A0A3Q0KP48_SCHMA Loading...

H(+)-transporting two-sector ATPase

AlphaFold DB , UniProt , Accession A0A3Q0KP48, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 620 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	38.5	Very low	38.4	Very low	213 Å²	213	157.8 Å²	157.8	100%	1.049	74%	0.739	S	S	*	*				0	-24	0	-108.1	-179	-81	0	0	112.9	S4	M1-S4 PolarHBondContact O-OG 3.27Å
2	E	36.1	Very low	38.6	Very low	177 Å²	177	158.9 Å²	158.9	83%	0.827	75%	0.753	S	S	*	*			trans	-83	-20	176.4	-74.7	174.7	137.5	0	0	115.4
3	Q	33.7	Very low	39.1	Very low	179 Å²	179	152.2 Å²	152.2	84%	0.836	75%	0.753	S	S	*	*	G	3₁₀ helix	trans	-79.5	-19.8	178.5	-87.3	176.6	-30	0	0	114.1	L5	Q3-L5 VanDerWaalsContact C-N 3.35Å; Q3-L5 PolarHBondContact O-N 3.46Å
4	S	34.4	Very low	40.1	Very low	89 Å²	89	144.6 Å²	144.6	62%	0.622	72%	0.721	S	S	*	*	G	3₁₀ helix	trans	-85.7	-0.7	-177.3	50	0	0	0	0	114.6	M1	M1-S4 PolarHBondContact O-OG 3.27Å
5	L	38.5	Very low	41.3	Very low	150 Å²	150	147.7 Å²	147.7	79%	0.785	72%	0.721	S	S	*	*	G	3₁₀ helix	trans	-100.6	-4	176.5	-83.8	153.1	0	0	0	113	Q3	Q3-L5 VanDerWaalsContact C-N 3.35Å; Q3-L5 PolarHBondContact O-N 3.46Å
6	R	36.1	Very low	42.4	Very low	216 Å²	216	149.7 Å²	149.7	82%	0.815	73%	0.729	S	S	*	*			trans	-94.3	-8.2	-178.6	-80.4	-175.3	172.9	-174.7	-2.5	114.6	L8	R6-L8 PolarHBondContact O-N 3.48Å; R6-L8 VanDerWaalsContact O-N 3.15Å
7	E	35.1	Very low	43.8	Very low	171 Å²	171	145.2 Å²	145.2	80%	0.799	72%	0.716	S	S	*	*	S	Bend	trans	-76	103.2	169.2	-73.9	178.5	173.4	0	0	107.6	R9	E7-R9 PolarHBondContact O-N 3.02Å
8	L	39.4	Very low	45.6	Very low	64 Å²	64	141.6 Å²	141.6	34%	0.335	70%	0.697	S	S	.	*			trans	-37.7	138.2	171.4	-81.5	133	0	0	0	110.4	R6 I10 P79	R6-L8 PolarHBondContact O-N 3.48Å; R6-L8 VanDerWaalsContact O-N 3.15Å; L8-I10 HydrophobicContact CB-CD1 4.14Å; L8-I10 HydrophobicContact CB-CG1 3.64Å; L8-I10 PolarHBondContact O-N 3.06Å; L8-P79 HydrophobicContact CD1-CG 4.28Å; L8-P79 HydrophobicContact CD2-CG 3.97Å
9	R	41.4	Very low	47.7	Very low	233 Å²	233	136.3 Å²	136.3	88%	0.879	67%	0.669	S	S	*	*			trans	-64	65.4	157.5	-73.6	-179.7	170.7	178.8	-2.5	108.9	E7 E11	E7-R9 PolarHBondContact O-N 3.02Å; R9-E11 PolarHBondContact O-N 2.71Å; R9-E11 VanDerWaalsContact O-N 3.07Å
10	I	43.8	Very low	50	Low	84 Å²	84	129.5 Å²	129.5	43%	0.431	64%	0.635	S	S	.	*			trans	-70.1	102.2	163.8	-60.3	168	0	0	0	103.6	L8 N12	L8-I10 HydrophobicContact CB-CD1 4.14Å; L8-I10 HydrophobicContact CB-CG1 3.64Å; L8-I10 PolarHBondContact O-N 3.06Å; I10-N12 PolarHBondContact O-N 3.4Å
11	E	44.8	Very low	52.1	Low	160 Å²	160	129 Å²	129	75%	0.748	63%	0.628	S	S	*	*			trans	-54.3	113.9	158.3	-78.2	-172.1	162.5	0	0	106.2	R9 G13 S14	R9-E11 PolarHBondContact O-N 2.71Å; R9-E11 VanDerWaalsContact O-N 3.07Å; E11-G13 PolarHBondContact O-N 2.93Å; E11-S14 PolarHBondContact O-N 3.21Å; E11-S14 PolarHBondContact O-OG 3.21Å
12	N	40.7	Very low	54.8	Low	171 Å²	171	119 Å²	119	91%	0.914	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.8	10.7	-173	-82.1	-30.8	0	0	0	115.3	I10	I10-N12 PolarHBondContact O-N 3.4Å
13	G	46	Very low	57.6	Low	72 Å²	72	117.5 Å²	117.5	74%	0.742	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.7	-7.2	174.7	0	0	0	0	0	115.5	E11 R15	E11-G13 PolarHBondContact O-N 2.93Å; G13-R15 PolarHBondContact O-N 3.05Å
14	S	52.4	Low	60.4	Low	45 Å²	45	110.9 Å²	110.9	32%	0.315	54%	0.542	S	S	.	.			trans	-77.5	110.1	-177.9	-47.2	0	0	0	0	110.4	E11 E16	E11-S14 PolarHBondContact O-N 3.21Å; E11-S14 PolarHBondContact O-OG 3.21Å; S14-E16 PolarHBondContact O-N 3.3Å
15	R	58.5	Low	63.2	Low	191 Å²	191	109.3 Å²	109.3	72%	0.721	53%	0.528	S	S	*	.			trans	-61.6	134.9	179	-66.4	176.4	170.2	173.9	-2.8	110	G13 S17 H18	G13-R15 PolarHBondContact O-N 3.05Å; R15-S17 PolarHBondContact O-N 3.48Å; R15-H18 WeakPolarHBondContact O-CB 3.37Å; R15-H18 PolarHBondContact O-N 3.33Å; R15-H18 PolarHBondContact O-ND1 3.06Å
16	E	58.7	Low	65.5	Low	180 Å²	180	105.7 Å²	105.7	84%	0.841	52%	0.516	S	S	*	.	G	3₁₀ helix	trans	-44.8	-32.7	175.2	-74.2	-177.6	157	0	0	113.2	S14 H18 Y19	S14-E16 PolarHBondContact O-N 3.3Å; E16-H18 PolarHBondContact O-N 2.8Å; E16-Y19 PolarHBondContact O-N 3.04Å; E16-Y19 VanDerWaalsContact O-N 3.13Å
17	S	66.6	Low	67.9	Low	74 Å²	74	97.1 Å²	97.1	52%	0.517	50%	0.495	S	S	.	.	G	3₁₀ helix	trans	-55.6	-16.8	175.3	66.1	0	0	0	0	114.5	R15 R82	R15-S17 PolarHBondContact O-N 3.48Å; S17-R82 PolarHBondContact O-NH2 3.32Å
18	H	76.6	Confident	70.3	Confident	79 Å²	79	90.6 Å²	90.6	37%	0.366	47%	0.467	S	S	.	.	G	3₁₀ helix	trans	-89	-7.3	-177.4	-64.3	68	0	0	0	113.5	R15 E16 L81 R82	R15-H18 WeakPolarHBondContact O-CB 3.37Å; R15-H18 PolarHBondContact O-N 3.33Å; R15-H18 PolarHBondContact O-ND1 3.06Å; E16-H18 PolarHBondContact O-N 2.8Å; H18-L81 HydrophobicContact CB-CD1 4.29Å; H18-R82 WeakPolarHBondContact O-CB 3.35Å; H18-R82 WeakPolarHBondContact O-CG 3.49Å; H18-R82 PolarHBondContact O-N 3.46Å; H18-R82 PolarHBondContact O-NE 3.5Å
19	Y	85.3	Confident	72.7	Confident	41 Å²	41	88.3 Å²	88.3	16%	0.161	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	135.5	-177.4	-66.6	-87.7	0	0	0	111.5	E16 P79 V80 L81	E16-Y19 PolarHBondContact O-N 3.04Å; E16-Y19 VanDerWaalsContact O-N 3.13Å; Y19-P79 HydrophobicContact CD1-CB 4.23Å; Y19-V80 CarbonylContact C-O 3.58Å; Y19-V80 WeakPolarHBondContact CA-O 3.38Å; Y19-L81 HydrophobicContact CD1-CB 4.16Å; Y19-L81 HydrophobicContact CD1-CD1 4.25Å; Y19-L81 HydrophobicContact CE1-CB 3.88Å; Y19-L81 HydrophobicContact CE1-CD1 3.77Å; Y19-L81 HydrophobicContact CE1-CG 4.34Å; Y19-L81 HydrophobicContact CE2-CD1 4.28Å
20	G	92.7	Very high	75.2	Confident	0 Å²	0	77.2 Å²	77.2	0%	0	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	-175.8	156	0	0	0	0	0	111.1	S33 V80	G20-S33 CarbonylContact C-O 3.6Å; G20-S33 VanDerWaalsContact CA-O 3.24Å; G20-S33 WeakPolarHBondContact CA-O 3.37Å; G20-V80 PolarHBondContact N-O 2.72Å; G20-V80 PolarHBondContact O-N 3.23Å
21	Y	94.7	Very high	77.6	Confident	121 Å²	121	74.9 Å²	74.9	48%	0.475	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	139.5	-179.4	-61.7	-79.7	0	0	0	111	Y23 A32 S33 D78	Y21-Y23 PolarHBondContact O-N 3.14Å; Y21-A32 CarbonylContact O-C 3.6Å; Y21-A32 WeakPolarHBondContact O-CA 3.36Å; Y21-S33 PolarHBondContact N-O 3.25Å; Y21-S33 PolarHBondContact O-N 3.12Å; Y21-S33 PolarHBondContact O-OG 3.37Å; Y21-D78 CarbonylContact C-O 3.56Å; Y21-D78 WeakPolarHBondContact CA-O 3.47Å
22	V	95.7	Very high	80	Confident	2 Å²	2	67.2 Å²	67.2	1%	0.012	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	119.3	175.8	175.1	0	0	0	0	109.7	V25 V30 V46 V74 V76 G77 D78 V80	V22-V25 HydrophobicContact CG1-CG2 3.52Å; V22-V30 HydrophobicContact CB-CG1 4.41Å; V22-V30 HydrophobicContact CG1-CG1 3.85Å; V22-V30 HydrophobicContact CG2-CG1 3.88Å; V22-V46 HydrophobicContact CG2-CG1 3.99Å; V22-V74 HydrophobicContact CG1-CG1 4.3Å; V22-V74 HydrophobicContact CG2-CG1 4.06Å; V22-V76 WeakPolarHBondContact O-CG1 3.37Å; V22-G77 PolarHBondContact O-N 3.49Å; V22-D78 HydrophobicContact CB-CB 4.27Å; V22-D78 HydrophobicContact CG2-CB 3.92Å; V22-D78 WeakPolarHBondContact CG2-O 3.47Å; V22-D78 PolarHBondContact N-O 3.23Å; V22-V80 HydrophobicContact CG2-CG2 3.66Å
23	Y	94.8	Very high	82.6	Confident	146 Å²	146	60.5 Å²	60.5	57%	0.573	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95	-40.7	177.3	179.5	-100.8	0	0	0	111.8	Y21 T31	Y21-Y23 PolarHBondContact O-N 3.14Å; Y23-T31 WeakPolarHBondContact CA-O 3.46Å; Y23-T31 WeakPolarHBondContact CB-O 3.36Å; Y23-T31 HydrophobicContact CD1-CG2 4.37Å; Y23-T31 PolarHBondContact N-O 2.86Å
24	A	93.2	Very high	84.8	Confident	39 Å²	39	59.8 Å²	59.8	32%	0.322	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	151.1	178.4	0	0	0	0	0	111.6	V30 T31	A24-V30 CarbonylContact O-C 3.59Å; A24-V30 WeakPolarHBondContact O-CA 3.48Å; A24-T31 PolarHBondContact N-O 2.82Å; A24-T31 VanDerWaalsContact N-O 3.07Å; A24-T31 PolarHBondContact O-N 3.41Å
25	V	91.6	Very high	86.6	Confident	56 Å²	56	57.8 Å²	57.8	34%	0.339	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	127.8	176.7	-178.3	0	0	0	0	108.9	V22 V30 V74	V22-V25 HydrophobicContact CG1-CG2 3.52Å; V25-V30 HydrophobicContact CG1-CG2 4.18Å; V25-V30 HydrophobicContact CG2-CG1 4.31Å; V25-V30 HydrophobicContact CG2-CG2 4.23Å; V25-V74 HydrophobicContact CG2-CB 4.39Å; V25-V74 HydrophobicContact CG2-CG1 3.93Å
26	S	87.2	Confident	87.9	Confident	75 Å²	75	51.7 Å²	51.7	52%	0.524	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	94.2	176.9	-174	0	0	0	0	110.5	V29	S26-V29 PolarHBondContact N-O 3.41Å; S26-V29 PolarHBondContact O-N 3.33Å
27	G	85.7	Confident	89.2	Confident	36 Å²	36	46.9 Å²	46.9	37%	0.371	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.5	-130.8	-173.5	0	0	0	0	0	111	V29 T71	G27-V29 PolarHBondContact O-N 3.38Å; G27-T71 WeakPolarHBondContact O-CB 3.42Å; G27-T71 WeakPolarHBondContact O-CG2 3.36Å; G27-T71 PolarHBondContact O-OG1 3.39Å
28	P	86.9	Confident	90.4	Very high	33 Å²	33	44 Å²	44	21%	0.214	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-6	-179.3	32.5	-35.5	0	0	0	114	V67	P28-V67 PolarHBondContact O-N 3.05Å
29	V	90.1	Very high	91	Very high	17 Å²	17	42.9 Å²	42.9	10%	0.103	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	126.2	-178.3	-177.7	0	0	0	0	109.7	S26 G27 T64 I65 R365	S26-V29 PolarHBondContact N-O 3.41Å; S26-V29 PolarHBondContact O-N 3.33Å; G27-V29 PolarHBondContact O-N 3.38Å; V29-T64 HydrophobicContact CG1-CG2 3.33Å; V29-I65 WeakPolarHBondContact CA-O 3.48Å; V29-R365 HydrophobicContact CG2-CB 3.92Å
30	V	93.2	Very high	91.3	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	129.1	177.8	177.8	0	0	0	0	108.6	V22 A24 V25 V46 I65 V67 T71	V22-V30 HydrophobicContact CB-CG1 4.41Å; V22-V30 HydrophobicContact CG1-CG1 3.85Å; V22-V30 HydrophobicContact CG2-CG1 3.88Å; A24-V30 CarbonylContact O-C 3.59Å; A24-V30 WeakPolarHBondContact O-CA 3.48Å; V25-V30 HydrophobicContact CG1-CG2 4.18Å; V25-V30 HydrophobicContact CG2-CG1 4.31Å; V25-V30 HydrophobicContact CG2-CG2 4.23Å; V30-V46 HydrophobicContact CG1-CG1 4.04Å; V30-V46 HydrophobicContact CG2-CG1 4.36Å; V30-I65 HydrophobicContact CB-CB 4.5Å; V30-I65 PolarHBondContact N-O 2.81Å; V30-I65 WeakPolarHBondContact O-CA 3.38Å; V30-I65 WeakPolarHBondContact O-CB 3.38Å; V30-I65 PolarHBondContact O-N 3.4Å; V30-V67 HydrophobicContact CB-CG2 4.19Å; V30-V67 HydrophobicContact CG2-CG2 3.58Å; V30-T71 HydrophobicContact CG2-CG2 3.98Å
31	T	94.6	Very high	91.1	Very high	34 Å²	34	48.9 Å²	48.9	21%	0.209	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	125.9	171.1	-56.1	0	0	0	0	108.4	Y23 A24 L62 A63	Y23-T31 WeakPolarHBondContact CA-O 3.46Å; Y23-T31 WeakPolarHBondContact CB-O 3.36Å; Y23-T31 HydrophobicContact CD1-CG2 4.37Å; Y23-T31 PolarHBondContact N-O 2.86Å; A24-T31 PolarHBondContact N-O 2.82Å; A24-T31 VanDerWaalsContact N-O 3.07Å; A24-T31 PolarHBondContact O-N 3.41Å; T31-L62 HydrophobicContact CG2-CB 4.38Å; T31-L62 HydrophobicContact CG2-CD2 4.38Å; T31-A63 CarbonylContact C-O 3.55Å; T31-A63 WeakPolarHBondContact CA-O 3.29Å
32	A	95.6	Very high	91	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	140.7	177	0	0	0	0	0	111.4	Y21 M35 L62 A63 I65 V80	Y21-A32 CarbonylContact O-C 3.6Å; Y21-A32 WeakPolarHBondContact O-CA 3.36Å; A32-M35 HydrophobicContact CB-CG 3.75Å; A32-M35 HydrophobicContact CB-SD 4.11Å; A32-L62 WeakPolarHBondContact O-CA 3.46Å; A32-A63 PolarHBondContact N-O 2.95Å; A32-A63 PolarHBondContact O-N 3.11Å; A32-I65 HydrophobicContact CB-CD1 3.62Å; A32-V80 HydrophobicContact CB-CB 4.34Å; A32-V80 HydrophobicContact CB-CG2 3.87Å
33	S	94.7	Very high	90.8	Very high	29 Å²	29	44.7 Å²	44.7	20%	0.203	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	166.1	173.1	58.6	0	0	0	0	111.8	G20 Y21 M35	G20-S33 CarbonylContact C-O 3.6Å; G20-S33 VanDerWaalsContact CA-O 3.24Å; G20-S33 WeakPolarHBondContact CA-O 3.37Å; Y21-S33 PolarHBondContact N-O 3.25Å; Y21-S33 PolarHBondContact O-N 3.12Å; Y21-S33 PolarHBondContact O-OG 3.37Å; S33-M35 VanDerWaalsContact C-N 3.26Å; S33-M35 PolarHBondContact O-N 2.99Å
34	S	92.5	Very high	90.7	Very high	58 Å²	58	37.7 Å²	37.7	41%	0.406	26%	0.263	S	S	.	.	S	Bend	trans	62	35.6	-176.5	-52.7	0	0	0	0	112.6	D61	S34-D61 VanDerWaalsContact CA-OD1 3.29Å; S34-D61 WeakPolarHBondContact CA-OD1 3.38Å; S34-D61 WeakPolarHBondContact CA-OD2 3.18Å; S34-D61 PolarHBondContact N-O 2.96Å; S34-D61 PolarHBondContact N-OD2 2.96Å
35	M	90.4	Very high	90.8	Very high	3 Å²	3	38 Å²	38	2%	0.015	26%	0.255	C	S	.	.			trans	-100.2	15.3	-178	-64.8	-66.4	-71.2	0	0	112.4	A32 S33 G37 S38 V44 I55 D61 A63 I65 V80 R82	A32-M35 HydrophobicContact CB-CG 3.75Å; A32-M35 HydrophobicContact CB-SD 4.11Å; S33-M35 VanDerWaalsContact C-N 3.26Å; S33-M35 PolarHBondContact O-N 2.99Å; M35-G37 PolarHBondContact O-N 3.21Å; M35-S38 WeakPolarHBondContact O-CB 3.33Å; M35-S38 PolarHBondContact O-N 3.35Å; M35-S38 VanDerWaalsContact O-N 3.11Å; M35-S38 PolarHBondContact O-OG 3.32Å; M35-V44 HydrophobicContact CE-CG1 4.06Å; M35-I55 HydrophobicContact CE-CD1 3.87Å; M35-D61 PolarHBondContact N-O 3.38Å; M35-D61 VanDerWaalsContact N-O 3.12Å; M35-D61 PolarHBondContact N-OD1 3.04Å; M35-D61 VanDerWaalsContact N-OD1 3.11Å; M35-A63 HydrophobicContact CB-CB 3.67Å; M35-A63 HydrophobicContact CE-CB 4.3Å; M35-A63 HydrophobicContact CG-CB 3.81Å; M35-I65 HydrophobicContact CE-CD1 4.37Å; M35-V80 HydrophobicContact CE-CG1 3.96Å; M35-V80 HydrophobicContact SD-CB 4.34Å; M35-V80 HydrophobicContact SD-CG1 4.13Å; M35-R82 HydrophobicContact CE-CG 3.77Å; M35-R82 HydrophobicContact SD-CG 4.33Å
36	A	86	Confident	90.8	Very high	63 Å²	63	35.4 Å²	35.4	52%	0.521	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	127	174.4	0	0	0	0	0	112.7	D61 R82	A36-D61 WeakPolarHBondContact CB-OD1 3.47Å; A36-D61 PolarHBondContact N-OD1 3.29Å; A36-R82 PolarHBondContact O-NH1 3.48Å; A36-R82 PolarHBondContact O-NH2 2.65Å
37	G	86	Confident	91.1	Very high	79 Å²	79	32 Å²	32	81%	0.814	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	91.9	2.5	-177.9	0	0	0	0	0	115.3	M35	M35-G37 PolarHBondContact O-N 3.21Å
38	S	90	Very high	91.3	Very high	14 Å²	14	35.3 Å²	35.3	10%	0.098	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-76.9	149.1	173	-42.3	0	0	0	0	110.9	M35 E42 L58 R82	M35-S38 WeakPolarHBondContact O-CB 3.33Å; M35-S38 PolarHBondContact O-N 3.35Å; M35-S38 VanDerWaalsContact O-N 3.11Å; M35-S38 PolarHBondContact O-OG 3.32Å; S38-E42 WeakPolarHBondContact CA-OE2 3.39Å; S38-L58 WeakPolarHBondContact O-CD1 3.45Å; S38-R82 VanDerWaalsContact N-NH1 3.11Å; S38-R82 WeakPolarHBondContact OG-CD 3.35Å; S38-R82 PolarHBondContact OG-NH1 3Å; S38-R82 VanDerWaalsContact OG-NH1 3.15Å
39	A	91	Very high	91.4	Very high	55 Å²	55	37.7 Å²	37.7	46%	0.455	23%	0.233	S	C	.	.	P	Polyproline II helix	trans	-95.8	154.9	176.3	0	0	0	0	0	111.9	E42	A39-E42 HydrophobicContact CB-CB 4.26Å; A39-E42 PolarHBondContact N-OE2 3.13Å; A39-E42 WeakPolarHBondContact O-CB 3.43Å; A39-E42 PolarHBondContact O-N 2.77Å
40	M	90.7	Very high	91.5	Very high	92 Å²	92	40 Å²	40	45%	0.453	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	138.5	171.8	-146.9	-85.7	-81	0	0	109.5	E42 L58	M40-E42 PolarHBondContact O-N 2.99Å; M40-L58 HydrophobicContact CB-CD1 4.36Å
41	Y	88.6	Confident	91.5	Very high	75 Å²	75	40 Å²	40	29%	0.294	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.1	18.3	-168.7	-52.9	-61.9	0	0	0	115.8	I55 P86 R382	Y41-I55 WeakPolarHBondContact CA-O 3.18Å; Y41-I55 PolarHBondContact N-O 3.05Å; Y41-P86 VanDerWaalsContact O-CA 3.31Å; Y41-P86 WeakPolarHBondContact O-CA 3.47Å; Y41-R382 PolarHBondContact OH-NH2 3.18Å
42	E	91.8	Very high	91.3	Very high	11 Å²	11	38.9 Å²	38.9	5%	0.051	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	139.6	172.5	-167.8	-171	146.4	0	0	110.9	S38 A39 M40 E54 I55 R82 T83 G84	S38-E42 WeakPolarHBondContact CA-OE2 3.39Å; A39-E42 HydrophobicContact CB-CB 4.26Å; A39-E42 PolarHBondContact N-OE2 3.13Å; A39-E42 WeakPolarHBondContact O-CB 3.43Å; A39-E42 PolarHBondContact O-N 2.77Å; M40-E42 PolarHBondContact O-N 2.99Å; E42-E54 WeakPolarHBondContact O-CA 3.49Å; E42-I55 HydrophobicContact CB-CD1 4.2Å; E42-I55 PolarHBondContact O-N 3.35Å; E42-R82 WeakPolarHBondContact OE1-CB 3.31Å; E42-T83 PolarHBondContact OE1-N 2.74Å; E42-G84 VanDerWaalsContact OE1-CA 3.26Å; E42-G84 WeakPolarHBondContact OE1-CA 3.29Å; E42-G84 PolarHBondContact OE1-N 3.28Å
43	L	92.3	Very high	91.2	Very high	23 Å²	23	38.9 Å²	38.9	12%	0.12	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	137.1	173.8	-167.9	138.2	0	0	0	110.1	V52 G53 T83 K85 L87	L43-V52 HydrophobicContact CD1-CG1 3.66Å; L43-V52 HydrophobicContact CD2-CG1 4.08Å; L43-V52 HydrophobicContact CG-CG1 3.89Å; L43-G53 CarbonylContact C-O 3.58Å; L43-G53 VanDerWaalsContact CA-O 3.32Å; L43-G53 WeakPolarHBondContact CA-O 3.32Å; L43-T83 HydrophobicContact CD2-CG2 3.66Å; L43-T83 WeakPolarHBondContact O-CB 3.41Å; L43-T83 WeakPolarHBondContact O-CG2 3.37Å; L43-T83 PolarHBondContact O-N 3.37Å; L43-T83 PolarHBondContact O-OG1 3.29Å; L43-K85 WeakPolarHBondContact CB-O 3.47Å; L43-K85 PolarHBondContact N-O 3.12Å; L43-L87 HydrophobicContact CD1-CB 4.28Å; L43-L87 HydrophobicContact CD1-CD1 3.64Å
44	V	93.2	Very high	91	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	157.9	-179.9	-64.4	0	0	0	0	110.1	M35 V46 G53 I55 I65 V80 L81 R82	M35-V44 HydrophobicContact CE-CG1 4.06Å; V44-V46 HydrophobicContact CG2-CG2 3.95Å; V44-G53 PolarHBondContact N-O 2.62Å; V44-G53 PolarHBondContact O-N 2.7Å; V44-I55 HydrophobicContact CG1-CD1 3.81Å; V44-I55 HydrophobicContact CG1-CG1 3.86Å; V44-I65 HydrophobicContact CG2-CB 4.37Å; V44-I65 HydrophobicContact CG2-CD1 3.99Å; V44-I65 HydrophobicContact CG2-CG1 4.01Å; V44-I65 HydrophobicContact CG2-CG2 3.42Å; V44-I65 VanDerWaalsContact CG2-CG2 3.42Å; V44-V80 HydrophobicContact CB-CG1 3.97Å; V44-V80 HydrophobicContact CG1-CG1 4.42Å; V44-V80 HydrophobicContact CG2-CG1 4.26Å; V44-L81 CarbonylContact C-O 3.6Å; V44-L81 VanDerWaalsContact CA-O 3.3Å; V44-L81 WeakPolarHBondContact CA-O 3.42Å; V44-R82 HydrophobicContact CG1-CG 4.44Å
45	R	93.8	Very high	91.1	Very high	46 Å²	46	34.7 Å²	34.7	17%	0.174	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	114	173.2	-59.2	-66.7	-175.5	154	-1.4	108.4	E50 L51 V80 L81 T83	R45-E50 HydrophobicContact CB-CB 4.07Å; R45-E50 HydrophobicContact CB-CG 4.42Å; R45-E50 VanDerWaalsContact CD-O 3.32Å; R45-E50 WeakPolarHBondContact CD-O 3.44Å; R45-E50 HydrophobicContact CG-CB 4.5Å; R45-E50 PolarHBondContact NH1-O 3.42Å; R45-L51 CarbonylContact C-O 3.45Å; R45-L51 WeakPolarHBondContact CA-O 3.33Å; R45-V80 CarbonylContact O-C 3.54Å; R45-V80 WeakPolarHBondContact O-CA 3.48Å; R45-L81 HydrophobicContact CB-CB 4.19Å; R45-L81 PolarHBondContact N-O 3.15Å; R45-L81 PolarHBondContact O-N 3.22Å; R45-T83 HydrophobicContact CG-CG2 4.43Å
46	V	93.4	Very high	91	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	132.4	-172.2	-178.2	0	0	0	0	110	V22 V30 V44 L51 I65 V67 V74 V80	V22-V46 HydrophobicContact CG2-CG1 3.99Å; V30-V46 HydrophobicContact CG1-CG1 4.04Å; V30-V46 HydrophobicContact CG2-CG1 4.36Å; V44-V46 HydrophobicContact CG2-CG2 3.95Å; V46-L51 PolarHBondContact N-O 3.23Å; V46-L51 WeakPolarHBondContact O-CB 3.38Å; V46-L51 PolarHBondContact O-N 3.41Å; V46-I65 HydrophobicContact CG2-CD1 4.36Å; V46-I65 HydrophobicContact CG2-CG2 3.98Å; V46-V67 HydrophobicContact CB-CG2 4.48Å; V46-V67 HydrophobicContact CG2-CG2 4.22Å; V46-V74 HydrophobicContact CG1-CG1 4.21Å; V46-V80 HydrophobicContact CG1-CG2 4.27Å; V46-V80 HydrophobicContact CG2-CG1 4.21Å; V46-V80 HydrophobicContact CG2-CG2 4.46Å
47	G	92.3	Very high	91.3	Very high	5 Å²	5	37.6 Å²	37.6	5%	0.052	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.6	170.8	175	0	0	0	0	0	113.4	D49 E50 P79	G47-D49 PolarHBondContact O-N 3.29Å; G47-E50 PolarHBondContact O-N 3.17Å; G47-E50 VanDerWaalsContact O-N 3.14Å; G47-P79 PolarHBondContact N-O 3.32Å
48	H	90.1	Very high	91.5	Very high	105 Å²	105	37.1 Å²	37.1	49%	0.486	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-25.6	172.4	-67.5	-66.3	0	0	0	113.2	E50 D78	H48-E50 PolarHBondContact O-N 2.91Å; H48-D78 IonicContact CD2-OD1 3.57Å; H48-D78 IonicContact NE2-OD1 3.59Å
49	D	89.4	Confident	91.6	Very high	82 Å²	82	41.6 Å²	41.6	44%	0.439	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-1.1	175.1	-67.8	-14.4	0	0	0	112.3	G47 L51 R121 G122	G47-D49 PolarHBondContact O-N 3.29Å; D49-L51 VanDerWaalsContact C-N 3.32Å; D49-L51 HydrophobicContact CB-CD2 3.87Å; D49-L51 HydrophobicContact CB-CG 4.25Å; D49-L51 PolarHBondContact O-N 3.05Å; D49-R121 IonicContact OD2-NH2 3.49Å; D49-R121 PolarHBondContact OD2-NH2 3.22Å; D49-G122 WeakPolarHBondContact O-CA 3.38Å
50	E	91.5	Very high	91.5	Very high	65 Å²	65	42.9 Å²	42.9	30%	0.304	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.3	43.1	-178.9	-63.3	-172.6	174.3	0	0	114.3	R45 G47 H48 V52	R45-E50 HydrophobicContact CB-CB 4.07Å; R45-E50 HydrophobicContact CB-CG 4.42Å; R45-E50 VanDerWaalsContact CD-O 3.32Å; R45-E50 WeakPolarHBondContact CD-O 3.44Å; R45-E50 HydrophobicContact CG-CB 4.5Å; R45-E50 PolarHBondContact NH1-O 3.42Å; G47-E50 PolarHBondContact O-N 3.17Å; G47-E50 VanDerWaalsContact O-N 3.14Å; H48-E50 PolarHBondContact O-N 2.91Å; E50-V52 PolarHBondContact O-N 3.22Å
51	L	92.9	Very high	91.6	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.01	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	134.9	179.6	-54.4	-178.6	0	0	0	110.5	R45 V46 D49 G53 V67 E69 E70 V74 R121	R45-L51 CarbonylContact C-O 3.45Å; R45-L51 WeakPolarHBondContact CA-O 3.33Å; V46-L51 PolarHBondContact N-O 3.23Å; V46-L51 WeakPolarHBondContact O-CB 3.38Å; V46-L51 PolarHBondContact O-N 3.41Å; D49-L51 VanDerWaalsContact C-N 3.32Å; D49-L51 HydrophobicContact CB-CD2 3.87Å; D49-L51 HydrophobicContact CB-CG 4.25Å; D49-L51 PolarHBondContact O-N 3.05Å; L51-G53 PolarHBondContact O-N 3.48Å; L51-V67 HydrophobicContact CB-CG1 3.85Å; L51-V67 HydrophobicContact CD1-CG1 4.26Å; L51-E69 HydrophobicContact CB-CB 4.37Å; L51-E69 HydrophobicContact CD2-CB 4.13Å; L51-E70 WeakPolarHBondContact CD1-O 3.33Å; L51-V74 HydrophobicContact CD1-CG2 3.63Å; L51-R121 HydrophobicContact CD2-CB 3.91Å
52	V	92.1	Very high	91.8	Very high	9 Å²	9	41.3 Å²	41.3	6%	0.055	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	126.7	179.7	-170.7	0	0	0	0	110.1	L43 E50 Y68 E69 I103	L43-V52 HydrophobicContact CD1-CG1 3.66Å; L43-V52 HydrophobicContact CD2-CG1 4.08Å; L43-V52 HydrophobicContact CG-CG1 3.89Å; E50-V52 PolarHBondContact O-N 3.22Å; V52-Y68 HydrophobicContact CB-CD2 4.48Å; V52-Y68 HydrophobicContact CG1-CD2 3.92Å; V52-Y68 PolarHBondContact O-N 2.87Å; V52-E69 PolarHBondContact N-OE1 2.94Å; V52-E69 VanDerWaalsContact N-OE1 3.09Å; V52-I103 HydrophobicContact CB-CD1 4.27Å; V52-I103 HydrophobicContact CG2-CD1 3.96Å
53	G	91.9	Very high	92	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	166.7	170.9	0	0	0	0	0	113.2	L43 V44 L51 Q66	L43-G53 CarbonylContact C-O 3.58Å; L43-G53 VanDerWaalsContact CA-O 3.32Å; L43-G53 WeakPolarHBondContact CA-O 3.32Å; V44-G53 PolarHBondContact N-O 2.62Å; V44-G53 PolarHBondContact O-N 2.7Å; L51-G53 PolarHBondContact O-N 3.48Å; G53-Q66 CarbonylContact C-O 3.59Å; G53-Q66 WeakPolarHBondContact CA-O 3.43Å
54	E	91.9	Very high	92	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	134.1	177	-172.9	-175.4	-127.7	0	0	110.1	E42 I56 I65 Q66 Y68 R213	E42-E54 WeakPolarHBondContact O-CA 3.49Å; E54-I56 PolarHBondContact O-N 3.4Å; E54-I65 CarbonylContact O-C 3.6Å; E54-I65 WeakPolarHBondContact O-CA 3.23Å; E54-Q66 PolarHBondContact N-O 3.26Å; E54-Q66 PolarHBondContact O-N 3.17Å; E54-Y68 HydrophobicContact CB-CE2 3.75Å; E54-Y68 WeakPolarHBondContact CB-OH 3.3Å; E54-Y68 PolarHBondContact OE2-OH 3.07Å; E54-R213 IonicContact OE1-CZ 3.93Å; E54-R213 IonicContact OE1-NE 3.34Å; E54-R213 PolarHBondContact OE1-NE 3.45Å; E54-R213 IonicContact OE1-NH2 3.45Å; E54-R213 IonicContact OE2-CZ 2.71Å; E54-R213 IonicContact OE2-NE 3.66Å; E54-R213 PolarHBondContact OE2-NE 3.45Å; E54-R213 IonicContact OE2-NH2 3.66Å; E54-R213 PolarHBondContact OE2-NH2 3.38Å
55	I	92.8	Very high	92	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	124	175.4	-62.5	177.9	0	0	0	109.5	M35 Y41 E42 V44 L58 A63 I65	M35-I55 HydrophobicContact CE-CD1 3.87Å; Y41-I55 WeakPolarHBondContact CA-O 3.18Å; Y41-I55 PolarHBondContact N-O 3.05Å; E42-I55 HydrophobicContact CB-CD1 4.2Å; E42-I55 PolarHBondContact O-N 3.35Å; V44-I55 HydrophobicContact CG1-CD1 3.81Å; V44-I55 HydrophobicContact CG1-CG1 3.86Å; I55-L58 HydrophobicContact CG2-CD1 4.46Å; I55-L58 HydrophobicContact CG2-CD2 3.79Å; I55-L58 HydrophobicContact CG2-CG 3.88Å; I55-A63 HydrophobicContact CD1-CB 4.35Å; I55-A63 HydrophobicContact CG1-CB 4.5Å; I55-A63 HydrophobicContact CG2-CB 4.23Å; I55-I65 HydrophobicContact CG1-CG1 4Å
56	I	90.2	Very high	91.9	Very high	30 Å²	30	38.1 Å²	38.1	15%	0.154	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	-20.4	-177.2	51.1	165.4	0	0	0	113.4	E54 T64 Q66 L366	E54-I56 PolarHBondContact O-N 3.4Å; I56-T64 HydrophobicContact CD1-CG2 4.09Å; I56-T64 HydrophobicContact CG1-CG2 4.09Å; I56-T64 VanDerWaalsContact CG1-O 3.24Å; I56-T64 WeakPolarHBondContact CG1-O 3.4Å; I56-T64 PolarHBondContact N-O 2.8Å; I56-Q66 HydrophobicContact CD1-CB 4.02Å; I56-Q66 HydrophobicContact CG1-CB 4.37Å; I56-Q66 HydrophobicContact CG2-CB 4.08Å; I56-L366 HydrophobicContact CD1-CD1 3.77Å; I56-L366 HydrophobicContact CD1-CD2 3.45Å; I56-L366 VanDerWaalsContact CD1-CD2 3.45Å; I56-L366 HydrophobicContact CD1-CG 4.07Å; I56-L366 HydrophobicContact CG1-CD2 4.48Å
57	R	90.4	Very high	91.9	Very high	97 Å²	97	38.1 Å²	38.1	37%	0.366	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	143.1	175.9	-169.7	175.1	63.6	-172.1	10.8	110.4	E59 A63 T64	R57-E59 VanDerWaalsContact CD-OE1 3.3Å; R57-E59 WeakPolarHBondContact CD-OE1 3.39Å; R57-E59 HydrophobicContact CG-CG 4.35Å; R57-E59 IonicContact CZ-OE1 2.7Å; R57-E59 IonicContact NE-OE1 2.71Å; R57-E59 PolarHBondContact NE-OE1 3.46Å; R57-E59 IonicContact NH1-OE1 3.96Å; R57-E59 IonicContact NH2-OE1 3.49Å; R57-A63 WeakPolarHBondContact O-CA 3.49Å; R57-T64 PolarHBondContact N-O 3.32Å; R57-T64 PolarHBondContact NE-OG1 2.9Å; R57-T64 PolarHBondContact NH2-OG1 3.13Å; R57-T64 PolarHBondContact O-N 2.94Å
58	L	91.6	Very high	91.7	Very high	68 Å²	68	38 Å²	38	36%	0.356	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	124.6	176.9	-70	167	0	0	0	108.7	S38 M40 I55 A63	S38-L58 WeakPolarHBondContact O-CD1 3.45Å; M40-L58 HydrophobicContact CB-CD1 4.36Å; I55-L58 HydrophobicContact CG2-CD1 4.46Å; I55-L58 HydrophobicContact CG2-CD2 3.79Å; I55-L58 HydrophobicContact CG2-CG 3.88Å; L58-A63 HydrophobicContact CD2-CB 3.67Å
59	E	91.2	Very high	91.6	Very high	108 Å²	108	33.6 Å²	33.6	51%	0.505	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	92.9	179	-74	177.5	-164.8	0	0	109.2	R57 D61 L62	R57-E59 VanDerWaalsContact CD-OE1 3.3Å; R57-E59 WeakPolarHBondContact CD-OE1 3.39Å; R57-E59 HydrophobicContact CG-CG 4.35Å; R57-E59 IonicContact CZ-OE1 2.7Å; R57-E59 IonicContact NE-OE1 2.71Å; R57-E59 PolarHBondContact NE-OE1 3.46Å; R57-E59 IonicContact NH1-OE1 3.96Å; R57-E59 IonicContact NH2-OE1 3.49Å; E59-D61 PolarHBondContact O-N 3.2Å; E59-D61 VanDerWaalsContact O-N 3.13Å; E59-L62 PolarHBondContact N-O 2.9Å; E59-L62 PolarHBondContact O-N 3.41Å
60	G	90.1	Very high	91.5	Very high	82 Å²	82	35.1 Å²	35.1	85%	0.845	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	63	-113.8	-174.9	0	0	0	0	0	111.4
61	D	92	Very high	91.4	Very high	72 Å²	72	32.9 Å²	32.9	39%	0.385	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96	-3	177.9	-170	43	0	0	0	113.4	S34 M35 A36 E59	S34-D61 VanDerWaalsContact CA-OD1 3.29Å; S34-D61 WeakPolarHBondContact CA-OD1 3.38Å; S34-D61 WeakPolarHBondContact CA-OD2 3.18Å; S34-D61 PolarHBondContact N-O 2.96Å; S34-D61 PolarHBondContact N-OD2 2.96Å; M35-D61 PolarHBondContact N-O 3.38Å; M35-D61 VanDerWaalsContact N-O 3.12Å; M35-D61 PolarHBondContact N-OD1 3.04Å; M35-D61 VanDerWaalsContact N-OD1 3.11Å; A36-D61 WeakPolarHBondContact CB-OD1 3.47Å; A36-D61 PolarHBondContact N-OD1 3.29Å; E59-D61 PolarHBondContact O-N 3.2Å; E59-D61 VanDerWaalsContact O-N 3.13Å
62	L	93.7	Very high	91.3	Very high	62 Å²	62	36.2 Å²	36.2	33%	0.325	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	134.8	175.9	-62.5	176.6	0	0	0	110.5	T31 A32 E59	T31-L62 HydrophobicContact CG2-CB 4.38Å; T31-L62 HydrophobicContact CG2-CD2 4.38Å; A32-L62 WeakPolarHBondContact O-CA 3.46Å; E59-L62 PolarHBondContact N-O 2.9Å; E59-L62 PolarHBondContact O-N 3.41Å
63	A	94.3	Very high	91.2	Very high	0 Å²	0	39 Å²	39	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	129.1	169.8	0	0	0	0	0	110.1	T31 A32 M35 I55 R57 L58	T31-A63 CarbonylContact C-O 3.55Å; T31-A63 WeakPolarHBondContact CA-O 3.29Å; A32-A63 PolarHBondContact N-O 2.95Å; A32-A63 PolarHBondContact O-N 3.11Å; M35-A63 HydrophobicContact CB-CB 3.67Å; M35-A63 HydrophobicContact CE-CB 4.3Å; M35-A63 HydrophobicContact CG-CB 3.81Å; I55-A63 HydrophobicContact CD1-CB 4.35Å; I55-A63 HydrophobicContact CG1-CB 4.5Å; I55-A63 HydrophobicContact CG2-CB 4.23Å; R57-A63 WeakPolarHBondContact O-CA 3.49Å; L58-A63 HydrophobicContact CD2-CB 3.67Å
64	T	93.7	Very high	91.2	Very high	8 Å²	8	40 Å²	40	5%	0.049	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	121.2	166.5	-53.9	0	0	0	0	108.2	V29 I56 R57 L366	V29-T64 HydrophobicContact CG1-CG2 3.33Å; I56-T64 HydrophobicContact CD1-CG2 4.09Å; I56-T64 HydrophobicContact CG1-CG2 4.09Å; I56-T64 VanDerWaalsContact CG1-O 3.24Å; I56-T64 WeakPolarHBondContact CG1-O 3.4Å; I56-T64 PolarHBondContact N-O 2.8Å; R57-T64 PolarHBondContact N-O 3.32Å; R57-T64 PolarHBondContact NE-OG1 2.9Å; R57-T64 PolarHBondContact NH2-OG1 3.13Å; R57-T64 PolarHBondContact O-N 2.94Å; T64-L366 HydrophobicContact CG2-CD2 3.94Å
65	I	93.6	Very high	91.3	Very high	0 Å²	0	44 Å²	44	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	133.2	-176.1	-59.7	155.1	0	0	0	108.5	V29 V30 A32 M35 V44 V46 E54 I55 V67 V80	V29-I65 WeakPolarHBondContact CA-O 3.48Å; V30-I65 HydrophobicContact CB-CB 4.5Å; V30-I65 PolarHBondContact N-O 2.81Å; V30-I65 WeakPolarHBondContact O-CA 3.38Å; V30-I65 WeakPolarHBondContact O-CB 3.38Å; V30-I65 PolarHBondContact O-N 3.4Å; A32-I65 HydrophobicContact CB-CD1 3.62Å; M35-I65 HydrophobicContact CE-CD1 4.37Å; V44-I65 HydrophobicContact CG2-CB 4.37Å; V44-I65 HydrophobicContact CG2-CD1 3.99Å; V44-I65 HydrophobicContact CG2-CG1 4.01Å; V44-I65 HydrophobicContact CG2-CG2 3.42Å; V44-I65 VanDerWaalsContact CG2-CG2 3.42Å; V46-I65 HydrophobicContact CG2-CD1 4.36Å; V46-I65 HydrophobicContact CG2-CG2 3.98Å; E54-I65 CarbonylContact O-C 3.6Å; E54-I65 WeakPolarHBondContact O-CA 3.23Å; I55-I65 HydrophobicContact CG1-CG1 4Å; I65-V67 HydrophobicContact CG2-CG2 4.35Å; I65-V80 HydrophobicContact CD1-CG1 3.79Å
66	Q	91.9	Very high	91.4	Very high	5 Å²	5	49 Å²	49	2%	0.023	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	120	169.2	-177.8	179.1	0	0	0	109.2	G53 E54 I56 A322	G53-Q66 CarbonylContact C-O 3.59Å; G53-Q66 WeakPolarHBondContact CA-O 3.43Å; E54-Q66 PolarHBondContact N-O 3.26Å; E54-Q66 PolarHBondContact O-N 3.17Å; I56-Q66 HydrophobicContact CD1-CB 4.02Å; I56-Q66 HydrophobicContact CG1-CB 4.37Å; I56-Q66 HydrophobicContact CG2-CB 4.08Å; Q66-A322 HydrophobicContact CG-CB 3.71Å
67	V	91.7	Very high	91.5	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	131.5	-178.8	-173.6	0	0	0	0	109.8	P28 V30 V46 L51 I65 E69 T71	P28-V67 PolarHBondContact O-N 3.05Å; V30-V67 HydrophobicContact CB-CG2 4.19Å; V30-V67 HydrophobicContact CG2-CG2 3.58Å; V46-V67 HydrophobicContact CB-CG2 4.48Å; V46-V67 HydrophobicContact CG2-CG2 4.22Å; L51-V67 HydrophobicContact CB-CG1 3.85Å; L51-V67 HydrophobicContact CD1-CG1 4.26Å; I65-V67 HydrophobicContact CG2-CG2 4.35Å; V67-E69 VanDerWaalsContact C-N 3.26Å; V67-E69 HydrophobicContact CG1-CB 4.36Å; V67-T71 HydrophobicContact CB-CG2 3.62Å; V67-T71 HydrophobicContact CG1-CG2 3.91Å; V67-T71 HydrophobicContact CG2-CG2 3.79Å
68	Y	88.6	Confident	91.7	Very high	4 Å²	4	45.5 Å²	45.5	2%	0.016	30%	0.295	C	S	.	.	S	Bend	trans	-83.8	0.1	179.1	-65.4	-60.7	0	0	0	113.7	V52 E54 L87 I103 P320 A322 A326	V52-Y68 HydrophobicContact CB-CD2 4.48Å; V52-Y68 HydrophobicContact CG1-CD2 3.92Å; V52-Y68 PolarHBondContact O-N 2.87Å; E54-Y68 HydrophobicContact CB-CE2 3.75Å; E54-Y68 WeakPolarHBondContact CB-OH 3.3Å; E54-Y68 PolarHBondContact OE2-OH 3.07Å; Y68-L87 HydrophobicContact CE2-CD2 4.24Å; Y68-I103 HydrophobicContact CD2-CG2 4.18Å; Y68-I103 HydrophobicContact CG-CG2 4.04Å; Y68-P320 WeakPolarHBondContact O-CB 3.26Å; Y68-P320 VanDerWaalsContact O-CG 3.26Å; Y68-P320 WeakPolarHBondContact O-CG 3.42Å; Y68-A322 VanDerWaalsContact CD1-C 3.42Å; Y68-A322 HydrophobicContact CD1-CB 3.3Å; Y68-A322 WeakPolarHBondContact CD1-O 3.25Å; Y68-A322 HydrophobicContact CE1-CB 3.68Å; Y68-A322 WeakPolarHBondContact CE1-O 3.21Å; Y68-A322 HydrophobicContact CG-CB 4.31Å; Y68-A326 HydrophobicContact CD1-CB 4.42Å; Y68-A326 HydrophobicContact CE1-CB 4.1Å
69	E	88	Confident	91.9	Very high	12 Å²	12	43.1 Å²	43.1	6%	0.056	28%	0.283	C	S	.	.	S	Bend	trans	-125.2	169.6	179.3	-66.4	-175.6	-97.4	0	0	110.2	L51 V52 V67 T71 R105 G122	L51-E69 HydrophobicContact CB-CB 4.37Å; L51-E69 HydrophobicContact CD2-CB 4.13Å; V52-E69 PolarHBondContact N-OE1 2.94Å; V52-E69 VanDerWaalsContact N-OE1 3.09Å; V67-E69 VanDerWaalsContact C-N 3.26Å; V67-E69 HydrophobicContact CG1-CB 4.36Å; E69-T71 PolarHBondContact O-N 3.42Å; E69-R105 IonicContact OE1-NH1 2.95Å; E69-R105 IonicContact OE2-NH1 3.27Å; E69-R105 PolarHBondContact OE2-NH1 3.43Å; E69-R105 VanDerWaalsContact OE2-NH1 3.15Å; E69-G122 PolarHBondContact OE2-N 3.34Å
70	E	87.3	Confident	92	Very high	113 Å²	113	38 Å²	38	53%	0.528	26%	0.259	S	S	.	.			trans	-69.1	125.7	175.6	-67.8	-174.5	172.8	0	0	111.2	L51 S72	L51-E70 WeakPolarHBondContact CD1-O 3.33Å; E70-S72 VanDerWaalsContact C-N 3.26Å; E70-S72 PolarHBondContact O-N 2.94Å
71	T	90.2	Very high	92.1	Very high	18 Å²	18	36 Å²	36	11%	0.11	23%	0.229	C	C	.	.			trans	-83.8	4.3	-178.8	55.3	0	0	0	0	113.8	G27 V30 V67 E69 G73 V74	G27-T71 WeakPolarHBondContact O-CB 3.42Å; G27-T71 WeakPolarHBondContact O-CG2 3.36Å; G27-T71 PolarHBondContact O-OG1 3.39Å; V30-T71 HydrophobicContact CG2-CG2 3.98Å; V67-T71 HydrophobicContact CB-CG2 3.62Å; V67-T71 HydrophobicContact CG1-CG2 3.91Å; V67-T71 HydrophobicContact CG2-CG2 3.79Å; E69-T71 PolarHBondContact O-N 3.42Å; T71-G73 PolarHBondContact O-N 3.01Å; T71-G73 VanDerWaalsContact O-N 3.16Å; T71-V74 WeakPolarHBondContact O-CB 3.32Å; T71-V74 WeakPolarHBondContact O-CG2 3.41Å; T71-V74 PolarHBondContact O-N 3.46Å
72	S	89.9	Confident	92.1	Very high	73 Å²	73	34.3 Å²	34.3	51%	0.51	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	119.3	-179.3	-61.8	0	0	0	0	111	E70 R121	E70-S72 VanDerWaalsContact C-N 3.26Å; E70-S72 PolarHBondContact O-N 2.94Å; S72-R121 VanDerWaalsContact O-CZ 3.27Å; S72-R121 PolarHBondContact O-NH1 3.37Å; S72-R121 PolarHBondContact O-NH2 2.81Å
73	G	89.9	Confident	91.8	Very high	67 Å²	67	34 Å²	34	69%	0.691	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	95	-4.6	-178.6	0	0	0	0	0	114.8	T71	T71-G73 PolarHBondContact O-N 3.01Å; T71-G73 VanDerWaalsContact O-N 3.16Å
74	V	92.6	Very high	91.5	Very high	20 Å²	20	36.9 Å²	36.9	12%	0.121	25%	0.248	C	C	.	.			trans	-68.5	128.3	164.6	179.4	0	0	0	0	108.7	V22 V25 V46 L51 T71 D78	V22-V74 HydrophobicContact CG1-CG1 4.3Å; V22-V74 HydrophobicContact CG2-CG1 4.06Å; V25-V74 HydrophobicContact CG2-CB 4.39Å; V25-V74 HydrophobicContact CG2-CG1 3.93Å; V46-V74 HydrophobicContact CG1-CG1 4.21Å; L51-V74 HydrophobicContact CD1-CG2 3.63Å; T71-V74 WeakPolarHBondContact O-CB 3.32Å; T71-V74 WeakPolarHBondContact O-CG2 3.41Å; T71-V74 PolarHBondContact O-N 3.46Å; V74-D78 WeakPolarHBondContact CA-OD2 3.2Å; V74-D78 HydrophobicContact CG1-CB 4.47Å
75	T	93.9	Very high	91.2	Very high	84 Å²	84	43.3 Å²	43.3	52%	0.515	28%	0.275	S	S	.	.			trans	-112.8	160.5	-179.1	54.5	0	0	0	0	113.1	G77 D78	T75-G77 PolarHBondContact O-N 2.9Å; T75-D78 PolarHBondContact N-OD2 2.92Å; T75-D78 VanDerWaalsContact O-CB 3.3Å; T75-D78 WeakPolarHBondContact O-CB 3.48Å; T75-D78 PolarHBondContact O-N 2.91Å; T75-D78 PolarHBondContact OG1-OD1 3.32Å
76	V	94.8	Very high	91.2	Very high	105 Å²	105	45.9 Å²	45.9	64%	0.636	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	132.7	173.2	178.2	0	0	0	0	108.7	V22	V22-V76 WeakPolarHBondContact O-CG1 3.37Å
77	G	92.6	Very high	91.2	Very high	45 Å²	45	46.1 Å²	46.1	46%	0.464	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.5	-8	-174.3	0	0	0	0	0	114.4	V22 T75	V22-G77 PolarHBondContact O-N 3.49Å; T75-G77 PolarHBondContact O-N 2.9Å
78	D	94.4	Very high	91.3	Very high	10 Å²	10	47.8 Å²	47.8	5%	0.053	31%	0.305	C	S	.	.			trans	-60.4	144.8	173.4	-74	11.6	0	0	0	110.9	Y21 V22 H48 V74 T75	Y21-D78 CarbonylContact C-O 3.56Å; Y21-D78 WeakPolarHBondContact CA-O 3.47Å; V22-D78 HydrophobicContact CB-CB 4.27Å; V22-D78 HydrophobicContact CG2-CB 3.92Å; V22-D78 WeakPolarHBondContact CG2-O 3.47Å; V22-D78 PolarHBondContact N-O 3.23Å; H48-D78 IonicContact CD2-OD1 3.57Å; H48-D78 IonicContact NE2-OD1 3.59Å; V74-D78 WeakPolarHBondContact CA-OD2 3.2Å; V74-D78 HydrophobicContact CG1-CB 4.47Å; T75-D78 PolarHBondContact N-OD2 2.92Å; T75-D78 VanDerWaalsContact O-CB 3.3Å; T75-D78 WeakPolarHBondContact O-CB 3.48Å; T75-D78 PolarHBondContact O-N 2.91Å; T75-D78 PolarHBondContact OG1-OD1 3.32Å
79	P	94.7	Very high	91.6	Very high	17 Å²	17	47.7 Å²	47.7	11%	0.11	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	148.4	-179.9	29.5	-34.4	0	0	0	111.8	L8 Y19 G47	L8-P79 HydrophobicContact CD1-CG 4.28Å; L8-P79 HydrophobicContact CD2-CG 3.97Å; Y19-P79 HydrophobicContact CD1-CB 4.23Å; G47-P79 PolarHBondContact N-O 3.32Å
80	V	94.8	Very high	92	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	109.1	170.7	-178.7	0	0	0	0	109	Y19 G20 V22 A32 M35 V44 R45 V46 I65	Y19-V80 CarbonylContact C-O 3.58Å; Y19-V80 WeakPolarHBondContact CA-O 3.38Å; G20-V80 PolarHBondContact N-O 2.72Å; G20-V80 PolarHBondContact O-N 3.23Å; V22-V80 HydrophobicContact CG2-CG2 3.66Å; A32-V80 HydrophobicContact CB-CB 4.34Å; A32-V80 HydrophobicContact CB-CG2 3.87Å; M35-V80 HydrophobicContact CE-CG1 3.96Å; M35-V80 HydrophobicContact SD-CB 4.34Å; M35-V80 HydrophobicContact SD-CG1 4.13Å; V44-V80 HydrophobicContact CB-CG1 3.97Å; V44-V80 HydrophobicContact CG1-CG1 4.42Å; V44-V80 HydrophobicContact CG2-CG1 4.26Å; R45-V80 CarbonylContact O-C 3.54Å; R45-V80 WeakPolarHBondContact O-CA 3.48Å; V46-V80 HydrophobicContact CG1-CG2 4.27Å; V46-V80 HydrophobicContact CG2-CG1 4.21Å; V46-V80 HydrophobicContact CG2-CG2 4.46Å; I65-V80 HydrophobicContact CD1-CG1 3.79Å
81	L	92.6	Very high	92.4	Very high	41 Å²	41	43.8 Å²	43.8	22%	0.215	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	130.2	179	173.2	69.1	0	0	0	110.7	H18 Y19 V44 R45	H18-L81 HydrophobicContact CB-CD1 4.29Å; Y19-L81 HydrophobicContact CD1-CB 4.16Å; Y19-L81 HydrophobicContact CD1-CD1 4.25Å; Y19-L81 HydrophobicContact CE1-CB 3.88Å; Y19-L81 HydrophobicContact CE1-CD1 3.77Å; Y19-L81 HydrophobicContact CE1-CG 4.34Å; Y19-L81 HydrophobicContact CE2-CD1 4.28Å; V44-L81 CarbonylContact C-O 3.6Å; V44-L81 VanDerWaalsContact CA-O 3.3Å; V44-L81 WeakPolarHBondContact CA-O 3.42Å; R45-L81 HydrophobicContact CB-CB 4.19Å; R45-L81 PolarHBondContact N-O 3.15Å; R45-L81 PolarHBondContact O-N 3.22Å
82	R	91.2	Very high	92.7	Very high	37 Å²	37	43 Å²	43	14%	0.14	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	133.5	177	-63.3	-172.9	-61.3	172.3	-2.7	111.7	S17 H18 M35 A36 S38 E42 V44	S17-R82 PolarHBondContact O-NH2 3.32Å; H18-R82 WeakPolarHBondContact O-CB 3.35Å; H18-R82 WeakPolarHBondContact O-CG 3.49Å; H18-R82 PolarHBondContact O-N 3.46Å; H18-R82 PolarHBondContact O-NE 3.5Å; M35-R82 HydrophobicContact CE-CG 3.77Å; M35-R82 HydrophobicContact SD-CG 4.33Å; A36-R82 PolarHBondContact O-NH1 3.48Å; A36-R82 PolarHBondContact O-NH2 2.65Å; S38-R82 VanDerWaalsContact N-NH1 3.11Å; S38-R82 WeakPolarHBondContact OG-CD 3.35Å; S38-R82 PolarHBondContact OG-NH1 3Å; S38-R82 VanDerWaalsContact OG-NH1 3.15Å; E42-R82 WeakPolarHBondContact OE1-CB 3.31Å; V44-R82 HydrophobicContact CG1-CG 4.44Å
83	T	87.6	Confident	92.9	Very high	54 Å²	54	39.5 Å²	39.5	33%	0.331	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	-17	179.2	72.1	0	0	0	0	113.7	E42 L43 R45 K85	E42-T83 PolarHBondContact OE1-N 2.74Å; L43-T83 HydrophobicContact CD2-CG2 3.66Å; L43-T83 WeakPolarHBondContact O-CB 3.41Å; L43-T83 WeakPolarHBondContact O-CG2 3.37Å; L43-T83 PolarHBondContact O-N 3.37Å; L43-T83 PolarHBondContact O-OG1 3.29Å; R45-T83 HydrophobicContact CG-CG2 4.43Å; T83-K85 PolarHBondContact O-N 2.91Å; T83-K85 PolarHBondContact OG1-N 3.45Å; T83-K85 PolarHBondContact OG1-O 3.05Å
84	G	87.6	Confident	93.1	Very high	62 Å²	62	37.1 Å²	37.1	64%	0.639	23%	0.233	S	C	*	.	E	Extended strand (participates in β ladder)	trans	69.7	6.5	-176	0	0	0	0	0	114.6	E42	E42-G84 VanDerWaalsContact OE1-CA 3.26Å; E42-G84 WeakPolarHBondContact OE1-CA 3.29Å; E42-G84 PolarHBondContact OE1-N 3.28Å
85	K	88.3	Confident	93.2	Very high	143 Å²	143	36.1 Å²	36.1	62%	0.622	23%	0.227	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-129.6	145.7	-175	-63.9	178.6	-173.9	174.9	0	110.5	L43 T83	L43-K85 WeakPolarHBondContact CB-O 3.47Å; L43-K85 PolarHBondContact N-O 3.12Å; T83-K85 PolarHBondContact O-N 2.91Å; T83-K85 PolarHBondContact OG1-N 3.45Å; T83-K85 PolarHBondContact OG1-O 3.05Å
86	P	92.5	Very high	93.1	Very high	53 Å²	53	32.5 Å²	32.5	34%	0.344	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	166.2	172.4	32.4	-36.3	0	0	0	111.2	Y41 S88 P211	Y41-P86 VanDerWaalsContact O-CA 3.31Å; Y41-P86 WeakPolarHBondContact O-CA 3.47Å; P86-S88 PolarHBondContact O-N 3.44Å; P86-S88 PolarHBondContact O-OG 3.15Å; P86-P211 HydrophobicContact CG-CB 3.86Å; P86-P211 HydrophobicContact CG-CG 3.92Å
87	L	91.6	Very high	92.9	Very high	10 Å²	10	32.3 Å²	32.3	5%	0.052	20%	0.2	C	C	.	.	S	Bend	trans	-52.7	117.1	169.9	179.8	64.7	0	0	0	109.8	L43 Y68 P211 V212 A326	L43-L87 HydrophobicContact CD1-CB 4.28Å; L43-L87 HydrophobicContact CD1-CD1 3.64Å; Y68-L87 HydrophobicContact CE2-CD2 4.24Å; L87-P211 WeakPolarHBondContact O-CA 3.16Å; L87-V212 HydrophobicContact CB-CG2 4.18Å; L87-V212 HydrophobicContact CD2-CG2 3.72Å; L87-V212 HydrophobicContact CG-CG2 3.8Å; L87-V212 PolarHBondContact O-N 3.19Å; L87-A326 HydrophobicContact CD2-CB 3.88Å
