG 3.84Å; Y110-R115 HydrophobicContact CD1-CG 4.4Å; Y110-R115 HydrophobicContact CE1-CG 3.72Å; Y110-R115 HydrophobicContact CE2-CG 4.11Å; Y110-R115 PolarHBondContact OH-NE 3.23Å; R115-V133 HydrophobicContact CB-CG2 4.24Å; R115-V133 VanDerWaalsContact O-CG2 3.25Å; R115-V133 WeakPolarHBondContact O-CG2 3.39Å; R115-G137 WeakPolarHBondContact O-CA 3.34Å
116	H	97.9	Very high	97.8	Very high	96 Å²	96	50 Å²	50	44%	0.444	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	146.9	-170.9	-179	-103	0	0	0	112.2	Q109 K111 I114	Q109-H116 WeakPolarHBondContact CG-O 3.45Å; Q109-H116 PolarHBondContact O-N 3.34Å; K111-H116 HydrophobicContact CB-CB 3.83Å; I114-H116 PolarHBondContact O-N 3.09Å
117	G	97.7	Very high	97.8	Very high	14 Å²	14	50 Å²	50	14%	0.144	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	66	-148.2	178	0	0	0	0	0	113	C119 E132 V133	G117-C119 PolarHBondContact O-N 2.8Å; G117-E132 WeakPolarHBondContact O-CA 3.32Å; G117-V133 PolarHBondContact O-N 2.88Å
118	V	98.3	Very high	97.8	Very high	32 Å²	32	45.3 Å²	45.3	19%	0.194	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	122.7	-179.5	179.3	0	0	0	0	110.7	V130 G131 E132 R179	V118-V130 HydrophobicContact CG1-CG2 4.01Å; V118-G131 WeakPolarHBondContact CA-O 3.26Å; V118-E132 HydrophobicContact CG2-CB 4.45Å; V118-R179 HydrophobicContact CB-CG 4.32Å; V118-R179 HydrophobicContact CG2-CG 4.02Å
119	C	98.6	Very high	97.9	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	152.8	179.2	-68.5	0	0	0	0	110.8	F106 G117 V130 G131 V133 M139	F106-C119 HydrophobicContact CE2-CB 3.71Å; F106-C119 HydrophobicContact CZ-CB 4.19Å; G117-C119 PolarHBondContact O-N 2.8Å; C119-V130 WeakPolarHBondContact O-CA 3.39Å; C119-V130 WeakPolarHBondContact O-CG2 3.43Å; C119-G131 PolarHBondContact N-O 2.93Å; C119-G131 PolarHBondContact O-N 2.89Å; C119-V133 HydrophobicContact CB-CG1 3.94Å; C119-M139 HydrophobicContact CB-CE 3.89Å; C119-M139 WeakPolarHBondContact O-CE 3.37Å
120	W	98.7	Very high	97.9	Very high	22 Å²	22	41.5 Å²	41.5	8%	0.083	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	132.4	172.5	-67.6	74.3	0	0	0	109.1	F106 K107 L129 V130 V147 L172 T175 G178 P180	F106-W120 CarbonylContact C-O 3.52Å; F106-W120 VanDerWaalsContact CA-O 3.31Å; F106-W120 WeakPolarHBondContact CA-O 3.31Å; F106-W120 WeakPolarHBondContact CD2-O 3.47Å; K107-W120 HydrophobicContact CB-CB 4.42Å; K107-W120 PolarHBondContact N-O 2.81Å; K107-W120 PolarHBondContact O-N 3.09Å; W120-L129 CarbonylContact C-O 3.56Å; W120-L129 WeakPolarHBondContact CA-O 3.29Å; W120-V130 HydrophobicContact CD2-CB 3.76Å; W120-V130 HydrophobicContact CD2-CG2 3.56Å; W120-V130 HydrophobicContact CE3-CB 3.72Å; W120-V130 HydrophobicContact CE3-CG1 4.28Å; W120-V130 HydrophobicContact CE3-CG2 4.03Å; W120-V130 HydrophobicContact CG-CB 4.32Å; W120-V130 HydrophobicContact CG-CG2 3.97Å; W120-V130 HydrophobicContact CH2-CB 4.15Å; W120-V130 HydrophobicContact CH2-CG1 4.02Å; W120-V130 HydrophobicContact CH2-CG2 4.09Å; W120-V130 HydrophobicContact CZ2-CB 4.2Å; W120-V130 HydrophobicContact CZ2-CG1 4.39Å; W120-V130 HydrophobicContact CZ2-CG2 3.64Å; W120-V130 HydrophobicContact CZ3-CB 3.92Å; W120-V130 HydrophobicContact CZ3-CG1 3.96Å; W120-V130 HydrophobicContact CZ3-CG2 4.27Å; W120-V147 HydrophobicContact CZ3-CG2 4.44Å; W120-L172 HydrophobicContact CH2-CD2 4.13Å; W120-T175 HydrophobicContact CZ2-CG2 4.14Å; W120-G178 PolarHBondContact NE1-O 3Å; W120-P180 HydrophobicContact CH2-CB 4.18Å; W120-P180 HydrophobicContact CZ2-CB 3.98Å; W120-P180 HydrophobicContact CZ2-CG 4.27Å
121	I	98.6	Very high	97.9	Very high	36 Å²	36	40.4 Å²	40.4	19%	0.185	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	124.5	169.7	-60.9	170	0	0	0	106.6	I105 F106 S128 L129 M139	I105-I121 CarbonylContact O-C 3.5Å; I105-I121 WeakPolarHBondContact O-CA 3.36Å; F106-I121 HydrophobicContact CD2-CG1 4.2Å; I121-S128 CarbonylContact O-C 3.59Å; I121-S128 WeakPolarHBondContact O-CA 3.28Å; I121-S128 WeakPolarHBondContact O-CB 3.24Å; I121-L129 HydrophobicContact CB-CB 4.29Å; I121-L129 PolarHBondContact N-O 3.18Å; I121-L129 PolarHBondContact O-N 2.87Å; I121-M139 HydrophobicContact CD1-CE 3.68Å; I121-M139 HydrophobicContact CD1-CG 3.75Å; I121-M139 HydrophobicContact CG1-CE 3.78Å
122	H	98.3	Very high	97.9	Very high	43 Å²	43	42 Å²	42	20%	0.199	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	131.4	-176.7	-63.9	-80.6	0	0	0	109.9	L104 I105	L104-H122 VanDerWaalsContact O-CB 3.24Å; L104-H122 WeakPolarHBondContact O-CB 3.48Å; I105-H122 PolarHBondContact O-N 2.94Å
123	Y	97.7	Very high	98	Very high	61 Å²	61	38.5 Å²	38.5	24%	0.239	20%	0.203	C	C	.	.			trans	-91.9	150.3	175	-62.6	-66.4	0	0	0	110.7	D125 G126 G127 L129 Y146 V309	Y123-D125 PolarHBondContact O-N 2.87Å; Y123-G126 PolarHBondContact O-N 2.85Å; Y123-G127 PolarHBondContact N-O 3.18Å; Y123-L129 HydrophobicContact CE2-CD1 4.43Å; Y123-L129 HydrophobicContact CE2-CG 4.11Å; Y123-L129 WeakPolarHBondContact OH-CD1 3.26Å; Y123-Y146 HydrophobicContact CD2-CE2 4.14Å; Y123-Y146 HydrophobicContact CE2-CD2 4.35Å; Y123-Y146 HydrophobicContact CE2-CE2 4.06Å; Y123-V309 HydrophobicContact CD1-CB 4.19Å; Y123-V309 HydrophobicContact CD1-CG1 4.3Å; Y123-V309 HydrophobicContact CD1-CG2 4.31Å; Y123-V309 HydrophobicContact CE1-CB 4.47Å; Y123-V309 HydrophobicContact CE1-CG1 4.07Å; Y123-V309 HydrophobicContact CG-CB 4.29Å
124	P	95.4	Very high	98	Very high	88 Å²	88	36.7 Å²	36.7	57%	0.571	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-25.6	178	-27.1	35.6	0	0	0	114.3	G126	P124-G126 VanDerWaalsContact C-N 3.27Å; P124-G126 PolarHBondContact O-N 2.95Å
125	D	96	Very high	98	Very high	7 Å²	7	41.4 Å²	41.4	4%	0.037	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-10.5	179.8	58.4	63.3	0	0	0	114.7	Y123 G127 F308 V309 R320	Y123-D125 PolarHBondContact O-N 2.87Å; D125-G127 WeakPolarHBondContact OD1-CA 3.24Å; D125-G127 PolarHBondContact OD1-N 2.95Å; D125-F308 HydrophobicContact CB-CD2 3.52Å; D125-F308 HydrophobicContact CB-CE2 3.87Å; D125-F308 HydrophobicContact CB-CG 4.26Å; D125-F308 WeakPolarHBondContact OD1-CE2 3.39Å; D125-V309 PolarHBondContact OD2-N 2.85Å; D125-R320 PolarHBondContact O-NH2 3.33Å
126	G	97.1	Very high	97.9	Very high	30 Å²	30	43.1 Å²	43.1	31%	0.309	23%	0.228	S	C	.	.	S	Bend	trans	102.9	-12.8	-178.3	0	0	0	0	0	114.2	Y123 P124 Q151	Y123-G126 PolarHBondContact O-N 2.85Å; P124-G126 VanDerWaalsContact C-N 3.27Å; P124-G126 PolarHBondContact O-N 2.95Å; G126-Q151 PolarHBondContact O-OE1 3.09Å
127	G	98.3	Very high	97.9	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.21	C	C	.	.			trans	-66.7	160.9	170.6	0	0	0	0	0	112.3	Y123 D125 V147	Y123-G127 PolarHBondContact N-O 3.18Å; D125-G127 WeakPolarHBondContact OD1-CA 3.24Å; D125-G127 PolarHBondContact OD1-N 2.95Å; G127-V147 CarbonylContact C-O 3.6Å; G127-V147 WeakPolarHBondContact CA-O 3.43Å
128	S	98.6	Very high	98	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	148.6	175.5	49.4	0	0	0	0	113.2	I121 Y146 V147	I121-S128 CarbonylContact O-C 3.59Å; I121-S128 WeakPolarHBondContact O-CA 3.28Å; I121-S128 WeakPolarHBondContact O-CB 3.24Å; S128-Y146 CarbonylContact O-C 3.41Å; S128-Y146 WeakPolarHBondContact O-CA 3.32Å; S128-V147 PolarHBondContact N-O 2.99Å; S128-V147 PolarHBondContact O-N 3.11Å
129	L	98.7	Very high	98	Very high	4 Å²	4	40.6 Å²	40.6	2%	0.021	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	138.4	164.9	-79.2	174.7	0	0	0	109.8	W120 I121 Y123 I144 A145 Y146 F159	W120-L129 CarbonylContact C-O 3.56Å; W120-L129 WeakPolarHBondContact CA-O 3.29Å; I121-L129 HydrophobicContact CB-CB 4.29Å; I121-L129 PolarHBondContact N-O 3.18Å; I121-L129 PolarHBondContact O-N 2.87Å; Y123-L129 HydrophobicContact CE2-CD1 4.43Å; Y123-L129 HydrophobicContact CE2-CG 4.11Å; Y123-L129 WeakPolarHBondContact OH-CD1 3.26Å; L129-I144 HydrophobicContact CD2-CG2 4.5Å; L129-A145 CarbonylContact C-O 3.13Å; L129-A145 WeakPolarHBondContact CA-O 3.5Å; L129-Y146 HydrophobicContact CD2-CD2 4.34Å; L129-F159 HydrophobicContact CD2-CD1 3.99Å; L129-F159 HydrophobicContact CD2-CE1 3.62Å; L129-F159 HydrophobicContact CD2-CZ 4.37Å
130	V	98.8	Very high	98	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.006	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	138.1	176	61.2	0	0	0	0	111.3	V118 C119 W120 I144 A145 V147 P180 F182	V118-V130 HydrophobicContact CG1-CG2 4.01Å; C119-V130 WeakPolarHBondContact O-CA 3.39Å; C119-V130 WeakPolarHBondContact O-CG2 3.43Å; W120-V130 HydrophobicContact CD2-CB 3.76Å; W120-V130 HydrophobicContact CD2-CG2 3.56Å; W120-V130 HydrophobicContact CE3-CB 3.72Å; W120-V130 HydrophobicContact CE3-CG1 4.28Å; W120-V130 HydrophobicContact CE3-CG2 4.03Å; W120-V130 HydrophobicContact CG-CB 4.32Å; W120-V130 HydrophobicContact CG-CG2 3.97Å; W120-V130 HydrophobicContact CH2-CB 4.15Å; W120-V130 HydrophobicContact CH2-CG1 4.02Å; W120-V130 HydrophobicContact CH2-CG2 4.09Å; W120-V130 HydrophobicContact CZ2-CB 4.2Å; W120-V130 HydrophobicContact CZ2-CG1 4.39Å; W120-V130 HydrophobicContact CZ2-CG2 3.64Å; W120-V130 HydrophobicContact CZ3-CB 3.92Å; W120-V130 HydrophobicContact CZ3-CG1 3.96Å; W120-V130 HydrophobicContact CZ3-CG2 4.27Å; V130-I144 WeakPolarHBondContact O-CA 3.23Å; V130-A145 HydrophobicContact CG1-CB 3.96Å; V130-A145 PolarHBondContact N-O 2.95Å; V130-A145 PolarHBondContact O-N 3.12Å; V130-V147 HydrophobicContact CG1-CG2 3.99Å; V130-P180 HydrophobicContact CB-CG 4.47Å; V130-P180 HydrophobicContact CG1-CB 4.43Å; V130-P180 HydrophobicContact CG1-CG 3.96Å; V130-P180 HydrophobicContact CG2-CG 3.63Å; V130-F182 HydrophobicContact CG1-CE2 4.18Å; V130-F182 HydrophobicContact CG1-CZ 3.81Å
131	G	98.4	Very high	98	Very high	4 Å²	4	42.7 Å²	42.7	4%	0.041	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.8	170.1	177.8	0	0	0	0	0	112.3	V118 C119	V118-G131 WeakPolarHBondContact CA-O 3.26Å; C119-G131 PolarHBondContact N-O 2.93Å; C119-G131 PolarHBondContact O-N 2.89Å
132	E	98.3	Very high	98	Very high	137 Å²	137	46.9 Å²	46.9	64%	0.64	25%	0.251	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.8	119.1	162.4	-171.6	170.3	-167	0	0	108	G117 V118	G117-E132 WeakPolarHBondContact O-CA 3.32Å; V118-E132 HydrophobicContact CG2-CB 4.45Å
133	V	98.4	Very high	98	Very high	14 Å²	14	51.9 Å²	51.9	9%	0.085	27%	0.272	C	S	.	.			trans	-74.1	157.6	179.8	-62	0	0	0	0	111.4	R115 G117 C119 E138 M139	R115-V133 HydrophobicContact CB-CG2 4.24Å; R115-V133 VanDerWaalsContact O-CG2 3.25Å; R115-V133 WeakPolarHBondContact O-CG2 3.39Å; G117-V133 PolarHBondContact O-N 2.88Å; C119-V133 HydrophobicContact CB-CG1 3.94Å; V133-E138 CarbonylContact C-O 3.5Å; V133-E138 VanDerWaalsContact CA-O 3.24Å; V133-E138 WeakPolarHBondContact CA-O 3.36Å; V133-E138 WeakPolarHBondContact CB-O 3.47Å; V133-M139 HydrophobicContact CG1-CE 4.17Å; V133-M139 HydrophobicContact CG1-SD 3.99Å
134	N	98.3	Very high	98	Very high	40 Å²	40	49 Å²	49	21%	0.214	26%	0.261	C	S	.	.			trans	-75.7	-174.6	175.5	71.6	-1.8	0	0	0	112.1	D136 G137 E138	N134-D136 PolarHBondContact O-N 2.62Å; N134-D136 PolarHBondContact OD1-N 2.96Å; N134-D136 VanDerWaalsContact OD1-N 3.12Å; N134-G137 PolarHBondContact O-N 2.92Å; N134-G137 PolarHBondContact OD1-N 2.8Å; N134-G137 VanDerWaalsContact OD1-N 3.07Å; N134-E138 PolarHBondContact N-O 3.44Å; N134-E138 PolarHBondContact ND2-OE2 2.93Å; N134-E138 WeakPolarHBondContact OD1-CA 3.49Å; N134-E138 WeakPolarHBondContact OD1-CB 3.29Å; N134-E138 PolarHBondContact OD1-N 3.29Å; N134-E138 PolarHBondContact OD1-O 3.04Å
135	E	97.4	Very high	98.2	Very high	172 Å²	172	44.8 Å²	44.8	80%	0.804	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-22.2	179.7	62.2	-170.6	163.7	0	0	114.3
136	D	97.6	Very high	98.3	Very high	105 Å²	105	44.6 Å²	44.6	56%	0.561	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93	0.3	176.3	-59.2	-52.4	0	0	0	112.4	N134 E138	N134-D136 PolarHBondContact O-N 2.62Å; N134-D136 PolarHBondContact OD1-N 2.96Å; N134-D136 VanDerWaalsContact OD1-N 3.12Å; D136-E138 HydrophobicContact CB-CG 4.11Å
137	G	97.7	Very high	98.4	Very high	7 Å²	7	43.1 Å²	43.1	7%	0.072	22%	0.218	C	C	.	.	S	Bend	trans	80.6	14.6	179.8	0	0	0	0	0	114.9	R115 N134	R115-G137 WeakPolarHBondContact O-CA 3.34Å; N134-G137 PolarHBondContact O-N 2.92Å; N134-G137 PolarHBondContact OD1-N 2.8Å; N134-G137 VanDerWaalsContact OD1-N 3.07Å
138	E	98.3	Very high	98.4	Very high	75 Å²	75	43.1 Å²	43.1	35%	0.35	22%	0.218	S	C	.	.	S	Bend	trans	-91.2	155.4	-178.8	-52.8	168.8	158.3	0	0	111.8	V133 N134 D136 T140	V133-E138 CarbonylContact C-O 3.5Å; V133-E138 VanDerWaalsContact CA-O 3.24Å; V133-E138 WeakPolarHBondContact CA-O 3.36Å; V133-E138 WeakPolarHBondContact CB-O 3.47Å; N134-E138 PolarHBondContact N-O 3.44Å; N134-E138 PolarHBondContact ND2-OE2 2.93Å; N134-E138 WeakPolarHBondContact OD1-CA 3.49Å; N134-E138 WeakPolarHBondContact OD1-CB 3.29Å; N134-E138 PolarHBondContact OD1-N 3.29Å; N134-E138 PolarHBondContact OD1-O 3.04Å; D136-E138 HydrophobicContact CB-CG 4.11Å; E138-T140 PolarHBondContact O-N 3.07Å
139	M	98.3	Very high	98.4	Very high	7 Å²	7	44.6 Å²	44.6	3%	0.034	23%	0.227	C	C	.	.	S	Bend	trans	-77.4	64.8	174.1	-71.3	-67.1	-178.1	0	0	111.2	C119 I121 V133 I144 D161 G162	C119-M139 HydrophobicContact CB-CE 3.89Å; C119-M139 WeakPolarHBondContact O-CE 3.37Å; I121-M139 HydrophobicContact CD1-CE 3.68Å; I121-M139 HydrophobicContact CD1-CG 3.75Å; I121-M139 HydrophobicContact CG1-CE 3.78Å; V133-M139 HydrophobicContact CG1-CE 4.17Å; V133-M139 HydrophobicContact CG1-SD 3.99Å; M139-I144 HydrophobicContact CB-CD1 4.08Å; M139-I144 VanDerWaalsContact O-CD1 3.23Å; M139-I144 WeakPolarHBondContact O-CD1 3.34Å; M139-I144 HydrophobicContact SD-CD1 4.49Å; M139-I144 HydrophobicContact SD-CG2 4.47Å; M139-D161 PolarHBondContact O-N 2.91Å; M139-G162 PolarHBondContact O-N 2.75Å
140	T	98.7	Very high	98.4	Very high	41 Å²	41	46.6 Å²	46.6	25%	0.252	24%	0.238	S	C	.	.			trans	-119.3	115.8	-179.9	-61.8	0	0	0	0	111	E138 I144 F159 I160 D161	E138-T140 PolarHBondContact O-N 3.07Å; T140-I144 VanDerWaalsContact N-CD1 3.3Å; T140-F159 WeakPolarHBondContact CA-O 3.39Å; T140-I160 HydrophobicContact CG2-CG1 4.43Å; T140-I160 HydrophobicContact CG2-CG2 4.41Å; T140-D161 PolarHBondContact OG1-N 3.49Å
141	G	98.4	Very high	98.4	Very high	25 Å²	25	50.7 Å²	50.7	26%	0.258	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	170.2	171.3	-179.3	0	0	0	0	0	114.7	K143 K158 F159	G141-K143 VanDerWaalsContact C-N 3.34Å; G141-K158 WeakPolarHBondContact O-CA 3.11Å; G141-F159 PolarHBondContact N-O 2.81Å; G141-F159 PolarHBondContact O-N 3Å
142	E	98.4	Very high	98.4	Very high	123 Å²	123	57.1 Å²	57.1	58%	0.575	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.8	-2.8	-178.8	-61.3	-68.9	159.1	0	0	113.5	G157 K158	E142-G157 CarbonylContact C-O 3.56Å; E142-G157 CarbonylContact O-C 3.54Å; E142-K158 WeakPolarHBondContact OE1-CD 3.35Å; E142-K158 WeakPolarHBondContact OE1-CE 3.5Å; E142-K158 IonicContact OE1-NZ 2.65Å; E142-K158 PolarHBondContact OE1-NZ 2.89Å
143	K	98.3	Very high	98.4	Very high	149 Å²	149	50.9 Å²	50.9	65%	0.648	25%	0.251	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.3	48.4	-175	-65.2	-172.6	179.7	175.8	0	111.7	G141 Y156 G157	G141-K143 VanDerWaalsContact C-N 3.34Å; K143-Y156 HydrophobicContact CB-CE2 3.95Å; K143-Y156 WeakPolarHBondContact CB-OH 3.15Å; K143-Y156 VanDerWaalsContact CG-OH 3.29Å; K143-Y156 WeakPolarHBondContact CG-OH 3.41Å; K143-G157 PolarHBondContact N-O 2.92Å
144	I	98.8	Very high	98.4	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	147.7	176.1	-58.8	-170.5	0	0	0	108.1	L129 V130 M139 T140 Y156 G157 F159	L129-I144 HydrophobicContact CD2-CG2 4.5Å; V130-I144 WeakPolarHBondContact O-CA 3.23Å; M139-I144 HydrophobicContact CB-CD1 4.08Å; M139-I144 VanDerWaalsContact O-CD1 3.23Å; M139-I144 WeakPolarHBondContact O-CD1 3.34Å; M139-I144 HydrophobicContact SD-CD1 4.49Å; M139-I144 HydrophobicContact SD-CG2 4.47Å; T140-I144 VanDerWaalsContact N-CD1 3.3Å; I144-Y156 WeakPolarHBondContact O-CA 3.46Å; I144-Y156 WeakPolarHBondContact O-CD2 3.28Å; I144-G157 PolarHBondContact N-O 2.98Å; I144-G157 PolarHBondContact O-N 2.92Å; I144-G157 VanDerWaalsContact O-O 3.11Å; I144-F159 HydrophobicContact CB-CB 3.83Å; I144-F159 HydrophobicContact CB-CD2 3.63Å; I144-F159 HydrophobicContact CB-CE2 4.44Å; I144-F159 HydrophobicContact CB-CG 3.85Å; I144-F159 HydrophobicContact CD1-CB 4.09Å; I144-F159 HydrophobicContact CG1-CB 4.42Å; I144-F159 HydrophobicContact CG2-CB 3.82Å; I144-F159 HydrophobicContact CG2-CD1 4.13Å; I144-F159 HydrophobicContact CG2-CD2 3.76Å; I144-F159 HydrophobicContact CG2-CE2 4.38Å; I144-F159 HydrophobicContact CG2-CG 3.64Å; I144-F159 WeakPolarHBondContact O-CE2 3.31Å
145	A	98.8	Very high	98.4	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	140.8	177.3	0	0	0	0	0	111.5	L129 V130 V147 L155 Y156 F182	L129-A145 CarbonylContact C-O 3.13Å; L129-A145 WeakPolarHBondContact CA-O 3.5Å; V130-A145 HydrophobicContact CG1-CB 3.96Å; V130-A145 PolarHBondContact N-O 2.95Å; V130-A145 PolarHBondContact O-N 3.12Å; A145-V147 HydrophobicContact CB-CG2 4.41Å; A145-L155 VanDerWaalsContact CA-O 3.26Å; A145-L155 WeakPolarHBondContact CA-O 3.45Å; A145-Y156 HydrophobicContact CB-CD2 3.96Å; A145-F182 HydrophobicContact CB-CD2 4.32Å; A145-F182 HydrophobicContact CB-CE1 3.97Å; A145-F182 HydrophobicContact CB-CE2 3.49Å; A145-F182 VanDerWaalsContact CB-CE2 3.49Å; A145-F182 HydrophobicContact CB-CZ 3.28Å
146	Y	98.9	Very high	98.5	Very high	2 Å²	2	42.6 Å²	42.6	1%	0.008	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	131.8	150.4	178.6	-88.9	0	0	0	108.9	Y123 S128 L129 Y148 A154 L155 F308 V309 P311	Y123-Y146 HydrophobicContact CD2-CE2 4.14Å; Y123-Y146 HydrophobicContact CE2-CD2 4.35Å; Y123-Y146 HydrophobicContact CE2-CE2 4.06Å; S128-Y146 CarbonylContact O-C 3.41Å; S128-Y146 WeakPolarHBondContact O-CA 3.32Å; L129-Y146 HydrophobicContact CD2-CD2 4.34Å; Y146-Y148 HydrophobicContact CD1-CD2 4.03Å; Y146-Y148 HydrophobicContact CD1-CE2 4.16Å; Y146-Y148 HydrophobicContact CD1-CG 4.32Å; Y146-Y148 AromaticContact CE1-CD1 3.83Å; Y146-Y148 HydrophobicContact CE1-CD1 3.83Å; Y146-Y148 AromaticContact CE1-CD2 3.93Å; Y146-Y148 HydrophobicContact CE1-CD2 3.93Å; Y146-Y148 HydrophobicContact CE1-CE1 4.09Å; Y146-Y148 HydrophobicContact CE1-CE2 4.19Å; Y146-Y148 AromaticContact CE1-CG 3.75Å; Y146-Y148 HydrophobicContact CE1-CG 3.75Å; Y146-A154 CarbonylContact O-C 3.48Å; Y146-A154 WeakPolarHBondContact O-CA 3.32Å; Y146-A154 WeakPolarHBondContact O-CB 3.24Å; Y146-L155 PolarHBondContact N-O 3.47Å; Y146-L155 PolarHBondContact O-N 3.16Å; Y146-F308 WeakPolarHBondContact OH-CE1 3.44Å; Y146-F308 WeakPolarHBondContact OH-CZ 3.5Å; Y146-V309 PolarHBondContact OH-O 2.94Å; Y146-P311 HydrophobicContact CD1-CB 4.13Å; Y146-P311 HydrophobicContact CD1-CG 3.47Å; Y146-P311 VanDerWaalsContact CD1-CG 3.47Å; Y146-P311 HydrophobicContact CD2-CB 3.84Å; Y146-P311 HydrophobicContact CD2-CG 3.97Å; Y146-P311 HydrophobicContact CE1-CG 3.75Å; Y146-P311 HydrophobicContact CE2-CB 4.4Å; Y146-P311 HydrophobicContact CE2-CG 4.23Å; Y146-P311 HydrophobicContact CG-CB 3.68Å; Y146-P311 HydrophobicContact CG-CG 3.57Å; Y146-P311 VanDerWaalsContact CZ-CD 3.49Å
147	V	98.9	Very high	98.5	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	124.7	174.7	-174.8	0	0	0	0	107.9	W120 G127 S128 V130 A145 A154 L172 F182	W120-V147 HydrophobicContact CZ3-CG2 4.44Å; G127-V147 CarbonylContact C-O 3.6Å; G127-V147 WeakPolarHBondContact CA-O 3.43Å; S128-V147 PolarHBondContact N-O 2.99Å; S128-V147 PolarHBondContact O-N 3.11Å; V130-V147 HydrophobicContact CG1-CG2 3.99Å; A145-V147 HydrophobicContact CB-CG2 4.41Å; V147-A154 HydrophobicContact CG2-CB 4.23Å; V147-L172 HydrophobicContact CG1-CD2 4.31Å; V147-F182 HydrophobicContact CG2-CE1 3.97Å; V147-F182 HydrophobicContact CG2-CZ 3.9Å
148	Y	98.9	Very high	98.6	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.198	C	C	.	.			trans	-69.2	167.2	179.1	-76.6	-93.7	0	0	0	112	Y146 D150 Q151 T153 L155 D209 P210 Y211 F244 H310	Y146-Y148 HydrophobicContact CD1-CD2 4.03Å; Y146-Y148 HydrophobicContact CD1-CE2 4.16Å; Y146-Y148 HydrophobicContact CD1-CG 4.32Å; Y146-Y148 AromaticContact CE1-CD1 3.83Å; Y146-Y148 HydrophobicContact CE1-CD1 3.83Å; Y146-Y148 AromaticContact CE1-CD2 3.93Å; Y146-Y148 HydrophobicContact CE1-CD2 3.93Å; Y146-Y148 HydrophobicContact CE1-CE1 4.09Å; Y146-Y148 HydrophobicContact CE1-CE2 4.19Å; Y146-Y148 AromaticContact CE1-CG 3.75Å; Y146-Y148 HydrophobicContact CE1-CG 3.75Å; Y148-D150 PolarHBondContact O-N 2.92Å; Y148-Q151 PolarHBondContact O-N 2.88Å; Y148-T153 HydrophobicContact CD2-CG2 3.68Å; Y148-T153 WeakPolarHBondContact CD2-O 3.32Å; Y148-T153 HydrophobicContact CE2-CG2 4.05Å; Y148-T153 HydrophobicContact CG-CG2 4.39Å; Y148-T153 PolarHBondContact N-O 2.84Å; Y148-L155 HydrophobicContact CE2-CD1 4.25Å; Y148-L155 HydrophobicContact CE2-CD2 4.44Å; Y148-L155 HydrophobicContact CE2-CG 3.93Å; Y148-D209 PolarHBondContact OH-OD2 3.49Å; Y148-P210 HydrophobicContact CE2-CG 4.48Å; Y148-Y211 VanDerWaalsContact CB-CD2 3.4Å; Y148-Y211 VanDerWaalsContact CD1-CB 3.41Å; Y148-Y211 HydrophobicContact CD1-CD1 4.17Å; Y148-Y211 AromaticContact CD1-CD2 3.76Å; Y148-Y211 HydrophobicContact CD1-CD2 3.76Å; Y148-Y211 AromaticContact CD1-CG 3.53Å; Y148-Y211 HydrophobicContact CD1-CG 3.53Å; Y148-Y211 HydrophobicContact CE1-CG 4.08Å; Y148-Y211 AromaticContact CG-CD2 3.69Å; Y148-Y211 HydrophobicContact CG-CD2 3.69Å; Y148-Y211 HydrophobicContact CG-CE2 4.47Å; Y148-Y211 AromaticContact CG-CG 3.91Å; Y148-Y211 HydrophobicContact CG-CG 3.91Å; Y148-F244 HydrophobicContact CD1-CE2 4.45Å; Y148-F244 AromaticContact CD1-CZ 3.98Å; Y148-F244 HydrophobicContact CD1-CZ 3.98Å; Y148-F244 AromaticContact CE1-CE2 3.9Å; Y148-F244 HydrophobicContact CE1-CE2 3.9Å; Y148-F244 AromaticContact CE1-CZ 3.8Å; Y148-F244 HydrophobicContact CE1-CZ 3.8Å; Y148-H310 AromaticContact CE1-NE2 3.75Å
149	P	98.7	Very high	98.6	Very high	30 Å²	30	37.5 Å²	37.5	20%	0.195	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-10.4	-176.1	-25.4	33.2	0	0	0	116.6	Q151 V241 F308	P149-Q151 PolarHBondContact O-N 2.86Å; P149-V241 HydrophobicContact CB-CG2 4.36Å; P149-V241 HydrophobicContact CG-CB 4.36Å; P149-V241 HydrophobicContact CG-CG2 4.04Å; P149-F308 HydrophobicContact CG-CE2 3.72Å; P149-F308 HydrophobicContact CG-CZ 4.09Å
150	D	98.4	Very high	98.6	Very high	46 Å²	46	41.1 Å²	41.1	25%	0.246	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-0.7	173.2	65.3	1.3	0	0	0	113.6	Y148 R152 T153 Y211 R215	Y148-D150 PolarHBondContact O-N 2.92Å; D150-R152 PolarHBondContact O-N 2.9Å; D150-R152 VanDerWaalsContact O-N 3.12Å; D150-R152 PolarHBondContact OD1-N 3.12Å; D150-T153 PolarHBondContact OD1-N 2.79Å; D150-T153 WeakPolarHBondContact OD2-CB 3.12Å; D150-T153 PolarHBondContact OD2-N 2.8Å; D150-T153 PolarHBondContact OD2-OG1 2.79Å; D150-Y211 HydrophobicContact CB-CE2 3.85Å; D150-R215 VanDerWaalsContact CG-NH2 3.34Å; D150-R215 IonicContact OD2-CZ 3.34Å; D150-R215 IonicContact OD2-NH1 2.75Å; D150-R215 IonicContact OD2-NH2 3.56Å; D150-R215 PolarHBondContact OD2-NH2 3.29Å
151	Q	98	Very high	98.6	Very high	88 Å²	88	44.5 Å²	44.5	41%	0.411	22%	0.217	S	C	.	.	S	Bend	trans	54.5	27.2	-175.8	-57	-56.5	139.3	0	0	113.1	G126 Y148 P149	G126-Q151 PolarHBondContact O-OE1 3.09Å; Y148-Q151 PolarHBondContact O-N 2.88Å; P149-Q151 PolarHBondContact O-N 2.86Å
152	R	98.1	Very high	98.5	Very high	138 Å²	138	44.4 Å²	44.4	52%	0.521	22%	0.215	S	C	.	.	S	Bend	trans	-138.3	-55.5	-174	-177.3	177.3	-179.9	78.1	4.4	112	D150 T171 L172	D150-R152 PolarHBondContact O-N 2.9Å; D150-R152 VanDerWaalsContact O-N 3.12Å; D150-R152 PolarHBondContact OD1-N 3.12Å; R152-T171 HydrophobicContact CG-CG2 3.8Å; R152-T171 CarbonylContact O-C 3.53Å; R152-T171 WeakPolarHBondContact O-CA 3.46Å; R152-L172 PolarHBondContact O-N 2.91Å
153	T	98.6	Very high	98.5	Very high	6 Å²	6	42.9 Å²	42.9	4%	0.037	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	132	178.9	-53.8	0	0	0	0	108.4	Y148 D150 L169	Y148-T153 HydrophobicContact CD2-CG2 3.68Å; Y148-T153 WeakPolarHBondContact CD2-O 3.32Å; Y148-T153 HydrophobicContact CE2-CG2 4.05Å; Y148-T153 HydrophobicContact CG-CG2 4.39Å; Y148-T153 PolarHBondContact N-O 2.84Å; D150-T153 PolarHBondContact OD1-N 2.79Å; D150-T153 WeakPolarHBondContact OD2-CB 3.12Å; D150-T153 PolarHBondContact OD2-N 2.8Å; D150-T153 PolarHBondContact OD2-OG1 2.79Å; T153-L169 HydrophobicContact CG2-CD1 3.91Å
154	A	98.8	Very high	98.6	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	152.7	-178.1	0	0	0	0	0	112.9	Y146 V147 L169 A170 F182	Y146-A154 CarbonylContact O-C 3.48Å; Y146-A154 WeakPolarHBondContact O-CA 3.32Å; Y146-A154 WeakPolarHBondContact O-CB 3.24Å; V147-A154 HydrophobicContact CG2-CB 4.23Å; A154-L169 WeakPolarHBondContact O-CA 3.27Å; A154-A170 HydrophobicContact CB-CB 4.38Å; A154-A170 PolarHBondContact N-O 3.41Å; A154-A170 PolarHBondContact O-N 2.87Å; A154-F182 HydrophobicContact CB-CD1 3.89Å; A154-F182 HydrophobicContact CB-CE1 3.56Å
155	L	98.8	Very high	98.6	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	105.4	166.2	-58.4	-179.8	0	0	0	107.7	A145 Y146 Y148 M164 K168 L169 Y191 P210 P311	A145-L155 VanDerWaalsContact CA-O 3.26Å; A145-L155 WeakPolarHBondContact CA-O 3.45Å; Y146-L155 PolarHBondContact N-O 3.47Å; Y146-L155 PolarHBondContact O-N 3.16Å; Y148-L155 HydrophobicContact CE2-CD1 4.25Å; Y148-L155 HydrophobicContact CE2-CD2 4.44Å; Y148-L155 HydrophobicContact CE2-CG 3.93Å; L155-M164 HydrophobicContact CB-SD 3.69Å; L155-M164 HydrophobicContact CD1-CE 3.67Å; L155-M164 HydrophobicContact CD1-SD 3.58Å; L155-M164 VanDerWaalsContact CD1-SD 3.58Å; L155-M164 HydrophobicContact CG-SD 4.27Å; L155-K168 CarbonylContact C-O 3.59Å; L155-K168 WeakPolarHBondContact CA-O 3.28Å; L155-L169 HydrophobicContact CD2-CD1 4.48Å; L155-Y191 HydrophobicContact CD1-CG 4.28Å; L155-Y191 HydrophobicContact CD2-CD2 3.58Å; L155-Y191 HydrophobicContact CD2-CE2 3.99Å; L155-Y191 HydrophobicContact CD2-CG 4.05Å; L155-P210 HydrophobicContact CD2-CG 4.18Å; L155-P311 HydrophobicContact CD1-CB 4.5Å; L155-P311 HydrophobicContact CD1-CG 3.81Å
156	Y	98.7	Very high	98.5	Very high	53 Å²	53	42.7 Å²	42.7	21%	0.208	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	130.4	-172	176.1	-117.5	0	0	0	111.3	K143 I144 A145 K168 F182 L184	K143-Y156 HydrophobicContact CB-CE2 3.95Å; K143-Y156 WeakPolarHBondContact CB-OH 3.15Å; K143-Y156 VanDerWaalsContact CG-OH 3.29Å; K143-Y156 WeakPolarHBondContact CG-OH 3.41Å; I144-Y156 WeakPolarHBondContact O-CA 3.46Å; I144-Y156 WeakPolarHBondContact O-CD2 3.28Å; A145-Y156 HydrophobicContact CB-CD2 3.96Å; Y156-K168 PolarHBondContact N-O 2.82Å; Y156-K168 PolarHBondContact O-N 2.93Å; Y156-F182 HydrophobicContact CD1-CB 4.35Å; Y156-F182 AromaticContact CD2-CD2 3.75Å; Y156-F182 HydrophobicContact CD2-CD2 3.75Å; Y156-F182 HydrophobicContact CD2-CE2 4.15Å; Y156-F182 HydrophobicContact CD2-CG 4.36Å; Y156-F182 AromaticContact CE2-CD2 3.93Å; Y156-F182 HydrophobicContact CE2-CD2 3.93Å; Y156-F182 HydrophobicContact CE2-CE2 4.43Å; Y156-F182 HydrophobicContact CG-CB 4.35Å; Y156-F182 HydrophobicContact CG-CD2 4.17Å; Y156-F182 HydrophobicContact CG-CG 4.33Å; Y156-L184 HydrophobicContact CD1-CD2 4.02Å; Y156-L184 HydrophobicContact CD1-CG 4.39Å
157	G	98.4	Very high	98.5	Very high	12 Å²	12	42.6 Å²	42.6	12%	0.124	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	158.5	-131.5	176	0	0	0	0	0	112.6	E142 K143 I144 E166	E142-G157 CarbonylContact C-O 3.56Å; E142-G157 CarbonylContact O-C 3.54Å; K143-G157 PolarHBondContact N-O 2.92Å; I144-G157 PolarHBondContact N-O 2.98Å; I144-G157 PolarHBondContact O-N 2.92Å; I144-G157 VanDerWaalsContact O-O 3.11Å; G157-E166 CarbonylContact C-O 3.49Å; G157-E166 VanDerWaalsContact CA-O 3.3Å; G157-E166 WeakPolarHBondContact CA-O 3.43Å
158	K	98.8	Very high	98.5	Very high	66 Å²	66	46.2 Å²	46.2	29%	0.287	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	124.7	-171.7	-173	179.1	-175.3	135.3	0	112.3	G141 E142 I165 E166	G141-K158 WeakPolarHBondContact O-CA 3.11Å; E142-K158 WeakPolarHBondContact OE1-CD 3.35Å; E142-K158 WeakPolarHBondContact OE1-CE 3.5Å; E142-K158 IonicContact OE1-NZ 2.65Å; E142-K158 PolarHBondContact OE1-NZ 2.89Å; K158-I165 HydrophobicContact CB-CB 4.37Å; K158-I165 HydrophobicContact CD-CB 4.16Å; K158-I165 HydrophobicContact CD-CG2 4.07Å; K158-I165 HydrophobicContact CG-CB 4.07Å; K158-I165 PolarHBondContact O-N 3.05Å; K158-E166 HydrophobicContact CB-CB 4.06Å; K158-E166 PolarHBondContact N-O 3.26Å; K158-E166 PolarHBondContact O-N 2.98Å
159	F	98.9	Very high	98.5	Very high	1 Å²	1	47.6 Å²	47.6	0%	0.004	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	151.1	172.6	-70.5	-115.1	0	0	0	110.4	L129 T140 G141 I144 G162 E163 M164	L129-F159 HydrophobicContact CD2-CD1 3.99Å; L129-F159 HydrophobicContact CD2-CE1 3.62Å; L129-F159 HydrophobicContact CD2-CZ 4.37Å; T140-F159 WeakPolarHBondContact CA-O 3.39Å; G141-F159 PolarHBondContact N-O 2.81Å; G141-F159 PolarHBondContact O-N 3Å; I144-F159 HydrophobicContact CB-CB 3.83Å; I144-F159 HydrophobicContact CB-CD2 3.63Å; I144-F159 HydrophobicContact CB-CE2 4.44Å; I144-F159 HydrophobicContact CB-CG 3.85Å; I144-F159 HydrophobicContact CD1-CB 4.09Å; I144-F159 HydrophobicContact CG1-CB 4.42Å; I144-F159 HydrophobicContact CG2-CB 3.82Å; I144-F159 HydrophobicContact CG2-CD1 4.13Å; I144-F159 HydrophobicContact CG2-CD2 3.76Å; I144-F159 HydrophobicContact CG2-CE2 4.38Å; I144-F159 HydrophobicContact CG2-CG 3.64Å; I144-F159 WeakPolarHBondContact O-CE2 3.31Å; F159-G162 WeakPolarHBondContact CD1-O 3.48Å; F159-E163 CarbonylContact C-O 3.25Å; F159-E163 WeakPolarHBondContact CA-O 3.27Å; F159-E163 WeakPolarHBondContact CB-O 3.39Å; F159-M164 HydrophobicContact CD1-CB 3.96Å; F159-M164 HydrophobicContact CE1-CB 3.47Å; F159-M164 VanDerWaalsContact CE1-CB 3.47Å; F159-M164 HydrophobicContact CE1-CG 3.9Å; F159-M164 HydrophobicContact CE2-CB 4.39Å; F159-M164 HydrophobicContact CE2-CG 3.96Å; F159-M164 HydrophobicContact CZ-CB 3.7Å; F159-M164 HydrophobicContact CZ-CG 3.55Å; F159-M164 HydrophobicContact CZ-SD 3.89Å
160	I	98.7	Very high	98.5	Very high	83 Å²	83	46.2 Å²	46.2	43%	0.426	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	120.4	172.3	-62.1	175.9	0	0	0	106.9	T140 G162 E163 I165	T140-I160 HydrophobicContact CG2-CG1 4.43Å; T140-I160 HydrophobicContact CG2-CG2 4.41Å; I160-G162 PolarHBondContact O-N 3.24Å; I160-E163 PolarHBondContact N-O 2.87Å; I160-E163 WeakPolarHBondContact O-CB 3.38Å; I160-E163 PolarHBondContact O-N 3.46Å; I160-I165 HydrophobicContact CB-CD1 4.44Å; I160-I165 HydrophobicContact CB-CG1 4.19Å; I160-I165 HydrophobicContact CD1-CD1 4.3Å; I160-I165 HydrophobicContact CD1-CG1 3.89Å; I160-I165 HydrophobicContact CG1-CD1 4.44Å; I160-I165 HydrophobicContact CG1-CG1 3.8Å
161	D	97.6	Very high	98.5	Very high	113 Å²	113	45.6 Å²	45.6	60%	0.604	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.5	41.3	-175.7	-165.9	25.3	0	0	0	113	M139 T140 E163	M139-D161 PolarHBondContact O-N 2.91Å; T140-D161 PolarHBondContact OG1-N 3.49Å; D161-E163 PolarHBondContact O-N 3.01Å
162	G	97.6	Very high	98.5	Very high	22 Å²	22	42.2 Å²	42.2	23%	0.227	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.9	-5.6	-177.6	0	0	0	0	0	115.5	M139 F159 I160	M139-G162 PolarHBondContact O-N 2.75Å; F159-G162 WeakPolarHBondContact CD1-O 3.48Å; I160-G162 PolarHBondContact O-N 3.24Å
163	E	98.7	Very high	98.5	Very high	92 Å²	92	40.5 Å²	40.5	43%	0.43	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	129.4	172.6	-168.1	177.2	111.8	0	0	110.9	F159 I160 D161 I165 F193	F159-E163 CarbonylContact C-O 3.25Å; F159-E163 WeakPolarHBondContact CA-O 3.27Å; F159-E163 WeakPolarHBondContact CB-O 3.39Å; I160-E163 PolarHBondContact N-O 2.87Å; I160-E163 WeakPolarHBondContact O-CB 3.38Å; I160-E163 PolarHBondContact O-N 3.46Å; D161-E163 PolarHBondContact O-N 3.01Å; E163-I165 PolarHBondContact O-N 3.49Å; E163-F193 HydrophobicContact CG-CB 3.5Å; E163-F193 VanDerWaalsContact CG-CB 3.5Å; E163-F193 HydrophobicContact CG-CD1 3.69Å; E163-F193 HydrophobicContact CG-CD2 4.33Å; E163-F193 HydrophobicContact CG-CE1 4.46Å; E163-F193 HydrophobicContact CG-CG 3.6Å; E163-F193 WeakPolarHBondContact OE2-CD1 3.42Å
164	M	98.8	Very high	98.4	Very high	2 Å²	2	42.2 Å²	42.2	1%	0.01	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	113	-178.3	-173.7	171	60.7	0	0	111.3	L155 F159 H192 F193 P311 R312	L155-M164 HydrophobicContact CB-SD 3.69Å; L155-M164 HydrophobicContact CD1-CE 3.67Å; L155-M164 HydrophobicContact CD1-SD 3.58Å; L155-M164 VanDerWaalsContact CD1-SD 3.58Å; L155-M164 HydrophobicContact CG-SD 4.27Å; F159-M164 HydrophobicContact CD1-CB 3.96Å; F159-M164 HydrophobicContact CE1-CB 3.47Å; F159-M164 VanDerWaalsContact CE1-CB 3.47Å; F159-M164 HydrophobicContact CE1-CG 3.9Å; F159-M164 HydrophobicContact CE2-CB 4.39Å; F159-M164 HydrophobicContact CE2-CG 3.96Å; F159-M164 HydrophobicContact CZ-CB 3.7Å; F159-M164 HydrophobicContact CZ-CG 3.55Å; F159-M164 HydrophobicContact CZ-SD 3.89Å; M164-H192 CarbonylContact O-C 3.46Å; M164-H192 WeakPolarHBondContact O-CA 3.37Å; M164-F193 PolarHBondContact O-N 2.97Å; M164-P311 HydrophobicContact CE-CB 4.04Å; M164-P311 HydrophobicContact CE-CG 4.45Å; M164-P311 HydrophobicContact SD-CB 4.28Å; M164-R312 HydrophobicContact CE-CB 4.24Å
165	I	98.7	Very high	98.2	Very high	65 Å²	65	45.7 Å²	45.7	33%	0.333	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	-43.6	176.9	-52.4	-55.1	0	0	0	111.2	K158 I160 E163 H192	K158-I165 HydrophobicContact CB-CB 4.37Å; K158-I165 HydrophobicContact CD-CB 4.16Å; K158-I165 HydrophobicContact CD-CG2 4.07Å; K158-I165 HydrophobicContact CG-CB 4.07Å; K158-I165 PolarHBondContact O-N 3.05Å; I160-I165 HydrophobicContact CB-CD1 4.44Å; I160-I165 HydrophobicContact CB-CG1 4.19Å; I160-I165 HydrophobicContact CD1-CD1 4.3Å; I160-I165 HydrophobicContact CD1-CG1 3.89Å; I160-I165 HydrophobicContact CG1-CD1 4.44Å; I160-I165 HydrophobicContact CG1-CG1 3.8Å; E163-I165 PolarHBondContact O-N 3.49Å; I165-H192 WeakPolarHBondContact O-CB 3.5Å
166	E	98.4	Very high	98	Very high	78 Å²	78	51.5 Å²	51.5	36%	0.364	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	92.3	177.3	-169	-172	131.4	0	0	110.1	G157 K158 K168 V190	G157-E166 CarbonylContact C-O 3.49Å; G157-E166 VanDerWaalsContact CA-O 3.3Å; G157-E166 WeakPolarHBondContact CA-O 3.43Å; K158-E166 HydrophobicContact CB-CB 4.06Å; K158-E166 PolarHBondContact N-O 3.26Å; K158-E166 PolarHBondContact O-N 2.98Å; E166-K168 WeakPolarHBondContact OE1-CE 3.5Å; E166-K168 IonicContact OE1-NZ 2.69Å; E166-K168 PolarHBondContact OE1-NZ 2.8Å; E166-V190 HydrophobicContact CB-CG1 4.44Å; E166-V190 HydrophobicContact CG-CG1 3.49Å; E166-V190 VanDerWaalsContact CG-CG1 3.49Å; E166-V190 HydrophobicContact CG-CG2 4.43Å
167	G	98.4	Very high	97.6	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	127.3	175.1	0	0	0	0	0	111.7	V190 Y191	G167-V190 WeakPolarHBondContact O-CA 3.17Å; G167-Y191 PolarHBondContact N-O 3.27Å; G167-Y191 PolarHBondContact O-N 3.12Å
168	K	98.5	Very high	97.1	Very high	75 Å²	75	58 Å²	58	33%	0.326	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	142.8	170.9	-71.7	169.9	-176.8	143.1	0	109.6	L155 Y156 E166 A170 L184 V190	L155-K168 CarbonylContact C-O 3.59Å; L155-K168 WeakPolarHBondContact CA-O 3.28Å; Y156-K168 PolarHBondContact N-O 2.82Å; Y156-K168 PolarHBondContact O-N 2.93Å; E166-K168 WeakPolarHBondContact OE1-CE 3.5Å; E166-K168 IonicContact OE1-NZ 2.69Å; E166-K168 PolarHBondContact OE1-NZ 2.8Å; K168-A170 PolarHBondContact O-N 2.84Å; K168-L184 HydrophobicContact CB-CD2 3.69Å; K168-V190 HydrophobicContact CG-CG2 4.1Å
169	L	98.4	Very high	97	Very high	30 Å²	30	60.7 Å²	60.7	16%	0.157	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	130	176.5	-177.5	60.3	0	0	0	110	T153 A154 L155 T185 S188 Y191 P210	T153-L169 HydrophobicContact CG2-CD1 3.91Å; A154-L169 WeakPolarHBondContact O-CA 3.27Å; L155-L169 HydrophobicContact CD2-CD1 4.48Å; L169-T185 HydrophobicContact CD2-CG2 4.26Å; L169-T185 PolarHBondContact O-N 3.07Å; L169-S188 PolarHBondContact N-OG 3.05Å; L169-Y191 HydrophobicContact CB-CE2 4.48Å; L169-P210 HydrophobicContact CD1-CB 3.64Å; L169-P210 HydrophobicContact CD1-CG 3.79Å; L169-P210 HydrophobicContact CD2-CB 3.88Å; L169-P210 HydrophobicContact CG-CB 4.35Å
170	A	98.4	Very high	96.9	Very high	1 Å²	1	62 Å²	62	1%	0.008	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	163.7	178.7	0	0	0	0	0	110.6	A154 K168 F182 E183 L184	A154-A170 HydrophobicContact CB-CB 4.38Å; A154-A170 PolarHBondContact N-O 3.41Å; A154-A170 PolarHBondContact O-N 2.87Å; K168-A170 PolarHBondContact O-N 2.84Å; A170-F182 HydrophobicContact CB-CB 4.2Å; A170-F182 HydrophobicContact CB-CD1 4.38Å; A170-E183 CarbonylContact C-O 3.51Å; A170-E183 WeakPolarHBondContact CA-O 3.36Å; A170-E183 WeakPolarHBondContact CB-O 3.37Å; A170-L184 HydrophobicContact CB-CD2 4.22Å
171	T	98.4	Very high	96.9	Very high	33 Å²	33	62.1 Å²	62.1	20%	0.202	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	129	170.1	-57.3	0	0	0	0	109.3	R152 M173 F182 E183	R152-T171 HydrophobicContact CG-CG2 3.8Å; R152-T171 CarbonylContact O-C 3.53Å; R152-T171 WeakPolarHBondContact O-CA 3.46Å; T171-M173 HydrophobicContact CG2-SD 3.63Å; T171-M173 PolarHBondContact O-N 2.99Å; T171-F182 WeakPolarHBondContact O-CA 3.33Å; T171-E183 PolarHBondContact N-O 3.37Å; T171-E183 PolarHBondContact O-N 2.83Å
172	L	98.3	Very high	96.9	Very high	16 Å²	16	58.8 Å²	58.8	8%	0.084	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	110.8	166.9	-179.4	57.5	0	0	0	109	W120 V147 R152 A174 P180 F182	W120-L172 HydrophobicContact CH2-CD2 4.13Å; V147-L172 HydrophobicContact CG1-CD2 4.31Å; R152-L172 PolarHBondContact O-N 2.91Å; L172-A174 WeakPolarHBondContact CD1-O 3.37Å; L172-P180 HydrophobicContact CD1-CB 3.52Å; L172-F182 HydrophobicContact CB-CD1 4.07Å; L172-F182 HydrophobicContact CB-CE1 3.78Å; L172-F182 HydrophobicContact CD1-CD1 4.14Å; L172-F182 HydrophobicContact CD1-CE1 3.77Å; L172-F182 HydrophobicContact CD1-CZ 4.09Å; L172-F182 HydrophobicContact CG-CE1 4.26Å
173	M	98	Very high	96.9	Very high	102 Å²	102	63.1 Å²	63.1	50%	0.502	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	-38.9	-174.6	-63.2	-57.8	-77.5	0	0	112.4	T171 H181 E183	T171-M173 HydrophobicContact CG2-SD 3.63Å; T171-M173 PolarHBondContact O-N 2.99Å; M173-H181 PolarHBondContact N-O 3.1Å; M173-E183 HydrophobicContact CG-CB 3.78Å; M173-E183 HydrophobicContact SD-CB 4.32Å
174	A	96.2	Very high	96.8	Very high	42 Å²	42	62.9 Å²	62.9	35%	0.347	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.5	161.4	-179.2	0	0	0	0	0	111.2	L172 H181	L172-A174 WeakPolarHBondContact CD1-O 3.37Å; A174-H181 PolarHBondContact O-N 3Å
175	T	95.4	Very high	96.6	Very high	73 Å²	73	65.5 Å²	65.5	45%	0.448	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	115.7	168.9	-55.2	0	0	0	0	108.5	W120 R179	W120-T175 HydrophobicContact CZ2-CG2 4.14Å; T175-R179 CarbonylContact C-O 3.42Å; T175-R179 WeakPolarHBondContact CA-O 3.41Å
176	E	94.1	Very high	96.1	Very high	122 Å²	122	68.2 Å²	68.2	57%	0.57	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.5	118.4	179	-60.7	-175.6	171.8	0	0	108.7	G178 R179 H181	E176-G178 PolarHBondContact O-N 2.98Å; E176-G178 VanDerWaalsContact O-N 3.09Å; E176-R179 PolarHBondContact N-O 2.8Å; E176-R179 WeakPolarHBondContact O-CB 3.46Å; E176-R179 PolarHBondContact O-N 2.88Å; E176-H181 IonicContact OE2-CE1 2.79Å
177	E	90.5	Very high	95.7	Very high	175 Å²	175	68.8 Å²	68.8	82%	0.818	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.2	33.6	-177.7	-56.6	178.2	167.3	0	0	113.6	R179	E177-R179 VanDerWaalsContact C-N 3.33Å; E177-R179 IonicContact OE2-NH2 3.1Å; E177-R179 PolarHBondContact OE2-NH2 2.94Å
178	G	89.2	Confident	95.1	Very high	26 Å²	26	70.3 Å²	70.3	27%	0.268	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.3	-3.2	-177.2	0	0	0	0	0	115.1	W120 E176	W120-G178 PolarHBondContact NE1-O 3Å; E176-G178 PolarHBondContact O-N 2.98Å; E176-G178 VanDerWaalsContact O-N 3.09Å
179	R	95.4	Very high	94.8	Very high	124 Å²	124	69.5 Å²	69.5	47%	0.468	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	122.4	175.3	-67.2	177.8	-102.7	-99.5	-3.1	111.1	V118 T175 E176 E177	V118-R179 HydrophobicContact CB-CG 4.32Å; V118-R179 HydrophobicContact CG2-CG 4.02Å; T175-R179 CarbonylContact C-O 3.42Å; T175-R179 WeakPolarHBondContact CA-O 3.41Å; E176-R179 PolarHBondContact N-O 2.8Å; E176-R179 WeakPolarHBondContact O-CB 3.46Å; E176-R179 PolarHBondContact O-N 2.88Å; E177-R179 VanDerWaalsContact C-N 3.33Å; E177-R179 IonicContact OE2-NH2 3.1Å; E177-R179 PolarHBondContact OE2-NH2 2.94Å