88	S	93.6	Very high	92.9	Very high	36 Å²	36	31.7 Å²	31.7	25%	0.252	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	150.1	-172.8	-56.6	0	0	0	0	110	P86 V209 W210	P86-S88 PolarHBondContact O-N 3.44Å; P86-S88 PolarHBondContact O-OG 3.15Å; S88-V209 VanDerWaalsContact CB-CG1 3.44Å; S88-W210 CarbonylContact C-O 3.58Å; S88-W210 VanDerWaalsContact CA-O 3.23Å; S88-W210 WeakPolarHBondContact CA-O 3.33Å; S88-W210 WeakPolarHBondContact CB-O 3.46Å
89	V	95.8	Very high	92.9	Very high	2 Å²	2	33 Å²	33	1%	0.012	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	147.1	179.1	-71.6	0	0	0	0	110.7	L91 Q104 V209 W210 V212 T330 T333	V89-L91 HydrophobicContact CG2-CD2 3.91Å; V89-L91 HydrophobicContact CG2-CG 4.33Å; V89-Q104 HydrophobicContact CG1-CB 4.11Å; V89-Q104 HydrophobicContact CG1-CG 4.3Å; V89-V209 WeakPolarHBondContact O-CA 3.36Å; V89-W210 PolarHBondContact N-O 2.88Å; V89-W210 PolarHBondContact O-N 3.09Å; V89-V212 HydrophobicContact CB-CG1 4.12Å; V89-V212 HydrophobicContact CG1-CG1 3.32Å; V89-V212 HydrophobicContact CG2-CG1 3.89Å; V89-T330 HydrophobicContact CG1-CG2 3.89Å; V89-T333 HydrophobicContact CG2-CG2 3.54Å
90	E	96.3	Very high	92.9	Very high	43 Å²	43	32.2 Å²	32.2	20%	0.201	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	125.5	171.3	-65.9	-171.5	167.1	0	0	109.6	Q104 A127 L128 R130 L207	E90-Q104 PolarHBondContact O-NE2 3.4Å; E90-A127 HydrophobicContact CB-CB 3.98Å; E90-A127 HydrophobicContact CG-CB 4.12Å; E90-A127 WeakPolarHBondContact OE2-CB 3.49Å; E90-A127 PolarHBondContact OE2-N 2.96Å; E90-L128 HydrophobicContact CB-CD1 4.47Å; E90-L128 HydrophobicContact CB-CG 4.36Å; E90-L128 PolarHBondContact OE2-N 3.29Å; E90-R130 IonicContact OE1-CZ 3.71Å; E90-R130 IonicContact OE1-NH2 3.46Å; E90-R130 PolarHBondContact OE1-NH2 2.86Å; E90-R130 IonicContact OE2-CZ 3.9Å; E90-R130 IonicContact OE2-NH2 3.15Å; E90-R130 PolarHBondContact OE2-NH2 3.42Å; E90-L207 HydrophobicContact CB-CD1 3.85Å; E90-L207 HydrophobicContact CG-CD1 4.24Å; E90-L207 HydrophobicContact CG-CD2 4.43Å
91	L	96.4	Very high	92.8	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	126.3	179.3	-52.2	172.4	0	0	0	109.2	V89 Q208 W210 L334 Y337	V89-L91 HydrophobicContact CG2-CD2 3.91Å; V89-L91 HydrophobicContact CG2-CG 4.33Å; L91-Q208 HydrophobicContact CB-CG 3.57Å; L91-Q208 HydrophobicContact CD1-CG 4.08Å; L91-Q208 HydrophobicContact CG-CG 4.3Å; L91-Q208 PolarHBondContact N-O 3.25Å; L91-Q208 PolarHBondContact O-N 3.11Å; L91-W210 HydrophobicContact CD1-CB 3.67Å; L91-W210 HydrophobicContact CD1-CG 4.48Å; L91-L334 HydrophobicContact CD2-CD2 3.7Å; L91-Y337 HydrophobicContact CB-CD1 3.8Å; L91-Y337 HydrophobicContact CB-CD2 4.14Å; L91-Y337 HydrophobicContact CB-CE1 3.77Å; L91-Y337 HydrophobicContact CB-CE2 4.19Å; L91-Y337 HydrophobicContact CB-CG 3.95Å; L91-Y337 HydrophobicContact CD1-CD2 4.02Å; L91-Y337 HydrophobicContact CD1-CG 3.92Å; L91-Y337 HydrophobicContact CD2-CD1 3.96Å; L91-Y337 HydrophobicContact CD2-CG 3.99Å; L91-Y337 HydrophobicContact CG-CD1 4.32Å; L91-Y337 HydrophobicContact CG-CG 4.18Å
92	G	94.6	Very high	92.7	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	18%	0.179	C	C	.	.	S	Bend	trans	167.6	-173.7	-179.7	0	0	0	0	0	111.6	I95 H165	G92-I95 WeakPolarHBondContact O-CD1 3.46Å; G92-I95 VanDerWaalsContact O-CG1 3.28Å; G92-I95 WeakPolarHBondContact O-CG1 3.44Å; G92-H165 PolarHBondContact O-CE1 2.89Å
93	P	94.8	Very high	92.7	Very high	0 Å²	0	30 Å²	30	0%	0	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	140.7	174.5	-23.2	33.1	0	0	0	112.5	W134 V157 I167 L188	P93-W134 HydrophobicContact CB-CD2 3.93Å; P93-W134 HydrophobicContact CB-CG 4.11Å; P93-W134 HydrophobicContact CB-CZ2 4.34Å; P93-V157 HydrophobicContact CB-CG1 4.11Å; P93-V157 HydrophobicContact CG-CB 4.1Å; P93-V157 HydrophobicContact CG-CG1 3.97Å; P93-V157 HydrophobicContact CG-CG2 4.19Å; P93-I167 HydrophobicContact CG-CD1 3.67Å; P93-L188 HydrophobicContact CB-CD2 4.23Å; P93-L188 HydrophobicContact CG-CD2 4.22Å
94	G	93.5	Very high	93	Very high	17 Å²	17	27.7 Å²	27.7	18%	0.175	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	104.8	10.3	-177.1	0	0	0	0	0	114.9	N98 E159	G94-N98 PolarHBondContact O-ND2 3.23Å; G94-E159 WeakPolarHBondContact CA-OE1 3.49Å; G94-E159 PolarHBondContact N-OE1 3.22Å
95	I	95.1	Very high	93.3	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.138	C	C	.	.			trans	-86.6	-46.6	-179.3	-69.3	168	0	0	0	111.4	G92 N98 F100 L128 E159 A311 L334 Y337 F338	G92-I95 WeakPolarHBondContact O-CD1 3.46Å; G92-I95 VanDerWaalsContact O-CG1 3.28Å; G92-I95 WeakPolarHBondContact O-CG1 3.44Å; I95-N98 WeakPolarHBondContact O-CB 3.24Å; I95-N98 PolarHBondContact O-N 3.26Å; I95-F100 HydrophobicContact CG2-CE2 4.21Å; I95-L128 HydrophobicContact CG1-CD1 4.21Å; I95-L128 HydrophobicContact CG1-CD2 3.74Å; I95-E159 PolarHBondContact N-OE1 3.32Å; I95-A311 HydrophobicContact CG2-CB 3.96Å; I95-L334 HydrophobicContact CD1-CD2 4.13Å; I95-L334 HydrophobicContact CG2-CD2 4.22Å; I95-Y337 HydrophobicContact CD1-CD1 3.99Å; I95-Y337 HydrophobicContact CD1-CE1 3.91Å; I95-F338 HydrophobicContact CB-CE2 4.34Å; I95-F338 HydrophobicContact CB-CZ 4.04Å; I95-F338 HydrophobicContact CG2-CE2 3.68Å; I95-F338 HydrophobicContact CG2-CZ 3.88Å
96	V	92.3	Very high	93.7	Very high	7 Å²	7	19.7 Å²	19.7	4%	0.042	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	155	177.8	-54.7	0	0	0	0	108.9	N98 E159 N160 I272 Q308 F338	V96-N98 PolarHBondContact O-N 3.26Å; V96-N98 VanDerWaalsContact O-N 3.15Å; V96-E159 VanDerWaalsContact CG2-CD 3.45Å; V96-E159 HydrophobicContact CG2-CG 4.01Å; V96-E159 WeakPolarHBondContact CG2-OE1 3.49Å; V96-E159 PolarHBondContact N-OE1 2.93Å; V96-N160 WeakPolarHBondContact CG2-ND2 3.33Å; V96-I272 HydrophobicContact CG1-CD1 4.33Å; V96-Q308 WeakPolarHBondContact CB-O 3.31Å; V96-Q308 WeakPolarHBondContact CG2-O 3.45Å; V96-F338 HydrophobicContact CG1-CE1 3.96Å; V96-F338 HydrophobicContact CG1-CE2 4.26Å; V96-F338 HydrophobicContact CG1-CZ 3.52Å
97	N	91.2	Very high	93.7	Very high	101 Å²	101	19 Å²	19	54%	0.54	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	64	8.8	-172.6	-166.6	41.1	0	0	0	114.5	M307 T310	N97-M307 VanDerWaalsContact CA-O 3.22Å; N97-M307 WeakPolarHBondContact CA-O 3.12Å; N97-M307 PolarHBondContact N-O 2.98Å; N97-T310 PolarHBondContact N-O 3.1Å
98	N	92.8	Very high	93.7	Very high	33 Å²	33	25.4 Å²	25.4	18%	0.176	13%	0.132	C	C	.	.			trans	-111.9	155.3	179.3	-152.1	-13.3	0	0	0	111.7	G94 I95 V96 F100 L312	G94-N98 PolarHBondContact O-ND2 3.23Å; I95-N98 WeakPolarHBondContact O-CB 3.24Å; I95-N98 PolarHBondContact O-N 3.26Å; V96-N98 PolarHBondContact O-N 3.26Å; V96-N98 VanDerWaalsContact O-N 3.15Å; N98-F100 HydrophobicContact CB-CE1 4.43Å; N98-F100 HydrophobicContact CB-CE2 3.9Å; N98-F100 HydrophobicContact CB-CZ 3.74Å; N98-L312 PolarHBondContact O-N 3.41Å
99	I	93.8	Very high	93.6	Very high	37 Å²	37	24.8 Å²	24.8	19%	0.19	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	116.1	-177.3	-54.2	152.3	0	0	0	107.9	P106 L107 L289 L312 A314	I99-P106 CarbonylContact O-C 3.49Å; I99-P106 WeakPolarHBondContact O-CA 3.26Å; I99-L107 HydrophobicContact CG2-CB 4.45Å; I99-L107 HydrophobicContact CG2-CD1 3.81Å; I99-L107 HydrophobicContact CG2-CG 4.29Å; I99-L107 PolarHBondContact O-N 3.4Å; I99-L289 HydrophobicContact CD1-CD2 3.49Å; I99-L289 VanDerWaalsContact CD1-CD2 3.49Å; I99-L289 HydrophobicContact CG1-CD2 3.79Å; I99-L289 HydrophobicContact CG2-CD2 3.97Å; I99-L312 WeakPolarHBondContact CA-O 3.25Å; I99-L312 HydrophobicContact CG1-CB 4.25Å; I99-L312 HydrophobicContact CG1-CD1 4.2Å; I99-L312 HydrophobicContact CG2-CB 4.23Å; I99-A314 HydrophobicContact CG2-CB 4.3Å
100	F	95.1	Very high	93.4	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	155.4	-177	-60.7	-70.2	0	0	0	111.8	I95 N98 Q104 R105 P106 A127 L128 L312 V313 A314	I95-F100 HydrophobicContact CG2-CE2 4.21Å; N98-F100 HydrophobicContact CB-CE1 4.43Å; N98-F100 HydrophobicContact CB-CE2 3.9Å; N98-F100 HydrophobicContact CB-CZ 3.74Å; F100-Q104 HydrophobicContact CB-CG 4.47Å; F100-Q104 HydrophobicContact CD1-CG 3.85Å; F100-Q104 HydrophobicContact CE1-CG 4.23Å; F100-Q104 HydrophobicContact CG-CG 4.05Å; F100-R105 CarbonylContact C-O 3.48Å; F100-R105 WeakPolarHBondContact CA-O 3.33Å; F100-P106 HydrophobicContact CD1-CB 4.49Å; F100-P106 HydrophobicContact CE1-CB 4.44Å; F100-A127 WeakPolarHBondContact CE1-O 3.42Å; F100-L128 HydrophobicContact CE1-CD2 4.38Å; F100-L128 HydrophobicContact CZ-CD2 4Å; F100-L312 PolarHBondContact N-O 3.46Å; F100-V313 CarbonylContact O-C 3.54Å; F100-V313 WeakPolarHBondContact O-CA 3.16Å; F100-A314 PolarHBondContact O-N 3.35Å
101	D	93	Very high	93.2	Very high	4 Å²	4	25.7 Å²	25.7	2%	0.021	14%	0.142	C	C	.	.			trans	-83.6	-177.4	162	76	-0.5	0	0	0	111.9	I103 Q104 R105 L107 A314	D101-I103 PolarHBondContact O-N 2.85Å; D101-I103 VanDerWaalsContact O-N 3.14Å; D101-I103 WeakPolarHBondContact OD1-CG1 3.1Å; D101-I103 PolarHBondContact OD1-N 3.1Å; D101-I103 VanDerWaalsContact OD1-N 3.09Å; D101-Q104 PolarHBondContact O-N 3.43Å; D101-Q104 PolarHBondContact OD1-N 3.2Å; D101-Q104 VanDerWaalsContact OD1-N 3.09Å; D101-R105 PolarHBondContact N-O 3.49Å; D101-R105 PolarHBondContact OD1-N 3.46Å; D101-R105 IonicContact OD1-NE 2.64Å; D101-R105 IonicContact OD2-CZ 2.64Å; D101-R105 IonicContact OD2-NE 2.72Å; D101-R105 PolarHBondContact OD2-NE 2.91Å; D101-R105 IonicContact OD2-NH2 3.49Å; D101-R105 PolarHBondContact OD2-NH2 3.08Å; D101-L107 HydrophobicContact CB-CD2 4.02Å; D101-A314 WeakPolarHBondContact CA-O 3.18Å
102	G	90.3	Very high	93	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.01	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-22.5	-177.6	0	0	0	0	0	115.6	A326 S327 T330	G102-A326 CarbonylContact O-C 3.55Å; G102-A326 WeakPolarHBondContact O-CB 3.32Å; G102-S327 PolarHBondContact O-N 2.86Å; G102-T330 PolarHBondContact O-OG1 3.19Å
103	I	90.6	Very high	92.8	Very high	27 Å²	27	36.3 Å²	36.3	14%	0.138	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.4	20.7	177.9	59.1	165.6	0	0	0	112.5	V52 Y68 D101 R105 A326	V52-I103 HydrophobicContact CB-CD1 4.27Å; V52-I103 HydrophobicContact CG2-CD1 3.96Å; Y68-I103 HydrophobicContact CD2-CG2 4.18Å; Y68-I103 HydrophobicContact CG-CG2 4.04Å; D101-I103 PolarHBondContact O-N 2.85Å; D101-I103 VanDerWaalsContact O-N 3.14Å; D101-I103 WeakPolarHBondContact OD1-CG1 3.1Å; D101-I103 PolarHBondContact OD1-N 3.1Å; D101-I103 VanDerWaalsContact OD1-N 3.09Å; I103-R105 HydrophobicContact CD1-CG 4.32Å; I103-R105 HydrophobicContact CG1-CG 4.17Å; I103-A326 HydrophobicContact CG2-CB 4.23Å
104	Q	94.7	Very high	92.7	Very high	5 Å²	5	38.4 Å²	38.4	2%	0.023	21%	0.211	C	C	.	.	S	Bend	trans	68.8	28.7	174.6	-149.9	-160.7	11.1	0	0	116.2	V89 E90 F100 D101 A127 T330	V89-Q104 HydrophobicContact CG1-CB 4.11Å; V89-Q104 HydrophobicContact CG1-CG 4.3Å; E90-Q104 PolarHBondContact O-NE2 3.4Å; F100-Q104 HydrophobicContact CB-CG 4.47Å; F100-Q104 HydrophobicContact CD1-CG 3.85Å; F100-Q104 HydrophobicContact CE1-CG 4.23Å; F100-Q104 HydrophobicContact CG-CG 4.05Å; D101-Q104 PolarHBondContact O-N 3.43Å; D101-Q104 PolarHBondContact OD1-N 3.2Å; D101-Q104 VanDerWaalsContact OD1-N 3.09Å; Q104-A127 HydrophobicContact CG-CB 4.09Å; Q104-A127 WeakPolarHBondContact O-CA 3.4Å; Q104-A127 WeakPolarHBondContact O-CB 3.3Å; Q104-T330 HydrophobicContact CB-CG2 4.14Å; Q104-T330 HydrophobicContact CG-CG2 4.24Å
105	R	93.9	Very high	92.6	Very high	27 Å²	27	43 Å²	43	10%	0.102	24%	0.241	C	C	.	.			trans	-87	135.2	170.2	-57.9	179.2	-64	-166.5	-4.7	110.7	E69 F100 D101 I103 L107 I110 V123	E69-R105 IonicContact OE1-NH1 2.95Å; E69-R105 IonicContact OE2-NH1 3.27Å; E69-R105 PolarHBondContact OE2-NH1 3.43Å; E69-R105 VanDerWaalsContact OE2-NH1 3.15Å; F100-R105 CarbonylContact C-O 3.48Å; F100-R105 WeakPolarHBondContact CA-O 3.33Å; D101-R105 PolarHBondContact N-O 3.49Å; D101-R105 PolarHBondContact OD1-N 3.46Å; D101-R105 IonicContact OD1-NE 2.64Å; D101-R105 IonicContact OD2-CZ 2.64Å; D101-R105 IonicContact OD2-NE 2.72Å; D101-R105 PolarHBondContact OD2-NE 2.91Å; D101-R105 IonicContact OD2-NH2 3.49Å; D101-R105 PolarHBondContact OD2-NH2 3.08Å; I103-R105 HydrophobicContact CD1-CG 4.32Å; I103-R105 HydrophobicContact CG1-CG 4.17Å; R105-L107 PolarHBondContact O-N 3.39Å; R105-I110 HydrophobicContact CB-CD1 3.84Å; R105-V123 WeakPolarHBondContact CD-O 3.44Å; R105-V123 PolarHBondContact NH1-O 2.88Å
106	P	95	Very high	92.4	Very high	10 Å²	10	45.1 Å²	45.1	7%	0.065	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-75.3	116.8	-176.8	29.7	-34.1	0	0	0	110.5	I99 F100 K108 G109 I110 V125 P126	I99-P106 CarbonylContact O-C 3.49Å; I99-P106 WeakPolarHBondContact O-CA 3.26Å; F100-P106 HydrophobicContact CD1-CB 4.49Å; F100-P106 HydrophobicContact CE1-CB 4.44Å; P106-K108 VanDerWaalsContact C-N 3.29Å; P106-K108 PolarHBondContact O-N 3.08Å; P106-G109 PolarHBondContact O-N 2.83Å; P106-G109 VanDerWaalsContact O-N 3.1Å; P106-I110 WeakPolarHBondContact O-CG1 3.29Å; P106-I110 PolarHBondContact O-N 2.7Å; P106-V125 HydrophobicContact CG-CG1 4Å; P106-P126 WeakPolarHBondContact CD-O 3.49Å; P106-P126 WeakPolarHBondContact CG-O 3.39Å
107	L	92.9	Very high	92.4	Very high	39 Å²	39	52 Å²	52	20%	0.204	29%	0.29	C	S	.	.	H	α-helix	trans	-60.5	-39.1	-176.3	-68.9	-173.3	0	0	0	112.4	I99 D101 R105 I110 C111 I119 A314	I99-L107 HydrophobicContact CG2-CB 4.45Å; I99-L107 HydrophobicContact CG2-CD1 3.81Å; I99-L107 HydrophobicContact CG2-CG 4.29Å; I99-L107 PolarHBondContact O-N 3.4Å; D101-L107 HydrophobicContact CB-CD2 4.02Å; R105-L107 PolarHBondContact O-N 3.39Å; L107-I110 PolarHBondContact O-N 2.89Å; L107-C111 WeakPolarHBondContact O-CB 3.34Å; L107-C111 PolarHBondContact O-N 2.94Å; L107-I119 HydrophobicContact CD2-CD1 3.81Å; L107-A314 HydrophobicContact CD1-CB 4.06Å
108	K	91.8	Very high	92.3	Very high	144 Å²	144	55.5 Å²	55.5	63%	0.626	30%	0.297	S	S	*	.	H	α-helix	trans	-64.3	-44.9	175.2	-174.3	176.6	178.1	-177.4	0	111.5	P106 I110 C111 D112	P106-K108 VanDerWaalsContact C-N 3.29Å; P106-K108 PolarHBondContact O-N 3.08Å; K108-I110 VanDerWaalsContact C-N 3.32Å; K108-I110 PolarHBondContact O-N 3.33Å; K108-C111 WeakPolarHBondContact O-CB 3.5Å; K108-C111 PolarHBondContact O-N 3.13Å; K108-D112 WeakPolarHBondContact O-CB 3.39Å; K108-D112 VanDerWaalsContact O-CG 3.25Å; K108-D112 PolarHBondContact O-N 3.11Å
109	G	90.9	Very high	92.2	Very high	24 Å²	24	57.2 Å²	57.2	25%	0.247	31%	0.306	C	S	.	.	H	α-helix	trans	-62.5	-36.2	177.7	0	0	0	0	0	113.2	P106 L113	P106-G109 PolarHBondContact O-N 2.83Å; P106-G109 VanDerWaalsContact O-N 3.1Å; G109-L113 VanDerWaalsContact O-CB 3.25Å; G109-L113 WeakPolarHBondContact O-CB 3.12Å; G109-L113 PolarHBondContact O-N 3.08Å
110	I	92.8	Very high	92	Very high	3 Å²	3	58 Å²	58	2%	0.015	31%	0.313	C	S	.	.	H	α-helix	trans	-65.7	-46.9	173.1	-63.4	169.6	0	0	0	110.8	R105 P106 L107 K108 L113 T114 I119 V123 V125	R105-I110 HydrophobicContact CB-CD1 3.84Å; P106-I110 WeakPolarHBondContact O-CG1 3.29Å; P106-I110 PolarHBondContact O-N 2.7Å; L107-I110 PolarHBondContact O-N 2.89Å; K108-I110 VanDerWaalsContact C-N 3.32Å; K108-I110 PolarHBondContact O-N 3.33Å; I110-L113 PolarHBondContact O-N 2.7Å; I110-T114 HydrophobicContact CG2-CG2 4.26Å; I110-T114 WeakPolarHBondContact O-CB 3.42Å; I110-T114 VanDerWaalsContact O-CG2 3.3Å; I110-T114 WeakPolarHBondContact O-CG2 3.37Å; I110-T114 PolarHBondContact O-N 3.36Å; I110-T114 PolarHBondContact O-OG1 3.21Å; I110-I119 HydrophobicContact CD1-CG2 4.26Å; I110-I119 HydrophobicContact CG2-CG1 4.49Å; I110-I119 HydrophobicContact CG2-CG2 4.36Å; I110-V123 HydrophobicContact CD1-CG1 4.17Å; I110-V123 HydrophobicContact CG1-CG1 4.33Å; I110-V123 HydrophobicContact CG2-CG1 4.31Å; I110-V125 HydrophobicContact CG1-CG2 3.96Å
111	C	92.7	Very high	91.7	Very high	61 Å²	61	62.9 Å²	62.9	41%	0.412	33%	0.331	S	S	.	.	H	α-helix	trans	-59.7	-47.5	179.3	-172.1	0	0	0	0	111.2	L107 K108 L113 T114 S115	L107-C111 WeakPolarHBondContact O-CB 3.34Å; L107-C111 PolarHBondContact O-N 2.94Å; K108-C111 WeakPolarHBondContact O-CB 3.5Å; K108-C111 PolarHBondContact O-N 3.13Å; C111-L113 PolarHBondContact O-N 3.24Å; C111-T114 PolarHBondContact O-N 2.98Å; C111-S115 WeakPolarHBondContact O-CA 3.29Å; C111-S115 PolarHBondContact O-N 3.16Å
112	D	91.8	Very high	91.3	Very high	104 Å²	104	63.5 Å²	63.5	56%	0.556	34%	0.339	S	S	*	.	H	α-helix	trans	-64.7	-40.8	-179.9	-66.4	-19	0	0	0	111.8	K108	K108-D112 WeakPolarHBondContact O-CB 3.39Å; K108-D112 VanDerWaalsContact O-CG 3.25Å; K108-D112 PolarHBondContact O-N 3.11Å
113	L	90.8	Very high	91.3	Very high	119 Å²	119	64.3 Å²	64.3	62%	0.623	34%	0.344	S	S	*	.	H	α-helix	trans	-68.7	-41.6	179.2	179.8	65.2	0	0	0	112.8	G109 I110 C111 V125	G109-L113 VanDerWaalsContact O-CB 3.25Å; G109-L113 WeakPolarHBondContact O-CB 3.12Å; G109-L113 PolarHBondContact O-N 3.08Å; I110-L113 PolarHBondContact O-N 2.7Å; C111-L113 PolarHBondContact O-N 3.24Å; L113-V125 HydrophobicContact CD2-CG2 3.8Å
114	T	90.7	Very high	91.2	Very high	43 Å²	43	67.9 Å²	67.9	26%	0.264	36%	0.363	S	S	.	.	H	α-helix	trans	-93.4	-16.8	-171.4	62.1	0	0	0	0	112.8	I110 C111 S116 P120 V123	I110-T114 HydrophobicContact CG2-CG2 4.26Å; I110-T114 WeakPolarHBondContact O-CB 3.42Å; I110-T114 VanDerWaalsContact O-CG2 3.3Å; I110-T114 WeakPolarHBondContact O-CG2 3.37Å; I110-T114 PolarHBondContact O-N 3.36Å; I110-T114 PolarHBondContact O-OG1 3.21Å; C111-T114 PolarHBondContact O-N 2.98Å; T114-S116 PolarHBondContact O-N 3.39Å; T114-S116 VanDerWaalsContact O-N 3.15Å; T114-P120 HydrophobicContact CG2-CG 3.59Å; T114-V123 HydrophobicContact CG2-CG2 4.44Å
115	S	91.4	Very high	91	Very high	114 Å²	114	68.7 Å²	68.7	80%	0.797	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.8	33.5	-172	-61.4	0	0	0	0	112.7	C111	C111-S115 WeakPolarHBondContact O-CA 3.29Å; C111-S115 PolarHBondContact O-N 3.16Å
116	S	91.7	Very high	90.9	Very high	44 Å²	44	70.5 Å²	70.5	31%	0.308	38%	0.384	S	S	.	.	S	Bend	trans	-128.2	150.6	-175.6	178.8	0	0	0	0	110.2	T114 Y118	T114-S116 PolarHBondContact O-N 3.39Å; T114-S116 VanDerWaalsContact O-N 3.15Å; S116-Y118 VanDerWaalsContact C-N 3.26Å; S116-Y118 PolarHBondContact OG-N 2.88Å; S116-Y118 VanDerWaalsContact OG-N 3.1Å; S116-Y118 PolarHBondContact OG-O 2.9Å
117	I	91.5	Very high	90.8	Very high	152 Å²	152	70.5 Å²	70.5	78%	0.779	38%	0.384	S	S	*	.	S	Bend	trans	-79.2	-11.6	171.7	63.4	172.1	0	0	0	112.7
118	Y	91.1	Very high	90.9	Very high	174 Å²	174	68.6 Å²	68.6	68%	0.682	38%	0.375	S	S	*	.	S	Bend	trans	-103.4	141.9	-179.9	-61	-70.5	0	0	0	110.6	S116 P120	S116-Y118 VanDerWaalsContact C-N 3.26Å; S116-Y118 PolarHBondContact OG-N 2.88Å; S116-Y118 VanDerWaalsContact OG-N 3.1Å; S116-Y118 PolarHBondContact OG-O 2.9Å; Y118-P120 VanDerWaalsContact O-CD 3.26Å; Y118-P120 WeakPolarHBondContact O-CD 3.36Å
119	I	90.1	Very high	90.9	Very high	70 Å²	70	66 Å²	66	36%	0.359	37%	0.367	S	S	.	.			trans	-80.2	113.7	172.8	-59.5	170.2	0	0	0	107.8	L107 I110 V123 M319	L107-I119 HydrophobicContact CD2-CD1 3.81Å; I110-I119 HydrophobicContact CD1-CG2 4.26Å; I110-I119 HydrophobicContact CG2-CG1 4.49Å; I110-I119 HydrophobicContact CG2-CG2 4.36Å; I119-V123 HydrophobicContact CG2-CG1 4.06Å; I119-M319 HydrophobicContact CD1-CE 3.83Å
120	P	90.1	Very high	91	Very high	52 Å²	52	67.7 Å²	67.7	34%	0.338	37%	0.366	S	S	.	.			trans	-68	149.4	176	-16.7	32.3	0	0	0	110.8	T114 Y118 V123	T114-P120 HydrophobicContact CG2-CG 3.59Å; Y118-P120 VanDerWaalsContact O-CD 3.26Å; Y118-P120 WeakPolarHBondContact O-CD 3.36Å; P120-V123 HydrophobicContact CB-CB 4.47Å; P120-V123 WeakPolarHBondContact O-CB 3.28Å; P120-V123 VanDerWaalsContact O-CG1 3.29Å; P120-V123 WeakPolarHBondContact O-CG1 3.36Å
121	R	87.3	Confident	90.9	Very high	103 Å²	103	76.2 Å²	76.2	39%	0.389	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	144.3	174	-56.3	-179	-53.3	-171.5	16.3	110.1	D49 L51 S72 V123	D49-R121 IonicContact OD2-NH2 3.49Å; D49-R121 PolarHBondContact OD2-NH2 3.22Å; L51-R121 HydrophobicContact CD2-CB 3.91Å; S72-R121 VanDerWaalsContact O-CZ 3.27Å; S72-R121 PolarHBondContact O-NH1 3.37Å; S72-R121 PolarHBondContact O-NH2 2.81Å; R121-V123 PolarHBondContact O-N 3.41Å
122	G	86.1	Confident	90.9	Very high	18 Å²	18	75.9 Å²	75.9	19%	0.186	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	73	7.3	179.1	0	0	0	0	0	113.8	D49 E69 N124	D49-G122 WeakPolarHBondContact O-CA 3.38Å; E69-G122 PolarHBondContact OE2-N 3.34Å; G122-N124 PolarHBondContact O-N 3.32Å; G122-N124 VanDerWaalsContact O-N 3.16Å
123	V	89.6	Confident	91	Very high	18 Å²	18	77 Å²	77	11%	0.109	40%	0.401	C	S	.	.			trans	-65.1	120.7	179.4	73.2	0	0	0	0	109.6	R105 I110 T114 I119 P120 R121 V125	R105-V123 WeakPolarHBondContact CD-O 3.44Å; R105-V123 PolarHBondContact NH1-O 2.88Å; I110-V123 HydrophobicContact CD1-CG1 4.17Å; I110-V123 HydrophobicContact CG1-CG1 4.33Å; I110-V123 HydrophobicContact CG2-CG1 4.31Å; T114-V123 HydrophobicContact CG2-CG2 4.44Å; I119-V123 HydrophobicContact CG2-CG1 4.06Å; P120-V123 HydrophobicContact CB-CB 4.47Å; P120-V123 WeakPolarHBondContact O-CB 3.28Å; P120-V123 VanDerWaalsContact O-CG1 3.29Å; P120-V123 WeakPolarHBondContact O-CG1 3.36Å; R121-V123 PolarHBondContact O-N 3.41Å; V123-V125 HydrophobicContact CG2-CG2 3.9Å
124	N	87.6	Confident	91.3	Very high	102 Å²	102	73.4 Å²	73.4	55%	0.545	38%	0.379	S	S	.	.			trans	-112.2	95.7	-178.9	-168.5	12.9	0	0	0	109.4	G122	G122-N124 PolarHBondContact O-N 3.32Å; G122-N124 VanDerWaalsContact O-N 3.16Å
125	V	90.6	Very high	91.6	Very high	21 Å²	21	75.4 Å²	75.4	13%	0.127	39%	0.386	C	S	.	.			trans	-114	134.5	176	-172.7	0	0	0	0	107.8	P106 I110 L113 V123	P106-V125 HydrophobicContact CG-CG1 4Å; I110-V125 HydrophobicContact CG1-CG2 3.96Å; L113-V125 HydrophobicContact CD2-CG2 3.8Å; V123-V125 HydrophobicContact CG2-CG2 3.9Å
126	P	92.2	Very high	91.8	Very high	66 Å²	66	70 Å²	70	43%	0.429	35%	0.348	S	S	.	.			trans	-53.5	141.4	171.6	-24.7	34.1	0	0	0	111.3	P106 R130	P106-P126 WeakPolarHBondContact CD-O 3.49Å; P106-P126 WeakPolarHBondContact CG-O 3.39Å; P126-R130 HydrophobicContact CB-CG 4.26Å; P126-R130 HydrophobicContact CG-CG 4.44Å
127	A	93.6	Very high	92	Very high	9 Å²	9	71.1 Å²	71.1	7%	0.074	35%	0.35	C	S	.	.	S	Bend	trans	-62.8	-47.4	-179.9	0	0	0	0	0	110.7	E90 F100 Q104	E90-A127 HydrophobicContact CB-CB 3.98Å; E90-A127 HydrophobicContact CG-CB 4.12Å; E90-A127 WeakPolarHBondContact OE2-CB 3.49Å; E90-A127 PolarHBondContact OE2-N 2.96Å; F100-A127 WeakPolarHBondContact CE1-O 3.42Å; Q104-A127 HydrophobicContact CG-CB 4.09Å; Q104-A127 WeakPolarHBondContact O-CA 3.4Å; Q104-A127 WeakPolarHBondContact O-CB 3.3Å
128	L	94.1	Very high	92.1	Very high	0 Å²	0	65.4 Å²	65.4	0%	0	32%	0.322	C	S	.	.	S	Bend	trans	-107.1	142.5	176.6	-52.4	-176.9	0	0	0	111.3	E90 I95 F100 R130 L188 L207	E90-L128 HydrophobicContact CB-CD1 4.47Å; E90-L128 HydrophobicContact CB-CG 4.36Å; E90-L128 PolarHBondContact OE2-N 3.29Å; I95-L128 HydrophobicContact CG1-CD1 4.21Å; I95-L128 HydrophobicContact CG1-CD2 3.74Å; F100-L128 HydrophobicContact CE1-CD2 4.38Å; F100-L128 HydrophobicContact CZ-CD2 4Å; L128-R130 PolarHBondContact O-N 3.17Å; L128-L188 HydrophobicContact CB-CD1 3.41Å; L128-L188 VanDerWaalsContact CB-CD1 3.41Å; L128-L188 HydrophobicContact CD1-CD1 4.1Å; L128-L188 HydrophobicContact CG-CD1 4.4Å; L128-L207 HydrophobicContact CB-CD1 4.5Å; L128-L207 HydrophobicContact CD1-CD1 3.83Å; L128-L207 HydrophobicContact CG-CD1 4.44Å
129	D	92.4	Very high	92.2	Very high	88 Å²	88	58.8 Å²	58.8	47%	0.471	30%	0.3	S	S	.	.			trans	-67.9	120.7	-177.8	-168.1	-11.9	0	0	0	111	K131 V132 L188	D129-K131 VanDerWaalsContact C-N 3.3Å; D129-K131 WeakPolarHBondContact OD1-CB 3.42Å; D129-K131 PolarHBondContact OD1-N 3.04Å; D129-V132 HydrophobicContact CB-CG2 3.93Å; D129-L188 WeakPolarHBondContact O-CD1 3.46Å
130	R	92	Very high	91.8	Very high	61 Å²	61	61.4 Å²	61.4	23%	0.23	33%	0.325	C	S	.	.	S	Bend	trans	-81.1	-10.3	-179	-53.4	-53.4	-177.6	157.8	-2.4	113.3	E90 P126 L128 L207	E90-R130 IonicContact OE1-CZ 3.71Å; E90-R130 IonicContact OE1-NH2 3.46Å; E90-R130 PolarHBondContact OE1-NH2 2.86Å; E90-R130 IonicContact OE2-CZ 3.9Å; E90-R130 IonicContact OE2-NH2 3.15Å; E90-R130 PolarHBondContact OE2-NH2 3.42Å; P126-R130 HydrophobicContact CB-CG 4.26Å; P126-R130 HydrophobicContact CG-CG 4.44Å; L128-R130 PolarHBondContact O-N 3.17Å; R130-L207 VanDerWaalsContact NH1-CD1 3.31Å; R130-L207 VanDerWaalsContact NH2-CD1 3.33Å; R130-L207 VanDerWaalsContact NH2-CD2 3.25Å
131	K	92	Very high	91.3	Very high	181 Å²	181	61 Å²	61	79%	0.787	33%	0.33	S	S	*	.	S	Bend	trans	-91.9	-21	-178.2	-60.3	177.2	-177.9	174.6	0	113.1	D129 E133	D129-K131 VanDerWaalsContact C-N 3.3Å; D129-K131 WeakPolarHBondContact OD1-CB 3.42Å; D129-K131 PolarHBondContact OD1-N 3.04Å; K131-E133 PolarHBondContact O-N 3.4Å
132	V	92.6	Very high	91.3	Very high	55 Å²	55	57.3 Å²	57.3	33%	0.333	32%	0.318	S	S	.	.			trans	-74.9	126.6	-179.2	-179.7	0	0	0	0	109.3	D129 W134	D129-V132 HydrophobicContact CB-CG2 3.93Å; V132-W134 HydrophobicContact CG1-CD2 4.2Å; V132-W134 HydrophobicContact CG1-CH2 4.37Å; V132-W134 HydrophobicContact CG1-CZ2 3.76Å
133	E	94.6	Very high	91.4	Very high	126 Å²	126	63.2 Å²	63.2	59%	0.589	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.9	132.2	172.2	-67.2	-178.9	178.5	0	0	110.1	K131 H185 Y186 T187	K131-E133 PolarHBondContact O-N 3.4Å; E133-H185 HydrophobicContact CB-CB 4.23Å; E133-Y186 WeakPolarHBondContact CA-O 3.4Å; E133-T187 HydrophobicContact CG-CG2 3.92Å
134	W	95.7	Very high	91.5	Very high	44 Å²	44	66.5 Å²	66.5	17%	0.167	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	140	179.8	-62.1	99.1	0	0	0	110	P93 V132 F136 V157 E159 H185 Y186 M206	P93-W134 HydrophobicContact CB-CD2 3.93Å; P93-W134 HydrophobicContact CB-CG 4.11Å; P93-W134 HydrophobicContact CB-CZ2 4.34Å; V132-W134 HydrophobicContact CG1-CD2 4.2Å; V132-W134 HydrophobicContact CG1-CH2 4.37Å; V132-W134 HydrophobicContact CG1-CZ2 3.76Å; W134-F136 PolarHBondContact O-N 3.26Å; W134-V157 HydrophobicContact CB-CG1 3.69Å; W134-V157 HydrophobicContact CD2-CG1 4.21Å; W134-V157 HydrophobicContact CE3-CG1 4Å; W134-V157 HydrophobicContact CG-CG1 4.12Å; W134-E159 HydrophobicContact CH2-CG 3.92Å; W134-E159 HydrophobicContact CZ3-CB 4.31Å; W134-E159 HydrophobicContact CZ3-CG 3.92Å; W134-H185 WeakPolarHBondContact O-CA 3.24Å; W134-Y186 PolarHBondContact N-O 3.2Å; W134-Y186 PolarHBondContact O-N 3.47Å; W134-M206 HydrophobicContact CB-CE 4.29Å
135	E	96.5	Very high	91.7	Very high	85 Å²	85	64.2 Å²	64.2	40%	0.397	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	109.4	171.6	-173	-178.6	-173.4	0	0	109.4	I137 P158 G184	E135-I137 HydrophobicContact CG-CG1 4.41Å; E135-P158 VanDerWaalsContact O-CD 3.32Å; E135-P158 WeakPolarHBondContact O-CD 3.45Å; E135-G184 WeakPolarHBondContact CA-O 3.36Å
136	F	96.6	Very high	91.8	Very high	0 Å²	0	67.1 Å²	67.1	0%	0	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	129.9	175.5	177.2	-102	0	0	0	110.1	W134 P138 Y154 V157 I167 T183 G184 Y186 I192 M206	W134-F136 PolarHBondContact O-N 3.26Å; F136-P138 HydrophobicContact CE1-CB 3.85Å; F136-P138 HydrophobicContact CE1-CG 4.41Å; F136-P138 HydrophobicContact CZ-CB 4.32Å; F136-Y154 HydrophobicContact CE2-CD2 4.25Å; F136-Y154 HydrophobicContact CE2-CE2 4.19Å; F136-Y154 AromaticContact CZ-CD2 3.96Å; F136-Y154 HydrophobicContact CZ-CD2 3.96Å; F136-Y154 HydrophobicContact CZ-CE2 4.21Å; F136-V157 HydrophobicContact CB-CG2 4.46Å; F136-V157 HydrophobicContact CD2-CG2 4.08Å; F136-I167 HydrophobicContact CD2-CG1 4.33Å; F136-I167 HydrophobicContact CE2-CB 4.39Å; F136-I167 HydrophobicContact CE2-CG1 4.18Å; F136-T183 VanDerWaalsContact O-CA 3.26Å; F136-T183 WeakPolarHBondContact O-CA 3.35Å; F136-G184 PolarHBondContact N-O 2.98Å; F136-G184 PolarHBondContact O-N 3.29Å; F136-Y186 HydrophobicContact CB-CD2 3.78Å; F136-Y186 HydrophobicContact CB-CE2 4.32Å; F136-I192 HydrophobicContact CD1-CG2 3.86Å; F136-I192 HydrophobicContact CD2-CG2 4.07Å; F136-I192 HydrophobicContact CE1-CG2 3.37Å; F136-I192 HydrophobicContact CE2-CG2 3.61Å; F136-I192 HydrophobicContact CG-CD1 4.46Å; F136-I192 HydrophobicContact CG-CG2 4.19Å; F136-I192 HydrophobicContact CZ-CG2 3.24Å; F136-M206 HydrophobicContact CB-SD 4.35Å; F136-M206 HydrophobicContact CD2-SD 4.15Å
137	I	96.3	Very high	91.8	Very high	69 Å²	69	71.3 Å²	71.3	35%	0.354	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	109.4	176.3	-54.5	171.4	0	0	0	108.2	E135 G155 I156 T183	E135-I137 HydrophobicContact CG-CG1 4.41Å; I137-G155 CarbonylContact O-C 3.57Å; I137-G155 WeakPolarHBondContact O-CA 3.18Å; I137-I156 PolarHBondContact N-O 3.12Å; I137-I156 PolarHBondContact O-N 3.38Å; I137-T183 HydrophobicContact CG1-CG2 4.16Å
138	P	93.9	Very high	91.8	Very high	31 Å²	31	71.2 Å²	71.2	20%	0.201	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	149.2	178.9	26.8	-33.1	0	0	0	111.7	F136 S140 I180 T183	F136-P138 HydrophobicContact CE1-CB 3.85Å; F136-P138 HydrophobicContact CE1-CG 4.41Å; F136-P138 HydrophobicContact CZ-CB 4.32Å; P138-S140 PolarHBondContact O-N 2.87Å; P138-I180 HydrophobicContact CB-CD1 3.67Å; P138-I180 HydrophobicContact CB-CG1 4.1Å; P138-T183 WeakPolarHBondContact CD-OG1 3.17Å
139	T	91.4	Very high	91.7	Very high	36 Å²	36	74.3 Å²	74.3	22%	0.221	40%	0.404	C	S	.	.			trans	-61.4	124	175.4	-57.3	0	0	0	0	110	G141 L142 I153 Y154 G155	T139-G141 PolarHBondContact O-N 2.77Å; T139-L142 PolarHBondContact O-N 3.25Å; T139-I153 PolarHBondContact OG1-O 2.77Å; T139-Y154 PolarHBondContact N-O 3.15Å; T139-Y154 VanDerWaalsContact N-O 3.08Å; T139-Y154 VanDerWaalsContact OG1-C 3.24Å; T139-Y154 PolarHBondContact OG1-O 3.37Å; T139-G155 PolarHBondContact OG1-N 3Å
140	S	82.2	Confident	91.8	Very high	125 Å²	125	70.3 Å²	70.3	87%	0.874	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-23.4	-170.3	57.2	0	0	0	0	115.4	P138	P138-S140 PolarHBondContact O-N 2.87Å
141	G	80.5	Confident	91.8	Very high	43 Å²	43	67.6 Å²	67.6	44%	0.443	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-17.2	177.8	0	0	0	0	0	115.2	T139 K143 M146	T139-G141 PolarHBondContact O-N 2.77Å; G141-K143 PolarHBondContact O-N 3.2Å; G141-M146 WeakPolarHBondContact O-CE 3.39Å
142	L	87.4	Confident	91.9	Very high	26 Å²	26	60.1 Å²	60.1	14%	0.136	34%	0.344	C	S	.	.			trans	-85.5	116.5	-167.9	-164.7	64.3	0	0	0	111.5	T139 M146 I148 V177 I180	T139-L142 PolarHBondContact O-N 3.25Å; L142-M146 HydrophobicContact CD1-CB 4.34Å; L142-I148 HydrophobicContact CD2-CD1 4.16Å; L142-V177 HydrophobicContact CD1-CG2 3.89Å; L142-V177 HydrophobicContact CD2-CG2 4.3Å; L142-V177 HydrophobicContact CG-CG2 4.16Å; L142-I180 HydrophobicContact CD2-CD1 3.72Å; L142-I180 HydrophobicContact CG-CD1 4.4Å
143	K	88.2	Confident	92	Very high	141 Å²	141	58.8 Å²	58.8	61%	0.613	33%	0.334	S	S	*	.			trans	-122.6	153.6	179.8	-64.2	-179.2	-176.8	176.9	0	111.3	G141 G145 M146	G141-K143 PolarHBondContact O-N 3.2Å; K143-G145 PolarHBondContact O-N 3.41Å; K143-M146 HydrophobicContact CB-CG 4.45Å; K143-M146 HydrophobicContact CB-SD 4.06Å; K143-M146 PolarHBondContact N-SD 2.98Å; K143-M146 WeakPolarHBondContact O-CB 3.33Å; K143-M146 WeakPolarHBondContact O-CG 3.44Å; K143-M146 PolarHBondContact O-N 3.01Å; K143-M146 VanDerWaalsContact O-N 3.13Å
144	P	91.8	Very high	92	Very high	88 Å²	88	53 Å²	53	57%	0.571	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.9	132.4	167.1	-26.7	35.8	0	0	0	111.3	V177	P144-V177 CarbonylContact C-O 3.59Å; P144-V177 VanDerWaalsContact CA-O 3.31Å; P144-V177 WeakPolarHBondContact CA-O 3.42Å
145	G	90.9	Very high	91.9	Very high	54 Å²	54	50.9 Å²	50.9	56%	0.557	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	97.6	-9.3	-175.5	0	0	0	0	0	115.1	K143 T176 V177	K143-G145 PolarHBondContact O-N 3.41Å; G145-T176 VanDerWaalsContact C-CG2 3.48Å; G145-T176 WeakPolarHBondContact O-CG2 3.4Å; G145-V177 PolarHBondContact N-O 3.43Å
146	M	92.3	Very high	91.8	Very high	82 Å²	82	49.6 Å²	49.6	40%	0.404	29%	0.294	S	S	.	.			trans	-82.2	145.9	176.2	-68.1	179.3	65.4	0	0	112	G141 L142 K143 T176 V177	G141-M146 WeakPolarHBondContact O-CE 3.39Å; L142-M146 HydrophobicContact CD1-CB 4.34Å; K143-M146 HydrophobicContact CB-CG 4.45Å; K143-M146 HydrophobicContact CB-SD 4.06Å; K143-M146 PolarHBondContact N-SD 2.98Å; K143-M146 WeakPolarHBondContact O-CB 3.33Å; K143-M146 WeakPolarHBondContact O-CG 3.44Å; K143-M146 PolarHBondContact O-N 3.01Å; K143-M146 VanDerWaalsContact O-N 3.13Å; M146-T176 CarbonylContact O-C 3.43Å; M146-T176 WeakPolarHBondContact O-CA 3.3Å; M146-V177 PolarHBondContact O-N 3.45Å
147	H	92.5	Very high	91.8	Very high	153 Å²	153	49.6 Å²	49.6	71%	0.708	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.7	140.4	171.9	-64	-61	0	0	0	110.9	G175 T176	H147-G175 WeakPolarHBondContact CA-O 3.12Å; H147-T176 PolarHBondContact CE1-OG1 3.02Å; H147-T176 VanDerWaalsContact CE1-OG1 3.26Å; H147-T176 PolarHBondContact ND1-OG1 3.42Å; H147-T176 VanDerWaalsContact ND1-OG1 3.1Å
148	I	93.6	Very high	91.7	Very high	8 Å²	8	48.8 Å²	48.8	4%	0.041	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	143.3	176.8	-167.8	173.9	0	0	0	109	L142 D152 L169 Q174 G175 V177 L193 I195	L142-I148 HydrophobicContact CD2-CD1 4.16Å; I148-D152 WeakPolarHBondContact CA-OD2 3.28Å; I148-D152 HydrophobicContact CD1-CB 3.97Å; I148-D152 HydrophobicContact CG1-CB 3.49Å; I148-D152 VanDerWaalsContact CG1-CB 3.49Å; I148-D152 WeakPolarHBondContact CG1-OD2 3.46Å; I148-L169 HydrophobicContact CD1-CB 4.41Å; I148-L169 HydrophobicContact CD1-CD2 4.28Å; I148-L169 HydrophobicContact CG1-CD2 4.05Å; I148-L169 HydrophobicContact CG2-CD2 3.96Å; I148-Q174 WeakPolarHBondContact O-CA 3.46Å; I148-G175 PolarHBondContact N-O 3.4Å; I148-G175 PolarHBondContact O-N 3.39Å; I148-V177 HydrophobicContact CB-CG2 4.09Å; I148-V177 HydrophobicContact CG2-CG2 3.75Å; I148-L193 HydrophobicContact CD1-CD2 4.24Å; I148-I195 HydrophobicContact CG2-CD1 3.64Å; I148-I195 HydrophobicContact CG2-CG1 4.07Å; I148-I195 HydrophobicContact CG2-CG2 4.35Å
149	T	93.3	Very high	91.7	Very high	64 Å²	64	48.2 Å²	48.2	39%	0.393	29%	0.289	S	S	.	.			trans	-125	170.3	178.6	-165.6	0	0	0	0	112.1	G151 D152 A173	T149-G151 PolarHBondContact O-N 2.6Å; T149-D152 WeakPolarHBondContact CG2-OD1 3.5Å; T149-D152 PolarHBondContact N-OD2 2.98Å; T149-D152 VanDerWaalsContact O-CB 3.3Å; T149-D152 WeakPolarHBondContact O-CB 3.38Å; T149-D152 VanDerWaalsContact O-CG 3.25Å; T149-D152 PolarHBondContact O-N 3.41Å; T149-D152 VanDerWaalsContact O-N 3.16Å; T149-A173 CarbonylContact C-O 3.56Å
150	G	93.3	Very high	91.6	Very high	5 Å²	5	48.3 Å²	48.3	5%	0.052	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60	129.9	-178.1	0	0	0	0	0	111.8	S170 A173	G150-S170 WeakPolarHBondContact CA-O 3.33Å; G150-A173 WeakPolarHBondContact CA-O 3.49Å; G150-A173 PolarHBondContact N-O 3.16Å
151	G	93	Very high	91.8	Very high	4 Å²	4	46.9 Å²	46.9	4%	0.041	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	93.9	-15.3	-176.3	0	0	0	0	0	114.9	T149 L169 L396 R402	T149-G151 PolarHBondContact O-N 2.6Å; G151-L169 PolarHBondContact N-O 3.21Å; G151-L396 CarbonylContact C-O 3.55Å; G151-R402 PolarHBondContact O-NH1 2.99Å; G151-R402 PolarHBondContact O-NH2 3.35Å
152	D	94.1	Very high	92.1	Very high	23 Å²	23	46.8 Å²	46.8	12%	0.123	26%	0.263	C	S	.	.			trans	-61.8	138.3	177.7	-70.8	-4	0	0	0	111.1	I148 T149 Y154 M168 L169 G397 G398	I148-D152 WeakPolarHBondContact CA-OD2 3.28Å; I148-D152 HydrophobicContact CD1-CB 3.97Å; I148-D152 HydrophobicContact CG1-CB 3.49Å; I148-D152 VanDerWaalsContact CG1-CB 3.49Å; I148-D152 WeakPolarHBondContact CG1-OD2 3.46Å; T149-D152 WeakPolarHBondContact CG2-OD1 3.5Å; T149-D152 PolarHBondContact N-OD2 2.98Å; T149-D152 VanDerWaalsContact O-CB 3.3Å; T149-D152 WeakPolarHBondContact O-CB 3.38Å; T149-D152 VanDerWaalsContact O-CG 3.25Å; T149-D152 PolarHBondContact O-N 3.41Å; T149-D152 VanDerWaalsContact O-N 3.16Å; D152-Y154 PolarHBondContact O-N 2.96Å; D152-M168 CarbonylContact O-C 3.52Å; D152-M168 VanDerWaalsContact O-CA 3.3Å; D152-M168 WeakPolarHBondContact O-CA 3.05Å; D152-L169 PolarHBondContact O-N 2.96Å; D152-G397 VanDerWaalsContact OD1-C 3.25Å; D152-G397 WeakPolarHBondContact OD1-CA 3.44Å; D152-G398 PolarHBondContact OD1-N 2.89Å
153	I	94.3	Very high	92.4	Very high	27 Å²	27	45.7 Å²	45.7	14%	0.138	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	115.7	177.2	-61.4	163.9	0	0	0	109	T139 G155 R166 I167 M168 R402	T139-I153 PolarHBondContact OG1-O 2.77Å; I153-G155 WeakPolarHBondContact CG2-O 3.3Å; I153-R166 HydrophobicContact CD1-CB 3.99Å; I153-R166 HydrophobicContact CD1-CG 4.21Å; I153-R166 HydrophobicContact CG1-CB 4.15Å; I153-R166 HydrophobicContact CG2-CB 4.19Å; I153-I167 WeakPolarHBondContact CA-O 3.42Å; I153-M168 HydrophobicContact CG1-CG 3.89Å; I153-R402 VanDerWaalsContact CD1-CD 3.47Å; I153-R402 VanDerWaalsContact CD1-NH1 3.35Å; I153-R402 VanDerWaalsContact CG1-NH1 3.27Å
154	Y	93.6	Very high	92.6	Very high	5 Å²	5	44.1 Å²	44.1	2%	0.02	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	-7.9	177.7	65.6	-96	0	0	0	113.5	F136 T139 D152 I167 M168 L169 I192 L193 T205	F136-Y154 HydrophobicContact CE2-CD2 4.25Å; F136-Y154 HydrophobicContact CE2-CE2 4.19Å; F136-Y154 AromaticContact CZ-CD2 3.96Å; F136-Y154 HydrophobicContact CZ-CD2 3.96Å; F136-Y154 HydrophobicContact CZ-CE2 4.21Å; T139-Y154 PolarHBondContact N-O 3.15Å; T139-Y154 VanDerWaalsContact N-O 3.08Å; T139-Y154 VanDerWaalsContact OG1-C 3.24Å; T139-Y154 PolarHBondContact OG1-O 3.37Å; D152-Y154 PolarHBondContact O-N 2.96Å; Y154-I167 HydrophobicContact CE1-CG2 3.72Å; Y154-I167 HydrophobicContact CE2-CB 4.3Å; Y154-I167 HydrophobicContact CE2-CG2 3.66Å; Y154-I167 PolarHBondContact N-O 3.44Å; Y154-I167 WeakPolarHBondContact OH-CG2 3.42Å; Y154-M168 VanDerWaalsContact CE1-C 3.43Å; Y154-L169 HydrophobicContact CD1-CB 4.33Å; Y154-I192 HydrophobicContact CD2-CG2 4.2Å; Y154-I192 HydrophobicContact CE2-CB 4.28Å; Y154-I192 HydrophobicContact CE2-CG2 3.66Å; Y154-L193 HydrophobicContact CD1-CD2 3.99Å; Y154-L193 HydrophobicContact CD2-CB 4.29Å; Y154-L193 HydrophobicContact CD2-CD2 4.16Å; Y154-L193 HydrophobicContact CE1-CD2 4.29Å; Y154-L193 HydrophobicContact CE2-CB 4.19Å; Y154-L193 HydrophobicContact CE2-CD2 4.48Å; Y154-L193 HydrophobicContact CG-CD2 3.89Å; Y154-T205 PolarHBondContact OH-O 2.93Å
155	G	93.8	Very high	92.8	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175	178.2	167.4	0	0	0	0	0	113.8	I137 T139 I153 I167	I137-G155 CarbonylContact O-C 3.57Å; I137-G155 WeakPolarHBondContact O-CA 3.18Å; T139-G155 PolarHBondContact OG1-N 3Å; I153-G155 WeakPolarHBondContact CG2-O 3.3Å; G155-I167 PolarHBondContact O-N 3.4Å
156	I	95.4	Very high	93	Very high	57 Å²	57	40.8 Å²	40.8	29%	0.292	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	137.4	-176.1	-58.3	175.1	0	0	0	108.5	I137 Q164 H165	I137-I156 PolarHBondContact N-O 3.12Å; I137-I156 PolarHBondContact O-N 3.38Å; I156-Q164 HydrophobicContact CG2-CB 4.17Å; I156-H165 WeakPolarHBondContact CA-O 3.29Å
157	V	96.3	Very high	93.2	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	116.2	171.8	171.5	0	0	0	0	108	P93 W134 F136 E159 H165 I167 M206	P93-V157 HydrophobicContact CB-CG1 4.11Å; P93-V157 HydrophobicContact CG-CB 4.1Å; P93-V157 HydrophobicContact CG-CG1 3.97Å; P93-V157 HydrophobicContact CG-CG2 4.19Å; W134-V157 HydrophobicContact CB-CG1 3.69Å; W134-V157 HydrophobicContact CD2-CG1 4.21Å; W134-V157 HydrophobicContact CE3-CG1 4Å; W134-V157 HydrophobicContact CG-CG1 4.12Å; F136-V157 HydrophobicContact CB-CG2 4.46Å; F136-V157 HydrophobicContact CD2-CG2 4.08Å; V157-E159 PolarHBondContact O-N 3.36Å; V157-H165 HydrophobicContact CB-CB 4.3Å; V157-H165 PolarHBondContact N-O 3.45Å; V157-H165 WeakPolarHBondContact O-CA 3.48Å; V157-H165 WeakPolarHBondContact O-CB 3.41Å; V157-H165 PolarHBondContact O-N 3.14Å; V157-I167 HydrophobicContact CB-CD1 4.31Å; V157-I167 HydrophobicContact CG2-CD1 3.86Å; V157-I167 HydrophobicContact CG2-CG1 3.85Å; V157-M206 HydrophobicContact CG2-SD 3.67Å
158	P	94.8	Very high	93.3	Very high	53 Å²	53	30 Å²	30	34%	0.344	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	95.6	171.5	29.4	-30	0	0	0	109.2	E135	E135-P158 VanDerWaalsContact O-CD 3.32Å; E135-P158 WeakPolarHBondContact O-CD 3.45Å
159	E	92.3	Very high	93.3	Very high	19 Å²	19	29.7 Å²	29.7	9%	0.089	16%	0.159	C	C	.	.			trans	-73	-35.6	-176.3	-176.1	172	-170.8	0	0	111.6	G94 I95 V96 W134 V157 V163 H165	G94-E159 WeakPolarHBondContact CA-OE1 3.49Å; G94-E159 PolarHBondContact N-OE1 3.22Å; I95-E159 PolarHBondContact N-OE1 3.32Å; V96-E159 VanDerWaalsContact CG2-CD 3.45Å; V96-E159 HydrophobicContact CG2-CG 4.01Å; V96-E159 WeakPolarHBondContact CG2-OE1 3.49Å; V96-E159 PolarHBondContact N-OE1 2.93Å; W134-E159 HydrophobicContact CH2-CG 3.92Å; W134-E159 HydrophobicContact CZ3-CB 4.31Å; W134-E159 HydrophobicContact CZ3-CG 3.92Å; V157-E159 PolarHBondContact O-N 3.36Å; E159-V163 PolarHBondContact N-O 2.67Å; E159-H165 HydrophobicContact CB-CB 4.18Å; E159-H165 IonicContact OE2-CE1 3.21Å; E159-H165 IonicContact OE2-CG 2.79Å; E159-H165 IonicContact OE2-ND1 3.16Å; E159-H165 PolarHBondContact OE2-ND1 2.85Å
160	N	89.7	Confident	93.4	Very high	37 Å²	37	28.1 Å²	28.1	20%	0.198	15%	0.15	C	C	.	.	S	Bend	trans	-155.1	-171.2	170.5	57.1	62.8	0	0	0	110	V96 L162 V163 Q308	V96-N160 WeakPolarHBondContact CG2-ND2 3.33Å; N160-L162 VanDerWaalsContact C-N 3.27Å; N160-L162 PolarHBondContact O-N 3.5Å; N160-L162 WeakPolarHBondContact OD1-CA 3.48Å; N160-L162 WeakPolarHBondContact OD1-CB 3.39Å; N160-L162 PolarHBondContact OD1-N 3.38Å; N160-V163 PolarHBondContact OD1-N 3.04Å; N160-Q308 HydrophobicContact CB-CB 4.43Å; N160-Q308 PolarHBondContact ND2-O 3.22Å
161	T	87	Confident	93.3	Very high	96 Å²	96	29.1 Å²	29.1	59%	0.589	16%	0.156	S	C	*	.	S	Bend	trans	-68.7	-23.3	-178.5	49.7	0	0	0	0	113.6	E304 Q308	T161-E304 VanDerWaalsContact CB-OE1 3.31Å; T161-E304 WeakPolarHBondContact CB-OE1 2.91Å; T161-E304 PolarHBondContact OG1-OE1 3.07Å; T161-E304 PolarHBondContact OG1-OE2 2.87Å; T161-Q308 PolarHBondContact OG1-OE1 3.15Å; T161-Q308 VanDerWaalsContact OG1-OE1 3.11Å
162	L	87.5	Confident	93.2	Very high	41 Å²	41	36.1 Å²	36.1	22%	0.215	19%	0.185	C	C	.	.	S	Bend	trans	-97.2	-36.8	-178.7	-61.7	-177.7	0	0	0	113.3	N160 V299 E304 Q308 R309	N160-L162 VanDerWaalsContact C-N 3.27Å; N160-L162 PolarHBondContact O-N 3.5Å; N160-L162 WeakPolarHBondContact OD1-CA 3.48Å; N160-L162 WeakPolarHBondContact OD1-CB 3.39Å; N160-L162 PolarHBondContact OD1-N 3.38Å; L162-V299 HydrophobicContact CD2-CB 3.58Å; L162-V299 HydrophobicContact CD2-CG1 3.73Å; L162-V299 HydrophobicContact CD2-CG2 3.67Å; L162-E304 HydrophobicContact CD1-CB 3.86Å; L162-E304 HydrophobicContact CD2-CB 4.02Å; L162-E304 HydrophobicContact CD2-CG 3.97Å; L162-E304 HydrophobicContact CG-CB 4.04Å; L162-E304 HydrophobicContact CG-CG 4.25Å; L162-Q308 HydrophobicContact CD1-CB 4.18Å; L162-R309 HydrophobicContact CD1-CB 4.38Å; L162-R309 HydrophobicContact CD1-CG 4.44Å