180	P	97.3	Very high	94.7	Very high	28 Å²	28	71 Å²	71	18%	0.182	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	144.5	178.9	33.5	-37.6	0	0	0	112	W120 V130 L172 F182	W120-P180 HydrophobicContact CH2-CB 4.18Å; W120-P180 HydrophobicContact CZ2-CB 3.98Å; W120-P180 HydrophobicContact CZ2-CG 4.27Å; V130-P180 HydrophobicContact CB-CG 4.47Å; V130-P180 HydrophobicContact CG1-CB 4.43Å; V130-P180 HydrophobicContact CG1-CG 3.96Å; V130-P180 HydrophobicContact CG2-CG 3.63Å; L172-P180 HydrophobicContact CD1-CB 3.52Å; P180-F182 HydrophobicContact CB-CD2 4.22Å; P180-F182 HydrophobicContact CB-CE2 3.5Å; P180-F182 HydrophobicContact CB-CZ 3.67Å; P180-F182 HydrophobicContact CG-CD2 4.35Å; P180-F182 HydrophobicContact CG-CE2 3.52Å; P180-F182 HydrophobicContact CG-CZ 4.04Å
181	H	97.9	Very high	94.7	Very high	86 Å²	86	71.6 Å²	71.6	40%	0.398	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	112.2	172.1	-69	86.1	0	0	0	109.7	M173 A174 E176	M173-H181 PolarHBondContact N-O 3.1Å; A174-H181 PolarHBondContact O-N 3Å; E176-H181 IonicContact OE2-CE1 2.79Å
182	F	97.9	Very high	94.8	Very high	42 Å²	42	72.9 Å²	72.9	18%	0.184	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	139.1	-178.4	-64.2	-72.5	0	0	0	112	V130 A145 V147 A154 Y156 A170 T171 L172 P180	V130-F182 HydrophobicContact CG1-CE2 4.18Å; V130-F182 HydrophobicContact CG1-CZ 3.81Å; A145-F182 HydrophobicContact CB-CD2 4.32Å; A145-F182 HydrophobicContact CB-CE1 3.97Å; A145-F182 HydrophobicContact CB-CE2 3.49Å; A145-F182 VanDerWaalsContact CB-CE2 3.49Å; A145-F182 HydrophobicContact CB-CZ 3.28Å; V147-F182 HydrophobicContact CG2-CE1 3.97Å; V147-F182 HydrophobicContact CG2-CZ 3.9Å; A154-F182 HydrophobicContact CB-CD1 3.89Å; A154-F182 HydrophobicContact CB-CE1 3.56Å; Y156-F182 HydrophobicContact CD1-CB 4.35Å; Y156-F182 AromaticContact CD2-CD2 3.75Å; Y156-F182 HydrophobicContact CD2-CD2 3.75Å; Y156-F182 HydrophobicContact CD2-CE2 4.15Å; Y156-F182 HydrophobicContact CD2-CG 4.36Å; Y156-F182 AromaticContact CE2-CD2 3.93Å; Y156-F182 HydrophobicContact CE2-CD2 3.93Å; Y156-F182 HydrophobicContact CE2-CE2 4.43Å; Y156-F182 HydrophobicContact CG-CB 4.35Å; Y156-F182 HydrophobicContact CG-CD2 4.17Å; Y156-F182 HydrophobicContact CG-CG 4.33Å; A170-F182 HydrophobicContact CB-CB 4.2Å; A170-F182 HydrophobicContact CB-CD1 4.38Å; T171-F182 WeakPolarHBondContact O-CA 3.33Å; L172-F182 HydrophobicContact CB-CD1 4.07Å; L172-F182 HydrophobicContact CB-CE1 3.78Å; L172-F182 HydrophobicContact CD1-CD1 4.14Å; L172-F182 HydrophobicContact CD1-CE1 3.77Å; L172-F182 HydrophobicContact CD1-CZ 4.09Å; L172-F182 HydrophobicContact CG-CE1 4.26Å; P180-F182 HydrophobicContact CB-CD2 4.22Å; P180-F182 HydrophobicContact CB-CE2 3.5Å; P180-F182 HydrophobicContact CB-CZ 3.67Å; P180-F182 HydrophobicContact CG-CD2 4.35Å; P180-F182 HydrophobicContact CG-CE2 3.52Å; P180-F182 HydrophobicContact CG-CZ 4.04Å
183	E	98	Very high	94.8	Very high	114 Å²	114	75.3 Å²	75.3	53%	0.533	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	119.9	166.5	-175.5	171.6	-154.4	0	0	109.2	A170 T171 M173	A170-E183 CarbonylContact C-O 3.51Å; A170-E183 WeakPolarHBondContact CA-O 3.36Å; A170-E183 WeakPolarHBondContact CB-O 3.37Å; T171-E183 PolarHBondContact N-O 3.37Å; T171-E183 PolarHBondContact O-N 2.83Å; M173-E183 HydrophobicContact CG-CB 3.78Å; M173-E183 HydrophobicContact SD-CB 4.32Å
184	L	96.9	Very high	94.8	Very high	86 Å²	86	71.5 Å²	71.5	45%	0.45	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	134.8	178.6	-77.4	171.1	0	0	0	111	Y156 K168 A170 S186	Y156-L184 HydrophobicContact CD1-CD2 4.02Å; Y156-L184 HydrophobicContact CD1-CG 4.39Å; K168-L184 HydrophobicContact CB-CD2 3.69Å; A170-L184 HydrophobicContact CB-CD2 4.22Å; L184-S186 PolarHBondContact O-N 3.06Å
185	T	94.1	Very high	94.9	Very high	58 Å²	58	74.1 Å²	74.1	36%	0.356	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-75.2	118.5	173.8	-59.5	0	0	0	0	109.6	L169 G187 S188	L169-T185 HydrophobicContact CD2-CG2 4.26Å; L169-T185 PolarHBondContact O-N 3.07Å; T185-G187 PolarHBondContact O-N 3.07Å; T185-S188 VanDerWaalsContact O-CB 3.31Å; T185-S188 WeakPolarHBondContact O-CB 3.34Å; T185-S188 PolarHBondContact O-N 3.34Å; T185-S188 PolarHBondContact O-OG 3.25Å
186	S	89.1	Confident	95.1	Very high	122 Å²	122	71 Å²	71	85%	0.853	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	129.5	-177.7	-71.4	0	0	0	0	112	L184 S188	L184-S186 PolarHBondContact O-N 3.06Å; S186-S188 PolarHBondContact O-N 3.24Å
187	G	88.7	Confident	95.3	Very high	90 Å²	90	68.3 Å²	68.3	93%	0.928	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.4	15.2	179.8	0	0	0	0	0	114.4	T185	T185-G187 PolarHBondContact O-N 3.07Å
188	S	87.3	Confident	95.7	Very high	31 Å²	31	63.8 Å²	63.8	22%	0.217	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-62.3	147.5	177.6	66.8	0	0	0	0	112.4	L169 T185 S186	L169-S188 PolarHBondContact N-OG 3.05Å; T185-S188 VanDerWaalsContact O-CB 3.31Å; T185-S188 WeakPolarHBondContact O-CB 3.34Å; T185-S188 PolarHBondContact O-N 3.34Å; T185-S188 PolarHBondContact O-OG 3.25Å; S186-S188 PolarHBondContact O-N 3.24Å
189	S	91.5	Very high	96	Very high	58 Å²	58	67.1 Å²	67.1	41%	0.406	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-58.7	157.4	164.8	-58.9	0	0	0	0	111.6	Y191 L207	S189-Y191 WeakPolarHBondContact O-CE2 3.21Å; S189-L207 WeakPolarHBondContact OG-CD1 3.1Å
190	V	97	Very high	96.1	Very high	63 Å²	63	63.9 Å²	63.9	38%	0.382	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	137.3	170.9	171.8	0	0	0	0	108.2	E166 G167 K168	E166-V190 HydrophobicContact CB-CG1 4.44Å; E166-V190 HydrophobicContact CG-CG1 3.49Å; E166-V190 VanDerWaalsContact CG-CG1 3.49Å; E166-V190 HydrophobicContact CG-CG2 4.43Å; G167-V190 WeakPolarHBondContact O-CA 3.17Å; K168-V190 HydrophobicContact CG-CG2 4.1Å
191	Y	98.6	Very high	96.2	Very high	13 Å²	13	62.5 Å²	62.5	5%	0.051	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	148.6	177	-57.5	-94.7	0	0	0	108.8	L155 G167 L169 S189 L207 P208 P210	L155-Y191 HydrophobicContact CD1-CG 4.28Å; L155-Y191 HydrophobicContact CD2-CD2 3.58Å; L155-Y191 HydrophobicContact CD2-CE2 3.99Å; L155-Y191 HydrophobicContact CD2-CG 4.05Å; G167-Y191 PolarHBondContact N-O 3.27Å; G167-Y191 PolarHBondContact O-N 3.12Å; L169-Y191 HydrophobicContact CB-CE2 4.48Å; S189-Y191 WeakPolarHBondContact O-CE2 3.21Å; Y191-L207 HydrophobicContact CD1-CD2 3.92Å; Y191-L207 HydrophobicContact CD1-CG 4.41Å; Y191-L207 HydrophobicContact CE1-CD1 4.14Å; Y191-L207 HydrophobicContact CE1-CD2 3.85Å; Y191-L207 HydrophobicContact CE1-CG 3.87Å; Y191-P208 PolarHBondContact OH-O 3.45Å; Y191-P210 HydrophobicContact CE1-CG 4.45Å; Y191-P210 HydrophobicContact CE2-CG 4.38Å
192	H	98.8	Very high	96.2	Very high	60 Å²	60	58.9 Å²	58.9	28%	0.278	36%	0.362	S	S	.	.			trans	-141.1	163.5	174.6	58.6	-78.9	0	0	0	108.9	M164 I165 D194 S203 D204 R312	M164-H192 CarbonylContact O-C 3.46Å; M164-H192 WeakPolarHBondContact O-CA 3.37Å; I165-H192 WeakPolarHBondContact O-CB 3.5Å; H192-D194 PolarHBondContact O-N 3.26Å; H192-S203 PolarHBondContact CE1-OG 2.8Å; H192-S203 PolarHBondContact NE2-OG 3.32Å; H192-D204 IonicContact CE1-OD2 2.88Å; H192-R312 WeakPolarHBondContact O-CG 3.38Å
193	F	98.8	Very high	96.2	Very high	66 Å²	66	60 Å²	60	29%	0.289	37%	0.374	S	S	.	.			trans	-63.2	120.7	170.5	-178.2	-108.4	0	0	0	109.3	E163 M164 K195	E163-F193 HydrophobicContact CG-CB 3.5Å; E163-F193 VanDerWaalsContact CG-CB 3.5Å; E163-F193 HydrophobicContact CG-CD1 3.69Å; E163-F193 HydrophobicContact CG-CD2 4.33Å; E163-F193 HydrophobicContact CG-CE1 4.46Å; E163-F193 HydrophobicContact CG-CG 3.6Å; E163-F193 WeakPolarHBondContact OE2-CD1 3.42Å; M164-F193 PolarHBondContact O-N 2.97Å; F193-K195 HydrophobicContact CE1-CB 3.94Å; F193-K195 HydrophobicContact CE2-CB 4.11Å; F193-K195 HydrophobicContact CZ-CB 3.59Å; F193-K195 HydrophobicContact CZ-CD 4.14Å; F193-K195 HydrophobicContact CZ-CG 4.43Å
194	D	98.7	Very high	96.2	Very high	23 Å²	23	57.9 Å²	57.9	12%	0.123	37%	0.367	C	S	.	.			trans	-144.6	60.6	-170.6	179.1	42.1	0	0	0	108.1	H192 S196 S202 S203 R312	H192-D194 PolarHBondContact O-N 3.26Å; D194-S196 PolarHBondContact O-N 2.87Å; D194-S202 WeakPolarHBondContact OD2-CA 3.38Å; D194-S202 WeakPolarHBondContact OD2-CB 3.33Å; D194-S202 PolarHBondContact OD2-OG 2.72Å; D194-S203 VanDerWaalsContact CG-OG 3.24Å; D194-S203 PolarHBondContact OD1-N 2.98Å; D194-S203 PolarHBondContact OD1-OG 3.15Å; D194-S203 PolarHBondContact OD2-N 2.79Å; D194-S203 PolarHBondContact OD2-OG 2.81Å; D194-R312 CarbonylContact C-O 3.44Å; D194-R312 VanDerWaalsContact C-O 3.25Å; D194-R312 HydrophobicContact CB-CG 4.21Å; D194-R312 PolarHBondContact N-O 3.02Å
195	K	98.8	Very high	96.3	Very high	96 Å²	96	54.7 Å²	54.7	42%	0.417	35%	0.353	S	S	.	.			trans	-64	128.4	176.2	-175.8	178.4	-178.6	-178.7	0	109.5	F193	F193-K195 HydrophobicContact CE1-CB 3.94Å; F193-K195 HydrophobicContact CE2-CB 4.11Å; F193-K195 HydrophobicContact CZ-CB 3.59Å; F193-K195 HydrophobicContact CZ-CD 4.14Å; F193-K195 HydrophobicContact CZ-CG 4.43Å
196	S	98.8	Very high	96.5	Very high	7 Å²	7	56.9 Å²	56.9	5%	0.049	36%	0.362	C	S	.	.			trans	-61.5	158.6	176.7	61.3	0	0	0	0	113.2	D194 C200 I201 G247 R249	D194-S196 PolarHBondContact O-N 2.87Å; S196-C200 CarbonylContact C-O 3.38Å; S196-C200 VanDerWaalsContact CA-O 3.31Å; S196-C200 WeakPolarHBondContact CA-O 3.44Å; S196-C200 WeakPolarHBondContact CB-O 3.25Å; S196-I201 WeakPolarHBondContact CB-O 3.25Å; S196-G247 WeakPolarHBondContact CB-O 3.35Å; S196-G247 PolarHBondContact OG-O 3.29Å; S196-R249 WeakPolarHBondContact O-CD 3.41Å; S196-R249 PolarHBondContact OG-NE 2.89Å
197	T	98.6	Very high	96.9	Very high	67 Å²	67	52.4 Å²	52.4	41%	0.411	33%	0.328	S	S	.	.			trans	-116.2	-173.2	172.1	71.3	0	0	0	0	110	S199 C200 V248 R249	T197-S199 PolarHBondContact O-N 2.92Å; T197-S199 PolarHBondContact OG1-N 2.78Å; T197-C200 PolarHBondContact N-O 2.81Å; T197-C200 PolarHBondContact OG1-N 2.99Å; T197-V248 CarbonylContact O-C 3.49Å; T197-V248 VanDerWaalsContact O-CA 3.24Å; T197-V248 WeakPolarHBondContact O-CA 3.46Å; T197-V248 VanDerWaalsContact O-CB 3.32Å; T197-V248 WeakPolarHBondContact O-CB 3.16Å; T197-R249 PolarHBondContact O-N 2.76Å
198	S	97.7	Very high	97.4	Very high	79 Å²	79	50.5 Å²	50.5	55%	0.552	30%	0.3	S	S	*	.	S	Bend	trans	-65.7	-14	172.7	57.5	0	0	0	0	114.4	R249	S198-R249 WeakPolarHBondContact CA-O 3.25Å; S198-R249 VanDerWaalsContact CB-O 3.28Å; S198-R249 WeakPolarHBondContact CB-O 3.38Å
199	S	96.3	Very high	98	Very high	97 Å²	97	49 Å²	49	68%	0.678	29%	0.289	S	S	*	.	S	Bend	trans	-133.3	-15.2	-173.6	53.7	0	0	0	0	114.6	T197	T197-S199 PolarHBondContact O-N 2.92Å; T197-S199 PolarHBondContact OG1-N 2.78Å
200	C	98.2	Very high	98.3	Very high	55 Å²	55	46.7 Å²	46.7	37%	0.372	27%	0.273	S	S	.	.			trans	-118.7	115.4	176.9	-171	0	0	0	0	109.3	S196 T197	S196-C200 CarbonylContact C-O 3.38Å; S196-C200 VanDerWaalsContact CA-O 3.31Å; S196-C200 WeakPolarHBondContact CA-O 3.44Å; S196-C200 WeakPolarHBondContact CB-O 3.25Å; T197-C200 PolarHBondContact N-O 2.81Å; T197-C200 PolarHBondContact OG1-N 2.99Å
201	I	98.6	Very high	98.4	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	26%	0.255	C	S	.	.	S	Bend	trans	-77.4	-35.1	-179.6	-166.9	167.2	0	0	0	112.6	S196 N246 V248 V277 Y281 Y287	S196-I201 WeakPolarHBondContact CB-O 3.25Å; I201-N246 PolarHBondContact O-ND2 3.46Å; I201-N246 VanDerWaalsContact O-ND2 3.12Å; I201-V248 HydrophobicContact CB-CG1 4Å; I201-V277 HydrophobicContact CD1-CG1 4.11Å; I201-V277 HydrophobicContact CD1-CG2 4.48Å; I201-Y281 HydrophobicContact CB-CD2 4.25Å; I201-Y281 HydrophobicContact CB-CE2 4.3Å; I201-Y281 HydrophobicContact CD1-CD2 4.23Å; I201-Y281 HydrophobicContact CD1-CG 4.18Å; I201-Y281 HydrophobicContact CG2-CD1 3.96Å; I201-Y281 HydrophobicContact CG2-CD2 3.82Å; I201-Y281 HydrophobicContact CG2-CE1 3.87Å; I201-Y281 HydrophobicContact CG2-CE2 3.73Å; I201-Y281 HydrophobicContact CG2-CG 3.92Å; I201-Y287 HydrophobicContact CD1-CD1 4.22Å; I201-Y287 HydrophobicContact CD1-CD2 3.91Å; I201-Y287 HydrophobicContact CD1-CE1 4.03Å; I201-Y287 HydrophobicContact CD1-CE2 3.7Å; I201-Y287 HydrophobicContact CD1-CG 4.17Å; I201-Y287 HydrophobicContact CG1-CD2 4.23Å; I201-Y287 HydrophobicContact CG1-CE2 3.73Å; I201-Y287 HydrophobicContact CG2-CD2 4Å; I201-Y287 HydrophobicContact CG2-CE2 4.17Å
202	S	98.5	Very high	98.4	Very high	10 Å²	10	43.2 Å²	43.2	7%	0.07	25%	0.253	C	S	.	.			trans	-172.5	150	176.5	178.6	0	0	0	0	109.4	D194 D204 R312	D194-S202 WeakPolarHBondContact OD2-CA 3.38Å; D194-S202 WeakPolarHBondContact OD2-CB 3.33Å; D194-S202 PolarHBondContact OD2-OG 2.72Å; S202-D204 VanDerWaalsContact C-N 3.31Å; S202-D204 PolarHBondContact OG-N 3.25Å; S202-R312 PolarHBondContact OG-NH2 3.3Å
203	S	97.8	Very high	98.4	Very high	64 Å²	64	42.5 Å²	42.5	45%	0.448	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-33.6	168.4	63.7	0	0	0	0	112.5	H192 D194	H192-S203 PolarHBondContact CE1-OG 2.8Å; H192-S203 PolarHBondContact NE2-OG 3.32Å; D194-S203 VanDerWaalsContact CG-OG 3.24Å; D194-S203 PolarHBondContact OD1-N 2.98Å; D194-S203 PolarHBondContact OD1-OG 3.15Å; D194-S203 PolarHBondContact OD2-N 2.79Å; D194-S203 PolarHBondContact OD2-OG 2.81Å
204	D	97.8	Very high	98.3	Very high	71 Å²	71	44.7 Å²	44.7	38%	0.38	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.4	63.7	-176.9	-69.5	-56.1	0	0	0	111.7	H192 S202 L206 L207 R312	H192-D204 IonicContact CE1-OD2 2.88Å; S202-D204 VanDerWaalsContact C-N 3.31Å; S202-D204 PolarHBondContact OG-N 3.25Å; D204-L206 PolarHBondContact O-N 2.87Å; D204-L207 HydrophobicContact CB-CB 3.76Å; D204-L207 HydrophobicContact CB-CD2 4.19Å; D204-L207 WeakPolarHBondContact O-CB 3.15Å; D204-L207 PolarHBondContact O-N 3.14Å; D204-R312 PolarHBondContact O-NH2 2.84Å
205	A	98.4	Very high	98.3	Very high	19 Å²	19	44.9 Å²	44.9	16%	0.157	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-26.5	-175	0	0	0	0	0	115.2	Y287 C288 A289	A205-Y287 HydrophobicContact CB-CD2 3.98Å; A205-Y287 CarbonylContact O-C 3.44Å; A205-Y287 WeakPolarHBondContact O-CA 3.24Å; A205-C288 PolarHBondContact O-N 2.93Å; A205-A289 PolarHBondContact O-N 3.1Å; A205-A289 VanDerWaalsContact O-N 3.14Å
206	L	98.6	Very high	98.3	Very high	104 Å²	104	40.4 Å²	40.4	55%	0.545	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	7.8	-179.8	-62.7	-179.3	0	0	0	114	D204 P208	D204-L206 PolarHBondContact O-N 2.87Å; L206-P208 VanDerWaalsContact O-CD 3.28Å; L206-P208 WeakPolarHBondContact O-CD 3.15Å
207	L	98.5	Very high	98.3	Very high	27 Å²	27	42.9 Å²	42.9	14%	0.141	25%	0.254	C	S	.	.	S	Bend	trans	-90.6	106.3	172.8	174.5	60.6	0	0	0	108.8	S189 Y191 D204 A289 R312	S189-L207 WeakPolarHBondContact OG-CD1 3.1Å; Y191-L207 HydrophobicContact CD1-CD2 3.92Å; Y191-L207 HydrophobicContact CD1-CG 4.41Å; Y191-L207 HydrophobicContact CE1-CD1 4.14Å; Y191-L207 HydrophobicContact CE1-CD2 3.85Å; Y191-L207 HydrophobicContact CE1-CG 3.87Å; D204-L207 HydrophobicContact CB-CB 3.76Å; D204-L207 HydrophobicContact CB-CD2 4.19Å; D204-L207 WeakPolarHBondContact O-CB 3.15Å; D204-L207 PolarHBondContact O-N 3.14Å; L207-A289 VanDerWaalsContact O-CA 3.25Å; L207-A289 WeakPolarHBondContact O-CA 3.3Å; L207-A289 WeakPolarHBondContact O-CB 3.46Å; L207-R312 PolarHBondContact O-NH1 3.27Å
208	P	98.6	Very high	98.3	Very high	50 Å²	50	41.5 Å²	41.5	33%	0.325	25%	0.245	S	C	.	.			trans	-67.4	150.4	-178.5	-18	33.3	0	0	0	112.2	Y191 L206 S213 C288	Y191-P208 PolarHBondContact OH-O 3.45Å; L206-P208 VanDerWaalsContact O-CD 3.28Å; L206-P208 WeakPolarHBondContact O-CD 3.15Å; P208-S213 WeakPolarHBondContact CB-OG 3.32Å; P208-C288 WeakPolarHBondContact CA-O 3.41Å
209	D	98.8	Very high	98.4	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	23%	0.233	C	C	.	.			trans	-68.4	130.3	166.3	-179.4	-82.5	0	0	0	110.3	Y148 Y211 E212 S213 F244 A289 H310	Y148-D209 PolarHBondContact OH-OD2 3.49Å; D209-Y211 WeakPolarHBondContact OD1-CA 3.48Å; D209-Y211 VanDerWaalsContact OD1-CB 3.3Å; D209-Y211 WeakPolarHBondContact OD1-CB 3.38Å; D209-Y211 PolarHBondContact OD1-N 3.48Å; D209-E212 HydrophobicContact CB-CB 3.98Å; D209-E212 PolarHBondContact OD1-N 2.71Å; D209-S213 VanDerWaalsContact O-CB 3.24Å; D209-S213 WeakPolarHBondContact O-CB 3.34Å; D209-S213 PolarHBondContact O-N 3.23Å; D209-S213 PolarHBondContact O-OG 2.98Å; D209-F244 HydrophobicContact CB-CD2 4.2Å; D209-F244 HydrophobicContact CB-CE2 4.45Å; D209-F244 VanDerWaalsContact OD1-CE2 3.32Å; D209-F244 WeakPolarHBondContact OD1-CE2 3.38Å; D209-A289 PolarHBondContact N-O 3.33Å; D209-H310 IonicContact OD2-CE1 3.47Å; D209-H310 PolarHBondContact OD2-CE1 3.29Å; D209-H310 VanDerWaalsContact OD2-CE1 3.23Å; D209-H310 IonicContact OD2-NE2 3.77Å; D209-H310 PolarHBondContact OD2-NE2 3.43Å
210	P	98.4	Very high	98.5	Very high	10 Å²	10	41.1 Å²	41.1	7%	0.065	23%	0.234	C	C	.	.	H	α-helix	trans	-70.8	-33.1	-174.1	27.6	-33.4	0	0	0	113	Y148 L155 L169 Y191	Y148-P210 HydrophobicContact CE2-CG 4.48Å; L155-P210 HydrophobicContact CD2-CG 4.18Å; L169-P210 HydrophobicContact CD1-CB 3.64Å; L169-P210 HydrophobicContact CD1-CG 3.79Å; L169-P210 HydrophobicContact CD2-CB 3.88Å; L169-P210 HydrophobicContact CG-CB 4.35Å; Y191-P210 HydrophobicContact CE1-CG 4.45Å; Y191-P210 HydrophobicContact CE2-CG 4.38Å
211	Y	98.8	Very high	98.5	Very high	3 Å²	3	39.4 Å²	39.4	1%	0.012	22%	0.223	C	C	.	.	H	α-helix	trans	-70.6	-46	178.2	174.1	-87.4	0	0	0	111.1	Y148 D150 D209 S213 E214 R215 V241 F244	Y148-Y211 VanDerWaalsContact CB-CD2 3.4Å; Y148-Y211 VanDerWaalsContact CD1-CB 3.41Å; Y148-Y211 HydrophobicContact CD1-CD1 4.17Å; Y148-Y211 AromaticContact CD1-CD2 3.76Å; Y148-Y211 HydrophobicContact CD1-CD2 3.76Å; Y148-Y211 AromaticContact CD1-CG 3.53Å; Y148-Y211 HydrophobicContact CD1-CG 3.53Å; Y148-Y211 HydrophobicContact CE1-CG 4.08Å; Y148-Y211 AromaticContact CG-CD2 3.69Å; Y148-Y211 HydrophobicContact CG-CD2 3.69Å; Y148-Y211 HydrophobicContact CG-CE2 4.47Å; Y148-Y211 AromaticContact CG-CG 3.91Å; Y148-Y211 HydrophobicContact CG-CG 3.91Å; D150-Y211 HydrophobicContact CB-CE2 3.85Å; D209-Y211 WeakPolarHBondContact OD1-CA 3.48Å; D209-Y211 VanDerWaalsContact OD1-CB 3.3Å; D209-Y211 WeakPolarHBondContact OD1-CB 3.38Å; D209-Y211 PolarHBondContact OD1-N 3.48Å; Y211-S213 VanDerWaalsContact C-N 3.31Å; Y211-S213 PolarHBondContact O-N 2.77Å; Y211-E214 PolarHBondContact O-N 2.8Å; Y211-R215 VanDerWaalsContact CD2-CZ 3.43Å; Y211-R215 VanDerWaalsContact CD2-NH1 3.27Å; Y211-R215 VanDerWaalsContact CE2-NH2 3.27Å; Y211-R215 VanDerWaalsContact CZ-CZ 3.4Å; Y211-R215 PolarHBondContact O-NH1 3.22Å; Y211-R215 PolarHBondContact OH-NE 2.82Å; Y211-V241 HydrophobicContact CE1-CB 4.18Å; Y211-V241 HydrophobicContact CE1-CG1 4.08Å; Y211-V241 VanDerWaalsContact CE1-O 3.32Å; Y211-V241 WeakPolarHBondContact CE1-O 3.4Å; Y211-V241 PolarHBondContact OH-O 3.15Å; Y211-F244 AromaticContact CD1-CE2 3.82Å; Y211-F244 HydrophobicContact CD1-CE2 3.82Å; Y211-F244 AromaticContact CD1-CZ 3.63Å; Y211-F244 HydrophobicContact CD1-CZ 3.63Å; Y211-F244 HydrophobicContact CE1-CZ 4.13Å; Y211-F244 HydrophobicContact CG-CE2 4.47Å; Y211-F244 HydrophobicContact CG-CZ 4.36Å
212	E	98.8	Very high	98.4	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-63.1	-40.3	177	-174	177.7	-109.5	0	0	110.9	D209 E214 R215 V216 S243 F244 S290 L291	D209-E212 HydrophobicContact CB-CB 3.98Å; D209-E212 PolarHBondContact OD1-N 2.71Å; E212-E214 PolarHBondContact O-N 2.86Å; E212-E214 VanDerWaalsContact O-N 3.16Å; E212-R215 PolarHBondContact O-N 2.83Å; E212-V216 HydrophobicContact CG-CG2 3.37Å; E212-V216 WeakPolarHBondContact O-CG2 3.48Å; E212-V216 PolarHBondContact O-N 3.06Å; E212-S243 VanDerWaalsContact OE1-CA 3.26Å; E212-S243 WeakPolarHBondContact OE1-CA 3.46Å; E212-S243 VanDerWaalsContact OE1-CB 3.29Å; E212-S243 WeakPolarHBondContact OE1-CB 3.48Å; E212-S243 PolarHBondContact OE1-OG 3.33Å; E212-F244 HydrophobicContact CB-CD2 4.16Å; E212-F244 HydrophobicContact CB-CE2 4.28Å; E212-F244 PolarHBondContact OE1-N 3.26Å; E212-S290 VanDerWaalsContact OE2-CA 3.27Å; E212-S290 WeakPolarHBondContact OE2-CA 3.35Å; E212-L291 VanDerWaalsContact CD-N 3.32Å; E212-L291 PolarHBondContact OE1-N 3.16Å; E212-L291 WeakPolarHBondContact OE2-CB 3.25Å; E212-L291 WeakPolarHBondContact OE2-CG 3.45Å; E212-L291 PolarHBondContact OE2-N 3.28Å
213	S	98.3	Very high	98.2	Very high	44 Å²	44	48 Å²	48	31%	0.308	27%	0.267	S	S	.	.	H	α-helix	trans	-60.9	-25.7	-179.6	-67.5	0	0	0	0	114	P208 D209 Y211 K233	P208-S213 WeakPolarHBondContact CB-OG 3.32Å; D209-S213 VanDerWaalsContact O-CB 3.24Å; D209-S213 WeakPolarHBondContact O-CB 3.34Å; D209-S213 PolarHBondContact O-N 3.23Å; D209-S213 PolarHBondContact O-OG 2.98Å; Y211-S213 VanDerWaalsContact C-N 3.31Å; Y211-S213 PolarHBondContact O-N 2.77Å; S213-K233 PolarHBondContact O-NZ 3.17Å
214	E	98.2	Very high	97.9	Very high	113 Å²	113	50.1 Å²	50.1	53%	0.528	28%	0.282	S	S	.	.	H	α-helix	trans	-83.8	-17	175.8	-68.2	-173.9	175.6	0	0	113.2	Y211 E212	Y211-E214 PolarHBondContact O-N 2.8Å; E212-E214 PolarHBondContact O-N 2.86Å; E212-E214 VanDerWaalsContact O-N 3.16Å
215	R	98.8	Very high	97.7	Very high	27 Å²	27	52.8 Å²	52.8	10%	0.102	31%	0.306	C	S	.	.	H	α-helix	trans	-110.5	-33.1	-168.4	-75.9	165.2	-178.1	70	6.6	114.4	D150 Y211 E212 S232 K233 M242	D150-R215 VanDerWaalsContact CG-NH2 3.34Å; D150-R215 IonicContact OD2-CZ 3.34Å; D150-R215 IonicContact OD2-NH1 2.75Å; D150-R215 IonicContact OD2-NH2 3.56Å; D150-R215 PolarHBondContact OD2-NH2 3.29Å; Y211-R215 VanDerWaalsContact CD2-CZ 3.43Å; Y211-R215 VanDerWaalsContact CD2-NH1 3.27Å; Y211-R215 VanDerWaalsContact CE2-NH2 3.27Å; Y211-R215 VanDerWaalsContact CZ-CZ 3.4Å; Y211-R215 PolarHBondContact O-NH1 3.22Å; Y211-R215 PolarHBondContact OH-NE 2.82Å; E212-R215 PolarHBondContact O-N 2.83Å; R215-S232 CarbonylContact O-C 3.58Å; R215-S232 WeakPolarHBondContact O-CA 3.38Å; R215-K233 PolarHBondContact O-N 3.37Å; R215-M242 HydrophobicContact CB-CE 4.2Å
216	V	98.9	Very high	97.4	Very high	2 Å²	2	53.7 Å²	53.7	1%	0.012	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	159.3	-172.7	-60.9	0	0	0	0	113.4	E212 L230 F231 K233 M242 L291 L331	E212-V216 HydrophobicContact CG-CG2 3.37Å; E212-V216 WeakPolarHBondContact O-CG2 3.48Å; E212-V216 PolarHBondContact O-N 3.06Å; V216-L230 HydrophobicContact CB-CD1 3.83Å; V216-L230 HydrophobicContact CB-CG 4.09Å; V216-L230 HydrophobicContact CG1-CD2 4.34Å; V216-L230 HydrophobicContact CG1-CG 4.28Å; V216-L230 HydrophobicContact CG2-CD1 3.87Å; V216-L230 HydrophobicContact CG2-CG 4.48Å; V216-F231 CarbonylContact C-O 3.58Å; V216-F231 WeakPolarHBondContact CA-O 3.19Å; V216-F231 WeakPolarHBondContact CB-O 3.44Å; V216-K233 WeakPolarHBondContact O-CE 3.42Å; V216-K233 PolarHBondContact O-NZ 3.36Å; V216-M242 HydrophobicContact CG1-CB 4.01Å; V216-M242 HydrophobicContact CG1-CE 4.2Å; V216-L291 HydrophobicContact CG2-CD1 4.42Å; V216-L331 HydrophobicContact CG1-CD1 3.58Å
217	Y	98.8	Very high	97.3	Very high	59 Å²	59	51 Å²	51	23%	0.231	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	165.7	168.2	68	-84.6	0	0	0	111	A219 F231 K233 E328	Y217-A219 HydrophobicContact CD2-CB 4.08Å; Y217-A219 HydrophobicContact CE2-CB 3.69Å; Y217-F231 HydrophobicContact CD1-CB 3.96Å; Y217-F231 HydrophobicContact CD2-CB 4.22Å; Y217-F231 HydrophobicContact CE1-CB 3.52Å; Y217-F231 HydrophobicContact CE2-CB 3.75Å; Y217-F231 HydrophobicContact CE2-CD2 4.26Å; Y217-F231 HydrophobicContact CE2-CG 4.09Å; Y217-F231 HydrophobicContact CG-CB 4.32Å; Y217-F231 AromaticContact CZ-CG 3.98Å; Y217-F231 PolarHBondContact N-O 3.23Å; Y217-F231 PolarHBondContact O-N 2.79Å; Y217-K233 HydrophobicContact CD1-CG 3.65Å; Y217-K233 HydrophobicContact CE1-CG 4.42Å; Y217-E328 PolarHBondContact OH-OE2 3.21Å
218	V	98.8	Very high	97.3	Very high	37 Å²	37	53.1 Å²	53.1	22%	0.224	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	134.2	177.3	-178.3	0	0	0	0	109.3	E228 G229 L230 V284 L291 K294	V218-E228 HydrophobicContact CG1-CB 3.8Å; V218-E228 HydrophobicContact CG1-CG 4.13Å; V218-G229 WeakPolarHBondContact CA-O 3.48Å; V218-L230 HydrophobicContact CG2-CD1 4.24Å; V218-V284 HydrophobicContact CB-CG1 4.28Å; V218-V284 HydrophobicContact CG1-CG1 4.21Å; V218-V284 HydrophobicContact CG2-CG1 4.03Å; V218-L291 HydrophobicContact CG2-CD1 4.22Å; V218-L291 HydrophobicContact CG2-CD2 4.04Å; V218-K294 HydrophobicContact CG1-CD 4.11Å; V218-K294 HydrophobicContact CG1-CG 4.27Å; V218-K294 HydrophobicContact CG2-CB 4.06Å; V218-K294 HydrophobicContact CG2-CG 3.81Å
219	A	98.5	Very high	97.3	Very high	35 Å²	35	50.8 Å²	50.8	29%	0.289	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	177.8	174.3	0	0	0	0	0	110.4	Y217 S221 E228 G229 F231	Y217-A219 HydrophobicContact CD2-CB 4.08Å; Y217-A219 HydrophobicContact CE2-CB 3.69Å; A219-S221 PolarHBondContact O-N 2.9Å; A219-E228 CarbonylContact O-C 3.57Å; A219-E228 VanDerWaalsContact O-CA 3.27Å; A219-E228 WeakPolarHBondContact O-CA 2.94Å; A219-G229 PolarHBondContact N-O 3.03Å; A219-G229 PolarHBondContact O-N 2.83Å; A219-F231 HydrophobicContact CB-CD2 3.95Å; A219-F231 HydrophobicContact CB-CE2 3.89Å
220	D	98.4	Very high	97.3	Very high	133 Å²	133	50.8 Å²	50.8	71%	0.711	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.6	129.9	173.1	-68.6	-36.4	0	0	0	110.3	F231	D220-F231 WeakPolarHBondContact O-CZ 3.4Å
221	S	98.2	Very high	97.3	Very high	19 Å²	19	50.7 Å²	50.7	13%	0.133	30%	0.303	C	S	.	.			trans	-64.6	148.6	-179.3	179.8	0	0	0	0	111.9	A219 I223 G227 N296 E330	A219-S221 PolarHBondContact O-N 2.9Å; S221-I223 WeakPolarHBondContact OG-CB 3.31Å; S221-I223 PolarHBondContact OG-N 3.03Å; S221-G227 VanDerWaalsContact CB-O 3.31Å; S221-G227 WeakPolarHBondContact CB-O 3.49Å; S221-G227 PolarHBondContact N-O 3.43Å; S221-N296 WeakPolarHBondContact CB-ND2 3.19Å; S221-N296 PolarHBondContact OG-ND2 2.92Å; S221-E330 VanDerWaalsContact CB-OE1 3.26Å; S221-E330 WeakPolarHBondContact CB-OE1 3.22Å; S221-E330 VanDerWaalsContact OG-CD 3.29Å; S221-E330 PolarHBondContact OG-OE1 2.99Å; S221-E330 PolarHBondContact OG-OE2 3.27Å
222	L	96.5	Very high	97.3	Very high	143 Å²	143	50.5 Å²	50.5	75%	0.749	30%	0.303	S	S	*	.	S	Bend	trans	-76	-16.3	169.4	-56	178.6	0	0	0	111.7	F231 E330	L222-F231 HydrophobicContact CD1-CE1 4.33Å; L222-F231 HydrophobicContact CG-CE1 4.13Å; L222-F231 HydrophobicContact CG-CZ 4.28Å; L222-E330 WeakPolarHBondContact CB-OE2 3.45Å; L222-E330 PolarHBondContact N-OE2 3.49Å
223	I	94.6	Very high	97.3	Very high	47 Å²	47	54.7 Å²	54.7	24%	0.241	32%	0.321	C	S	.	.	S	Bend	trans	-78	122	176	-55.9	172.3	0	0	0	108.7	S221 S225 A226 N296 H297 T332	S221-I223 WeakPolarHBondContact OG-CB 3.31Å; S221-I223 PolarHBondContact OG-N 3.03Å; I223-S225 PolarHBondContact O-N 3.07Å; I223-A226 HydrophobicContact CB-CB 3.77Å; I223-A226 HydrophobicContact CG2-CB 3.87Å; I223-A226 WeakPolarHBondContact O-CB 3.24Å; I223-A226 PolarHBondContact O-N 3.34Å; I223-A226 VanDerWaalsContact O-N 3.17Å; I223-N296 HydrophobicContact CD1-CB 3.9Å; I223-H297 WeakPolarHBondContact CD1-O 3.21Å; I223-T332 HydrophobicContact CD1-CG2 4.17Å
224	S	92.1	Very high	97.3	Very high	110 Å²	110	55.5 Å²	55.5	77%	0.769	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	124.8	-177.1	-176	0	0	0	0	111.2	A226	S224-A226 PolarHBondContact O-N 2.75Å
225	S	91.9	Very high	97.3	Very high	126 Å²	126	53.2 Å²	53.2	88%	0.881	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.7	15.6	177	-47	0	0	0	0	115.6	I223	I223-S225 PolarHBondContact O-N 3.07Å
226	A	93.4	Very high	97.3	Very high	39 Å²	39	53.1 Å²	53.1	32%	0.322	33%	0.326	S	S	.	.			trans	-82.4	-12.2	174.9	0	0	0	0	0	113.6	I223 S224	I223-A226 HydrophobicContact CB-CB 3.77Å; I223-A226 HydrophobicContact CG2-CB 3.87Å; I223-A226 WeakPolarHBondContact O-CB 3.24Å; I223-A226 PolarHBondContact O-N 3.34Å; I223-A226 VanDerWaalsContact O-N 3.17Å; S224-A226 PolarHBondContact O-N 2.75Å
227	G	96.2	Very high	97.3	Very high	47 Å²	47	54.6 Å²	54.6	49%	0.485	34%	0.343	S	S	.	.			trans	83.8	-128.9	-178.3	0	0	0	0	0	111.6	S221	S221-G227 VanDerWaalsContact CB-O 3.31Å; S221-G227 WeakPolarHBondContact CB-O 3.49Å; S221-G227 PolarHBondContact N-O 3.43Å
228	E	98.3	Very high	97.3	Very high	72 Å²	72	55.1 Å²	55.1	34%	0.336	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	154.4	175.6	-67.2	176.3	151.6	0	0	110.9	V218 A219 K294 N296	V218-E228 HydrophobicContact CG1-CB 3.8Å; V218-E228 HydrophobicContact CG1-CG 4.13Å; A219-E228 CarbonylContact O-C 3.57Å; A219-E228 VanDerWaalsContact O-CA 3.27Å; A219-E228 WeakPolarHBondContact O-CA 2.94Å; E228-K294 HydrophobicContact CB-CD 4.37Å; E228-K294 WeakPolarHBondContact OE2-CE 3.42Å; E228-K294 IonicContact OE2-NZ 3.96Å; E228-K294 PolarHBondContact OE2-NZ 3.12Å; E228-N296 PolarHBondContact O-ND2 2.98Å
229	G	98.6	Very high	97.2	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	166.9	173.3	0	0	0	0	0	111.5	V218 A219 F231 K294 N296	V218-G229 WeakPolarHBondContact CA-O 3.48Å; A219-G229 PolarHBondContact N-O 3.03Å; A219-G229 PolarHBondContact O-N 2.83Å; G229-F231 WeakPolarHBondContact O-CD2 3.22Å; G229-K294 CarbonylContact C-O 3.49Å; G229-K294 WeakPolarHBondContact CA-O 3.31Å; G229-N296 WeakPolarHBondContact CA-ND2 3.49Å
230	L	98.9	Very high	97.3	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	130.3	175.5	-169.5	71	0	0	0	109.2	V216 V218 L291 K294 A295 I319 E330 L331	V216-L230 HydrophobicContact CB-CD1 3.83Å; V216-L230 HydrophobicContact CB-CG 4.09Å; V216-L230 HydrophobicContact CG1-CD2 4.34Å; V216-L230 HydrophobicContact CG1-CG 4.28Å; V216-L230 HydrophobicContact CG2-CD1 3.87Å; V216-L230 HydrophobicContact CG2-CG 4.48Å; V218-L230 HydrophobicContact CG2-CD1 4.24Å; L230-L291 HydrophobicContact CD1-CB 3.9Å; L230-K294 HydrophobicContact CB-CB 4.21Å; L230-K294 HydrophobicContact CD1-CB 4.34Å; L230-K294 PolarHBondContact N-O 3.46Å; L230-K294 VanDerWaalsContact N-O 3.11Å; L230-A295 HydrophobicContact CB-CB 4.12Å; L230-A295 HydrophobicContact CD2-CB 4.14Å; L230-I319 HydrophobicContact CD2-CD1 3.94Å; L230-E330 CarbonylContact O-C 3.49Å; L230-L331 HydrophobicContact CB-CB 4.48Å; L230-L331 HydrophobicContact CD2-CD1 4.04Å; L230-L331 HydrophobicContact CG-CD1 4.25Å; L230-L331 PolarHBondContact O-N 3.43Å
231	F	98.9	Very high	97.3	Very high	8 Å²	8	52.2 Å²	52.2	4%	0.035	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	147	-174.5	-69.2	-98.4	0	0	0	111.1	V216 Y217 A219 D220 L222 G229 E328 E329 E330	V216-F231 CarbonylContact C-O 3.58Å; V216-F231 WeakPolarHBondContact CA-O 3.19Å; V216-F231 WeakPolarHBondContact CB-O 3.44Å; Y217-F231 HydrophobicContact CD1-CB 3.96Å; Y217-F231 HydrophobicContact CD2-CB 4.22Å; Y217-F231 HydrophobicContact CE1-CB 3.52Å; Y217-F231 HydrophobicContact CE2-CB 3.75Å; Y217-F231 HydrophobicContact CE2-CD2 4.26Å; Y217-F231 HydrophobicContact CE2-CG 4.09Å; Y217-F231 HydrophobicContact CG-CB 4.32Å; Y217-F231 AromaticContact CZ-CG 3.98Å; Y217-F231 PolarHBondContact N-O 3.23Å; Y217-F231 PolarHBondContact O-N 2.79Å; A219-F231 HydrophobicContact CB-CD2 3.95Å; A219-F231 HydrophobicContact CB-CE2 3.89Å; D220-F231 WeakPolarHBondContact O-CZ 3.4Å; L222-F231 HydrophobicContact CD1-CE1 4.33Å; L222-F231 HydrophobicContact CG-CE1 4.13Å; L222-F231 HydrophobicContact CG-CZ 4.28Å; G229-F231 WeakPolarHBondContact O-CD2 3.22Å; F231-E328 WeakPolarHBondContact CD1-O 3.47Å; F231-E329 WeakPolarHBondContact CA-O 3.48Å; F231-E330 HydrophobicContact CD1-CB 3.86Å; F231-E330 HydrophobicContact CD1-CG 4.34Å; F231-E330 HydrophobicContact CE1-CB 3.53Å; F231-E330 HydrophobicContact CE1-CG 3.93Å; F231-E330 HydrophobicContact CE2-CG 4.21Å; F231-E330 HydrophobicContact CZ-CB 3.98Å; F231-E330 HydrophobicContact CZ-CG 3.85Å
232	S	98.8	Very high	97.3	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	136.6	173.3	-166.3	0	0	0	0	111.5	R215 V234 M242 E328 E329	R215-S232 CarbonylContact O-C 3.58Å; R215-S232 WeakPolarHBondContact O-CA 3.38Å; S232-V234 PolarHBondContact OG-N 3.49Å; S232-V234 PolarHBondContact OG-O 2.82Å; S232-M242 VanDerWaalsContact OG-CE 3.23Å; S232-M242 WeakPolarHBondContact OG-CE 3.35Å; S232-E328 VanDerWaalsContact O-CA 3.3Å; S232-E328 WeakPolarHBondContact O-CA 3.37Å; S232-E328 PolarHBondContact O-N 3.13Å; S232-E329 PolarHBondContact N-O 2.82Å
233	K	98.8	Very high	97.4	Very high	87 Å²	87	44.5 Å²	44.5	38%	0.378	29%	0.291	S	S	.	.	S	Bend	trans	-82.6	-22.4	169.9	-72.2	-175.8	173	169.4	0	113	S213 R215 V216 Y217	S213-K233 PolarHBondContact O-NZ 3.17Å; R215-K233 PolarHBondContact O-N 3.37Å; V216-K233 WeakPolarHBondContact O-CE 3.42Å; V216-K233 PolarHBondContact O-NZ 3.36Å; Y217-K233 HydrophobicContact CD1-CG 3.65Å; Y217-K233 HydrophobicContact CE1-CG 4.42Å
234	V	98.1	Very high	97.6	Very high	61 Å²	61	42.3 Å²	42.3	37%	0.37	28%	0.279	S	S	.	.	S	Bend	trans	-140.6	150.1	-167.2	-70.3	0	0	0	0	110.6	S232 V236	S232-V234 PolarHBondContact OG-N 3.49Å; S232-V234 PolarHBondContact OG-O 2.82Å; V234-V236 HydrophobicContact CG2-CG1 3.87Å; V234-V236 PolarHBondContact O-N 3.44Å
235	A	98.6	Very high	97.9	Very high	65 Å²	65	37.4 Å²	37.4	54%	0.537	24%	0.244	S	C	.	.			trans	-71.6	130.1	170.5	0	0	0	0	0	109.6	V325	A235-V325 CarbonylContact C-O 3.54Å; A235-V325 VanDerWaalsContact CA-O 3.29Å; A235-V325 WeakPolarHBondContact CA-O 3.43Å
236	V	98.5	Very high	98.3	Very high	25 Å²	25	31.4 Å²	31.4	15%	0.152	20%	0.202	C	C	.	.	B	Isolated β-bridge	trans	-135.2	155.5	-177.6	-65.5	0	0	0	0	111.4	V234 T240 M242 T321 A324 V325	V234-V236 HydrophobicContact CG2-CG1 3.87Å; V234-V236 PolarHBondContact O-N 3.44Å; V236-T240 HydrophobicContact CB-CG2 4.06Å; V236-T240 HydrophobicContact CG1-CG2 4.11Å; V236-T240 HydrophobicContact CG2-CG2 4.48Å; V236-M242 HydrophobicContact CB-SD 4.41Å; V236-M242 HydrophobicContact CG1-CE 4.36Å; V236-M242 HydrophobicContact CG1-SD 4.2Å; V236-M242 HydrophobicContact CG2-CE 3.93Å; V236-M242 HydrophobicContact CG2-SD 3.71Å; V236-T321 HydrophobicContact CG2-CG2 3.96Å; V236-A324 VanDerWaalsContact O-CA 3.27Å; V236-A324 WeakPolarHBondContact O-CA 3.13Å; V236-V325 HydrophobicContact CG2-CB 4.03Å; V236-V325 PolarHBondContact N-O 2.81Å; V236-V325 PolarHBondContact O-N 3.36Å
237	G	98.5	Very high	98.5	Very high	34 Å²	34	29.5 Å²	29.5	35%	0.351	19%	0.187	S	C	.	.			trans	-78.8	176.1	174	0	0	0	0	0	113.2	T240 T321	G237-T240 PolarHBondContact O-OG1 2.84Å; G237-T321 PolarHBondContact O-OG1 2.9Å
238	P	98.4	Very high	98.7	Very high	69 Å²	69	27.7 Å²	27.7	45%	0.448	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	160.5	168.9	28.1	-35.3	0	0	0	111.8	T240 T321	P238-T240 PolarHBondContact O-N 2.95Å; P238-T321 WeakPolarHBondContact CA-OG1 3.24Å
239	N	98.1	Very high	98.7	Very high	109 Å²	109	25.8 Å²	25.8	58%	0.583	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.4	20.9	179.5	-58.2	-42	0	0	0	114.9	R320 T321	N239-R320 PolarHBondContact O-NH1 2.9Å; N239-T321 WeakPolarHBondContact CA-O 3.4Å; N239-T321 PolarHBondContact N-O 3.34Å; N239-T321 PolarHBondContact N-OG1 2.6Å
240	T	98.7	Very high	98.6	Very high	35 Å²	35	26.3 Å²	26.3	22%	0.215	16%	0.158	C	C	.	.			trans	-88.6	127.6	178.8	-54.5	0	0	0	0	109.9	V236 G237 P238 M242 R320 T321	V236-T240 HydrophobicContact CB-CG2 4.06Å; V236-T240 HydrophobicContact CG1-CG2 4.11Å; V236-T240 HydrophobicContact CG2-CG2 4.48Å; G237-T240 PolarHBondContact O-OG1 2.84Å; P238-T240 PolarHBondContact O-N 2.95Å; T240-M242 HydrophobicContact CG2-SD 3.85Å; T240-R320 CarbonylContact O-C 3.6Å; T240-R320 VanDerWaalsContact O-CA 3.31Å; T240-R320 WeakPolarHBondContact O-CA 3.49Å; T240-T321 PolarHBondContact N-OG1 3.43Å; T240-T321 PolarHBondContact O-N 3.36Å
241	V	98.9	Very high	98.6	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.006	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	128.8	169.7	-178.5	0	0	0	0	108.7	P149 Y211 F244 F308 C318 R320	P149-V241 HydrophobicContact CB-CG2 4.36Å; P149-V241 HydrophobicContact CG-CB 4.36Å; P149-V241 HydrophobicContact CG-CG2 4.04Å; Y211-V241 HydrophobicContact CE1-CB 4.18Å; Y211-V241 HydrophobicContact CE1-CG1 4.08Å; Y211-V241 VanDerWaalsContact CE1-O 3.32Å; Y211-V241 WeakPolarHBondContact CE1-O 3.4Å; Y211-V241 PolarHBondContact OH-O 3.15Å; V241-F244 HydrophobicContact CG1-CE1 3.79Å; V241-F244 HydrophobicContact CG1-CZ 4.32Å; V241-F308 HydrophobicContact CG1-CD2 4.35Å; V241-F308 HydrophobicContact CG1-CE2 4.15Å; V241-F308 HydrophobicContact CG2-CD2 4.45Å; V241-F308 HydrophobicContact CG2-CE2 4.23Å; V241-C318 HydrophobicContact CG1-CB 3.87Å; V241-R320 VanDerWaalsContact CG2-NH1 3.35Å
242	M	98.8	Very high	98.3	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	-39.3	-176	-62.6	-56.2	-74	0	0	112.7	R215 V216 S232 V236 T240 I319 T321 L331	R215-M242 HydrophobicContact CB-CE 4.2Å; V216-M242 HydrophobicContact CG1-CB 4.01Å; V216-M242 HydrophobicContact CG1-CE 4.2Å; S232-M242 VanDerWaalsContact OG-CE 3.23Å; S232-M242 WeakPolarHBondContact OG-CE 3.35Å; V236-M242 HydrophobicContact CB-SD 4.41Å; V236-M242 HydrophobicContact CG1-CE 4.36Å; V236-M242 HydrophobicContact CG1-SD 4.2Å; V236-M242 HydrophobicContact CG2-CE 3.93Å; V236-M242 HydrophobicContact CG2-SD 3.71Å; T240-M242 HydrophobicContact CG2-SD 3.85Å; M242-I319 PolarHBondContact N-O 3.31Å; M242-T321 HydrophobicContact CG-CG2 3.55Å; M242-T321 HydrophobicContact SD-CG2 4.02Å; M242-L331 HydrophobicContact CB-CD1 3.77Å; M242-L331 HydrophobicContact CE-CD1 4.22Å; M242-L331 HydrophobicContact CG-CD1 4.07Å
243	S	98.9	Very high	98	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	159.9	-168.5	176.5	0	0	0	0	111.5	E212 G292 C318 I319	E212-S243 VanDerWaalsContact OE1-CA 3.26Å; E212-S243 WeakPolarHBondContact OE1-CA 3.46Å; E212-S243 VanDerWaalsContact OE1-CB 3.29Å; E212-S243 WeakPolarHBondContact OE1-CB 3.48Å; E212-S243 PolarHBondContact OE1-OG 3.33Å; S243-G292 VanDerWaalsContact OG-CA 3.24Å; S243-G292 WeakPolarHBondContact OG-CA 3.4Å; S243-G292 PolarHBondContact OG-N 2.94Å; S243-C318 CarbonylContact O-C 3.54Å; S243-C318 VanDerWaalsContact O-CA 3.24Å; S243-C318 WeakPolarHBondContact O-CA 3.48Å; S243-C318 VanDerWaalsContact O-CB 3.28Å; S243-C318 WeakPolarHBondContact O-CB 3.43Å; S243-I319 PolarHBondContact O-N 3.38Å
244	F	98.9	Very high	97.8	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	137.6	-177.3	-56.6	-59.8	0	0	0	111.5	Y148 D209 Y211 E212 V241 S290 L291 G292 F308 H310 I316 C318	Y148-F244 HydrophobicContact CD1-CE2 4.45Å; Y148-F244 AromaticContact CD1-CZ 3.98Å; Y148-F244 HydrophobicContact CD1-CZ 3.98Å; Y148-F244 AromaticContact CE1-CE2 3.9Å; Y148-F244 HydrophobicContact CE1-CE2 3.9Å; Y148-F244 AromaticContact CE1-CZ 3.8Å; Y148-F244 HydrophobicContact CE1-CZ 3.8Å; D209-F244 HydrophobicContact CB-CD2 4.2Å; D209-F244 HydrophobicContact CB-CE2 4.45Å; D209-F244 VanDerWaalsContact OD1-CE2 3.32Å; D209-F244 WeakPolarHBondContact OD1-CE2 3.38Å; Y211-F244 AromaticContact CD1-CE2 3.82Å; Y211-F244 HydrophobicContact CD1-CE2 3.82Å; Y211-F244 AromaticContact CD1-CZ 3.63Å; Y211-F244 HydrophobicContact CD1-CZ 3.63Å; Y211-F244 HydrophobicContact CE1-CZ 4.13Å; Y211-F244 HydrophobicContact CG-CE2 4.47Å; Y211-F244 HydrophobicContact CG-CZ 4.36Å; E212-F244 HydrophobicContact CB-CD2 4.16Å; E212-F244 HydrophobicContact CB-CE2 4.28Å; E212-F244 PolarHBondContact OE1-N 3.26Å; V241-F244 HydrophobicContact CG1-CE1 3.79Å; V241-F244 HydrophobicContact CG1-CZ 4.32Å; F244-S290 WeakPolarHBondContact O-CB 3.38Å; F244-S290 PolarHBondContact O-OG 3.22Å; F244-S290 VanDerWaalsContact O-OG 3.12Å; F244-L291 PolarHBondContact O-N 2.8Å; F244-G292 WeakPolarHBondContact O-CA 3.5Å; F244-G292 PolarHBondContact O-N 2.74Å; F244-F308 AromaticContact CD1-CD1 3.93Å; F244-F308 HydrophobicContact CD1-CD1 3.93Å; F244-F308 HydrophobicContact CD1-CE1 4.03Å; F244-F308 HydrophobicContact CD1-CG 4.2Å; F244-F308 HydrophobicContact CD1-CZ 4.41Å; F244-F308 AromaticContact CE1-CD1 3.73Å; F244-F308 HydrophobicContact CE1-CD1 3.73Å; F244-F308 HydrophobicContact CE1-CD2 4.01Å; F244-F308 AromaticContact CE1-CE1 3.4Å; F244-F308 HydrophobicContact CE1-CE1 3.4Å; F244-F308 VanDerWaalsContact CE1-CE1 3.4Å; F244-F308 AromaticContact CE1-CE2 3.73Å; F244-F308 HydrophobicContact CE1-CE2 3.73Å; F244-F308 HydrophobicContact CE1-CG 4.02Å; F244-F308 AromaticContact CE1-CZ 3.41Å; F244-F308 HydrophobicContact CE1-CZ 3.41Å; F244-F308 VanDerWaalsContact CE1-CZ 3.41Å; F244-F308 HydrophobicContact CZ-CE1 4.07Å; F244-F308 AromaticContact CZ-CZ 3.94Å; F244-F308 HydrophobicContact CZ-CZ 3.94Å; F244-H310 AromaticContact CD1-CD2 3.83Å; F244-H310 AromaticContact CD2-CD2 3.89Å; F244-H310 AromaticContact CD2-NE2 3.68Å; F244-H310 AromaticContact CE1-CD2 3.89Å; F244-H310 AromaticContact CE2-CD2 3.93Å; F244-H310 AromaticContact CE2-NE2 3.6Å; F244-H310 AromaticContact CG-CD2 3.84Å; F244-H310 AromaticContact CZ-CD2 3.93Å; F244-H310 AromaticContact CZ-NE2 3.98Å; F244-I316 HydrophobicContact CB-CD1 3.86Å; F244-I316 HydrophobicContact CD1-CD1 4.4Å; F244-I316 HydrophobicContact CG-CD1 4.44Å; F244-C318 HydrophobicContact CD1-CB 4.01Å; F244-C318 HydrophobicContact CE1-CB 4.41Å