163	V	91.9	Very high	93.1	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.012	19%	0.186	C	C	.	.			trans	-111.5	114.6	-168.3	-176.1	0	0	0	0	110.8	E159 N160 I272 R309	E159-V163 PolarHBondContact N-O 2.67Å; N160-V163 PolarHBondContact OD1-N 3.04Å; V163-I272 HydrophobicContact CG1-CD1 4.08Å; V163-I272 HydrophobicContact CG2-CD1 3.57Å; V163-R309 HydrophobicContact CG2-CB 4.25Å
164	Q	93.7	Very high	93	Very high	108 Å²	108	39.3 Å²	39.3	51%	0.505	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	106.7	165.8	-66.9	-173.3	-8.3	0	0	109.2	I156 R166 Y343	I156-Q164 HydrophobicContact CG2-CB 4.17Å; Q164-R166 PolarHBondContact O-N 3.07Å; Q164-Y343 PolarHBondContact N-OH 3.45Å; Q164-Y343 PolarHBondContact O-OH 3.11Å
165	H	96.2	Very high	93	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	108.9	-176.6	-155.2	118.2	0	0	0	109.8	G92 I156 V157 E159 I167 Y337 M341	G92-H165 PolarHBondContact O-CE1 2.89Å; I156-H165 WeakPolarHBondContact CA-O 3.29Å; V157-H165 HydrophobicContact CB-CB 4.3Å; V157-H165 PolarHBondContact N-O 3.45Å; V157-H165 WeakPolarHBondContact O-CA 3.48Å; V157-H165 WeakPolarHBondContact O-CB 3.41Å; V157-H165 PolarHBondContact O-N 3.14Å; E159-H165 HydrophobicContact CB-CB 4.18Å; E159-H165 IonicContact OE2-CE1 3.21Å; E159-H165 IonicContact OE2-CG 2.79Å; E159-H165 IonicContact OE2-ND1 3.16Å; E159-H165 PolarHBondContact OE2-ND1 2.85Å; H165-I167 PolarHBondContact O-N 3.45Å; H165-Y337 AromaticContact CE1-CE1 3.8Å; H165-Y337 AromaticContact NE2-CE1 3.43Å; H165-Y337 WeakPolarHBondContact NE2-CE1 3.43Å; H165-Y337 AromaticContact NE2-CZ 3.46Å; H165-Y337 PolarHBondContact NE2-OH 3.44Å; H165-M341 VanDerWaalsContact CD2-CE 3.45Å; H165-M341 WeakPolarHBondContact CD2-CE 3.32Å; H165-M341 WeakPolarHBondContact NE2-CE 3.33Å
166	R	94.9	Very high	93.1	Very high	73 Å²	73	41.4 Å²	41.4	28%	0.275	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	114.2	-178.8	-62.6	170.9	-175.9	-176.4	-2.9	108.8	I153 Q164 M168 M341	I153-R166 HydrophobicContact CD1-CB 3.99Å; I153-R166 HydrophobicContact CD1-CG 4.21Å; I153-R166 HydrophobicContact CG1-CB 4.15Å; I153-R166 HydrophobicContact CG2-CB 4.19Å; Q164-R166 PolarHBondContact O-N 3.07Å; R166-M168 PolarHBondContact O-N 2.86Å; R166-M341 HydrophobicContact CB-CB 4.21Å; R166-M341 HydrophobicContact CB-CG 4.14Å; R166-M341 HydrophobicContact CB-SD 4.45Å; R166-M341 VanDerWaalsContact CD-O 3.28Å; R166-M341 WeakPolarHBondContact CD-O 3.48Å; R166-M341 PolarHBondContact NH1-O 3.26Å
167	I	95.3	Very high	93.1	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.01	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	117.3	-179.9	-46.8	-60.9	0	0	0	108.6	P93 F136 I153 Y154 G155 V157 H165 M206	P93-I167 HydrophobicContact CG-CD1 3.67Å; F136-I167 HydrophobicContact CD2-CG1 4.33Å; F136-I167 HydrophobicContact CE2-CB 4.39Å; F136-I167 HydrophobicContact CE2-CG1 4.18Å; I153-I167 WeakPolarHBondContact CA-O 3.42Å; Y154-I167 HydrophobicContact CE1-CG2 3.72Å; Y154-I167 HydrophobicContact CE2-CB 4.3Å; Y154-I167 HydrophobicContact CE2-CG2 3.66Å; Y154-I167 PolarHBondContact N-O 3.44Å; Y154-I167 WeakPolarHBondContact OH-CG2 3.42Å; G155-I167 PolarHBondContact O-N 3.4Å; V157-I167 HydrophobicContact CB-CD1 4.31Å; V157-I167 HydrophobicContact CG2-CD1 3.86Å; V157-I167 HydrophobicContact CG2-CG1 3.85Å; H165-I167 PolarHBondContact O-N 3.45Å; I167-M206 HydrophobicContact CD1-CB 4.32Å; I167-M206 HydrophobicContact CG2-CB 4.5Å
168	M	95	Very high	93	Very high	6 Å²	6	43.7 Å²	43.7	3%	0.03	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	145.9	-174.3	-63.4	173.6	-67.3	0	0	111.1	D152 I153 Y154 R166 Y337 D340 M341 R402	D152-M168 CarbonylContact O-C 3.52Å; D152-M168 VanDerWaalsContact O-CA 3.3Å; D152-M168 WeakPolarHBondContact O-CA 3.05Å; I153-M168 HydrophobicContact CG1-CG 3.89Å; Y154-M168 VanDerWaalsContact CE1-C 3.43Å; R166-M168 PolarHBondContact O-N 2.86Å; M168-Y337 HydrophobicContact CE-CD2 3.86Å; M168-Y337 HydrophobicContact CE-CE2 3.54Å; M168-D340 HydrophobicContact CE-CB 3.81Å; M168-D340 VanDerWaalsContact SD-C 3.51Å; M168-D340 HydrophobicContact SD-CB 3.98Å; M168-M341 HydrophobicContact CE-CB 4.48Å; M168-M341 HydrophobicContact CE-CE 4.3Å; M168-M341 HydrophobicContact CE-CG 3.49Å; M168-M341 VanDerWaalsContact CE-CG 3.49Å; M168-M341 HydrophobicContact SD-CG 4.14Å; M168-R402 PolarHBondContact SD-NH1 3.09Å
169	L	94.9	Very high	93.1	Very high	2 Å²	2	45.6 Å²	45.6	1%	0.01	23%	0.225	C	C	.	.			trans	-65.7	139.7	171.1	-173	59.9	0	0	0	110.1	I148 G151 D152 Y154 A173 L193 I195	I148-L169 HydrophobicContact CD1-CB 4.41Å; I148-L169 HydrophobicContact CD1-CD2 4.28Å; I148-L169 HydrophobicContact CG1-CD2 4.05Å; I148-L169 HydrophobicContact CG2-CD2 3.96Å; G151-L169 PolarHBondContact N-O 3.21Å; D152-L169 PolarHBondContact O-N 2.96Å; Y154-L169 HydrophobicContact CD1-CB 4.33Å; L169-A173 HydrophobicContact CD1-CB 3.9Å; L169-A173 HydrophobicContact CD2-CB 4.08Å; L169-A173 WeakPolarHBondContact CD2-O 3.41Å; L169-A173 HydrophobicContact CG-CB 3.88Å; L169-L193 HydrophobicContact CD1-CD2 4.28Å; L169-I195 HydrophobicContact CD1-CD1 3.45Å; L169-I195 VanDerWaalsContact CD1-CD1 3.45Å; L169-I195 HydrophobicContact CD2-CD1 3.42Å; L169-I195 VanDerWaalsContact CD2-CD1 3.42Å; L169-I195 HydrophobicContact CG-CD1 4.09Å
170	S	93.7	Very high	93.2	Very high	31 Å²	31	46 Å²	46	22%	0.217	23%	0.228	C	C	.	.			trans	-54.2	137.3	177.6	-179.8	0	0	0	0	110.6	G150 K172 A173	G150-S170 WeakPolarHBondContact CA-O 3.33Å; S170-K172 PolarHBondContact O-N 3.39Å; S170-A173 PolarHBondContact O-N 3.25Å
171	P	91.6	Very high	93.4	Very high	25 Å²	25	44.2 Å²	44.2	16%	0.162	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-20.1	-173.3	-27.6	33.7	0	0	0	116.2	W210 P217	P171-W210 HydrophobicContact CB-CH2 4.14Å; P171-W210 HydrophobicContact CB-CZ3 4.13Å; P171-W210 HydrophobicContact CG-CE3 4.48Å; P171-W210 HydrophobicContact CG-CH2 4.07Å; P171-W210 HydrophobicContact CG-CZ3 3.84Å; P171-P217 HydrophobicContact CB-CG 3.44Å; P171-P217 VanDerWaalsContact CB-CG 3.44Å; P171-P217 HydrophobicContact CG-CG 3.99Å
172	K	90.6	Very high	93.8	Very high	151 Å²	151	43.5 Å²	43.5	66%	0.657	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.8	-8.2	179.9	-62.6	-178.1	-177.8	175.8	0	113.7	S170 W210	S170-K172 PolarHBondContact O-N 3.39Å; K172-W210 HydrophobicContact CG-CZ3 4.5Å
173	A	92.4	Very high	94.2	Very high	18 Å²	18	45.5 Å²	45.5	15%	0.149	23%	0.23	C	C	.	.			trans	-96.5	141.5	-177.9	0	0	0	0	0	110.6	T149 G150 L169 S170	T149-A173 CarbonylContact C-O 3.56Å; G150-A173 WeakPolarHBondContact CA-O 3.49Å; G150-A173 PolarHBondContact N-O 3.16Å; L169-A173 HydrophobicContact CD1-CB 3.9Å; L169-A173 HydrophobicContact CD2-CB 4.08Å; L169-A173 WeakPolarHBondContact CD2-O 3.41Å; L169-A173 HydrophobicContact CG-CB 3.88Å; S170-A173 PolarHBondContact O-N 3.25Å
174	Q	93.2	Very high	94.3	Very high	100 Å²	100	46.4 Å²	46.4	47%	0.467	24%	0.239	S	C	.	.			trans	-152.5	158.6	176.6	61.1	-178	4.7	0	0	108.3	I148 F197	I148-Q174 WeakPolarHBondContact O-CA 3.46Å; Q174-F197 HydrophobicContact CG-CD2 3.82Å; Q174-F197 HydrophobicContact CG-CE2 3.69Å; Q174-F197 HydrophobicContact CG-CG 4.37Å; Q174-F197 HydrophobicContact CG-CZ 4.15Å; Q174-F197 VanDerWaalsContact NE2-CE2 3.28Å; Q174-F197 VanDerWaalsContact O-CB 3.26Å; Q174-F197 WeakPolarHBondContact O-CB 3.09Å; Q174-F197 WeakPolarHBondContact O-CG 3.32Å
175	G	94	Very high	94.4	Very high	9 Å²	9	46.9 Å²	46.9	9%	0.093	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	152.5	-157.8	172.2	0	0	0	0	0	112.8	H147 I148 I195 E196	H147-G175 WeakPolarHBondContact CA-O 3.12Å; I148-G175 PolarHBondContact N-O 3.4Å; I148-G175 PolarHBondContact O-N 3.39Å; G175-I195 VanDerWaalsContact CA-CG2 3.41Å; G175-E196 WeakPolarHBondContact CA-O 3.15Å
176	T	95.3	Very high	94.4	Very high	40 Å²	40	49 Å²	49	25%	0.245	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	129.7	-179	-51.5	0	0	0	0	110	G145 M146 H147 K178 I195 E196	G145-T176 VanDerWaalsContact C-CG2 3.48Å; G145-T176 WeakPolarHBondContact O-CG2 3.4Å; M146-T176 CarbonylContact O-C 3.43Å; M146-T176 WeakPolarHBondContact O-CA 3.3Å; H147-T176 PolarHBondContact CE1-OG1 3.02Å; H147-T176 VanDerWaalsContact CE1-OG1 3.26Å; H147-T176 PolarHBondContact ND1-OG1 3.42Å; H147-T176 VanDerWaalsContact ND1-OG1 3.1Å; T176-K178 PolarHBondContact O-N 3.28Å; T176-I195 CarbonylContact O-C 3.56Å; T176-I195 WeakPolarHBondContact O-CA 3.4Å; T176-E196 PolarHBondContact N-O 3.05Å; T176-E196 PolarHBondContact O-N 3.46Å
177	V	95.3	Very high	94.4	Very high	2 Å²	2	46.6 Å²	46.6	1%	0.012	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	120.7	178.3	178.2	0	0	0	0	109.5	L142 P144 G145 M146 I148 L193	L142-V177 HydrophobicContact CD1-CG2 3.89Å; L142-V177 HydrophobicContact CD2-CG2 4.3Å; L142-V177 HydrophobicContact CG-CG2 4.16Å; P144-V177 CarbonylContact C-O 3.59Å; P144-V177 VanDerWaalsContact CA-O 3.31Å; P144-V177 WeakPolarHBondContact CA-O 3.42Å; G145-V177 PolarHBondContact N-O 3.43Å; M146-V177 PolarHBondContact O-N 3.45Å; I148-V177 HydrophobicContact CB-CG2 4.09Å; I148-V177 HydrophobicContact CG2-CG2 3.75Å; V177-L193 HydrophobicContact CG1-CD1 3.82Å; V177-L193 HydrophobicContact CG2-CD1 4.2Å
178	K	94.9	Very high	94.3	Very high	102 Å²	102	46.6 Å²	46.6	44%	0.443	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	-38.8	174.8	-174.7	174.3	-178.2	170	0	111.6	T176 E194 I201	T176-K178 PolarHBondContact O-N 3.28Å; K178-E194 HydrophobicContact CB-CB 4.19Å; K178-E194 PolarHBondContact N-O 2.95Å; K178-I201 HydrophobicContact CD-CD1 4.04Å; K178-I201 HydrophobicContact CD-CG1 4.3Å
179	W	95.3	Very high	94.2	Very high	93 Å²	93	49.8 Å²	49.8	35%	0.352	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	144.3	-178.4	177.4	86.9	0	0	0	110.1	A181 K191 E194	W179-A181 HydrophobicContact CH2-CB 3.59Å; W179-A181 HydrophobicContact CZ2-CB 4.16Å; W179-A181 HydrophobicContact CZ3-CB 4.09Å; W179-K191 WeakPolarHBondContact CH2-O 3.42Å; W179-K191 HydrophobicContact CZ3-CD 4.35Å; W179-K191 VanDerWaalsContact CZ3-CE 3.47Å; W179-K191 HydrophobicContact CZ3-CG 4.14Å; W179-K191 WeakPolarHBondContact CZ3-O 3.43Å; W179-E194 HydrophobicContact CB-CB 4.1Å; W179-E194 HydrophobicContact CB-CG 4.26Å; W179-E194 HydrophobicContact CE3-CG 4.13Å; W179-E194 PolarHBondContact N-O 3.38Å; W179-E194 PolarHBondContact O-N 3.22Å
180	I	94.8	Very high	94.2	Very high	27 Å²	27	52.8 Å²	52.8	14%	0.138	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	139	172.5	-176.2	161.4	0	0	0	108.7	P138 L142 I192 L193	P138-I180 HydrophobicContact CB-CD1 3.67Å; P138-I180 HydrophobicContact CB-CG1 4.1Å; L142-I180 HydrophobicContact CD2-CD1 3.72Å; L142-I180 HydrophobicContact CG-CD1 4.4Å; I180-I192 CarbonylContact C-O 3.54Å; I180-I192 WeakPolarHBondContact CA-O 3.49Å; I180-L193 HydrophobicContact CB-CD1 4.13Å; I180-L193 HydrophobicContact CD1-CD1 4.34Å; I180-L193 HydrophobicContact CG1-CD1 4.32Å
181	A	94.4	Very high	94.2	Very high	1 Å²	1	55.2 Å²	55.2	1%	0.008	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-63.6	138.4	176.4	0	0	0	0	0	110.7	W179 Y186 I192	W179-A181 HydrophobicContact CH2-CB 3.59Å; W179-A181 HydrophobicContact CZ2-CB 4.16Å; W179-A181 HydrophobicContact CZ3-CB 4.09Å; A181-Y186 HydrophobicContact CB-CE1 4.28Å; A181-Y186 HydrophobicContact CB-CE2 4.21Å; A181-I192 HydrophobicContact CB-CD1 4.09Å; A181-I192 HydrophobicContact CB-CG2 4.24Å; A181-I192 PolarHBondContact N-O 3.09Å
182	P	94.3	Very high	94.4	Very high	81 Å²	81	54 Å²	54	53%	0.526	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-65.8	170	171.7	30.2	-35.1	0	0	0	111.1	G184 Y186	P182-G184 PolarHBondContact O-N 3.28Å; P182-Y186 WeakPolarHBondContact CD-OH 3.21Å; P182-Y186 WeakPolarHBondContact O-CE2 3.42Å; P182-Y186 PolarHBondContact O-OH 2.77Å
183	T	95.9	Very high	94.6	Very high	83 Å²	83	46.9 Å²	46.9	51%	0.509	25%	0.249	S	C	.	.	S	Bend	trans	-57.6	131.5	170.7	-55.4	0	0	0	0	110.5	F136 I137 P138	F136-T183 VanDerWaalsContact O-CA 3.26Å; F136-T183 WeakPolarHBondContact O-CA 3.35Å; I137-T183 HydrophobicContact CG1-CG2 4.16Å; P138-T183 WeakPolarHBondContact CD-OG1 3.17Å
184	G	95.3	Very high	94.7	Very high	20 Å²	20	47.2 Å²	47.2	21%	0.206	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173.5	-178.2	-178.8	0	0	0	0	0	113	E135 F136 P182 Y186	E135-G184 WeakPolarHBondContact CA-O 3.36Å; F136-G184 PolarHBondContact N-O 2.98Å; F136-G184 PolarHBondContact O-N 3.29Å; P182-G184 PolarHBondContact O-N 3.28Å; G184-Y186 WeakPolarHBondContact O-CD2 3.44Å
185	H	96	Very high	94.8	Very high	119 Å²	119	42.5 Å²	42.5	55%	0.551	23%	0.226	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-91.1	126.8	175.8	-69.2	-74.9	0	0	0	110.3	E133 W134	E133-H185 HydrophobicContact CB-CB 4.23Å; W134-H185 WeakPolarHBondContact O-CA 3.24Å
186	Y	95.8	Very high	94.9	Very high	45 Å²	45	46.1 Å²	46.1	18%	0.176	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	148.1	-178	-62.8	-83.1	0	0	0	110.7	E133 W134 F136 A181 P182 G184 D190 I192 M206	E133-Y186 WeakPolarHBondContact CA-O 3.4Å; W134-Y186 PolarHBondContact N-O 3.2Å; W134-Y186 PolarHBondContact O-N 3.47Å; F136-Y186 HydrophobicContact CB-CD2 3.78Å; F136-Y186 HydrophobicContact CB-CE2 4.32Å; A181-Y186 HydrophobicContact CB-CE1 4.28Å; A181-Y186 HydrophobicContact CB-CE2 4.21Å; P182-Y186 WeakPolarHBondContact CD-OH 3.21Å; P182-Y186 WeakPolarHBondContact O-CE2 3.42Å; P182-Y186 PolarHBondContact O-OH 2.77Å; G184-Y186 WeakPolarHBondContact O-CD2 3.44Å; Y186-D190 HydrophobicContact CD1-CB 4.06Å; Y186-I192 HydrophobicContact CD1-CD1 3.91Å; Y186-I192 HydrophobicContact CD2-CD1 3.87Å; Y186-I192 HydrophobicContact CE1-CD1 4.5Å; Y186-I192 HydrophobicContact CE2-CD1 4.45Å; Y186-I192 HydrophobicContact CG-CD1 3.57Å; Y186-M206 WeakPolarHBondContact O-CE 3.27Å
187	T	95.5	Very high	94.8	Very high	22 Å²	22	48.3 Å²	48.3	14%	0.135	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	166.3	169.7	69.4	0	0	0	0	111	E133 S189 D190 M206	E133-T187 HydrophobicContact CG-CG2 3.92Å; T187-S189 PolarHBondContact O-N 2.93Å; T187-S189 VanDerWaalsContact O-N 3.14Å; T187-S189 PolarHBondContact OG1-N 3.05Å; T187-D190 WeakPolarHBondContact CB-OD2 3.45Å; T187-D190 PolarHBondContact N-OD2 3.1Å; T187-D190 PolarHBondContact O-N 3.37Å; T187-D190 PolarHBondContact OG1-N 3.12Å; T187-D190 PolarHBondContact OG1-OD2 3.02Å; T187-M206 VanDerWaalsContact O-CE 3.25Å; T187-M206 WeakPolarHBondContact O-CE 3.39Å
188	L	92.8	Very high	94.6	Very high	1 Å²	1	54.9 Å²	54.9	1%	0.005	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-13.9	175.5	-64.1	178.7	0	0	0	114.1	P93 L128 D129 M206	P93-L188 HydrophobicContact CB-CD2 4.23Å; P93-L188 HydrophobicContact CG-CD2 4.22Å; L128-L188 HydrophobicContact CB-CD1 3.41Å; L128-L188 VanDerWaalsContact CB-CD1 3.41Å; L128-L188 HydrophobicContact CD1-CD1 4.1Å; L128-L188 HydrophobicContact CG-CD1 4.4Å; D129-L188 WeakPolarHBondContact O-CD1 3.46Å; L188-M206 HydrophobicContact CD2-CB 4.16Å; L188-M206 HydrophobicContact CD2-CE 4.49Å
189	S	92.2	Very high	94.4	Very high	73 Å²	73	52.9 Å²	52.9	51%	0.51	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94	-15.2	179.1	-58.1	0	0	0	0	112.6	T187	T187-S189 PolarHBondContact O-N 2.93Å; T187-S189 VanDerWaalsContact O-N 3.14Å; T187-S189 PolarHBondContact OG1-N 3.05Å
190	D	94.7	Very high	94.3	Very high	66 Å²	66	55.8 Å²	55.8	35%	0.353	31%	0.308	S	S	.	.	S	Bend	trans	-73.5	142.8	-177.5	-66.3	-40.6	0	0	0	111.4	Y186 T187 I192 T205	Y186-D190 HydrophobicContact CD1-CB 4.06Å; T187-D190 WeakPolarHBondContact CB-OD2 3.45Å; T187-D190 PolarHBondContact N-OD2 3.1Å; T187-D190 PolarHBondContact O-N 3.37Å; T187-D190 PolarHBondContact OG1-N 3.12Å; T187-D190 PolarHBondContact OG1-OD2 3.02Å; D190-I192 PolarHBondContact O-N 3.17Å; D190-T205 WeakPolarHBondContact O-CB 3.39Å; D190-T205 WeakPolarHBondContact O-CG2 3.1Å
191	K	94.2	Very high	94.2	Very high	82 Å²	82	58 Å²	58	36%	0.357	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	123.1	176.5	-176.5	-171.8	74	-172.6	0	109.3	W179 E194 H203	W179-K191 WeakPolarHBondContact CH2-O 3.42Å; W179-K191 HydrophobicContact CZ3-CD 4.35Å; W179-K191 VanDerWaalsContact CZ3-CE 3.47Å; W179-K191 HydrophobicContact CZ3-CG 4.14Å; W179-K191 WeakPolarHBondContact CZ3-O 3.43Å; K191-E194 HydrophobicContact CD-CG 3.77Å; K191-E194 WeakPolarHBondContact CD-OE1 3.44Å; K191-E194 VanDerWaalsContact CE-OE1 3.31Å; K191-E194 WeakPolarHBondContact CE-OE1 3.31Å; K191-E194 IonicContact NZ-OE1 3.32Å; K191-E194 PolarHBondContact NZ-OE1 3.45Å; K191-H203 HydrophobicContact CD-CB 4.3Å; K191-H203 HydrophobicContact CG-CB 4.34Å
192	I	95	Very high	94.2	Very high	0 Å²	0	60 Å²	60	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	-30.9	179.5	-60.4	-56.3	0	0	0	112.3	F136 Y154 I180 A181 Y186 D190 H204 M206	F136-I192 HydrophobicContact CD1-CG2 3.86Å; F136-I192 HydrophobicContact CD2-CG2 4.07Å; F136-I192 HydrophobicContact CE1-CG2 3.37Å; F136-I192 HydrophobicContact CE2-CG2 3.61Å; F136-I192 HydrophobicContact CG-CD1 4.46Å; F136-I192 HydrophobicContact CG-CG2 4.19Å; F136-I192 HydrophobicContact CZ-CG2 3.24Å; Y154-I192 HydrophobicContact CD2-CG2 4.2Å; Y154-I192 HydrophobicContact CE2-CB 4.28Å; Y154-I192 HydrophobicContact CE2-CG2 3.66Å; I180-I192 CarbonylContact C-O 3.54Å; I180-I192 WeakPolarHBondContact CA-O 3.49Å; A181-I192 HydrophobicContact CB-CD1 4.09Å; A181-I192 HydrophobicContact CB-CG2 4.24Å; A181-I192 PolarHBondContact N-O 3.09Å; Y186-I192 HydrophobicContact CD1-CD1 3.91Å; Y186-I192 HydrophobicContact CD2-CD1 3.87Å; Y186-I192 HydrophobicContact CE1-CD1 4.5Å; Y186-I192 HydrophobicContact CE2-CD1 4.45Å; Y186-I192 HydrophobicContact CG-CD1 3.57Å; D190-I192 PolarHBondContact O-N 3.17Å; I192-H204 PolarHBondContact N-O 3.38Å; I192-M206 HydrophobicContact CD1-CG 4.35Å; I192-M206 HydrophobicContact CG1-CG 3.6Å
193	L	94.6	Very high	94.1	Very high	0 Å²	0	62 Å²	62	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	137.4	-174	-177.9	73.9	0	0	0	111.2	I148 Y154 L169 V177 I180 I195 H204	I148-L193 HydrophobicContact CD1-CD2 4.24Å; Y154-L193 HydrophobicContact CD1-CD2 3.99Å; Y154-L193 HydrophobicContact CD2-CB 4.29Å; Y154-L193 HydrophobicContact CD2-CD2 4.16Å; Y154-L193 HydrophobicContact CE1-CD2 4.29Å; Y154-L193 HydrophobicContact CE2-CB 4.19Å; Y154-L193 HydrophobicContact CE2-CD2 4.48Å; Y154-L193 HydrophobicContact CG-CD2 3.89Å; L169-L193 HydrophobicContact CD1-CD2 4.28Å; V177-L193 HydrophobicContact CG1-CD1 3.82Å; V177-L193 HydrophobicContact CG2-CD1 4.2Å; I180-L193 HydrophobicContact CB-CD1 4.13Å; I180-L193 HydrophobicContact CD1-CD1 4.34Å; I180-L193 HydrophobicContact CG1-CD1 4.32Å; L193-I195 HydrophobicContact CD2-CD1 3.7Å; L193-I195 HydrophobicContact CD2-CG1 3.87Å; L193-I195 HydrophobicContact CG-CD1 4.32Å; L193-I195 HydrophobicContact CG-CG1 3.94Å; L193-H204 HydrophobicContact CB-CB 4.17Å; L193-H204 PolarHBondContact N-O 3.2Å; L193-H204 VanDerWaalsContact N-O 3.09Å; L193-H204 PolarHBondContact O-N 3.08Å
194	E	96	Very high	94.1	Very high	26 Å²	26	59.5 Å²	59.5	12%	0.121	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	130.9	167.5	-64.1	-170.6	160.8	0	0	110	K178 W179 K191 I201 S202 H203	K178-E194 HydrophobicContact CB-CB 4.19Å; K178-E194 PolarHBondContact N-O 2.95Å; W179-E194 HydrophobicContact CB-CB 4.1Å; W179-E194 HydrophobicContact CB-CG 4.26Å; W179-E194 HydrophobicContact CE3-CG 4.13Å; W179-E194 PolarHBondContact N-O 3.38Å; W179-E194 PolarHBondContact O-N 3.22Å; K191-E194 HydrophobicContact CD-CG 3.77Å; K191-E194 WeakPolarHBondContact CD-OE1 3.44Å; K191-E194 VanDerWaalsContact CE-OE1 3.31Å; K191-E194 WeakPolarHBondContact CE-OE1 3.31Å; K191-E194 IonicContact NZ-OE1 3.32Å; K191-E194 PolarHBondContact NZ-OE1 3.45Å; E194-I201 HydrophobicContact CB-CG2 4.33Å; E194-S202 WeakPolarHBondContact CA-O 3.36Å; E194-H203 IonicContact OE1-CE1 2.67Å; E194-H203 PolarHBondContact OE1-CE1 3.44Å; E194-H203 VanDerWaalsContact OE1-CE1 3.24Å; E194-H203 IonicContact OE1-ND1 3.47Å; E194-H203 PolarHBondContact OE1-ND1 2.63Å
195	I	95.1	Very high	94.1	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	140.9	178.4	-56.8	175.1	0	0	0	108.4	I148 L169 G175 T176 L193 I201 S202	I148-I195 HydrophobicContact CG2-CD1 3.64Å; I148-I195 HydrophobicContact CG2-CG1 4.07Å; I148-I195 HydrophobicContact CG2-CG2 4.35Å; L169-I195 HydrophobicContact CD1-CD1 3.45Å; L169-I195 VanDerWaalsContact CD1-CD1 3.45Å; L169-I195 HydrophobicContact CD2-CD1 3.42Å; L169-I195 VanDerWaalsContact CD2-CD1 3.42Å; L169-I195 HydrophobicContact CG-CD1 4.09Å; G175-I195 VanDerWaalsContact CA-CG2 3.41Å; T176-I195 CarbonylContact O-C 3.56Å; T176-I195 WeakPolarHBondContact O-CA 3.4Å; L193-I195 HydrophobicContact CD2-CD1 3.7Å; L193-I195 HydrophobicContact CD2-CG1 3.87Å; L193-I195 HydrophobicContact CG-CD1 4.32Å; L193-I195 HydrophobicContact CG-CG1 3.94Å; I195-I201 CarbonylContact O-C 3.58Å; I195-I201 WeakPolarHBondContact O-CA 3.38Å; I195-S202 PolarHBondContact N-O 3.38Å; I195-S202 VanDerWaalsContact N-O 3.09Å; I195-S202 PolarHBondContact O-N 3.01Å; I195-S202 PolarHBondContact O-OG 2.79Å
196	E	95.4	Very high	94	Very high	85 Å²	85	55 Å²	55	40%	0.397	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	125.4	171.6	-175.9	174.3	-173.8	0	0	110.2	G175 T176 Q200	G175-E196 WeakPolarHBondContact CA-O 3.15Å; T176-E196 PolarHBondContact N-O 3.05Å; T176-E196 PolarHBondContact O-N 3.46Å; E196-Q200 WeakPolarHBondContact CA-O 3.28Å
197	F	93.5	Very high	93.9	Very high	86 Å²	86	54.1 Å²	54.1	38%	0.377	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	128.9	174.9	-174.9	-100.7	0	0	0	109.4	Q174 G199 Q200	Q174-F197 HydrophobicContact CG-CD2 3.82Å; Q174-F197 HydrophobicContact CG-CE2 3.69Å; Q174-F197 HydrophobicContact CG-CG 4.37Å; Q174-F197 HydrophobicContact CG-CZ 4.15Å; Q174-F197 VanDerWaalsContact NE2-CE2 3.28Å; Q174-F197 VanDerWaalsContact O-CB 3.26Å; Q174-F197 WeakPolarHBondContact O-CB 3.09Å; Q174-F197 WeakPolarHBondContact O-CG 3.32Å; F197-G199 PolarHBondContact O-N 2.67Å; F197-G199 VanDerWaalsContact O-N 3.11Å; F197-Q200 PolarHBondContact N-O 3.21Å; F197-Q200 PolarHBondContact O-N 2.76Å
198	D	91.5	Very high	93.8	Very high	140 Å²	140	53.9 Å²	53.9	75%	0.749	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.9	38	-175.9	-67.1	-17.1	0	0	0	114.2	Q200	D198-Q200 PolarHBondContact O-N 3.03Å
199	G	89.5	Confident	93.9	Very high	60 Å²	60	57.6 Å²	57.6	62%	0.619	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.1	2.2	-179.7	0	0	0	0	0	115.1	F197	F197-G199 PolarHBondContact O-N 2.67Å; F197-G199 VanDerWaalsContact O-N 3.11Å
200	Q	93.1	Very high	94.1	Very high	155 Å²	155	54.6 Å²	54.6	72%	0.724	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.6	134.3	172.4	-61.6	-174.3	13.4	0	0	110	E196 F197 D198	E196-Q200 WeakPolarHBondContact CA-O 3.28Å; F197-Q200 PolarHBondContact N-O 3.21Å; F197-Q200 PolarHBondContact O-N 2.76Å; D198-Q200 PolarHBondContact O-N 3.03Å
201	I	93.6	Very high	94.1	Very high	73 Å²	73	52.3 Å²	52.3	37%	0.374	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	121.7	177.3	-59.1	162.2	0	0	0	108.4	K178 E194 I195	K178-I201 HydrophobicContact CD-CD1 4.04Å; K178-I201 HydrophobicContact CD-CG1 4.3Å; E194-I201 HydrophobicContact CB-CG2 4.33Å; I195-I201 CarbonylContact O-C 3.58Å; I195-I201 WeakPolarHBondContact O-CA 3.38Å
202	S	93.4	Very high	94.2	Very high	44 Å²	44	48.4 Å²	48.4	31%	0.308	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	141.7	172.4	60.5	0	0	0	0	111.2	E194 I195 H204	E194-S202 WeakPolarHBondContact CA-O 3.36Å; I195-S202 PolarHBondContact N-O 3.38Å; I195-S202 VanDerWaalsContact N-O 3.09Å; I195-S202 PolarHBondContact O-N 3.01Å; I195-S202 PolarHBondContact O-OG 2.79Å; S202-H204 PolarHBondContact OG-NE2 3.39Å
203	H	94	Very high	94	Very high	121 Å²	121	50.9 Å²	50.9	56%	0.56	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102	132.8	175.7	-57.8	-54.7	0	0	0	110	K191 E194	K191-H203 HydrophobicContact CD-CB 4.3Å; K191-H203 HydrophobicContact CG-CB 4.34Å; E194-H203 IonicContact OE1-CE1 2.67Å; E194-H203 PolarHBondContact OE1-CE1 3.44Å; E194-H203 VanDerWaalsContact OE1-CE1 3.24Å; E194-H203 IonicContact OE1-ND1 3.47Å; E194-H203 PolarHBondContact OE1-ND1 2.63Å
204	H	94.4	Very high	94	Very high	32 Å²	32	55 Å²	55	15%	0.148	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	136.3	178.9	-61.1	-85.4	0	0	0	110.2	I192 L193 S202	I192-H204 PolarHBondContact N-O 3.38Å; L193-H204 HydrophobicContact CB-CB 4.17Å; L193-H204 PolarHBondContact N-O 3.2Å; L193-H204 VanDerWaalsContact N-O 3.09Å; L193-H204 PolarHBondContact O-N 3.08Å; S202-H204 PolarHBondContact OG-NE2 3.39Å
205	T	95.2	Very high	93.9	Very high	41 Å²	41	57.4 Å²	57.4	25%	0.252	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	175.5	173.7	71	0	0	0	0	109	Y154 D190 L207	Y154-T205 PolarHBondContact OH-O 2.93Å; D190-T205 WeakPolarHBondContact O-CB 3.39Å; D190-T205 WeakPolarHBondContact O-CG2 3.1Å; T205-L207 PolarHBondContact O-N 3.29Å; T205-L207 PolarHBondContact OG1-N 3.07Å; T205-L207 VanDerWaalsContact OG1-N 3.16Å; T205-L207 PolarHBondContact OG1-O 2.79Å; T205-L207 VanDerWaalsContact OG1-O 3.08Å
206	M	94.4	Very high	94	Very high	3 Å²	3	57.8 Å²	57.8	2%	0.015	31%	0.31	C	S	.	.	S	Bend	trans	-63.4	-20	171.8	-60.6	-170	-85.4	0	0	113	W134 F136 V157 I167 Y186 T187 L188 I192	W134-M206 HydrophobicContact CB-CE 4.29Å; F136-M206 HydrophobicContact CB-SD 4.35Å; F136-M206 HydrophobicContact CD2-SD 4.15Å; V157-M206 HydrophobicContact CG2-SD 3.67Å; I167-M206 HydrophobicContact CD1-CB 4.32Å; I167-M206 HydrophobicContact CG2-CB 4.5Å; Y186-M206 WeakPolarHBondContact O-CE 3.27Å; T187-M206 VanDerWaalsContact O-CE 3.25Å; T187-M206 WeakPolarHBondContact O-CE 3.39Å; L188-M206 HydrophobicContact CD2-CB 4.16Å; L188-M206 HydrophobicContact CD2-CE 4.49Å; I192-M206 HydrophobicContact CD1-CG 4.35Å; I192-M206 HydrophobicContact CG1-CG 3.6Å
207	L	94.2	Very high	94	Very high	27 Å²	27	56.1 Å²	56.1	14%	0.141	31%	0.306	C	S	.	.			trans	-91.1	130.9	179.2	-173.3	108.7	0	0	0	111	E90 L128 R130 T205 V209	E90-L207 HydrophobicContact CB-CD1 3.85Å; E90-L207 HydrophobicContact CG-CD1 4.24Å; E90-L207 HydrophobicContact CG-CD2 4.43Å; L128-L207 HydrophobicContact CB-CD1 4.5Å; L128-L207 HydrophobicContact CD1-CD1 3.83Å; L128-L207 HydrophobicContact CG-CD1 4.44Å; R130-L207 VanDerWaalsContact NH1-CD1 3.31Å; R130-L207 VanDerWaalsContact NH2-CD1 3.33Å; R130-L207 VanDerWaalsContact NH2-CD2 3.25Å; T205-L207 PolarHBondContact O-N 3.29Å; T205-L207 PolarHBondContact OG1-N 3.07Å; T205-L207 VanDerWaalsContact OG1-N 3.16Å; T205-L207 PolarHBondContact OG1-O 2.79Å; T205-L207 VanDerWaalsContact OG1-O 3.08Å; L207-V209 HydrophobicContact CD2-CG2 4.16Å
208	Q	94	Very high	94.1	Very high	17 Å²	17	54 Å²	54	8%	0.079	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	155.5	165.8	69.8	-175.5	-64.3	0	0	110.3	L91	L91-Q208 HydrophobicContact CB-CG 3.57Å; L91-Q208 HydrophobicContact CD1-CG 4.08Å; L91-Q208 HydrophobicContact CG-CG 4.3Å; L91-Q208 PolarHBondContact N-O 3.25Å; L91-Q208 PolarHBondContact O-N 3.11Å
209	V	94.4	Very high	94.2	Very high	78 Å²	78	49.9 Å²	49.9	47%	0.473	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	127.8	175.8	178.4	0	0	0	0	108.3	S88 V89 L207	S88-V209 VanDerWaalsContact CB-CG1 3.44Å; V89-V209 WeakPolarHBondContact O-CA 3.36Å; L207-V209 HydrophobicContact CD2-CG2 4.16Å
210	W	96	Very high	94.4	Very high	11 Å²	11	52.5 Å²	52.5	4%	0.042	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	133.7	-177.3	-166.7	-96.2	0	0	0	112.7	S88 V89 L91 P171 K172 V212 Q214 R216 P217 T333	S88-W210 CarbonylContact C-O 3.58Å; S88-W210 VanDerWaalsContact CA-O 3.23Å; S88-W210 WeakPolarHBondContact CA-O 3.33Å; S88-W210 WeakPolarHBondContact CB-O 3.46Å; V89-W210 PolarHBondContact N-O 2.88Å; V89-W210 PolarHBondContact O-N 3.09Å; L91-W210 HydrophobicContact CD1-CB 3.67Å; L91-W210 HydrophobicContact CD1-CG 4.48Å; P171-W210 HydrophobicContact CB-CH2 4.14Å; P171-W210 HydrophobicContact CB-CZ3 4.13Å; P171-W210 HydrophobicContact CG-CE3 4.48Å; P171-W210 HydrophobicContact CG-CH2 4.07Å; P171-W210 HydrophobicContact CG-CZ3 3.84Å; K172-W210 HydrophobicContact CG-CZ3 4.5Å; W210-V212 PolarHBondContact O-N 2.84Å; W210-Q214 PolarHBondContact NE1-O 3.45Å; W210-R216 HydrophobicContact CD2-CG 4.31Å; W210-R216 HydrophobicContact CG-CG 4.25Å; W210-R216 HydrophobicContact CZ2-CG 4.43Å; W210-P217 HydrophobicContact CH2-CG 4.34Å; W210-T333 HydrophobicContact CG-CG2 4.49Å
211	P	95.4	Very high	94.5	Very high	18 Å²	18	50.2 Å²	50.2	12%	0.117	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	129.4	177.3	-21.2	33.3	0	0	0	112.6	P86 L87 R213 Q214	P86-P211 HydrophobicContact CG-CB 3.86Å; P86-P211 HydrophobicContact CG-CG 3.92Å; L87-P211 WeakPolarHBondContact O-CA 3.16Å; P211-R213 VanDerWaalsContact C-N 3.29Å; P211-R213 PolarHBondContact O-N 3.43Å; P211-Q214 HydrophobicContact CB-CB 4.22Å; P211-Q214 HydrophobicContact CB-CG 4.14Å; P211-Q214 PolarHBondContact O-N 3.18Å
212	V	95.1	Very high	94.6	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-26.6	-173.6	-58.5	0	0	0	0	113.8	L87 V89 W210 Q214 T333 R389	L87-V212 HydrophobicContact CB-CG2 4.18Å; L87-V212 HydrophobicContact CD2-CG2 3.72Å; L87-V212 HydrophobicContact CG-CG2 3.8Å; L87-V212 PolarHBondContact O-N 3.19Å; V89-V212 HydrophobicContact CB-CG1 4.12Å; V89-V212 HydrophobicContact CG1-CG1 3.32Å; V89-V212 HydrophobicContact CG2-CG1 3.89Å; W210-V212 PolarHBondContact O-N 2.84Å; V212-Q214 VanDerWaalsContact C-N 3.34Å; V212-T333 WeakPolarHBondContact CA-OG1 3.1Å; V212-T333 PolarHBondContact O-OG1 3.15Å; V212-R389 PolarHBondContact O-NH1 2.92Å
213	R	92.2	Very high	94.5	Very high	52 Å²	52	51.1 Å²	51.1	20%	0.196	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-9.6	179.7	-60.7	-174.5	-180	-83.1	11.8	112.9	E54 P211 E325	E54-R213 IonicContact OE1-CZ 3.93Å; E54-R213 IonicContact OE1-NE 3.34Å; E54-R213 PolarHBondContact OE1-NE 3.45Å; E54-R213 IonicContact OE1-NH2 3.45Å; E54-R213 IonicContact OE2-CZ 2.71Å; E54-R213 IonicContact OE2-NE 3.66Å; E54-R213 PolarHBondContact OE2-NE 3.45Å; E54-R213 IonicContact OE2-NH2 3.66Å; E54-R213 PolarHBondContact OE2-NH2 3.38Å; P211-R213 VanDerWaalsContact C-N 3.29Å; P211-R213 PolarHBondContact O-N 3.43Å; R213-E325 IonicContact CZ-OE1 3.72Å; R213-E325 IonicContact NH1-OE1 3.88Å; R213-E325 PolarHBondContact NH1-OE1 3.32Å; R213-E325 IonicContact NH2-OE1 3.94Å; R213-E325 PolarHBondContact NH2-OE1 2.96Å; R213-E325 VanDerWaalsContact NH2-OE1 3.16Å
214	Q	93.6	Very high	94.3	Very high	86 Å²	86	45.9 Å²	45.9	40%	0.402	26%	0.255	S	S	.	.	S	Bend	trans	-101.4	117.2	176.6	-67.9	-174.5	-0.6	0	0	109.7	W210 P211 V212 R216	W210-Q214 PolarHBondContact NE1-O 3.45Å; P211-Q214 HydrophobicContact CB-CB 4.22Å; P211-Q214 HydrophobicContact CB-CG 4.14Å; P211-Q214 PolarHBondContact O-N 3.18Å; V212-Q214 VanDerWaalsContact C-N 3.34Å; Q214-R216 PolarHBondContact O-N 2.85Å
215	P	95	Very high	94.2	Very high	77 Å²	77	47.4 Å²	47.4	50%	0.5	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-56.1	139.4	171.3	-22.7	33.2	0	0	0	110.9	R389	P215-R389 HydrophobicContact CB-CG 4.23Å; P215-R389 HydrophobicContact CG-CG 4.14Å
216	R	95.9	Very high	94.1	Very high	8 Å²	8	49.1 Å²	49.1	3%	0.03	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-69.2	131.7	175.4	-68	-175.2	58.5	84.9	7.6	110.2	W210 Q214 E336 R339 D340	W210-R216 HydrophobicContact CD2-CG 4.31Å; W210-R216 HydrophobicContact CG-CG 4.25Å; W210-R216 HydrophobicContact CZ2-CG 4.43Å; Q214-R216 PolarHBondContact O-N 2.85Å; R216-E336 HydrophobicContact CB-CB 4.09Å; R216-E336 HydrophobicContact CG-CB 4.09Å; R216-E336 PolarHBondContact N-OE2 3.45Å; R216-R339 PolarHBondContact O-NH2 2.89Å; R216-D340 IonicContact CZ-OD2 2.75Å; R216-D340 VanDerWaalsContact CZ-OD2 3.27Å; R216-D340 IonicContact NE-OD2 2.69Å; R216-D340 PolarHBondContact NE-OD2 3.26Å; R216-D340 IonicContact NH2-OD2 3.98Å; R216-D340 PolarHBondContact NH2-OD2 3.45Å
217	P	95.8	Very high	94.1	Very high	50 Å²	50	49.1 Å²	49.1	33%	0.325	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-69.2	150.3	-174.9	31.3	-37.4	0	0	0	111.5	P171 W210 L396	P171-P217 HydrophobicContact CB-CG 3.44Å; P171-P217 VanDerWaalsContact CB-CG 3.44Å; P171-P217 HydrophobicContact CG-CG 3.99Å; W210-P217 HydrophobicContact CH2-CG 4.34Å; P217-L396 HydrophobicContact CB-CD1 3.76Å; P217-L396 HydrophobicContact CG-CD1 3.7Å; P217-L396 WeakPolarHBondContact O-CD1 3.45Å
218	V	94.9	Very high	94.2	Very high	40 Å²	40	48 Å²	48	24%	0.242	26%	0.264	C	S	.	.			trans	-134.1	158.5	-177.4	-61.7	0	0	0	0	109.8	K221 V393	V218-K221 HydrophobicContact CG2-CG 4.36Å; V218-V393 HydrophobicContact CB-CB 4.14Å; V218-V393 HydrophobicContact CB-CG1 4.38Å; V218-V393 HydrophobicContact CB-CG2 4.36Å; V218-V393 HydrophobicContact CG1-CB 4.05Å; V218-V393 HydrophobicContact CG1-CG1 4.1Å; V218-V393 HydrophobicContact CG1-CG2 3.86Å; V218-V393 HydrophobicContact CG2-CB 4.47Å; V218-V393 HydrophobicContact CG2-CG1 4.29Å
219	A	94.2	Very high	94.2	Very high	54 Å²	54	48.9 Å²	48.9	45%	0.446	27%	0.269	S	S	.	.	S	Bend	trans	-73.7	-47.5	178.4	0	0	0	0	0	111.3	H394 L396	A219-H394 HydrophobicContact CB-CB 4.3Å; A219-H394 WeakPolarHBondContact CB-O 3.45Å; A219-H394 PolarHBondContact N-O 3.16Å; A219-L396 HydrophobicContact CB-CD2 4.05Å
220	E	94.9	Very high	94.1	Very high	115 Å²	115	45.3 Å²	45.3	54%	0.537	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	146.2	-178.3	-170.7	179.8	-177.1	0	0	110.5	L222 V393 H394	E220-L222 HydrophobicContact CG-CD2 4.37Å; E220-V393 CarbonylContact O-C 3.54Å; E220-V393 WeakPolarHBondContact O-CA 3.43Å; E220-V393 WeakPolarHBondContact O-CB 3.28Å; E220-H394 HydrophobicContact CB-CB 4.13Å; E220-H394 PolarHBondContact N-O 3.39Å; E220-H394 PolarHBondContact O-N 2.83Å
221	K	94.9	Very high	93.8	Very high	107 Å²	107	44.8 Å²	44.8	47%	0.465	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	131.9	171.4	-75.3	-108.6	178.9	167.3	0	109.5	V218 E388 A390 V393	V218-K221 HydrophobicContact CG2-CG 4.36Å; K221-E388 PolarHBondContact NZ-O 3.05Å; K221-A390 PolarHBondContact NZ-O 2.83Å; K221-V393 HydrophobicContact CD-CG1 3.89Å; K221-V393 HydrophobicContact CG-CG1 4.2Å
222	L	94.6	Very high	93.7	Very high	43 Å²	43	44.3 Å²	44.3	23%	0.225	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	152.3	-175.4	-60.9	174.5	0	0	0	110.8	E220 R392 H394 Y403	E220-L222 HydrophobicContact CG-CD2 4.37Å; L222-R392 HydrophobicContact CB-CG 4.24Å; L222-R392 PolarHBondContact N-O 3.23Å; L222-R392 VanDerWaalsContact O-O 3.12Å; L222-H394 HydrophobicContact CD1-CB 4.32Å; L222-Y403 HydrophobicContact CD1-CD1 3.48Å; L222-Y403 VanDerWaalsContact CD1-CD1 3.48Å; L222-Y403 HydrophobicContact CD1-CE1 3.65Å
223	P	92.2	Very high	93.7	Very high	93 Å²	93	44.3 Å²	44.3	60%	0.604	24%	0.242	S	C	*	.			trans	-66	139.6	173.2	27.7	-34	0	0	0	111.3	N225	P223-N225 PolarHBondContact O-N 3.08Å
224	G	89.9	Confident	93.9	Very high	12 Å²	12	41.9 Å²	41.9	12%	0.124	23%	0.233	C	C	.	.			trans	-76	98.2	174.3	0	0	0	0	0	111.1	V242 V462	G224-V242 WeakPolarHBondContact O-CG1 3Å; G224-V462 VanDerWaalsContact O-CG1 3.25Å; G224-V462 WeakPolarHBondContact O-CG1 3.39Å
225	N	91.3	Very high	94	Very high	64 Å²	64	37.9 Å²	37.9	34%	0.342	21%	0.214	S	C	.	.			trans	-109	6.4	-175.2	62.2	-7.4	0	0	0	114.2	P223 R392	P223-N225 PolarHBondContact O-N 3.08Å; N225-R392 PolarHBondContact OD1-NH1 2.93Å
226	H	93.2	Very high	94	Very high	76 Å²	76	34.4 Å²	34.4	35%	0.352	19%	0.191	S	C	.	.	S	Bend	trans	-118.7	133.1	175.4	-70.8	61.6	0	0	0	108.9	V242 Q243 R392	H226-V242 CarbonylContact O-C 3.58Å; H226-V242 WeakPolarHBondContact O-CA 3.49Å; H226-Q243 PolarHBondContact O-N 3.07Å; H226-R392 PolarHBondContact ND1-NH1 3.29Å
227	P	95.6	Very high	94	Very high	4 Å²	4	34 Å²	34	3%	0.026	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	141.5	-179.1	28.6	-33.6	0	0	0	111.6	L229 C241 N269 L463 Y466	P227-L229 HydrophobicContact CB-CD2 4.39Å; P227-L229 HydrophobicContact CG-CD2 4.38Å; P227-L229 PolarHBondContact O-N 2.88Å; P227-C241 WeakPolarHBondContact CA-O 3.4Å; P227-N269 PolarHBondContact O-ND2 3.17Å; P227-L463 HydrophobicContact CB-CD1 4.46Å; P227-L463 HydrophobicContact CB-CD2 4.02Å; P227-L463 HydrophobicContact CG-CD2 4.43Å; P227-Y466 HydrophobicContact CG-CD1 3.83Å; P227-Y466 HydrophobicContact CG-CE1 3.46Å; P227-Y466 VanDerWaalsContact CG-CE1 3.46Å; P227-Y466 HydrophobicContact CG-CE2 4.39Å; P227-Y466 HydrophobicContact CG-CG 4.46Å
228	L	95	Very high	94	Very high	3 Å²	3	31.7 Å²	31.7	2%	0.016	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	103	163.7	178.2	67.8	0	0	0	106.8	T230 C241 Q243 L264 S270	L228-T230 PolarHBondContact O-N 3.33Å; L228-C241 HydrophobicContact CB-CB 4.35Å; L228-C241 HydrophobicContact CD2-CB 4.48Å; L228-C241 PolarHBondContact N-O 2.64Å; L228-Q243 HydrophobicContact CB-CG 4.34Å; L228-Q243 HydrophobicContact CD1-CG 4.39Å; L228-L264 HydrophobicContact CD2-CD1 4.13Å; L228-L264 HydrophobicContact CG-CD1 4.34Å; L228-S270 WeakPolarHBondContact CD1-OG 3.32Å
229	L	93.6	Very high	94	Very high	36 Å²	36	30 Å²	30	19%	0.188	16%	0.164	C	C	.	.			trans	-77.2	120.1	177.4	-62.9	178.4	0	0	0	108.1	P227 S268 N269 F536	P227-L229 HydrophobicContact CB-CD2 4.39Å; P227-L229 HydrophobicContact CG-CD2 4.38Å; P227-L229 PolarHBondContact O-N 2.88Å; L229-S268 WeakPolarHBondContact O-CA 3.26Å; L229-N269 PolarHBondContact N-OD1 2.78Å; L229-F536 HydrophobicContact CD2-CB 4.32Å; L229-F536 HydrophobicContact CD2-CD2 3.92Å; L229-F536 HydrophobicContact CD2-CG 4.32Å
230	T	92	Very high	94.1	Very high	3 Å²	3	27.5 Å²	27.5	2%	0.018	14%	0.143	C	C	.	.			trans	-91.4	-20.7	-179.7	68.7	0	0	0	0	112.2	L228 Q232 L235 D236 L264 W435	L228-T230 PolarHBondContact O-N 3.33Å; T230-Q232 VanDerWaalsContact C-N 3.27Å; T230-Q232 PolarHBondContact OG1-N 2.87Å; T230-Q232 VanDerWaalsContact OG1-N 3.16Å; T230-L235 HydrophobicContact CG2-CB 4.24Å; T230-L235 HydrophobicContact CG2-CD1 4.35Å; T230-L235 WeakPolarHBondContact OG1-CB 3.33Å; T230-D236 WeakPolarHBondContact CB-OD1 3.49Å; T230-D236 WeakPolarHBondContact CG2-OD1 3.26Å; T230-D236 PolarHBondContact N-OD1 3.35Å; T230-D236 PolarHBondContact N-OD2 3Å; T230-D236 PolarHBondContact OG1-OD1 3.29Å; T230-L264 HydrophobicContact CG2-CD1 3.57Å; T230-W435 HydrophobicContact CG2-CH2 3.75Å; T230-W435 HydrophobicContact CG2-CZ2 4.32Å
231	G	90.3	Very high	94.1	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.118	C	C	.	.	S	Bend	trans	84.8	-3.9	-172.3	0	0	0	0	0	114.2	D236 Q524 F533 C534	G231-D236 PolarHBondContact N-OD2 3.06Å; G231-Q524 PolarHBondContact O-NE2 3.46Å; G231-F533 VanDerWaalsContact CA-CD2 3.47Å; G231-C534 PolarHBondContact O-N 3.22Å
232	Q	93.8	Very high	94.1	Very high	8 Å²	8	17 Å²	17	4%	0.037	10%	0.096	C	C	.	.			trans	-98.3	127.4	176	-60.2	-61.5	-49	0	0	109.8	T230 I234 L235 D236	T230-Q232 VanDerWaalsContact C-N 3.27Å; T230-Q232 PolarHBondContact OG1-N 2.87Å; T230-Q232 VanDerWaalsContact OG1-N 3.16Å; Q232-I234 PolarHBondContact O-N 3.38Å; Q232-L235 HydrophobicContact CB-CB 4.11Å; Q232-L235 HydrophobicContact CB-CD1 3.92Å; Q232-L235 HydrophobicContact CB-CG 3.88Å; Q232-L235 HydrophobicContact CG-CD1 4.11Å; Q232-L235 PolarHBondContact O-N 3.2Å; Q232-D236 WeakPolarHBondContact O-CB 3.44Å; Q232-D236 PolarHBondContact O-N 3.14Å
233	R	95.7	Very high	94.1	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-57.9	-48.6	-175.6	-73.7	175.4	-77	-170.7	-4.5	112.9	L235 A237 D520 F521 Q523 D531 C534 T539 M542	R233-L235 VanDerWaalsContact C-N 3.34Å; R233-L235 PolarHBondContact O-N 2.96Å; R233-A237 WeakPolarHBondContact O-CB 3.16Å; R233-A237 PolarHBondContact O-N 3.5Å; R233-D520 PolarHBondContact NH1-O 2.97Å; R233-F521 HydrophobicContact CB-CE1 4.43Å; R233-F521 HydrophobicContact CB-CE2 4.34Å; R233-F521 HydrophobicContact CB-CZ 4.19Å; R233-F521 WeakPolarHBondContact CD-O 3.49Å; R233-F521 HydrophobicContact CG-CE2 4.44Å; R233-F521 PolarHBondContact NE-O 2.68Å; R233-Q523 PolarHBondContact NH2-O 3.4Å; R233-D531 IonicContact CZ-OD1 2.78Å; R233-D531 IonicContact NH2-OD1 3.64Å; R233-D531 PolarHBondContact NH2-OD1 2.9Å; R233-D531 IonicContact NH2-OD2 3.84Å; R233-D531 PolarHBondContact NH2-OD2 3.26Å; R233-C534 HydrophobicContact CG-CB 3.8Å; R233-C534 VanDerWaalsContact CG-SG 3.57Å; R233-T539 HydrophobicContact CB-CG2 4.33Å; R233-T539 HydrophobicContact CG-CG2 4.17Å; R233-M542 PolarHBondContact NH1-SD 2.77Å; R233-M542 VanDerWaalsContact NH1-SD 3.4Å
234	I	95.3	Very high	94.2	Very high	1 Å²	1	11.8 Å²	11.8	1%	0.005	6%	0.064	C	C	.	.	H	α-helix	trans	-63.1	-39.3	-179.5	-176.3	160.7	0	0	0	112.6	Q232 L238 F239 P448 V450 W452 L522	Q232-I234 PolarHBondContact O-N 3.38Å; I234-L238 HydrophobicContact CG1-CD1 4.27Å; I234-L238 WeakPolarHBondContact O-CB 3.46Å; I234-L238 PolarHBondContact O-N 3.04Å; I234-F239 HydrophobicContact CD1-CE2 4.5Å; I234-F239 HydrophobicContact CG1-CD2 4.31Å; I234-F239 HydrophobicContact CG1-CE2 4.19Å; I234-F239 PolarHBondContact O-N 3.24Å; I234-P448 HydrophobicContact CG2-CG 3.54Å; I234-V450 HydrophobicContact CD1-CB 3.72Å; I234-V450 HydrophobicContact CD1-CG1 3.9Å; I234-V450 HydrophobicContact CG1-CB 4.32Å; I234-V450 HydrophobicContact CG1-CG1 4.26Å; I234-V450 HydrophobicContact CG2-CB 4.43Å; I234-V450 HydrophobicContact CG2-CG2 4.32Å; I234-W452 HydrophobicContact CD1-CB 4.41Å; I234-W452 HydrophobicContact CD1-CE3 4.29Å; I234-L522 HydrophobicContact CB-CD2 4.02Å; I234-L522 HydrophobicContact CD1-CD1 4.49Å; I234-L522 HydrophobicContact CD1-CD2 4.01Å; I234-L522 HydrophobicContact CG1-CD2 4.04Å
235	L	95.1	Very high	94.5	Very high	1 Å²	1	11.2 Å²	11.2	1%	0.005	6%	0.058	C	C	.	.	H	α-helix	trans	-74.2	-43.7	-177.7	-57.8	-174.5	0	0	0	110.8	T230 Q232 R233 F239 P240 I260 W435 V450	T230-L235 HydrophobicContact CG2-CB 4.24Å; T230-L235 HydrophobicContact CG2-CD1 4.35Å; T230-L235 WeakPolarHBondContact OG1-CB 3.33Å; Q232-L235 HydrophobicContact CB-CB 4.11Å; Q232-L235 HydrophobicContact CB-CD1 3.92Å; Q232-L235 HydrophobicContact CB-CG 3.88Å; Q232-L235 HydrophobicContact CG-CD1 4.11Å; Q232-L235 PolarHBondContact O-N 3.2Å; R233-L235 VanDerWaalsContact C-N 3.34Å; R233-L235 PolarHBondContact O-N 2.96Å; L235-F239 CarbonylContact O-C 3.57Å; L235-F239 VanDerWaalsContact O-O 3.05Å; L235-P240 VanDerWaalsContact O-CA 3.25Å; L235-P240 WeakPolarHBondContact O-CA 3.32Å; L235-P240 VanDerWaalsContact O-N 3.12Å; L235-I260 HydrophobicContact CD1-CG2 3.87Å; L235-W435 HydrophobicContact CB-CZ2 4.12Å; L235-W435 HydrophobicContact CD1-CD2 4.3Å; L235-W435 HydrophobicContact CD1-CE3 3.92Å; L235-W435 HydrophobicContact CD1-CH2 4.1Å; L235-W435 HydrophobicContact CD1-CZ2 4.39Å; L235-W435 HydrophobicContact CD1-CZ3 3.83Å; L235-W435 HydrophobicContact CD2-CB 4.36Å; L235-W435 HydrophobicContact CD2-CD2 3.55Å; L235-W435 HydrophobicContact CD2-CE3 3.97Å; L235-W435 HydrophobicContact CD2-CG 3.7Å; L235-W435 HydrophobicContact CD2-CZ2 4.35Å; L235-W435 HydrophobicContact CG-CD2 4.42Å; L235-V450 HydrophobicContact CD2-CG1 4.5Å; L235-V450 HydrophobicContact CD2-CG2 3.79Å