245	Y	98.8	Very high	97.5	Very high	7 Å²	7	37 Å²	37	3%	0.027	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	77.9	177.3	-151.4	-55	0	0	0	109.5	N265 L267 I275 V277 G292 H293 Y305 K317	Y245-N265 VanDerWaalsContact OH-C 3.31Å; Y245-N265 WeakPolarHBondContact OH-CA 3.49Å; Y245-N265 PolarHBondContact OH-O 3.26Å; Y245-L267 HydrophobicContact CD1-CB 4.28Å; Y245-L267 HydrophobicContact CD1-CD2 3.85Å; Y245-L267 HydrophobicContact CD2-CD2 3.52Å; Y245-L267 HydrophobicContact CE1-CB 3.91Å; Y245-L267 HydrophobicContact CE1-CD2 4.23Å; Y245-L267 HydrophobicContact CE2-CB 4.3Å; Y245-L267 HydrophobicContact CE2-CD2 3.9Å; Y245-L267 HydrophobicContact CG-CD2 3.48Å; Y245-L267 VanDerWaalsContact CG-CD2 3.48Å; Y245-I275 HydrophobicContact CD1-CG2 3.84Å; Y245-I275 HydrophobicContact CE1-CG2 4.13Å; Y245-V277 HydrophobicContact CE1-CG2 4.15Å; Y245-G292 VanDerWaalsContact CD2-C 3.48Å; Y245-H293 HydrophobicContact CE1-CB 4.02Å; Y245-H293 HydrophobicContact CE2-CB 4.05Å; Y245-Y305 HydrophobicContact CD2-CD1 4.36Å; Y245-Y305 AromaticContact CD2-CE1 3.62Å; Y245-Y305 HydrophobicContact CD2-CE1 3.62Å; Y245-Y305 AromaticContact CE2-CE1 3.93Å; Y245-Y305 HydrophobicContact CE2-CE1 3.93Å; Y245-K317 WeakPolarHBondContact CA-O 3.49Å; Y245-K317 WeakPolarHBondContact CB-O 3.21Å; Y245-K317 PolarHBondContact N-O 2.82Å
246	N	98.9	Very high	97	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.216	C	C	.	.			trans	-92.2	154.9	167.2	177.9	56.7	0	0	0	110.5	I201 V277 Y287 S290 F313 I316	I201-N246 PolarHBondContact O-ND2 3.46Å; I201-N246 VanDerWaalsContact O-ND2 3.12Å; N246-V277 WeakPolarHBondContact O-CG2 3.33Å; N246-Y287 WeakPolarHBondContact CB-OH 3.47Å; N246-Y287 PolarHBondContact ND2-OH 3.08Å; N246-S290 PolarHBondContact N-OG 2.88Å; N246-S290 VanDerWaalsContact N-OG 3.16Å; N246-F313 HydrophobicContact CB-CB 4.08Å; N246-F313 HydrophobicContact CB-CD1 3.96Å; N246-F313 HydrophobicContact CB-CD2 3.98Å; N246-F313 HydrophobicContact CB-CE1 4.4Å; N246-F313 HydrophobicContact CB-CE2 4.43Å; N246-F313 HydrophobicContact CB-CG 3.73Å; N246-F313 WeakPolarHBondContact ND2-CD1 3.35Å; N246-I316 HydrophobicContact CB-CD1 4.41Å; N246-I316 HydrophobicContact CB-CG2 4.37Å
247	G	98.8	Very high	96.6	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.241	C	C	.	.			trans	-175.8	176.3	-176.7	0	0	0	0	0	110.6	S196 I275 D276	S196-G247 WeakPolarHBondContact CB-O 3.35Å; S196-G247 PolarHBondContact OG-O 3.29Å; G247-I275 VanDerWaalsContact CA-CG2 3.49Å; G247-D276 CarbonylContact C-O 3.6Å; G247-D276 WeakPolarHBondContact CA-O 3.43Å
248	V	98.8	Very high	96.3	Very high	8 Å²	8	44 Å²	44	5%	0.048	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	154.6	169.6	-61.7	0	0	0	0	110.1	T197 I201 I250 I275 D276 P278	T197-V248 CarbonylContact O-C 3.49Å; T197-V248 VanDerWaalsContact O-CA 3.24Å; T197-V248 WeakPolarHBondContact O-CA 3.46Å; T197-V248 VanDerWaalsContact O-CB 3.32Å; T197-V248 WeakPolarHBondContact O-CB 3.16Å; I201-V248 HydrophobicContact CB-CG1 4Å; V248-I250 HydrophobicContact CG2-CG2 4.31Å; V248-I275 CarbonylContact O-C 3.6Å; V248-I275 VanDerWaalsContact O-CA 3.32Å; V248-I275 WeakPolarHBondContact O-CA 3.34Å; V248-D276 HydrophobicContact CG2-CB 3.92Å; V248-D276 WeakPolarHBondContact CG2-O 3.48Å; V248-D276 PolarHBondContact N-O 3.35Å; V248-D276 PolarHBondContact O-N 2.9Å; V248-P278 HydrophobicContact CG2-CG 4.11Å
249	R	98.7	Very high	95.8	Very high	32 Å²	32	46.2 Å²	46.2	12%	0.121	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	108.4	-176.5	-64.1	172.1	-171.4	-90.2	-0	110	S196 T197 S198 L269 T273 F313 P315	S196-R249 WeakPolarHBondContact O-CD 3.41Å; S196-R249 PolarHBondContact OG-NE 2.89Å; T197-R249 PolarHBondContact O-N 2.76Å; S198-R249 WeakPolarHBondContact CA-O 3.25Å; S198-R249 VanDerWaalsContact CB-O 3.28Å; S198-R249 WeakPolarHBondContact CB-O 3.38Å; R249-L269 VanDerWaalsContact NH1-CD2 3.26Å; R249-T273 HydrophobicContact CB-CG2 3.89Å; R249-T273 HydrophobicContact CG-CG2 4.13Å; R249-F313 PolarHBondContact NH2-O 2.84Å; R249-P315 VanDerWaalsContact CZ-O 3.31Å; R249-P315 PolarHBondContact NH1-O 3.05Å; R249-P315 PolarHBondContact NH2-O 3.02Å
250	I	97.9	Very high	95.1	Very high	11 Å²	11	45 Å²	45	6%	0.056	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	170.9	-178.5	59.1	178.2	0	0	0	110.5	V248 V255 V274 D276	V248-I250 HydrophobicContact CG2-CG2 4.31Å; I250-V255 HydrophobicContact CD1-CG2 3.41Å; I250-V255 VanDerWaalsContact CD1-CG2 3.41Å; I250-V255 HydrophobicContact CG1-CG2 3.86Å; I250-V274 HydrophobicContact CG1-CB 4.2Å; I250-V274 PolarHBondContact N-O 2.96Å; I250-V274 PolarHBondContact O-N 3.31Å; I250-D276 HydrophobicContact CD1-CB 3.85Å; I250-D276 HydrophobicContact CG1-CB 4.37Å
251	T	97.1	Very high	94.5	Very high	69 Å²	69	47.4 Å²	47.4	42%	0.423	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	153.9	-178.6	65	0	0	0	0	111.6	Q253 E254 V255	T251-Q253 PolarHBondContact O-N 3.46Å; T251-E254 PolarHBondContact O-N 3.27Å; T251-E254 VanDerWaalsContact O-N 3.15Å; T251-E254 PolarHBondContact OG1-N 2.84Å; T251-V255 PolarHBondContact O-N 3.26Å
252	H	92.8	Very high	94.1	Very high	54 Å²	54	52.5 Å²	52.5	25%	0.25	28%	0.279	C	S	.	.	H	α-helix	trans	-54.4	-40.9	169.9	-73	-86.5	0	0	0	112.1	E254 V255 D256 S268 D270 E271 V274	H252-E254 VanDerWaalsContact C-N 3.3Å; H252-E254 PolarHBondContact O-N 3.32Å; H252-V255 PolarHBondContact O-N 3.18Å; H252-V255 VanDerWaalsContact O-N 3.14Å; H252-D256 WeakPolarHBondContact O-CB 3.31Å; H252-D256 PolarHBondContact O-N 2.97Å; H252-S268 PolarHBondContact CE1-OG 2.93Å; H252-D270 PolarHBondContact NE2-O 3.44Å; H252-E271 PolarHBondContact CD2-O 3.21Å; H252-V274 HydrophobicContact CB-CG2 4.46Å; H252-V274 VanDerWaalsContact CE1-CG2 3.48Å; H252-V274 WeakPolarHBondContact CE1-CG2 3.46Å; H252-V274 WeakPolarHBondContact ND1-CG2 3.38Å
253	Q	93.4	Very high	93.7	Very high	157 Å²	157	52.5 Å²	52.5	73%	0.734	28%	0.28	S	S	*	.	H	α-helix	trans	-58.8	-39.4	178.1	-174.9	177.9	19	0	0	113	T251 S257	T251-Q253 PolarHBondContact O-N 3.46Å; Q253-S257 VanDerWaalsContact O-CB 3.25Å; Q253-S257 WeakPolarHBondContact O-CB 3.43Å; Q253-S257 PolarHBondContact O-N 3.29Å; Q253-S257 VanDerWaalsContact O-N 3.16Å; Q253-S257 PolarHBondContact O-OG 3.18Å
254	E	94	Very high	93.3	Very high	90 Å²	90	54.8 Å²	54.8	42%	0.421	30%	0.303	S	S	.	.	H	α-helix	trans	-67.3	-42.2	177.4	-174.8	176.8	162	0	0	111.5	T251 H252 S257 R258	T251-E254 PolarHBondContact O-N 3.27Å; T251-E254 VanDerWaalsContact O-N 3.15Å; T251-E254 PolarHBondContact OG1-N 2.84Å; H252-E254 VanDerWaalsContact C-N 3.3Å; H252-E254 PolarHBondContact O-N 3.32Å; E254-S257 PolarHBondContact O-OG 2.71Å; E254-R258 WeakPolarHBondContact O-CB 3.26Å; E254-R258 WeakPolarHBondContact O-CG 3.45Å; E254-R258 PolarHBondContact O-N 2.64Å
255	V	92.1	Very high	93.2	Very high	10 Å²	10	56.4 Å²	56.4	6%	0.061	31%	0.312	C	S	.	.	H	α-helix	trans	-66.5	-42.7	179.2	174.7	0	0	0	0	111.6	I250 T251 H252 S257 N263 T266 V274	I250-V255 HydrophobicContact CD1-CG2 3.41Å; I250-V255 VanDerWaalsContact CD1-CG2 3.41Å; I250-V255 HydrophobicContact CG1-CG2 3.86Å; T251-V255 PolarHBondContact O-N 3.26Å; H252-V255 PolarHBondContact O-N 3.18Å; H252-V255 VanDerWaalsContact O-N 3.14Å; V255-S257 VanDerWaalsContact C-N 3.32Å; V255-S257 PolarHBondContact O-N 3.26Å; V255-N263 PolarHBondContact O-ND2 3.23Å; V255-T266 HydrophobicContact CG1-CG2 4.07Å; V255-T266 HydrophobicContact CG2-CG2 4.09Å; V255-V274 HydrophobicContact CG2-CB 4.04Å; V255-V274 HydrophobicContact CG2-CG1 3.94Å; V255-V274 HydrophobicContact CG2-CG2 4.2Å
256	D	88.8	Confident	93	Very high	119 Å²	119	57.5 Å²	57.5	64%	0.636	32%	0.319	S	S	*	.	H	α-helix	trans	-73.3	-24.6	-178	-66.8	-17.5	0	0	0	112.9	H252	H252-D256 WeakPolarHBondContact O-CB 3.31Å; H252-D256 PolarHBondContact O-N 2.97Å
257	S	90.1	Very high	92.9	Very high	96 Å²	96	58.2 Å²	58.2	67%	0.671	32%	0.323	S	S	*	.	H	α-helix	trans	-94.9	-12.1	-177.4	62.3	0	0	0	0	114.5	Q253 E254 V255	Q253-S257 VanDerWaalsContact O-CB 3.25Å; Q253-S257 WeakPolarHBondContact O-CB 3.43Å; Q253-S257 PolarHBondContact O-N 3.29Å; Q253-S257 VanDerWaalsContact O-N 3.16Å; Q253-S257 PolarHBondContact O-OG 3.18Å; E254-S257 PolarHBondContact O-OG 2.71Å; V255-S257 VanDerWaalsContact C-N 3.32Å; V255-S257 PolarHBondContact O-N 3.26Å
258	R	90.6	Very high	92.8	Very high	58 Å²	58	60.7 Å²	60.7	22%	0.219	34%	0.34	C	S	.	.	S	Bend	trans	-95.4	170	179.6	74.6	-173.6	-172.5	172.5	6.7	112.6	E254 W260 L262 N263 D276	E254-R258 WeakPolarHBondContact O-CB 3.26Å; E254-R258 WeakPolarHBondContact O-CG 3.45Å; E254-R258 PolarHBondContact O-N 2.64Å; R258-W260 PolarHBondContact O-N 3.43Å; R258-L262 HydrophobicContact CG-CD1 4.5Å; R258-L262 PolarHBondContact NH2-O 2.97Å; R258-N263 VanDerWaalsContact CZ-OD1 3.25Å; R258-N263 PolarHBondContact NE-OD1 2.86Å; R258-N263 PolarHBondContact NH2-OD1 3.25Å; R258-D276 IonicContact CZ-OD2 3.58Å; R258-D276 IonicContact NH1-OD2 2.78Å; R258-D276 PolarHBondContact NH1-OD2 2.78Å; R258-D276 VanDerWaalsContact NH1-OD2 3.07Å; R258-D276 IonicContact NH2-OD1 3.47Å; R258-D276 IonicContact NH2-OD2 2.71Å; R258-D276 PolarHBondContact NH2-OD2 2.89Å
259	D	88.9	Confident	92.7	Very high	114 Å²	114	60.8 Å²	60.8	61%	0.61	34%	0.34	S	S	*	.			trans	-62.5	132.2	177.4	-167.2	-33.3	0	0	0	110.4	A261 L262	D259-A261 PolarHBondContact O-N 2.82Å; D259-A261 VanDerWaalsContact O-N 3.11Å; D259-A261 WeakPolarHBondContact OD1-CB 3.34Å; D259-A261 PolarHBondContact OD1-N 2.83Å; D259-L262 WeakPolarHBondContact O-CB 3.42Å; D259-L262 PolarHBondContact O-N 2.91Å
260	W	82.8	Confident	92.5	Very high	84 Å²	84	62.6 Å²	62.6	32%	0.318	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-58.1	-24.8	178.6	-161	-98.8	0	0	0	113.2	R258 L262 N263 Y337 E348 P350	R258-W260 PolarHBondContact O-N 3.43Å; W260-L262 PolarHBondContact O-N 3.05Å; W260-L262 VanDerWaalsContact O-N 3.12Å; W260-N263 HydrophobicContact CD2-CB 4.44Å; W260-N263 HydrophobicContact CE3-CB 4.49Å; W260-N263 PolarHBondContact O-N 2.94Å; W260-Y337 HydrophobicContact CH2-CD1 4.33Å; W260-Y337 HydrophobicContact CH2-CE1 4.15Å; W260-Y337 HydrophobicContact CZ2-CD1 4.03Å; W260-Y337 AromaticContact CZ2-CE1 3.66Å; W260-Y337 HydrophobicContact CZ2-CE1 3.66Å; W260-E348 HydrophobicContact CH2-CG 4.23Å; W260-E348 HydrophobicContact CZ3-CG 4.32Å; W260-P350 VanDerWaalsContact NE1-CD 3.26Å; W260-P350 VanDerWaalsContact NE1-CG 3.27Å
261	A	87	Confident	92.2	Very high	86 Å²	86	71.1 Å²	71.1	71%	0.711	39%	0.392	S	S	*	.	G	3₁₀ helix	trans	-58.4	-21.5	173.5	0	0	0	0	0	113.4	D259	D259-A261 PolarHBondContact O-N 2.82Å; D259-A261 VanDerWaalsContact O-N 3.11Å; D259-A261 WeakPolarHBondContact OD1-CB 3.34Å; D259-A261 PolarHBondContact OD1-N 2.83Å
262	L	89.4	Confident	92.1	Very high	107 Å²	107	75.4 Å²	75.4	56%	0.56	41%	0.407	S	S	*	.	G	3₁₀ helix	trans	-90.9	-8.1	177.3	-57.5	175.5	0	0	0	113.1	R258 D259 W260	R258-L262 HydrophobicContact CG-CD1 4.5Å; R258-L262 PolarHBondContact NH2-O 2.97Å; D259-L262 WeakPolarHBondContact O-CB 3.42Å; D259-L262 PolarHBondContact O-N 2.91Å; W260-L262 PolarHBondContact O-N 3.05Å; W260-L262 VanDerWaalsContact O-N 3.12Å
263	N	91.6	Very high	92.3	Very high	1 Å²	1	74.3 Å²	74.3	1%	0.005	40%	0.404	C	S	.	.			trans	-97.6	18.4	-172.2	-65.6	-15.9	0	0	0	113.4	V255 R258 W260 N265 T266	V255-N263 PolarHBondContact O-ND2 3.23Å; R258-N263 VanDerWaalsContact CZ-OD1 3.25Å; R258-N263 PolarHBondContact NE-OD1 2.86Å; R258-N263 PolarHBondContact NH2-OD1 3.25Å; W260-N263 HydrophobicContact CD2-CB 4.44Å; W260-N263 HydrophobicContact CE3-CB 4.49Å; W260-N263 PolarHBondContact O-N 2.94Å; N263-N265 PolarHBondContact O-N 3.22Å; N263-T266 HydrophobicContact CB-CG2 4.2Å; N263-T266 PolarHBondContact O-OG1 2.85Å
264	G	90.5	Very high	92.5	Very high	47 Å²	47	67 Å²	67	49%	0.485	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-30.2	-177.9	0	0	0	0	0	114
265	N	95.9	Very high	92.7	Very high	35 Å²	35	62.7 Å²	62.7	19%	0.187	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.5	23.3	-175.9	-60.7	-27.3	0	0	0	112.8	Y245 N263 V277 N282	Y245-N265 VanDerWaalsContact OH-C 3.31Å; Y245-N265 WeakPolarHBondContact OH-CA 3.49Å; Y245-N265 PolarHBondContact OH-O 3.26Å; N263-N265 PolarHBondContact O-N 3.22Å; N265-V277 HydrophobicContact CB-CB 3.95Å; N265-V277 PolarHBondContact ND2-O 3.37Å; N265-V277 PolarHBondContact O-N 2.72Å; N265-N282 WeakPolarHBondContact ND2-CB 3.44Å
266	T	95.8	Very high	93	Very high	29 Å²	29	62.3 Å²	62.3	18%	0.178	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	130.4	176	51.9	0	0	0	0	110.6	V255 N263 V274 I275 D276	V255-T266 HydrophobicContact CG1-CG2 4.07Å; V255-T266 HydrophobicContact CG2-CG2 4.09Å; N263-T266 HydrophobicContact CB-CG2 4.2Å; N263-T266 PolarHBondContact O-OG1 2.85Å; T266-V274 HydrophobicContact CG2-CG1 4.2Å; T266-I275 CarbonylContact C-O 3.57Å; T266-I275 WeakPolarHBondContact CA-O 3.4Å; T266-D276 HydrophobicContact CG2-CB 4.08Å
267	L	96.3	Very high	93.5	Very high	16 Å²	16	56.7 Å²	56.7	8%	0.084	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	117.9	177	177.8	64.7	0	0	0	109.5	Y245 L269 I275 Y305 K317	Y245-L267 HydrophobicContact CD1-CB 4.28Å; Y245-L267 HydrophobicContact CD1-CD2 3.85Å; Y245-L267 HydrophobicContact CD2-CD2 3.52Å; Y245-L267 HydrophobicContact CE1-CB 3.91Å; Y245-L267 HydrophobicContact CE1-CD2 4.23Å; Y245-L267 HydrophobicContact CE2-CB 4.3Å; Y245-L267 HydrophobicContact CE2-CD2 3.9Å; Y245-L267 HydrophobicContact CG-CD2 3.48Å; Y245-L267 VanDerWaalsContact CG-CD2 3.48Å; L267-L269 PolarHBondContact O-N 3.39Å; L267-I275 PolarHBondContact N-O 2.92Å; L267-I275 PolarHBondContact O-N 3.1Å; L267-Y305 HydrophobicContact CD1-CD2 3.59Å; L267-Y305 HydrophobicContact CD1-CE2 3.66Å; L267-Y305 HydrophobicContact CD1-CG 4.03Å; L267-Y305 HydrophobicContact CD2-CD1 3.98Å; L267-Y305 HydrophobicContact CD2-CD2 4.5Å; L267-Y305 HydrophobicContact CD2-CE1 4.09Å; L267-Y305 HydrophobicContact CD2-CG 4.19Å; L267-K317 HydrophobicContact CD1-CD 4.24Å; L267-K317 HydrophobicContact CD2-CB 3.8Å; L267-K317 HydrophobicContact CD2-CD 3.74Å; L267-K317 HydrophobicContact CD2-CG 4.26Å; L267-K317 HydrophobicContact CG-CD 3.95Å
268	S	96.6	Very high	93.9	Very high	51 Å²	51	54 Å²	54	36%	0.357	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	126.5	173.8	176.1	0	0	0	0	110.5	H252 D270 K317	H252-S268 PolarHBondContact CE1-OG 2.93Å; S268-D270 PolarHBondContact OG-O 3.44Å; S268-K317 WeakPolarHBondContact O-CD 3.41Å; S268-K317 WeakPolarHBondContact O-CE 3.23Å; S268-K317 PolarHBondContact O-NZ 3.38Å
269	L	95.6	Very high	94.1	Very high	11 Å²	11	58.7 Å²	58.7	6%	0.058	32%	0.322	C	S	.	.			trans	-88.1	-53	173.5	178.3	62	0	0	0	110.1	R249 L267 T273 I275 M307 K317	R249-L269 VanDerWaalsContact NH1-CD2 3.26Å; L267-L269 PolarHBondContact O-N 3.39Å; L269-T273 HydrophobicContact CB-CG2 4.38Å; L269-T273 WeakPolarHBondContact CB-O 3.49Å; L269-T273 HydrophobicContact CD2-CG2 4.16Å; L269-T273 PolarHBondContact N-O 3Å; L269-I275 HydrophobicContact CB-CD1 4.16Å; L269-I275 HydrophobicContact CB-CG1 4.14Å; L269-I275 HydrophobicContact CD1-CD1 4.01Å; L269-I275 HydrophobicContact CD2-CD1 4.19Å; L269-I275 HydrophobicContact CD2-CG1 4.43Å; L269-I275 HydrophobicContact CG-CD1 4.36Å; L269-M307 HydrophobicContact CD1-CE 3.84Å; L269-M307 HydrophobicContact CD1-SD 4.27Å; L269-K317 HydrophobicContact CD1-CG 4.12Å
270	D	94.7	Very high	94.5	Very high	70 Å²	70	56.3 Å²	56.3	37%	0.374	31%	0.313	S	S	.	.	S	Bend	trans	-149.5	-170.7	-178.3	55.3	51.9	0	0	0	109.8	H252 S268 E272 T273	H252-D270 PolarHBondContact NE2-O 3.44Å; S268-D270 PolarHBondContact OG-O 3.44Å; D270-E272 PolarHBondContact O-N 3.06Å; D270-E272 WeakPolarHBondContact OD1-CA 3.44Å; D270-E272 PolarHBondContact OD1-N 3.11Å; D270-T273 PolarHBondContact N-O 3.21Å; D270-T273 WeakPolarHBondContact OD1-CB 3.28Å; D270-T273 PolarHBondContact OD1-N 2.84Å; D270-T273 PolarHBondContact OD1-OG1 3.38Å
271	E	92.8	Very high	95.3	Very high	189 Å²	189	55.7 Å²	55.7	88%	0.883	31%	0.311	S	S	*	.	S	Bend	trans	-66.1	-19.5	-178.2	-62.2	-173.5	176	0	0	113.8	H252	H252-E271 PolarHBondContact CD2-O 3.21Å
272	E	93.8	Very high	95.7	Very high	159 Å²	159	53.2 Å²	53.2	74%	0.743	29%	0.286	S	S	*	.	S	Bend	trans	-106.4	-31.7	-175.5	-60	-172.4	171.7	0	0	112.3	D270	D270-E272 PolarHBondContact O-N 3.06Å; D270-E272 WeakPolarHBondContact OD1-CA 3.44Å; D270-E272 PolarHBondContact OD1-N 3.11Å
273	T	97.1	Very high	96.1	Very high	31 Å²	31	52.6 Å²	52.6	19%	0.19	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	133.7	-165.9	-54.6	0	0	0	0	112.6	R249 L269 D270	R249-T273 HydrophobicContact CB-CG2 3.89Å; R249-T273 HydrophobicContact CG-CG2 4.13Å; L269-T273 HydrophobicContact CB-CG2 4.38Å; L269-T273 WeakPolarHBondContact CB-O 3.49Å; L269-T273 HydrophobicContact CD2-CG2 4.16Å; L269-T273 PolarHBondContact N-O 3Å; D270-T273 PolarHBondContact N-O 3.21Å; D270-T273 WeakPolarHBondContact OD1-CB 3.28Å; D270-T273 PolarHBondContact OD1-N 2.84Å; D270-T273 PolarHBondContact OD1-OG1 3.38Å
274	V	97.9	Very high	96.4	Very high	4 Å²	4	55 Å²	55	2%	0.024	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	131.8	165.8	-178.1	0	0	0	0	108.9	I250 H252 V255 T266	I250-V274 HydrophobicContact CG1-CB 4.2Å; I250-V274 PolarHBondContact N-O 2.96Å; I250-V274 PolarHBondContact O-N 3.31Å; H252-V274 HydrophobicContact CB-CG2 4.46Å; H252-V274 VanDerWaalsContact CE1-CG2 3.48Å; H252-V274 WeakPolarHBondContact CE1-CG2 3.46Å; H252-V274 WeakPolarHBondContact ND1-CG2 3.38Å; V255-V274 HydrophobicContact CG2-CB 4.04Å; V255-V274 HydrophobicContact CG2-CG1 3.94Å; V255-V274 HydrophobicContact CG2-CG2 4.2Å; T266-V274 HydrophobicContact CG2-CG1 4.2Å
275	I	98.6	Very high	96.8	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	133.6	169.2	-67.3	175.5	0	0	0	108.3	Y245 G247 V248 T266 L267 L269 I316	Y245-I275 HydrophobicContact CD1-CG2 3.84Å; Y245-I275 HydrophobicContact CE1-CG2 4.13Å; G247-I275 VanDerWaalsContact CA-CG2 3.49Å; V248-I275 CarbonylContact O-C 3.6Å; V248-I275 VanDerWaalsContact O-CA 3.32Å; V248-I275 WeakPolarHBondContact O-CA 3.34Å; T266-I275 CarbonylContact C-O 3.57Å; T266-I275 WeakPolarHBondContact CA-O 3.4Å; L267-I275 PolarHBondContact N-O 2.92Å; L267-I275 PolarHBondContact O-N 3.1Å; L269-I275 HydrophobicContact CB-CD1 4.16Å; L269-I275 HydrophobicContact CB-CG1 4.14Å; L269-I275 HydrophobicContact CD1-CD1 4.01Å; L269-I275 HydrophobicContact CD2-CD1 4.19Å; L269-I275 HydrophobicContact CD2-CG1 4.43Å; L269-I275 HydrophobicContact CG-CD1 4.36Å; I275-I316 HydrophobicContact CD1-CB 4.15Å; I275-I316 HydrophobicContact CD1-CG2 4.17Å
276	D	98.6	Very high	96.9	Very high	2 Å²	2	60.6 Å²	60.6	1%	0.011	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	144.1	176.6	-170.5	16.3	0	0	0	111.5	G247 V248 I250 R258 T266 P278	G247-D276 CarbonylContact C-O 3.6Å; G247-D276 WeakPolarHBondContact CA-O 3.43Å; V248-D276 HydrophobicContact CG2-CB 3.92Å; V248-D276 WeakPolarHBondContact CG2-O 3.48Å; V248-D276 PolarHBondContact N-O 3.35Å; V248-D276 PolarHBondContact O-N 2.9Å; I250-D276 HydrophobicContact CD1-CB 3.85Å; I250-D276 HydrophobicContact CG1-CB 4.37Å; R258-D276 IonicContact CZ-OD2 3.58Å; R258-D276 IonicContact NH1-OD2 2.78Å; R258-D276 PolarHBondContact NH1-OD2 2.78Å; R258-D276 VanDerWaalsContact NH1-OD2 3.07Å; R258-D276 IonicContact NH2-OD1 3.47Å; R258-D276 IonicContact NH2-OD2 2.71Å; R258-D276 PolarHBondContact NH2-OD2 2.89Å; T266-D276 HydrophobicContact CG2-CB 4.08Å; D276-P278 VanDerWaalsContact C-CD 3.44Å; D276-P278 VanDerWaalsContact O-CD 3.25Å; D276-P278 WeakPolarHBondContact O-CD 3.44Å
277	V	98.6	Very high	97	Very high	1 Å²	1	59.2 Å²	59.2	1%	0.006	31%	0.306	C	S	.	.			trans	-114	80.8	169.8	-171.8	0	0	0	0	108.4	I201 Y245 N246 N265 Y281 Y287 H293	I201-V277 HydrophobicContact CD1-CG1 4.11Å; I201-V277 HydrophobicContact CD1-CG2 4.48Å; Y245-V277 HydrophobicContact CE1-CG2 4.15Å; N246-V277 WeakPolarHBondContact O-CG2 3.33Å; N265-V277 HydrophobicContact CB-CB 3.95Å; N265-V277 PolarHBondContact ND2-O 3.37Å; N265-V277 PolarHBondContact O-N 2.72Å; V277-Y281 WeakPolarHBondContact CG1-O 3.49Å; V277-Y287 HydrophobicContact CG1-CD1 4.28Å; V277-H293 HydrophobicContact CB-CB 4.12Å; V277-H293 HydrophobicContact CG2-CB 3.74Å
278	P	97.8	Very high	97.2	Very high	39 Å²	39	59.7 Å²	59.7	25%	0.253	31%	0.311	S	S	.	.			trans	-73.9	166.9	-174.7	31.1	-37	0	0	0	111.7	V248 D276 Y281 N282	V248-P278 HydrophobicContact CG2-CG 4.11Å; D276-P278 VanDerWaalsContact C-CD 3.44Å; D276-P278 VanDerWaalsContact O-CD 3.25Å; D276-P278 WeakPolarHBondContact O-CD 3.44Å; P278-Y281 HydrophobicContact CG-CD2 4.37Å; P278-Y281 WeakPolarHBondContact O-CA 3.19Å; P278-Y281 WeakPolarHBondContact O-CB 3.3Å; P278-Y281 PolarHBondContact O-N 2.83Å; P278-N282 PolarHBondContact O-N 2.74Å
279	E	96.1	Very high	97.3	Very high	156 Å²	156	57.3 Å²	57.3	73%	0.729	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	140.8	164.7	-70.9	-169.2	175.8	0	0	110.7	N282	E279-N282 WeakPolarHBondContact CA-OD1 3.42Å
280	P	97.2	Very high	97.4	Very high	65 Å²	65	56.8 Å²	56.8	42%	0.422	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	cis	-91.5	7.4	2.9	38.5	-37.2	0	0	0	114	N282 H283 K286	P280-N282 VanDerWaalsContact C-N 3.27Å; P280-N282 PolarHBondContact O-N 3.32Å; P280-N282 PolarHBondContact O-OD1 2.8Å; P280-H283 PolarHBondContact O-N 2.91Å; P280-K286 HydrophobicContact CB-CG 4.28Å; P280-K286 VanDerWaalsContact O-CB 3.29Å; P280-K286 WeakPolarHBondContact O-CB 3.28Å
281	Y	98.5	Very high	97.6	Very high	71 Å²	71	54.4 Å²	54.4	28%	0.278	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-12	-173.1	-56.4	-57.7	0	0	0	113.7	I201 V277 P278 H283 Y287	I201-Y281 HydrophobicContact CB-CD2 4.25Å; I201-Y281 HydrophobicContact CB-CE2 4.3Å; I201-Y281 HydrophobicContact CD1-CD2 4.23Å; I201-Y281 HydrophobicContact CD1-CG 4.18Å; I201-Y281 HydrophobicContact CG2-CD1 3.96Å; I201-Y281 HydrophobicContact CG2-CD2 3.82Å; I201-Y281 HydrophobicContact CG2-CE1 3.87Å; I201-Y281 HydrophobicContact CG2-CE2 3.73Å; I201-Y281 HydrophobicContact CG2-CG 3.92Å; V277-Y281 WeakPolarHBondContact CG1-O 3.49Å; P278-Y281 HydrophobicContact CG-CD2 4.37Å; P278-Y281 WeakPolarHBondContact O-CA 3.19Å; P278-Y281 WeakPolarHBondContact O-CB 3.3Å; P278-Y281 PolarHBondContact O-N 2.83Å; Y281-H283 PolarHBondContact O-N 2.96Å; Y281-H283 VanDerWaalsContact O-N 3.15Å; Y281-Y287 WeakPolarHBondContact O-CB 3.46Å
282	N	97	Very high	97.9	Very high	33 Å²	33	45.4 Å²	45.4	18%	0.176	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-10.6	166.1	67	-36.4	0	0	0	113.1	N265 P278 E279 P280 K294	N265-N282 WeakPolarHBondContact ND2-CB 3.44Å; P278-N282 PolarHBondContact O-N 2.74Å; E279-N282 WeakPolarHBondContact CA-OD1 3.42Å; P280-N282 VanDerWaalsContact C-N 3.27Å; P280-N282 PolarHBondContact O-N 3.32Å; P280-N282 PolarHBondContact O-OD1 2.8Å; N282-K294 WeakPolarHBondContact O-CE 3.43Å; N282-K294 PolarHBondContact O-NZ 3.15Å
283	H	98	Very high	98.1	Very high	94 Å²	94	38.2 Å²	38.2	44%	0.435	20%	0.203	S	C	.	.	S	Bend	trans	-98.4	128.4	174.3	-61.7	-72.9	0	0	0	111.5	P280 Y281 S285 K286 Y287	P280-H283 PolarHBondContact O-N 2.91Å; Y281-H283 PolarHBondContact O-N 2.96Å; Y281-H283 VanDerWaalsContact O-N 3.15Å; H283-S285 PolarHBondContact O-N 2.8Å; H283-K286 HydrophobicContact CB-CG 4.33Å; H283-K286 WeakPolarHBondContact O-CA 3.22Å; H283-K286 WeakPolarHBondContact O-CB 3.4Å; H283-K286 PolarHBondContact O-N 2.79Å; H283-Y287 PolarHBondContact O-N 2.79Å
284	V	97.6	Very high	98.2	Very high	52 Å²	52	37.9 Å²	37.9	32%	0.315	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-23.1	-179.7	-62.4	0	0	0	0	114.1	V218 K286 Y287 L291	V218-V284 HydrophobicContact CB-CG1 4.28Å; V218-V284 HydrophobicContact CG1-CG1 4.21Å; V218-V284 HydrophobicContact CG2-CG1 4.03Å; V284-K286 PolarHBondContact O-N 2.94Å; V284-Y287 WeakPolarHBondContact CA-O 3.23Å; V284-L291 HydrophobicContact CG1-CD2 4.24Å
285	S	97.9	Very high	98.2	Very high	84 Å²	84	37.7 Å²	37.7	59%	0.587	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-10.2	174.4	65.5	0	0	0	0	114.1	H283	H283-S285 PolarHBondContact O-N 2.8Å
286	K	98.6	Very high	98.2	Very high	116 Å²	116	38.7 Å²	38.7	50%	0.504	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117	-28	-179.6	-61.1	-59.9	-177.7	-174.6	0	112.5	P280 H283 V284	P280-K286 HydrophobicContact CB-CG 4.28Å; P280-K286 VanDerWaalsContact O-CB 3.29Å; P280-K286 WeakPolarHBondContact O-CB 3.28Å; H283-K286 HydrophobicContact CB-CG 4.33Å; H283-K286 WeakPolarHBondContact O-CA 3.22Å; H283-K286 WeakPolarHBondContact O-CB 3.4Å; H283-K286 PolarHBondContact O-N 2.79Å; V284-K286 PolarHBondContact O-N 2.94Å
287	Y	98.8	Very high	98.1	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.203	C	C	.	.			trans	-149	121.8	176.2	175.8	-101.2	0	0	0	110.5	I201 A205 N246 V277 Y281 H283 V284 A289 S290 H293	I201-Y287 HydrophobicContact CD1-CD1 4.22Å; I201-Y287 HydrophobicContact CD1-CD2 3.91Å; I201-Y287 HydrophobicContact CD1-CE1 4.03Å; I201-Y287 HydrophobicContact CD1-CE2 3.7Å; I201-Y287 HydrophobicContact CD1-CG 4.17Å; I201-Y287 HydrophobicContact CG1-CD2 4.23Å; I201-Y287 HydrophobicContact CG1-CE2 3.73Å; I201-Y287 HydrophobicContact CG2-CD2 4Å; I201-Y287 HydrophobicContact CG2-CE2 4.17Å; A205-Y287 HydrophobicContact CB-CD2 3.98Å; A205-Y287 CarbonylContact O-C 3.44Å; A205-Y287 WeakPolarHBondContact O-CA 3.24Å; N246-Y287 WeakPolarHBondContact CB-OH 3.47Å; N246-Y287 PolarHBondContact ND2-OH 3.08Å; V277-Y287 HydrophobicContact CG1-CD1 4.28Å; Y281-Y287 WeakPolarHBondContact O-CB 3.46Å; H283-Y287 PolarHBondContact O-N 2.79Å; V284-Y287 WeakPolarHBondContact CA-O 3.23Å; Y287-A289 HydrophobicContact CD2-CB 4.26Å; Y287-A289 HydrophobicContact CE2-CB 3.67Å; Y287-S290 WeakPolarHBondContact CE1-O 3.27Å; Y287-S290 WeakPolarHBondContact OH-CB 3.41Å; Y287-S290 PolarHBondContact OH-N 3Å; Y287-S290 PolarHBondContact OH-OG 2.83Å; Y287-H293 AromaticContact CD1-CE1 3.82Å
288	C	98.6	Very high	98	Very high	26 Å²	26	39.9 Å²	39.9	18%	0.176	21%	0.211	C	C	.	.			trans	-139.3	16.1	174.3	62.6	0	0	0	0	112.1	A205 P208 S290 L291	A205-C288 PolarHBondContact O-N 2.93Å; P208-C288 WeakPolarHBondContact CA-O 3.41Å; C288-S290 PolarHBondContact O-N 3.01Å; C288-L291 HydrophobicContact CB-CD2 4.39Å
289	A	98.8	Very high	97.8	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.207	C	C	.	.	S	Bend	trans	-64.7	-30.6	175	0	0	0	0	0	112.4	A205 L207 D209 Y287 F313	A205-A289 PolarHBondContact O-N 3.1Å; A205-A289 VanDerWaalsContact O-N 3.14Å; L207-A289 VanDerWaalsContact O-CA 3.25Å; L207-A289 WeakPolarHBondContact O-CA 3.3Å; L207-A289 WeakPolarHBondContact O-CB 3.46Å; D209-A289 PolarHBondContact N-O 3.33Å; Y287-A289 HydrophobicContact CD2-CB 4.26Å; Y287-A289 HydrophobicContact CE2-CB 3.67Å; A289-F313 HydrophobicContact CB-CE1 4.22Å; A289-F313 HydrophobicContact CB-CZ 4.05Å; A289-F313 WeakPolarHBondContact O-CZ 3.17Å
290	S	98.9	Very high	97.8	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.203	C	C	.	.			trans	-145.7	151.7	168.7	86.6	0	0	0	0	110.5	E212 F244 N246 Y287 C288 H293	E212-S290 VanDerWaalsContact OE2-CA 3.27Å; E212-S290 WeakPolarHBondContact OE2-CA 3.35Å; F244-S290 WeakPolarHBondContact O-CB 3.38Å; F244-S290 PolarHBondContact O-OG 3.22Å; F244-S290 VanDerWaalsContact O-OG 3.12Å; N246-S290 PolarHBondContact N-OG 2.88Å; N246-S290 VanDerWaalsContact N-OG 3.16Å; Y287-S290 WeakPolarHBondContact CE1-O 3.27Å; Y287-S290 WeakPolarHBondContact OH-CB 3.41Å; Y287-S290 PolarHBondContact OH-N 3Å; Y287-S290 PolarHBondContact OH-OG 2.83Å; C288-S290 PolarHBondContact O-N 3.01Å; S290-H293 PolarHBondContact O-CE1 3.43Å
291	L	98.9	Very high	97.8	Very high	20 Å²	20	35.7 Å²	35.7	11%	0.105	19%	0.191	C	C	.	.			trans	-122.5	4.4	-171.1	-62.4	173.7	0	0	0	114.6	E212 V216 V218 L230 F244 V284 C288 H293 K294	E212-L291 VanDerWaalsContact CD-N 3.32Å; E212-L291 PolarHBondContact OE1-N 3.16Å; E212-L291 WeakPolarHBondContact OE2-CB 3.25Å; E212-L291 WeakPolarHBondContact OE2-CG 3.45Å; E212-L291 PolarHBondContact OE2-N 3.28Å; V216-L291 HydrophobicContact CG2-CD1 4.42Å; V218-L291 HydrophobicContact CG2-CD1 4.22Å; V218-L291 HydrophobicContact CG2-CD2 4.04Å; L230-L291 HydrophobicContact CD1-CB 3.9Å; F244-L291 PolarHBondContact O-N 2.8Å; V284-L291 HydrophobicContact CG1-CD2 4.24Å; C288-L291 HydrophobicContact CB-CD2 4.39Å; L291-H293 PolarHBondContact O-N 2.92Å; L291-H293 VanDerWaalsContact O-N 3.08Å; L291-K294 WeakPolarHBondContact O-CB 3.44Å; L291-K294 PolarHBondContact O-N 3.25Å
292	G	98.8	Very high	97.8	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-58.2	-29.3	-175.7	0	0	0	0	0	114.2	S243 F244 Y245 K294 A295 I319	S243-G292 VanDerWaalsContact OG-CA 3.24Å; S243-G292 WeakPolarHBondContact OG-CA 3.4Å; S243-G292 PolarHBondContact OG-N 2.94Å; F244-G292 WeakPolarHBondContact O-CA 3.5Å; F244-G292 PolarHBondContact O-N 2.74Å; Y245-G292 VanDerWaalsContact CD2-C 3.48Å; G292-K294 PolarHBondContact O-N 2.83Å; G292-K294 VanDerWaalsContact O-N 3.09Å; G292-A295 PolarHBondContact O-N 3.21Å; G292-I319 WeakPolarHBondContact O-CD1 3.12Å
293	H	98.7	Very high	97.9	Very high	9 Å²	9	31.1 Å²	31.1	4%	0.042	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-67.7	-4.2	175.9	70	-81.6	0	0	0	114.4	Y245 V277 Y287 S290 L291	Y245-H293 HydrophobicContact CE1-CB 4.02Å; Y245-H293 HydrophobicContact CE2-CB 4.05Å; V277-H293 HydrophobicContact CB-CB 4.12Å; V277-H293 HydrophobicContact CG2-CB 3.74Å; Y287-H293 AromaticContact CD1-CE1 3.82Å; S290-H293 PolarHBondContact O-CE1 3.43Å; L291-H293 PolarHBondContact O-N 2.92Å; L291-H293 VanDerWaalsContact O-N 3.08Å
294	K	98.7	Very high	98	Very high	23 Å²	23	29.6 Å²	29.6	10%	0.1	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-95.1	-8.7	176.3	-64.7	-70.3	176.5	-175.9	0	114	V218 E228 G229 L230 N282 L291 G292 N296	V218-K294 HydrophobicContact CG1-CD 4.11Å; V218-K294 HydrophobicContact CG1-CG 4.27Å; V218-K294 HydrophobicContact CG2-CB 4.06Å; V218-K294 HydrophobicContact CG2-CG 3.81Å; E228-K294 HydrophobicContact CB-CD 4.37Å; E228-K294 WeakPolarHBondContact OE2-CE 3.42Å; E228-K294 IonicContact OE2-NZ 3.96Å; E228-K294 PolarHBondContact OE2-NZ 3.12Å; G229-K294 CarbonylContact C-O 3.49Å; G229-K294 WeakPolarHBondContact CA-O 3.31Å; L230-K294 HydrophobicContact CB-CB 4.21Å; L230-K294 HydrophobicContact CD1-CB 4.34Å; L230-K294 PolarHBondContact N-O 3.46Å; L230-K294 VanDerWaalsContact N-O 3.11Å; N282-K294 WeakPolarHBondContact O-CE 3.43Å; N282-K294 PolarHBondContact O-NZ 3.15Å; L291-K294 WeakPolarHBondContact O-CB 3.44Å; L291-K294 PolarHBondContact O-N 3.25Å; G292-K294 PolarHBondContact O-N 2.83Å; G292-K294 VanDerWaalsContact O-N 3.09Å; K294-N296 PolarHBondContact O-N 3.49Å
295	A	98.6	Very high	98	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.159	C	C	.	.	P	Polyproline II helix	trans	-74.8	121.2	176.1	0	0	0	0	0	110.2	L230 G292 I319 V333 Y335	L230-A295 HydrophobicContact CB-CB 4.12Å; L230-A295 HydrophobicContact CD2-CB 4.14Å; G292-A295 PolarHBondContact O-N 3.21Å; A295-I319 HydrophobicContact CB-CD1 3.27Å; A295-V333 HydrophobicContact CB-CG2 4.27Å; A295-Y335 PolarHBondContact O-OH 3.26Å
296	N	98.2	Very high	98	Very high	21 Å²	21	27.9 Å²	27.9	11%	0.112	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	164.5	-179	-78	-49.9	0	0	0	112.7	S221 I223 E228 G229 K294 E330 T332 V333	S221-N296 WeakPolarHBondContact CB-ND2 3.19Å; S221-N296 PolarHBondContact OG-ND2 2.92Å; I223-N296 HydrophobicContact CD1-CB 3.9Å; E228-N296 PolarHBondContact O-ND2 2.98Å; G229-N296 WeakPolarHBondContact CA-ND2 3.49Å; K294-N296 PolarHBondContact O-N 3.49Å; N296-E330 PolarHBondContact ND2-OE1 2.83Å; N296-T332 VanDerWaalsContact O-CA 3.27Å; N296-T332 WeakPolarHBondContact O-CA 3.24Å; N296-T332 WeakPolarHBondContact O-CB 3.4Å; N296-V333 PolarHBondContact O-N 2.83Å
297	H	96.6	Very high	98	Very high	6 Å²	6	26.8 Å²	26.8	3%	0.028	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	143.1	172.7	179.7	49.7	0	0	0	112.4	I223 F299 V333 Y335 W352 Y353 E356	I223-H297 WeakPolarHBondContact CD1-O 3.21Å; H297-F299 AromaticContact NE2-CD1 3.84Å; H297-F299 AromaticContact NE2-CD2 3.49Å; H297-F299 WeakPolarHBondContact NE2-CD2 3.19Å; H297-F299 AromaticContact NE2-CE1 3.69Å; H297-F299 AromaticContact NE2-CE2 3.31Å; H297-F299 VanDerWaalsContact NE2-CE2 3.31Å; H297-F299 WeakPolarHBondContact NE2-CE2 3.16Å; H297-F299 AromaticContact NE2-CG 3.74Å; H297-F299 AromaticContact NE2-CZ 3.42Å; H297-F299 WeakPolarHBondContact NE2-CZ 3.23Å; H297-V333 CarbonylContact C-O 3.53Å; H297-V333 VanDerWaalsContact CA-O 3.25Å; H297-V333 WeakPolarHBondContact CA-O 3.06Å; H297-V333 PolarHBondContact ND1-O 2.8Å; H297-V333 VanDerWaalsContact ND1-O 3.12Å; H297-Y335 HydrophobicContact CB-CD1 3.85Å; H297-Y335 HydrophobicContact CB-CD2 3.99Å; H297-Y335 HydrophobicContact CB-CE1 3.85Å; H297-Y335 HydrophobicContact CB-CE2 3.99Å; H297-Y335 HydrophobicContact CB-CG 3.92Å; H297-Y335 PolarHBondContact ND1-N 2.79Å; H297-W352 HydrophobicContact CB-CH2 3.56Å; H297-W352 HydrophobicContact CB-CZ3 3.79Å; H297-W352 AromaticContact CD2-CZ3 3.79Å; H297-Y353 AromaticContact CD2-CD2 3.56Å; H297-Y353 AromaticContact CD2-CE2 3.56Å; H297-Y353 AromaticContact CE1-CE2 3.51Å; H297-Y353 AromaticContact CG-CE2 3.97Å; H297-Y353 AromaticContact ND1-CE2 3.94Å; H297-Y353 AromaticContact NE2-CD2 3.7Å; H297-Y353 AromaticContact NE2-CE2 3.21Å; H297-Y353 WeakPolarHBondContact NE2-CE2 3.21Å; H297-E356 IonicContact CD2-OE2 3.85Å
298	S	95.9	Very high	98	Very high	23 Å²	23	26.9 Å²	26.9	16%	0.161	14%	0.143	C	C	.	.			trans	-145.1	146.6	158.6	176.9	0	0	0	0	110.9	T300 P301 T332 V333	S298-T300 VanDerWaalsContact C-N 3.28Å; S298-T300 PolarHBondContact OG-N 2.85Å; S298-T300 PolarHBondContact OG-O 2.71Å; S298-P301 WeakPolarHBondContact O-CD 3.48Å; S298-T332 WeakPolarHBondContact CB-OG1 3.38Å; S298-V333 PolarHBondContact N-O 2.87Å
299	F	94.5	Very high	98	Very high	40 Å²	40	28.1 Å²	28.1	18%	0.175	15%	0.15	C	C	.	.	S	Bend	trans	-78.6	-12.3	169.2	-73.1	-72.6	0	0	0	113.3	H297 Y353 E356 L357 F360	H297-F299 AromaticContact NE2-CD1 3.84Å; H297-F299 AromaticContact NE2-CD2 3.49Å; H297-F299 WeakPolarHBondContact NE2-CD2 3.19Å; H297-F299 AromaticContact NE2-CE1 3.69Å; H297-F299 AromaticContact NE2-CE2 3.31Å; H297-F299 VanDerWaalsContact NE2-CE2 3.31Å; H297-F299 WeakPolarHBondContact NE2-CE2 3.16Å; H297-F299 AromaticContact NE2-CG 3.74Å; H297-F299 AromaticContact NE2-CZ 3.42Å; H297-F299 WeakPolarHBondContact NE2-CZ 3.23Å; F299-Y353 HydrophobicContact CE1-CE1 4.19Å; F299-Y353 HydrophobicContact CE1-CE2 4.14Å; F299-Y353 AromaticContact CE1-CZ 3.64Å; F299-Y353 VanDerWaalsContact CE1-OH 3.31Å; F299-Y353 WeakPolarHBondContact CE1-OH 3.44Å; F299-Y353 HydrophobicContact CZ-CD1 4.26Å; F299-Y353 HydrophobicContact CZ-CD2 4.23Å; F299-Y353 AromaticContact CZ-CE1 3.75Å; F299-Y353 HydrophobicContact CZ-CE1 3.75Å; F299-Y353 AromaticContact CZ-CE2 3.73Å; F299-Y353 HydrophobicContact CZ-CE2 3.73Å; F299-Y353 HydrophobicContact CZ-CG 4.48Å; F299-Y353 AromaticContact CZ-CZ 3.45Å; F299-Y353 VanDerWaalsContact CZ-CZ 3.45Å; F299-E356 HydrophobicContact CD2-CB 4.27Å; F299-E356 HydrophobicContact CE2-CB 3.71Å; F299-L357 HydrophobicContact CD1-CD1 4.34Å; F299-L357 HydrophobicContact CE1-CB 4.35Å; F299-L357 HydrophobicContact CE1-CD1 3.55Å; F299-L357 HydrophobicContact CE2-CB 4.12Å; F299-L357 HydrophobicContact CZ-CB 3.61Å; F299-L357 HydrophobicContact CZ-CD1 3.73Å; F299-L357 HydrophobicContact CZ-CG 4.24Å; F299-F360 HydrophobicContact CB-CB 4.19Å; F299-F360 HydrophobicContact CB-CD1 3.9Å; F299-F360 HydrophobicContact CB-CD2 3.58Å; F299-F360 HydrophobicContact CB-CE1 4.13Å; F299-F360 HydrophobicContact CB-CE2 3.84Å; F299-F360 HydrophobicContact CB-CG 3.61Å; F299-F360 HydrophobicContact CB-CZ 4.1Å; F299-F360 HydrophobicContact CD1-CD1 4.1Å; F299-F360 HydrophobicContact CD1-CG 4.44Å; F299-F360 HydrophobicContact CD2-CB 3.97Å; F299-F360 HydrophobicContact CD2-CG 4.28Å; F299-F360 HydrophobicContact CG-CB 4.06Å; F299-F360 AromaticContact CG-CD1 3.98Å; F299-F360 HydrophobicContact CG-CD1 3.98Å; F299-F360 HydrophobicContact CG-CD2 4.34Å; F299-F360 AromaticContact CG-CG 3.86Å; F299-F360 HydrophobicContact CG-CG 3.86Å
300	T	95.4	Very high	98	Very high	104 Å²	104	28.3 Å²	28.3	64%	0.638	15%	0.151	S	C	*	.	S	Bend	trans	-124	65.1	170.3	56.8	0	0	0	0	108.7	S298 F360	S298-T300 VanDerWaalsContact C-N 3.28Å; S298-T300 PolarHBondContact OG-N 2.85Å; S298-T300 PolarHBondContact OG-O 2.71Å; T300-F360 HydrophobicContact CG2-CE2 3.84Å
301	P	97.9	Very high	98	Very high	27 Å²	27	29 Å²	29	18%	0.175	16%	0.155	C	C	.	.			trans	-72.9	151.8	-172.4	33.6	-37.9	0	0	0	111.4	S298 C303 L322 T332 A334	S298-P301 WeakPolarHBondContact O-CD 3.48Å; P301-C303 WeakPolarHBondContact CB-O 3.47Å; P301-L322 HydrophobicContact CG-CD1 4.44Å; P301-T332 VanDerWaalsContact CB-O 3.28Å; P301-T332 WeakPolarHBondContact CB-O 3.26Å; P301-A334 HydrophobicContact CG-CB 4.08Å
302	N	98.6	Very high	98	Very high	8 Å²	8	28.1 Å²	28.1	4%	0.043	15%	0.151	C	C	.	.	S	Bend	trans	-93.8	-6.1	169.6	56.2	9.4	0	0	0	112.3	L322 Q323 V325 E329 E330 T332	N302-L322 PolarHBondContact O-N 2.96Å; N302-Q323 HydrophobicContact CB-CG 4.14Å; N302-V325 HydrophobicContact CB-CG2 4.22Å; N302-E329 PolarHBondContact ND2-OE1 3.32Å; N302-E330 PolarHBondContact ND2-O 2.98Å; N302-T332 PolarHBondContact N-O 3.01Å; N302-T332 PolarHBondContact OD1-N 3.2Å; N302-T332 PolarHBondContact OD1-O 3.1Å; N302-T332 PolarHBondContact OD1-OG1 3.18Å
303	C	98.8	Very high	98	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	166.9	178.7	-55.5	0	0	0	0	113.1	P301 I319 R320 T332 V333	P301-C303 WeakPolarHBondContact CB-O 3.47Å; C303-I319 HydrophobicContact CB-CG2 3.49Å; C303-I319 VanDerWaalsContact CB-CG2 3.49Å; C303-R320 CarbonylContact C-O 3.58Å; C303-R320 WeakPolarHBondContact CA-O 3.06Å; C303-R320 WeakPolarHBondContact CB-O 3.41Å; C303-T332 WeakPolarHBondContact CB-O 3.25Å; C303-T332 PolarHBondContact N-O 2.87Å; C303-V333 HydrophobicContact CB-CG1 3.75Å
304	I	98.6	Very high	98	Very high	63 Å²	63	27.9 Å²	27.9	32%	0.323	15%	0.151	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	157.9	170.4	49.9	167.2	0	0	0	111.1	I319 R320 L322	I304-I319 WeakPolarHBondContact O-CA 3.27Å; I304-R320 HydrophobicContact CG1-CB 4.26Å; I304-R320 PolarHBondContact N-O 3.38Å; I304-R320 PolarHBondContact O-N 3Å; I304-L322 HydrophobicContact CB-CD2 4.39Å; I304-L322 HydrophobicContact CB-CG 4.47Å; I304-L322 HydrophobicContact CD1-CD2 4.08Å; I304-L322 HydrophobicContact CG1-CD2 4.02Å; I304-L322 HydrophobicContact CG1-CG 4.31Å; I304-L322 HydrophobicContact CG2-CD1 3.69Å; I304-L322 HydrophobicContact CG2-CD2 3.57Å; I304-L322 HydrophobicContact CG2-CG 3.67Å
305	Y	98.6	Very high	98	Very high	44 Å²	44	29.6 Å²	29.6	17%	0.173	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	134.4	158.3	-62.8	-54.5	0	0	0	110	Y245 L267 C318 I319 V333 Y335	Y245-Y305 HydrophobicContact CD2-CD1 4.36Å; Y245-Y305 AromaticContact CD2-CE1 3.62Å; Y245-Y305 HydrophobicContact CD2-CE1 3.62Å; Y245-Y305 AromaticContact CE2-CE1 3.93Å; Y245-Y305 HydrophobicContact CE2-CE1 3.93Å; L267-Y305 HydrophobicContact CD1-CD2 3.59Å; L267-Y305 HydrophobicContact CD1-CE2 3.66Å; L267-Y305 HydrophobicContact CD1-CG 4.03Å; L267-Y305 HydrophobicContact CD2-CD1 3.98Å; L267-Y305 HydrophobicContact CD2-CD2 4.5Å; L267-Y305 HydrophobicContact CD2-CE1 4.09Å; L267-Y305 HydrophobicContact CD2-CG 4.19Å; Y305-C318 VanDerWaalsContact CA-O 3.3Å; Y305-C318 WeakPolarHBondContact CA-O 3.31Å; Y305-I319 HydrophobicContact CD1-CG1 4.13Å; Y305-I319 HydrophobicContact CE1-CD1 4.35Å; Y305-I319 HydrophobicContact CE1-CG1 4.06Å; Y305-V333 HydrophobicContact CE1-CB 4.48Å; Y305-V333 HydrophobicContact CE1-CG1 4.35Å; Y305-V333 HydrophobicContact CE1-CG2 3.96Å; Y305-V333 HydrophobicContact CE2-CB 4.25Å; Y305-V333 HydrophobicContact CE2-CG2 3.77Å; Y305-V333 VanDerWaalsContact CZ-CG2 3.43Å; Y305-V333 WeakPolarHBondContact OH-CG2 3.26Å; Y305-Y335 HydrophobicContact CE2-CD1 4.43Å