236	D	95.6	Very high	94.7	Very high	4 Å²	4	8.6 Å²	8.6	2%	0.021	4%	0.044	C	C	.	.	H	α-helix	trans	-77	-30.2	-177.9	-66.7	-7.7	0	0	0	112.2	T230 G231 Q232 F536	T230-D236 WeakPolarHBondContact CB-OD1 3.49Å; T230-D236 WeakPolarHBondContact CG2-OD1 3.26Å; T230-D236 PolarHBondContact N-OD1 3.35Å; T230-D236 PolarHBondContact N-OD2 3Å; T230-D236 PolarHBondContact OG1-OD1 3.29Å; G231-D236 PolarHBondContact N-OD2 3.06Å; Q232-D236 WeakPolarHBondContact O-CB 3.44Å; Q232-D236 PolarHBondContact O-N 3.14Å; D236-F536 HydrophobicContact CB-CD2 4.25Å; D236-F536 HydrophobicContact CB-CE2 4.32Å
237	A	95.6	Very high	94.9	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-87.8	-58.7	-178.7	0	0	0	0	0	113.3	R233 F474 R478 F521 T539 M543	R233-A237 WeakPolarHBondContact O-CB 3.16Å; R233-A237 PolarHBondContact O-N 3.5Å; A237-F474 HydrophobicContact CB-CE2 4.08Å; A237-F474 HydrophobicContact CB-CZ 4.43Å; A237-F474 WeakPolarHBondContact O-CZ 3.27Å; A237-R478 WeakPolarHBondContact O-CD 3.49Å; A237-F521 HydrophobicContact CB-CE1 4.15Å; A237-F521 HydrophobicContact CB-CZ 3.9Å; A237-T539 HydrophobicContact CB-CG2 3.97Å; A237-M543 HydrophobicContact CB-SD 3.95Å
238	L	95.3	Very high	94.9	Very high	1 Å²	1	4.8 Å²	4.8	1%	0.005	3%	0.027	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87	-38	-169.9	-59.3	-173.4	0	0	0	112.5	I234 P240 W452 R478 M481 Q482 L485 L522	I234-L238 HydrophobicContact CG1-CD1 4.27Å; I234-L238 WeakPolarHBondContact O-CB 3.46Å; I234-L238 PolarHBondContact O-N 3.04Å; L238-P240 VanDerWaalsContact C-CD 3.42Å; L238-P240 WeakPolarHBondContact O-CD 3.25Å; L238-W452 HydrophobicContact CD1-CB 4.21Å; L238-R478 HydrophobicContact CD2-CG 4.29Å; L238-M481 HydrophobicContact CD2-CG 4.5Å; L238-M481 HydrophobicContact CD2-SD 4.46Å; L238-Q482 HydrophobicContact CD2-CG 3.96Å; L238-L485 HydrophobicContact CD1-CD1 4.05Å; L238-L522 HydrophobicContact CD1-CD2 3.91Å
239	F	96.2	Very high	94.8	Very high	4 Å²	4	4.7 Å²	4.7	2%	0.018	3%	0.026	C	C	.	.	S	Bend	trans	-129.2	54.6	-172.6	-48.1	-62.1	0	0	0	112.6	I234 L235 W435 V450 W452 S455	I234-F239 HydrophobicContact CD1-CE2 4.5Å; I234-F239 HydrophobicContact CG1-CD2 4.31Å; I234-F239 HydrophobicContact CG1-CE2 4.19Å; I234-F239 PolarHBondContact O-N 3.24Å; L235-F239 CarbonylContact O-C 3.57Å; L235-F239 VanDerWaalsContact O-O 3.05Å; F239-W435 PolarHBondContact O-NE1 3.03Å; F239-V450 HydrophobicContact CD2-CG1 4.2Å; F239-V450 HydrophobicContact CE2-CG1 4.24Å; F239-W452 HydrophobicContact CE2-CB 4.23Å; F239-W452 HydrophobicContact CZ-CB 4.19Å; F239-W452 WeakPolarHBondContact CZ-O 3.44Å; F239-S455 VanDerWaalsContact CE1-C 3.41Å; F239-S455 WeakPolarHBondContact CE1-O 3.47Å
240	P	95.6	Very high	94.7	Very high	2 Å²	2	3 Å²	3	1%	0.013	2%	0.017	C	C	.	.			trans	-61.4	142.7	-172	26.5	-36.1	0	0	0	111.9	L235 L238 S457 L460 L463	L235-P240 VanDerWaalsContact O-CA 3.25Å; L235-P240 WeakPolarHBondContact O-CA 3.32Å; L235-P240 VanDerWaalsContact O-N 3.12Å; L238-P240 VanDerWaalsContact C-CD 3.42Å; L238-P240 WeakPolarHBondContact O-CD 3.25Å; P240-S457 WeakPolarHBondContact O-CB 3.5Å; P240-S457 PolarHBondContact O-OG 3.32Å; P240-L460 HydrophobicContact CG-CD2 3.71Å; P240-L463 HydrophobicContact CB-CD1 3.74Å; P240-L463 HydrophobicContact CG-CD1 3.88Å
241	C	95.3	Very high	94.5	Very high	1 Å²	1	2.9 Å²	2.9	1%	0.007	2%	0.017	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	161.2	167.5	-169.7	0	0	0	0	110.1	P227 L228 T247 V433 W435	P227-C241 WeakPolarHBondContact CA-O 3.4Å; L228-C241 HydrophobicContact CB-CB 4.35Å; L228-C241 HydrophobicContact CD2-CB 4.48Å; L228-C241 PolarHBondContact N-O 2.64Å; C241-T247 PolarHBondContact SG-OG1 3.46Å; C241-V433 HydrophobicContact CB-CG2 4.32Å; C241-W435 HydrophobicContact CB-CH2 4.39Å; C241-W435 HydrophobicContact CB-CZ2 4.01Å
242	V	96	Very high	94.2	Very high	1 Å²	1	3.5 Å²	3.5	1%	0.006	2%	0.022	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	152.8	177.3	-57.8	0	0	0	0	110.2	G224 H226 G244 G245 Y459 L463	G224-V242 WeakPolarHBondContact O-CG1 3Å; H226-V242 CarbonylContact O-C 3.58Å; H226-V242 WeakPolarHBondContact O-CA 3.49Å; V242-G244 PolarHBondContact O-N 3.43Å; V242-G245 WeakPolarHBondContact O-CA 3.41Å; V242-G245 PolarHBondContact O-N 2.96Å; V242-Y459 HydrophobicContact CG1-CD1 4.07Å; V242-Y459 HydrophobicContact CG1-CD2 4.15Å; V242-Y459 HydrophobicContact CG1-CG 3.74Å; V242-Y459 HydrophobicContact CG2-CD1 3.88Å; V242-Y459 HydrophobicContact CG2-CD2 3.97Å; V242-Y459 HydrophobicContact CG2-CE1 3.77Å; V242-Y459 HydrophobicContact CG2-CE2 3.85Å; V242-Y459 HydrophobicContact CG2-CG 3.99Å; V242-L463 HydrophobicContact CG1-CD1 3.83Å; V242-L463 HydrophobicContact CG1-CD2 3.82Å; V242-L463 HydrophobicContact CG1-CG 3.76Å
243	Q	94.3	Very high	93.6	Very high	19 Å²	19	8 Å²	8	9%	0.089	4%	0.042	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	117.3	167.8	-71.9	-178.3	-30.2	0	0	108.9	H226 L228 N269	H226-Q243 PolarHBondContact O-N 3.07Å; L228-Q243 HydrophobicContact CB-CG 4.34Å; L228-Q243 HydrophobicContact CD1-CG 4.39Å; Q243-N269 PolarHBondContact NE2-ND2 2.64Å; Q243-N269 PolarHBondContact NE2-O 3.42Å
244	G	93.6	Very high	92.8	Very high	7 Å²	7	11.5 Å²	11.5	7%	0.072	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	97.1	-2.3	-168.3	0	0	0	0	0	114.8	V242 G391 V406	V242-G244 PolarHBondContact O-N 3.43Å; G244-G391 WeakPolarHBondContact O-CA 3.43Å; G244-G391 PolarHBondContact O-N 2.75Å; G244-V406 CarbonylContact C-O 3.57Å; G244-V406 VanDerWaalsContact CA-O 3.27Å; G244-V406 WeakPolarHBondContact CA-O 3.17Å
245	G	95.2	Very high	92.3	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	8%	0.078	C	C	.	.			trans	-77.5	170.2	-177.9	0	0	0	0	0	114	V242 G407 I408 Y459	V242-G245 WeakPolarHBondContact O-CA 3.41Å; V242-G245 PolarHBondContact O-N 2.96Å; G245-G407 CarbonylContact O-C 3.55Å; G245-G407 VanDerWaalsContact O-CA 3.3Å; G245-G407 WeakPolarHBondContact O-CA 3.33Å; G245-I408 PolarHBondContact O-N 3.47Å; G245-Y459 WeakPolarHBondContact CA-OH 3.46Å
246	T	96.9	Very high	91.8	Very high	9 Å²	9	12.1 Å²	12.1	6%	0.055	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	125	174.8	53.7	0	0	0	0	109.7	Y387 A390 Q432 V433 Y459	T246-Y387 HydrophobicContact CG2-CD1 4.14Å; T246-Y387 WeakPolarHBondContact CG2-O 3.25Å; T246-A390 HydrophobicContact CG2-CB 3.61Å; T246-Q432 PolarHBondContact O-N 3.17Å; T246-Q432 PolarHBondContact OG1-N 2.86Å; T246-V433 PolarHBondContact O-N 3.32Å; T246-Y459 PolarHBondContact N-OH 3.33Å
247	T	96.2	Very high	91.3	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	135.9	-178.1	-55.5	0	0	0	0	110.7	C241 I408 V409 G410 V433 W435	C241-T247 PolarHBondContact SG-OG1 3.46Å; T247-I408 PolarHBondContact N-O 3Å; T247-V409 WeakPolarHBondContact O-CA 3.46Å; T247-G410 PolarHBondContact O-N 3.49Å; T247-V433 WeakPolarHBondContact CA-O 3.47Å; T247-V433 HydrophobicContact CG2-CB 4.07Å; T247-V433 HydrophobicContact CG2-CG1 3.95Å; T247-W435 HydrophobicContact CG2-CD2 3.52Å; T247-W435 HydrophobicContact CG2-CE3 3.53Å; T247-W435 HydrophobicContact CG2-CG 4.17Å; T247-W435 HydrophobicContact CG2-CH2 3.88Å; T247-W435 HydrophobicContact CG2-CZ2 3.93Å; T247-W435 HydrophobicContact CG2-CZ3 3.69Å
248	A	95.5	Very high	90.6	Very high	1 Å²	1	14.3 Å²	14.3	1%	0.008	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	137.1	167.7	0	0	0	0	0	111	P250 G410 V412 T427 V431 V433 W435	A248-P250 WeakPolarHBondContact O-CD 3.43Å; A248-G410 CarbonylContact C-O 3.54Å; A248-G410 WeakPolarHBondContact CA-O 3.47Å; A248-V412 HydrophobicContact CB-CG2 4.42Å; A248-T427 HydrophobicContact CB-CG2 3.58Å; A248-V431 HydrophobicContact CB-CB 4.4Å; A248-V431 HydrophobicContact CB-CG1 4.11Å; A248-V431 HydrophobicContact CB-CG2 3.76Å; A248-V433 PolarHBondContact N-O 3Å; A248-W435 PolarHBondContact O-N 3.22Å
249	I	94	Very high	90.1	Very high	0 Å²	0	17 Å²	17	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	83.1	171.9	-47.9	-177.5	0	0	0	108.1	K257 I260 V409 G410 V412 W435 L437	I249-K257 HydrophobicContact CG2-CG 4.18Å; I249-I260 HydrophobicContact CD1-CB 4.27Å; I249-I260 HydrophobicContact CD1-CG2 3.65Å; I249-I260 HydrophobicContact CG2-CD1 4.43Å; I249-V409 HydrophobicContact CD1-CG1 3.47Å; I249-V409 VanDerWaalsContact CD1-CG1 3.47Å; I249-V409 HydrophobicContact CG1-CG1 3.84Å; I249-G410 PolarHBondContact N-O 2.87Å; I249-V412 PolarHBondContact O-N 2.87Å; I249-W435 HydrophobicContact CD1-CE3 3.73Å; I249-W435 HydrophobicContact CD1-CZ3 4.05Å; I249-W435 HydrophobicContact CG1-CE3 3.73Å; I249-W435 HydrophobicContact CG1-CZ3 4.4Å; I249-L437 HydrophobicContact CG2-CD1 3.73Å; I249-L437 HydrophobicContact CG2-CD2 4.3Å; I249-L437 HydrophobicContact CG2-CG 3.81Å
250	P	92.1	Very high	89.7	Confident	1 Å²	1	17.3 Å²	17.3	1%	0.006	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	147.8	171.6	36.7	-39.3	0	0	0	111.1	A248 V412 F419 T424 F434 W435 L437	A248-P250 WeakPolarHBondContact O-CD 3.43Å; P250-V412 VanDerWaalsContact CA-O 3.27Å; P250-V412 WeakPolarHBondContact CA-O 3.33Å; P250-V412 HydrophobicContact CB-CB 4.08Å; P250-F419 HydrophobicContact CB-CD1 4.24Å; P250-F419 HydrophobicContact CB-CE1 3.83Å; P250-F419 HydrophobicContact CG-CD1 4.48Å; P250-F419 HydrophobicContact CG-CE1 3.93Å; P250-T424 HydrophobicContact CB-CG2 4.45Å; P250-F434 HydrophobicContact CB-CE2 4.37Å; P250-F434 HydrophobicContact CG-CD2 4.01Å; P250-F434 HydrophobicContact CG-CE1 4.44Å; P250-F434 HydrophobicContact CG-CE2 3.26Å; P250-F434 HydrophobicContact CG-CZ 3.48Å; P250-F434 VanDerWaalsContact CG-CZ 3.48Å; P250-W435 WeakPolarHBondContact CD-O 3.37Å; P250-L437 WeakPolarHBondContact O-CB 3.48Å; P250-L437 PolarHBondContact O-N 2.87Å
251	G	87.4	Confident	89.2	Confident	1 Å²	1	17.3 Å²	17.3	1%	0.01	12%	0.115	C	C	.	.			trans	178.6	164.7	171.4	0	0	0	0	0	111.4	K257 V412	G251-K257 PolarHBondContact O-NZ 2.78Å; G251-V412 PolarHBondContact N-O 3.12Å
252	A	83.6	Confident	88.6	Confident	13 Å²	13	18.1 Å²	18.1	11%	0.107	12%	0.119	C	C	.	.			trans	-65.5	169.8	170.3	0	0	0	0	0	111.3	C255 K257 K439	A252-C255 PolarHBondContact O-N 3.1Å; A252-K257 PolarHBondContact O-NZ 3.12Å; A252-K439 HydrophobicContact CB-CD 4.36Å
253	F	80.8	Confident	88	Confident	101 Å²	101	18.5 Å²	18.5	44%	0.443	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	138.8	170.4	-63.7	-75.9	0	0	0	110.2	C255 R354	F253-C255 VanDerWaalsContact C-N 3.32Å; F253-C255 PolarHBondContact O-N 3.27Å; F253-R354 VanDerWaalsContact CZ-NH2 3.32Å
254	G	80.5	Confident	87.6	Confident	74 Å²	74	17.7 Å²	17.7	76%	0.763	12%	0.118	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.1	3.5	179.5	0	0	0	0	0	115.8	G256	G254-G256 PolarHBondContact O-N 3.09Å
255	C	84.5	Confident	87.2	Confident	2 Å²	2	17.4 Å²	17.4	1%	0.014	12%	0.115	C	C	.	.	S	Bend	trans	-71.7	-12.9	174.2	-69.8	0	0	0	0	113.6	A252 F253 L437 S449	A252-C255 PolarHBondContact O-N 3.1Å; F253-C255 VanDerWaalsContact C-N 3.32Å; F253-C255 PolarHBondContact O-N 3.27Å; C255-L437 HydrophobicContact CB-CB 3.9Å; C255-L437 HydrophobicContact CB-CD1 3.96Å; C255-S449 PolarHBondContact O-OG 2.95Å
256	G	83.9	Confident	86.5	Confident	13 Å²	13	19 Å²	19	13%	0.134	12%	0.122	C	C	.	.	S	Bend	trans	103.2	20.7	-179.2	0	0	0	0	0	115.1	G254 T258 V259 I260	G254-G256 PolarHBondContact O-N 3.09Å; G256-T258 PolarHBondContact O-N 3.31Å; G256-V259 WeakPolarHBondContact O-CB 3.28Å; G256-V259 PolarHBondContact O-N 2.93Å; G256-I260 PolarHBondContact O-N 2.77Å
257	K	85.6	Confident	85.9	Confident	13 Å²	13	21 Å²	21	6%	0.057	13%	0.129	C	C	.	.	H	α-helix	trans	-52.5	-53.9	175.3	-64.1	-171.2	-63.9	-108.8	0	112	I249 G251 A252 V259 I260 S261 A411 S413 L437	I249-K257 HydrophobicContact CG2-CG 4.18Å; G251-K257 PolarHBondContact O-NZ 2.78Å; A252-K257 PolarHBondContact O-NZ 3.12Å; K257-V259 VanDerWaalsContact C-N 3.29Å; K257-V259 PolarHBondContact O-N 2.93Å; K257-I260 PolarHBondContact O-N 3.44Å; K257-I260 VanDerWaalsContact O-N 3.13Å; K257-S261 PolarHBondContact O-N 2.82Å; K257-S261 PolarHBondContact O-OG 3.04Å; K257-A411 HydrophobicContact CD-CB 4.35Å; K257-S413 WeakPolarHBondContact CE-OG 3.4Å; K257-S413 PolarHBondContact NZ-OG 2.93Å; K257-L437 HydrophobicContact CB-CD1 4.39Å; K257-L437 HydrophobicContact CG-CD1 3.55Å
258	T	81.1	Confident	85.5	Confident	38 Å²	38	21.3 Å²	21.3	23%	0.233	13%	0.131	C	C	.	.	H	α-helix	trans	-61.7	-36.1	178.7	-44.7	0	0	0	0	111.9	G256 I260 S261 Q262 D350	G256-T258 PolarHBondContact O-N 3.31Å; T258-I260 VanDerWaalsContact C-N 3.35Å; T258-I260 PolarHBondContact O-N 3.49Å; T258-S261 PolarHBondContact O-N 3.22Å; T258-Q262 HydrophobicContact CG2-CG 4.35Å; T258-Q262 WeakPolarHBondContact O-CB 3.4Å; T258-Q262 WeakPolarHBondContact O-CG 3.21Å; T258-Q262 PolarHBondContact O-N 3.13Å; T258-D350 PolarHBondContact OG1-OD2 3.15Å
259	V	84.4	Confident	85.3	Confident	58 Å²	58	24.1 Å²	24.1	35%	0.352	15%	0.146	S	C	.	.	H	α-helix	trans	-64.4	-39.8	176.4	-179.2	0	0	0	0	111.3	G256 K257 S263	G256-V259 WeakPolarHBondContact O-CB 3.28Å; G256-V259 PolarHBondContact O-N 2.93Å; K257-V259 VanDerWaalsContact C-N 3.29Å; K257-V259 PolarHBondContact O-N 2.93Å; V259-S263 WeakPolarHBondContact O-CB 3.31Å; V259-S263 PolarHBondContact O-N 3.18Å; V259-S263 PolarHBondContact O-OG 2.83Å
260	I	88.5	Confident	85.2	Confident	9 Å²	9	24.2 Å²	24.2	5%	0.046	15%	0.147	C	C	.	.	H	α-helix	trans	-66.5	-46.8	174.5	-64.7	172.4	0	0	0	110.1	L235 I249 G256 K257 T258 Q262 S263 L264 W435 L437 P448 V450	L235-I260 HydrophobicContact CD1-CG2 3.87Å; I249-I260 HydrophobicContact CD1-CB 4.27Å; I249-I260 HydrophobicContact CD1-CG2 3.65Å; I249-I260 HydrophobicContact CG2-CD1 4.43Å; G256-I260 PolarHBondContact O-N 2.77Å; K257-I260 PolarHBondContact O-N 3.44Å; K257-I260 VanDerWaalsContact O-N 3.13Å; T258-I260 VanDerWaalsContact C-N 3.35Å; T258-I260 PolarHBondContact O-N 3.49Å; I260-Q262 VanDerWaalsContact C-N 3.34Å; I260-Q262 PolarHBondContact O-N 3.3Å; I260-S263 PolarHBondContact O-N 3.01Å; I260-S263 VanDerWaalsContact O-N 3.14Å; I260-L264 WeakPolarHBondContact O-CB 3.42Å; I260-L264 PolarHBondContact O-N 3.16Å; I260-W435 HydrophobicContact CG2-CE3 4.44Å; I260-W435 HydrophobicContact CG2-CZ3 4.36Å; I260-L437 HydrophobicContact CD1-CD1 4.19Å; I260-L437 HydrophobicContact CD1-CD2 3.66Å; I260-P448 HydrophobicContact CD1-CB 4.36Å; I260-P448 HydrophobicContact CG1-CB 4.48Å; I260-V450 HydrophobicContact CD1-CG2 4.36Å
261	S	85	Confident	85.2	Confident	3 Å²	3	27.4 Å²	27.4	2%	0.021	16%	0.163	C	C	.	.	H	α-helix	trans	-57.8	-45.9	176.8	-57.8	0	0	0	0	111.9	K257 T258 S263 L264 S265 M348	K257-S261 PolarHBondContact O-N 2.82Å; K257-S261 PolarHBondContact O-OG 3.04Å; T258-S261 PolarHBondContact O-N 3.22Å; S261-S263 PolarHBondContact O-N 2.94Å; S261-L264 PolarHBondContact O-N 3.22Å; S261-S265 PolarHBondContact O-N 3.27Å; S261-M348 WeakPolarHBondContact O-CE 3.38Å
262	Q	80.9	Confident	85.6	Confident	17 Å²	17	27.4 Å²	27.4	8%	0.079	16%	0.163	C	C	.	.	H	α-helix	trans	-63.9	-38.2	175.4	-73.7	-177.5	-2.3	0	0	112.6	T258 I260 L264 S265 K266 F292	T258-Q262 HydrophobicContact CG2-CG 4.35Å; T258-Q262 WeakPolarHBondContact O-CB 3.4Å; T258-Q262 WeakPolarHBondContact O-CG 3.21Å; T258-Q262 PolarHBondContact O-N 3.13Å; I260-Q262 VanDerWaalsContact C-N 3.34Å; I260-Q262 PolarHBondContact O-N 3.3Å; Q262-L264 VanDerWaalsContact C-N 3.34Å; Q262-S265 WeakPolarHBondContact CA-OG 3.46Å; Q262-S265 PolarHBondContact O-N 2.72Å; Q262-S265 PolarHBondContact O-OG 2.83Å; Q262-K266 WeakPolarHBondContact O-CB 3.13Å; Q262-K266 WeakPolarHBondContact O-CD 3.24Å; Q262-K266 VanDerWaalsContact O-CE 3.25Å; Q262-K266 WeakPolarHBondContact O-CE 3.38Å; Q262-K266 WeakPolarHBondContact O-CG 3.49Å; Q262-K266 PolarHBondContact O-N 3.1Å; Q262-K266 VanDerWaalsContact O-N 3.15Å; Q262-F292 HydrophobicContact CG-CE1 4.11Å
263	S	83.9	Confident	86.1	Confident	10 Å²	10	26.8 Å²	26.8	7%	0.07	16%	0.158	C	C	.	.	H	α-helix	trans	-67.6	-39.7	177.3	-60.1	0	0	0	0	110.9	V259 I260 S261 K266 Y267	V259-S263 WeakPolarHBondContact O-CB 3.31Å; V259-S263 PolarHBondContact O-N 3.18Å; V259-S263 PolarHBondContact O-OG 2.83Å; I260-S263 PolarHBondContact O-N 3.01Å; I260-S263 VanDerWaalsContact O-N 3.14Å; S261-S263 PolarHBondContact O-N 2.94Å; S263-K266 PolarHBondContact O-N 2.8Å; S263-Y267 VanDerWaalsContact O-CD2 3.24Å; S263-Y267 WeakPolarHBondContact O-CD2 3.35Å; S263-Y267 PolarHBondContact O-N 2.93Å
264	L	86.8	Confident	86.8	Confident	2 Å²	2	22 Å²	22	1%	0.01	14%	0.137	C	C	.	.	H	α-helix	trans	-65.4	-38.8	176	-174.3	77.5	0	0	0	111.6	L228 T230 I260 S261 Q262 K266 S268 M348 V409	L228-L264 HydrophobicContact CD2-CD1 4.13Å; L228-L264 HydrophobicContact CG-CD1 4.34Å; T230-L264 HydrophobicContact CG2-CD1 3.57Å; I260-L264 WeakPolarHBondContact O-CB 3.42Å; I260-L264 PolarHBondContact O-N 3.16Å; S261-L264 PolarHBondContact O-N 3.22Å; Q262-L264 VanDerWaalsContact C-N 3.34Å; L264-K266 VanDerWaalsContact C-N 3.32Å; L264-K266 PolarHBondContact O-N 3.25Å; L264-S268 WeakPolarHBondContact O-CB 3.45Å; L264-S268 PolarHBondContact O-N 2.98Å; L264-S268 VanDerWaalsContact O-N 3.1Å; L264-S268 PolarHBondContact O-OG 3.06Å; L264-M348 HydrophobicContact CB-CE 3.78Å; L264-M348 HydrophobicContact CD2-CE 3.63Å; L264-M348 HydrophobicContact CD2-CG 4.37Å; L264-M348 HydrophobicContact CG-CE 3.67Å; L264-V409 HydrophobicContact CD2-CB 4.08Å; L264-V409 HydrophobicContact CD2-CG1 4.3Å; L264-V409 HydrophobicContact CD2-CG2 3.51Å
265	S	84.6	Confident	87.5	Confident	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-68	-33.7	176.8	63.9	0	0	0	0	112.7	S261 Q262 F292 R309 M348	S261-S265 PolarHBondContact O-N 3.27Å; Q262-S265 WeakPolarHBondContact CA-OG 3.46Å; Q262-S265 PolarHBondContact O-N 2.72Å; Q262-S265 PolarHBondContact O-OG 2.83Å; S265-F292 WeakPolarHBondContact OG-CZ 3.26Å; S265-R309 PolarHBondContact O-NH2 3.3Å; S265-M348 VanDerWaalsContact CA-CE 3.46Å
266	K	81.3	Confident	88	Confident	35 Å²	35	18.5 Å²	18.5	15%	0.152	10%	0.101	C	C	.	.	H	α-helix	trans	-74.1	-53.3	179.5	-70.1	170.3	-147.8	-160.2	0	112.1	Q262 S263 L264 L295 I306 R309	Q262-K266 WeakPolarHBondContact O-CB 3.13Å; Q262-K266 WeakPolarHBondContact O-CD 3.24Å; Q262-K266 VanDerWaalsContact O-CE 3.25Å; Q262-K266 WeakPolarHBondContact O-CE 3.38Å; Q262-K266 WeakPolarHBondContact O-CG 3.49Å; Q262-K266 PolarHBondContact O-N 3.1Å; Q262-K266 VanDerWaalsContact O-N 3.15Å; S263-K266 PolarHBondContact O-N 2.8Å; L264-K266 VanDerWaalsContact C-N 3.32Å; L264-K266 PolarHBondContact O-N 3.25Å; K266-L295 HydrophobicContact CD-CD1 3.74Å; K266-L295 HydrophobicContact CD-CD2 4.07Å; K266-L295 HydrophobicContact CD-CG 4.5Å; K266-L295 HydrophobicContact CG-CD1 3.92Å; K266-I306 HydrophobicContact CG-CD1 4.25Å; K266-R309 PolarHBondContact O-NH2 2.93Å
267	Y	84.5	Confident	88.4	Confident	50 Å²	50	17.9 Å²	17.9	20%	0.196	9%	0.094	C	C	.	.	H	α-helix	trans	-111.6	-1.7	-161.5	-51.8	-62.5	0	0	0	114.6	S263 R532 F533	S263-Y267 VanDerWaalsContact O-CD2 3.24Å; S263-Y267 WeakPolarHBondContact O-CD2 3.35Å; S263-Y267 PolarHBondContact O-N 2.93Å; Y267-R532 WeakPolarHBondContact CD2-O 3.38Å; Y267-R532 HydrophobicContact CE1-CG 4.31Å; Y267-R532 HydrophobicContact CE2-CB 4.21Å; Y267-R532 WeakPolarHBondContact CE2-O 3.3Å; Y267-R532 WeakPolarHBondContact OH-CB 3.25Å; Y267-R532 WeakPolarHBondContact OH-CD 3.47Å; Y267-F533 VanDerWaalsContact CB-CD2 3.49Å; Y267-F533 HydrophobicContact CD1-CB 3.76Å; Y267-F533 HydrophobicContact CD1-CD2 4.31Å; Y267-F533 HydrophobicContact CD1-CG 4.2Å; Y267-F533 HydrophobicContact CD2-CB 4.39Å; Y267-F533 HydrophobicContact CE1-CB 4.14Å; Y267-F533 HydrophobicContact CG-CB 3.92Å; Y267-F533 AromaticContact CG-CD2 3.98Å; Y267-F533 HydrophobicContact CG-CD2 3.98Å; Y267-F533 HydrophobicContact CG-CG 4.27Å
268	S	87.5	Confident	88.8	Confident	6 Å²	6	17.3 Å²	17.3	4%	0.042	9%	0.092	C	C	.	.			trans	-66.2	149.2	177.8	67	0	0	0	0	112.4	L229 L264 S270	L229-S268 WeakPolarHBondContact O-CA 3.26Å; L264-S268 WeakPolarHBondContact O-CB 3.45Å; L264-S268 PolarHBondContact O-N 2.98Å; L264-S268 VanDerWaalsContact O-N 3.1Å; L264-S268 PolarHBondContact O-OG 3.06Å; S268-S270 PolarHBondContact O-N 3.39Å; S268-S270 PolarHBondContact OG-OG 3.44Å
269	N	90.2	Very high	89.1	Confident	60 Å²	60	15.7 Å²	15.7	32%	0.321	8%	0.082	S	C	.	.	S	Bend	trans	-75.5	33.3	169.1	63.3	-25.7	0	0	0	112.3	P227 L229 Q243	P227-N269 PolarHBondContact O-ND2 3.17Å; L229-N269 PolarHBondContact N-OD1 2.78Å; Q243-N269 PolarHBondContact NE2-ND2 2.64Å; Q243-N269 PolarHBondContact NE2-O 3.42Å
270	S	92	Very high	89.2	Confident	3 Å²	3	13.5 Å²	13.5	2%	0.021	7%	0.069	C	C	.	.			trans	-96.3	142.8	173.8	-54.1	0	0	0	0	110.1	L228 S268 R309 N344 S346	L228-S270 WeakPolarHBondContact CD1-OG 3.32Å; S268-S270 PolarHBondContact O-N 3.39Å; S268-S270 PolarHBondContact OG-OG 3.44Å; S270-R309 PolarHBondContact O-NH1 3.47Å; S270-N344 CarbonylContact C-O 3.48Å; S270-S346 WeakPolarHBondContact OG-CB 3.22Å
271	D	93.2	Very high	89	Confident	67 Å²	67	19.7 Å²	19.7	36%	0.358	9%	0.091	S	C	.	.	S	Bend	trans	-76.6	-40.1	-179.1	-55.4	-47.9	0	0	0	110.7	Y343 N344	D271-Y343 HydrophobicContact CB-CD1 3.6Å; D271-Y343 HydrophobicContact CB-CE1 4.48Å; D271-Y343 HydrophobicContact CB-CG 4.16Å; D271-N344 PolarHBondContact N-O 3.22Å; D271-N344 PolarHBondContact OD2-N 2.94Å; D271-N344 PolarHBondContact OD2-ND2 3.44Å
272	I	94.9	Very high	89	Confident	1 Å²	1	21.2 Å²	21.2	1%	0.005	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	140.2	-179.4	-57.2	-66.5	0	0	0	110.1	V96 V163 V274 R309 F338 Y343 N344 V345 S346	V96-I272 HydrophobicContact CG1-CD1 4.33Å; V163-I272 HydrophobicContact CG1-CD1 4.08Å; V163-I272 HydrophobicContact CG2-CD1 3.57Å; I272-V274 HydrophobicContact CG2-CG2 4.41Å; I272-R309 WeakPolarHBondContact CA-O 3.4Å; I272-R309 HydrophobicContact CD1-CB 4.38Å; I272-F338 HydrophobicContact CB-CB 4.45Å; I272-F338 HydrophobicContact CB-CG 4.47Å; I272-F338 HydrophobicContact CD1-CD1 4.36Å; I272-F338 HydrophobicContact CG1-CB 4.28Å; I272-F338 HydrophobicContact CG1-CD1 4.07Å; I272-F338 HydrophobicContact CG1-CG 4.19Å; I272-F338 HydrophobicContact CG2-CB 4.33Å; I272-F338 HydrophobicContact CG2-CD1 4.44Å; I272-F338 HydrophobicContact CG2-CD2 3.89Å; I272-F338 HydrophobicContact CG2-CE2 4.3Å; I272-F338 HydrophobicContact CG2-CG 3.98Å; I272-Y343 HydrophobicContact CG1-CD2 4.39Å; I272-Y343 HydrophobicContact CG1-CG 4.27Å; I272-N344 PolarHBondContact N-O 3.26Å; I272-V345 HydrophobicContact CB-CG1 4.28Å; I272-V345 HydrophobicContact CB-CG2 4.27Å; I272-V345 HydrophobicContact CG2-CG1 4.26Å; I272-V345 WeakPolarHBondContact O-CA 3.33Å; I272-S346 PolarHBondContact O-N 3.23Å
273	I	94.7	Very high	89.2	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	133.3	173.8	-53.5	-61.6	0	0	0	109.7	R309 T310 A311 S346 M348	I273-R309 PolarHBondContact N-O 3.25Å; I273-T310 HydrophobicContact CB-CG2 4.12Å; I273-T310 HydrophobicContact CG2-CG2 4.21Å; I273-T310 CarbonylContact O-C 2.97Å; I273-T310 VanDerWaalsContact O-CA 3.27Å; I273-T310 WeakPolarHBondContact O-CA 3.41Å; I273-A311 PolarHBondContact O-N 3.41Å; I273-S346 WeakPolarHBondContact CA-O 3Å; I273-M348 HydrophobicContact CD1-CE 4.35Å; I273-M348 HydrophobicContact CG2-CE 3.82Å; I273-M348 HydrophobicContact CG2-SD 4.18Å
274	V	95.6	Very high	89.1	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	113	170.2	-178.1	0	0	0	0	108.5	I272 V276 A311 S335 V345 S346 M347 M348	I272-V274 HydrophobicContact CG2-CG2 4.41Å; V274-V276 HydrophobicContact CG1-CG2 4.34Å; V274-A311 WeakPolarHBondContact CA-O 3.48Å; V274-S335 WeakPolarHBondContact CB-OG 3.39Å; V274-S335 WeakPolarHBondContact CG2-OG 3.37Å; V274-V345 HydrophobicContact CG2-CG1 4.06Å; V274-S346 PolarHBondContact N-O 2.73Å; V274-M347 CarbonylContact O-C 3.45Å; V274-M347 VanDerWaalsContact O-CA 3.29Å; V274-M347 WeakPolarHBondContact O-CA 3.42Å; V274-M348 PolarHBondContact O-N 3.07Å
275	Y	94.3	Very high	89	Confident	4 Å²	4	28.7 Å²	28.7	2%	0.016	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	123.7	179.5	-175.2	-83.4	0	0	0	110	M285 V288 A311 L312 V313 M348 D350	Y275-M285 HydrophobicContact CE1-CE 4.19Å; Y275-M285 HydrophobicContact CE1-SD 3.99Å; Y275-V288 HydrophobicContact CE1-CG1 4.41Å; Y275-A311 PolarHBondContact N-O 3.1Å; Y275-L312 HydrophobicContact CD1-CD2 4.32Å; Y275-L312 HydrophobicContact CG-CD2 4.21Å; Y275-L312 WeakPolarHBondContact O-CA 3.35Å; Y275-V313 PolarHBondContact O-N 2.94Å; Y275-M348 HydrophobicContact CD2-CB 3.76Å; Y275-M348 HydrophobicContact CD2-CG 4.47Å; Y275-M348 HydrophobicContact CD2-SD 3.86Å; Y275-M348 HydrophobicContact CE2-CB 4.31Å; Y275-D350 PolarHBondContact OH-OD2 2.74Å
276	V	94.8	Very high	89.1	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	108.2	178.6	-173.4	0	0	0	0	109.3	V274 C278 V313 I328 M347 M348 D350	V274-V276 HydrophobicContact CG1-CG2 4.34Å; V276-C278 PolarHBondContact O-N 2.72Å; V276-V313 CarbonylContact C-O 3.57Å; V276-V313 WeakPolarHBondContact CA-O 3.33Å; V276-V313 HydrophobicContact CB-CB 4.43Å; V276-V313 HydrophobicContact CG1-CB 4.18Å; V276-V313 HydrophobicContact CG1-CG1 4.25Å; V276-V313 HydrophobicContact CG2-CB 4.15Å; V276-V313 HydrophobicContact CG2-CG2 4.37Å; V276-I328 HydrophobicContact CG1-CD1 4.04Å; V276-M347 HydrophobicContact CB-CE 4.4Å; V276-M347 HydrophobicContact CG2-CE 3.67Å; V276-M348 PolarHBondContact N-O 3.29Å; V276-D350 PolarHBondContact O-N 3.46Å
277	G	92.9	Very high	89.3	Confident	0 Å²	0	34 Å²	34	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	95.9	169.7	0	0	0	0	0	110.4	V313 N315 D350	G277-V313 PolarHBondContact N-O 3.47Å; G277-N315 CarbonylContact O-C 3.6Å; G277-N315 VanDerWaalsContact O-CA 3.3Å; G277-N315 WeakPolarHBondContact O-CA 3.38Å; G277-N315 WeakPolarHBondContact O-CB 3.47Å; G277-N315 PolarHBondContact O-N 2.72Å; G277-D350 CarbonylContact C-O 3.52Å; G277-D350 WeakPolarHBondContact CA-O 3.12Å
278	C	93.2	Very high	89.2	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	106.4	178	172.2	0	0	0	0	111.1	V276 E280 I328 D350 S351 R354	V276-C278 PolarHBondContact O-N 2.72Å; C278-E280 VanDerWaalsContact C-N 3.27Å; C278-E280 PolarHBondContact O-N 3.5Å; C278-I328 HydrophobicContact CB-CD1 3.87Å; C278-I328 HydrophobicContact CB-CG1 4.3Å; C278-D350 PolarHBondContact N-O 2.64Å; C278-S351 PolarHBondContact O-N 3.3Å; C278-S351 VanDerWaalsContact O-N 3.14Å; C278-R354 VanDerWaalsContact O-CB 3.24Å; C278-R354 WeakPolarHBondContact O-CB 3.31Å
279	G	88.2	Confident	89	Confident	4 Å²	4	33.9 Å²	33.9	4%	0.041	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	71.6	19.4	175.8	0	0	0	0	0	114.4	N315	G279-N315 WeakPolarHBondContact CA-O 3.34Å; G279-N315 PolarHBondContact N-O 3.32Å
280	E	85.7	Confident	88.9	Confident	13 Å²	13	38 Å²	38	6%	0.061	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	161.4	-179.5	-67.1	-54	130.8	0	0	112.5	C278 M285 T316 S317 D350 S351	C278-E280 VanDerWaalsContact C-N 3.27Å; C278-E280 PolarHBondContact O-N 3.5Å; E280-M285 HydrophobicContact CB-CG 4.04Å; E280-M285 HydrophobicContact CB-SD 4.26Å; E280-T316 CarbonylContact O-C 3.6Å; E280-T316 WeakPolarHBondContact O-CA 3.23Å; E280-S317 PolarHBondContact O-N 2.94Å; E280-D350 WeakPolarHBondContact CG-O 3.49Å; E280-D350 VanDerWaalsContact OE1-C 3.29Å; E280-S351 VanDerWaalsContact OE1-CB 3.23Å; E280-S351 WeakPolarHBondContact OE1-CB 3.37Å; E280-S351 PolarHBondContact OE1-N 3.48Å
281	R	85.2	Confident	88.5	Confident	138 Å²	138	39.5 Å²	39.5	52%	0.521	20%	0.199	S	C	.	.			trans	-68.6	141.4	177.1	-61.2	-170.7	-179.4	118.9	-6.2	109.8	N283 E284 M285	R281-N283 PolarHBondContact O-N 2.98Å; R281-N283 VanDerWaalsContact O-N 3.13Å; R281-E284 HydrophobicContact CB-CB 4.42Å; R281-E284 HydrophobicContact CB-CG 4.14Å; R281-E284 IonicContact CZ-OE1 2.82Å; R281-E284 PolarHBondContact N-OE2 2.85Å; R281-E284 IonicContact NH1-OE1 3.45Å; R281-E284 PolarHBondContact NH1-OE1 2.74Å; R281-E284 PolarHBondContact O-N 2.74Å; R281-M285 PolarHBondContact O-N 2.85Å; R281-M285 VanDerWaalsContact O-N 3.08Å
282	G	84.2	Confident	87.9	Confident	36 Å²	36	36.3 Å²	36.3	37%	0.371	18%	0.182	S	C	.	.	H	α-helix	trans	-55.5	-33.2	177.9	0	0	0	0	0	113.6	S286	G282-S286 WeakPolarHBondContact O-CB 3.28Å; G282-S286 PolarHBondContact O-N 3.17Å; G282-S286 PolarHBondContact O-OG 3.44Å
283	N	85.8	Confident	87.4	Confident	131 Å²	131	39.3 Å²	39.3	70%	0.701	20%	0.201	S	C	*	.	H	α-helix	trans	-71	-35.5	177	-66.6	-11.5	0	0	0	113.4	R281 S286 E287	R281-N283 PolarHBondContact O-N 2.98Å; R281-N283 VanDerWaalsContact O-N 3.13Å; N283-S286 WeakPolarHBondContact CA-OG 3.45Å; N283-S286 PolarHBondContact O-N 2.98Å; N283-S286 PolarHBondContact O-OG 3.2Å; N283-E287 WeakPolarHBondContact O-CB 3.36Å; N283-E287 PolarHBondContact O-N 3.26Å
284	E	81.3	Confident	86.9	Confident	51 Å²	51	46.4 Å²	46.4	24%	0.238	23%	0.234	C	C	.	.	H	α-helix	trans	-73	-39.2	179.1	-68.1	162.3	-177.7	0	0	109.4	R281 E287 V288	R281-E284 HydrophobicContact CB-CB 4.42Å; R281-E284 HydrophobicContact CB-CG 4.14Å; R281-E284 IonicContact CZ-OE1 2.82Å; R281-E284 PolarHBondContact N-OE2 2.85Å; R281-E284 IonicContact NH1-OE1 3.45Å; R281-E284 PolarHBondContact NH1-OE1 2.74Å; R281-E284 PolarHBondContact O-N 2.74Å; E284-E287 PolarHBondContact O-N 3.47Å; E284-V288 WeakPolarHBondContact O-CG2 3.41Å; E284-V288 PolarHBondContact O-N 3.18Å; E284-V288 VanDerWaalsContact O-N 3.11Å
285	M	85	Confident	86.1	Confident	4 Å²	4	48.3 Å²	48.3	2%	0.02	24%	0.244	C	C	.	.	H	α-helix	trans	-65.4	-39.6	171	-72.1	-53.8	-52.7	0	0	112.4	Y275 E280 R281 E287 V288 L289 A314 T316	Y275-M285 HydrophobicContact CE1-CE 4.19Å; Y275-M285 HydrophobicContact CE1-SD 3.99Å; E280-M285 HydrophobicContact CB-CG 4.04Å; E280-M285 HydrophobicContact CB-SD 4.26Å; R281-M285 PolarHBondContact O-N 2.85Å; R281-M285 VanDerWaalsContact O-N 3.08Å; M285-E287 VanDerWaalsContact C-N 3.34Å; M285-V288 PolarHBondContact O-N 2.8Å; M285-L289 WeakPolarHBondContact O-CB 3.45Å; M285-L289 WeakPolarHBondContact O-CG 3.39Å; M285-L289 PolarHBondContact O-N 3.43Å; M285-A314 HydrophobicContact CE-CB 3.74Å; M285-T316 HydrophobicContact CB-CG2 4.31Å; M285-T316 HydrophobicContact CG-CG2 4.14Å
286	S	86.5	Confident	85.5	Confident	62 Å²	62	51.8 Å²	51.8	43%	0.434	27%	0.266	S	S	.	.	H	α-helix	trans	-68.1	-34.1	177.9	69.8	0	0	0	0	112.7	G282 N283 L289 R290	G282-S286 WeakPolarHBondContact O-CB 3.28Å; G282-S286 PolarHBondContact O-N 3.17Å; G282-S286 PolarHBondContact O-OG 3.44Å; N283-S286 WeakPolarHBondContact CA-OG 3.45Å; N283-S286 PolarHBondContact O-N 2.98Å; N283-S286 PolarHBondContact O-OG 3.2Å; S286-L289 PolarHBondContact O-N 3.22Å; S286-R290 WeakPolarHBondContact O-CB 3.43Å; S286-R290 PolarHBondContact O-N 3.04Å
287	E	84.8	Confident	84.8	Confident	84 Å²	84	52.8 Å²	52.8	39%	0.393	27%	0.272	S	S	.	.	H	α-helix	trans	-61.3	-48.2	171.2	-177.2	174.8	-166.8	0	0	111	N283 E284 M285 L289 R290 D291	N283-E287 WeakPolarHBondContact O-CB 3.36Å; N283-E287 PolarHBondContact O-N 3.26Å; E284-E287 PolarHBondContact O-N 3.47Å; M285-E287 VanDerWaalsContact C-N 3.34Å; E287-L289 VanDerWaalsContact C-N 3.32Å; E287-L289 PolarHBondContact O-N 3.4Å; E287-R290 PolarHBondContact O-N 3.4Å; E287-D291 VanDerWaalsContact O-CB 3.32Å; E287-D291 WeakPolarHBondContact O-CB 3.49Å; E287-D291 PolarHBondContact O-N 2.86Å
288	V	82.8	Confident	84	Confident	1 Å²	1	59 Å²	59	1%	0.006	30%	0.301	C	S	.	.	H	α-helix	trans	-56.4	-45.7	173.6	164.8	0	0	0	0	111.5	Y275 E284 M285 R290 F292 L312	Y275-V288 HydrophobicContact CE1-CG1 4.41Å; E284-V288 WeakPolarHBondContact O-CG2 3.41Å; E284-V288 PolarHBondContact O-N 3.18Å; E284-V288 VanDerWaalsContact O-N 3.11Å; M285-V288 PolarHBondContact O-N 2.8Å; V288-R290 VanDerWaalsContact C-N 3.34Å; V288-R290 PolarHBondContact O-N 3.44Å; V288-F292 HydrophobicContact CB-CD1 4.42Å; V288-F292 HydrophobicContact CB-CE1 4.22Å; V288-F292 HydrophobicContact CG1-CD1 3.82Å; V288-F292 HydrophobicContact CG1-CE1 3.59Å; V288-F292 HydrophobicContact CG1-CE2 4.34Å; V288-F292 HydrophobicContact CG1-CG 4.29Å; V288-F292 HydrophobicContact CG1-CZ 3.86Å; V288-F292 HydrophobicContact CG2-CE1 4.26Å; V288-F292 VanDerWaalsContact O-CB 3.29Å; V288-F292 WeakPolarHBondContact O-CB 3.49Å; V288-F292 WeakPolarHBondContact O-CD1 3.32Å; V288-F292 WeakPolarHBondContact O-CG 3.47Å; V288-F292 PolarHBondContact O-N 3.45Å; V288-L312 HydrophobicContact CG1-CD1 4.48Å
289	L	84.5	Confident	83.2	Confident	53 Å²	53	61.4 Å²	61.4	28%	0.277	32%	0.316	S	S	.	.	H	α-helix	trans	-67.9	-29.9	-179.3	-69.8	176.5	0	0	0	113.9	I99 M285 S286 E287 P293 L312	I99-L289 HydrophobicContact CD1-CD2 3.49Å; I99-L289 VanDerWaalsContact CD1-CD2 3.49Å; I99-L289 HydrophobicContact CG1-CD2 3.79Å; I99-L289 HydrophobicContact CG2-CD2 3.97Å; M285-L289 WeakPolarHBondContact O-CB 3.45Å; M285-L289 WeakPolarHBondContact O-CG 3.39Å; M285-L289 PolarHBondContact O-N 3.43Å; S286-L289 PolarHBondContact O-N 3.22Å; E287-L289 VanDerWaalsContact C-N 3.32Å; E287-L289 PolarHBondContact O-N 3.4Å; L289-P293 WeakPolarHBondContact O-CD 3.42Å; L289-P293 VanDerWaalsContact O-CG 3.3Å; L289-P293 WeakPolarHBondContact O-CG 3.14Å; L289-L312 HydrophobicContact CD2-CD1 3.5Å
290	R	87.3	Confident	82.5	Confident	147 Å²	147	69 Å²	69	56%	0.555	36%	0.356	S	S	*	.	H	α-helix	trans	-79.4	-46	176.1	-177	-169.8	64.6	-155.8	-6.8	111.2	S286 E287 V288 P293	S286-R290 WeakPolarHBondContact O-CB 3.43Å; S286-R290 PolarHBondContact O-N 3.04Å; E287-R290 PolarHBondContact O-N 3.4Å; V288-R290 VanDerWaalsContact C-N 3.34Å; V288-R290 PolarHBondContact O-N 3.44Å; R290-P293 WeakPolarHBondContact O-CD 3.45Å
291	D	83.1	Confident	82	Confident	34 Å²	34	71.1 Å²	71.1	18%	0.182	38%	0.381	C	S	.	.	H	α-helix	trans	-77.8	-34.2	-170.7	-64.9	5.2	0	0	0	111.5	E287 E294 L295	E287-D291 VanDerWaalsContact O-CB 3.32Å; E287-D291 WeakPolarHBondContact O-CB 3.49Å; E287-D291 PolarHBondContact O-N 2.86Å; D291-E294 PolarHBondContact O-N 2.88Å; D291-L295 WeakPolarHBondContact O-CD1 3.42Å; D291-L295 WeakPolarHBondContact O-CG 3.48Å; D291-L295 PolarHBondContact O-N 3.17Å
292	F	81.8	Confident	81.9	Confident	0 Å²	0	71.3 Å²	71.3	0%	0	39%	0.385	C	S	.	.	H	α-helix	trans	-61.5	-45.5	-177.1	-83.4	43.6	0	0	0	113.9	Q262 S265 V288 E294 L295 I306 M307 T310 L312	Q262-F292 HydrophobicContact CG-CE1 4.11Å; S265-F292 WeakPolarHBondContact OG-CZ 3.26Å; V288-F292 HydrophobicContact CB-CD1 4.42Å; V288-F292 HydrophobicContact CB-CE1 4.22Å; V288-F292 HydrophobicContact CG1-CD1 3.82Å; V288-F292 HydrophobicContact CG1-CE1 3.59Å; V288-F292 HydrophobicContact CG1-CE2 4.34Å; V288-F292 HydrophobicContact CG1-CG 4.29Å; V288-F292 HydrophobicContact CG1-CZ 3.86Å; V288-F292 HydrophobicContact CG2-CE1 4.26Å; V288-F292 VanDerWaalsContact O-CB 3.29Å; V288-F292 WeakPolarHBondContact O-CB 3.49Å; V288-F292 WeakPolarHBondContact O-CD1 3.32Å; V288-F292 WeakPolarHBondContact O-CG 3.47Å; V288-F292 PolarHBondContact O-N 3.45Å; F292-E294 VanDerWaalsContact C-N 3.28Å; F292-E294 PolarHBondContact O-N 3.24Å; F292-L295 PolarHBondContact O-N 3.16Å; F292-I306 HydrophobicContact CB-CD1 4.2Å; F292-I306 HydrophobicContact CB-CG1 4.45Å; F292-I306 HydrophobicContact CD2-CD1 3.99Å; F292-I306 HydrophobicContact CG-CD1 3.99Å; F292-I306 WeakPolarHBondContact O-CG1 3.46Å; F292-M307 HydrophobicContact CB-CG 3.97Å; F292-M307 HydrophobicContact CB-SD 3.5Å; F292-M307 WeakPolarHBondContact CB-SD 3.25Å; F292-M307 HydrophobicContact CD2-SD 4.1Å; F292-M307 HydrophobicContact CG-SD 4.3Å; F292-T310 HydrophobicContact CD2-CG2 4.14Å; F292-T310 HydrophobicContact CE2-CG2 4.11Å; F292-L312 HydrophobicContact CD2-CD2 4.15Å; F292-L312 HydrophobicContact CE2-CD2 4.02Å
293	P	84.1	Confident	81.9	Confident	63 Å²	63	74.7 Å²	74.7	41%	0.409	39%	0.391	S	S	.	.	H	α-helix	trans	-59.4	-35.2	175.8	-26.1	33.7	0	0	0	114.3	L289 R290 L295 S305 M307	L289-P293 WeakPolarHBondContact O-CD 3.42Å; L289-P293 VanDerWaalsContact O-CG 3.3Å; L289-P293 WeakPolarHBondContact O-CG 3.14Å; R290-P293 WeakPolarHBondContact O-CD 3.45Å; P293-L295 VanDerWaalsContact C-N 3.27Å; P293-L295 PolarHBondContact O-N 3.39Å; P293-S305 PolarHBondContact O-OG 2.87Å; P293-M307 HydrophobicContact CB-CG 4.26Å; P293-M307 HydrophobicContact CG-CG 3.93Å
294	E	83.5	Confident	81.8	Confident	149 Å²	149	70 Å²	70	70%	0.696	37%	0.365	S	S	*	.	H	α-helix	trans	-74.1	-18.5	-178.5	-64.7	-175.4	177.4	0	0	113.1	D291 F292	D291-E294 PolarHBondContact O-N 2.88Å; F292-E294 VanDerWaalsContact C-N 3.28Å; F292-E294 PolarHBondContact O-N 3.24Å
295	L	78.7	Confident	82.2	Confident	41 Å²	41	68.8 Å²	68.8	22%	0.215	36%	0.363	C	S	.	.			trans	-84.7	126.6	-177.1	-68.3	163.3	0	0	0	110.9	K266 D291 F292 P293 S305 I306	K266-L295 HydrophobicContact CD-CD1 3.74Å; K266-L295 HydrophobicContact CD-CD2 4.07Å; K266-L295 HydrophobicContact CD-CG 4.5Å; K266-L295 HydrophobicContact CG-CD1 3.92Å; D291-L295 WeakPolarHBondContact O-CD1 3.42Å; D291-L295 WeakPolarHBondContact O-CG 3.48Å; D291-L295 PolarHBondContact O-N 3.17Å; F292-L295 PolarHBondContact O-N 3.16Å; P293-L295 VanDerWaalsContact C-N 3.27Å; P293-L295 PolarHBondContact O-N 3.39Å; L295-S305 WeakPolarHBondContact O-CA 3.45Å; L295-I306 HydrophobicContact CB-CD1 3.68Å; L295-I306 HydrophobicContact CB-CG1 3.9Å; L295-I306 HydrophobicContact CB-CG2 4.38Å; L295-I306 HydrophobicContact CD1-CD1 3.77Å; L295-I306 HydrophobicContact CG-CD1 4.4Å; L295-I306 PolarHBondContact O-N 2.69Å
296	T	83	Confident	82.3	Confident	77 Å²	77	68.7 Å²	68.7	47%	0.472	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	150.2	177.3	63.9	0	0	0	0	112	Q303 E304	T296-Q303 HydrophobicContact CG2-CB 4.46Å; T296-Q303 PolarHBondContact OG1-OE1 3.32Å; T296-E304 CarbonylContact C-O 3.5Å; T296-E304 WeakPolarHBondContact CA-O 3.43Å
297	V	78.4	Confident	82.5	Confident	21 Å²	21	66.1 Å²	66.1	13%	0.127	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	143.4	168.9	-74.7	0	0	0	0	109.1	V299 Q303 E304 I306	V297-V299 HydrophobicContact CB-CG2 4.48Å; V297-V299 HydrophobicContact CG2-CG2 4Å; V297-V299 PolarHBondContact O-N 3.25Å; V297-Q303 WeakPolarHBondContact O-CA 3.46Å; V297-E304 PolarHBondContact N-O 2.94Å; V297-E304 PolarHBondContact O-N 3.11Å; V297-I306 HydrophobicContact CB-CG2 4.45Å; V297-I306 HydrophobicContact CG1-CG2 3.6Å; V297-I306 HydrophobicContact CG2-CG2 4.19Å
298	E	77	Confident	82.7	Confident	131 Å²	131	64.2 Å²	64.2	61%	0.612	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.8	111.3	172.6	-165.8	178.3	157.7	0	0	109.2	K302	E298-K302 WeakPolarHBondContact CA-O 3.33Å
299	V	76	Confident	83.2	Confident	49 Å²	49	65.5 Å²	65.5	30%	0.297	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	121.4	173.5	-175.8	0	0	0	0	107.5	L162 V297 G301 K302	L162-V299 HydrophobicContact CD2-CB 3.58Å; L162-V299 HydrophobicContact CD2-CG1 3.73Å; L162-V299 HydrophobicContact CD2-CG2 3.67Å; V297-V299 HydrophobicContact CB-CG2 4.48Å; V297-V299 HydrophobicContact CG2-CG2 4Å; V297-V299 PolarHBondContact O-N 3.25Å; V299-G301 PolarHBondContact O-N 3.34Å; V299-K302 PolarHBondContact N-O 3.11Å; V299-K302 PolarHBondContact O-N 3.5Å; V299-K302 VanDerWaalsContact O-N 3.08Å
300	N	74.7	Confident	83.6	Confident	165 Å²	165	63 Å²	63	88%	0.882	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.4	37.3	-177.3	-56.8	-36.6	0	0	0	113.7	K302	N300-K302 VanDerWaalsContact C-N 3.28Å; N300-K302 PolarHBondContact O-N 2.99Å
301	G	75.1	Confident	83.9	Confident	57 Å²	57	56 Å²	56	59%	0.588	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.4	3.7	179.5	0	0	0	0	0	115.3	V299	V299-G301 PolarHBondContact O-N 3.34Å
302	K	82.1	Confident	84.5	Confident	142 Å²	142	54.4 Å²	54.4	62%	0.617	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.5	140.2	174.1	-67.6	-176.1	-179.8	179.9	0	110.6	E298 V299 N300 E304	E298-K302 WeakPolarHBondContact CA-O 3.33Å; V299-K302 PolarHBondContact N-O 3.11Å; V299-K302 PolarHBondContact O-N 3.5Å; V299-K302 VanDerWaalsContact O-N 3.08Å; N300-K302 VanDerWaalsContact C-N 3.28Å; N300-K302 PolarHBondContact O-N 2.99Å; K302-E304 PolarHBondContact O-N 2.81Å
303	Q	83.5	Confident	85.1	Confident	107 Å²	107	54.4 Å²	54.4	50%	0.5	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	113.2	171.6	-66.4	-64.7	-34.7	0	0	108.6	T296 V297	T296-Q303 HydrophobicContact CG2-CB 4.46Å; T296-Q303 PolarHBondContact OG1-OE1 3.32Å; V297-Q303 WeakPolarHBondContact O-CA 3.46Å
304	E	84.9	Confident	85.5	Confident	31 Å²	31	51.6 Å²	51.6	15%	0.145	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	144.1	178	-67.7	-71.7	-172.1	0	0	109.6	T161 L162 T296 V297 K302 Q308	T161-E304 VanDerWaalsContact CB-OE1 3.31Å; T161-E304 WeakPolarHBondContact CB-OE1 2.91Å; T161-E304 PolarHBondContact OG1-OE1 3.07Å; T161-E304 PolarHBondContact OG1-OE2 2.87Å; L162-E304 HydrophobicContact CD1-CB 3.86Å; L162-E304 HydrophobicContact CD2-CB 4.02Å; L162-E304 HydrophobicContact CD2-CG 3.97Å; L162-E304 HydrophobicContact CG-CB 4.04Å; L162-E304 HydrophobicContact CG-CG 4.25Å; T296-E304 CarbonylContact C-O 3.5Å; T296-E304 WeakPolarHBondContact CA-O 3.43Å; V297-E304 PolarHBondContact N-O 2.94Å; V297-E304 PolarHBondContact O-N 3.11Å; K302-E304 PolarHBondContact O-N 2.81Å; E304-Q308 PolarHBondContact OE2-NE2 3Å; E304-Q308 PolarHBondContact OE2-OE1 3.32Å; E304-Q308 VanDerWaalsContact OE2-OE1 3.11Å
305	S	89.1	Confident	86	Confident	27 Å²	27	44.5 Å²	44.5	19%	0.189	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	138	179.8	179.1	0	0	0	0	110.8	P293 L295 M307 Q308	P293-S305 PolarHBondContact O-OG 2.87Å; L295-S305 WeakPolarHBondContact O-CA 3.45Å; S305-M307 PolarHBondContact O-N 3.16Å; S305-M307 VanDerWaalsContact O-N 3.12Å; S305-M307 PolarHBondContact OG-N 2.8Å; S305-Q308 WeakPolarHBondContact O-CB 3.37Å; S305-Q308 PolarHBondContact O-N 3.39Å; S305-Q308 VanDerWaalsContact O-N 3.11Å
306	I	88.2	Confident	86.6	Confident	1 Å²	1	43.4 Å²	43.4	1%	0.005	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-61.4	-22.7	176.7	64.8	170.8	0	0	0	112.7	K266 F292 L295 V297 Q308 R309 T310	K266-I306 HydrophobicContact CG-CD1 4.25Å; F292-I306 HydrophobicContact CB-CD1 4.2Å; F292-I306 HydrophobicContact CB-CG1 4.45Å; F292-I306 HydrophobicContact CD2-CD1 3.99Å; F292-I306 HydrophobicContact CG-CD1 3.99Å; F292-I306 WeakPolarHBondContact O-CG1 3.46Å; L295-I306 HydrophobicContact CB-CD1 3.68Å; L295-I306 HydrophobicContact CB-CG1 3.9Å; L295-I306 HydrophobicContact CB-CG2 4.38Å; L295-I306 HydrophobicContact CD1-CD1 3.77Å; L295-I306 HydrophobicContact CG-CD1 4.4Å; L295-I306 PolarHBondContact O-N 2.69Å; V297-I306 HydrophobicContact CB-CG2 4.45Å; V297-I306 HydrophobicContact CG1-CG2 3.6Å; V297-I306 HydrophobicContact CG2-CG2 4.19Å; I306-Q308 PolarHBondContact O-N 3.4Å; I306-R309 VanDerWaalsContact O-CG 3.3Å; I306-R309 WeakPolarHBondContact O-CG 3.27Å; I306-R309 PolarHBondContact O-N 2.89Å; I306-R309 VanDerWaalsContact O-N 3.13Å; I306-T310 WeakPolarHBondContact O-CB 3.45Å; I306-T310 PolarHBondContact O-N 3.11Å; I306-T310 PolarHBondContact O-OG1 3.12Å
307	M	89.7	Confident	86.9	Confident	9 Å²	9	42.5 Å²	42.5	4%	0.044	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-61.4	-29.5	177.1	-77.4	-60.8	-63.5	0	0	112.5	N97 F292 P293 S305 R309 T310 L312	N97-M307 VanDerWaalsContact CA-O 3.22Å; N97-M307 WeakPolarHBondContact CA-O 3.12Å; N97-M307 PolarHBondContact N-O 2.98Å; F292-M307 HydrophobicContact CB-CG 3.97Å; F292-M307 HydrophobicContact CB-SD 3.5Å; F292-M307 WeakPolarHBondContact CB-SD 3.25Å; F292-M307 HydrophobicContact CD2-SD 4.1Å; F292-M307 HydrophobicContact CG-SD 4.3Å; P293-M307 HydrophobicContact CB-CG 4.26Å; P293-M307 HydrophobicContact CG-CG 3.93Å; S305-M307 PolarHBondContact O-N 3.16Å; S305-M307 VanDerWaalsContact O-N 3.12Å; S305-M307 PolarHBondContact OG-N 2.8Å; M307-R309 PolarHBondContact O-N 2.77Å; M307-T310 PolarHBondContact O-N 2.77Å; M307-T310 VanDerWaalsContact O-N 3.15Å; M307-T310 VanDerWaalsContact O-O 3.12Å; M307-L312 HydrophobicContact CE-CD1 3.94Å; M307-L312 HydrophobicContact CE-CG 4.37Å; M307-L312 HydrophobicContact SD-CD1 4Å
308	Q	90.1	Very high	87.3	Confident	44 Å²	44	47.5 Å²	47.5	21%	0.206	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-65.1	-19.7	177.5	-66.9	178	-3	0	0	113.3	V96 N160 T161 L162 E304 S305 I306	V96-Q308 WeakPolarHBondContact CB-O 3.31Å; V96-Q308 WeakPolarHBondContact CG2-O 3.45Å; N160-Q308 HydrophobicContact CB-CB 4.43Å; N160-Q308 PolarHBondContact ND2-O 3.22Å; T161-Q308 PolarHBondContact OG1-OE1 3.15Å; T161-Q308 VanDerWaalsContact OG1-OE1 3.11Å; L162-Q308 HydrophobicContact CD1-CB 4.18Å; E304-Q308 PolarHBondContact OE2-NE2 3Å; E304-Q308 PolarHBondContact OE2-OE1 3.32Å; E304-Q308 VanDerWaalsContact OE2-OE1 3.11Å; S305-Q308 WeakPolarHBondContact O-CB 3.37Å; S305-Q308 PolarHBondContact O-N 3.39Å; S305-Q308 VanDerWaalsContact O-N 3.11Å; I306-Q308 PolarHBondContact O-N 3.4Å
309	R	92	Very high	87.9	Confident	28 Å²	28	42.6 Å²	42.6	11%	0.106	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-115.3	11.8	175.6	66.7	172.8	-173.5	170.5	3.9	113.4	L162 V163 S265 K266 S270 I272 I273 I306 M307	L162-R309 HydrophobicContact CD1-CB 4.38Å; L162-R309 HydrophobicContact CD1-CG 4.44Å; V163-R309 HydrophobicContact CG2-CB 4.25Å; S265-R309 PolarHBondContact O-NH2 3.3Å; K266-R309 PolarHBondContact O-NH2 2.93Å; S270-R309 PolarHBondContact O-NH1 3.47Å; I272-R309 WeakPolarHBondContact CA-O 3.4Å; I272-R309 HydrophobicContact CD1-CB 4.38Å; I273-R309 PolarHBondContact N-O 3.25Å; I306-R309 VanDerWaalsContact O-CG 3.3Å; I306-R309 WeakPolarHBondContact O-CG 3.27Å; I306-R309 PolarHBondContact O-N 2.89Å; I306-R309 VanDerWaalsContact O-N 3.13Å; M307-R309 PolarHBondContact O-N 2.77Å
310	T	93.1	Very high	88.5	Confident	0 Å²	0	42 Å²	42	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	136.2	-175.1	-54.4	0	0	0	0	110.9	N97 I273 F292 I306 M307 L312	N97-T310 PolarHBondContact N-O 3.1Å; I273-T310 HydrophobicContact CB-CG2 4.12Å; I273-T310 HydrophobicContact CG2-CG2 4.21Å; I273-T310 CarbonylContact O-C 2.97Å; I273-T310 VanDerWaalsContact O-CA 3.27Å; I273-T310 WeakPolarHBondContact O-CA 3.41Å; F292-T310 HydrophobicContact CD2-CG2 4.14Å; F292-T310 HydrophobicContact CE2-CG2 4.11Å; I306-T310 WeakPolarHBondContact O-CB 3.45Å; I306-T310 PolarHBondContact O-N 3.11Å; I306-T310 PolarHBondContact O-OG1 3.12Å; M307-T310 PolarHBondContact O-N 2.77Å; M307-T310 VanDerWaalsContact O-N 3.15Å; M307-T310 VanDerWaalsContact O-O 3.12Å; T310-L312 HydrophobicContact CG2-CD2 3.63Å; T310-L312 HydrophobicContact CG2-CG 4.27Å
311	A	94.2	Very high	89.1	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	132.5	167	0	0	0	0	0	109.6	I95 I273 V274 Y275	I95-A311 HydrophobicContact CG2-CB 3.96Å; I273-A311 PolarHBondContact O-N 3.41Å; V274-A311 WeakPolarHBondContact CA-O 3.48Å; Y275-A311 PolarHBondContact N-O 3.1Å
312	L	94.1	Very high	89.7	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	131.3	-177.6	-58.3	-177.2	0	0	0	110.3	N98 I99 F100 Y275 V288 L289 F292 M307 T310	N98-L312 PolarHBondContact O-N 3.41Å; I99-L312 WeakPolarHBondContact CA-O 3.25Å; I99-L312 HydrophobicContact CG1-CB 4.25Å; I99-L312 HydrophobicContact CG1-CD1 4.2Å; I99-L312 HydrophobicContact CG2-CB 4.23Å; F100-L312 PolarHBondContact N-O 3.46Å; Y275-L312 HydrophobicContact CD1-CD2 4.32Å; Y275-L312 HydrophobicContact CG-CD2 4.21Å; Y275-L312 WeakPolarHBondContact O-CA 3.35Å; V288-L312 HydrophobicContact CG1-CD1 4.48Å; L289-L312 HydrophobicContact CD2-CD1 3.5Å; F292-L312 HydrophobicContact CD2-CD2 4.15Å; F292-L312 HydrophobicContact CE2-CD2 4.02Å; M307-L312 HydrophobicContact CE-CD1 3.94Å; M307-L312 HydrophobicContact CE-CG 4.37Å; M307-L312 HydrophobicContact SD-CD1 4Å; T310-L312 HydrophobicContact CG2-CD2 3.63Å; T310-L312 HydrophobicContact CG2-CG 4.27Å
313	V	95.1	Very high	90.1	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	106.2	170.5	-177.1	0	0	0	0	107.5	F100 Y275 V276 G277 T330 L334	F100-V313 CarbonylContact O-C 3.54Å; F100-V313 WeakPolarHBondContact O-CA 3.16Å; Y275-V313 PolarHBondContact O-N 2.94Å; V276-V313 CarbonylContact C-O 3.57Å; V276-V313 WeakPolarHBondContact CA-O 3.33Å; V276-V313 HydrophobicContact CB-CB 4.43Å; V276-V313 HydrophobicContact CG1-CB 4.18Å; V276-V313 HydrophobicContact CG1-CG1 4.25Å; V276-V313 HydrophobicContact CG2-CB 4.15Å; V276-V313 HydrophobicContact CG2-CG2 4.37Å; G277-V313 PolarHBondContact N-O 3.47Å; V313-T330 HydrophobicContact CG2-CG2 4.36Å; V313-L334 HydrophobicContact CG2-CD1 4.11Å
314	A	93.5	Very high	90.5	Very high	4 Å²	4	22.5 Å²	22.5	3%	0.033	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	111.6	-175.3	0	0	0	0	0	110.4	I99 F100 D101 L107 M285	I99-A314 HydrophobicContact CG2-CB 4.3Å; F100-A314 PolarHBondContact O-N 3.35Å; D101-A314 WeakPolarHBondContact CA-O 3.18Å; L107-A314 HydrophobicContact CD1-CB 4.06Å; M285-A314 HydrophobicContact CE-CB 3.74Å
315	N	93	Very high	90.8	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	93	171.1	-169.3	97.3	0	0	0	110.2	G277 G279 M319 A323 R324	G277-N315 CarbonylContact O-C 3.6Å; G277-N315 VanDerWaalsContact O-CA 3.3Å; G277-N315 WeakPolarHBondContact O-CA 3.38Å; G277-N315 WeakPolarHBondContact O-CB 3.47Å; G277-N315 PolarHBondContact O-N 2.72Å; G279-N315 WeakPolarHBondContact CA-O 3.34Å; G279-N315 PolarHBondContact N-O 3.32Å; N315-M319 HydrophobicContact CB-SD 4.44Å; N315-A323 VanDerWaalsContact OD1-C 3.3Å; N315-A323 WeakPolarHBondContact OD1-CB 3.32Å; N315-A323 PolarHBondContact OD1-O 2.81Å; N315-R324 WeakPolarHBondContact ND2-CG 3.43Å
316	T	92.1	Very high	90.9	Very high	18 Å²	18	20 Å²	20	11%	0.11	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	164.3	-176.5	49.9	0	0	0	0	112.8	E280 M285 N318 M319	E280-T316 CarbonylContact O-C 3.6Å; E280-T316 WeakPolarHBondContact O-CA 3.23Å; M285-T316 HydrophobicContact CB-CG2 4.31Å; M285-T316 HydrophobicContact CG-CG2 4.14Å; T316-N318 WeakPolarHBondContact CB-OD1 3.15Å; T316-N318 PolarHBondContact O-N 2.88Å; T316-N318 PolarHBondContact OG1-OD1 3.08Å; T316-M319 WeakPolarHBondContact O-CB 3.22Å; T316-M319 PolarHBondContact O-N 2.81Å; T316-M319 WeakPolarHBondContact OG1-CG 3.43Å
317	S	87.9	Confident	91.3	Very high	59 Å²	59	20 Å²	20	41%	0.413	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-23.9	-178.2	64.2	0	0	0	0	114.6	E280 R324	E280-S317 PolarHBondContact O-N 2.94Å; S317-R324 PolarHBondContact O-NH2 2.9Å
318	N	88.6	Confident	91.5	Very high	125 Å²	125	19.6 Å²	19.6	67%	0.668	11%	0.108	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-10.4	174.7	66.7	-43.6	0	0	0	113.6	T316	T316-N318 WeakPolarHBondContact CB-OD1 3.15Å; T316-N318 PolarHBondContact O-N 2.88Å; T316-N318 PolarHBondContact OG1-OD1 3.08Å
319	M	89.3	Confident	91.8	Very high	29 Å²	29	17.9 Å²	17.9	14%	0.143	10%	0.099	C	C	.	.	S	Bend	trans	-76.2	155.3	172.3	-70.2	-178.1	-176.7	0	0	110.7	I119 N315 T316	I119-M319 HydrophobicContact CD1-CE 3.83Å; N315-M319 HydrophobicContact CB-SD 4.44Å; T316-M319 WeakPolarHBondContact O-CB 3.22Å; T316-M319 PolarHBondContact O-N 2.81Å; T316-M319 WeakPolarHBondContact OG1-CG 3.43Å
320	P	87.7	Confident	92	Very high	35 Å²	35	16.5 Å²	16.5	23%	0.227	9%	0.094	C	C	.	.			trans	-53.9	145.9	-176.6	-29.9	38.7	0	0	0	113.8	Y68 A322 A323 R324	Y68-P320 WeakPolarHBondContact O-CB 3.26Å; Y68-P320 VanDerWaalsContact O-CG 3.26Å; Y68-P320 WeakPolarHBondContact O-CG 3.42Å; P320-A322 VanDerWaalsContact C-N 3.28Å; P320-A322 PolarHBondContact O-N 2.81Å; P320-A323 HydrophobicContact CB-CB 4.47Å; P320-A323 WeakPolarHBondContact O-CB 3.49Å; P320-A323 PolarHBondContact O-N 2.63Å; P320-R324 PolarHBondContact O-N 3.47Å
321	V	88.7	Confident	92.2	Very high	24 Å²	24	16.5 Å²	16.5	15%	0.145	9%	0.094	C	C	.	.	H	α-helix	trans	-62.1	-38.7	-175.1	179.8	0	0	0	0	111.5	A323 R324 A358 E361	V321-A323 VanDerWaalsContact C-N 3.29Å; V321-A323 PolarHBondContact O-N 3.31Å; V321-R324 VanDerWaalsContact O-CB 3.28Å; V321-R324 WeakPolarHBondContact O-CB 3.49Å; V321-R324 PolarHBondContact O-N 2.83Å; V321-A358 VanDerWaalsContact CG1-CA 3.44Å; V321-A358 HydrophobicContact CG1-CB 3.45Å; V321-A358 VanDerWaalsContact CG1-CB 3.45Å; V321-E361 HydrophobicContact CG1-CB 4.16Å; V321-E361 VanDerWaalsContact CG2-OE2 3.32Å; V321-E361 WeakPolarHBondContact CG2-OE2 3.3Å
322	A	87.6	Confident	92.4	Very high	1 Å²	1	16.5 Å²	16.5	1%	0.008	9%	0.094	C	C	.	.	H	α-helix	trans	-62	-36	176.1	0	0	0	0	0	112.6	Q66 Y68 P320 R324 E325 A326	Q66-A322 HydrophobicContact CG-CB 3.71Å; Y68-A322 VanDerWaalsContact CD1-C 3.42Å; Y68-A322 HydrophobicContact CD1-CB 3.3Å; Y68-A322 WeakPolarHBondContact CD1-O 3.25Å; Y68-A322 HydrophobicContact CE1-CB 3.68Å; Y68-A322 WeakPolarHBondContact CE1-O 3.21Å; Y68-A322 HydrophobicContact CG-CB 4.31Å; P320-A322 VanDerWaalsContact C-N 3.28Å; P320-A322 PolarHBondContact O-N 2.81Å; A322-R324 PolarHBondContact O-N 3.34Å; A322-E325 PolarHBondContact O-N 3.26Å; A322-A326 PolarHBondContact O-N 3.49Å; A322-A326 VanDerWaalsContact O-N 3.17Å
323	A	89.7	Confident	92.5	Very high	7 Å²	7	16.5 Å²	16.5	6%	0.058	9%	0.094	C	C	.	.	H	α-helix	trans	-68.6	-24.9	179.5	0	0	0	0	0	112.1	N315 P320 V321 A326 S327	N315-A323 VanDerWaalsContact OD1-C 3.3Å; N315-A323 WeakPolarHBondContact OD1-CB 3.32Å; N315-A323 PolarHBondContact OD1-O 2.81Å; P320-A323 HydrophobicContact CB-CB 4.47Å; P320-A323 WeakPolarHBondContact O-CB 3.49Å; P320-A323 PolarHBondContact O-N 2.63Å; V321-A323 VanDerWaalsContact C-N 3.29Å; V321-A323 PolarHBondContact O-N 3.31Å; A323-A326 PolarHBondContact O-N 3.35Å; A323-S327 WeakPolarHBondContact O-CB 3.21Å; A323-S327 PolarHBondContact O-N 3.31Å
324	R	91.5	Very high	92.6	Very high	30 Å²	30	16.5 Å²	16.5	11%	0.113	9%	0.094	C	C	.	.	H	α-helix	trans	-61.5	-47	171.4	-63.2	175.1	-174.4	-170.3	6.1	111.5	N315 S317 P320 V321 A322 S327 A358	N315-R324 WeakPolarHBondContact ND2-CG 3.43Å; S317-R324 PolarHBondContact O-NH2 2.9Å; P320-R324 PolarHBondContact O-N 3.47Å; V321-R324 VanDerWaalsContact O-CB 3.28Å; V321-R324 WeakPolarHBondContact O-CB 3.49Å; V321-R324 PolarHBondContact O-N 2.83Å; A322-R324 PolarHBondContact O-N 3.34Å; R324-S327 PolarHBondContact O-N 3.31Å; R324-S327 PolarHBondContact O-OG 3.41Å; R324-A358 HydrophobicContact CB-CB 4.04Å
325	E	91	Very high	92.8	Very high	7 Å²	7	16.3 Å²	16.3	3%	0.033	9%	0.093	C	C	.	.	H	α-helix	trans	-62.5	-47.5	175.6	175.9	-179.9	177.1	0	0	111.1	R213 A322 S327 I328 Y329 L359	R213-E325 IonicContact CZ-OE1 3.72Å; R213-E325 IonicContact NH1-OE1 3.88Å; R213-E325 PolarHBondContact NH1-OE1 3.32Å; R213-E325 IonicContact NH2-OE1 3.94Å; R213-E325 PolarHBondContact NH2-OE1 2.96Å; R213-E325 VanDerWaalsContact NH2-OE1 3.16Å; A322-E325 PolarHBondContact O-N 3.26Å; E325-S327 VanDerWaalsContact C-N 3.28Å; E325-S327 PolarHBondContact O-N 3.1Å; E325-I328 PolarHBondContact O-N 2.87Å; E325-Y329 HydrophobicContact CG-CD2 3.98Å; E325-Y329 HydrophobicContact CG-CE2 3.54Å; E325-Y329 VanDerWaalsContact O-CD2 3.25Å; E325-Y329 WeakPolarHBondContact O-CD2 3.32Å; E325-Y329 WeakPolarHBondContact OE1-CE2 3.45Å; E325-L359 HydrophobicContact CG-CD2 4.36Å
326	A	92.4	Very high	93	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-58.4	-40.4	178.6	0	0	0	0	0	112	Y68 L87 G102 I103 A322 A323 I328 Y329 T330	Y68-A326 HydrophobicContact CD1-CB 4.42Å; Y68-A326 HydrophobicContact CE1-CB 4.1Å; L87-A326 HydrophobicContact CD2-CB 3.88Å; G102-A326 CarbonylContact O-C 3.55Å; G102-A326 WeakPolarHBondContact O-CB 3.32Å; I103-A326 HydrophobicContact CG2-CB 4.23Å; A322-A326 PolarHBondContact O-N 3.49Å; A322-A326 VanDerWaalsContact O-N 3.17Å; A323-A326 PolarHBondContact O-N 3.35Å; A326-I328 VanDerWaalsContact C-N 3.32Å; A326-I328 PolarHBondContact O-N 3.21Å; A326-Y329 PolarHBondContact O-N 3.19Å; A326-Y329 VanDerWaalsContact O-N 3.14Å; A326-T330 WeakPolarHBondContact O-CB 3.27Å; A326-T330 PolarHBondContact O-N 2.81Å; A326-T330 PolarHBondContact O-OG1 3.04Å
327	S	95.1	Very high	93.3	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-57.8	-40.5	-177.5	74.9	0	0	0	0	113.5	G102 A323 R324 E325 T330 G331	G102-S327 PolarHBondContact O-N 2.86Å; A323-S327 WeakPolarHBondContact O-CB 3.21Å; A323-S327 PolarHBondContact O-N 3.31Å; R324-S327 PolarHBondContact O-N 3.31Å; R324-S327 PolarHBondContact O-OG 3.41Å; E325-S327 VanDerWaalsContact C-N 3.28Å; E325-S327 PolarHBondContact O-N 3.1Å; S327-T330 PolarHBondContact O-N 3.45Å; S327-G331 PolarHBondContact O-N 2.86Å
328	I	95.7	Very high	93.7	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-65.8	-46	178.4	-64.4	-65.4	0	0	0	110.2	V276 C278 E325 A326 G331 I332 A349 W355 F386	V276-I328 HydrophobicContact CG1-CD1 4.04Å; C278-I328 HydrophobicContact CB-CD1 3.87Å; C278-I328 HydrophobicContact CB-CG1 4.3Å; E325-I328 PolarHBondContact O-N 2.87Å; A326-I328 VanDerWaalsContact C-N 3.32Å; A326-I328 PolarHBondContact O-N 3.21Å; I328-G331 PolarHBondContact O-N 2.98Å; I328-I332 WeakPolarHBondContact O-CG2 3.49Å; I328-I332 PolarHBondContact O-N 2.88Å; I328-A349 HydrophobicContact CD1-CB 4.02Å; I328-W355 HydrophobicContact CB-CD2 4.39Å; I328-W355 HydrophobicContact CG1-CB 4.14Å; I328-W355 HydrophobicContact CG1-CD2 4.04Å; I328-W355 HydrophobicContact CG1-CE3 4.22Å; I328-W355 HydrophobicContact CG1-CG 4Å; I328-W355 HydrophobicContact CG2-CD2 4.34Å; I328-W355 HydrophobicContact CG2-CE3 4.06Å; I328-W355 HydrophobicContact CG2-CH2 4.31Å; I328-W355 HydrophobicContact CG2-CZ3 4.03Å; I328-F386 HydrophobicContact CG2-CD2 3.49Å; I328-F386 VanDerWaalsContact CG2-CD2 3.49Å; I328-F386 HydrophobicContact CG2-CE2 3.44Å; I328-F386 VanDerWaalsContact CG2-CE2 3.44Å; I328-F386 HydrophobicContact CG2-CG 4.12Å; I328-F386 HydrophobicContact CG2-CZ 4.03Å
329	Y	95.9	Very high	94.1	Very high	8 Å²	8	7 Å²	7	3%	0.031	4%	0.037	C	C	.	.	H	α-helix	trans	-67.6	-36.3	178.2	-67	-61.8	0	0	0	112.9	E325 A326 I332 T333 W355 R382	E325-Y329 HydrophobicContact CG-CD2 3.98Å; E325-Y329 HydrophobicContact CG-CE2 3.54Å; E325-Y329 VanDerWaalsContact O-CD2 3.25Å; E325-Y329 WeakPolarHBondContact O-CD2 3.32Å; E325-Y329 WeakPolarHBondContact OE1-CE2 3.45Å; A326-Y329 PolarHBondContact O-N 3.19Å; A326-Y329 VanDerWaalsContact O-N 3.14Å; Y329-I332 VanDerWaalsContact O-CG2 3.25Å; Y329-I332 WeakPolarHBondContact O-CG2 3.4Å; Y329-T333 WeakPolarHBondContact O-CB 3.43Å; Y329-T333 PolarHBondContact O-N 3.38Å; Y329-T333 VanDerWaalsContact O-N 3.11Å; Y329-T333 PolarHBondContact O-OG1 3.48Å; Y329-W355 HydrophobicContact CE2-CZ2 4.36Å; Y329-R382 WeakPolarHBondContact OH-CD 3.44Å; Y329-R382 PolarHBondContact OH-NH1 3.18Å
330	T	96.3	Very high	94.4	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-60	-54.7	172.9	-64.6	0	0	0	0	109.7	V89 G102 Q104 V313 A326 S327 I332 T333 L334	V89-T330 HydrophobicContact CG1-CG2 3.89Å; G102-T330 PolarHBondContact O-OG1 3.19Å; Q104-T330 HydrophobicContact CB-CG2 4.14Å; Q104-T330 HydrophobicContact CG-CG2 4.24Å; V313-T330 HydrophobicContact CG2-CG2 4.36Å; A326-T330 WeakPolarHBondContact O-CB 3.27Å; A326-T330 PolarHBondContact O-N 2.81Å; A326-T330 PolarHBondContact O-OG1 3.04Å; S327-T330 PolarHBondContact O-N 3.45Å; T330-I332 PolarHBondContact O-N 2.83Å; T330-T333 PolarHBondContact O-N 3.22Å; T330-T333 VanDerWaalsContact O-N 3.14Å; T330-L334 HydrophobicContact CG2-CD1 4.3Å; T330-L334 WeakPolarHBondContact O-CG 3.43Å; T330-L334 PolarHBondContact O-N 3.23Å
331	G	96.7	Very high	94.8	Very high	0 Å²	0	4.4 Å²	4.4	0%	0	2%	0.022	C	C	.	.	H	α-helix	trans	-62.1	-40.4	-177.7	0	0	0	0	0	114.5	S327 I328 T333 L334 S335	S327-G331 PolarHBondContact O-N 2.86Å; I328-G331 PolarHBondContact O-N 2.98Å; G331-T333 VanDerWaalsContact C-N 3.32Å; G331-T333 PolarHBondContact O-N 2.67Å; G331-L334 PolarHBondContact O-N 3.13Å; G331-S335 WeakPolarHBondContact O-CB 3.14Å; G331-S335 PolarHBondContact O-N 3.33Å; G331-S335 PolarHBondContact O-OG 3.13Å
332	I	97.6	Very high	95	Very high	0 Å²	0	4.1 Å²	4.1	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-68.3	-33.9	176.1	-171.9	60.2	0	0	0	111.8	I328 Y329 T330 S335 E336 M347 F386 R389 V406 I408	I328-I332 WeakPolarHBondContact O-CG2 3.49Å; I328-I332 PolarHBondContact O-N 2.88Å; Y329-I332 VanDerWaalsContact O-CG2 3.25Å; Y329-I332 WeakPolarHBondContact O-CG2 3.4Å; T330-I332 PolarHBondContact O-N 2.83Å; I332-S335 WeakPolarHBondContact O-CB 3.47Å; I332-S335 PolarHBondContact O-N 2.7Å; I332-E336 WeakPolarHBondContact O-CG 3.49Å; I332-E336 PolarHBondContact O-N 2.9Å; I332-M347 VanDerWaalsContact CA-SD 3.54Å; I332-M347 HydrophobicContact CB-CE 4.2Å; I332-M347 HydrophobicContact CB-SD 3.7Å; I332-M347 HydrophobicContact CD1-SD 3.69Å; I332-M347 HydrophobicContact CG1-SD 4.28Å; I332-F386 HydrophobicContact CB-CD2 4.32Å; I332-F386 HydrophobicContact CB-CE2 4.02Å; I332-F386 HydrophobicContact CG1-CD2 4.48Å; I332-F386 HydrophobicContact CG1-CE2 4.38Å; I332-F386 HydrophobicContact CG2-CD2 4.41Å; I332-R389 HydrophobicContact CD1-CB 4.03Å; I332-R389 HydrophobicContact CG1-CB 3.77Å; I332-R389 HydrophobicContact CG1-CG 4.45Å; I332-R389 VanDerWaalsContact CG2-CZ 3.42Å; I332-R389 VanDerWaalsContact CG2-NH1 3.28Å; I332-V406 HydrophobicContact CD1-CG1 3.95Å; I332-I408 HydrophobicContact CD1-CD1 3.64Å; I332-I408 HydrophobicContact CD1-CG1 4.18Å
333	T	97.6	Very high	95.4	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-70.5	-38.4	177.8	-55.8	0	0	0	0	111.5	V89 W210 V212 Y329 T330 G331 S335 Y337 R389	V89-T333 HydrophobicContact CG2-CG2 3.54Å; W210-T333 HydrophobicContact CG-CG2 4.49Å; V212-T333 WeakPolarHBondContact CA-OG1 3.1Å; V212-T333 PolarHBondContact O-OG1 3.15Å; Y329-T333 WeakPolarHBondContact O-CB 3.43Å; Y329-T333 PolarHBondContact O-N 3.38Å; Y329-T333 VanDerWaalsContact O-N 3.11Å; Y329-T333 PolarHBondContact O-OG1 3.48Å; T330-T333 PolarHBondContact O-N 3.22Å; T330-T333 VanDerWaalsContact O-N 3.14Å; G331-T333 VanDerWaalsContact C-N 3.32Å; G331-T333 PolarHBondContact O-N 2.67Å; T333-S335 VanDerWaalsContact C-N 3.31Å; T333-Y337 WeakPolarHBondContact O-CB 3.32Å; T333-Y337 PolarHBondContact O-N 3.03Å; T333-R389 PolarHBondContact OG1-NH2 3.22Å
334	L	97.3	Very high	95.8	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-61.1	-42.2	169.4	-63.2	178.8	0	0	0	111	L91 I95 V313 T330 G331 Y337 F338	L91-L334 HydrophobicContact CD2-CD2 3.7Å; I95-L334 HydrophobicContact CD1-CD2 4.13Å; I95-L334 HydrophobicContact CG2-CD2 4.22Å; V313-L334 HydrophobicContact CG2-CD1 4.11Å; T330-L334 HydrophobicContact CG2-CD1 4.3Å; T330-L334 WeakPolarHBondContact O-CG 3.43Å; T330-L334 PolarHBondContact O-N 3.23Å; G331-L334 PolarHBondContact O-N 3.13Å; L334-Y337 WeakPolarHBondContact O-CB 3.29Å; L334-Y337 PolarHBondContact O-N 3.44Å; L334-F338 VanDerWaalsContact O-CD2 3.28Å; L334-F338 WeakPolarHBondContact O-CD2 3.4Å; L334-F338 PolarHBondContact O-N 2.92Å
335	S	97.7	Very high	96	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-64.3	-44.6	179.4	-56.2	0	0	0	0	112.3	V274 G331 I332 T333 Y337 F338 R339	V274-S335 WeakPolarHBondContact CB-OG 3.39Å; V274-S335 WeakPolarHBondContact CG2-OG 3.37Å; G331-S335 WeakPolarHBondContact O-CB 3.14Å; G331-S335 PolarHBondContact O-N 3.33Å; G331-S335 PolarHBondContact O-OG 3.13Å; I332-S335 WeakPolarHBondContact O-CB 3.47Å; I332-S335 PolarHBondContact O-N 2.7Å; T333-S335 VanDerWaalsContact C-N 3.31Å; S335-Y337 VanDerWaalsContact C-N 3.27Å; S335-Y337 PolarHBondContact O-N 2.82Å; S335-F338 PolarHBondContact O-N 2.89Å; S335-R339 WeakPolarHBondContact O-CB 3.32Å; S335-R339 PolarHBondContact O-N 3.48Å
336	E	97.7	Very high	96.3	Very high	2 Å²	2	5.4 Å²	5.4	1%	0.009	3%	0.03	C	C	.	.	H	α-helix	trans	-63.8	-32.7	174.6	-71.5	-178.9	161.1	0	0	112.6	R216 I332 R339 D340 R389	R216-E336 HydrophobicContact CB-CB 4.09Å; R216-E336 HydrophobicContact CG-CB 4.09Å; R216-E336 PolarHBondContact N-OE2 3.45Å; I332-E336 WeakPolarHBondContact O-CG 3.49Å; I332-E336 PolarHBondContact O-N 2.9Å; E336-R339 WeakPolarHBondContact O-CB 3.45Å; E336-R339 PolarHBondContact O-N 2.76Å; E336-R339 IonicContact OE1-NH1 2.67Å; E336-D340 PolarHBondContact O-N 2.96Å; E336-R389 VanDerWaalsContact CD-NE 3.35Å; E336-R389 VanDerWaalsContact CD-NH2 3.29Å; E336-R389 WeakPolarHBondContact OE1-CB 3.28Å; E336-R389 WeakPolarHBondContact OE1-CG 3.45Å; E336-R389 IonicContact OE1-CZ 2.88Å; E336-R389 IonicContact OE1-NE 3.16Å; E336-R389 PolarHBondContact OE1-NE 2.97Å; E336-R389 IonicContact OE1-NH2 3.49Å; E336-R389 IonicContact OE2-CZ 2.92Å; E336-R389 IonicContact OE2-NE 3.58Å; E336-R389 PolarHBondContact OE2-NE 2.86Å; E336-R389 IonicContact OE2-NH2 3.65Å; E336-R389 PolarHBondContact OE2-NH2 3.16Å
337	Y	97.3	Very high	96.5	Very high	1 Å²	1	5.4 Å²	5.4	0%	0.004	3%	0.03	C	C	.	.	H	α-helix	trans	-64.7	-47.6	177.2	174.6	-128.7	0	0	0	112.2	L91 I95 H165 M168 T333 L334 S335 R339 D340 M341	L91-Y337 HydrophobicContact CB-CD1 3.8Å; L91-Y337 HydrophobicContact CB-CD2 4.14Å; L91-Y337 HydrophobicContact CB-CE1 3.77Å; L91-Y337 HydrophobicContact CB-CE2 4.19Å; L91-Y337 HydrophobicContact CB-CG 3.95Å; L91-Y337 HydrophobicContact CD1-CD2 4.02Å; L91-Y337 HydrophobicContact CD1-CG 3.92Å; L91-Y337 HydrophobicContact CD2-CD1 3.96Å; L91-Y337 HydrophobicContact CD2-CG 3.99Å; L91-Y337 HydrophobicContact CG-CD1 4.32Å; L91-Y337 HydrophobicContact CG-CG 4.18Å; I95-Y337 HydrophobicContact CD1-CD1 3.99Å; I95-Y337 HydrophobicContact CD1-CE1 3.91Å; H165-Y337 AromaticContact CE1-CE1 3.8Å; H165-Y337 AromaticContact NE2-CE1 3.43Å; H165-Y337 WeakPolarHBondContact NE2-CE1 3.43Å; H165-Y337 AromaticContact NE2-CZ 3.46Å; H165-Y337 PolarHBondContact NE2-OH 3.44Å; M168-Y337 HydrophobicContact CE-CD2 3.86Å; M168-Y337 HydrophobicContact CE-CE2 3.54Å; T333-Y337 WeakPolarHBondContact O-CB 3.32Å; T333-Y337 PolarHBondContact O-N 3.03Å; L334-Y337 WeakPolarHBondContact O-CB 3.29Å; L334-Y337 PolarHBondContact O-N 3.44Å; S335-Y337 VanDerWaalsContact C-N 3.27Å; S335-Y337 PolarHBondContact O-N 2.82Å; Y337-R339 VanDerWaalsContact C-N 3.33Å; Y337-D340 PolarHBondContact O-N 3.4Å; Y337-M341 HydrophobicContact CD1-CE 3.83Å; Y337-M341 HydrophobicContact CD2-CE 4.09Å; Y337-M341 HydrophobicContact CE1-CE 3.3Å; Y337-M341 HydrophobicContact CE2-CE 3.52Å; Y337-M341 HydrophobicContact CG-CE 4.23Å
338	F	97.1	Very high	96.4	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-67.3	-34.5	175.4	-74.8	-70.2	0	0	0	112.3	I95 V96 I272 L334 S335 D340 M341 Y343 V345	I95-F338 HydrophobicContact CB-CE2 4.34Å; I95-F338 HydrophobicContact CB-CZ 4.04Å; I95-F338 HydrophobicContact CG2-CE2 3.68Å; I95-F338 HydrophobicContact CG2-CZ 3.88Å; V96-F338 HydrophobicContact CG1-CE1 3.96Å; V96-F338 HydrophobicContact CG1-CE2 4.26Å; V96-F338 HydrophobicContact CG1-CZ 3.52Å; I272-F338 HydrophobicContact CB-CB 4.45Å; I272-F338 HydrophobicContact CB-CG 4.47Å; I272-F338 HydrophobicContact CD1-CD1 4.36Å; I272-F338 HydrophobicContact CG1-CB 4.28Å; I272-F338 HydrophobicContact CG1-CD1 4.07Å; I272-F338 HydrophobicContact CG1-CG 4.19Å; I272-F338 HydrophobicContact CG2-CB 4.33Å; I272-F338 HydrophobicContact CG2-CD1 4.44Å; I272-F338 HydrophobicContact CG2-CD2 3.89Å; I272-F338 HydrophobicContact CG2-CE2 4.3Å; I272-F338 HydrophobicContact CG2-CG 3.98Å; L334-F338 VanDerWaalsContact O-CD2 3.28Å; L334-F338 WeakPolarHBondContact O-CD2 3.4Å; L334-F338 PolarHBondContact O-N 2.92Å; S335-F338 PolarHBondContact O-N 2.89Å; F338-D340 VanDerWaalsContact C-N 3.3Å; F338-D340 PolarHBondContact O-N 3.36Å; F338-M341 HydrophobicContact CD1-CE 4.08Å; F338-M341 HydrophobicContact CD1-SD 4Å; F338-M341 HydrophobicContact CE1-CE 4.28Å; F338-M341 HydrophobicContact CE1-SD 4.47Å; F338-M341 WeakPolarHBondContact O-CB 3.3Å; F338-M341 PolarHBondContact O-N 3.27Å; F338-Y343 PolarHBondContact O-N 2.95Å; F338-V345 HydrophobicContact CB-CG2 3.61Å
339	R	96.6	Very high	96.3	Very high	3 Å²	3	5.4 Å²	5.4	1%	0.011	3%	0.03	C	C	.	.	H	α-helix	trans	-56.3	-44.6	171.3	177.2	-155.4	67.8	-167.1	-0.8	111.7	R216 S335 E336 Y337 M341 G342 V345 V393 C395 V406	R216-R339 PolarHBondContact O-NH2 2.89Å; S335-R339 WeakPolarHBondContact O-CB 3.32Å; S335-R339 PolarHBondContact O-N 3.48Å; E336-R339 WeakPolarHBondContact O-CB 3.45Å; E336-R339 PolarHBondContact O-N 2.76Å; E336-R339 IonicContact OE1-NH1 2.67Å; Y337-R339 VanDerWaalsContact C-N 3.33Å; R339-M341 PolarHBondContact O-N 2.97Å; R339-G342 WeakPolarHBondContact O-CA 3.41Å; R339-G342 PolarHBondContact O-N 3.33Å; R339-V345 HydrophobicContact CB-CG2 4.4Å; R339-V393 HydrophobicContact CG-CG2 3.95Å; R339-C395 PolarHBondContact O-SG 2.85Å; R339-V406 HydrophobicContact CB-CG2 3.55Å; R339-V406 HydrophobicContact CG-CG2 3.87Å
340	D	95.9	Very high	96.1	Very high	10 Å²	10	5.2 Å²	5.2	5%	0.053	3%	0.03	C	C	.	.	H	α-helix	trans	-64.6	-21.8	-178.3	-67.4	-5.6	0	0	0	112.9	M168 R216 E336 Y337 F338 G342 R402	M168-D340 HydrophobicContact CE-CB 3.81Å; M168-D340 VanDerWaalsContact SD-C 3.51Å; M168-D340 HydrophobicContact SD-CB 3.98Å; R216-D340 IonicContact CZ-OD2 2.75Å; R216-D340 VanDerWaalsContact CZ-OD2 3.27Å; R216-D340 IonicContact NE-OD2 2.69Å; R216-D340 PolarHBondContact NE-OD2 3.26Å; R216-D340 IonicContact NH2-OD2 3.98Å; R216-D340 PolarHBondContact NH2-OD2 3.45Å; E336-D340 PolarHBondContact O-N 2.96Å; Y337-D340 PolarHBondContact O-N 3.4Å; F338-D340 VanDerWaalsContact C-N 3.3Å; F338-D340 PolarHBondContact O-N 3.36Å; D340-G342 PolarHBondContact O-N 2.83Å; D340-R402 PolarHBondContact O-NH1 3.2Å; D340-R402 VanDerWaalsContact O-NH1 3.1Å
341	M	95	Very high	95.7	Very high	0 Å²	0	5.2 Å²	5.2	0%	0	3%	0.03	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-14.4	171.1	-59.7	179.8	-163.3	0	0	112.9	H165 R166 M168 Y337 F338 R339 Y343	H165-M341 VanDerWaalsContact CD2-CE 3.45Å; H165-M341 WeakPolarHBondContact CD2-CE 3.32Å; H165-M341 WeakPolarHBondContact NE2-CE 3.33Å; R166-M341 HydrophobicContact CB-CB 4.21Å; R166-M341 HydrophobicContact CB-CG 4.14Å; R166-M341 HydrophobicContact CB-SD 4.45Å; R166-M341 VanDerWaalsContact CD-O 3.28Å; R166-M341 WeakPolarHBondContact CD-O 3.48Å; R166-M341 PolarHBondContact NH1-O 3.26Å; M168-M341 HydrophobicContact CE-CB 4.48Å; M168-M341 HydrophobicContact CE-CE 4.3Å; M168-M341 HydrophobicContact CE-CG 3.49Å; M168-M341 VanDerWaalsContact CE-CG 3.49Å; M168-M341 HydrophobicContact SD-CG 4.14Å; Y337-M341 HydrophobicContact CD1-CE 3.83Å; Y337-M341 HydrophobicContact CD2-CE 4.09Å; Y337-M341 HydrophobicContact CE1-CE 3.3Å; Y337-M341 HydrophobicContact CE2-CE 3.52Å; Y337-M341 HydrophobicContact CG-CE 4.23Å; F338-M341 HydrophobicContact CD1-CE 4.08Å; F338-M341 HydrophobicContact CD1-SD 4Å; F338-M341 HydrophobicContact CE1-CE 4.28Å; F338-M341 HydrophobicContact CE1-SD 4.47Å; F338-M341 WeakPolarHBondContact O-CB 3.3Å; F338-M341 PolarHBondContact O-N 3.27Å; R339-M341 PolarHBondContact O-N 2.97Å; M341-Y343 HydrophobicContact CB-CD2 3.77Å; M341-Y343 HydrophobicContact CB-CE2 3.98Å; M341-Y343 HydrophobicContact SD-CD2 4.25Å; M341-Y343 HydrophobicContact SD-CE2 4.05Å
342	G	94.2	Very high	95.5	Very high	18 Å²	18	5.2 Å²	5.2	19%	0.186	3%	0.03	C	C	.	.	T	Hydrogen-bonded Turn	trans	96.3	19.1	-174.8	0	0	0	0	0	114.3	R339 D340 Y403	R339-G342 WeakPolarHBondContact O-CA 3.41Å; R339-G342 PolarHBondContact O-N 3.33Å; D340-G342 PolarHBondContact O-N 2.83Å; G342-Y403 CarbonylContact C-O 2.92Å; G342-Y403 WeakPolarHBondContact CA-O 3.47Å
343	Y	95.8	Very high	95.3	Very high	31 Å²	31	5.4 Å²	5.4	12%	0.122	3%	0.031	C	C	.	.			trans	-89	154.1	173.9	-69.3	-61.6	0	0	0	111.9	Q164 D271 I272 F338 M341 G404 S405	Q164-Y343 PolarHBondContact N-OH 3.45Å; Q164-Y343 PolarHBondContact O-OH 3.11Å; D271-Y343 HydrophobicContact CB-CD1 3.6Å; D271-Y343 HydrophobicContact CB-CE1 4.48Å; D271-Y343 HydrophobicContact CB-CG 4.16Å; I272-Y343 HydrophobicContact CG1-CD2 4.39Å; I272-Y343 HydrophobicContact CG1-CG 4.27Å; F338-Y343 PolarHBondContact O-N 2.95Å; M341-Y343 HydrophobicContact CB-CD2 3.77Å; M341-Y343 HydrophobicContact CB-CE2 3.98Å; M341-Y343 HydrophobicContact SD-CD2 4.25Å; M341-Y343 HydrophobicContact SD-CE2 4.05Å; Y343-G404 WeakPolarHBondContact O-CA 3.44Å; Y343-S405 PolarHBondContact O-N 2.87Å
344	N	96.6	Very high	95	Very high	38 Å²	38	8.5 Å²	8.5	20%	0.203	4%	0.043	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	112.1	166.9	-59.8	-67.3	0	0	0	109.2	S270 D271 I272 S405	S270-N344 CarbonylContact C-O 3.48Å; D271-N344 PolarHBondContact N-O 3.22Å; D271-N344 PolarHBondContact OD2-N 2.94Å; D271-N344 PolarHBondContact OD2-ND2 3.44Å; I272-N344 PolarHBondContact N-O 3.26Å; N344-S405 WeakPolarHBondContact CB-OG 3.33Å; N344-S405 PolarHBondContact OD1-OG 3.02Å
345	V	97.2	Very high	94.9	Very high	2 Å²	2	8.5 Å²	8.5	1%	0.012	4%	0.043	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	134.1	-174.3	-169.2	0	0	0	0	109.6	I272 V274 F338 R339 S405 V406 G407	I272-V345 HydrophobicContact CB-CG1 4.28Å; I272-V345 HydrophobicContact CB-CG2 4.27Å; I272-V345 HydrophobicContact CG2-CG1 4.26Å; I272-V345 WeakPolarHBondContact O-CA 3.33Å; V274-V345 HydrophobicContact CG2-CG1 4.06Å; F338-V345 HydrophobicContact CB-CG2 3.61Å; R339-V345 HydrophobicContact CB-CG2 4.4Å; V345-S405 PolarHBondContact N-O 2.97Å; V345-V406 HydrophobicContact CB-CG2 4.34Å; V345-V406 CarbonylContact O-C 3.37Å; V345-V406 WeakPolarHBondContact O-CA 3.45Å; V345-G407 PolarHBondContact O-N 2.93Å
346	S	96.4	Very high	94.7	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	4%	0.043	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	119.3	167.9	-171.5	0	0	0	0	109.9	S270 I272 I273 V274 G407	S270-S346 WeakPolarHBondContact OG-CB 3.22Å; I272-S346 PolarHBondContact O-N 3.23Å; I273-S346 WeakPolarHBondContact CA-O 3Å; V274-S346 PolarHBondContact N-O 2.73Å; S346-G407 CarbonylContact C-O 3.38Å; S346-G407 WeakPolarHBondContact CA-O 3.3Å
347	M	96.2	Very high	94.4	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	125.9	173.6	-176.8	-177.4	170.7	0	0	109.9	V274 V276 I332 A349 F386 G407 I408 V409	V274-M347 CarbonylContact O-C 3.45Å; V274-M347 VanDerWaalsContact O-CA 3.29Å; V274-M347 WeakPolarHBondContact O-CA 3.42Å; V276-M347 HydrophobicContact CB-CE 4.4Å; V276-M347 HydrophobicContact CG2-CE 3.67Å; I332-M347 VanDerWaalsContact CA-SD 3.54Å; I332-M347 HydrophobicContact CB-CE 4.2Å; I332-M347 HydrophobicContact CB-SD 3.7Å; I332-M347 HydrophobicContact CD1-SD 3.69Å; I332-M347 HydrophobicContact CG1-SD 4.28Å; M347-A349 HydrophobicContact CE-CB 4.36Å; M347-F386 HydrophobicContact CE-CE2 3.59Å; M347-F386 HydrophobicContact CE-CZ 3.79Å; M347-F386 HydrophobicContact SD-CE2 3.9Å; M347-F386 HydrophobicContact SD-CZ 4.1Å; M347-G407 PolarHBondContact N-O 3.18Å; M347-I408 HydrophobicContact CB-CG1 4.38Å; M347-V409 PolarHBondContact O-N 3.13Å
348	M	94.3	Very high	94.1	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	122.2	172.5	-65.1	158.2	-159.5	0	0	109.1	S261 L264 S265 I273 V274 Y275 V276 V409	S261-M348 WeakPolarHBondContact O-CE 3.38Å; L264-M348 HydrophobicContact CB-CE 3.78Å; L264-M348 HydrophobicContact CD2-CE 3.63Å; L264-M348 HydrophobicContact CD2-CG 4.37Å; L264-M348 HydrophobicContact CG-CE 3.67Å; S265-M348 VanDerWaalsContact CA-CE 3.46Å; I273-M348 HydrophobicContact CD1-CE 4.35Å; I273-M348 HydrophobicContact CG2-CE 3.82Å; I273-M348 HydrophobicContact CG2-SD 4.18Å; V274-M348 PolarHBondContact O-N 3.07Å; Y275-M348 HydrophobicContact CD2-CB 3.76Å; Y275-M348 HydrophobicContact CD2-CG 4.47Å; Y275-M348 HydrophobicContact CD2-SD 3.86Å; Y275-M348 HydrophobicContact CE2-CB 4.31Å; V276-M348 PolarHBondContact N-O 3.29Å; M348-V409 WeakPolarHBondContact CA-O 3.37Å
349	A	93.7	Very high	93.9	Very high	1 Å²	1	10.9 Å²	10.9	1%	0.008	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	101.4	177.1	0	0	0	0	0	109.6	I328 M347 T352 F386 V409 A411	I328-A349 HydrophobicContact CD1-CB 4.02Å; M347-A349 HydrophobicContact CE-CB 4.36Å; A349-T352 HydrophobicContact CB-CG2 3.92Å; A349-F386 HydrophobicContact CB-CZ 4.17Å; A349-V409 PolarHBondContact N-O 3.07Å; A349-A411 PolarHBondContact O-N 3.44Å
350	D	90.6	Very high	93.7	Very high	3 Å²	3	15.4 Å²	15.4	2%	0.016	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	100.1	-179.2	-163.5	13.8	0	0	0	109.3	T258 Y275 V276 G277 C278 E280 A411	T258-D350 PolarHBondContact OG1-OD2 3.15Å; Y275-D350 PolarHBondContact OH-OD2 2.74Å; V276-D350 PolarHBondContact O-N 3.46Å; G277-D350 CarbonylContact C-O 3.52Å; G277-D350 WeakPolarHBondContact CA-O 3.12Å; C278-D350 PolarHBondContact N-O 2.64Å; E280-D350 WeakPolarHBondContact CG-O 3.49Å; E280-D350 VanDerWaalsContact OE1-C 3.29Å; D350-A411 HydrophobicContact CB-CB 4.31Å; D350-A411 WeakPolarHBondContact OD1-CB 3.36Å
351	S	88.7	Confident	93.4	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	cis	-124.4	139.6	5.7	177.4	0	0	0	0	112.8	C278 E280 S353 R354 W355 A411	C278-S351 PolarHBondContact O-N 3.3Å; C278-S351 VanDerWaalsContact O-N 3.14Å; E280-S351 VanDerWaalsContact OE1-CB 3.23Å; E280-S351 WeakPolarHBondContact OE1-CB 3.37Å; E280-S351 PolarHBondContact OE1-N 3.48Å; S351-S353 PolarHBondContact O-N 2.9Å; S351-S353 PolarHBondContact OG-N 2.98Å; S351-R354 PolarHBondContact O-N 3.46Å; S351-W355 PolarHBondContact O-N 3.15Å; S351-A411 WeakPolarHBondContact CA-O 3.5Å; S351-A411 WeakPolarHBondContact CB-O 3.41Å; S351-A411 PolarHBondContact OG-O 3.23Å
352	T	92.6	Very high	93	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-67.5	-22.1	174.4	55.4	0	0	0	0	112.8	A349 W355 A356 A411	A349-T352 HydrophobicContact CB-CG2 3.92Å; T352-W355 WeakPolarHBondContact O-CB 3.3Å; T352-W355 PolarHBondContact O-N 3.45Å; T352-A356 PolarHBondContact O-N 3.2Å; T352-A411 PolarHBondContact N-O 2.92Å; T352-A411 PolarHBondContact OG1-O 3.38Å
353	S	92.2	Very high	92.8	Very high	4 Å²	4	18.6 Å²	18.6	3%	0.028	8%	0.082	C	C	.	.	H	α-helix	trans	-67.3	-38.1	172.5	-63.5	0	0	0	0	112.4	S351 W355 A356 E357 V412 S413	S351-S353 PolarHBondContact O-N 2.9Å; S351-S353 PolarHBondContact OG-N 2.98Å; S353-W355 VanDerWaalsContact C-N 3.29Å; S353-W355 PolarHBondContact O-N 3.29Å; S353-A356 PolarHBondContact O-N 3.2Å; S353-E357 WeakPolarHBondContact O-CG 3.3Å; S353-E357 PolarHBondContact O-N 3.36Å; S353-V412 VanDerWaalsContact OG-CG1 3.31Å; S353-V412 WeakPolarHBondContact OG-CG1 3.46Å; S353-S413 PolarHBondContact OG-N 3.34Å
354	R	91.9	Very high	92.5	Very high	66 Å²	66	19.7 Å²	19.7	25%	0.249	10%	0.102	C	C	.	.	H	α-helix	trans	-70.3	-29.7	176.8	-63.4	-58.6	179.2	-165.3	-6.6	112.3	F253 C278 S351 E357 A358	F253-R354 VanDerWaalsContact CZ-NH2 3.32Å; C278-R354 VanDerWaalsContact O-CB 3.24Å; C278-R354 WeakPolarHBondContact O-CB 3.31Å; S351-R354 PolarHBondContact O-N 3.46Å; R354-E357 VanDerWaalsContact CD-OE2 3.22Å; R354-E357 WeakPolarHBondContact CD-OE2 3.42Å; R354-E357 IonicContact CZ-OE1 2.76Å; R354-E357 IonicContact CZ-OE2 3.21Å; R354-E357 IonicContact NE-OE2 3.94Å; R354-E357 IonicContact NH1-OE1 3.05Å; R354-E357 PolarHBondContact NH1-OE1 2.84Å; R354-E357 IonicContact NH1-OE2 3.86Å; R354-E357 PolarHBondContact NH1-OE2 2.71Å; R354-A358 WeakPolarHBondContact O-CB 3.15Å; R354-A358 PolarHBondContact O-N 2.96Å
355	W	94.4	Very high	91.9	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-66.3	-45.6	168.7	175.3	34.7	0	0	0	111.5	I328 Y329 S351 T352 S353 E357 A358 L359 R382 L383 F386	I328-W355 HydrophobicContact CB-CD2 4.39Å; I328-W355 HydrophobicContact CG1-CB 4.14Å; I328-W355 HydrophobicContact CG1-CD2 4.04Å; I328-W355 HydrophobicContact CG1-CE3 4.22Å; I328-W355 HydrophobicContact CG1-CG 4Å; I328-W355 HydrophobicContact CG2-CD2 4.34Å; I328-W355 HydrophobicContact CG2-CE3 4.06Å; I328-W355 HydrophobicContact CG2-CH2 4.31Å; I328-W355 HydrophobicContact CG2-CZ3 4.03Å; Y329-W355 HydrophobicContact CE2-CZ2 4.36Å; S351-W355 PolarHBondContact O-N 3.15Å; T352-W355 WeakPolarHBondContact O-CB 3.3Å; T352-W355 PolarHBondContact O-N 3.45Å; S353-W355 VanDerWaalsContact C-N 3.29Å; S353-W355 PolarHBondContact O-N 3.29Å; W355-E357 VanDerWaalsContact C-N 3.34Å; W355-E357 PolarHBondContact O-N 3.08Å; W355-A358 WeakPolarHBondContact O-CA 3.31Å; W355-A358 VanDerWaalsContact O-CB 3.31Å; W355-A358 WeakPolarHBondContact O-CB 3.43Å; W355-A358 PolarHBondContact O-N 2.94Å; W355-A358 VanDerWaalsContact O-N 3.08Å; W355-L359 HydrophobicContact CZ2-CD1 4.39Å; W355-L359 PolarHBondContact O-N 3.42Å; W355-R382 HydrophobicContact CH2-CB 4.36Å; W355-R382 HydrophobicContact CZ2-CB 4.27Å; W355-L383 HydrophobicContact CE3-CD2 4.06Å; W355-L383 HydrophobicContact CZ3-CD2 3.76Å; W355-F386 HydrophobicContact CH2-CB 3.72Å; W355-F386 HydrophobicContact CH2-CG 4.2Å; W355-F386 HydrophobicContact CZ3-CB 3.89Å; W355-F386 HydrophobicContact CZ3-CD1 4.01Å; W355-F386 AromaticContact CZ3-CG 3.95Å; W355-F386 HydrophobicContact CZ3-CG 3.95Å
356	A	93.8	Very high	91.3	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-61.9	-40.1	176	0	0	0	0	0	112.8	T352 S353 A358 L359 R360 Y375 L379 V423	T352-A356 PolarHBondContact O-N 3.2Å; S353-A356 PolarHBondContact O-N 3.2Å; A356-A358 VanDerWaalsContact C-N 3.3Å; A356-A358 PolarHBondContact O-N 2.94Å; A356-L359 PolarHBondContact O-N 2.81Å; A356-R360 PolarHBondContact O-N 3.3Å; A356-Y375 HydrophobicContact CB-CD1 4.34Å; A356-Y375 HydrophobicContact CB-CE1 3.86Å; A356-L379 HydrophobicContact CB-CD1 3.67Å; A356-V423 HydrophobicContact CB-CB 4.37Å; A356-V423 HydrophobicContact CB-CG1 3.95Å; A356-V423 HydrophobicContact CB-CG2 3.46Å; A356-V423 VanDerWaalsContact CB-CG2 3.46Å
357	E	92	Very high	90.8	Very high	49 Å²	49	29.3 Å²	29.3	23%	0.229	16%	0.156	C	C	.	.	H	α-helix	trans	-61.8	-38	172.2	-73.8	176.1	176.9	0	0	112.1	S353 R354 W355 R360 E361	S353-E357 WeakPolarHBondContact O-CG 3.3Å; S353-E357 PolarHBondContact O-N 3.36Å; R354-E357 VanDerWaalsContact CD-OE2 3.22Å; R354-E357 WeakPolarHBondContact CD-OE2 3.42Å; R354-E357 IonicContact CZ-OE1 2.76Å; R354-E357 IonicContact CZ-OE2 3.21Å; R354-E357 IonicContact NE-OE2 3.94Å; R354-E357 IonicContact NH1-OE1 3.05Å; R354-E357 PolarHBondContact NH1-OE1 2.84Å; R354-E357 IonicContact NH1-OE2 3.86Å; R354-E357 PolarHBondContact NH1-OE2 2.71Å; W355-E357 VanDerWaalsContact C-N 3.34Å; W355-E357 PolarHBondContact O-N 3.08Å; E357-R360 WeakPolarHBondContact O-CB 3.32Å; E357-R360 PolarHBondContact O-N 3.35Å; E357-E361 PolarHBondContact O-N 3.22Å
358	A	91.3	Very high	90.5	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-62.7	-45.7	175.1	0	0	0	0	0	111.3	V321 R324 R354 W355 A356 R360 E361 I362	V321-A358 VanDerWaalsContact CG1-CA 3.44Å; V321-A358 HydrophobicContact CG1-CB 3.45Å; V321-A358 VanDerWaalsContact CG1-CB 3.45Å; R324-A358 HydrophobicContact CB-CB 4.04Å; R354-A358 WeakPolarHBondContact O-CB 3.15Å; R354-A358 PolarHBondContact O-N 2.96Å; W355-A358 WeakPolarHBondContact O-CA 3.31Å; W355-A358 VanDerWaalsContact O-CB 3.31Å; W355-A358 WeakPolarHBondContact O-CB 3.43Å; W355-A358 PolarHBondContact O-N 2.94Å; W355-A358 VanDerWaalsContact O-N 3.08Å; A356-A358 VanDerWaalsContact C-N 3.3Å; A356-A358 PolarHBondContact O-N 2.94Å; A358-R360 VanDerWaalsContact C-N 3.29Å; A358-R360 PolarHBondContact O-N 3.48Å; A358-E361 PolarHBondContact O-N 3.14Å; A358-E361 VanDerWaalsContact O-N 3.16Å; A358-I362 VanDerWaalsContact O-CD1 3.3Å; A358-I362 WeakPolarHBondContact O-CD1 3.41Å; A358-I362 WeakPolarHBondContact O-CG1 3.33Å; A358-I362 PolarHBondContact O-N 2.91Å
359	L	92.3	Very high	90.4	Very high	4 Å²	4	41.3 Å²	41.3	2%	0.021	21%	0.214	C	C	.	.	H	α-helix	trans	-58.9	-41	174.6	-65.5	175.5	0	0	0	111.8	E325 W355 A356 I362 S363 P376 L379 R382	E325-L359 HydrophobicContact CG-CD2 4.36Å; W355-L359 HydrophobicContact CZ2-CD1 4.39Å; W355-L359 PolarHBondContact O-N 3.42Å; A356-L359 PolarHBondContact O-N 2.81Å; L359-I362 PolarHBondContact O-N 3.04Å; L359-S363 WeakPolarHBondContact O-CB 3.36Å; L359-S363 PolarHBondContact O-N 3.34Å; L359-S363 PolarHBondContact O-OG 3.47Å; L359-P376 HydrophobicContact CB-CG 4.2Å; L359-L379 HydrophobicContact CD1-CD1 4.2Å; L359-R382 HydrophobicContact CD1-CB 4.1Å; L359-R382 HydrophobicContact CD1-CG 4.21Å
360	R	92.7	Very high	90.4	Very high	97 Å²	97	45.3 Å²	45.3	37%	0.366	24%	0.24	S	C	.	.	H	α-helix	trans	-61.1	-42	174.7	173.8	173.7	77.4	178.9	0.5	112.9	A356 E357 A358 S363 G364 S373 G374 Y375	A356-R360 PolarHBondContact O-N 3.3Å; E357-R360 WeakPolarHBondContact O-CB 3.32Å; E357-R360 PolarHBondContact O-N 3.35Å; A358-R360 VanDerWaalsContact C-N 3.29Å; A358-R360 PolarHBondContact O-N 3.48Å; R360-S363 PolarHBondContact O-OG 2.59Å; R360-G364 PolarHBondContact O-N 3.19Å; R360-S373 PolarHBondContact NH1-O 2.98Å; R360-G374 VanDerWaalsContact CG-O 3.32Å; R360-G374 WeakPolarHBondContact CG-O 3.46Å; R360-Y375 HydrophobicContact CB-CD1 3.85Å; R360-Y375 HydrophobicContact CB-CE1 4.25Å
361	E	89.5	Confident	90.5	Very high	79 Å²	79	47.6 Å²	47.6	37%	0.369	26%	0.26	S	S	.	.	H	α-helix	trans	-68	-43.2	178.2	-175.2	173.3	165.8	0	0	111.3	V321 E357 A358 G364 R365	V321-E361 HydrophobicContact CG1-CB 4.16Å; V321-E361 VanDerWaalsContact CG2-OE2 3.32Å; V321-E361 WeakPolarHBondContact CG2-OE2 3.3Å; E357-E361 PolarHBondContact O-N 3.22Å; A358-E361 PolarHBondContact O-N 3.14Å; A358-E361 VanDerWaalsContact O-N 3.16Å; E361-G364 PolarHBondContact O-N 3.4Å; E361-R365 VanDerWaalsContact O-CG 3.27Å; E361-R365 WeakPolarHBondContact O-CG 3.41Å; E361-R365 PolarHBondContact O-N 3.47Å