306	D	98.4	Very high	98	Very high	56 Å²	56	29.6 Å²	29.6	30%	0.299	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	159.9	178.7	-165.6	12.5	0	0	0	110.3	K317 C318 R320	D306-K317 CarbonylContact O-C 3.55Å; D306-K317 WeakPolarHBondContact O-CA 3.16Å; D306-K317 WeakPolarHBondContact O-CB 3.38Å; D306-C318 PolarHBondContact N-O 3.25Å; D306-C318 PolarHBondContact O-N 3.07Å; D306-R320 HydrophobicContact CB-CB 4.28Å; D306-R320 IonicContact OD2-CZ 3Å; D306-R320 IonicContact OD2-NE 3.63Å; D306-R320 PolarHBondContact OD2-NE 3.04Å; D306-R320 IonicContact OD2-NH2 3.23Å; D306-R320 PolarHBondContact OD2-NH2 2.76Å
307	M	98.3	Very high	98	Very high	92 Å²	92	30.5 Å²	30.5	45%	0.453	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	145.8	178.7	-67.2	-58.3	-66.6	0	0	111	L269 K317	L269-M307 HydrophobicContact CD1-CE 3.84Å; L269-M307 HydrophobicContact CD1-SD 4.27Å; M307-K317 HydrophobicContact SD-CG 4.1Å
308	F	98.8	Very high	98.1	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.009	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	132	179.4	-161.8	-88	0	0	0	112.4	D125 Y146 P149 V241 F244 H310 I316 C318	D125-F308 HydrophobicContact CB-CD2 3.52Å; D125-F308 HydrophobicContact CB-CE2 3.87Å; D125-F308 HydrophobicContact CB-CG 4.26Å; D125-F308 WeakPolarHBondContact OD1-CE2 3.39Å; Y146-F308 WeakPolarHBondContact OH-CE1 3.44Å; Y146-F308 WeakPolarHBondContact OH-CZ 3.5Å; P149-F308 HydrophobicContact CG-CE2 3.72Å; P149-F308 HydrophobicContact CG-CZ 4.09Å; V241-F308 HydrophobicContact CG1-CD2 4.35Å; V241-F308 HydrophobicContact CG1-CE2 4.15Å; V241-F308 HydrophobicContact CG2-CD2 4.45Å; V241-F308 HydrophobicContact CG2-CE2 4.23Å; F244-F308 AromaticContact CD1-CD1 3.93Å; F244-F308 HydrophobicContact CD1-CD1 3.93Å; F244-F308 HydrophobicContact CD1-CE1 4.03Å; F244-F308 HydrophobicContact CD1-CG 4.2Å; F244-F308 HydrophobicContact CD1-CZ 4.41Å; F244-F308 AromaticContact CE1-CD1 3.73Å; F244-F308 HydrophobicContact CE1-CD1 3.73Å; F244-F308 HydrophobicContact CE1-CD2 4.01Å; F244-F308 AromaticContact CE1-CE1 3.4Å; F244-F308 HydrophobicContact CE1-CE1 3.4Å; F244-F308 VanDerWaalsContact CE1-CE1 3.4Å; F244-F308 AromaticContact CE1-CE2 3.73Å; F244-F308 HydrophobicContact CE1-CE2 3.73Å; F244-F308 HydrophobicContact CE1-CG 4.02Å; F244-F308 AromaticContact CE1-CZ 3.41Å; F244-F308 HydrophobicContact CE1-CZ 3.41Å; F244-F308 VanDerWaalsContact CE1-CZ 3.41Å; F244-F308 HydrophobicContact CZ-CE1 4.07Å; F244-F308 AromaticContact CZ-CZ 3.94Å; F244-F308 HydrophobicContact CZ-CZ 3.94Å; F308-H310 HydrophobicContact CD1-CB 3.86Å; F308-H310 HydrophobicContact CE1-CB 4.01Å; F308-H310 AromaticContact CE1-CD2 3.6Å; F308-I316 HydrophobicContact CB-CG1 4.31Å; F308-I316 PolarHBondContact N-O 2.82Å; F308-I316 PolarHBondContact O-N 2.8Å; F308-I316 VanDerWaalsContact O-O 3.14Å; F308-C318 HydrophobicContact CB-CB 3.8Å; F308-C318 HydrophobicContact CD2-CB 3.94Å; F308-C318 HydrophobicContact CG-CB 4.01Å
309	V	98.6	Very high	98.3	Very high	53 Å²	53	29.1 Å²	29.1	32%	0.321	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	98.5	171.8	-175.7	0	0	0	0	108.9	Y123 D125 Y146	Y123-V309 HydrophobicContact CD1-CB 4.19Å; Y123-V309 HydrophobicContact CD1-CG1 4.3Å; Y123-V309 HydrophobicContact CD1-CG2 4.31Å; Y123-V309 HydrophobicContact CE1-CB 4.47Å; Y123-V309 HydrophobicContact CE1-CG1 4.07Å; Y123-V309 HydrophobicContact CG-CB 4.29Å; D125-V309 PolarHBondContact OD2-N 2.85Å; Y146-V309 PolarHBondContact OH-O 2.94Å
310	H	98.9	Very high	98.5	Very high	3 Å²	3	28.6 Å²	28.6	1%	0.014	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	135	-177.6	-159.2	-83	0	0	0	111.6	Y148 D209 F244 F308 R312 F313 G314 I316	Y148-H310 AromaticContact CE1-NE2 3.75Å; D209-H310 IonicContact OD2-CE1 3.47Å; D209-H310 PolarHBondContact OD2-CE1 3.29Å; D209-H310 VanDerWaalsContact OD2-CE1 3.23Å; D209-H310 IonicContact OD2-NE2 3.77Å; D209-H310 PolarHBondContact OD2-NE2 3.43Å; F244-H310 AromaticContact CD1-CD2 3.83Å; F244-H310 AromaticContact CD2-CD2 3.89Å; F244-H310 AromaticContact CD2-NE2 3.68Å; F244-H310 AromaticContact CE1-CD2 3.89Å; F244-H310 AromaticContact CE2-CD2 3.93Å; F244-H310 AromaticContact CE2-NE2 3.6Å; F244-H310 AromaticContact CG-CD2 3.84Å; F244-H310 AromaticContact CZ-CD2 3.93Å; F244-H310 AromaticContact CZ-NE2 3.98Å; F308-H310 HydrophobicContact CD1-CB 3.86Å; F308-H310 HydrophobicContact CE1-CB 4.01Å; F308-H310 AromaticContact CE1-CD2 3.6Å; H310-R312 WeakPolarHBondContact ND1-CB 3.34Å; H310-R312 PolarHBondContact ND1-N 2.94Å; H310-R312 PolarHBondContact O-N 2.88Å; H310-F313 HydrophobicContact CB-CB 4.01Å; H310-F313 HydrophobicContact CB-CD2 4.13Å; H310-F313 AromaticContact CD2-CD2 3.86Å; H310-F313 AromaticContact CE1-CD2 3.65Å; H310-F313 AromaticContact CE1-CE2 3.67Å; H310-F313 AromaticContact CG-CD2 3.51Å; H310-F313 AromaticContact ND1-CD2 3.36Å; H310-F313 WeakPolarHBondContact ND1-CD2 3.44Å; H310-F313 AromaticContact ND1-CE2 3.87Å; H310-F313 AromaticContact ND1-CG 3.95Å; H310-F313 PolarHBondContact ND1-N 2.87Å; H310-F313 AromaticContact NE2-CD2 3.94Å; H310-F313 AromaticContact NE2-CE2 3.93Å; H310-G314 PolarHBondContact N-O 2.89Å; H310-G314 VanDerWaalsContact O-CA 3.29Å; H310-G314 WeakPolarHBondContact O-CA 3.45Å; H310-G314 PolarHBondContact O-N 2.78Å; H310-I316 HydrophobicContact CB-CD1 3.98Å; H310-I316 HydrophobicContact CB-CG1 4.18Å
311	P	98.7	Very high	98.7	Very high	14 Å²	14	23.6 Å²	23.6	9%	0.091	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-26.4	-179.3	29.8	-39.8	0	0	0	112.7	Y146 L155 M164	Y146-P311 HydrophobicContact CD1-CB 4.13Å; Y146-P311 HydrophobicContact CD1-CG 3.47Å; Y146-P311 VanDerWaalsContact CD1-CG 3.47Å; Y146-P311 HydrophobicContact CD2-CB 3.84Å; Y146-P311 HydrophobicContact CD2-CG 3.97Å; Y146-P311 HydrophobicContact CE1-CG 3.75Å; Y146-P311 HydrophobicContact CE2-CB 4.4Å; Y146-P311 HydrophobicContact CE2-CG 4.23Å; Y146-P311 HydrophobicContact CG-CB 3.68Å; Y146-P311 HydrophobicContact CG-CG 3.57Å; Y146-P311 VanDerWaalsContact CZ-CD 3.49Å; L155-P311 HydrophobicContact CD1-CB 4.5Å; L155-P311 HydrophobicContact CD1-CG 3.81Å; M164-P311 HydrophobicContact CE-CB 4.04Å; M164-P311 HydrophobicContact CE-CG 4.45Å; M164-P311 HydrophobicContact SD-CB 4.28Å
312	R	98.8	Very high	98.7	Very high	3 Å²	3	26.3 Å²	26.3	1%	0.011	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-55.3	173.2	180	178.6	175.5	-171.1	-2.4	113	M164 H192 D194 S202 D204 L207 H310	M164-R312 HydrophobicContact CE-CB 4.24Å; H192-R312 WeakPolarHBondContact O-CG 3.38Å; D194-R312 CarbonylContact C-O 3.44Å; D194-R312 VanDerWaalsContact C-O 3.25Å; D194-R312 HydrophobicContact CB-CG 4.21Å; D194-R312 PolarHBondContact N-O 3.02Å; S202-R312 PolarHBondContact OG-NH2 3.3Å; D204-R312 PolarHBondContact O-NH2 2.84Å; L207-R312 PolarHBondContact O-NH1 3.27Å; H310-R312 WeakPolarHBondContact ND1-CB 3.34Å; H310-R312 PolarHBondContact ND1-N 2.94Å; H310-R312 PolarHBondContact O-N 2.88Å
313	F	98.9	Very high	98.6	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-7.8	-168.2	-52.3	-56.3	0	0	0	114.2	N246 R249 A289 H310 I316	N246-F313 HydrophobicContact CB-CB 4.08Å; N246-F313 HydrophobicContact CB-CD1 3.96Å; N246-F313 HydrophobicContact CB-CD2 3.98Å; N246-F313 HydrophobicContact CB-CE1 4.4Å; N246-F313 HydrophobicContact CB-CE2 4.43Å; N246-F313 HydrophobicContact CB-CG 3.73Å; N246-F313 WeakPolarHBondContact ND2-CD1 3.35Å; R249-F313 PolarHBondContact NH2-O 2.84Å; A289-F313 HydrophobicContact CB-CE1 4.22Å; A289-F313 HydrophobicContact CB-CZ 4.05Å; A289-F313 WeakPolarHBondContact O-CZ 3.17Å; H310-F313 HydrophobicContact CB-CB 4.01Å; H310-F313 HydrophobicContact CB-CD2 4.13Å; H310-F313 AromaticContact CD2-CD2 3.86Å; H310-F313 AromaticContact CE1-CD2 3.65Å; H310-F313 AromaticContact CE1-CE2 3.67Å; H310-F313 AromaticContact CG-CD2 3.51Å; H310-F313 AromaticContact ND1-CD2 3.36Å; H310-F313 WeakPolarHBondContact ND1-CD2 3.44Å; H310-F313 AromaticContact ND1-CE2 3.87Å; H310-F313 AromaticContact ND1-CG 3.95Å; H310-F313 PolarHBondContact ND1-N 2.87Å; H310-F313 AromaticContact NE2-CD2 3.94Å; H310-F313 AromaticContact NE2-CE2 3.93Å; F313-I316 HydrophobicContact CB-CD1 4.05Å; F313-I316 HydrophobicContact CB-CG2 3.87Å; F313-I316 HydrophobicContact CD2-CD1 3.94Å; F313-I316 HydrophobicContact CG-CD1 4.42Å
314	G	98.6	Very high	98.6	Very high	4 Å²	4	33.9 Å²	33.9	4%	0.041	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	70.4	-151.6	-170.8	0	0	0	0	0	112.4	H310 I316	H310-G314 PolarHBondContact N-O 2.89Å; H310-G314 VanDerWaalsContact O-CA 3.29Å; H310-G314 WeakPolarHBondContact O-CA 3.45Å; H310-G314 PolarHBondContact O-N 2.78Å; G314-I316 PolarHBondContact O-N 3.36Å
315	P	98.5	Very high	98.6	Very high	58 Å²	58	30.9 Å²	30.9	38%	0.377	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	117.7	178.1	-19.7	32.3	0	0	0	111.2	R249	R249-P315 VanDerWaalsContact CZ-O 3.31Å; R249-P315 PolarHBondContact NH1-O 3.05Å; R249-P315 PolarHBondContact NH2-O 3.02Å
316	I	98.8	Very high	98.6	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	-171.8	179	58.7	166	0	0	0	109.5	F244 N246 I275 F308 H310 F313 G314	F244-I316 HydrophobicContact CB-CD1 3.86Å; F244-I316 HydrophobicContact CD1-CD1 4.4Å; F244-I316 HydrophobicContact CG-CD1 4.44Å; N246-I316 HydrophobicContact CB-CD1 4.41Å; N246-I316 HydrophobicContact CB-CG2 4.37Å; I275-I316 HydrophobicContact CD1-CB 4.15Å; I275-I316 HydrophobicContact CD1-CG2 4.17Å; F308-I316 HydrophobicContact CB-CG1 4.31Å; F308-I316 PolarHBondContact N-O 2.82Å; F308-I316 PolarHBondContact O-N 2.8Å; F308-I316 VanDerWaalsContact O-O 3.14Å; H310-I316 HydrophobicContact CB-CD1 3.98Å; H310-I316 HydrophobicContact CB-CG1 4.18Å; F313-I316 HydrophobicContact CB-CD1 4.05Å; F313-I316 HydrophobicContact CB-CG2 3.87Å; F313-I316 HydrophobicContact CD2-CD1 3.94Å; F313-I316 HydrophobicContact CG-CD1 4.42Å; G314-I316 PolarHBondContact O-N 3.36Å
317	K	98.8	Very high	98.6	Very high	40 Å²	40	34.3 Å²	34.3	17%	0.174	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	157.2	164.1	-71.6	-172.6	166.8	179.3	0	111.2	Y245 L267 S268 L269 D306 M307	Y245-K317 WeakPolarHBondContact CA-O 3.49Å; Y245-K317 WeakPolarHBondContact CB-O 3.21Å; Y245-K317 PolarHBondContact N-O 2.82Å; L267-K317 HydrophobicContact CD1-CD 4.24Å; L267-K317 HydrophobicContact CD2-CB 3.8Å; L267-K317 HydrophobicContact CD2-CD 3.74Å; L267-K317 HydrophobicContact CD2-CG 4.26Å; L267-K317 HydrophobicContact CG-CD 3.95Å; S268-K317 WeakPolarHBondContact O-CD 3.41Å; S268-K317 WeakPolarHBondContact O-CE 3.23Å; S268-K317 PolarHBondContact O-NZ 3.38Å; L269-K317 HydrophobicContact CD1-CG 4.12Å; D306-K317 CarbonylContact O-C 3.55Å; D306-K317 WeakPolarHBondContact O-CA 3.16Å; D306-K317 WeakPolarHBondContact O-CB 3.38Å; M307-K317 HydrophobicContact SD-CG 4.1Å
318	C	98.9	Very high	98.6	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	171	169.5	73.3	0	0	0	0	110.6	V241 S243 F244 Y305 D306 F308	V241-C318 HydrophobicContact CG1-CB 3.87Å; S243-C318 CarbonylContact O-C 3.54Å; S243-C318 VanDerWaalsContact O-CA 3.24Å; S243-C318 WeakPolarHBondContact O-CA 3.48Å; S243-C318 VanDerWaalsContact O-CB 3.28Å; S243-C318 WeakPolarHBondContact O-CB 3.43Å; F244-C318 HydrophobicContact CD1-CB 4.01Å; F244-C318 HydrophobicContact CE1-CB 4.41Å; Y305-C318 VanDerWaalsContact CA-O 3.3Å; Y305-C318 WeakPolarHBondContact CA-O 3.31Å; D306-C318 PolarHBondContact N-O 3.25Å; D306-C318 PolarHBondContact O-N 3.07Å; F308-C318 HydrophobicContact CB-CB 3.8Å; F308-C318 HydrophobicContact CD2-CB 3.94Å; F308-C318 HydrophobicContact CG-CB 4.01Å
319	I	98.9	Very high	98.6	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	120.9	168.1	-62.4	-176	0	0	0	107.6	L230 M242 S243 G292 A295 C303 I304 Y305 V333	L230-I319 HydrophobicContact CD2-CD1 3.94Å; M242-I319 PolarHBondContact N-O 3.31Å; S243-I319 PolarHBondContact O-N 3.38Å; G292-I319 WeakPolarHBondContact O-CD1 3.12Å; A295-I319 HydrophobicContact CB-CD1 3.27Å; C303-I319 HydrophobicContact CB-CG2 3.49Å; C303-I319 VanDerWaalsContact CB-CG2 3.49Å; I304-I319 WeakPolarHBondContact O-CA 3.27Å; Y305-I319 HydrophobicContact CD1-CG1 4.13Å; Y305-I319 HydrophobicContact CE1-CD1 4.35Å; Y305-I319 HydrophobicContact CE1-CG1 4.06Å; I319-V333 HydrophobicContact CD1-CG1 4.47Å; I319-V333 HydrophobicContact CG1-CG1 4.5Å; I319-V333 HydrophobicContact CG2-CG1 4.11Å
320	R	98.9	Very high	98.6	Very high	29 Å²	29	36.3 Å²	36.3	11%	0.109	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	135.9	178.3	-174.4	-175.8	-61.4	-81.6	0.3	110.5	D125 N239 T240 V241 C303 I304 D306	D125-R320 PolarHBondContact O-NH2 3.33Å; N239-R320 PolarHBondContact O-NH1 2.9Å; T240-R320 CarbonylContact O-C 3.6Å; T240-R320 VanDerWaalsContact O-CA 3.31Å; T240-R320 WeakPolarHBondContact O-CA 3.49Å; V241-R320 VanDerWaalsContact CG2-NH1 3.35Å; C303-R320 CarbonylContact C-O 3.58Å; C303-R320 WeakPolarHBondContact CA-O 3.06Å; C303-R320 WeakPolarHBondContact CB-O 3.41Å; I304-R320 HydrophobicContact CG1-CB 4.26Å; I304-R320 PolarHBondContact N-O 3.38Å; I304-R320 PolarHBondContact O-N 3Å; D306-R320 HydrophobicContact CB-CB 4.28Å; D306-R320 IonicContact OD2-CZ 3Å; D306-R320 IonicContact OD2-NE 3.63Å; D306-R320 PolarHBondContact OD2-NE 3.04Å; D306-R320 IonicContact OD2-NH2 3.23Å; D306-R320 PolarHBondContact OD2-NH2 2.76Å
321	T	98.8	Very high	98.6	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	135.5	177.3	62.5	0	0	0	0	111.4	V236 G237 P238 N239 T240 M242 Q323 V325	V236-T321 HydrophobicContact CG2-CG2 3.96Å; G237-T321 PolarHBondContact O-OG1 2.9Å; P238-T321 WeakPolarHBondContact CA-OG1 3.24Å; N239-T321 WeakPolarHBondContact CA-O 3.4Å; N239-T321 PolarHBondContact N-O 3.34Å; N239-T321 PolarHBondContact N-OG1 2.6Å; T240-T321 PolarHBondContact N-OG1 3.43Å; T240-T321 PolarHBondContact O-N 3.36Å; M242-T321 HydrophobicContact CG-CG2 3.55Å; M242-T321 HydrophobicContact SD-CG2 4.02Å; T321-Q323 WeakPolarHBondContact CB-O 3.43Å; T321-V325 HydrophobicContact CG2-CB 4.42Å; T321-V325 HydrophobicContact CG2-CG2 3.79Å
322	L	98.4	Very high	98.6	Very high	83 Å²	83	36.2 Å²	36.2	44%	0.435	20%	0.195	S	C	.	.	S	Bend	trans	-83.2	-28.8	170.7	-76.5	174	0	0	0	112.1	P301 N302 I304	P301-L322 HydrophobicContact CG-CD1 4.44Å; N302-L322 PolarHBondContact O-N 2.96Å; I304-L322 HydrophobicContact CB-CD2 4.39Å; I304-L322 HydrophobicContact CB-CG 4.47Å; I304-L322 HydrophobicContact CD1-CD2 4.08Å; I304-L322 HydrophobicContact CG1-CD2 4.02Å; I304-L322 HydrophobicContact CG1-CG 4.31Å; I304-L322 HydrophobicContact CG2-CD1 3.69Å; I304-L322 HydrophobicContact CG2-CD2 3.57Å; I304-L322 HydrophobicContact CG2-CG 3.67Å
323	Q	97.4	Very high	98.6	Very high	106 Å²	106	36 Å²	36	50%	0.495	19%	0.194	S	C	.	.	S	Bend	trans	-139	175.1	-174.8	60.2	-175.8	15.7	0	0	110	N302 T321	N302-Q323 HydrophobicContact CB-CG 4.14Å; T321-Q323 WeakPolarHBondContact CB-O 3.43Å
324	A	98.4	Very high	98.4	Very high	61 Å²	61	38.5 Å²	38.5	50%	0.504	21%	0.214	S	C	.	.			trans	-62.9	140.2	169.6	0	0	0	0	0	109.8	V236	V236-A324 VanDerWaalsContact O-CA 3.27Å; V236-A324 WeakPolarHBondContact O-CA 3.13Å
325	V	98.4	Very high	98	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.006	22%	0.222	C	C	.	.	B	Isolated β-bridge	trans	-126.6	133.5	-179.1	173.5	0	0	0	0	107.7	A235 V236 N302 T321 E329 L331	A235-V325 CarbonylContact C-O 3.54Å; A235-V325 VanDerWaalsContact CA-O 3.29Å; A235-V325 WeakPolarHBondContact CA-O 3.43Å; V236-V325 HydrophobicContact CG2-CB 4.03Å; V236-V325 PolarHBondContact N-O 2.81Å; V236-V325 PolarHBondContact O-N 3.36Å; N302-V325 HydrophobicContact CB-CG2 4.22Å; T321-V325 HydrophobicContact CG2-CB 4.42Å; T321-V325 HydrophobicContact CG2-CG2 3.79Å; V325-E329 WeakPolarHBondContact CA-OE2 3.26Å; V325-E329 HydrophobicContact CG1-CB 3.75Å; V325-E329 HydrophobicContact CG1-CG 4.07Å; V325-L331 HydrophobicContact CG1-CD2 3.65Å; V325-L331 HydrophobicContact CG2-CD2 4.36Å
326	E	98.6	Very high	97.3	Very high	125 Å²	125	41 Å²	41	58%	0.584	24%	0.235	S	C	*	.			trans	-80.6	162.2	178.7	-64.7	-62.8	159.1	0	0	111.9	E329	E326-E329 HydrophobicContact CB-CB 4.45Å; E326-E329 PolarHBondContact N-OE2 2.86Å; E326-E329 VanDerWaalsContact O-CB 3.3Å; E326-E329 WeakPolarHBondContact O-CB 3.48Å; E326-E329 PolarHBondContact O-N 2.65Å
327	A	98.4	Very high	96.6	Very high	46 Å²	46	42.7 Å²	42.7	38%	0.38	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	142.6	168.4	0	0	0	0	0	110.1	E329	A327-E329 PolarHBondContact O-N 2.76Å
328	E	98.3	Very high	95.6	Very high	115 Å²	115	44.6 Å²	44.6	54%	0.537	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.6	7.8	-176.4	-45.4	-64.8	126.8	0	0	114.9	Y217 F231 S232	Y217-E328 PolarHBondContact OH-OE2 3.21Å; F231-E328 WeakPolarHBondContact CD1-O 3.47Å; S232-E328 VanDerWaalsContact O-CA 3.3Å; S232-E328 WeakPolarHBondContact O-CA 3.37Å; S232-E328 PolarHBondContact O-N 3.13Å
329	E	98.7	Very high	94.8	Very high	59 Å²	59	47.9 Å²	47.9	28%	0.276	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-76.6	137.6	173.5	-173.1	179.1	154.7	0	0	111.1	F231 S232 N302 V325 E326 A327	F231-E329 WeakPolarHBondContact CA-O 3.48Å; S232-E329 PolarHBondContact N-O 2.82Å; N302-E329 PolarHBondContact ND2-OE1 3.32Å; V325-E329 WeakPolarHBondContact CA-OE2 3.26Å; V325-E329 HydrophobicContact CG1-CB 3.75Å; V325-E329 HydrophobicContact CG1-CG 4.07Å; E326-E329 HydrophobicContact CB-CB 4.45Å; E326-E329 PolarHBondContact N-OE2 2.86Å; E326-E329 VanDerWaalsContact O-CB 3.3Å; E326-E329 WeakPolarHBondContact O-CB 3.48Å; E326-E329 PolarHBondContact O-N 2.65Å; A327-E329 PolarHBondContact O-N 2.76Å
330	E	98.8	Very high	93.7	Very high	15 Å²	15	52.7 Å²	52.7	7%	0.07	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	126.5	175.3	-166.6	171.5	178.8	0	0	110.6	S221 L222 L230 F231 N296 N302 T332	S221-E330 VanDerWaalsContact CB-OE1 3.26Å; S221-E330 WeakPolarHBondContact CB-OE1 3.22Å; S221-E330 VanDerWaalsContact OG-CD 3.29Å; S221-E330 PolarHBondContact OG-OE1 2.99Å; S221-E330 PolarHBondContact OG-OE2 3.27Å; L222-E330 WeakPolarHBondContact CB-OE2 3.45Å; L222-E330 PolarHBondContact N-OE2 3.49Å; L230-E330 CarbonylContact O-C 3.49Å; F231-E330 HydrophobicContact CD1-CB 3.86Å; F231-E330 HydrophobicContact CD1-CG 4.34Å; F231-E330 HydrophobicContact CE1-CB 3.53Å; F231-E330 HydrophobicContact CE1-CG 3.93Å; F231-E330 HydrophobicContact CE2-CG 4.21Å; F231-E330 HydrophobicContact CZ-CB 3.98Å; F231-E330 HydrophobicContact CZ-CG 3.85Å; N296-E330 PolarHBondContact ND2-OE1 2.83Å; N302-E330 PolarHBondContact ND2-O 2.98Å; E330-T332 HydrophobicContact CG-CG2 4.36Å
331	L	98.8	Very high	92.5	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	121.5	175.8	-54.7	-174.6	0	0	0	109.3	V216 L230 M242 V325	V216-L331 HydrophobicContact CG1-CD1 3.58Å; L230-L331 HydrophobicContact CB-CB 4.48Å; L230-L331 HydrophobicContact CD2-CD1 4.04Å; L230-L331 HydrophobicContact CG-CD1 4.25Å; L230-L331 PolarHBondContact O-N 3.43Å; M242-L331 HydrophobicContact CB-CD1 3.77Å; M242-L331 HydrophobicContact CE-CD1 4.22Å; M242-L331 HydrophobicContact CG-CD1 4.07Å; V325-L331 HydrophobicContact CG1-CD2 3.65Å; V325-L331 HydrophobicContact CG2-CD2 4.36Å
332	T	98.7	Very high	90.8	Very high	15 Å²	15	57.9 Å²	57.9	9%	0.092	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	150.5	179.6	57.2	0	0	0	0	111.3	I223 N296 S298 P301 N302 C303 E330	I223-T332 HydrophobicContact CD1-CG2 4.17Å; N296-T332 VanDerWaalsContact O-CA 3.27Å; N296-T332 WeakPolarHBondContact O-CA 3.24Å; N296-T332 WeakPolarHBondContact O-CB 3.4Å; S298-T332 WeakPolarHBondContact CB-OG1 3.38Å; P301-T332 VanDerWaalsContact CB-O 3.28Å; P301-T332 WeakPolarHBondContact CB-O 3.26Å; N302-T332 PolarHBondContact N-O 3.01Å; N302-T332 PolarHBondContact OD1-N 3.2Å; N302-T332 PolarHBondContact OD1-O 3.1Å; N302-T332 PolarHBondContact OD1-OG1 3.18Å; C303-T332 WeakPolarHBondContact CB-O 3.25Å; C303-T332 PolarHBondContact N-O 2.87Å; E330-T332 HydrophobicContact CG-CG2 4.36Å
333	V	98.1	Very high	89.2	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	153.9	-176.4	-67.5	0	0	0	0	110.9	A295 N296 H297 S298 C303 Y305 I319 Y335	A295-V333 HydrophobicContact CB-CG2 4.27Å; N296-V333 PolarHBondContact O-N 2.83Å; H297-V333 CarbonylContact C-O 3.53Å; H297-V333 VanDerWaalsContact CA-O 3.25Å; H297-V333 WeakPolarHBondContact CA-O 3.06Å; H297-V333 PolarHBondContact ND1-O 2.8Å; H297-V333 VanDerWaalsContact ND1-O 3.12Å; S298-V333 PolarHBondContact N-O 2.87Å; C303-V333 HydrophobicContact CB-CG1 3.75Å; Y305-V333 HydrophobicContact CE1-CB 4.48Å; Y305-V333 HydrophobicContact CE1-CG1 4.35Å; Y305-V333 HydrophobicContact CE1-CG2 3.96Å; Y305-V333 HydrophobicContact CE2-CB 4.25Å; Y305-V333 HydrophobicContact CE2-CG2 3.77Å; Y305-V333 VanDerWaalsContact CZ-CG2 3.43Å; Y305-V333 WeakPolarHBondContact OH-CG2 3.26Å; I319-V333 HydrophobicContact CD1-CG1 4.47Å; I319-V333 HydrophobicContact CG1-CG1 4.5Å; I319-V333 HydrophobicContact CG2-CG1 4.11Å; V333-Y335 HydrophobicContact CG2-CD1 3.87Å; V333-Y335 HydrophobicContact CG2-CE1 3.68Å