362	I	86.4	Confident	90.6	Very high	14 Å²	14	53.5 Å²	53.5	7%	0.072	29%	0.291	C	S	.	.	H	α-helix	trans	-61.3	-48.3	177.8	-62.5	157.6	0	0	0	110.3	A358 L359 G364 R365 L366	A358-I362 VanDerWaalsContact O-CD1 3.3Å; A358-I362 WeakPolarHBondContact O-CD1 3.41Å; A358-I362 WeakPolarHBondContact O-CG1 3.33Å; A358-I362 PolarHBondContact O-N 2.91Å; L359-I362 PolarHBondContact O-N 3.04Å; I362-G364 VanDerWaalsContact C-N 3.32Å; I362-G364 PolarHBondContact O-N 3.37Å; I362-R365 PolarHBondContact O-N 3.13Å; I362-L366 HydrophobicContact CG2-CD1 3.98Å; I362-L366 WeakPolarHBondContact O-CG 3.45Å; I362-L366 PolarHBondContact O-N 3.18Å
363	S	89.8	Confident	90.4	Very high	3 Å²	3	57.5 Å²	57.5	2%	0.021	32%	0.319	C	S	.	.	H	α-helix	trans	-61.5	-40.2	178.2	68.6	0	0	0	0	112.1	L359 R360 R365 L366 A367 E368	L359-S363 WeakPolarHBondContact O-CB 3.36Å; L359-S363 PolarHBondContact O-N 3.34Å; L359-S363 PolarHBondContact O-OG 3.47Å; R360-S363 PolarHBondContact O-OG 2.59Å; S363-R365 PolarHBondContact O-N 2.92Å; S363-L366 PolarHBondContact O-N 2.84Å; S363-A367 PolarHBondContact O-N 3.44Å; S363-E368 WeakPolarHBondContact CB-OE2 3.42Å; S363-E368 PolarHBondContact O-N 3.43Å
364	G	89	Confident	90.4	Very high	53 Å²	53	58.7 Å²	58.7	55%	0.546	33%	0.332	S	S	.	.	H	α-helix	trans	-62.7	-39.3	175.6	0	0	0	0	0	113	R360 E361 I362 L366 A367	R360-G364 PolarHBondContact O-N 3.19Å; E361-G364 PolarHBondContact O-N 3.4Å; I362-G364 VanDerWaalsContact C-N 3.32Å; I362-G364 PolarHBondContact O-N 3.37Å; G364-L366 VanDerWaalsContact C-N 3.3Å; G364-L366 PolarHBondContact O-N 3.46Å; G364-A367 PolarHBondContact O-N 3.44Å
365	R	84.9	Confident	90.5	Very high	129 Å²	129	56.1 Å²	56.1	49%	0.487	32%	0.322	S	S	.	.	H	α-helix	trans	-68.2	-30.1	175.4	-66.7	-71.7	-178.5	179.9	-0.4	112.7	V29 E361 I362 S363 A367	V29-R365 HydrophobicContact CG2-CB 3.92Å; E361-R365 VanDerWaalsContact O-CG 3.27Å; E361-R365 WeakPolarHBondContact O-CG 3.41Å; E361-R365 PolarHBondContact O-N 3.47Å; I362-R365 PolarHBondContact O-N 3.13Å; S363-R365 PolarHBondContact O-N 2.92Å; R365-A367 PolarHBondContact O-N 3.41Å
366	L	84	Confident	90.5	Very high	24 Å²	24	56.3 Å²	56.3	13%	0.126	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-2.5	176	-65.6	168.7	0	0	0	113.7	I56 T64 I362 S363 G364 E368	I56-L366 HydrophobicContact CD1-CD1 3.77Å; I56-L366 HydrophobicContact CD1-CD2 3.45Å; I56-L366 VanDerWaalsContact CD1-CD2 3.45Å; I56-L366 HydrophobicContact CD1-CG 4.07Å; I56-L366 HydrophobicContact CG1-CD2 4.48Å; T64-L366 HydrophobicContact CG2-CD2 3.94Å; I362-L366 HydrophobicContact CG2-CD1 3.98Å; I362-L366 WeakPolarHBondContact O-CG 3.45Å; I362-L366 PolarHBondContact O-N 3.18Å; S363-L366 PolarHBondContact O-N 2.84Å; G364-L366 VanDerWaalsContact C-N 3.3Å; G364-L366 PolarHBondContact O-N 3.46Å; L366-E368 HydrophobicContact CB-CG 3.96Å; L366-E368 PolarHBondContact O-N 2.89Å
367	A	86.7	Confident	90.5	Very high	90 Å²	90	60.5 Å²	60.5	74%	0.744	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.9	34	-173.4	0	0	0	0	0	112.7	S363 G364 R365	S363-A367 PolarHBondContact O-N 3.44Å; G364-A367 PolarHBondContact O-N 3.44Å; R365-A367 PolarHBondContact O-N 3.41Å
368	E	88.9	Confident	90.6	Very high	78 Å²	78	61.5 Å²	61.5	36%	0.364	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-70.8	146	170.2	-66.2	-179.5	157.3	0	0	109.9	S363 L366 P370 Y378	S363-E368 WeakPolarHBondContact CB-OE2 3.42Å; S363-E368 PolarHBondContact O-N 3.43Å; L366-E368 HydrophobicContact CB-CG 3.96Å; L366-E368 PolarHBondContact O-N 2.89Å; E368-P370 WeakPolarHBondContact O-CD 3.05Å; E368-Y378 WeakPolarHBondContact OE2-CE1 3.06Å; E368-Y378 PolarHBondContact OE2-OH 2.91Å
369	M	93.8	Very high	90.7	Very high	174 Å²	174	62 Å²	62	86%	0.857	36%	0.363	S	S	*	.	P	Polyproline II helix	trans	-66.7	123.7	175.7	-69	-173	-66.3	0	0	109.7
370	P	94.1	Very high	90.8	Very high	85 Å²	85	63.3 Å²	63.3	55%	0.552	38%	0.378	S	S	*	.	B	Isolated β-bridge	trans	-71.6	151.3	174.8	29.7	-33.6	0	0	0	110.9	E368	E368-P370 WeakPolarHBondContact O-CD 3.05Å
371	A	92.2	Very high	90.9	Very high	51 Å²	51	61.8 Å²	61.8	42%	0.421	39%	0.386	S	S	.	.			trans	-94.1	-135.8	163.7	0	0	0	0	0	109	Y375	A371-Y375 PolarHBondContact N-O 2.99Å
372	D	90.2	Very high	91.1	Very high	123 Å²	123	60.6 Å²	60.6	66%	0.658	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-67.7	137.5	-176.6	-58.9	-35.3	0	0	0	112.6	G374 Y375 P422	D372-G374 PolarHBondContact O-N 2.8Å; D372-Y375 WeakPolarHBondContact O-CD2 3.3Å; D372-Y375 PolarHBondContact O-N 2.92Å; D372-P422 HydrophobicContact CB-CG 3.96Å
373	S	88.5	Confident	91.6	Very high	85 Å²	85	60 Å²	60	59%	0.594	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	49.8	26	179.3	-59.7	0	0	0	0	115.5	R360	R360-S373 PolarHBondContact NH1-O 2.98Å
374	G	92.4	Very high	91.8	Very high	29 Å²	29	61.3 Å²	61.3	30%	0.299	39%	0.386	S	S	.	.	G	3₁₀ helix	trans	88.6	-8	178.8	0	0	0	0	0	115.3	R360 D372	R360-G374 VanDerWaalsContact CG-O 3.32Å; R360-G374 WeakPolarHBondContact CG-O 3.46Å; D372-G374 PolarHBondContact O-N 2.8Å
375	Y	94.1	Very high	92.1	Very high	11 Å²	11	61.6 Å²	61.6	4%	0.043	38%	0.38	C	S	.	.			trans	-69.8	153	-179.6	-67	-74.9	0	0	0	112	A356 R360 A371 D372 L379 P422 V423	A356-Y375 HydrophobicContact CB-CD1 4.34Å; A356-Y375 HydrophobicContact CB-CE1 3.86Å; R360-Y375 HydrophobicContact CB-CD1 3.85Å; R360-Y375 HydrophobicContact CB-CE1 4.25Å; A371-Y375 PolarHBondContact N-O 2.99Å; D372-Y375 WeakPolarHBondContact O-CD2 3.3Å; D372-Y375 PolarHBondContact O-N 2.92Å; Y375-L379 HydrophobicContact CD1-CD2 3.93Å; Y375-L379 HydrophobicContact CD2-CD2 4.27Å; Y375-L379 HydrophobicContact CG-CD2 3.75Å; Y375-P422 HydrophobicContact CD2-CB 3.83Å; Y375-P422 HydrophobicContact CD2-CG 3.95Å; Y375-P422 HydrophobicContact CE2-CB 4.13Å; Y375-P422 HydrophobicContact CE2-CG 4.14Å; Y375-V423 HydrophobicContact CE1-CG2 3.83Å; Y375-V423 HydrophobicContact CE2-CG2 4Å; Y375-V423 VanDerWaalsContact CZ-CG2 3.49Å; Y375-V423 WeakPolarHBondContact OH-CG2 3.32Å
376	P	93.7	Very high	92.7	Very high	4 Å²	4	55.5 Å²	55.5	3%	0.026	36%	0.357	C	S	.	.	B	Isolated β-bridge	trans	-69.4	152.3	175.9	27.5	-33.7	0	0	0	111.7	L359 Y378 L379	L359-P376 HydrophobicContact CB-CG 4.2Å; P376-Y378 HydrophobicContact CB-CD1 3.98Å; P376-Y378 HydrophobicContact CB-CD2 4.03Å; P376-Y378 HydrophobicContact CB-CE1 3.58Å; P376-Y378 HydrophobicContact CB-CE2 3.63Å; P376-Y378 HydrophobicContact CB-CG 4.19Å; P376-Y378 HydrophobicContact CG-CD2 3.95Å; P376-Y378 HydrophobicContact CG-CE1 4.37Å; P376-Y378 HydrophobicContact CG-CE2 3.47Å; P376-Y378 VanDerWaalsContact CG-CE2 3.47Å; P376-Y378 PolarHBondContact O-N 2.84Å; P376-Y378 VanDerWaalsContact O-N 3.09Å; P376-L379 WeakPolarHBondContact O-CB 3.39Å; P376-L379 PolarHBondContact O-N 3.21Å
377	A	94.2	Very high	93.3	Very high	88 Å²	88	54.4 Å²	54.4	73%	0.727	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-24.8	178.1	0	0	0	0	0	113.7
378	Y	93.5	Very high	93.7	Very high	71 Å²	71	56 Å²	56	28%	0.278	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	6	178.5	54.4	-104.3	0	0	0	114.6	E368 P376 G380 A381 R382	E368-Y378 WeakPolarHBondContact OE2-CE1 3.06Å; E368-Y378 PolarHBondContact OE2-OH 2.91Å; P376-Y378 HydrophobicContact CB-CD1 3.98Å; P376-Y378 HydrophobicContact CB-CD2 4.03Å; P376-Y378 HydrophobicContact CB-CE1 3.58Å; P376-Y378 HydrophobicContact CB-CE2 3.63Å; P376-Y378 HydrophobicContact CB-CG 4.19Å; P376-Y378 HydrophobicContact CG-CD2 3.95Å; P376-Y378 HydrophobicContact CG-CE1 4.37Å; P376-Y378 HydrophobicContact CG-CE2 3.47Å; P376-Y378 VanDerWaalsContact CG-CE2 3.47Å; P376-Y378 PolarHBondContact O-N 2.84Å; P376-Y378 VanDerWaalsContact O-N 3.09Å; Y378-G380 VanDerWaalsContact C-N 3.33Å; Y378-G380 PolarHBondContact O-N 2.81Å; Y378-A381 PolarHBondContact O-N 2.85Å; Y378-R382 HydrophobicContact CD2-CG 3.8Å; Y378-R382 WeakPolarHBondContact O-CG 3.29Å; Y378-R382 PolarHBondContact O-N 2.92Å
379	L	94.3	Very high	94.1	Very high	9 Å²	9	52.8 Å²	52.8	5%	0.047	33%	0.328	C	S	.	.	H	α-helix	trans	-53.2	-49.8	179.1	175.1	64.6	0	0	0	111.8	A356 L359 Y375 P376 A381 R382 L383 V423	A356-L379 HydrophobicContact CB-CD1 3.67Å; L359-L379 HydrophobicContact CD1-CD1 4.2Å; Y375-L379 HydrophobicContact CD1-CD2 3.93Å; Y375-L379 HydrophobicContact CD2-CD2 4.27Å; Y375-L379 HydrophobicContact CG-CD2 3.75Å; P376-L379 WeakPolarHBondContact O-CB 3.39Å; P376-L379 PolarHBondContact O-N 3.21Å; L379-A381 VanDerWaalsContact C-N 3.34Å; L379-A381 PolarHBondContact O-N 3.44Å; L379-R382 PolarHBondContact O-N 3.03Å; L379-L383 HydrophobicContact CD1-CD1 4.15Å; L379-L383 HydrophobicContact CD1-CG 4.27Å; L379-L383 HydrophobicContact CG-CD1 4.17Å; L379-L383 WeakPolarHBondContact O-CG 3.35Å; L379-L383 PolarHBondContact O-N 3.41Å; L379-V423 HydrophobicContact CD2-CG2 4.24Å
380	G	94.1	Very high	94.2	Very high	32 Å²	32	44.8 Å²	44.8	33%	0.33	29%	0.29	S	S	.	.	H	α-helix	trans	-60.9	-40.9	179.4	0	0	0	0	0	112.9	Y378 R382 L383 A384	Y378-G380 VanDerWaalsContact C-N 3.33Å; Y378-G380 PolarHBondContact O-N 2.81Å; G380-R382 PolarHBondContact O-N 3.44Å; G380-L383 PolarHBondContact O-N 3.26Å; G380-A384 VanDerWaalsContact O-CB 3.29Å; G380-A384 WeakPolarHBondContact O-CB 3.44Å; G380-A384 PolarHBondContact O-N 3.02Å
381	A	95.1	Very high	94.3	Very high	66 Å²	66	41.4 Å²	41.4	55%	0.545	27%	0.27	S	S	.	.	H	α-helix	trans	-66.9	-35.5	177.5	0	0	0	0	0	112.5	Y378 L379 S385	Y378-A381 PolarHBondContact O-N 2.85Å; L379-A381 VanDerWaalsContact C-N 3.34Å; L379-A381 PolarHBondContact O-N 3.44Å; A381-S385 WeakPolarHBondContact O-CB 3.5Å; A381-S385 PolarHBondContact O-N 3.2Å; A381-S385 PolarHBondContact O-OG 3.42Å
382	R	93.9	Very high	94.5	Very high	54 Å²	54	41.4 Å²	41.4	20%	0.204	26%	0.259	C	S	.	.	H	α-helix	trans	-67.9	-46.7	175.2	-70.1	-68.6	-173.2	-179	0.9	111.3	Y41 Y329 W355 L359 Y378 L379 G380 A384 S385 F386	Y41-R382 PolarHBondContact OH-NH2 3.18Å; Y329-R382 WeakPolarHBondContact OH-CD 3.44Å; Y329-R382 PolarHBondContact OH-NH1 3.18Å; W355-R382 HydrophobicContact CH2-CB 4.36Å; W355-R382 HydrophobicContact CZ2-CB 4.27Å; L359-R382 HydrophobicContact CD1-CB 4.1Å; L359-R382 HydrophobicContact CD1-CG 4.21Å; Y378-R382 HydrophobicContact CD2-CG 3.8Å; Y378-R382 WeakPolarHBondContact O-CG 3.29Å; Y378-R382 PolarHBondContact O-N 2.92Å; L379-R382 PolarHBondContact O-N 3.03Å; G380-R382 PolarHBondContact O-N 3.44Å; R382-A384 VanDerWaalsContact C-N 3.34Å; R382-A384 PolarHBondContact O-N 3.48Å; R382-S385 PolarHBondContact O-N 3.44Å; R382-S385 PolarHBondContact O-OG 3.01Å; R382-F386 PolarHBondContact O-N 3.41Å; R382-F386 VanDerWaalsContact O-N 3.11Å
383	L	95.5	Very high	94.8	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-61.2	-43.9	175.3	-67.5	174.5	0	0	0	111.2	W355 L379 G380 F386 Y387 V423 A426 I430	W355-L383 HydrophobicContact CE3-CD2 4.06Å; W355-L383 HydrophobicContact CZ3-CD2 3.76Å; L379-L383 HydrophobicContact CD1-CD1 4.15Å; L379-L383 HydrophobicContact CD1-CG 4.27Å; L379-L383 HydrophobicContact CG-CD1 4.17Å; L379-L383 WeakPolarHBondContact O-CG 3.35Å; L379-L383 PolarHBondContact O-N 3.41Å; G380-L383 PolarHBondContact O-N 3.26Å; L383-F386 PolarHBondContact O-N 2.85Å; L383-Y387 VanDerWaalsContact O-CD2 3.28Å; L383-Y387 WeakPolarHBondContact O-CD2 3.49Å; L383-Y387 PolarHBondContact O-N 2.87Å; L383-V423 HydrophobicContact CD1-CG1 4.42Å; L383-A426 HydrophobicContact CD1-CB 3.73Å; L383-I430 HydrophobicContact CB-CD1 3.62Å
384	A	95.6	Very high	95.1	Very high	32 Å²	32	33.2 Å²	33.2	26%	0.264	21%	0.207	S	C	.	.	H	α-helix	trans	-62.7	-48.4	179.2	0	0	0	0	0	111.7	G380 R382 F386 Y387 E388 I430	G380-A384 VanDerWaalsContact O-CB 3.29Å; G380-A384 WeakPolarHBondContact O-CB 3.44Å; G380-A384 PolarHBondContact O-N 3.02Å; R382-A384 VanDerWaalsContact C-N 3.34Å; R382-A384 PolarHBondContact O-N 3.48Å; A384-F386 PolarHBondContact O-N 3.05Å; A384-Y387 PolarHBondContact O-N 2.93Å; A384-E388 VanDerWaalsContact O-CB 3.29Å; A384-E388 WeakPolarHBondContact O-CB 3.45Å; A384-E388 VanDerWaalsContact O-CG 3.28Å; A384-E388 WeakPolarHBondContact O-CG 3.25Å; A384-E388 PolarHBondContact O-N 3.09Å; A384-I430 HydrophobicContact CB-CD1 3.92Å; A384-I430 HydrophobicContact CB-CG1 4.22Å
385	S	95.6	Very high	95.2	Very high	59 Å²	59	31.9 Å²	31.9	41%	0.413	19%	0.193	S	C	.	.	H	α-helix	trans	-64.4	-24.4	179	60.1	0	0	0	0	113.5	A381 R382 R389	A381-S385 WeakPolarHBondContact O-CB 3.5Å; A381-S385 PolarHBondContact O-N 3.2Å; A381-S385 PolarHBondContact O-OG 3.42Å; R382-S385 PolarHBondContact O-N 3.44Å; R382-S385 PolarHBondContact O-OG 3.01Å; S385-R389 WeakPolarHBondContact O-CG 3.28Å
386	F	96.5	Very high	95.2	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-76.3	-54	171	166.8	-108.2	0	0	0	112.6	I328 I332 M347 A349 W355 R382 L383 A384 E388 R389 I408	I328-F386 HydrophobicContact CG2-CD2 3.49Å; I328-F386 VanDerWaalsContact CG2-CD2 3.49Å; I328-F386 HydrophobicContact CG2-CE2 3.44Å; I328-F386 VanDerWaalsContact CG2-CE2 3.44Å; I328-F386 HydrophobicContact CG2-CG 4.12Å; I328-F386 HydrophobicContact CG2-CZ 4.03Å; I332-F386 HydrophobicContact CB-CD2 4.32Å; I332-F386 HydrophobicContact CB-CE2 4.02Å; I332-F386 HydrophobicContact CG1-CD2 4.48Å; I332-F386 HydrophobicContact CG1-CE2 4.38Å; I332-F386 HydrophobicContact CG2-CD2 4.41Å; M347-F386 HydrophobicContact CE-CE2 3.59Å; M347-F386 HydrophobicContact CE-CZ 3.79Å; M347-F386 HydrophobicContact SD-CE2 3.9Å; M347-F386 HydrophobicContact SD-CZ 4.1Å; A349-F386 HydrophobicContact CB-CZ 4.17Å; W355-F386 HydrophobicContact CH2-CB 3.72Å; W355-F386 HydrophobicContact CH2-CG 4.2Å; W355-F386 HydrophobicContact CZ3-CB 3.89Å; W355-F386 HydrophobicContact CZ3-CD1 4.01Å; W355-F386 AromaticContact CZ3-CG 3.95Å; W355-F386 HydrophobicContact CZ3-CG 3.95Å; R382-F386 PolarHBondContact O-N 3.41Å; R382-F386 VanDerWaalsContact O-N 3.11Å; L383-F386 PolarHBondContact O-N 2.85Å; A384-F386 PolarHBondContact O-N 3.05Å; F386-E388 VanDerWaalsContact C-N 3.35Å; F386-E388 PolarHBondContact O-N 2.85Å; F386-R389 WeakPolarHBondContact O-CB 3.21Å; F386-R389 PolarHBondContact O-N 2.93Å; F386-I408 HydrophobicContact CE1-CD1 4.42Å; F386-I408 HydrophobicContact CE1-CG2 3.74Å; F386-I408 HydrophobicContact CE2-CD1 4.27Å; F386-I408 HydrophobicContact CZ-CD1 4.12Å; F386-I408 HydrophobicContact CZ-CG2 3.72Å
387	Y	96.5	Very high	94.9	Very high	1 Å²	1	34.6 Å²	34.6	0%	0.004	21%	0.213	C	C	.	.	H	α-helix	trans	-67.3	-32.7	-176.2	-79.6	-72	0	0	0	112.9	T246 L383 A384 R389 A390 I408 T427 I430 V431	T246-Y387 HydrophobicContact CG2-CD1 4.14Å; T246-Y387 WeakPolarHBondContact CG2-O 3.25Å; L383-Y387 VanDerWaalsContact O-CD2 3.28Å; L383-Y387 WeakPolarHBondContact O-CD2 3.49Å; L383-Y387 PolarHBondContact O-N 2.87Å; A384-Y387 PolarHBondContact O-N 2.93Å; Y387-R389 PolarHBondContact O-N 2.96Å; Y387-A390 WeakPolarHBondContact O-CB 3.2Å; Y387-A390 PolarHBondContact O-N 2.76Å; Y387-A390 VanDerWaalsContact O-N 3.09Å; Y387-I408 HydrophobicContact CD1-CB 4.33Å; Y387-I408 HydrophobicContact CD1-CG2 3.79Å; Y387-I408 HydrophobicContact CE1-CG2 3.71Å; Y387-T427 HydrophobicContact CE2-CG2 3.94Å; Y387-I430 HydrophobicContact CD2-CG2 4.18Å; Y387-I430 HydrophobicContact CG-CG2 4.16Å; Y387-V431 HydrophobicContact CD1-CG1 3.92Å; Y387-V431 HydrophobicContact CD2-CG1 4.43Å; Y387-V431 HydrophobicContact CE1-CG1 3.7Å; Y387-V431 HydrophobicContact CE2-CG1 4.25Å; Y387-V431 HydrophobicContact CG-CG1 4.29Å
388	E	95.5	Very high	94.2	Very high	123 Å²	123	31.6 Å²	31.6	58%	0.575	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-9.7	178	-72.1	-62.4	136.1	0	0	114.1	K221 A384 F386	K221-E388 PolarHBondContact NZ-O 3.05Å; A384-E388 VanDerWaalsContact O-CB 3.29Å; A384-E388 WeakPolarHBondContact O-CB 3.45Å; A384-E388 VanDerWaalsContact O-CG 3.28Å; A384-E388 WeakPolarHBondContact O-CG 3.25Å; A384-E388 PolarHBondContact O-N 3.09Å; F386-E388 VanDerWaalsContact C-N 3.35Å; F386-E388 PolarHBondContact O-N 2.85Å
389	R	96.8	Very high	93	Very high	11 Å²	11	33.5 Å²	33.5	4%	0.042	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-21.7	169.8	-71.5	175.7	75.1	171.2	-1.5	112.3	V212 P215 I332 T333 E336 S385 F386 Y387	V212-R389 PolarHBondContact O-NH1 2.92Å; P215-R389 HydrophobicContact CB-CG 4.23Å; P215-R389 HydrophobicContact CG-CG 4.14Å; I332-R389 HydrophobicContact CD1-CB 4.03Å; I332-R389 HydrophobicContact CG1-CB 3.77Å; I332-R389 HydrophobicContact CG1-CG 4.45Å; I332-R389 VanDerWaalsContact CG2-CZ 3.42Å; I332-R389 VanDerWaalsContact CG2-NH1 3.28Å; T333-R389 PolarHBondContact OG1-NH2 3.22Å; E336-R389 VanDerWaalsContact CD-NE 3.35Å; E336-R389 VanDerWaalsContact CD-NH2 3.29Å; E336-R389 WeakPolarHBondContact OE1-CB 3.28Å; E336-R389 WeakPolarHBondContact OE1-CG 3.45Å; E336-R389 IonicContact OE1-CZ 2.88Å; E336-R389 IonicContact OE1-NE 3.16Å; E336-R389 PolarHBondContact OE1-NE 2.97Å; E336-R389 IonicContact OE1-NH2 3.49Å; E336-R389 IonicContact OE2-CZ 2.92Å; E336-R389 IonicContact OE2-NE 3.58Å; E336-R389 PolarHBondContact OE2-NE 2.86Å; E336-R389 IonicContact OE2-NH2 3.65Å; E336-R389 PolarHBondContact OE2-NH2 3.16Å; S385-R389 WeakPolarHBondContact O-CG 3.28Å; F386-R389 WeakPolarHBondContact O-CB 3.21Å; F386-R389 PolarHBondContact O-N 2.93Å; Y387-R389 PolarHBondContact O-N 2.96Å
390	A	96.1	Very high	92.2	Very high	7 Å²	7	39 Å²	39	6%	0.058	24%	0.241	C	C	.	.			trans	-61.5	165.2	169	0	0	0	0	0	111.7	K221 T246 Y387 V406 I408	K221-A390 PolarHBondContact NZ-O 2.83Å; T246-A390 HydrophobicContact CG2-CB 3.61Å; Y387-A390 WeakPolarHBondContact O-CB 3.2Å; Y387-A390 PolarHBondContact O-N 2.76Å; Y387-A390 VanDerWaalsContact O-N 3.09Å; A390-V406 VanDerWaalsContact CA-O 3.32Å; A390-V406 WeakPolarHBondContact CA-O 3.43Å; A390-V406 VanDerWaalsContact CB-O 3.31Å; A390-V406 WeakPolarHBondContact CB-O 3.49Å; A390-I408 HydrophobicContact CB-CB 4.32Å; A390-I408 HydrophobicContact CB-CD1 3.71Å; A390-I408 HydrophobicContact CB-CG1 3.77Å
391	G	95.8	Very high	91.9	Very high	13 Å²	13	43.1 Å²	43.1	13%	0.134	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	136	157.7	173.9	0	0	0	0	0	113.1	G244 S405 V406	G244-G391 WeakPolarHBondContact O-CA 3.43Å; G244-G391 PolarHBondContact O-N 2.75Å; G391-S405 WeakPolarHBondContact O-CA 3.42Å; G391-V406 PolarHBondContact N-O 2.81Å; G391-V406 PolarHBondContact O-N 2.96Å
392	R	96.5	Very high	91.8	Very high	51 Å²	51	40.4 Å²	40.4	19%	0.192	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	134.7	163.9	-178.6	-178.7	168.5	142.5	2.8	108.7	L222 N225 H226 G404	L222-R392 HydrophobicContact CB-CG 4.24Å; L222-R392 PolarHBondContact N-O 3.23Å; L222-R392 VanDerWaalsContact O-O 3.12Å; N225-R392 PolarHBondContact OD1-NH1 2.93Å; H226-R392 PolarHBondContact ND1-NH1 3.29Å; R392-G404 WeakPolarHBondContact CA-O 3.4Å
393	V	96.6	Very high	91.9	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	155	-175.6	-56	0	0	0	0	111.2	V218 E220 K221 R339 Y403 G404	V218-V393 HydrophobicContact CB-CB 4.14Å; V218-V393 HydrophobicContact CB-CG1 4.38Å; V218-V393 HydrophobicContact CB-CG2 4.36Å; V218-V393 HydrophobicContact CG1-CB 4.05Å; V218-V393 HydrophobicContact CG1-CG1 4.1Å; V218-V393 HydrophobicContact CG1-CG2 3.86Å; V218-V393 HydrophobicContact CG2-CB 4.47Å; V218-V393 HydrophobicContact CG2-CG1 4.29Å; E220-V393 CarbonylContact O-C 3.54Å; E220-V393 WeakPolarHBondContact O-CA 3.43Å; E220-V393 WeakPolarHBondContact O-CB 3.28Å; K221-V393 HydrophobicContact CD-CG1 3.89Å; K221-V393 HydrophobicContact CG-CG1 4.2Å; R339-V393 HydrophobicContact CG-CG2 3.95Å; V393-Y403 WeakPolarHBondContact O-CA 3.46Å; V393-G404 PolarHBondContact N-O 2.85Å; V393-G404 PolarHBondContact O-N 3.26Å; V393-G404 VanDerWaalsContact O-N 3.16Å
394	H	95.6	Very high	91.9	Very high	37 Å²	37	43 Å²	43	17%	0.171	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	116.5	157.3	-177.1	-164.1	0	0	0	107.8	A219 E220 L222 L401 R402 Y403	A219-H394 HydrophobicContact CB-CB 4.3Å; A219-H394 WeakPolarHBondContact CB-O 3.45Å; A219-H394 PolarHBondContact N-O 3.16Å; E220-H394 HydrophobicContact CB-CB 4.13Å; E220-H394 PolarHBondContact N-O 3.39Å; E220-H394 PolarHBondContact O-N 2.83Å; L222-H394 HydrophobicContact CD1-CB 4.32Å; H394-L401 VanDerWaalsContact NE2-CD2 3.28Å; H394-L401 WeakPolarHBondContact NE2-CD2 3.39Å; H394-R402 PolarHBondContact CD2-O 2.71Å; H394-Y403 HydrophobicContact CB-CD1 4.43Å; H394-Y403 HydrophobicContact CB-CE1 4.33Å
395	C	94.9	Very high	92	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.007	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-68.8	154.2	-177.9	-56	0	0	0	0	110.9	R339 R402	R339-C395 PolarHBondContact O-SG 2.85Å; C395-R402 HydrophobicContact CB-CB 4.04Å; C395-R402 PolarHBondContact N-O 3.23Å
396	L	93.3	Very high	92.1	Very high	50 Å²	50	38.8 Å²	38.8	26%	0.262	21%	0.21	S	C	.	.	S	Bend	trans	-70.9	151.2	171.5	-73.8	173.5	0	0	0	111.6	G151 P217 A219 R402	G151-L396 CarbonylContact C-O 3.55Å; P217-L396 HydrophobicContact CB-CD1 3.76Å; P217-L396 HydrophobicContact CG-CD1 3.7Å; P217-L396 WeakPolarHBondContact O-CD1 3.45Å; A219-L396 HydrophobicContact CB-CD2 4.05Å; L396-R402 PolarHBondContact O-NH2 3.07Å
397	G	87.4	Confident	92.1	Very high	22 Å²	22	39 Å²	39	23%	0.227	21%	0.212	C	C	.	.			trans	86.5	156.3	171.5	0	0	0	0	0	115.4	D152 R402	D152-G397 VanDerWaalsContact OD1-C 3.25Å; D152-G397 WeakPolarHBondContact OD1-CA 3.44Å; G397-R402 PolarHBondContact O-NH2 3.1Å; G397-R402 VanDerWaalsContact O-NH2 3.13Å
398	G	79.3	Confident	92.1	Very high	24 Å²	24	38.9 Å²	38.9	25%	0.247	21%	0.212	C	C	.	.			trans	-110.1	-166.2	176.7	0	0	0	0	0	113.5	D152	D152-G398 PolarHBondContact OD1-N 2.89Å
399	P	67.4	Low	92.1	Very high	111 Å²	111	33.1 Å²	33.1	72%	0.721	19%	0.185	S	C	*	.	S	Bend	cis	-79.5	-25.1	1.1	31	-34.5	0	0	0	114.6
400	D	78.6	Confident	92	Very high	125 Å²	125	32.6 Å²	32.6	67%	0.668	18%	0.183	S	C	*	.	S	Bend	trans	-89.1	133.6	178.8	-64.5	-36.2	0	0	0	110.9	R402	D400-R402 PolarHBondContact O-N 2.95Å
401	L	87.6	Confident	91.8	Very high	118 Å²	118	32.3 Å²	32.3	62%	0.618	18%	0.181	S	C	*	.			trans	-64.1	120.8	171.8	-61.2	173	0	0	0	108.9	H394 Y403	H394-L401 VanDerWaalsContact NE2-CD2 3.28Å; H394-L401 WeakPolarHBondContact NE2-CD2 3.39Å; L401-Y403 HydrophobicContact CB-CE2 4.45Å
402	R	93.8	Very high	91.7	Very high	10 Å²	10	31.8 Å²	31.8	4%	0.038	17%	0.174	C	C	.	.			trans	-112.5	133.5	-179.5	-72.6	168.5	-70.9	157.6	-5.6	110.4	G151 I153 M168 D340 H394 C395 L396 G397 D400	G151-R402 PolarHBondContact O-NH1 2.99Å; G151-R402 PolarHBondContact O-NH2 3.35Å; I153-R402 VanDerWaalsContact CD1-CD 3.47Å; I153-R402 VanDerWaalsContact CD1-NH1 3.35Å; I153-R402 VanDerWaalsContact CG1-NH1 3.27Å; M168-R402 PolarHBondContact SD-NH1 3.09Å; D340-R402 PolarHBondContact O-NH1 3.2Å; D340-R402 VanDerWaalsContact O-NH1 3.1Å; H394-R402 PolarHBondContact CD2-O 2.71Å; C395-R402 HydrophobicContact CB-CB 4.04Å; C395-R402 PolarHBondContact N-O 3.23Å; L396-R402 PolarHBondContact O-NH2 3.07Å; G397-R402 PolarHBondContact O-NH2 3.1Å; G397-R402 VanDerWaalsContact O-NH2 3.13Å; D400-R402 PolarHBondContact O-N 2.95Å
403	Y	95.2	Very high	91.4	Very high	107 Å²	107	29.8 Å²	29.8	42%	0.42	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	125.1	173	-57.1	-78	0	0	0	108.1	L222 G342 V393 H394 L401	L222-Y403 HydrophobicContact CD1-CD1 3.48Å; L222-Y403 VanDerWaalsContact CD1-CD1 3.48Å; L222-Y403 HydrophobicContact CD1-CE1 3.65Å; G342-Y403 CarbonylContact C-O 2.92Å; G342-Y403 WeakPolarHBondContact CA-O 3.47Å; V393-Y403 WeakPolarHBondContact O-CA 3.46Å; H394-Y403 HydrophobicContact CB-CD1 4.43Å; H394-Y403 HydrophobicContact CB-CE1 4.33Å; L401-Y403 HydrophobicContact CB-CE2 4.45Å
404	G	95.4	Very high	90.9	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.01	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	161.9	175.3	0	0	0	0	0	110.3	Y343 R392 V393	Y343-G404 WeakPolarHBondContact O-CA 3.44Å; R392-G404 WeakPolarHBondContact CA-O 3.4Å; V393-G404 PolarHBondContact N-O 2.85Å; V393-G404 PolarHBondContact O-N 3.26Å; V393-G404 VanDerWaalsContact O-N 3.16Å
405	S	97.1	Very high	90.4	Very high	2 Å²	2	31.9 Å²	31.9	1%	0.014	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	149.2	174	70	0	0	0	0	111.8	Y343 N344 V345 G391	Y343-S405 PolarHBondContact O-N 2.87Å; N344-S405 WeakPolarHBondContact CB-OG 3.33Å; N344-S405 PolarHBondContact OD1-OG 3.02Å; V345-S405 PolarHBondContact N-O 2.97Å; G391-S405 WeakPolarHBondContact O-CA 3.42Å
406	V	97.8	Very high	89.7	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	107.6	167.8	176.7	0	0	0	0	107.9	G244 I332 R339 V345 A390 G391 I408	G244-V406 CarbonylContact C-O 3.57Å; G244-V406 VanDerWaalsContact CA-O 3.27Å; G244-V406 WeakPolarHBondContact CA-O 3.17Å; I332-V406 HydrophobicContact CD1-CG1 3.95Å; R339-V406 HydrophobicContact CB-CG2 3.55Å; R339-V406 HydrophobicContact CG-CG2 3.87Å; V345-V406 HydrophobicContact CB-CG2 4.34Å; V345-V406 CarbonylContact O-C 3.37Å; V345-V406 WeakPolarHBondContact O-CA 3.45Å; A390-V406 VanDerWaalsContact CA-O 3.32Å; A390-V406 WeakPolarHBondContact CA-O 3.43Å; A390-V406 VanDerWaalsContact CB-O 3.31Å; A390-V406 WeakPolarHBondContact CB-O 3.49Å; G391-V406 PolarHBondContact N-O 2.81Å; G391-V406 PolarHBondContact O-N 2.96Å; V406-I408 HydrophobicContact CG1-CG1 4.12Å
407	G	96.4	Very high	89.1	Confident	4 Å²	4	34.5 Å²	34.5	4%	0.041	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	127.4	168.6	0	0	0	0	0	110.2	G245 V345 S346 M347	G245-G407 CarbonylContact O-C 3.55Å; G245-G407 VanDerWaalsContact O-CA 3.3Å; G245-G407 WeakPolarHBondContact O-CA 3.33Å; V345-G407 PolarHBondContact O-N 2.93Å; S346-G407 CarbonylContact C-O 3.38Å; S346-G407 WeakPolarHBondContact CA-O 3.3Å; M347-G407 PolarHBondContact N-O 3.18Å
408	I	96.8	Very high	89	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	125.9	177.5	-63.5	177.8	0	0	0	109.4	G245 T247 I332 M347 F386 Y387 A390 V406	G245-I408 PolarHBondContact O-N 3.47Å; T247-I408 PolarHBondContact N-O 3Å; I332-I408 HydrophobicContact CD1-CD1 3.64Å; I332-I408 HydrophobicContact CD1-CG1 4.18Å; M347-I408 HydrophobicContact CB-CG1 4.38Å; F386-I408 HydrophobicContact CE1-CD1 4.42Å; F386-I408 HydrophobicContact CE1-CG2 3.74Å; F386-I408 HydrophobicContact CE2-CD1 4.27Å; F386-I408 HydrophobicContact CZ-CD1 4.12Å; F386-I408 HydrophobicContact CZ-CG2 3.72Å; Y387-I408 HydrophobicContact CD1-CB 4.33Å; Y387-I408 HydrophobicContact CD1-CG2 3.79Å; Y387-I408 HydrophobicContact CE1-CG2 3.71Å; A390-I408 HydrophobicContact CB-CB 4.32Å; A390-I408 HydrophobicContact CB-CD1 3.71Å; A390-I408 HydrophobicContact CB-CG1 3.77Å; V406-I408 HydrophobicContact CG1-CG1 4.12Å
409	V	95.5	Very high	89.2	Confident	2 Å²	2	39.7 Å²	39.7	1%	0.012	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	104.3	171.8	-175.7	0	0	0	0	108.8	T247 I249 L264 M347 M348 A349 W435	T247-V409 WeakPolarHBondContact O-CA 3.46Å; I249-V409 HydrophobicContact CD1-CG1 3.47Å; I249-V409 VanDerWaalsContact CD1-CG1 3.47Å; I249-V409 HydrophobicContact CG1-CG1 3.84Å; L264-V409 HydrophobicContact CD2-CB 4.08Å; L264-V409 HydrophobicContact CD2-CG1 4.3Å; L264-V409 HydrophobicContact CD2-CG2 3.51Å; M347-V409 PolarHBondContact O-N 3.13Å; M348-V409 WeakPolarHBondContact CA-O 3.37Å; A349-V409 PolarHBondContact N-O 3.07Å; V409-W435 HydrophobicContact CG1-CZ3 4.48Å
410	G	94.5	Very high	90.2	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	121.9	-178.9	0	0	0	0	0	112.3	T247 A248 I249	T247-G410 PolarHBondContact O-N 3.49Å; A248-G410 CarbonylContact C-O 3.54Å; A248-G410 WeakPolarHBondContact CA-O 3.47Å; I249-G410 PolarHBondContact N-O 2.87Å
411	A	93.1	Very high	90.7	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.008	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	118.5	173.3	0	0	0	0	0	110.5	K257 A349 D350 S351 T352	K257-A411 HydrophobicContact CD-CB 4.35Å; A349-A411 PolarHBondContact O-N 3.44Å; D350-A411 HydrophobicContact CB-CB 4.31Å; D350-A411 WeakPolarHBondContact OD1-CB 3.36Å; S351-A411 WeakPolarHBondContact CA-O 3.5Å; S351-A411 WeakPolarHBondContact CB-O 3.41Å; S351-A411 PolarHBondContact OG-O 3.23Å; T352-A411 PolarHBondContact N-O 2.92Å; T352-A411 PolarHBondContact OG1-O 3.38Å
412	V	92.8	Very high	90.9	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.006	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	130	178.4	-168.6	0	0	0	0	108.3	A248 I249 P250 G251 S353 P414 V423 T427	A248-V412 HydrophobicContact CB-CG2 4.42Å; I249-V412 PolarHBondContact O-N 2.87Å; P250-V412 VanDerWaalsContact CA-O 3.27Å; P250-V412 WeakPolarHBondContact CA-O 3.33Å; P250-V412 HydrophobicContact CB-CB 4.08Å; G251-V412 PolarHBondContact N-O 3.12Å; S353-V412 VanDerWaalsContact OG-CG1 3.31Å; S353-V412 WeakPolarHBondContact OG-CG1 3.46Å; V412-P414 WeakPolarHBondContact O-CD 3.38Å; V412-V423 HydrophobicContact CG1-CG1 4.21Å; V412-T427 HydrophobicContact CG2-CG2 4.02Å
413	S	89.5	Confident	90.9	Very high	10 Å²	10	27.6 Å²	27.6	7%	0.07	18%	0.181	C	C	.	.			trans	-114.5	74	179.4	-68	0	0	0	0	109.8	K257 S353	K257-S413 WeakPolarHBondContact CE-OG 3.4Å; K257-S413 PolarHBondContact NZ-OG 2.93Å; S353-S413 PolarHBondContact OG-N 3.34Å
414	P	86.4	Confident	90.8	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.006	16%	0.161	C	C	.	.			trans	-59.3	142.3	178.4	21.2	-29.9	0	0	0	111.2	V412 G416 G417 D418 F419 D421	V412-P414 WeakPolarHBondContact O-CD 3.38Å; P414-G416 PolarHBondContact O-N 3.11Å; P414-G417 PolarHBondContact O-N 3.34Å; P414-G417 VanDerWaalsContact O-N 3.14Å; P414-D418 WeakPolarHBondContact CB-O 3.45Å; P414-F419 HydrophobicContact CG-CD1 4.35Å; P414-D421 HydrophobicContact CB-CB 4.28Å
415	P	84.9	Confident	90.7	Very high	80 Å²	80	25.3 Å²	25.3	52%	0.519	18%	0.18	S	C	.	.	G	3₁₀ helix	trans	-58.6	123.4	174.2	25.8	-33	0	0	0	109.6	G417 D418 D421	P415-G417 PolarHBondContact O-N 2.74Å; P415-G417 VanDerWaalsContact O-N 3.09Å; P415-D418 PolarHBondContact O-N 3.15Å; P415-D421 HydrophobicContact CG-CB 4.36Å
416	G	80.6	Confident	90.5	Very high	79 Å²	79	26 Å²	26	81%	0.814	19%	0.186	S	C	*	.	G	3₁₀ helix	trans	70.8	-2.5	-179.9	0	0	0	0	0	116.3	P414	P414-G416 PolarHBondContact O-N 3.11Å
417	G	80.6	Confident	90.4	Very high	26 Å²	26	26.1 Å²	26.1	27%	0.268	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	87	12.3	-170.7	0	0	0	0	0	114.1	P414 P415 F419	P414-G417 PolarHBondContact O-N 3.34Å; P414-G417 VanDerWaalsContact O-N 3.14Å; P415-G417 PolarHBondContact O-N 2.74Å; P415-G417 VanDerWaalsContact O-N 3.09Å; G417-F419 PolarHBondContact O-N 2.81Å
418	D	84.9	Confident	90.2	Very high	93 Å²	93	28 Å²	28	50%	0.497	20%	0.195	S	C	.	.			trans	-79.4	116.5	-178.4	-175	7.8	0	0	0	112.1	P414 P415 A420 D421	P414-D418 WeakPolarHBondContact CB-O 3.45Å; P415-D418 PolarHBondContact O-N 3.15Å; D418-A420 PolarHBondContact O-N 3.42Å; D418-A420 WeakPolarHBondContact OD1-CB 3.37Å; D418-A420 PolarHBondContact OD1-N 3.12Å; D418-D421 WeakPolarHBondContact O-CB 3.35Å; D418-D421 PolarHBondContact O-N 2.94Å
419	F	84.9	Confident	90	Very high	63 Å²	63	32.4 Å²	32.4	28%	0.276	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-10.1	178.7	-58.2	-35	0	0	0	113.9	P250 P414 G417 D421 T424 F434 I454	P250-F419 HydrophobicContact CB-CD1 4.24Å; P250-F419 HydrophobicContact CB-CE1 3.83Å; P250-F419 HydrophobicContact CG-CD1 4.48Å; P250-F419 HydrophobicContact CG-CE1 3.93Å; P414-F419 HydrophobicContact CG-CD1 4.35Å; G417-F419 PolarHBondContact O-N 2.81Å; F419-D421 PolarHBondContact O-N 2.69Å; F419-T424 HydrophobicContact CB-CG2 4.02Å; F419-T424 HydrophobicContact CD1-CG2 3.97Å; F419-T424 HydrophobicContact CG-CG2 4.36Å; F419-F434 HydrophobicContact CZ-CZ 4.5Å; F419-I454 HydrophobicContact CD2-CD1 4.47Å; F419-I454 HydrophobicContact CE2-CD1 3.45Å; F419-I454 VanDerWaalsContact CE2-CD1 3.45Å; F419-I454 HydrophobicContact CZ-CD1 3.95Å
420	A	87.3	Confident	90	Very high	72 Å²	72	33.1 Å²	33.1	60%	0.595	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-7.6	171.8	0	0	0	0	0	113.1	D418	D418-A420 PolarHBondContact O-N 3.42Å; D418-A420 WeakPolarHBondContact OD1-CB 3.37Å; D418-A420 PolarHBondContact OD1-N 3.12Å
421	D	89.6	Confident	90	Very high	13 Å²	13	33.1 Å²	33.1	7%	0.07	23%	0.23	C	C	.	.	S	Bend	trans	-55.9	138.7	174.8	172.6	79	0	0	0	111.6	P414 P415 D418 F419 V423 T424 S425	P414-D421 HydrophobicContact CB-CB 4.28Å; P415-D421 HydrophobicContact CG-CB 4.36Å; D418-D421 WeakPolarHBondContact O-CB 3.35Å; D418-D421 PolarHBondContact O-N 2.94Å; F419-D421 PolarHBondContact O-N 2.69Å; D421-V423 PolarHBondContact O-N 3.41Å; D421-V423 VanDerWaalsContact O-N 3.16Å; D421-V423 WeakPolarHBondContact OD2-CA 3.39Å; D421-V423 WeakPolarHBondContact OD2-CB 3.28Å; D421-V423 WeakPolarHBondContact OD2-CG2 3.27Å; D421-V423 PolarHBondContact OD2-N 2.98Å; D421-T424 PolarHBondContact O-N 3.28Å; D421-T424 PolarHBondContact OD2-N 3.46Å; D421-S425 PolarHBondContact O-N 3.5Å; D421-S425 PolarHBondContact O-OG 3.07Å
422	P	92.4	Very high	90.2	Very high	25 Å²	25	36.1 Å²	36.1	16%	0.162	24%	0.243	C	C	.	.	H	α-helix	trans	-56.2	-33.4	-177.6	-29.9	36.9	0	0	0	114.6	D372 Y375 A426	D372-P422 HydrophobicContact CB-CG 3.96Å; Y375-P422 HydrophobicContact CD2-CB 3.83Å; Y375-P422 HydrophobicContact CD2-CG 3.95Å; Y375-P422 HydrophobicContact CE2-CB 4.13Å; Y375-P422 HydrophobicContact CE2-CG 4.14Å; P422-A426 WeakPolarHBondContact O-CB 3.23Å; P422-A426 PolarHBondContact O-N 3.45Å
423	V	94	Very high	90.4	Very high	0 Å²	0	36 Å²	36	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-69.7	-41.7	178.4	-171.3	0	0	0	0	110.2	A356 Y375 L379 L383 V412 D421 T427	A356-V423 HydrophobicContact CB-CB 4.37Å; A356-V423 HydrophobicContact CB-CG1 3.95Å; A356-V423 HydrophobicContact CB-CG2 3.46Å; A356-V423 VanDerWaalsContact CB-CG2 3.46Å; Y375-V423 HydrophobicContact CE1-CG2 3.83Å; Y375-V423 HydrophobicContact CE2-CG2 4Å; Y375-V423 VanDerWaalsContact CZ-CG2 3.49Å; Y375-V423 WeakPolarHBondContact OH-CG2 3.32Å; L379-V423 HydrophobicContact CD2-CG2 4.24Å; L383-V423 HydrophobicContact CD1-CG1 4.42Å; V412-V423 HydrophobicContact CG1-CG1 4.21Å; D421-V423 PolarHBondContact O-N 3.41Å; D421-V423 VanDerWaalsContact O-N 3.16Å; D421-V423 WeakPolarHBondContact OD2-CA 3.39Å; D421-V423 WeakPolarHBondContact OD2-CB 3.28Å; D421-V423 WeakPolarHBondContact OD2-CG2 3.27Å; D421-V423 PolarHBondContact OD2-N 2.98Å; V423-T427 VanDerWaalsContact O-CB 3.27Å; V423-T427 WeakPolarHBondContact O-CB 3.26Å; V423-T427 PolarHBondContact O-N 3.4Å; V423-T427 PolarHBondContact O-OG1 2.85Å
424	T	92.3	Very high	90.7	Very high	2 Å²	2	36 Å²	36	1%	0.012	24%	0.241	C	C	.	.	H	α-helix	trans	-67.3	-46.9	177.9	-54.1	0	0	0	0	110.8	P250 F419 D421 A426 T427 L428	P250-T424 HydrophobicContact CB-CG2 4.45Å; F419-T424 HydrophobicContact CB-CG2 4.02Å; F419-T424 HydrophobicContact CD1-CG2 3.97Å; F419-T424 HydrophobicContact CG-CG2 4.36Å; D421-T424 PolarHBondContact O-N 3.28Å; D421-T424 PolarHBondContact OD2-N 3.46Å; T424-A426 PolarHBondContact O-N 3.23Å; T424-T427 PolarHBondContact O-N 3.35Å; T424-L428 HydrophobicContact CG2-CD1 4.04Å; T424-L428 HydrophobicContact CG2-CG 4.41Å; T424-L428 WeakPolarHBondContact O-CB 3.34Å; T424-L428 WeakPolarHBondContact O-CG 3.35Å; T424-L428 PolarHBondContact O-N 2.93Å
425	S	92.5	Very high	91.1	Very high	57 Å²	57	35.9 Å²	35.9	40%	0.399	24%	0.241	S	C	.	.	H	α-helix	trans	-60.8	-44.1	178	-64.5	0	0	0	0	112.3	D421 S429	D421-S425 PolarHBondContact O-N 3.5Å; D421-S425 PolarHBondContact O-OG 3.07Å; S425-S429 PolarHBondContact O-N 2.8Å
426	A	94.2	Very high	91.5	Very high	18 Å²	18	32.1 Å²	32.1	15%	0.149	22%	0.216	C	C	.	.	H	α-helix	trans	-67.7	-37.6	175.7	0	0	0	0	0	112.2	L383 P422 T424 S429 I430	L383-A426 HydrophobicContact CD1-CB 3.73Å; P422-A426 WeakPolarHBondContact O-CB 3.23Å; P422-A426 PolarHBondContact O-N 3.45Å; T424-A426 PolarHBondContact O-N 3.23Å; A426-S429 PolarHBondContact O-OG 2.85Å; A426-I430 WeakPolarHBondContact O-CD1 3.48Å; A426-I430 WeakPolarHBondContact O-CG1 3.42Å
427	T	94.5	Very high	92.1	Very high	2 Å²	2	28.5 Å²	28.5	1%	0.012	18%	0.179	C	C	.	.	H	α-helix	trans	-66.3	-44.1	176.9	-59.1	0	0	0	0	110.9	A248 Y387 V412 V423 T424 S429 I430 V431	A248-T427 HydrophobicContact CB-CG2 3.58Å; Y387-T427 HydrophobicContact CE2-CG2 3.94Å; V412-T427 HydrophobicContact CG2-CG2 4.02Å; V423-T427 VanDerWaalsContact O-CB 3.27Å; V423-T427 WeakPolarHBondContact O-CB 3.26Å; V423-T427 PolarHBondContact O-N 3.4Å; V423-T427 PolarHBondContact O-OG1 2.85Å; T424-T427 PolarHBondContact O-N 3.35Å; T427-S429 VanDerWaalsContact C-N 3.26Å; T427-S429 PolarHBondContact O-N 2.94Å; T427-I430 PolarHBondContact O-N 3.23Å; T427-V431 HydrophobicContact CG2-CG1 3.78Å; T427-V431 HydrophobicContact CG2-CG2 4.3Å; T427-V431 WeakPolarHBondContact O-CG2 3.28Å; T427-V431 PolarHBondContact O-N 2.88Å
428	L	93	Very high	92.6	Very high	43 Å²	43	29.2 Å²	29.2	23%	0.225	18%	0.176	C	C	.	.	H	α-helix	trans	-56.9	-34.4	178.5	-86.2	170.3	0	0	0	113.9	T424 I430 F434 Y456	T424-L428 HydrophobicContact CG2-CD1 4.04Å; T424-L428 HydrophobicContact CG2-CG 4.41Å; T424-L428 WeakPolarHBondContact O-CB 3.34Å; T424-L428 WeakPolarHBondContact O-CG 3.35Å; T424-L428 PolarHBondContact O-N 2.93Å; L428-I430 VanDerWaalsContact C-N 3.28Å; L428-I430 PolarHBondContact O-N 3.02Å; L428-F434 HydrophobicContact CD1-CE2 4.24Å; L428-F434 HydrophobicContact CD2-CB 4.34Å; L428-F434 HydrophobicContact CD2-CD1 4.38Å; L428-F434 HydrophobicContact CD2-CD2 3.19Å; L428-F434 HydrophobicContact CD2-CE2 3.27Å; L428-F434 HydrophobicContact CD2-CG 3.75Å; L428-F434 HydrophobicContact CD2-CZ 4.03Å; L428-F434 HydrophobicContact CG-CD2 4.09Å; L428-F434 HydrophobicContact CG-CE2 3.83Å; L428-Y456 HydrophobicContact CD2-CE1 4.01Å; L428-Y456 VanDerWaalsContact CD2-OH 3.23Å; L428-Y456 WeakPolarHBondContact CD2-OH 3.4Å; L428-Y456 PolarHBondContact O-OH 2.94Å
429	S	92.5	Very high	92.9	Very high	92 Å²	92	30.3 Å²	30.3	64%	0.643	18%	0.176	S	C	*	.	H	α-helix	trans	-75.2	-19	179.2	66.8	0	0	0	0	113.3	S425 A426 T427	S425-S429 PolarHBondContact O-N 2.8Å; A426-S429 PolarHBondContact O-OG 2.85Å; T427-S429 VanDerWaalsContact C-N 3.26Å; T427-S429 PolarHBondContact O-N 2.94Å
430	I	95	Very high	93.2	Very high	18 Å²	18	34 Å²	34	9%	0.092	19%	0.193	C	C	.	.	H	α-helix	trans	-101.3	-47.6	-175.9	-57.3	158.8	0	0	0	111.2	L383 A384 Y387 A426 T427 L428	L383-I430 HydrophobicContact CB-CD1 3.62Å; A384-I430 HydrophobicContact CB-CD1 3.92Å; A384-I430 HydrophobicContact CB-CG1 4.22Å; Y387-I430 HydrophobicContact CD2-CG2 4.18Å; Y387-I430 HydrophobicContact CG-CG2 4.16Å; A426-I430 WeakPolarHBondContact O-CD1 3.48Å; A426-I430 WeakPolarHBondContact O-CG1 3.42Å; T427-I430 PolarHBondContact O-N 3.23Å; L428-I430 VanDerWaalsContact C-N 3.28Å; L428-I430 PolarHBondContact O-N 3.02Å
431	V	96.2	Very high	93.4	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.168	C	C	.	.			trans	-70.4	149.7	-174.1	-61.7	0	0	0	0	112.4	A248 Y387 T427	A248-V431 HydrophobicContact CB-CB 4.4Å; A248-V431 HydrophobicContact CB-CG1 4.11Å; A248-V431 HydrophobicContact CB-CG2 3.76Å; Y387-V431 HydrophobicContact CD1-CG1 3.92Å; Y387-V431 HydrophobicContact CD2-CG1 4.43Å; Y387-V431 HydrophobicContact CE1-CG1 3.7Å; Y387-V431 HydrophobicContact CE2-CG1 4.25Å; Y387-V431 HydrophobicContact CG-CG1 4.29Å; T427-V431 HydrophobicContact CG2-CG1 3.78Å; T427-V431 HydrophobicContact CG2-CG2 4.3Å; T427-V431 WeakPolarHBondContact O-CG2 3.28Å; T427-V431 PolarHBondContact O-N 2.88Å
432	Q	96.3	Very high	93.4	Very high	63 Å²	63	31.5 Å²	31.5	29%	0.294	17%	0.171	S	C	.	.	S	Bend	trans	-95.1	-21.7	178.4	-61.6	-59.1	-46.2	0	0	112.7	T246 K458 Y459	T246-Q432 PolarHBondContact O-N 3.17Å; T246-Q432 PolarHBondContact OG1-N 2.86Å; Q432-K458 HydrophobicContact CB-CB 4.36Å; Q432-K458 WeakPolarHBondContact O-CB 3.29Å; Q432-K458 PolarHBondContact O-N 2.85Å; Q432-Y459 HydrophobicContact CB-CD2 4.13Å; Q432-Y459 HydrophobicContact CB-CE1 4.04Å; Q432-Y459 HydrophobicContact CB-CE2 3.39Å; Q432-Y459 VanDerWaalsContact CB-OH 3.31Å; Q432-Y459 WeakPolarHBondContact CB-OH 3.43Å; Q432-Y459 HydrophobicContact CG-CE1 4.17Å; Q432-Y459 HydrophobicContact CG-CE2 4.26Å; Q432-Y459 VanDerWaalsContact CG-OH 3.25Å; Q432-Y459 WeakPolarHBondContact CG-OH 3.48Å
433	V	96.7	Very high	93.4	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	135.5	176.4	-174.7	0	0	0	0	110.2	C241 T246 T247 A248 W435 Y459	C241-V433 HydrophobicContact CB-CG2 4.32Å; T246-V433 PolarHBondContact O-N 3.32Å; T247-V433 WeakPolarHBondContact CA-O 3.47Å; T247-V433 HydrophobicContact CG2-CB 4.07Å; T247-V433 HydrophobicContact CG2-CG1 3.95Å; A248-V433 PolarHBondContact N-O 3Å; V433-W435 HydrophobicContact CG1-CD2 4.48Å; V433-W435 HydrophobicContact CG1-CG 4.42Å; V433-W435 HydrophobicContact CG1-CZ2 4.26Å; V433-Y459 HydrophobicContact CG2-CD2 3.37Å; V433-Y459 HydrophobicContact CG2-CE2 3.61Å
434	F	95.6	Very high	93.3	Very high	8 Å²	8	46.4 Å²	46.4	4%	0.035	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	114.1	180	178.5	-101.8	0	0	0	109.9	P250 F419 L428 I454 S455 Y456	P250-F434 HydrophobicContact CB-CE2 4.37Å; P250-F434 HydrophobicContact CG-CD2 4.01Å; P250-F434 HydrophobicContact CG-CE1 4.44Å; P250-F434 HydrophobicContact CG-CE2 3.26Å; P250-F434 HydrophobicContact CG-CZ 3.48Å; P250-F434 VanDerWaalsContact CG-CZ 3.48Å; F419-F434 HydrophobicContact CZ-CZ 4.5Å; L428-F434 HydrophobicContact CD1-CE2 4.24Å; L428-F434 HydrophobicContact CD2-CB 4.34Å; L428-F434 HydrophobicContact CD2-CD1 4.38Å; L428-F434 HydrophobicContact CD2-CD2 3.19Å; L428-F434 HydrophobicContact CD2-CE2 3.27Å; L428-F434 HydrophobicContact CD2-CG 3.75Å; L428-F434 HydrophobicContact CD2-CZ 4.03Å; L428-F434 HydrophobicContact CG-CD2 4.09Å; L428-F434 HydrophobicContact CG-CE2 3.83Å; F434-I454 HydrophobicContact CE1-CD1 4.32Å; F434-I454 HydrophobicContact CE1-CG1 4.29Å; F434-S455 VanDerWaalsContact O-CA 3.3Å; F434-S455 WeakPolarHBondContact O-CA 3.36Å; F434-S455 VanDerWaalsContact O-CB 3.26Å; F434-S455 WeakPolarHBondContact O-CB 3.43Å; F434-Y456 HydrophobicContact CB-CD1 3.82Å; F434-Y456 HydrophobicContact CB-CD2 4.34Å; F434-Y456 HydrophobicContact CB-CE1 3.45Å; F434-Y456 VanDerWaalsContact CB-CE1 3.45Å; F434-Y456 HydrophobicContact CB-CE2 4Å; F434-Y456 HydrophobicContact CB-CG 4.25Å; F434-Y456 HydrophobicContact CD1-CD1 4.05Å; F434-Y456 AromaticContact CD1-CE1 3.87Å; F434-Y456 HydrophobicContact CD1-CE1 3.87Å; F434-Y456 HydrophobicContact CG-CD1 4.27Å; F434-Y456 AromaticContact CG-CE1 3.78Å; F434-Y456 HydrophobicContact CG-CE1 3.78Å; F434-Y456 PolarHBondContact N-O 2.98Å; F434-Y456 PolarHBondContact O-N 3.09Å; F434-Y456 VanDerWaalsContact O-N 3.09Å