334	A	94.9	Very high	87.6	Confident	51 Å²	51	58.5 Å²	58.5	42%	0.421	36%	0.364	S	S	.	.			trans	-82.2	120.1	169	0	0	0	0	0	109.5	P301 G336	P301-A334 HydrophobicContact CG-CB 4.08Å; A334-G336 PolarHBondContact O-N 3.39Å
335	Y	91.6	Very high	85.6	Confident	50 Å²	50	62.2 Å²	62.2	20%	0.196	39%	0.386	C	S	.	.			trans	-71.6	-19.5	-178.3	-76.2	10.3	0	0	0	113	A295 H297 Y305 V333 Y337 W352	A295-Y335 PolarHBondContact O-OH 3.26Å; H297-Y335 HydrophobicContact CB-CD1 3.85Å; H297-Y335 HydrophobicContact CB-CD2 3.99Å; H297-Y335 HydrophobicContact CB-CE1 3.85Å; H297-Y335 HydrophobicContact CB-CE2 3.99Å; H297-Y335 HydrophobicContact CB-CG 3.92Å; H297-Y335 PolarHBondContact ND1-N 2.79Å; Y305-Y335 HydrophobicContact CE2-CD1 4.43Å; V333-Y335 HydrophobicContact CG2-CD1 3.87Å; V333-Y335 HydrophobicContact CG2-CE1 3.68Å; Y335-Y337 VanDerWaalsContact C-N 3.33Å; Y335-Y337 AromaticContact CD2-CE2 3.82Å; Y335-Y337 HydrophobicContact CD2-CE2 3.82Å; Y335-Y337 HydrophobicContact CG-CE2 4.4Å; Y335-Y337 PolarHBondContact O-N 2.78Å; Y335-W352 HydrophobicContact CD2-CH2 4.02Å; Y335-W352 HydrophobicContact CD2-CZ2 4.28Å; Y335-W352 AromaticContact CE2-CH2 3.97Å; Y335-W352 HydrophobicContact CE2-CH2 3.97Å; Y335-W352 HydrophobicContact CE2-CZ2 4.1Å
336	G	83.3	Confident	83.8	Confident	64 Å²	64	63.5 Å²	63.5	66%	0.66	40%	0.4	S	S	*	.			trans	68.3	26.3	170.8	0	0	0	0	0	115.1	A334	A334-G336 PolarHBondContact O-N 3.39Å
337	Y	83.3	Confident	82.7	Confident	36 Å²	36	58.9 Å²	58.9	14%	0.141	38%	0.381	C	S	.	.			trans	-56.5	148.3	171.5	-66.2	-59	0	0	0	111.5	W260 Y335 H339 A349 P350 Y353	W260-Y337 HydrophobicContact CH2-CD1 4.33Å; W260-Y337 HydrophobicContact CH2-CE1 4.15Å; W260-Y337 HydrophobicContact CZ2-CD1 4.03Å; W260-Y337 AromaticContact CZ2-CE1 3.66Å; W260-Y337 HydrophobicContact CZ2-CE1 3.66Å; Y335-Y337 VanDerWaalsContact C-N 3.33Å; Y335-Y337 AromaticContact CD2-CE2 3.82Å; Y335-Y337 HydrophobicContact CD2-CE2 3.82Å; Y335-Y337 HydrophobicContact CG-CE2 4.4Å; Y335-Y337 PolarHBondContact O-N 2.78Å; Y337-H339 PolarHBondContact O-CD2 2.88Å; Y337-H339 PolarHBondContact O-N 2.84Å; Y337-H339 PolarHBondContact O-NE2 2.85Å; Y337-A349 HydrophobicContact CD2-CB 3.74Å; Y337-A349 HydrophobicContact CE2-CB 4.5Å; Y337-A349 HydrophobicContact CG-CB 3.8Å; Y337-P350 VanDerWaalsContact CE2-CD 3.49Å; Y337-P350 HydrophobicContact CE2-CG 4.1Å; Y337-Y353 HydrophobicContact CD2-CD1 4.07Å; Y337-Y353 AromaticContact CD2-CD2 3.61Å; Y337-Y353 HydrophobicContact CD2-CD2 3.61Å; Y337-Y353 HydrophobicContact CD2-CE1 4.17Å; Y337-Y353 AromaticContact CD2-CE2 3.7Å; Y337-Y353 HydrophobicContact CD2-CE2 3.7Å; Y337-Y353 AromaticContact CD2-CG 3.8Å; Y337-Y353 HydrophobicContact CD2-CG 3.8Å; Y337-Y353 AromaticContact CD2-CZ 3.99Å; Y337-Y353 HydrophobicContact CE2-CD2 4Å; Y337-Y353 HydrophobicContact CE2-CE2 4.38Å; Y337-Y353 HydrophobicContact CE2-CG 4.3Å
338	D	77.8	Confident	81.8	Confident	81 Å²	81	60.3 Å²	60.3	43%	0.433	38%	0.379	S	S	.	.			trans	-69.7	119.8	178.5	-172.2	-5.4	0	0	0	110.8	S340 P341 P347 E348	D338-S340 PolarHBondContact OD1-N 2.74Å; D338-P341 VanDerWaalsContact OD2-CA 3.28Å; D338-P341 WeakPolarHBondContact OD2-CA 3.46Å; D338-P347 CarbonylContact O-C 3.54Å; D338-P347 VanDerWaalsContact O-CA 3.28Å; D338-P347 WeakPolarHBondContact O-CA 3.36Å; D338-E348 PolarHBondContact O-N 3.3Å
339	H	82	Confident	81.1	Confident	69 Å²	69	55.3 Å²	55.3	32%	0.319	36%	0.358	S	S	.	.	S	Bend	trans	-84.8	-13.8	179.6	-62.8	177.3	0	0	0	113	Y337 Y353 L357	Y337-H339 PolarHBondContact O-CD2 2.88Å; Y337-H339 PolarHBondContact O-N 2.84Å; Y337-H339 PolarHBondContact O-NE2 2.85Å; H339-Y353 AromaticContact CD2-CE1 3.92Å; H339-Y353 AromaticContact NE2-CE1 3.51Å; H339-Y353 AromaticContact NE2-CZ 3.6Å; H339-Y353 PolarHBondContact NE2-OH 3.01Å; H339-L357 HydrophobicContact CB-CD2 4.43Å
340	S	76	Confident	80.3	Confident	101 Å²	101	53.4 Å²	53.4	71%	0.706	35%	0.351	S	S	*	.	S	Bend	trans	-146.1	59.6	-175.5	-66.7	0	0	0	0	113	D338	D338-S340 PolarHBondContact OD1-N 2.74Å
341	P	74.6	Confident	79.7	Confident	8 Å²	8	60.5 Å²	60.5	5%	0.052	38%	0.384	C	S	.	.			trans	-63.5	140.2	-179.9	16.3	-22.1	0	0	0	112	D338 G343 K344 G346 E348	D338-P341 VanDerWaalsContact OD2-CA 3.28Å; D338-P341 WeakPolarHBondContact OD2-CA 3.46Å; P341-G343 PolarHBondContact O-N 3.31Å; P341-K344 HydrophobicContact CB-CD 4.42Å; P341-K344 HydrophobicContact CG-CB 4.03Å; P341-K344 HydrophobicContact CG-CD 4.06Å; P341-K344 PolarHBondContact O-N 3.36Å; P341-K344 VanDerWaalsContact O-N 3.15Å; P341-G346 WeakPolarHBondContact CD-O 3.32Å; P341-G346 WeakPolarHBondContact CG-O 3.42Å; P341-E348 HydrophobicContact CG-CB 3.87Å
342	P	61.9	Low	79.1	Confident	129 Å²	129	66 Å²	66	84%	0.838	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	123.9	-178.4	-21.5	31	0	0	0	111.7
343	G	65.8	Low	78.6	Confident	92 Å²	92	65.5 Å²	65.5	95%	0.948	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.7	2.2	176.5	0	0	0	0	0	115.8	P341	P341-G343 PolarHBondContact O-N 3.31Å
344	K	62.4	Low	78.1	Confident	110 Å²	110	68.5 Å²	68.5	48%	0.478	42%	0.415	S	S	.	.			trans	-112.8	147	171.2	-69.2	-180	-177.8	169.9	0	110.4	P341 G346 E348	P341-K344 HydrophobicContact CB-CD 4.42Å; P341-K344 HydrophobicContact CG-CB 4.03Å; P341-K344 HydrophobicContact CG-CD 4.06Å; P341-K344 PolarHBondContact O-N 3.36Å; P341-K344 VanDerWaalsContact O-N 3.15Å; K344-G346 VanDerWaalsContact C-N 3.31Å; K344-G346 PolarHBondContact O-N 2.83Å; K344-E348 IonicContact NZ-OE1 3.36Å; K344-E348 PolarHBondContact NZ-OE1 3.31Å; K344-E348 IonicContact NZ-OE2 3.63Å; K344-E348 PolarHBondContact NZ-OE2 3Å
345	S	56.7	Low	77.8	Confident	139 Å²	139	70.9 Å²	70.9	97%	0.972	42%	0.424	S	S	*	.	S	Bend	trans	-92.3	22.8	-179.3	63.8	0	0	0	0	113.7
346	G	61.3	Low	77.6	Confident	28 Å²	28	71.7 Å²	71.7	29%	0.289	43%	0.43	S	S	.	.	S	Bend	trans	-175.6	172.1	-178.2	0	0	0	0	0	113	P341 K344	P341-G346 WeakPolarHBondContact CD-O 3.32Å; P341-G346 WeakPolarHBondContact CG-O 3.42Å; K344-G346 VanDerWaalsContact C-N 3.31Å; K344-G346 PolarHBondContact O-N 2.83Å
347	P	74.6	Confident	77.9	Confident	28 Å²	28	69.1 Å²	69.1	18%	0.182	40%	0.401	C	S	.	.			trans	-61.9	144.5	-176	-20.4	31.3	0	0	0	113	D338 A349 Q354 L357	D338-P347 CarbonylContact O-C 3.54Å; D338-P347 VanDerWaalsContact O-CA 3.28Å; D338-P347 WeakPolarHBondContact O-CA 3.36Å; P347-A349 HydrophobicContact CB-CB 4.22Å; P347-A349 PolarHBondContact O-N 3.31Å; P347-Q354 HydrophobicContact CB-CG 4.27Å; P347-Q354 HydrophobicContact CG-CG 4.39Å; P347-Q354 PolarHBondContact O-NE2 3.29Å; P347-L357 HydrophobicContact CB-CD2 4.5Å; P347-L357 HydrophobicContact CG-CD2 3.68Å
348	E	80.6	Confident	78.2	Confident	76 Å²	76	74.2 Å²	74.2	36%	0.355	42%	0.424	S	S	.	.	S	Bend	trans	-89.7	79.8	167.3	-179.1	146.3	-142.9	0	0	109.1	W260 D338 P341 K344	W260-E348 HydrophobicContact CH2-CG 4.23Å; W260-E348 HydrophobicContact CZ3-CG 4.32Å; D338-E348 PolarHBondContact O-N 3.3Å; P341-E348 HydrophobicContact CG-CB 3.87Å; K344-E348 IonicContact NZ-OE1 3.36Å; K344-E348 PolarHBondContact NZ-OE1 3.31Å; K344-E348 IonicContact NZ-OE2 3.63Å; K344-E348 PolarHBondContact NZ-OE2 3Å
349	A	82.9	Confident	78.7	Confident	11 Å²	11	73.1 Å²	73.1	9%	0.091	43%	0.426	C	S	.	.	S	Bend	trans	-151.3	159.3	-173.5	0	0	0	0	0	110.9	Y337 P347 Y353 Q354	Y337-A349 HydrophobicContact CD2-CB 3.74Å; Y337-A349 HydrophobicContact CE2-CB 4.5Å; Y337-A349 HydrophobicContact CG-CB 3.8Å; P347-A349 HydrophobicContact CB-CB 4.22Å; P347-A349 PolarHBondContact O-N 3.31Å; A349-Y353 HydrophobicContact CB-CD1 3.39Å; A349-Y353 HydrophobicContact CB-CE1 4.08Å; A349-Y353 HydrophobicContact CB-CG 3.91Å; A349-Q354 HydrophobicContact CB-CG 4.29Å; A349-Q354 PolarHBondContact O-NE2 2.9Å
350	P	82.9	Confident	79.1	Confident	19 Å²	19	72.5 Å²	72.5	12%	0.123	42%	0.422	C	S	.	.			trans	-56.6	155.2	172.6	-13.4	21.7	0	0	0	112.8	W260 Y337 W352 Y353 Q354	W260-P350 VanDerWaalsContact NE1-CD 3.26Å; W260-P350 VanDerWaalsContact NE1-CG 3.27Å; Y337-P350 VanDerWaalsContact CE2-CD 3.49Å; Y337-P350 HydrophobicContact CE2-CG 4.1Å; P350-W352 VanDerWaalsContact C-N 3.3Å; P350-W352 HydrophobicContact CB-CG 4.28Å; P350-W352 VanDerWaalsContact CB-NE1 3.32Å; P350-W352 HydrophobicContact CG-CZ2 4.15Å; P350-W352 PolarHBondContact O-N 3.36Å; P350-Y353 WeakPolarHBondContact O-CB 3.38Å; P350-Y353 PolarHBondContact O-N 2.84Å; P350-Y353 VanDerWaalsContact O-N 3.1Å; P350-Q354 PolarHBondContact O-N 2.71Å; P350-Q354 VanDerWaalsContact O-N 3.15Å
351	E	86.3	Confident	79.7	Confident	164 Å²	164	71.9 Å²	71.9	77%	0.766	41%	0.409	S	S	*	.	H	α-helix	trans	-55.6	-41.8	-179.4	-68.8	-171.6	168.5	0	0	113.1	Y353 Q354 V355	E351-Y353 VanDerWaalsContact C-N 3.3Å; E351-Y353 PolarHBondContact O-N 2.78Å; E351-Q354 PolarHBondContact O-N 3.16Å; E351-V355 WeakPolarHBondContact O-CG2 3.42Å; E351-V355 PolarHBondContact O-N 3.49Å
352	W	86.5	Confident	80.4	Confident	116 Å²	116	74 Å²	74	44%	0.439	43%	0.427	S	S	.	.	H	α-helix	trans	-59.4	-41.2	179.2	66.2	-102.2	0	0	0	111.8	H297 Y335 P350 V355 E356	H297-W352 HydrophobicContact CB-CH2 3.56Å; H297-W352 HydrophobicContact CB-CZ3 3.79Å; H297-W352 AromaticContact CD2-CZ3 3.79Å; Y335-W352 HydrophobicContact CD2-CH2 4.02Å; Y335-W352 HydrophobicContact CD2-CZ2 4.28Å; Y335-W352 AromaticContact CE2-CH2 3.97Å; Y335-W352 HydrophobicContact CE2-CH2 3.97Å; Y335-W352 HydrophobicContact CE2-CZ2 4.1Å; P350-W352 VanDerWaalsContact C-N 3.3Å; P350-W352 HydrophobicContact CB-CG 4.28Å; P350-W352 VanDerWaalsContact CB-NE1 3.32Å; P350-W352 HydrophobicContact CG-CZ2 4.15Å; P350-W352 PolarHBondContact O-N 3.36Å; W352-V355 PolarHBondContact O-N 3.16Å; W352-E356 PolarHBondContact O-N 2.89Å; W352-E356 VanDerWaalsContact O-N 3.07Å
353	Y	87.9	Confident	81.6	Confident	4 Å²	4	71.9 Å²	71.9	2%	0.016	41%	0.412	C	S	.	.	H	α-helix	trans	-66.5	-43	178.3	-176.4	-84.2	0	0	0	111.3	H297 F299 Y337 H339 A349 P350 E351 V355 E356 L357	H297-Y353 AromaticContact CD2-CD2 3.56Å; H297-Y353 AromaticContact CD2-CE2 3.56Å; H297-Y353 AromaticContact CE1-CE2 3.51Å; H297-Y353 AromaticContact CG-CE2 3.97Å; H297-Y353 AromaticContact ND1-CE2 3.94Å; H297-Y353 AromaticContact NE2-CD2 3.7Å; H297-Y353 AromaticContact NE2-CE2 3.21Å; H297-Y353 WeakPolarHBondContact NE2-CE2 3.21Å; F299-Y353 HydrophobicContact CE1-CE1 4.19Å; F299-Y353 HydrophobicContact CE1-CE2 4.14Å; F299-Y353 AromaticContact CE1-CZ 3.64Å; F299-Y353 VanDerWaalsContact CE1-OH 3.31Å; F299-Y353 WeakPolarHBondContact CE1-OH 3.44Å; F299-Y353 HydrophobicContact CZ-CD1 4.26Å; F299-Y353 HydrophobicContact CZ-CD2 4.23Å; F299-Y353 AromaticContact CZ-CE1 3.75Å; F299-Y353 HydrophobicContact CZ-CE1 3.75Å; F299-Y353 AromaticContact CZ-CE2 3.73Å; F299-Y353 HydrophobicContact CZ-CE2 3.73Å; F299-Y353 HydrophobicContact CZ-CG 4.48Å; F299-Y353 AromaticContact CZ-CZ 3.45Å; F299-Y353 VanDerWaalsContact CZ-CZ 3.45Å; Y337-Y353 HydrophobicContact CD2-CD1 4.07Å; Y337-Y353 AromaticContact CD2-CD2 3.61Å; Y337-Y353 HydrophobicContact CD2-CD2 3.61Å; Y337-Y353 HydrophobicContact CD2-CE1 4.17Å; Y337-Y353 AromaticContact CD2-CE2 3.7Å; Y337-Y353 HydrophobicContact CD2-CE2 3.7Å; Y337-Y353 AromaticContact CD2-CG 3.8Å; Y337-Y353 HydrophobicContact CD2-CG 3.8Å; Y337-Y353 AromaticContact CD2-CZ 3.99Å; Y337-Y353 HydrophobicContact CE2-CD2 4Å; Y337-Y353 HydrophobicContact CE2-CE2 4.38Å; Y337-Y353 HydrophobicContact CE2-CG 4.3Å; H339-Y353 AromaticContact CD2-CE1 3.92Å; H339-Y353 AromaticContact NE2-CE1 3.51Å; H339-Y353 AromaticContact NE2-CZ 3.6Å; H339-Y353 PolarHBondContact NE2-OH 3.01Å; A349-Y353 HydrophobicContact CB-CD1 3.39Å; A349-Y353 HydrophobicContact CB-CE1 4.08Å; A349-Y353 HydrophobicContact CB-CG 3.91Å; P350-Y353 WeakPolarHBondContact O-CB 3.38Å; P350-Y353 PolarHBondContact O-N 2.84Å; P350-Y353 VanDerWaalsContact O-N 3.1Å; E351-Y353 VanDerWaalsContact C-N 3.3Å; E351-Y353 PolarHBondContact O-N 2.78Å; Y353-V355 VanDerWaalsContact C-N 3.28Å; Y353-V355 PolarHBondContact O-N 3.39Å; Y353-E356 PolarHBondContact O-N 2.88Å; Y353-L357 HydrophobicContact CE1-CD2 4.46Å; Y353-L357 WeakPolarHBondContact O-CB 3.4Å; Y353-L357 PolarHBondContact O-N 2.76Å
354	Q	87.9	Confident	82.3	Confident	62 Å²	62	73.6 Å²	73.6	29%	0.29	40%	0.395	S	S	.	.	H	α-helix	trans	-63.5	-34.7	178.2	-63.1	-178.1	30.1	0	0	112.3	P347 A349 P350 E351 K358	P347-Q354 HydrophobicContact CB-CG 4.27Å; P347-Q354 HydrophobicContact CG-CG 4.39Å; P347-Q354 PolarHBondContact O-NE2 3.29Å; A349-Q354 HydrophobicContact CB-CG 4.29Å; A349-Q354 PolarHBondContact O-NE2 2.9Å; P350-Q354 PolarHBondContact O-N 2.71Å; P350-Q354 VanDerWaalsContact O-N 3.15Å; E351-Q354 PolarHBondContact O-N 3.16Å; Q354-K358 WeakPolarHBondContact O-CG 3.35Å; Q354-K358 PolarHBondContact O-N 3.33Å
355	V	88.2	Confident	82.8	Confident	101 Å²	101	76.5 Å²	76.5	61%	0.612	41%	0.41	S	S	*	.	H	α-helix	trans	-67.7	-48	175.4	172.1	0	0	0	0	110.6	E351 W352 Y353 L357 K358 A359	E351-V355 WeakPolarHBondContact O-CG2 3.42Å; E351-V355 PolarHBondContact O-N 3.49Å; W352-V355 PolarHBondContact O-N 3.16Å; Y353-V355 VanDerWaalsContact C-N 3.28Å; Y353-V355 PolarHBondContact O-N 3.39Å; V355-L357 PolarHBondContact O-N 3.28Å; V355-K358 PolarHBondContact O-N 2.83Å; V355-A359 PolarHBondContact O-N 3.26Å
356	E	87.6	Confident	82.7	Confident	68 Å²	68	81.3 Å²	81.3	32%	0.318	41%	0.413	S	S	.	.	H	α-helix	trans	-64	-38.9	177.5	-73.8	-173.5	169.4	0	0	112.5	H297 F299 W352 Y353 K358 A359 F360	H297-E356 IonicContact CD2-OE2 3.85Å; F299-E356 HydrophobicContact CD2-CB 4.27Å; F299-E356 HydrophobicContact CE2-CB 3.71Å; W352-E356 PolarHBondContact O-N 2.89Å; W352-E356 VanDerWaalsContact O-N 3.07Å; Y353-E356 PolarHBondContact O-N 2.88Å; E356-K358 VanDerWaalsContact C-N 3.32Å; E356-K358 PolarHBondContact O-N 2.89Å; E356-A359 WeakPolarHBondContact O-CB 3.29Å; E356-A359 PolarHBondContact O-N 2.84Å; E356-A359 VanDerWaalsContact O-N 3.13Å; E356-F360 WeakPolarHBondContact O-CB 3.28Å; E356-F360 PolarHBondContact O-N 3.33Å
357	L	89.3	Confident	83.7	Confident	10 Å²	10	84 Å²	84	5%	0.052	42%	0.42	C	S	.	.	H	α-helix	trans	-58.1	-44.9	177	179.7	60.3	0	0	0	111.5	F299 H339 P347 Y353 V355 A359 F360 Q361	F299-L357 HydrophobicContact CD1-CD1 4.34Å; F299-L357 HydrophobicContact CE1-CB 4.35Å; F299-L357 HydrophobicContact CE1-CD1 3.55Å; F299-L357 HydrophobicContact CE2-CB 4.12Å; F299-L357 HydrophobicContact CZ-CB 3.61Å; F299-L357 HydrophobicContact CZ-CD1 3.73Å; F299-L357 HydrophobicContact CZ-CG 4.24Å; H339-L357 HydrophobicContact CB-CD2 4.43Å; P347-L357 HydrophobicContact CB-CD2 4.5Å; P347-L357 HydrophobicContact CG-CD2 3.68Å; Y353-L357 HydrophobicContact CE1-CD2 4.46Å; Y353-L357 WeakPolarHBondContact O-CB 3.4Å; Y353-L357 PolarHBondContact O-N 2.76Å; V355-L357 PolarHBondContact O-N 3.28Å; L357-A359 VanDerWaalsContact C-N 3.35Å; L357-F360 PolarHBondContact O-N 2.86Å; L357-Q361 HydrophobicContact CD1-CG 4.29Å; L357-Q361 WeakPolarHBondContact O-CB 3.47Å; L357-Q361 VanDerWaalsContact O-CG 3.26Å; L357-Q361 WeakPolarHBondContact O-CG 3.33Å; L357-Q361 PolarHBondContact O-N 3.24Å
358	K	88.9	Confident	84.2	Confident	142 Å²	142	86.9 Å²	86.9	62%	0.617	43%	0.432	S	S	*	.	H	α-helix	trans	-63.5	-41.5	176.8	-72.7	173.4	-176.1	169.8	0	111.6	Q354 V355 E356 A362	Q354-K358 WeakPolarHBondContact O-CG 3.35Å; Q354-K358 PolarHBondContact O-N 3.33Å; V355-K358 PolarHBondContact O-N 2.83Å; E356-K358 VanDerWaalsContact C-N 3.32Å; E356-K358 PolarHBondContact O-N 2.89Å; K358-A362 WeakPolarHBondContact O-CB 3.32Å; K358-A362 PolarHBondContact O-N 3.04Å; K358-A362 VanDerWaalsContact O-N 3.1Å
359	A	88.8	Confident	84.4	Confident	58 Å²	58	87.6 Å²	87.6	48%	0.479	44%	0.437	S	S	.	.	H	α-helix	trans	-63.6	-45.6	176.9	0	0	0	0	0	111.3	V355 E356 L357 A362 T363	V355-A359 PolarHBondContact O-N 3.26Å; E356-A359 WeakPolarHBondContact O-CB 3.29Å; E356-A359 PolarHBondContact O-N 2.84Å; E356-A359 VanDerWaalsContact O-N 3.13Å; L357-A359 VanDerWaalsContact C-N 3.35Å; A359-A362 WeakPolarHBondContact O-CB 3.23Å; A359-A362 PolarHBondContact O-N 3.42Å; A359-T363 PolarHBondContact O-N 2.94Å
360	F	89.7	Confident	84.5	Confident	56 Å²	56	92.1 Å²	92.1	25%	0.246	46%	0.457	C	S	.	.	H	α-helix	trans	-60.6	-48.8	176.8	177.5	-108.3	0	0	0	112	F299 T300 E356 L357 A362 T363 Q364	F299-F360 HydrophobicContact CB-CB 4.19Å; F299-F360 HydrophobicContact CB-CD1 3.9Å; F299-F360 HydrophobicContact CB-CD2 3.58Å; F299-F360 HydrophobicContact CB-CE1 4.13Å; F299-F360 HydrophobicContact CB-CE2 3.84Å; F299-F360 HydrophobicContact CB-CG 3.61Å; F299-F360 HydrophobicContact CB-CZ 4.1Å; F299-F360 HydrophobicContact CD1-CD1 4.1Å; F299-F360 HydrophobicContact CD1-CG 4.44Å; F299-F360 HydrophobicContact CD2-CB 3.97Å; F299-F360 HydrophobicContact CD2-CG 4.28Å; F299-F360 HydrophobicContact CG-CB 4.06Å; F299-F360 AromaticContact CG-CD1 3.98Å; F299-F360 HydrophobicContact CG-CD1 3.98Å; F299-F360 HydrophobicContact CG-CD2 4.34Å; F299-F360 AromaticContact CG-CG 3.86Å; F299-F360 HydrophobicContact CG-CG 3.86Å; T300-F360 HydrophobicContact CG2-CE2 3.84Å; E356-F360 WeakPolarHBondContact O-CB 3.28Å; E356-F360 PolarHBondContact O-N 3.33Å; L357-F360 PolarHBondContact O-N 2.86Å; F360-A362 VanDerWaalsContact C-N 3.25Å; F360-A362 PolarHBondContact O-N 2.9Å; F360-T363 PolarHBondContact O-N 3.35Å; F360-T363 PolarHBondContact O-OG1 2.97Å; F360-Q364 HydrophobicContact CE1-CG 4.1Å; F360-Q364 HydrophobicContact CE2-CG 4.35Å; F360-Q364 HydrophobicContact CZ-CG 4.02Å; F360-Q364 PolarHBondContact O-N 3.19Å
361	Q	89.4	Confident	84.6	Confident	89 Å²	89	96.6 Å²	96.6	42%	0.416	48%	0.478	S	S	.	.	H	α-helix	trans	-58	-37.5	176.4	-73.2	172.7	-11.8	0	0	112.5	L357 T363 Q364 Q365	L357-Q361 HydrophobicContact CD1-CG 4.29Å; L357-Q361 WeakPolarHBondContact O-CB 3.47Å; L357-Q361 VanDerWaalsContact O-CG 3.26Å; L357-Q361 WeakPolarHBondContact O-CG 3.33Å; L357-Q361 PolarHBondContact O-N 3.24Å; Q361-T363 VanDerWaalsContact C-N 3.29Å; Q361-T363 PolarHBondContact O-N 3.21Å; Q361-Q364 PolarHBondContact O-N 2.82Å; Q361-Q365 WeakPolarHBondContact O-CG 3.5Å; Q361-Q365 PolarHBondContact O-N 2.81Å
362	A	88.9	Confident	84.5	Confident	52 Å²	52	92.1 Å²	92.1	43%	0.43	46%	0.458	S	S	.	.	H	α-helix	trans	-67.7	-27.4	175.9	0	0	0	0	0	113.3	K358 A359 F360	K358-A362 WeakPolarHBondContact O-CB 3.32Å; K358-A362 PolarHBondContact O-N 3.04Å; K358-A362 VanDerWaalsContact O-N 3.1Å; A359-A362 WeakPolarHBondContact O-CB 3.23Å; A359-A362 PolarHBondContact O-N 3.42Å; F360-A362 VanDerWaalsContact C-N 3.25Å; F360-A362 PolarHBondContact O-N 2.9Å
363	T	87.6	Confident	84.3	Confident	85 Å²	85	90.4 Å²	90.4	52%	0.521	46%	0.46	S	S	.	.	H	α-helix	trans	-76.2	-30.4	174.1	62.7	0	0	0	0	113.2	A359 F360 Q361 Q365	A359-T363 PolarHBondContact O-N 2.94Å; F360-T363 PolarHBondContact O-N 3.35Å; F360-T363 PolarHBondContact O-OG1 2.97Å; Q361-T363 VanDerWaalsContact C-N 3.29Å; Q361-T363 PolarHBondContact O-N 3.21Å; T363-Q365 VanDerWaalsContact C-N 3.33Å
364	Q	80.1	Confident	84	Confident	128 Å²	128	97.1 Å²	97.1	60%	0.598	49%	0.494	S	S	*	.	H	α-helix	trans	-75.5	-20.1	177.8	-66	-68.8	-30.9	0	0	113.4	F360 Q361	F360-Q364 HydrophobicContact CE1-CG 4.1Å; F360-Q364 HydrophobicContact CE2-CG 4.35Å; F360-Q364 HydrophobicContact CZ-CG 4.02Å; F360-Q364 PolarHBondContact O-N 3.19Å; Q361-Q364 PolarHBondContact O-N 2.82Å
365	Q	72.9	Confident	83.7	Confident	171 Å²	171	100 Å²	100	80%	0.799	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	-3.1	178.7	-69.9	178.5	8.6	0	0	113.8	Q361 T363	Q361-Q365 WeakPolarHBondContact O-CG 3.5Å; Q361-Q365 PolarHBondContact O-N 2.81Å; T363-Q365 VanDerWaalsContact C-N 3.33Å
366	K	53.3	Low	83.3	Confident	240 Å²	240	99.9 Å²	99.9	100%	1.043	50%	0.502	S	S	*	.			trans	-100.3	0	173.6	-72.1	-177.8	179.8	176.7	0	109.9

Retrieved 366 of 366 residues in 399.2 ms (Link to these results)

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