435	W	95.7	Very high	93.3	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	27%	0.265	C	S	.	.			trans	-105.9	81.7	175.8	-62.3	-24.7	0	0	0	109.6	T230 L235 F239 C241 T247 A248 I249 P250 I260 V409 V433 L437	T230-W435 HydrophobicContact CG2-CH2 3.75Å; T230-W435 HydrophobicContact CG2-CZ2 4.32Å; L235-W435 HydrophobicContact CB-CZ2 4.12Å; L235-W435 HydrophobicContact CD1-CD2 4.3Å; L235-W435 HydrophobicContact CD1-CE3 3.92Å; L235-W435 HydrophobicContact CD1-CH2 4.1Å; L235-W435 HydrophobicContact CD1-CZ2 4.39Å; L235-W435 HydrophobicContact CD1-CZ3 3.83Å; L235-W435 HydrophobicContact CD2-CB 4.36Å; L235-W435 HydrophobicContact CD2-CD2 3.55Å; L235-W435 HydrophobicContact CD2-CE3 3.97Å; L235-W435 HydrophobicContact CD2-CG 3.7Å; L235-W435 HydrophobicContact CD2-CZ2 4.35Å; L235-W435 HydrophobicContact CG-CD2 4.42Å; F239-W435 PolarHBondContact O-NE1 3.03Å; C241-W435 HydrophobicContact CB-CH2 4.39Å; C241-W435 HydrophobicContact CB-CZ2 4.01Å; T247-W435 HydrophobicContact CG2-CD2 3.52Å; T247-W435 HydrophobicContact CG2-CE3 3.53Å; T247-W435 HydrophobicContact CG2-CG 4.17Å; T247-W435 HydrophobicContact CG2-CH2 3.88Å; T247-W435 HydrophobicContact CG2-CZ2 3.93Å; T247-W435 HydrophobicContact CG2-CZ3 3.69Å; A248-W435 PolarHBondContact O-N 3.22Å; I249-W435 HydrophobicContact CD1-CE3 3.73Å; I249-W435 HydrophobicContact CD1-CZ3 4.05Å; I249-W435 HydrophobicContact CG1-CE3 3.73Å; I249-W435 HydrophobicContact CG1-CZ3 4.4Å; P250-W435 WeakPolarHBondContact CD-O 3.37Å; I260-W435 HydrophobicContact CG2-CE3 4.44Å; I260-W435 HydrophobicContact CG2-CZ3 4.36Å; V409-W435 HydrophobicContact CG1-CZ3 4.48Å; V433-W435 HydrophobicContact CG1-CD2 4.48Å; V433-W435 HydrophobicContact CG1-CG 4.42Å; V433-W435 HydrophobicContact CG1-CZ2 4.26Å; W435-L437 PolarHBondContact O-N 3.23Å
436	G	93.6	Very high	93.3	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	25%	0.249	C	C	.	.			trans	-70.3	110.7	-177.9	0	0	0	0	0	111.5	N451 S455	G436-N451 WeakPolarHBondContact O-CB 3.47Å; G436-N451 PolarHBondContact O-N 3.42Å; G436-S455 PolarHBondContact N-OG 3.22Å
437	L	93	Very high	93.1	Very high	4 Å²	4	55.6 Å²	55.6	2%	0.021	26%	0.26	C	S	.	.	B	Isolated β-bridge	trans	-83.3	130	176	-55.8	-173.8	0	0	0	111.2	I249 P250 C255 K257 I260 W435 S449 V450	I249-L437 HydrophobicContact CG2-CD1 3.73Å; I249-L437 HydrophobicContact CG2-CD2 4.3Å; I249-L437 HydrophobicContact CG2-CG 3.81Å; P250-L437 WeakPolarHBondContact O-CB 3.48Å; P250-L437 PolarHBondContact O-N 2.87Å; C255-L437 HydrophobicContact CB-CB 3.9Å; C255-L437 HydrophobicContact CB-CD1 3.96Å; K257-L437 HydrophobicContact CB-CD1 4.39Å; K257-L437 HydrophobicContact CG-CD1 3.55Å; I260-L437 HydrophobicContact CD1-CD1 4.19Å; I260-L437 HydrophobicContact CD1-CD2 3.66Å; W435-L437 PolarHBondContact O-N 3.23Å; L437-S449 CarbonylContact C-O 3.49Å; L437-S449 WeakPolarHBondContact CA-O 3.4Å; L437-V450 HydrophobicContact CD2-CB 4.34Å; L437-V450 HydrophobicContact CD2-CG2 3.59Å
438	D	90.8	Very high	93	Very high	41 Å²	41	56 Å²	56	22%	0.219	26%	0.262	C	S	.	.			trans	-100.9	128.7	179.3	179.2	14.1	0	0	0	112	K440 L441 A442 S449 N451	D438-K440 VanDerWaalsContact C-N 3.31Å; D438-K440 PolarHBondContact O-N 2.94Å; D438-K440 PolarHBondContact OD1-N 2.97Å; D438-L441 HydrophobicContact CB-CB 4.44Å; D438-L441 HydrophobicContact CB-CD1 4.19Å; D438-L441 HydrophobicContact CB-CG 4.25Å; D438-L441 PolarHBondContact O-N 3.43Å; D438-A442 PolarHBondContact O-N 2.78Å; D438-S449 PolarHBondContact N-O 3.22Å; D438-N451 HydrophobicContact CB-CB 3.82Å
439	K	90.5	Very high	93.1	Very high	115 Å²	115	54 Å²	54	50%	0.5	25%	0.252	S	S	.	.	H	α-helix	trans	-63.5	-34.4	175.8	-170.8	175.9	-179.7	-179.8	0	112.1	A252 A442 Q443	A252-K439 HydrophobicContact CB-CD 4.36Å; K439-A442 PolarHBondContact O-N 3.47Å; K439-Q443 HydrophobicContact CG-CG 4.5Å; K439-Q443 WeakPolarHBondContact O-CB 3.39Å; K439-Q443 VanDerWaalsContact O-CG 3.28Å; K439-Q443 WeakPolarHBondContact O-CG 3.44Å; K439-Q443 PolarHBondContact O-N 2.85Å
440	K	91	Very high	93.2	Very high	142 Å²	142	49.7 Å²	49.7	62%	0.617	22%	0.221	S	C	*	.	H	α-helix	trans	-65.6	-41.4	179	-64.5	178.2	-179.5	174.4	0	111.3	D438 Q443 R444	D438-K440 VanDerWaalsContact C-N 3.31Å; D438-K440 PolarHBondContact O-N 2.94Å; D438-K440 PolarHBondContact OD1-N 2.97Å; K440-Q443 PolarHBondContact O-N 3.5Å; K440-R444 WeakPolarHBondContact O-CG 3.5Å; K440-R444 PolarHBondContact O-N 2.94Å
441	L	92	Very high	93.1	Very high	16 Å²	16	50.1 Å²	50.1	8%	0.084	22%	0.224	C	C	.	.	H	α-helix	trans	-62.7	-47.6	174.2	-70.2	177.3	0	0	0	111.3	D438 Q443 R444 K445 H446 V450 W452	D438-L441 HydrophobicContact CB-CB 4.44Å; D438-L441 HydrophobicContact CB-CD1 4.19Å; D438-L441 HydrophobicContact CB-CG 4.25Å; D438-L441 PolarHBondContact O-N 3.43Å; L441-Q443 VanDerWaalsContact C-N 3.33Å; L441-Q443 PolarHBondContact O-N 3.09Å; L441-R444 CarbonylContact O-C 3.34Å; L441-R444 PolarHBondContact O-N 2.93Å; L441-R444 VanDerWaalsContact O-N 3.08Å; L441-K445 PolarHBondContact O-N 2.88Å; L441-H446 HydrophobicContact CB-CB 4.27Å; L441-H446 HydrophobicContact CD2-CB 4.22Å; L441-H446 PolarHBondContact O-N 3.49Å; L441-V450 WeakPolarHBondContact CD1-O 3.45Å; L441-W452 HydrophobicContact CD1-CE3 4.3Å; L441-W452 HydrophobicContact CD1-CH2 4.22Å; L441-W452 HydrophobicContact CD1-CZ3 3.72Å; L441-W452 HydrophobicContact CD2-CH2 3.76Å; L441-W452 HydrophobicContact CD2-CZ3 3.99Å
442	A	90.8	Very high	93.1	Very high	15 Å²	15	51.8 Å²	51.8	12%	0.124	23%	0.23	C	C	.	.	H	α-helix	trans	-60.2	-40.3	177.5	0	0	0	0	0	112.7	D438 K439 R444 K445 F447	D438-A442 PolarHBondContact O-N 2.78Å; K439-A442 PolarHBondContact O-N 3.47Å; A442-R444 VanDerWaalsContact C-N 3.26Å; A442-R444 PolarHBondContact O-N 2.87Å; A442-K445 WeakPolarHBondContact O-CA 3.42Å; A442-K445 PolarHBondContact O-N 2.84Å; A442-F447 HydrophobicContact CB-CE1 4.29Å; A442-F447 HydrophobicContact CB-CZ 4.5Å
443	Q	91.5	Very high	92.9	Very high	137 Å²	137	52.6 Å²	52.6	64%	0.64	24%	0.236	S	C	*	.	H	α-helix	trans	-63.7	-30.8	176	-77.1	175.7	-17.5	0	0	113.1	K439 K440 L441 K445	K439-Q443 HydrophobicContact CG-CG 4.5Å; K439-Q443 WeakPolarHBondContact O-CB 3.39Å; K439-Q443 VanDerWaalsContact O-CG 3.28Å; K439-Q443 WeakPolarHBondContact O-CG 3.44Å; K439-Q443 PolarHBondContact O-N 2.85Å; K440-Q443 PolarHBondContact O-N 3.5Å; L441-Q443 VanDerWaalsContact C-N 3.33Å; L441-Q443 PolarHBondContact O-N 3.09Å; Q443-K445 PolarHBondContact O-N 2.7Å
444	R	91.9	Very high	92.7	Very high	202 Å²	202	55.7 Å²	55.7	76%	0.762	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	4	173.5	-67.2	176.3	-178.3	177.6	0.7	113.1	K440 L441 A442 H446	K440-R444 WeakPolarHBondContact O-CG 3.5Å; K440-R444 PolarHBondContact O-N 2.94Å; L441-R444 CarbonylContact O-C 3.34Å; L441-R444 PolarHBondContact O-N 2.93Å; L441-R444 VanDerWaalsContact O-N 3.08Å; A442-R444 VanDerWaalsContact C-N 3.26Å; A442-R444 PolarHBondContact O-N 2.87Å; R444-H446 PolarHBondContact O-N 2.79Å
445	K	91.2	Very high	92.7	Very high	173 Å²	173	55.7 Å²	55.7	75%	0.752	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	58	28.8	-173.7	-55.2	-178	177.7	-178.5	0	113.3	L441 A442 Q443 F447	L441-K445 PolarHBondContact O-N 2.88Å; A442-K445 WeakPolarHBondContact O-CA 3.42Å; A442-K445 PolarHBondContact O-N 2.84Å; Q443-K445 PolarHBondContact O-N 2.7Å; K445-F447 HydrophobicContact CB-CE2 4.3Å
446	H	92.5	Very high	92.7	Very high	11 Å²	11	59 Å²	59	5%	0.051	27%	0.266	C	S	.	.			trans	-83.9	112.5	169.4	-173.3	-53.7	0	0	0	108.1	L441 R444 K518 Q523	L441-H446 HydrophobicContact CB-CB 4.27Å; L441-H446 HydrophobicContact CD2-CB 4.22Å; L441-H446 PolarHBondContact O-N 3.49Å; R444-H446 PolarHBondContact O-N 2.79Å; H446-K518 PolarHBondContact NE2-O 3.15Å; H446-Q523 VanDerWaalsContact CD2-CG 3.46Å; H446-Q523 WeakPolarHBondContact CD2-CG 3.41Å; H446-Q523 PolarHBondContact CD2-NE2 3.22Å; H446-Q523 VanDerWaalsContact NE2-CG 3.33Å; H446-Q523 WeakPolarHBondContact NE2-CG 3.41Å
447	F	91.2	Very high	92.8	Very high	86 Å²	86	59.6 Å²	59.6	38%	0.377	27%	0.27	S	S	.	.	S	Bend	trans	-128	142.9	-178.9	-69.1	-71.4	0	0	0	110.9	A442 K445 Q523 Q524	A442-F447 HydrophobicContact CB-CE1 4.29Å; A442-F447 HydrophobicContact CB-CZ 4.5Å; K445-F447 HydrophobicContact CB-CE2 4.3Å; F447-Q523 CarbonylContact O-C 3.55Å; F447-Q523 WeakPolarHBondContact O-CA 3.4Å; F447-Q524 PolarHBondContact O-N 2.9Å
448	P	93.1	Very high	92.9	Very high	11 Å²	11	64.7 Å²	64.7	7%	0.071	29%	0.292	C	S	.	.	S	Bend	cis	-65.1	142	-9.1	29.7	-37	0	0	0	111.9	I234 I260 V450	I234-P448 HydrophobicContact CG2-CG 3.54Å; I260-P448 HydrophobicContact CD1-CB 4.36Å; I260-P448 HydrophobicContact CG1-CB 4.48Å; P448-V450 HydrophobicContact CB-CG2 4.24Å; P448-V450 PolarHBondContact O-N 3.48Å
449	S	93.4	Very high	93.1	Very high	1 Å²	1	64.3 Å²	64.3	1%	0.007	29%	0.288	C	S	.	.			trans	-80	35.6	-170.5	64.9	0	0	0	0	113.7	C255 L437 D438 N451	C255-S449 PolarHBondContact O-OG 2.95Å; L437-S449 CarbonylContact C-O 3.49Å; L437-S449 WeakPolarHBondContact CA-O 3.4Å; D438-S449 PolarHBondContact N-O 3.22Å; S449-N451 PolarHBondContact O-N 3.25Å
450	V	94.8	Very high	93.2	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	-76.6	123.5	-176.5	178.7	0	0	0	0	109.2	I234 L235 F239 I260 L437 L441 P448 W452 S455	I234-V450 HydrophobicContact CD1-CB 3.72Å; I234-V450 HydrophobicContact CD1-CG1 3.9Å; I234-V450 HydrophobicContact CG1-CB 4.32Å; I234-V450 HydrophobicContact CG1-CG1 4.26Å; I234-V450 HydrophobicContact CG2-CB 4.43Å; I234-V450 HydrophobicContact CG2-CG2 4.32Å; L235-V450 HydrophobicContact CD2-CG1 4.5Å; L235-V450 HydrophobicContact CD2-CG2 3.79Å; F239-V450 HydrophobicContact CD2-CG1 4.2Å; F239-V450 HydrophobicContact CE2-CG1 4.24Å; I260-V450 HydrophobicContact CD1-CG2 4.36Å; L437-V450 HydrophobicContact CD2-CB 4.34Å; L437-V450 HydrophobicContact CD2-CG2 3.59Å; L441-V450 WeakPolarHBondContact CD1-O 3.45Å; P448-V450 HydrophobicContact CB-CG2 4.24Å; P448-V450 PolarHBondContact O-N 3.48Å; V450-W452 PolarHBondContact O-N 3.31Å; V450-S455 WeakPolarHBondContact CG1-OG 3.39Å
451	N	94.1	Very high	93.3	Very high	28 Å²	28	64.6 Å²	64.6	15%	0.15	29%	0.285	C	S	.	.			trans	-79.6	112.7	174.4	178.4	-30.9	0	0	0	109.5	G436 D438 S449 L453 I454 S455	G436-N451 WeakPolarHBondContact O-CB 3.47Å; G436-N451 PolarHBondContact O-N 3.42Å; D438-N451 HydrophobicContact CB-CB 3.82Å; S449-N451 PolarHBondContact O-N 3.25Å; N451-L453 VanDerWaalsContact C-N 3.27Å; N451-L453 PolarHBondContact O-N 3.28Å; N451-L453 WeakPolarHBondContact OD1-CB 3.19Å; N451-L453 PolarHBondContact OD1-N 2.94Å; N451-I454 HydrophobicContact CB-CD1 3.84Å; N451-I454 HydrophobicContact CB-CG1 3.7Å; N451-I454 PolarHBondContact OD1-N 3.06Å; N451-S455 WeakPolarHBondContact O-CB 3.41Å; N451-S455 PolarHBondContact O-N 2.87Å; N451-S455 VanDerWaalsContact O-N 3.15Å; N451-S455 PolarHBondContact O-OG 3.47Å
452	W	94.6	Very high	93.3	Very high	35 Å²	35	66.8 Å²	66.8	13%	0.133	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-8.2	-176	51.4	81	0	0	0	114.6	I234 L238 F239 L441 V450 L485 K518 L522	I234-W452 HydrophobicContact CD1-CB 4.41Å; I234-W452 HydrophobicContact CD1-CE3 4.29Å; L238-W452 HydrophobicContact CD1-CB 4.21Å; F239-W452 HydrophobicContact CE2-CB 4.23Å; F239-W452 HydrophobicContact CZ-CB 4.19Å; F239-W452 WeakPolarHBondContact CZ-O 3.44Å; L441-W452 HydrophobicContact CD1-CE3 4.3Å; L441-W452 HydrophobicContact CD1-CH2 4.22Å; L441-W452 HydrophobicContact CD1-CZ3 3.72Å; L441-W452 HydrophobicContact CD2-CH2 3.76Å; L441-W452 HydrophobicContact CD2-CZ3 3.99Å; V450-W452 PolarHBondContact O-N 3.31Å; W452-L485 HydrophobicContact CB-CD1 4.41Å; W452-L485 HydrophobicContact CG-CD1 4.18Å; W452-K518 HydrophobicContact CH2-CD 3.64Å; W452-K518 HydrophobicContact CH2-CG 3.88Å; W452-K518 HydrophobicContact CZ2-CD 3.4Å; W452-K518 HydrophobicContact CZ2-CG 3.88Å; W452-L522 HydrophobicContact CD2-CD1 3.88Å; W452-L522 HydrophobicContact CE3-CD1 3.6Å; W452-L522 HydrophobicContact CG-CD1 4.38Å; W452-L522 HydrophobicContact CZ3-CD1 4Å
453	L	93.3	Very high	93.4	Very high	79 Å²	79	66 Å²	66	41%	0.414	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-38.1	177.3	-60.7	173.5	0	0	0	112	N451 E489	N451-L453 VanDerWaalsContact C-N 3.27Å; N451-L453 PolarHBondContact O-N 3.28Å; N451-L453 WeakPolarHBondContact OD1-CB 3.19Å; N451-L453 PolarHBondContact OD1-N 2.94Å; L453-E489 HydrophobicContact CD1-CB 4.08Å; L453-E489 HydrophobicContact CD1-CG 3.72Å
454	I	92.7	Very high	93.4	Very high	65 Å²	65	61.4 Å²	61.4	33%	0.333	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-23.8	-178.5	68.8	176.6	0	0	0	113.3	F419 F434 N451	F419-I454 HydrophobicContact CD2-CD1 4.47Å; F419-I454 HydrophobicContact CE2-CD1 3.45Å; F419-I454 VanDerWaalsContact CE2-CD1 3.45Å; F419-I454 HydrophobicContact CZ-CD1 3.95Å; F434-I454 HydrophobicContact CE1-CD1 4.32Å; F434-I454 HydrophobicContact CE1-CG1 4.29Å; N451-I454 HydrophobicContact CB-CD1 3.84Å; N451-I454 HydrophobicContact CB-CG1 3.7Å; N451-I454 PolarHBondContact OD1-N 3.06Å
455	S	95	Very high	93.4	Very high	8 Å²	8	57 Å²	57	6%	0.056	26%	0.263	C	S	.	.			trans	-71.8	148	-178	-63.8	0	0	0	0	110.2	F239 F434 G436 V450 N451	F239-S455 VanDerWaalsContact CE1-C 3.41Å; F239-S455 WeakPolarHBondContact CE1-O 3.47Å; F434-S455 VanDerWaalsContact O-CA 3.3Å; F434-S455 WeakPolarHBondContact O-CA 3.36Å; F434-S455 VanDerWaalsContact O-CB 3.26Å; F434-S455 WeakPolarHBondContact O-CB 3.43Å; G436-S455 PolarHBondContact N-OG 3.22Å; V450-S455 WeakPolarHBondContact CG1-OG 3.39Å; N451-S455 WeakPolarHBondContact O-CB 3.41Å; N451-S455 PolarHBondContact O-N 2.87Å; N451-S455 VanDerWaalsContact O-N 3.15Å; N451-S455 PolarHBondContact O-OG 3.47Å
456	Y	95.8	Very high	93.5	Very high	71 Å²	71	51.6 Å²	51.6	28%	0.278	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	158.1	179.4	64.6	-96	0	0	0	111.6	L428 F434 K458	L428-Y456 HydrophobicContact CD2-CE1 4.01Å; L428-Y456 VanDerWaalsContact CD2-OH 3.23Å; L428-Y456 WeakPolarHBondContact CD2-OH 3.4Å; L428-Y456 PolarHBondContact O-OH 2.94Å; F434-Y456 HydrophobicContact CB-CD1 3.82Å; F434-Y456 HydrophobicContact CB-CD2 4.34Å; F434-Y456 HydrophobicContact CB-CE1 3.45Å; F434-Y456 VanDerWaalsContact CB-CE1 3.45Å; F434-Y456 HydrophobicContact CB-CE2 4Å; F434-Y456 HydrophobicContact CB-CG 4.25Å; F434-Y456 HydrophobicContact CD1-CD1 4.05Å; F434-Y456 AromaticContact CD1-CE1 3.87Å; F434-Y456 HydrophobicContact CD1-CE1 3.87Å; F434-Y456 HydrophobicContact CG-CD1 4.27Å; F434-Y456 AromaticContact CG-CE1 3.78Å; F434-Y456 HydrophobicContact CG-CE1 3.78Å; F434-Y456 PolarHBondContact N-O 2.98Å; F434-Y456 PolarHBondContact O-N 3.09Å; F434-Y456 VanDerWaalsContact O-N 3.09Å; Y456-K458 HydrophobicContact CD2-CG 4.36Å; Y456-K458 HydrophobicContact CE2-CG 4.42Å
457	S	96.3	Very high	93.6	Very high	12 Å²	12	51.1 Å²	51.1	8%	0.084	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	129.4	168.6	175.4	0	0	0	0	109.2	P240 Y459 L460	P240-S457 WeakPolarHBondContact O-CB 3.5Å; P240-S457 PolarHBondContact O-OG 3.32Å; S457-Y459 VanDerWaalsContact C-N 3.31Å; S457-Y459 PolarHBondContact OG-N 3.49Å; S457-L460 WeakPolarHBondContact O-CG 3.2Å
458	K	94.8	Very high	93.6	Very high	110 Å²	110	51.3 Å²	51.3	48%	0.478	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-6.7	173.3	-67.1	175	-178.7	164.4	0	112.6	Q432 Y456 L460	Q432-K458 HydrophobicContact CB-CB 4.36Å; Q432-K458 WeakPolarHBondContact O-CB 3.29Å; Q432-K458 PolarHBondContact O-N 2.85Å; Y456-K458 HydrophobicContact CD2-CG 4.36Å; Y456-K458 HydrophobicContact CE2-CG 4.42Å; K458-L460 VanDerWaalsContact C-N 3.34Å; K458-L460 PolarHBondContact O-N 2.91Å
459	Y	94.7	Very high	93.7	Very high	34 Å²	34	60.4 Å²	60.4	13%	0.133	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-1.8	-178	-66.2	-59.3	0	0	0	114.7	V242 G245 T246 Q432 V433 S457 R461 V462 L463	V242-Y459 HydrophobicContact CG1-CD1 4.07Å; V242-Y459 HydrophobicContact CG1-CD2 4.15Å; V242-Y459 HydrophobicContact CG1-CG 3.74Å; V242-Y459 HydrophobicContact CG2-CD1 3.88Å; V242-Y459 HydrophobicContact CG2-CD2 3.97Å; V242-Y459 HydrophobicContact CG2-CE1 3.77Å; V242-Y459 HydrophobicContact CG2-CE2 3.85Å; V242-Y459 HydrophobicContact CG2-CG 3.99Å; G245-Y459 WeakPolarHBondContact CA-OH 3.46Å; T246-Y459 PolarHBondContact N-OH 3.33Å; Q432-Y459 HydrophobicContact CB-CD2 4.13Å; Q432-Y459 HydrophobicContact CB-CE1 4.04Å; Q432-Y459 HydrophobicContact CB-CE2 3.39Å; Q432-Y459 VanDerWaalsContact CB-OH 3.31Å; Q432-Y459 WeakPolarHBondContact CB-OH 3.43Å; Q432-Y459 HydrophobicContact CG-CE1 4.17Å; Q432-Y459 HydrophobicContact CG-CE2 4.26Å; Q432-Y459 VanDerWaalsContact CG-OH 3.25Å; Q432-Y459 WeakPolarHBondContact CG-OH 3.48Å; V433-Y459 HydrophobicContact CG2-CD2 3.37Å; V433-Y459 HydrophobicContact CG2-CE2 3.61Å; S457-Y459 VanDerWaalsContact C-N 3.31Å; S457-Y459 PolarHBondContact OG-N 3.49Å; Y459-R461 PolarHBondContact O-N 3.48Å; Y459-V462 PolarHBondContact O-N 2.9Å; Y459-V462 VanDerWaalsContact O-N 3.09Å; Y459-L463 PolarHBondContact O-N 3.02Å; Y459-L463 VanDerWaalsContact O-N 3.1Å
460	L	93.1	Very high	93.6	Very high	40 Å²	40	64.3 Å²	64.3	21%	0.209	30%	0.296	C	S	.	.	H	α-helix	trans	-51.9	-52.6	-175.6	-57.8	176.2	0	0	0	111.8	P240 S457 K458 V462 L463 D464	P240-L460 HydrophobicContact CG-CD2 3.71Å; S457-L460 WeakPolarHBondContact O-CG 3.2Å; K458-L460 VanDerWaalsContact C-N 3.34Å; K458-L460 PolarHBondContact O-N 2.91Å; L460-V462 VanDerWaalsContact C-N 3.29Å; L460-V462 PolarHBondContact O-N 3.44Å; L460-L463 PolarHBondContact O-N 3.45Å; L460-L463 VanDerWaalsContact O-N 3.12Å; L460-D464 VanDerWaalsContact O-CG 3.3Å; L460-D464 PolarHBondContact O-N 3.39Å; L460-D464 VanDerWaalsContact O-N 3.12Å; L460-D464 VanDerWaalsContact O-OD1 3.07Å
461	R	92.1	Very high	93.6	Very high	222 Å²	222	66.6 Å²	66.6	84%	0.838	31%	0.306	S	S	*	.	H	α-helix	trans	-61.3	-32.9	-179.5	-69.1	-175.4	176.9	177.3	-0.9	114.3	Y459 L463 D464	Y459-R461 PolarHBondContact O-N 3.48Å; R461-L463 VanDerWaalsContact C-N 3.33Å; R461-D464 WeakPolarHBondContact CA-OD2 3.23Å
462	V	92.1	Very high	93.5	Very high	62 Å²	62	69.6 Å²	69.6	38%	0.376	33%	0.327	S	S	.	.	H	α-helix	trans	-77.1	-27.8	-178.8	-177.2	0	0	0	0	110.8	G224 Y459 L460	G224-V462 VanDerWaalsContact O-CG1 3.25Å; G224-V462 WeakPolarHBondContact O-CG1 3.39Å; Y459-V462 PolarHBondContact O-N 2.9Å; Y459-V462 VanDerWaalsContact O-N 3.09Å; L460-V462 VanDerWaalsContact C-N 3.29Å; L460-V462 PolarHBondContact O-N 3.44Å
463	L	93.4	Very high	93.3	Very high	0 Å²	0	72.4 Å²	72.4	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-87.9	-14.9	179.3	-74.9	174.8	0	0	0	113.9	P227 P240 V242 Y459 L460 R461 D465 Y466 F467	P227-L463 HydrophobicContact CB-CD1 4.46Å; P227-L463 HydrophobicContact CB-CD2 4.02Å; P227-L463 HydrophobicContact CG-CD2 4.43Å; P240-L463 HydrophobicContact CB-CD1 3.74Å; P240-L463 HydrophobicContact CG-CD1 3.88Å; V242-L463 HydrophobicContact CG1-CD1 3.83Å; V242-L463 HydrophobicContact CG1-CD2 3.82Å; V242-L463 HydrophobicContact CG1-CG 3.76Å; Y459-L463 PolarHBondContact O-N 3.02Å; Y459-L463 VanDerWaalsContact O-N 3.1Å; L460-L463 PolarHBondContact O-N 3.45Å; L460-L463 VanDerWaalsContact O-N 3.12Å; R461-L463 VanDerWaalsContact C-N 3.33Å; L463-D465 VanDerWaalsContact C-N 3.28Å; L463-D465 PolarHBondContact O-N 2.94Å; L463-Y466 WeakPolarHBondContact O-CB 3.1Å; L463-Y466 PolarHBondContact O-N 2.86Å; L463-F467 HydrophobicContact CB-CD2 3.79Å; L463-F467 HydrophobicContact CB-CE2 3.5Å; L463-F467 HydrophobicContact CB-CZ 4.42Å; L463-F467 HydrophobicContact CD1-CE2 3.96Å; L463-F467 HydrophobicContact CD1-CZ 4.33Å; L463-F467 HydrophobicContact CG-CE2 4.26Å; L463-F467 WeakPolarHBondContact O-CD2 3.31Å; L463-F467 PolarHBondContact O-N 2.87Å
464	D	91.5	Very high	93.4	Very high	40 Å²	40	68.6 Å²	68.6	21%	0.214	32%	0.321	C	S	.	.	H	α-helix	trans	-54.9	-44.4	179.3	-68.1	-22	0	0	0	110.8	L460 R461 Y466 F467 D468 R478	L460-D464 VanDerWaalsContact O-CG 3.3Å; L460-D464 PolarHBondContact O-N 3.39Å; L460-D464 VanDerWaalsContact O-N 3.12Å; L460-D464 VanDerWaalsContact O-OD1 3.07Å; R461-D464 WeakPolarHBondContact CA-OD2 3.23Å; D464-Y466 VanDerWaalsContact C-N 3.27Å; D464-Y466 PolarHBondContact O-N 3.25Å; D464-F467 PolarHBondContact O-N 3.23Å; D464-F467 VanDerWaalsContact O-N 3.1Å; D464-D468 WeakPolarHBondContact O-CB 3.44Å; D464-D468 VanDerWaalsContact O-CG 3.29Å; D464-D468 PolarHBondContact O-N 3.08Å; D464-R478 IonicContact OD1-NH2 3.64Å; D464-R478 PolarHBondContact OD1-NH2 2.89Å
465	D	91.9	Very high	93.5	Very high	108 Å²	108	67 Å²	67	58%	0.578	31%	0.314	S	S	*	.	H	α-helix	trans	-55.7	-37.3	174.4	-84	7	0	0	0	113.8	L463 R469	L463-D465 VanDerWaalsContact C-N 3.28Å; L463-D465 PolarHBondContact O-N 2.94Å; D465-R469 WeakPolarHBondContact O-CD 3.37Å; D465-R469 VanDerWaalsContact O-CG 3.29Å; D465-R469 WeakPolarHBondContact O-CG 3.42Å
466	Y	93.4	Very high	93.5	Very high	60 Å²	60	69.9 Å²	69.9	24%	0.235	34%	0.339	C	S	.	.	H	α-helix	trans	-74.1	-42.7	178.1	175	-85.7	0	0	0	110.8	P227 L463 D464 N470	P227-Y466 HydrophobicContact CG-CD1 3.83Å; P227-Y466 HydrophobicContact CG-CE1 3.46Å; P227-Y466 VanDerWaalsContact CG-CE1 3.46Å; P227-Y466 HydrophobicContact CG-CE2 4.39Å; P227-Y466 HydrophobicContact CG-CG 4.46Å; L463-Y466 WeakPolarHBondContact O-CB 3.1Å; L463-Y466 PolarHBondContact O-N 2.86Å; D464-Y466 VanDerWaalsContact C-N 3.27Å; D464-Y466 PolarHBondContact O-N 3.25Å; Y466-N470 WeakPolarHBondContact CE2-ND2 3.37Å; Y466-N470 PolarHBondContact O-N 3.46Å; Y466-N470 PolarHBondContact O-ND2 2.75Å
467	F	93.8	Very high	93.5	Very high	1 Å²	1	67.4 Å²	67.4	0%	0.004	33%	0.33	C	S	.	.	H	α-helix	trans	-72	-39.2	-179.1	-67.8	-52.4	0	0	0	111.9	L463 D464 R469 N470 F471 F474 V475 F536	L463-F467 HydrophobicContact CB-CD2 3.79Å; L463-F467 HydrophobicContact CB-CE2 3.5Å; L463-F467 HydrophobicContact CB-CZ 4.42Å; L463-F467 HydrophobicContact CD1-CE2 3.96Å; L463-F467 HydrophobicContact CD1-CZ 4.33Å; L463-F467 HydrophobicContact CG-CE2 4.26Å; L463-F467 WeakPolarHBondContact O-CD2 3.31Å; L463-F467 PolarHBondContact O-N 2.87Å; D464-F467 PolarHBondContact O-N 3.23Å; D464-F467 VanDerWaalsContact O-N 3.1Å; F467-R469 PolarHBondContact O-N 3.01Å; F467-N470 PolarHBondContact O-N 2.86Å; F467-F471 HydrophobicContact CD1-CD2 4.46Å; F467-F471 CarbonylContact O-C 3.58Å; F467-F471 VanDerWaalsContact O-CA 3.25Å; F467-F471 WeakPolarHBondContact O-CA 3.49Å; F467-F471 PolarHBondContact O-N 3.49Å; F467-F471 VanDerWaalsContact O-O 3.1Å; F467-F474 HydrophobicContact CB-CD1 4.05Å; F467-F474 AromaticContact CD1-CD1 3.74Å; F467-F474 HydrophobicContact CD1-CD1 3.74Å; F467-F474 HydrophobicContact CD1-CE1 4.04Å; F467-F474 AromaticContact CD2-CD1 3.81Å; F467-F474 HydrophobicContact CD2-CD1 3.81Å; F467-F474 AromaticContact CD2-CE1 3.74Å; F467-F474 HydrophobicContact CD2-CE1 3.74Å; F467-F474 HydrophobicContact CE1-CD1 4.12Å; F467-F474 AromaticContact CE1-CE1 3.96Å; F467-F474 HydrophobicContact CE1-CE1 3.96Å; F467-F474 HydrophobicContact CE2-CD1 4.13Å; F467-F474 AromaticContact CE2-CE1 3.61Å; F467-F474 HydrophobicContact CE2-CE1 3.61Å; F467-F474 AromaticContact CG-CD1 3.6Å; F467-F474 HydrophobicContact CG-CD1 3.6Å; F467-F474 AromaticContact CG-CE1 3.96Å; F467-F474 HydrophobicContact CG-CE1 3.96Å; F467-F474 HydrophobicContact CZ-CD1 4.29Å; F467-F474 AromaticContact CZ-CE1 3.74Å; F467-F474 HydrophobicContact CZ-CE1 3.74Å; F467-F474 HydrophobicContact CZ-CZ 4.48Å; F467-V475 HydrophobicContact CB-CG2 4.14Å; F467-F536 AromaticContact CD1-CE1 3.86Å; F467-F536 HydrophobicContact CD1-CE1 3.86Å; F467-F536 AromaticContact CD1-CZ 3.84Å; F467-F536 HydrophobicContact CD1-CZ 3.84Å; F467-F536 AromaticContact CE1-CE1 3.6Å; F467-F536 HydrophobicContact CE1-CE1 3.6Å; F467-F536 AromaticContact CE1-CE2 3.98Å; F467-F536 HydrophobicContact CE1-CE2 3.98Å; F467-F536 AromaticContact CE1-CZ 3.23Å; F467-F536 HydrophobicContact CE1-CZ 3.23Å; F467-F536 HydrophobicContact CZ-CE2 4.42Å; F467-F536 AromaticContact CZ-CZ 3.94Å; F467-F536 HydrophobicContact CZ-CZ 3.94Å
468	D	92.1	Very high	93.5	Very high	90 Å²	90	67.3 Å²	67.3	48%	0.481	33%	0.328	S	S	.	.	H	α-helix	trans	-60.1	-34.5	176.9	-73.6	-11.6	0	0	0	112.2	D464	D464-D468 WeakPolarHBondContact O-CB 3.44Å; D464-D468 VanDerWaalsContact O-CG 3.29Å; D464-D468 PolarHBondContact O-N 3.08Å
469	R	93.8	Very high	93.5	Very high	202 Å²	202	64.9 Å²	64.9	76%	0.762	32%	0.323	S	S	*	.	H	α-helix	trans	-76.4	-39.6	177.7	-68.3	175.6	-167.6	-178.3	6.4	113.5	D465 F467	D465-R469 WeakPolarHBondContact O-CD 3.37Å; D465-R469 VanDerWaalsContact O-CG 3.29Å; D465-R469 WeakPolarHBondContact O-CG 3.42Å; F467-R469 PolarHBondContact O-N 3.01Å
470	N	93.1	Very high	93.6	Very high	84 Å²	84	65.6 Å²	65.6	45%	0.449	33%	0.326	S	S	.	.	H	α-helix	trans	-103.8	-30.5	-169.7	-64.8	-68.8	0	0	0	113.8	Y466 F467	Y466-N470 WeakPolarHBondContact CE2-ND2 3.37Å; Y466-N470 PolarHBondContact O-N 3.46Å; Y466-N470 PolarHBondContact O-ND2 2.75Å; F467-N470 PolarHBondContact O-N 2.86Å
471	F	93.3	Very high	93.7	Very high	48 Å²	48	63.7 Å²	63.7	21%	0.211	32%	0.316	C	S	.	.			trans	-148	65.8	-172.9	-58.9	-79.7	0	0	0	110.8	F467 E473 F474 F536 V540	F467-F471 HydrophobicContact CD1-CD2 4.46Å; F467-F471 CarbonylContact O-C 3.58Å; F467-F471 VanDerWaalsContact O-CA 3.25Å; F467-F471 WeakPolarHBondContact O-CA 3.49Å; F467-F471 PolarHBondContact O-N 3.49Å; F467-F471 VanDerWaalsContact O-O 3.1Å; F471-E473 PolarHBondContact O-N 3.18Å; F471-E473 VanDerWaalsContact O-N 3.08Å; F471-F474 HydrophobicContact CB-CB 3.98Å; F471-F474 VanDerWaalsContact O-CB 3.24Å; F471-F474 WeakPolarHBondContact O-CB 3.39Å; F471-F474 PolarHBondContact O-N 3.45Å; F471-F536 HydrophobicContact CB-CE1 4.18Å; F471-F536 HydrophobicContact CD1-CD1 4.02Å; F471-F536 HydrophobicContact CD1-CE1 4.24Å; F471-F536 AromaticContact CD2-CD1 3.48Å; F471-F536 HydrophobicContact CD2-CD1 3.48Å; F471-F536 VanDerWaalsContact CD2-CD1 3.48Å; F471-F536 AromaticContact CD2-CE1 3.48Å; F471-F536 HydrophobicContact CD2-CE1 3.48Å; F471-F536 VanDerWaalsContact CD2-CE1 3.48Å; F471-F536 AromaticContact CE1-CD1 3.92Å; F471-F536 HydrophobicContact CE1-CD1 3.92Å; F471-F536 AromaticContact CE2-CD1 3.37Å; F471-F536 HydrophobicContact CE2-CD1 3.37Å; F471-F536 AromaticContact CE2-CE1 3.9Å; F471-F536 HydrophobicContact CE2-CE1 3.9Å; F471-F536 HydrophobicContact CE2-CG 4.39Å; F471-F536 AromaticContact CG-CD1 3.82Å; F471-F536 HydrophobicContact CG-CD1 3.82Å; F471-F536 AromaticContact CG-CE1 3.69Å; F471-F536 HydrophobicContact CG-CE1 3.69Å; F471-F536 HydrophobicContact CZ-CB 4.43Å; F471-F536 AromaticContact CZ-CD1 3.6Å; F471-F536 HydrophobicContact CZ-CD1 3.6Å; F471-F536 HydrophobicContact CZ-CE1 4.43Å; F471-F536 HydrophobicContact CZ-CG 4.49Å; F471-V540 HydrophobicContact CB-CG2 4.36Å; F471-V540 HydrophobicContact CD1-CB 4.39Å; F471-V540 HydrophobicContact CD1-CG1 4.49Å; F471-V540 HydrophobicContact CD1-CG2 3.92Å; F471-V540 HydrophobicContact CG-CG2 4.24Å
472	P	91.6	Very high	93.8	Very high	91 Å²	91	56 Å²	56	59%	0.591	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-26.6	-168.1	21.7	-34.2	0	0	0	115.1
473	E	91.6	Very high	94	Very high	93 Å²	93	57.4 Å²	57.4	44%	0.435	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-17.7	179.3	-61.6	177.7	162.4	0	0	112.8	F471 V475 A476 L477 K544	F471-E473 PolarHBondContact O-N 3.18Å; F471-E473 VanDerWaalsContact O-N 3.08Å; E473-V475 PolarHBondContact O-N 3.14Å; E473-A476 PolarHBondContact O-N 2.83Å; E473-L477 HydrophobicContact CB-CD1 4.17Å; E473-L477 VanDerWaalsContact O-CG 3.26Å; E473-L477 WeakPolarHBondContact O-CG 3.19Å; E473-L477 PolarHBondContact O-N 2.76Å; E473-L477 VanDerWaalsContact O-N 3.16Å; E473-K544 VanDerWaalsContact CD-NZ 3.35Å; E473-K544 IonicContact OE1-NZ 3.05Å; E473-K544 PolarHBondContact OE1-NZ 3.39Å; E473-K544 WeakPolarHBondContact OE2-CD 3.39Å; E473-K544 WeakPolarHBondContact OE2-CE 3.3Å; E473-K544 IonicContact OE2-NZ 2.81Å; E473-K544 PolarHBondContact OE2-NZ 3.05Å
474	F	95.1	Very high	94.2	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-63	-41.3	-167.5	168.9	-108.1	0	0	0	113.6	A237 F467 F471 A476 L477 R478 F536 V540 M543	A237-F474 HydrophobicContact CB-CE2 4.08Å; A237-F474 HydrophobicContact CB-CZ 4.43Å; A237-F474 WeakPolarHBondContact O-CZ 3.27Å; F467-F474 HydrophobicContact CB-CD1 4.05Å; F467-F474 AromaticContact CD1-CD1 3.74Å; F467-F474 HydrophobicContact CD1-CD1 3.74Å; F467-F474 HydrophobicContact CD1-CE1 4.04Å; F467-F474 AromaticContact CD2-CD1 3.81Å; F467-F474 HydrophobicContact CD2-CD1 3.81Å; F467-F474 AromaticContact CD2-CE1 3.74Å; F467-F474 HydrophobicContact CD2-CE1 3.74Å; F467-F474 HydrophobicContact CE1-CD1 4.12Å; F467-F474 AromaticContact CE1-CE1 3.96Å; F467-F474 HydrophobicContact CE1-CE1 3.96Å; F467-F474 HydrophobicContact CE2-CD1 4.13Å; F467-F474 AromaticContact CE2-CE1 3.61Å; F467-F474 HydrophobicContact CE2-CE1 3.61Å; F467-F474 AromaticContact CG-CD1 3.6Å; F467-F474 HydrophobicContact CG-CD1 3.6Å; F467-F474 AromaticContact CG-CE1 3.96Å; F467-F474 HydrophobicContact CG-CE1 3.96Å; F467-F474 HydrophobicContact CZ-CD1 4.29Å; F467-F474 AromaticContact CZ-CE1 3.74Å; F467-F474 HydrophobicContact CZ-CE1 3.74Å; F467-F474 HydrophobicContact CZ-CZ 4.48Å; F471-F474 HydrophobicContact CB-CB 3.98Å; F471-F474 VanDerWaalsContact O-CB 3.24Å; F471-F474 WeakPolarHBondContact O-CB 3.39Å; F471-F474 PolarHBondContact O-N 3.45Å; F474-A476 VanDerWaalsContact C-N 3.34Å; F474-A476 PolarHBondContact O-N 2.81Å; F474-L477 PolarHBondContact O-N 2.83Å; F474-R478 HydrophobicContact CE2-CB 4.49Å; F474-R478 HydrophobicContact CZ-CB 4.45Å; F474-R478 WeakPolarHBondContact O-CB 3.16Å; F474-R478 PolarHBondContact O-N 3.06Å; F474-F536 HydrophobicContact CD1-CZ 4.05Å; F474-F536 HydrophobicContact CD2-CE1 4.43Å; F474-F536 AromaticContact CD2-CZ 3.93Å; F474-F536 HydrophobicContact CD2-CZ 3.93Å; F474-F536 AromaticContact CE1-CZ 3.91Å; F474-F536 HydrophobicContact CE1-CZ 3.91Å; F474-F536 HydrophobicContact CE2-CE2 4.32Å; F474-F536 AromaticContact CE2-CZ 3.77Å; F474-F536 HydrophobicContact CE2-CZ 3.77Å; F474-F536 HydrophobicContact CG-CE1 4.36Å; F474-F536 HydrophobicContact CG-CZ 4.05Å; F474-F536 HydrophobicContact CZ-CE2 4.26Å; F474-F536 AromaticContact CZ-CZ 3.76Å; F474-F536 HydrophobicContact CZ-CZ 3.76Å; F474-V540 HydrophobicContact CB-CG2 4.24Å; F474-V540 HydrophobicContact CD2-CG2 3.91Å; F474-V540 HydrophobicContact CG-CG2 4.35Å; F474-M543 HydrophobicContact CD2-CE 4.41Å; F474-M543 HydrophobicContact CD2-SD 4Å; F474-M543 HydrophobicContact CE2-CE 4.22Å; F474-M543 HydrophobicContact CE2-SD 3.82Å
475	V	94	Very high	94.4	Very high	31 Å²	31	55.7 Å²	55.7	19%	0.188	28%	0.283	C	S	.	.	H	α-helix	trans	-61.5	-45	-177	176.3	0	0	0	0	110.7	F467 E473 R478 T479	F467-V475 HydrophobicContact CB-CG2 4.14Å; E473-V475 PolarHBondContact O-N 3.14Å; V475-R478 PolarHBondContact O-N 3.08Å; V475-T479 PolarHBondContact O-N 2.8Å; V475-T479 VanDerWaalsContact O-N 3.12Å; V475-T479 PolarHBondContact O-OG1 2.95Å; V475-T479 VanDerWaalsContact O-OG1 3.05Å
476	A	95.1	Very high	94.6	Very high	69 Å²	69	56 Å²	56	57%	0.57	28%	0.281	S	S	*	.	H	α-helix	trans	-64.5	-44	176.8	0	0	0	0	0	111.8	E473 F474 R478 T479 K480	E473-A476 PolarHBondContact O-N 2.83Å; F474-A476 VanDerWaalsContact C-N 3.34Å; F474-A476 PolarHBondContact O-N 2.81Å; A476-R478 VanDerWaalsContact C-N 3.35Å; A476-R478 PolarHBondContact O-N 3.16Å; A476-T479 PolarHBondContact O-N 2.8Å; A476-K480 WeakPolarHBondContact O-CB 3.4Å; A476-K480 PolarHBondContact O-N 3.01Å
477	L	96.4	Very high	94.7	Very high	18 Å²	18	56.3 Å²	56.3	9%	0.094	29%	0.285	C	S	.	.	H	α-helix	trans	-61.6	-41.3	177.8	-66.2	171.4	0	0	0	112.2	E473 F474 M481 V540 M543 K544 I547	E473-L477 HydrophobicContact CB-CD1 4.17Å; E473-L477 VanDerWaalsContact O-CG 3.26Å; E473-L477 WeakPolarHBondContact O-CG 3.19Å; E473-L477 PolarHBondContact O-N 2.76Å; E473-L477 VanDerWaalsContact O-N 3.16Å; F474-L477 PolarHBondContact O-N 2.83Å; L477-M481 VanDerWaalsContact O-CB 3.3Å; L477-M481 WeakPolarHBondContact O-CB 3.4Å; L477-M481 PolarHBondContact O-N 2.64Å; L477-V540 HydrophobicContact CD1-CG1 4.43Å; L477-M543 HydrophobicContact CB-CB 4.24Å; L477-M543 HydrophobicContact CB-CE 3.97Å; L477-M543 HydrophobicContact CD1-CB 4.19Å; L477-K544 HydrophobicContact CD1-CB 4.08Å; L477-I547 HydrophobicContact CD2-CB 3.7Å; L477-I547 HydrophobicContact CD2-CG1 3.89Å; L477-I547 HydrophobicContact CD2-CG2 3.9Å
478	R	95.7	Very high	94.8	Very high	10 Å²	10	57.1 Å²	57.1	4%	0.038	29%	0.288	C	S	.	.	H	α-helix	trans	-62.1	-50.2	176.8	179.7	-172.4	67.4	-153.5	-2.2	111.2	A237 L238 D464 F474 V475 A476 K480 M481 Q482 M543	A237-R478 WeakPolarHBondContact O-CD 3.49Å; L238-R478 HydrophobicContact CD2-CG 4.29Å; D464-R478 IonicContact OD1-NH2 3.64Å; D464-R478 PolarHBondContact OD1-NH2 2.89Å; F474-R478 HydrophobicContact CE2-CB 4.49Å; F474-R478 HydrophobicContact CZ-CB 4.45Å; F474-R478 WeakPolarHBondContact O-CB 3.16Å; F474-R478 PolarHBondContact O-N 3.06Å; V475-R478 PolarHBondContact O-N 3.08Å; A476-R478 VanDerWaalsContact C-N 3.35Å; A476-R478 PolarHBondContact O-N 3.16Å; R478-K480 VanDerWaalsContact C-N 3.33Å; R478-K480 PolarHBondContact O-N 3.43Å; R478-M481 PolarHBondContact O-N 2.69Å; R478-Q482 WeakPolarHBondContact O-CG 3.33Å; R478-Q482 PolarHBondContact O-N 2.93Å; R478-M543 HydrophobicContact CB-CE 4.15Å
479	T	95.4	Very high	94.9	Very high	60 Å²	60	57.5 Å²	57.5	37%	0.368	29%	0.287	S	S	.	.	H	α-helix	trans	-57.6	-48.5	179.2	-57.3	0	0	0	0	110.6	V475 A476 M481 Q482 E483	V475-T479 PolarHBondContact O-N 2.8Å; V475-T479 VanDerWaalsContact O-N 3.12Å; V475-T479 PolarHBondContact O-OG1 2.95Å; V475-T479 VanDerWaalsContact O-OG1 3.05Å; A476-T479 PolarHBondContact O-N 2.8Å; T479-M481 VanDerWaalsContact C-N 3.34Å; T479-M481 PolarHBondContact O-N 2.9Å; T479-Q482 PolarHBondContact O-N 2.77Å; T479-E483 WeakPolarHBondContact O-CG 3.31Å; T479-E483 PolarHBondContact O-N 3.19Å
480	K	96.3	Very high	94.8	Very high	48 Å²	48	53.4 Å²	53.4	21%	0.209	28%	0.277	C	S	.	.	H	α-helix	trans	-61.7	-41	178.8	-166.2	63.4	167.1	178.7	0	112.7	A476 R478 E483 I484 I547 D551	A476-K480 WeakPolarHBondContact O-CB 3.4Å; A476-K480 PolarHBondContact O-N 3.01Å; R478-K480 VanDerWaalsContact C-N 3.33Å; R478-K480 PolarHBondContact O-N 3.43Å; K480-E483 PolarHBondContact O-N 3.46Å; K480-I484 HydrophobicContact CG-CD1 4.32Å; K480-I484 VanDerWaalsContact O-CG1 3.29Å; K480-I484 WeakPolarHBondContact O-CG1 3.25Å; K480-I484 PolarHBondContact O-N 3.42Å; K480-I547 HydrophobicContact CB-CD1 4.19Å; K480-I547 HydrophobicContact CB-CG2 4.3Å; K480-I547 HydrophobicContact CG-CD1 4Å; K480-I547 HydrophobicContact CG-CG2 3.83Å; K480-D551 WeakPolarHBondContact CE-OD1 3.2Å; K480-D551 IonicContact NZ-OD1 2.86Å
481	M	96.3	Very high	94.9	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-65.7	-38.1	177.4	-173.3	168.5	-72.7	0	0	112.4	L238 L477 R478 T479 L485 I517 F521 M543 I547	L238-M481 HydrophobicContact CD2-CG 4.5Å; L238-M481 HydrophobicContact CD2-SD 4.46Å; L477-M481 VanDerWaalsContact O-CB 3.3Å; L477-M481 WeakPolarHBondContact O-CB 3.4Å; L477-M481 PolarHBondContact O-N 2.64Å; R478-M481 PolarHBondContact O-N 2.69Å; T479-M481 VanDerWaalsContact C-N 3.34Å; T479-M481 PolarHBondContact O-N 2.9Å; M481-L485 HydrophobicContact CG-CD1 4.42Å; M481-L485 WeakPolarHBondContact O-CG 3.45Å; M481-L485 PolarHBondContact O-N 3.14Å; M481-L485 VanDerWaalsContact O-N 3.14Å; M481-I517 HydrophobicContact CE-CD1 4.44Å; M481-I517 HydrophobicContact CE-CG1 4.21Å; M481-I517 HydrophobicContact CE-CG2 4.48Å; M481-I517 HydrophobicContact CG-CD1 4.06Å; M481-I517 HydrophobicContact CG-CG2 4.07Å; M481-I517 HydrophobicContact SD-CG2 3.97Å; M481-F521 HydrophobicContact CE-CD1 4.17Å; M481-F521 HydrophobicContact CE-CE1 4.29Å; M481-F521 HydrophobicContact CE-CG 4.43Å; M481-F521 HydrophobicContact SD-CD1 3.62Å; M481-F521 HydrophobicContact SD-CE1 3.55Å; M481-F521 VanDerWaalsContact SD-CE1 3.55Å; M481-F521 HydrophobicContact SD-CG 4.44Å; M481-F521 HydrophobicContact SD-CZ 4.31Å; M481-M543 HydrophobicContact CB-CE 4.43Å; M481-M543 HydrophobicContact CE-CB 4.16Å; M481-M543 HydrophobicContact CE-CE 4.22Å; M481-M543 HydrophobicContact CE-CG 3.76Å; M481-M543 HydrophobicContact SD-CE 4.09Å; M481-M543 HydrophobicContact SD-CG 4.39Å; M481-I547 HydrophobicContact CB-CD1 4.23Å; M481-I547 HydrophobicContact CE-CD1 4.44Å
482	Q	94.9	Very high	94.9	Very high	62 Å²	62	49.3 Å²	49.3	29%	0.29	26%	0.26	S	S	.	.	H	α-helix	trans	-66	-42.7	174.9	-73.2	-179.3	-41.2	0	0	111.7	L238 R478 T479 I484 L485 Q486	L238-Q482 HydrophobicContact CD2-CG 3.96Å; R478-Q482 WeakPolarHBondContact O-CG 3.33Å; R478-Q482 PolarHBondContact O-N 2.93Å; T479-Q482 PolarHBondContact O-N 2.77Å; Q482-I484 PolarHBondContact O-N 3.04Å; Q482-L485 PolarHBondContact O-N 3.19Å; Q482-Q486 PolarHBondContact O-N 3.09Å
483	E	96.2	Very high	94.9	Very high	90 Å²	90	51.2 Å²	51.2	42%	0.421	26%	0.26	S	S	.	.	H	α-helix	trans	-57.3	-48.8	174.4	-71.5	170.8	-179.2	0	0	111.3	T479 K480 L485 Q486 E487	T479-E483 WeakPolarHBondContact O-CG 3.31Å; T479-E483 PolarHBondContact O-N 3.19Å; K480-E483 PolarHBondContact O-N 3.46Å; E483-L485 VanDerWaalsContact C-N 3.32Å; E483-L485 PolarHBondContact O-N 3.14Å; E483-Q486 PolarHBondContact O-N 3.24Å; E483-E487 WeakPolarHBondContact O-CG 3.34Å; E483-E487 PolarHBondContact O-N 3.33Å
484	I	96.9	Very high	95	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.005	26%	0.259	C	S	.	.	H	α-helix	trans	-59.4	-42	178.7	-67.8	164	0	0	0	111.7	K480 Q482 E488 T510 V513 A514 I517 I547 Y550	K480-I484 HydrophobicContact CG-CD1 4.32Å; K480-I484 VanDerWaalsContact O-CG1 3.29Å; K480-I484 WeakPolarHBondContact O-CG1 3.25Å; K480-I484 PolarHBondContact O-N 3.42Å; Q482-I484 PolarHBondContact O-N 3.04Å; I484-E488 WeakPolarHBondContact O-CB 3.12Å; I484-E488 PolarHBondContact O-N 3.28Å; I484-T510 HydrophobicContact CG2-CG2 4.33Å; I484-V513 HydrophobicContact CD1-CG1 4.42Å; I484-V513 HydrophobicContact CG2-CG1 4.39Å; I484-A514 HydrophobicContact CG2-CB 3.99Å; I484-I517 HydrophobicContact CB-CD1 4.3Å; I484-I517 HydrophobicContact CD1-CD1 4.37Å; I484-I517 HydrophobicContact CG2-CD1 3.75Å; I484-I547 HydrophobicContact CD1-CD1 3.66Å; I484-Y550 HydrophobicContact CD1-CD1 3.67Å; I484-Y550 HydrophobicContact CD1-CD2 3.9Å; I484-Y550 HydrophobicContact CD1-CE1 3.93Å; I484-Y550 HydrophobicContact CD1-CE2 4.13Å; I484-Y550 HydrophobicContact CD1-CG 3.66Å; I484-Y550 HydrophobicContact CG1-CD1 4.28Å; I484-Y550 HydrophobicContact CG1-CD2 4.28Å; I484-Y550 HydrophobicContact CG1-CE1 4.02Å; I484-Y550 HydrophobicContact CG1-CE2 4Å; I484-Y550 HydrophobicContact CG1-CG 4.4Å
485	L	96.3	Very high	94.9	Very high	4 Å²	4	52.3 Å²	52.3	2%	0.021	27%	0.27	C	S	.	.	H	α-helix	trans	-69.8	-32.8	179.3	-72.1	170.5	0	0	0	112.5	L238 W452 M481 Q482 E483 E489 I517 K518 L522	L238-L485 HydrophobicContact CD1-CD1 4.05Å; W452-L485 HydrophobicContact CB-CD1 4.41Å; W452-L485 HydrophobicContact CG-CD1 4.18Å; M481-L485 HydrophobicContact CG-CD1 4.42Å; M481-L485 WeakPolarHBondContact O-CG 3.45Å; M481-L485 PolarHBondContact O-N 3.14Å; M481-L485 VanDerWaalsContact O-N 3.14Å; Q482-L485 PolarHBondContact O-N 3.19Å; E483-L485 VanDerWaalsContact C-N 3.32Å; E483-L485 PolarHBondContact O-N 3.14Å; L485-E489 PolarHBondContact O-N 2.69Å; L485-I517 HydrophobicContact CD1-CG2 4.26Å; L485-I517 HydrophobicContact CD2-CG2 3.96Å; L485-I517 HydrophobicContact CG-CG2 4.31Å; L485-K518 HydrophobicContact CD2-CG 4.24Å; L485-L522 HydrophobicContact CD1-CD1 4.1Å; L485-L522 HydrophobicContact CD2-CD1 4.27Å
486	Q	95.5	Very high	94.9	Very high	115 Å²	115	58.2 Å²	58.2	54%	0.537	30%	0.295	S	S	.	.	H	α-helix	trans	-72.9	-46.5	175.5	-174.9	175.1	-10.8	0	0	111.3	Q482 E483 E488 E489 E490	Q482-Q486 PolarHBondContact O-N 3.09Å; E483-Q486 PolarHBondContact O-N 3.24Å; Q486-E488 PolarHBondContact O-N 3.21Å; Q486-E489 PolarHBondContact O-N 3.4Å; Q486-E490 PolarHBondContact O-N 3.35Å
487	E	95.6	Very high	94.8	Very high	66 Å²	66	61.6 Å²	61.6	31%	0.308	30%	0.303	S	S	.	.	H	α-helix	trans	-58.2	-37.5	174.5	-72.8	-177.7	-178.6	0	0	111.3	E483 E489 E490 L491 T510	E483-E487 WeakPolarHBondContact O-CG 3.34Å; E483-E487 PolarHBondContact O-N 3.33Å; E487-E489 PolarHBondContact O-N 3Å; E487-E490 PolarHBondContact O-N 2.69Å; E487-L491 WeakPolarHBondContact O-CB 3.47Å; E487-L491 VanDerWaalsContact O-CG 3.24Å; E487-L491 WeakPolarHBondContact O-CG 3.47Å; E487-L491 PolarHBondContact O-N 3.02Å; E487-T510 HydrophobicContact CB-CG2 3.76Å; E487-T510 PolarHBondContact OE2-OG1 3.1Å
488	E	95.7	Very high	94.6	Very high	17 Å²	17	65.7 Å²	65.7	8%	0.079	33%	0.329	C	S	.	.	H	α-helix	trans	-63.1	-39	177.1	-173.8	-104.1	166.2	0	0	113.5	I484 Q486 L491 S492 L511 A514 K518	I484-E488 WeakPolarHBondContact O-CB 3.12Å; I484-E488 PolarHBondContact O-N 3.28Å; Q486-E488 PolarHBondContact O-N 3.21Å; E488-L491 PolarHBondContact O-N 3.14Å; E488-S492 WeakPolarHBondContact O-CB 3.34Å; E488-S492 PolarHBondContact O-N 3.11Å; E488-L511 HydrophobicContact CB-CD2 4.49Å; E488-L511 HydrophobicContact CG-CD2 3.69Å; E488-A514 HydrophobicContact CB-CB 3.53Å; E488-A514 HydrophobicContact CG-CB 3.53Å; E488-K518 IonicContact OE1-NZ 2.81Å; E488-K518 PolarHBondContact OE1-NZ 3.38Å; E488-K518 IonicContact OE2-NZ 3.56Å; E488-K518 PolarHBondContact OE2-NZ 2.86Å
489	E	93.3	Very high	94.4	Very high	98 Å²	98	66.5 Å²	66.5	46%	0.458	34%	0.34	S	S	.	.	H	α-helix	trans	-64.6	-45.4	178.7	-175.8	68.1	-175.7	0	0	110.6	L453 L485 Q486 E487 L491 S492 E493	L453-E489 HydrophobicContact CD1-CB 4.08Å; L453-E489 HydrophobicContact CD1-CG 3.72Å; L485-E489 PolarHBondContact O-N 2.69Å; Q486-E489 PolarHBondContact O-N 3.4Å; E487-E489 PolarHBondContact O-N 3Å; E489-L491 PolarHBondContact O-N 3.07Å; E489-S492 PolarHBondContact O-N 2.83Å; E489-E493 PolarHBondContact O-N 2.82Å
490	E	93.6	Very high	94.1	Very high	116 Å²	116	68 Å²	68	54%	0.542	34%	0.342	S	S	.	.	H	α-helix	trans	-60.4	-45	176.6	-65.1	178.6	-171.7	0	0	111.3	Q486 E487 E493 I494	Q486-E490 PolarHBondContact O-N 3.35Å; E487-E490 PolarHBondContact O-N 2.69Å; E490-E493 PolarHBondContact O-N 3.32Å; E490-I494 PolarHBondContact O-N 3.23Å
491	L	95	Very high	93.7	Very high	17 Å²	17	70.4 Å²	70.4	9%	0.089	37%	0.37	C	S	.	.	H	α-helix	trans	-68.1	-36.2	177.5	-70.1	173.3	0	0	0	112.5	E487 E488 E489 E493 I494 V495 L503 D507 T510 L511	E487-L491 WeakPolarHBondContact O-CB 3.47Å; E487-L491 VanDerWaalsContact O-CG 3.24Å; E487-L491 WeakPolarHBondContact O-CG 3.47Å; E487-L491 PolarHBondContact O-N 3.02Å; E488-L491 PolarHBondContact O-N 3.14Å; E489-L491 PolarHBondContact O-N 3.07Å; L491-E493 VanDerWaalsContact C-N 3.31Å; L491-E493 PolarHBondContact O-N 3.4Å; L491-I494 PolarHBondContact O-N 2.89Å; L491-V495 VanDerWaalsContact O-CG2 3.26Å; L491-V495 WeakPolarHBondContact O-CG2 3.29Å; L491-V495 PolarHBondContact O-N 3.25Å; L491-L503 HydrophobicContact CD2-CD2 4.15Å; L491-D507 HydrophobicContact CD1-CB 3.83Å; L491-D507 HydrophobicContact CD2-CB 3.84Å; L491-T510 HydrophobicContact CD1-CG2 4.05Å; L491-L511 HydrophobicContact CB-CD2 3.69Å; L491-L511 HydrophobicContact CB-CG 4.24Å; L491-L511 HydrophobicContact CD1-CD2 4.35Å; L491-L511 HydrophobicContact CD1-CG 4.29Å
492	S	92.6	Very high	93.4	Very high	30 Å²	30	74 Å²	74	21%	0.21	40%	0.396	C	S	.	.	H	α-helix	trans	-62.5	-38.3	178.8	-175.9	0	0	0	0	111.7	E488 E489 V495 Q496	E488-S492 WeakPolarHBondContact O-CB 3.34Å; E488-S492 PolarHBondContact O-N 3.11Å; E489-S492 PolarHBondContact O-N 2.83Å; S492-V495 PolarHBondContact O-N 3.5Å; S492-Q496 WeakPolarHBondContact O-CG 3.19Å; S492-Q496 PolarHBondContact O-N 2.87Å
493	E	91.8	Very high	93.2	Very high	130 Å²	130	71.9 Å²	71.9	61%	0.607	39%	0.386	S	S	*	.	H	α-helix	trans	-63	-45.4	173.7	-170.3	173.2	-170.3	0	0	111.3	E489 E490 L491 V495 Q496 L497	E489-E493 PolarHBondContact O-N 2.82Å; E490-E493 PolarHBondContact O-N 3.32Å; L491-E493 VanDerWaalsContact C-N 3.31Å; L491-E493 PolarHBondContact O-N 3.4Å; E493-V495 PolarHBondContact O-N 3.22Å; E493-Q496 PolarHBondContact O-N 2.9Å; E493-L497 WeakPolarHBondContact O-CG 3.17Å; E493-L497 PolarHBondContact O-N 3.04Å
494	I	93.2	Very high	93	Very high	79 Å²	79	70.2 Å²	70.2	41%	0.405	39%	0.388	S	S	.	.	H	α-helix	trans	-62.1	-42.8	176.3	-63	170.8	0	0	0	111.2	E490 L491 Q496 L497 V498 L503	E490-I494 PolarHBondContact O-N 3.23Å; L491-I494 PolarHBondContact O-N 2.89Å; I494-Q496 VanDerWaalsContact C-N 3.29Å; I494-Q496 PolarHBondContact O-N 2.88Å; I494-L497 PolarHBondContact O-N 3.26Å; I494-L497 VanDerWaalsContact O-N 3.16Å; I494-V498 HydrophobicContact CG2-CG2 4.48Å; I494-V498 PolarHBondContact O-N 3.11Å; I494-L503 HydrophobicContact CG2-CD2 4.27Å
495	V	94	Very high	92.8	Very high	37 Å²	37	72.6 Å²	72.6	22%	0.224	40%	0.399	C	S	.	.	H	α-helix	trans	-61.8	-37.3	177.9	170.1	0	0	0	0	111.6	L491 S492 E493 L497 G499 K500 L503 L511	L491-V495 VanDerWaalsContact O-CG2 3.26Å; L491-V495 WeakPolarHBondContact O-CG2 3.29Å; L491-V495 PolarHBondContact O-N 3.25Å; S492-V495 PolarHBondContact O-N 3.5Å; E493-V495 PolarHBondContact O-N 3.22Å; V495-L497 VanDerWaalsContact C-N 3.3Å; V495-L497 PolarHBondContact O-N 2.7Å; V495-G499 WeakPolarHBondContact O-CA 3.38Å; V495-G499 PolarHBondContact O-N 2.91Å; V495-K500 HydrophobicContact CG1-CB 4.16Å; V495-L503 HydrophobicContact CG2-CD1 3.47Å; V495-L503 VanDerWaalsContact CG2-CD1 3.47Å; V495-L503 HydrophobicContact CG2-CG 4.23Å; V495-L511 HydrophobicContact CG2-CD1 3.85Å
496	Q	92.8	Very high	92.6	Very high	156 Å²	156	73.6 Å²	73.6	73%	0.729	41%	0.408	S	S	*	.	H	α-helix	trans	-68.5	-30.4	177.2	-73.2	173.9	41.5	0	0	112.6	S492 E493 I494	S492-Q496 WeakPolarHBondContact O-CG 3.19Å; S492-Q496 PolarHBondContact O-N 2.87Å; E493-Q496 PolarHBondContact O-N 2.9Å; I494-Q496 VanDerWaalsContact C-N 3.29Å; I494-Q496 PolarHBondContact O-N 2.88Å
497	L	93.9	Very high	92.6	Very high	140 Å²	140	70.7 Å²	70.7	73%	0.733	40%	0.396	S	S	*	.	H	α-helix	trans	-86	-43.6	-179.1	-66.9	172.5	0	0	0	113.5	E493 I494 V495	E493-L497 WeakPolarHBondContact O-CG 3.17Å; E493-L497 PolarHBondContact O-N 3.04Å; I494-L497 PolarHBondContact O-N 3.26Å; I494-L497 VanDerWaalsContact O-N 3.16Å; V495-L497 VanDerWaalsContact C-N 3.3Å; V495-L497 PolarHBondContact O-N 2.7Å
498	V	92.6	Very high	92.5	Very high	104 Å²	104	69.5 Å²	69.5	63%	0.63	39%	0.39	S	S	*	.	H	α-helix	trans	-110.4	-30	-171	-171.1	0	0	0	0	112.6	I494 S502	I494-V498 HydrophobicContact CG2-CG2 4.48Å; I494-V498 PolarHBondContact O-N 3.11Å; V498-S502 VanDerWaalsContact CG1-OG 3.27Å; V498-S502 WeakPolarHBondContact CG1-OG 3.49Å
499	G	89.8	Confident	92.4	Very high	27 Å²	27	68.7 Å²	68.7	28%	0.278	39%	0.386	S	S	.	.			trans	101.9	156.8	-174.1	0	0	0	0	0	113.6	V495 A501 S502	V495-G499 WeakPolarHBondContact O-CA 3.38Å; V495-G499 PolarHBondContact O-N 2.91Å; G499-A501 VanDerWaalsContact C-N 3.25Å; G499-A501 PolarHBondContact O-N 3.44Å; G499-S502 PolarHBondContact O-OG 3.3Å; G499-S502 VanDerWaalsContact O-OG 3.04Å
500	K	89.2	Confident	92.6	Very high	92 Å²	92	64.2 Å²	64.2	40%	0.4	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-67.1	-20.7	-175.5	-170	174.5	-179.5	175	0	114.4	V495 S502 E512	V495-K500 HydrophobicContact CG1-CB 4.16Å; K500-S502 VanDerWaalsContact C-N 3.3Å; K500-S502 PolarHBondContact O-N 3.16Å; K500-E512 IonicContact NZ-OE1 3.86Å; K500-E512 PolarHBondContact NZ-OE1 3.05Å
501	A	88.5	Confident	92.7	Very high	98 Å²	98	59.7 Å²	59.7	81%	0.81	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-70.9	-23.6	-173.6	0	0	0	0	0	113.7	G499	G499-A501 VanDerWaalsContact C-N 3.25Å; G499-A501 PolarHBondContact O-N 3.44Å
502	S	89.3	Confident	92.6	Very high	76 Å²	76	59.3 Å²	59.3	53%	0.531	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-87.1	-4.3	-176.7	55.6	0	0	0	0	114.7	V498 G499 K500	V498-S502 VanDerWaalsContact CG1-OG 3.27Å; V498-S502 WeakPolarHBondContact CG1-OG 3.49Å; G499-S502 PolarHBondContact O-OG 3.3Å; G499-S502 VanDerWaalsContact O-OG 3.04Å; K500-S502 VanDerWaalsContact C-N 3.3Å; K500-S502 PolarHBondContact O-N 3.16Å
503	L	91	Very high	92.8	Very high	17 Å²	17	57.9 Å²	57.9	9%	0.089	33%	0.333	C	S	.	.	S	Bend	trans	-76.8	152	-177	-69.2	-178.5	0	0	0	112.9	L491 I494 V495 D507 K508 L511	L491-L503 HydrophobicContact CD2-CD2 4.15Å; I494-L503 HydrophobicContact CG2-CD2 4.27Å; V495-L503 HydrophobicContact CG2-CD1 3.47Å; V495-L503 VanDerWaalsContact CG2-CD1 3.47Å; V495-L503 HydrophobicContact CG2-CG 4.23Å; L503-D507 HydrophobicContact CB-CB 4.13Å; L503-D507 HydrophobicContact CD1-CB 4.38Å; L503-D507 HydrophobicContact CD2-CB 4.34Å; L503-K508 HydrophobicContact CB-CG 4.15Å; L503-K508 VanDerWaalsContact O-CE 3.28Å; L503-K508 WeakPolarHBondContact O-CE 3.34Å; L503-L511 HydrophobicContact CD1-CD1 3.42Å; L503-L511 VanDerWaalsContact CD1-CD1 3.42Å
504	A	92.2	Very high	93.1	Very high	55 Å²	55	51.7 Å²	51.7	46%	0.455	30%	0.304	S	S	.	.			trans	-67.4	160.3	169.6	0	0	0	0	0	111	A506 D507 K508	A504-A506 VanDerWaalsContact C-N 3.3Å; A504-A506 PolarHBondContact O-N 2.93Å; A504-D507 WeakPolarHBondContact CB-OD2 3.48Å; A504-D507 PolarHBondContact N-OD2 3.11Å; A504-D507 PolarHBondContact O-N 3.27Å; A504-K508 WeakPolarHBondContact O-CG 3.49Å; A504-K508 PolarHBondContact O-N 3.01Å; A504-K508 VanDerWaalsContact O-N 3.09Å
505	E	92.4	Very high	93.1	Very high	50 Å²	50	53.5 Å²	53.5	23%	0.234	31%	0.305	C	S	.	.	H	α-helix	trans	-64.7	-34.2	-179.9	-67.9	-58.8	126.2	0	0	112.5	K508 I509 V557 T568 W569	E505-K508 PolarHBondContact O-N 3.38Å; E505-K508 IonicContact OE1-NZ 3.85Å; E505-K508 PolarHBondContact OE1-NZ 2.94Å; E505-I509 WeakPolarHBondContact O-CG1 3.48Å; E505-I509 PolarHBondContact O-N 2.94Å; E505-I509 VanDerWaalsContact O-N 3.11Å; E505-V557 HydrophobicContact CB-CG1 3.6Å; E505-T568 HydrophobicContact CG-CG2 4.42Å; E505-T568 WeakPolarHBondContact OE2-CA 3.19Å; E505-T568 WeakPolarHBondContact OE2-CB 3.19Å; E505-W569 PolarHBondContact OE2-N 2.61Å
506	A	92.6	Very high	93.2	Very high	26 Å²	26	52.2 Å²	52.2	22%	0.215	30%	0.297	C	S	.	.	H	α-helix	trans	-62.8	-45.1	173.8	0	0	0	0	0	111.9	A504 K508 I509 T510	A504-A506 VanDerWaalsContact C-N 3.3Å; A504-A506 PolarHBondContact O-N 2.93Å; A506-K508 VanDerWaalsContact C-N 3.3Å; A506-K508 PolarHBondContact O-N 2.96Å; A506-I509 WeakPolarHBondContact O-CA 3.43Å; A506-I509 WeakPolarHBondContact O-CB 3.4Å; A506-I509 PolarHBondContact O-N 3.47Å; A506-I509 VanDerWaalsContact O-N 3.07Å; A506-T510 PolarHBondContact O-N 3.49Å; A506-T510 PolarHBondContact O-OG1 3.19Å
507	D	94.5	Very high	93.4	Very high	54 Å²	54	44.8 Å²	44.8	29%	0.289	26%	0.262	S	S	.	.	H	α-helix	trans	-62.2	-38.7	177.5	-55.4	-21.6	0	0	0	111.6	L491 L503 A504 I509 T510 L511	L491-D507 HydrophobicContact CD1-CB 3.83Å; L491-D507 HydrophobicContact CD2-CB 3.84Å; L503-D507 HydrophobicContact CB-CB 4.13Å; L503-D507 HydrophobicContact CD1-CB 4.38Å; L503-D507 HydrophobicContact CD2-CB 4.34Å; A504-D507 WeakPolarHBondContact CB-OD2 3.48Å; A504-D507 PolarHBondContact N-OD2 3.11Å; A504-D507 PolarHBondContact O-N 3.27Å; D507-I509 VanDerWaalsContact C-N 3.31Å; D507-I509 PolarHBondContact O-N 2.88Å; D507-T510 PolarHBondContact O-N 2.92Å; D507-L511 WeakPolarHBondContact O-CG 3.44Å; D507-L511 PolarHBondContact O-N 2.9Å
508	K	93.9	Very high	93.5	Very high	41 Å²	41	40 Å²	40	18%	0.178	24%	0.236	C	C	.	.	H	α-helix	trans	-62	-39.3	174.5	-69.2	173.6	-168.1	166.7	0	111.4	L503 A504 E505 A506 E512 W569	L503-K508 HydrophobicContact CB-CG 4.15Å; L503-K508 VanDerWaalsContact O-CE 3.28Å; L503-K508 WeakPolarHBondContact O-CE 3.34Å; A504-K508 WeakPolarHBondContact O-CG 3.49Å; A504-K508 PolarHBondContact O-N 3.01Å; A504-K508 VanDerWaalsContact O-N 3.09Å; E505-K508 PolarHBondContact O-N 3.38Å; E505-K508 IonicContact OE1-NZ 3.85Å; E505-K508 PolarHBondContact OE1-NZ 2.94Å; A506-K508 VanDerWaalsContact C-N 3.3Å; A506-K508 PolarHBondContact O-N 2.96Å; K508-E512 WeakPolarHBondContact O-CG 3.33Å; K508-E512 PolarHBondContact O-N 3.45Å; K508-E512 VanDerWaalsContact O-N 3.14Å; K508-W569 HydrophobicContact CB-CB 4.4Å
509	I	94.9	Very high	93.6	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-64.1	-47.5	174.4	-68.8	164.8	0	0	0	110.3	E505 A506 D507 L511 E512 V513 Y550 A553 V557 W569 I572	E505-I509 WeakPolarHBondContact O-CG1 3.48Å; E505-I509 PolarHBondContact O-N 2.94Å; E505-I509 VanDerWaalsContact O-N 3.11Å; A506-I509 WeakPolarHBondContact O-CA 3.43Å; A506-I509 WeakPolarHBondContact O-CB 3.4Å; A506-I509 PolarHBondContact O-N 3.47Å; A506-I509 VanDerWaalsContact O-N 3.07Å; D507-I509 VanDerWaalsContact C-N 3.31Å; D507-I509 PolarHBondContact O-N 2.88Å; I509-L511 VanDerWaalsContact C-N 3.34Å; I509-L511 PolarHBondContact O-N 3.44Å; I509-E512 PolarHBondContact O-N 2.99Å; I509-E512 VanDerWaalsContact O-N 3.15Å; I509-V513 HydrophobicContact CG2-CG2 4.09Å; I509-V513 WeakPolarHBondContact O-CB 3.5Å; I509-V513 WeakPolarHBondContact O-CG2 3.33Å; I509-V513 PolarHBondContact O-N 3.27Å; I509-Y550 HydrophobicContact CG2-CD2 4.11Å; I509-Y550 HydrophobicContact CG2-CE2 4.34Å; I509-A553 HydrophobicContact CD1-CB 4.08Å; I509-A553 WeakPolarHBondContact CD1-O 3.14Å; I509-A553 HydrophobicContact CG2-CB 3.88Å; I509-V557 HydrophobicContact CD1-CB 4.14Å; I509-V557 HydrophobicContact CD1-CG2 3.46Å; I509-V557 VanDerWaalsContact CD1-CG2 3.46Å; I509-W569 HydrophobicContact CG1-CB 4.41Å; I509-W569 HydrophobicContact CG1-CD2 4.44Å; I509-W569 HydrophobicContact CG1-CE3 3.82Å; I509-I572 HydrophobicContact CD1-CD1 4.26Å
510	T	96.2	Very high	93.8	Very high	4 Å²	4	37.3 Å²	37.3	3%	0.025	21%	0.211	C	C	.	.	H	α-helix	trans	-55.1	-48	177.2	-63.3	0	0	0	0	111.3	I484 E487 L491 A506 D507 E512 A514 Y550	I484-T510 HydrophobicContact CG2-CG2 4.33Å; E487-T510 HydrophobicContact CB-CG2 3.76Å; E487-T510 PolarHBondContact OE2-OG1 3.1Å; L491-T510 HydrophobicContact CD1-CG2 4.05Å; A506-T510 PolarHBondContact O-N 3.49Å; A506-T510 PolarHBondContact O-OG1 3.19Å; D507-T510 PolarHBondContact O-N 2.92Å; T510-E512 VanDerWaalsContact C-N 3.35Å; T510-E512 PolarHBondContact O-N 3.39Å; T510-A514 WeakPolarHBondContact O-CB 3.41Å; T510-A514 PolarHBondContact O-N 3.31Å; T510-Y550 PolarHBondContact OG1-OH 3.04Å
511	L	95.3	Very high	94.1	Very high	21 Å²	21	32.9 Å²	32.9	11%	0.11	19%	0.192	C	C	.	.	H	α-helix	trans	-60.4	-39.9	177.4	-71	-179.1	0	0	0	113.5	E488 L491 V495 L503 D507 I509 R515	E488-L511 HydrophobicContact CB-CD2 4.49Å; E488-L511 HydrophobicContact CG-CD2 3.69Å; L491-L511 HydrophobicContact CB-CD2 3.69Å; L491-L511 HydrophobicContact CB-CG 4.24Å; L491-L511 HydrophobicContact CD1-CD2 4.35Å; L491-L511 HydrophobicContact CD1-CG 4.29Å; V495-L511 HydrophobicContact CG2-CD1 3.85Å; L503-L511 HydrophobicContact CD1-CD1 3.42Å; L503-L511 VanDerWaalsContact CD1-CD1 3.42Å; D507-L511 WeakPolarHBondContact O-CG 3.44Å; D507-L511 PolarHBondContact O-N 2.9Å; I509-L511 VanDerWaalsContact C-N 3.34Å; I509-L511 PolarHBondContact O-N 3.44Å; L511-R515 PolarHBondContact O-N 3.3Å
512	E	94.9	Very high	94.5	Very high	8 Å²	8	28.3 Å²	28.3	4%	0.037	15%	0.154	C	C	.	.	H	α-helix	trans	-77.8	-39.5	-176	-66.3	-80.7	157.4	0	0	111.9	K500 K508 I509 T510 R515 I516 W569	K500-E512 IonicContact NZ-OE1 3.86Å; K500-E512 PolarHBondContact NZ-OE1 3.05Å; K508-E512 WeakPolarHBondContact O-CG 3.33Å; K508-E512 PolarHBondContact O-N 3.45Å; K508-E512 VanDerWaalsContact O-N 3.14Å; I509-E512 PolarHBondContact O-N 2.99Å; I509-E512 VanDerWaalsContact O-N 3.15Å; T510-E512 VanDerWaalsContact C-N 3.35Å; T510-E512 PolarHBondContact O-N 3.39Å; E512-R515 WeakPolarHBondContact O-CB 3.3Å; E512-R515 PolarHBondContact O-N 3.3Å; E512-R515 IonicContact OE1-NH1 3.75Å; E512-R515 IonicContact OE2-CZ 3.98Å; E512-R515 IonicContact OE2-NH1 2.87Å; E512-R515 PolarHBondContact OE2-NH1 3.44Å; E512-R515 IonicContact OE2-NH2 3.69Å; E512-R515 PolarHBondContact OE2-NH2 3.13Å; E512-I516 WeakPolarHBondContact O-CG1 3.45Å; E512-I516 PolarHBondContact O-N 2.93Å; E512-I516 VanDerWaalsContact O-N 3.08Å; E512-W569 HydrophobicContact CB-CH2 3.93Å; E512-W569 HydrophobicContact CB-CZ2 3.46Å; E512-W569 VanDerWaalsContact CB-CZ2 3.46Å; E512-W569 HydrophobicContact CG-CD2 4.42Å; E512-W569 HydrophobicContact CG-CZ2 3.63Å
513	V	96.4	Very high	94.7	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.006	14%	0.142	C	C	.	.	H	α-helix	trans	-66.7	-42.1	172.6	171.5	0	0	0	0	110.7	I484 I509 R515 I516 I517 I546 F549 Y550	I484-V513 HydrophobicContact CD1-CG1 4.42Å; I484-V513 HydrophobicContact CG2-CG1 4.39Å; I509-V513 HydrophobicContact CG2-CG2 4.09Å; I509-V513 WeakPolarHBondContact O-CB 3.5Å; I509-V513 WeakPolarHBondContact O-CG2 3.33Å; I509-V513 PolarHBondContact O-N 3.27Å; V513-R515 PolarHBondContact O-N 2.87Å; V513-I516 WeakPolarHBondContact O-CA 3.45Å; V513-I516 WeakPolarHBondContact O-CB 3.36Å; V513-I516 PolarHBondContact O-N 2.79Å; V513-I517 HydrophobicContact CG1-CD1 3.98Å; V513-I517 HydrophobicContact CG1-CG1 4.43Å; V513-I517 WeakPolarHBondContact O-CG1 3.24Å; V513-I517 PolarHBondContact O-N 2.75Å; V513-I546 HydrophobicContact CG1-CG2 4.14Å; V513-F549 HydrophobicContact CG2-CD1 4.07Å; V513-F549 HydrophobicContact CG2-CE1 4.19Å; V513-Y550 HydrophobicContact CB-CD2 3.93Å; V513-Y550 HydrophobicContact CG1-CD2 3.91Å; V513-Y550 HydrophobicContact CG1-CG 4.26Å; V513-Y550 HydrophobicContact CG2-CD2 3.9Å
514	A	96.5	Very high	94.8	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-59.9	-35.9	174	0	0	0	0	0	112	I484 E488 T510 I517 K518	I484-A514 HydrophobicContact CG2-CB 3.99Å; E488-A514 HydrophobicContact CB-CB 3.53Å; E488-A514 HydrophobicContact CG-CB 3.53Å; T510-A514 WeakPolarHBondContact O-CB 3.41Å; T510-A514 PolarHBondContact O-N 3.31Å; A514-I517 PolarHBondContact O-N 2.77Å; A514-K518 WeakPolarHBondContact O-CB 3.22Å; A514-K518 WeakPolarHBondContact O-CG 3.42Å; A514-K518 PolarHBondContact O-N 2.78Å
515	R	95.3	Very high	94.8	Very high	117 Å²	117	28.2 Å²	28.2	44%	0.442	14%	0.138	S	C	.	.	H	α-helix	trans	-62.2	-45.6	170.7	-170.8	-175.6	69.1	-155.3	-10.2	111.8	L511 E512 V513 I517 K518 D519	L511-R515 PolarHBondContact O-N 3.3Å; E512-R515 WeakPolarHBondContact O-CB 3.3Å; E512-R515 PolarHBondContact O-N 3.3Å; E512-R515 IonicContact OE1-NH1 3.75Å; E512-R515 IonicContact OE2-CZ 3.98Å; E512-R515 IonicContact OE2-NH1 2.87Å; E512-R515 PolarHBondContact OE2-NH1 3.44Å; E512-R515 IonicContact OE2-NH2 3.69Å; E512-R515 PolarHBondContact OE2-NH2 3.13Å; V513-R515 PolarHBondContact O-N 2.87Å; R515-I517 VanDerWaalsContact C-N 3.32Å; R515-I517 PolarHBondContact O-N 2.87Å; R515-K518 PolarHBondContact O-N 3.04Å; R515-D519 WeakPolarHBondContact CG-OD2 3.42Å; R515-D519 PolarHBondContact O-N 3.47Å
516	I	96.1	Very high	94.5	Very high	9 Å²	9	27 Å²	27	5%	0.046	14%	0.139	C	C	.	.	H	α-helix	trans	-59	-44.7	175.5	-65.8	168.2	0	0	0	110.5	E512 V513 K518 D519 D520 I546 I580 I583	E512-I516 WeakPolarHBondContact O-CG1 3.45Å; E512-I516 PolarHBondContact O-N 2.93Å; E512-I516 VanDerWaalsContact O-N 3.08Å; V513-I516 WeakPolarHBondContact O-CA 3.45Å; V513-I516 WeakPolarHBondContact O-CB 3.36Å; V513-I516 PolarHBondContact O-N 2.79Å; I516-K518 VanDerWaalsContact C-N 3.34Å; I516-K518 PolarHBondContact O-N 3.06Å; I516-D519 PolarHBondContact O-N 3.14Å; I516-D520 HydrophobicContact CG2-CB 4.46Å; I516-D520 WeakPolarHBondContact O-CB 3.23Å; I516-D520 PolarHBondContact O-N 3.34Å; I516-I546 HydrophobicContact CG2-CG1 4.42Å; I516-I580 HydrophobicContact CD1-CG2 4.22Å; I516-I583 HydrophobicContact CG2-CG2 3.82Å
517	I	96.9	Very high	94.1	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.165	C	C	.	.	I	π-helix	trans	-58.1	-47.8	175.5	-67.2	163	0	0	0	110.2	M481 I484 L485 V513 A514 R515 F521 L522 I546	M481-I517 HydrophobicContact CE-CD1 4.44Å; M481-I517 HydrophobicContact CE-CG1 4.21Å; M481-I517 HydrophobicContact CE-CG2 4.48Å; M481-I517 HydrophobicContact CG-CD1 4.06Å; M481-I517 HydrophobicContact CG-CG2 4.07Å; M481-I517 HydrophobicContact SD-CG2 3.97Å; I484-I517 HydrophobicContact CB-CD1 4.3Å; I484-I517 HydrophobicContact CD1-CD1 4.37Å; I484-I517 HydrophobicContact CG2-CD1 3.75Å; L485-I517 HydrophobicContact CD1-CG2 4.26Å; L485-I517 HydrophobicContact CD2-CG2 3.96Å; L485-I517 HydrophobicContact CG-CG2 4.31Å; V513-I517 HydrophobicContact CG1-CD1 3.98Å; V513-I517 HydrophobicContact CG1-CG1 4.43Å; V513-I517 WeakPolarHBondContact O-CG1 3.24Å; V513-I517 PolarHBondContact O-N 2.75Å; A514-I517 PolarHBondContact O-N 2.77Å; R515-I517 VanDerWaalsContact C-N 3.32Å; R515-I517 PolarHBondContact O-N 2.87Å; I517-F521 CarbonylContact O-C 3.56Å; I517-F521 WeakPolarHBondContact O-CA 3.45Å; I517-F521 VanDerWaalsContact O-CB 3.32Å; I517-F521 WeakPolarHBondContact O-CB 3.25Å; I517-F521 PolarHBondContact O-N 3.4Å; I517-F521 VanDerWaalsContact O-N 3.09Å; I517-L522 HydrophobicContact CG2-CD1 4.1Å; I517-L522 HydrophobicContact CG2-CD2 4.44Å; I517-L522 HydrophobicContact CG2-CG 3.95Å; I517-L522 PolarHBondContact O-N 3.42Å; I517-I546 HydrophobicContact CD1-CG2 4.24Å; I517-I546 HydrophobicContact CG1-CG2 3.68Å
518	K	95.3	Very high	93.8	Very high	40 Å²	40	33.1 Å²	33.1	17%	0.174	16%	0.156	C	C	.	.	I	π-helix	trans	-64.2	-43.2	-178.6	-74.4	-175.5	-63.4	-164.6	0	113.5	H446 W452 L485 E488 A514 R515 I516 L522 Q523	H446-K518 PolarHBondContact NE2-O 3.15Å; W452-K518 HydrophobicContact CH2-CD 3.64Å; W452-K518 HydrophobicContact CH2-CG 3.88Å; W452-K518 HydrophobicContact CZ2-CD 3.4Å; W452-K518 HydrophobicContact CZ2-CG 3.88Å; L485-K518 HydrophobicContact CD2-CG 4.24Å; E488-K518 IonicContact OE1-NZ 2.81Å; E488-K518 PolarHBondContact OE1-NZ 3.38Å; E488-K518 IonicContact OE2-NZ 3.56Å; E488-K518 PolarHBondContact OE2-NZ 2.86Å; A514-K518 WeakPolarHBondContact O-CB 3.22Å; A514-K518 WeakPolarHBondContact O-CG 3.42Å; A514-K518 PolarHBondContact O-N 2.78Å; R515-K518 PolarHBondContact O-N 3.04Å; I516-K518 VanDerWaalsContact C-N 3.34Å; I516-K518 PolarHBondContact O-N 3.06Å; K518-L522 HydrophobicContact CG-CD1 4.29Å; K518-Q523 WeakPolarHBondContact O-CG 3.44Å; K518-Q523 PolarHBondContact O-N 3.43Å
519	D	93.9	Very high	93.4	Very high	60 Å²	60	34.4 Å²	34.4	32%	0.321	17%	0.17	S	C	.	.	I	π-helix	trans	-90.2	-29.1	-171.4	-67.3	-23	0	0	0	113.6	R515 I516 Q523 K587	R515-D519 WeakPolarHBondContact CG-OD2 3.42Å; R515-D519 PolarHBondContact O-N 3.47Å; I516-D519 PolarHBondContact O-N 3.14Å; D519-Q523 PolarHBondContact OD1-NE2 3.34Å; D519-Q523 VanDerWaalsContact OD1-NE2 3.1Å; D519-K587 PolarHBondContact O-NZ 2.89Å
520	D	94.8	Very high	93.1	Very high	14 Å²	14	37.1 Å²	37.1	8%	0.075	18%	0.181	C	C	.	.	I	π-helix	trans	-111.6	-26.3	-173.3	-61.4	-46.2	0	0	0	114.1	R233 I516 M542 S584 K587	R233-D520 PolarHBondContact NH1-O 2.97Å; I516-D520 HydrophobicContact CG2-CB 4.46Å; I516-D520 WeakPolarHBondContact O-CB 3.23Å; I516-D520 PolarHBondContact O-N 3.34Å; D520-M542 WeakPolarHBondContact O-CE 3.28Å; D520-S584 VanDerWaalsContact CG-CA 3.49Å; D520-S584 VanDerWaalsContact OD2-CA 3.29Å; D520-S584 WeakPolarHBondContact OD2-CA 3.33Å; D520-S584 WeakPolarHBondContact OD2-CB 3.44Å; D520-S584 PolarHBondContact OD2-OG 3.4Å; D520-K587 IonicContact OD1-NZ 2.7Å; D520-K587 PolarHBondContact OD1-NZ 2.81Å
521	F	96.3	Very high	92.9	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.181	C	C	.	.	I	π-helix	trans	-103.6	-52.2	178.8	-174.5	-99.5	0	0	0	113.2	R233 A237 M481 I517 T539 M542 M543 I546	R233-F521 HydrophobicContact CB-CE1 4.43Å; R233-F521 HydrophobicContact CB-CE2 4.34Å; R233-F521 HydrophobicContact CB-CZ 4.19Å; R233-F521 WeakPolarHBondContact CD-O 3.49Å; R233-F521 HydrophobicContact CG-CE2 4.44Å; R233-F521 PolarHBondContact NE-O 2.68Å; A237-F521 HydrophobicContact CB-CE1 4.15Å; A237-F521 HydrophobicContact CB-CZ 3.9Å; M481-F521 HydrophobicContact CE-CD1 4.17Å; M481-F521 HydrophobicContact CE-CE1 4.29Å; M481-F521 HydrophobicContact CE-CG 4.43Å; M481-F521 HydrophobicContact SD-CD1 3.62Å; M481-F521 HydrophobicContact SD-CE1 3.55Å; M481-F521 VanDerWaalsContact SD-CE1 3.55Å; M481-F521 HydrophobicContact SD-CG 4.44Å; M481-F521 HydrophobicContact SD-CZ 4.31Å; I517-F521 CarbonylContact O-C 3.56Å; I517-F521 WeakPolarHBondContact O-CA 3.45Å; I517-F521 VanDerWaalsContact O-CB 3.32Å; I517-F521 WeakPolarHBondContact O-CB 3.25Å; I517-F521 PolarHBondContact O-N 3.4Å; I517-F521 VanDerWaalsContact O-N 3.09Å; F521-T539 HydrophobicContact CE2-CG2 3.77Å; F521-T539 HydrophobicContact CZ-CG2 3.6Å; F521-M542 HydrophobicContact CD2-CB 4.03Å; F521-M542 HydrophobicContact CD2-CE 4.39Å; F521-M542 HydrophobicContact CE2-CB 4.23Å; F521-M543 HydrophobicContact CD2-CG 4.26Å; F521-M543 HydrophobicContact CE1-CG 4.19Å; F521-M543 HydrophobicContact CE1-SD 4.48Å; F521-M543 HydrophobicContact CE2-CG 3.4Å; F521-M543 HydrophobicContact CE2-SD 4.25Å; F521-M543 HydrophobicContact CZ-CG 3.35Å; F521-M543 HydrophobicContact CZ-SD 3.69Å; F521-I546 HydrophobicContact CB-CD1 3.99Å; F521-I546 HydrophobicContact CD2-CD1 4.48Å
522	L	95.7	Very high	92.5	Very high	1 Å²	1	41 Å²	41	1%	0.005	19%	0.194	C	C	.	.	I	π-helix	trans	-78.2	-35.8	-175.6	-58.2	-178.2	0	0	0	113	I234 L238 W452 L485 I517 K518	I234-L522 HydrophobicContact CB-CD2 4.02Å; I234-L522 HydrophobicContact CD1-CD1 4.49Å; I234-L522 HydrophobicContact CD1-CD2 4.01Å; I234-L522 HydrophobicContact CG1-CD2 4.04Å; L238-L522 HydrophobicContact CD1-CD2 3.91Å; W452-L522 HydrophobicContact CD2-CD1 3.88Å; W452-L522 HydrophobicContact CE3-CD1 3.6Å; W452-L522 HydrophobicContact CG-CD1 4.38Å; W452-L522 HydrophobicContact CZ3-CD1 4Å; L485-L522 HydrophobicContact CD1-CD1 4.1Å; L485-L522 HydrophobicContact CD2-CD1 4.27Å; I517-L522 HydrophobicContact CG2-CD1 4.1Å; I517-L522 HydrophobicContact CG2-CD2 4.44Å; I517-L522 HydrophobicContact CG2-CG 3.95Å; I517-L522 PolarHBondContact O-N 3.42Å; K518-L522 HydrophobicContact CG-CD1 4.29Å
523	Q	94	Very high	92.3	Very high	60 Å²	60	43.9 Å²	43.9	28%	0.28	21%	0.207	S	C	.	.			trans	-69.4	133.7	170.7	-78.6	175.4	23.2	0	0	110.3	R233 H446 F447 K518 D519	R233-Q523 PolarHBondContact NH2-O 3.4Å; H446-Q523 VanDerWaalsContact CD2-CG 3.46Å; H446-Q523 WeakPolarHBondContact CD2-CG 3.41Å; H446-Q523 PolarHBondContact CD2-NE2 3.22Å; H446-Q523 VanDerWaalsContact NE2-CG 3.33Å; H446-Q523 WeakPolarHBondContact NE2-CG 3.41Å; F447-Q523 CarbonylContact O-C 3.55Å; F447-Q523 WeakPolarHBondContact O-CA 3.4Å; K518-Q523 WeakPolarHBondContact O-CG 3.44Å; K518-Q523 PolarHBondContact O-N 3.43Å; D519-Q523 PolarHBondContact OD1-NE2 3.34Å; D519-Q523 VanDerWaalsContact OD1-NE2 3.1Å
524	Q	93.7	Very high	92.1	Very high	7 Å²	7	43.9 Å²	43.9	3%	0.033	21%	0.207	C	C	.	.			trans	-145.5	124.5	176.8	-172.4	170.7	-24.8	0	0	109.8	G231 F447 G526 D531	G231-Q524 PolarHBondContact O-NE2 3.46Å; F447-Q524 PolarHBondContact O-N 2.9Å; Q524-G526 PolarHBondContact O-N 2.79Å; Q524-D531 HydrophobicContact CG-CB 3.84Å; Q524-D531 WeakPolarHBondContact CG-O 3.34Å; Q524-D531 PolarHBondContact NE2-O 3.48Å
525	N	91	Very high	92	Very high	79 Å²	79	44.5 Å²	44.5	42%	0.422	21%	0.211	S	C	.	.			trans	-90.8	100	179.5	-174.7	-0.7	0	0	0	111.1	Y527 S528 D531	N525-Y527 PolarHBondContact O-N 3.04Å; N525-Y527 PolarHBondContact OD1-N 2.99Å; N525-Y527 VanDerWaalsContact OD1-N 3.16Å; N525-S528 PolarHBondContact O-N 3.14Å; N525-S528 VanDerWaalsContact O-N 3.13Å; N525-S528 PolarHBondContact O-OG 3.39Å; N525-D531 CarbonylContact O-C 3.54Å
526	G	85.6	Confident	91.9	Very high	26 Å²	26	39.7 Å²	39.7	27%	0.268	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-15.6	-179.7	0	0	0	0	0	116.2	Q524 R532	Q524-G526 PolarHBondContact O-N 2.79Å; G526-R532 VanDerWaalsContact O-CB 3.31Å; G526-R532 WeakPolarHBondContact O-CB 3.42Å
527	Y	84.2	Confident	91.9	Very high	192 Å²	192	41 Å²	41	75%	0.753	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.6	-12.6	179.5	-57.9	-69.9	0	0	0	114	N525	N525-Y527 PolarHBondContact O-N 3.04Å; N525-Y527 PolarHBondContact OD1-N 2.99Å; N525-Y527 VanDerWaalsContact OD1-N 3.16Å
528	S	88.8	Confident	91.8	Very high	15 Å²	15	41 Å²	41	11%	0.105	20%	0.198	C	C	.	.	S	Bend	trans	-85.1	153.8	-178.3	68.4	0	0	0	0	112	N525 Y530 D531 R532	N525-S528 PolarHBondContact O-N 3.14Å; N525-S528 VanDerWaalsContact O-N 3.13Å; N525-S528 PolarHBondContact O-OG 3.39Å; S528-Y530 VanDerWaalsContact C-N 3.31Å; S528-Y530 PolarHBondContact O-N 3.4Å; S528-D531 VanDerWaalsContact OG-CB 3.28Å; S528-D531 WeakPolarHBondContact OG-CB 3.41Å; S528-D531 PolarHBondContact OG-N 3.17Å; S528-R532 WeakPolarHBondContact O-CB 3.18Å; S528-R532 WeakPolarHBondContact O-CG 3.19Å; S528-R532 PolarHBondContact O-N 3.28Å
529	S	85.8	Confident	91.8	Very high	68 Å²	68	39.1 Å²	39.1	48%	0.476	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-35.5	-179.2	67.3	0	0	0	0	113.1	R532 D590	S529-R532 PolarHBondContact O-NE 3.02Å; S529-D590 PolarHBondContact OG-OD2 3.22Å
530	Y	89.5	Confident	91.9	Very high	57 Å²	57	36.9 Å²	36.9	22%	0.224	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-24.3	-172	57.1	-97.7	0	0	0	114.7	S528 K538 K587 F588	S528-Y530 VanDerWaalsContact C-N 3.31Å; S528-Y530 PolarHBondContact O-N 3.4Å; Y530-K538 PolarHBondContact O-NZ 2.97Å; Y530-K587 WeakPolarHBondContact CD2-O 3.38Å; Y530-F588 HydrophobicContact CD2-CD1 4.25Å; Y530-F588 HydrophobicContact CE1-CD1 4.01Å; Y530-F588 AromaticContact CE2-CD1 3.6Å; Y530-F588 HydrophobicContact CE2-CD1 3.6Å; Y530-F588 HydrophobicContact CE2-CE1 4.04Å; Y530-F588 AromaticContact CZ-CD1 3.48Å; Y530-F588 VanDerWaalsContact CZ-CD1 3.48Å; Y530-F588 AromaticContact CZ-CE1 3.78Å; Y530-F588 WeakPolarHBondContact OH-CE1 3.43Å
531	D	91.1	Very high	92	Very high	5 Å²	5	36.8 Å²	36.8	3%	0.027	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.5	-1	-179.3	-89.9	-7.2	0	0	0	112.8	R233 Q524 N525 S528 F533 K538	R233-D531 IonicContact CZ-OD1 2.78Å; R233-D531 IonicContact NH2-OD1 3.64Å; R233-D531 PolarHBondContact NH2-OD1 2.9Å; R233-D531 IonicContact NH2-OD2 3.84Å; R233-D531 PolarHBondContact NH2-OD2 3.26Å; Q524-D531 HydrophobicContact CG-CB 3.84Å; Q524-D531 WeakPolarHBondContact CG-O 3.34Å; Q524-D531 PolarHBondContact NE2-O 3.48Å; N525-D531 CarbonylContact O-C 3.54Å; S528-D531 VanDerWaalsContact OG-CB 3.28Å; S528-D531 WeakPolarHBondContact OG-CB 3.41Å; S528-D531 PolarHBondContact OG-N 3.17Å; D531-F533 PolarHBondContact O-N 2.93Å; D531-K538 IonicContact OD1-NZ 2.74Å
532	R	87.8	Confident	92	Very high	102 Å²	102	36.8 Å²	36.8	39%	0.385	18%	0.18	S	C	.	.	S	Bend	trans	-59.5	-34	171.1	65.9	-172.2	177.8	157.8	1	113.1	Y267 G526 S528 S529	Y267-R532 WeakPolarHBondContact CD2-O 3.38Å; Y267-R532 HydrophobicContact CE1-CG 4.31Å; Y267-R532 HydrophobicContact CE2-CB 4.21Å; Y267-R532 WeakPolarHBondContact CE2-O 3.3Å; Y267-R532 WeakPolarHBondContact OH-CB 3.25Å; Y267-R532 WeakPolarHBondContact OH-CD 3.47Å; G526-R532 VanDerWaalsContact O-CB 3.31Å; G526-R532 WeakPolarHBondContact O-CB 3.42Å; S528-R532 WeakPolarHBondContact O-CB 3.18Å; S528-R532 WeakPolarHBondContact O-CG 3.19Å; S528-R532 PolarHBondContact O-N 3.28Å; S529-R532 PolarHBondContact O-NE 3.02Å
533	F	89.5	Confident	92	Very high	69 Å²	69	36.7 Å²	36.7	30%	0.303	18%	0.18	S	C	.	.	S	Bend	trans	-141.4	121.9	176.3	173.9	-114.1	0	0	0	109.2	G231 Y267 D531 P535	G231-F533 VanDerWaalsContact CA-CD2 3.47Å; Y267-F533 VanDerWaalsContact CB-CD2 3.49Å; Y267-F533 HydrophobicContact CD1-CB 3.76Å; Y267-F533 HydrophobicContact CD1-CD2 4.31Å; Y267-F533 HydrophobicContact CD1-CG 4.2Å; Y267-F533 HydrophobicContact CD2-CB 4.39Å; Y267-F533 HydrophobicContact CE1-CB 4.14Å; Y267-F533 HydrophobicContact CG-CB 3.92Å; Y267-F533 AromaticContact CG-CD2 3.98Å; Y267-F533 HydrophobicContact CG-CD2 3.98Å; Y267-F533 HydrophobicContact CG-CG 4.27Å; D531-F533 PolarHBondContact O-N 2.93Å; F533-P535 HydrophobicContact CD1-CG 4.08Å; F533-P535 HydrophobicContact CE1-CB 4.21Å; F533-P535 HydrophobicContact CE1-CG 3.74Å; F533-P535 WeakPolarHBondContact O-CD 3.44Å
534	C	93.3	Very high	92.2	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.176	C	C	.	.			trans	-106.2	107.6	173.1	-172.7	0	0	0	0	109.5	G231 R233 T539	G231-C534 PolarHBondContact O-N 3.22Å; R233-C534 HydrophobicContact CG-CB 3.8Å; R233-C534 VanDerWaalsContact CG-SG 3.57Å; C534-T539 PolarHBondContact SG-OG1 2.56Å
535	P	93.1	Very high	92.3	Very high	14 Å²	14	35.9 Å²	35.9	9%	0.091	18%	0.175	C	C	.	.			trans	-59	150.6	173.3	-19.7	27.8	0	0	0	111.6	F533 Y537 K538 T539 P591	F533-P535 HydrophobicContact CD1-CG 4.08Å; F533-P535 HydrophobicContact CE1-CB 4.21Å; F533-P535 HydrophobicContact CE1-CG 3.74Å; F533-P535 WeakPolarHBondContact O-CD 3.44Å; P535-Y537 VanDerWaalsContact C-N 3.29Å; P535-Y537 HydrophobicContact CB-CD1 3.63Å; P535-Y537 HydrophobicContact CB-CE1 3.23Å; P535-Y537 HydrophobicContact CB-CG 4.45Å; P535-Y537 HydrophobicContact CG-CE1 3.79Å; P535-Y537 PolarHBondContact O-N 2.96Å; P535-K538 WeakPolarHBondContact O-CB 3.39Å; P535-K538 PolarHBondContact O-N 3.05Å; P535-T539 PolarHBondContact O-N 3.4Å; P535-T539 VanDerWaalsContact O-N 3.16Å; P535-T539 PolarHBondContact O-OG1 3.41Å; P535-P591 VanDerWaalsContact CD-CG 3.42Å; P535-P591 HydrophobicContact CG-CB 3.64Å; P535-P591 HydrophobicContact CG-CG 3.78Å
536	F	94.5	Very high	92.6	Very high	15 Å²	15	32.3 Å²	32.3	7%	0.066	16%	0.156	C	C	.	.	H	α-helix	trans	-61	-35	-174	-160.9	-101.3	0	0	0	113.8	L229 D236 F467 F471 F474 K538 T539 V540	L229-F536 HydrophobicContact CD2-CB 4.32Å; L229-F536 HydrophobicContact CD2-CD2 3.92Å; L229-F536 HydrophobicContact CD2-CG 4.32Å; D236-F536 HydrophobicContact CB-CD2 4.25Å; D236-F536 HydrophobicContact CB-CE2 4.32Å; F467-F536 AromaticContact CD1-CE1 3.86Å; F467-F536 HydrophobicContact CD1-CE1 3.86Å; F467-F536 AromaticContact CD1-CZ 3.84Å; F467-F536 HydrophobicContact CD1-CZ 3.84Å; F467-F536 AromaticContact CE1-CE1 3.6Å; F467-F536 HydrophobicContact CE1-CE1 3.6Å; F467-F536 AromaticContact CE1-CE2 3.98Å; F467-F536 HydrophobicContact CE1-CE2 3.98Å; F467-F536 AromaticContact CE1-CZ 3.23Å; F467-F536 HydrophobicContact CE1-CZ 3.23Å; F467-F536 HydrophobicContact CZ-CE2 4.42Å; F467-F536 AromaticContact CZ-CZ 3.94Å; F467-F536 HydrophobicContact CZ-CZ 3.94Å; F471-F536 HydrophobicContact CB-CE1 4.18Å; F471-F536 HydrophobicContact CD1-CD1 4.02Å; F471-F536 HydrophobicContact CD1-CE1 4.24Å; F471-F536 AromaticContact CD2-CD1 3.48Å; F471-F536 HydrophobicContact CD2-CD1 3.48Å; F471-F536 VanDerWaalsContact CD2-CD1 3.48Å; F471-F536 AromaticContact CD2-CE1 3.48Å; F471-F536 HydrophobicContact CD2-CE1 3.48Å; F471-F536 VanDerWaalsContact CD2-CE1 3.48Å; F471-F536 AromaticContact CE1-CD1 3.92Å; F471-F536 HydrophobicContact CE1-CD1 3.92Å; F471-F536 AromaticContact CE2-CD1 3.37Å; F471-F536 HydrophobicContact CE2-CD1 3.37Å; F471-F536 AromaticContact CE2-CE1 3.9Å; F471-F536 HydrophobicContact CE2-CE1 3.9Å; F471-F536 HydrophobicContact CE2-CG 4.39Å; F471-F536 AromaticContact CG-CD1 3.82Å; F471-F536 HydrophobicContact CG-CD1 3.82Å; F471-F536 AromaticContact CG-CE1 3.69Å; F471-F536 HydrophobicContact CG-CE1 3.69Å; F471-F536 HydrophobicContact CZ-CB 4.43Å; F471-F536 AromaticContact CZ-CD1 3.6Å; F471-F536 HydrophobicContact CZ-CD1 3.6Å; F471-F536 HydrophobicContact CZ-CE1 4.43Å; F471-F536 HydrophobicContact CZ-CG 4.49Å; F474-F536 HydrophobicContact CD1-CZ 4.05Å; F474-F536 HydrophobicContact CD2-CE1 4.43Å; F474-F536 AromaticContact CD2-CZ 3.93Å; F474-F536 HydrophobicContact CD2-CZ 3.93Å; F474-F536 AromaticContact CE1-CZ 3.91Å; F474-F536 HydrophobicContact CE1-CZ 3.91Å; F474-F536 HydrophobicContact CE2-CE2 4.32Å; F474-F536 AromaticContact CE2-CZ 3.77Å; F474-F536 HydrophobicContact CE2-CZ 3.77Å; F474-F536 HydrophobicContact CG-CE1 4.36Å; F474-F536 HydrophobicContact CG-CZ 4.05Å; F474-F536 HydrophobicContact CZ-CE2 4.26Å; F474-F536 AromaticContact CZ-CZ 3.76Å; F474-F536 HydrophobicContact CZ-CZ 3.76Å; F536-K538 VanDerWaalsContact C-N 3.29Å; F536-K538 PolarHBondContact O-N 2.84Å; F536-T539 WeakPolarHBondContact O-CB 3.37Å; F536-T539 PolarHBondContact O-N 2.97Å; F536-V540 HydrophobicContact CD1-CG2 3.79Å; F536-V540 HydrophobicContact CE1-CG2 3.52Å; F536-V540 HydrophobicContact CZ-CG2 4.12Å; F536-V540 WeakPolarHBondContact O-CG2 3.41Å; F536-V540 PolarHBondContact O-N 3.18Å
537	Y	94.8	Very high	93.1	Very high	37 Å²	37	31.3 Å²	31.3	15%	0.145	14%	0.144	C	C	.	.	H	α-helix	trans	-63.5	-34	175.5	67.6	-97.4	0	0	0	112.7	P535 G541 K596 I599 L600	P535-Y537 VanDerWaalsContact C-N 3.29Å; P535-Y537 HydrophobicContact CB-CD1 3.63Å; P535-Y537 HydrophobicContact CB-CE1 3.23Å; P535-Y537 HydrophobicContact CB-CG 4.45Å; P535-Y537 HydrophobicContact CG-CE1 3.79Å; P535-Y537 PolarHBondContact O-N 2.96Å; Y537-G541 PolarHBondContact O-N 3.36Å; Y537-K596 HydrophobicContact CD1-CD 4.11Å; Y537-K596 HydrophobicContact CD1-CG 4.07Å; Y537-K596 HydrophobicContact CD2-CG 3.98Å; Y537-K596 HydrophobicContact CE1-CB 4.17Å; Y537-K596 HydrophobicContact CE1-CD 4.22Å; Y537-K596 HydrophobicContact CE1-CG 3.96Å; Y537-K596 HydrophobicContact CE2-CB 4.16Å; Y537-K596 HydrophobicContact CE2-CG 3.92Å; Y537-K596 HydrophobicContact CG-CD 4.4Å; Y537-K596 HydrophobicContact CG-CG 4.09Å; Y537-I599 HydrophobicContact CE2-CB 4.39Å; Y537-I599 HydrophobicContact CE2-CD1 4.37Å; Y537-I599 HydrophobicContact CE2-CG2 4.29Å; Y537-L600 HydrophobicContact CD2-CD2 4.21Å; Y537-L600 HydrophobicContact CD2-CG 4.35Å
538	K	95.5	Very high	93.7	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-68.4	-44.3	175.7	-179.7	179.9	167.9	-177.5	0	109.3	Y530 D531 P535 F536 G541 M542 K587 K589 P591 Y603	Y530-K538 PolarHBondContact O-NZ 2.97Å; D531-K538 IonicContact OD1-NZ 2.74Å; P535-K538 WeakPolarHBondContact O-CB 3.39Å; P535-K538 PolarHBondContact O-N 3.05Å; F536-K538 VanDerWaalsContact C-N 3.29Å; F536-K538 PolarHBondContact O-N 2.84Å; K538-G541 PolarHBondContact O-N 3.45Å; K538-M542 HydrophobicContact CG-SD 4.44Å; K538-M542 VanDerWaalsContact O-CG 3.28Å; K538-M542 WeakPolarHBondContact O-CG 3.14Å; K538-M542 PolarHBondContact O-N 3.48Å; K538-K587 PolarHBondContact NZ-O 3.04Å; K538-K589 PolarHBondContact NZ-O 3.36Å; K538-P591 HydrophobicContact CD-CG 4.16Å; K538-Y603 HydrophobicContact CG-CE2 4.26Å; K538-Y603 WeakPolarHBondContact CG-OH 3.42Å
539	T	96.2	Very high	94.1	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-56.7	-51.9	174.9	-52.6	0	0	0	0	111.7	R233 A237 F521 C534 P535 F536 G541 M542 M543	R233-T539 HydrophobicContact CB-CG2 4.33Å; R233-T539 HydrophobicContact CG-CG2 4.17Å; A237-T539 HydrophobicContact CB-CG2 3.97Å; F521-T539 HydrophobicContact CE2-CG2 3.77Å; F521-T539 HydrophobicContact CZ-CG2 3.6Å; C534-T539 PolarHBondContact SG-OG1 2.56Å; P535-T539 PolarHBondContact O-N 3.4Å; P535-T539 VanDerWaalsContact O-N 3.16Å; P535-T539 PolarHBondContact O-OG1 3.41Å; F536-T539 WeakPolarHBondContact O-CB 3.37Å; F536-T539 PolarHBondContact O-N 2.97Å; T539-G541 PolarHBondContact O-N 2.75Å; T539-M542 PolarHBondContact O-N 2.98Å; T539-M543 HydrophobicContact CG2-SD 4.36Å; T539-M543 WeakPolarHBondContact O-CG 3.11Å; T539-M543 PolarHBondContact O-N 2.71Å
540	V	96.1	Very high	94.6	Very high	14 Å²	14	18.8 Å²	18.8	9%	0.085	9%	0.085	C	C	.	.	H	α-helix	trans	-63.1	-44.1	-179.8	175.8	0	0	0	0	111.6	F471 F474 L477 F536 M542 M543 K544	F471-V540 HydrophobicContact CB-CG2 4.36Å; F471-V540 HydrophobicContact CD1-CB 4.39Å; F471-V540 HydrophobicContact CD1-CG1 4.49Å; F471-V540 HydrophobicContact CD1-CG2 3.92Å; F471-V540 HydrophobicContact CG-CG2 4.24Å; F474-V540 HydrophobicContact CB-CG2 4.24Å; F474-V540 HydrophobicContact CD2-CG2 3.91Å; F474-V540 HydrophobicContact CG-CG2 4.35Å; L477-V540 HydrophobicContact CD1-CG1 4.43Å; F536-V540 HydrophobicContact CD1-CG2 3.79Å; F536-V540 HydrophobicContact CE1-CG2 3.52Å; F536-V540 HydrophobicContact CZ-CG2 4.12Å; F536-V540 WeakPolarHBondContact O-CG2 3.41Å; F536-V540 PolarHBondContact O-N 3.18Å; V540-M542 PolarHBondContact O-N 3.17Å; V540-M543 PolarHBondContact O-N 2.79Å; V540-K544 PolarHBondContact O-N 3.4Å
541	G	95.4	Very high	94.9	Very high	11 Å²	11	19.4 Å²	19.4	11%	0.113	9%	0.093	C	C	.	.	H	α-helix	trans	-62.4	-40	178	0	0	0	0	0	113.3	Y537 K538 T539 K544 N545	Y537-G541 PolarHBondContact O-N 3.36Å; K538-G541 PolarHBondContact O-N 3.45Å; T539-G541 PolarHBondContact O-N 2.75Å; G541-K544 PolarHBondContact O-N 3.09Å; G541-N545 PolarHBondContact O-N 3.09Å
542	M	96.3	Very high	95.1	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-62.8	-44.6	173.1	-71.1	-173.9	68.2	0	0	112.1	R233 D520 F521 K538 T539 V540 K544 N545 I546 M586 K587 Y603	R233-M542 PolarHBondContact NH1-SD 2.77Å; R233-M542 VanDerWaalsContact NH1-SD 3.4Å; D520-M542 WeakPolarHBondContact O-CE 3.28Å; F521-M542 HydrophobicContact CD2-CB 4.03Å; F521-M542 HydrophobicContact CD2-CE 4.39Å; F521-M542 HydrophobicContact CE2-CB 4.23Å; K538-M542 HydrophobicContact CG-SD 4.44Å; K538-M542 VanDerWaalsContact O-CG 3.28Å; K538-M542 WeakPolarHBondContact O-CG 3.14Å; K538-M542 PolarHBondContact O-N 3.48Å; T539-M542 PolarHBondContact O-N 2.98Å; V540-M542 PolarHBondContact O-N 3.17Å; M542-K544 VanDerWaalsContact C-N 3.34Å; M542-K544 PolarHBondContact O-N 3.42Å; M542-N545 PolarHBondContact O-N 3.46Å; M542-I546 VanDerWaalsContact O-CG1 3.3Å; M542-I546 WeakPolarHBondContact O-CG1 3.31Å; M542-I546 PolarHBondContact O-N 3.36Å; M542-I546 VanDerWaalsContact O-N 3.13Å; M542-M586 HydrophobicContact CB-CE 4.18Å; M542-M586 HydrophobicContact CE-CB 4.02Å; M542-M586 HydrophobicContact CE-CE 4.5Å; M542-M586 HydrophobicContact CG-CB 4.01Å; M542-M586 HydrophobicContact CG-CE 4.29Å; M542-M586 HydrophobicContact CG-SD 4.4Å; M542-M586 HydrophobicContact SD-CB 4.43Å; M542-K587 HydrophobicContact CE-CB 4.14Å; M542-Y603 HydrophobicContact CG-CE2 4.2Å
543	M	96.8	Very high	95.4	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-60.9	-44.6	177.1	-67.7	175.8	74.3	0	0	111.2	A237 F474 L477 R478 M481 F521 T539 V540 N545 I546 I547	A237-M543 HydrophobicContact CB-SD 3.95Å; F474-M543 HydrophobicContact CD2-CE 4.41Å; F474-M543 HydrophobicContact CD2-SD 4Å; F474-M543 HydrophobicContact CE2-CE 4.22Å; F474-M543 HydrophobicContact CE2-SD 3.82Å; L477-M543 HydrophobicContact CB-CB 4.24Å; L477-M543 HydrophobicContact CB-CE 3.97Å; L477-M543 HydrophobicContact CD1-CB 4.19Å; R478-M543 HydrophobicContact CB-CE 4.15Å; M481-M543 HydrophobicContact CB-CE 4.43Å; M481-M543 HydrophobicContact CE-CB 4.16Å; M481-M543 HydrophobicContact CE-CE 4.22Å; M481-M543 HydrophobicContact CE-CG 3.76Å; M481-M543 HydrophobicContact SD-CE 4.09Å; M481-M543 HydrophobicContact SD-CG 4.39Å; F521-M543 HydrophobicContact CD2-CG 4.26Å; F521-M543 HydrophobicContact CE1-CG 4.19Å; F521-M543 HydrophobicContact CE1-SD 4.48Å; F521-M543 HydrophobicContact CE2-CG 3.4Å; F521-M543 HydrophobicContact CE2-SD 4.25Å; F521-M543 HydrophobicContact CZ-CG 3.35Å; F521-M543 HydrophobicContact CZ-SD 3.69Å; T539-M543 HydrophobicContact CG2-SD 4.36Å; T539-M543 WeakPolarHBondContact O-CG 3.11Å; T539-M543 PolarHBondContact O-N 2.71Å; V540-M543 PolarHBondContact O-N 2.79Å; M543-N545 PolarHBondContact O-N 3.19Å; M543-I546 PolarHBondContact O-N 3.32Å; M543-I547 WeakPolarHBondContact O-CB 3.38Å; M543-I547 VanDerWaalsContact O-CG1 3.3Å; M543-I547 WeakPolarHBondContact O-CG1 3.49Å; M543-I547 PolarHBondContact O-N 2.92Å
544	K	96.7	Very high	95.6	Very high	48 Å²	48	16.6 Å²	16.6	21%	0.209	8%	0.081	C	C	.	.	H	α-helix	trans	-54.9	-49.8	179.4	-176	175.4	-175.2	149.5	0	111.7	E473 L477 V540 G541 M542 A548 Y607	E473-K544 VanDerWaalsContact CD-NZ 3.35Å; E473-K544 IonicContact OE1-NZ 3.05Å; E473-K544 PolarHBondContact OE1-NZ 3.39Å; E473-K544 WeakPolarHBondContact OE2-CD 3.39Å; E473-K544 WeakPolarHBondContact OE2-CE 3.3Å; E473-K544 IonicContact OE2-NZ 2.81Å; E473-K544 PolarHBondContact OE2-NZ 3.05Å; L477-K544 HydrophobicContact CD1-CB 4.08Å; V540-K544 PolarHBondContact O-N 3.4Å; G541-K544 PolarHBondContact O-N 3.09Å; M542-K544 VanDerWaalsContact C-N 3.34Å; M542-K544 PolarHBondContact O-N 3.42Å; K544-A548 WeakPolarHBondContact O-CB 3.49Å; K544-A548 PolarHBondContact O-N 2.95Å; K544-Y607 HydrophobicContact CG-CD2 4.22Å; K544-Y607 HydrophobicContact CG-CE2 4.35Å
545	N	97	Very high	95.6	Very high	2 Å²	2	21.5 Å²	21.5	1%	0.011	10%	0.104	C	C	.	.	H	α-helix	trans	-69.6	-38.2	-178.2	-73.7	-12.7	0	0	0	113.2	G541 M542 M543 F549 M586 Y603 Y607 I610	G541-N545 PolarHBondContact O-N 3.09Å; M542-N545 PolarHBondContact O-N 3.46Å; M543-N545 PolarHBondContact O-N 3.19Å; N545-F549 WeakPolarHBondContact O-CB 3.18Å; N545-F549 PolarHBondContact O-N 3.3Å; N545-F549 VanDerWaalsContact O-N 3.08Å; N545-M586 HydrophobicContact CB-CE 4.01Å; N545-M586 HydrophobicContact CB-SD 3.78Å; N545-Y603 PolarHBondContact ND2-O 3.06Å; N545-Y603 PolarHBondContact OD1-O 3.17Å; N545-Y607 WeakPolarHBondContact OD1-CB 3.24Å; N545-I610 HydrophobicContact CB-CD1 4.2Å
546	I	96.9	Very high	95.5	Very high	3 Å²	3	20.9 Å²	20.9	2%	0.015	10%	0.1	C	C	.	.	H	α-helix	trans	-65.9	-45.7	177.2	-67.5	167	0	0	0	110.9	V513 I516 I517 F521 M542 M543 F549 Y550 I583 M586	V513-I546 HydrophobicContact CG1-CG2 4.14Å; I516-I546 HydrophobicContact CG2-CG1 4.42Å; I517-I546 HydrophobicContact CD1-CG2 4.24Å; I517-I546 HydrophobicContact CG1-CG2 3.68Å; F521-I546 HydrophobicContact CB-CD1 3.99Å; F521-I546 HydrophobicContact CD2-CD1 4.48Å; M542-I546 VanDerWaalsContact O-CG1 3.3Å; M542-I546 WeakPolarHBondContact O-CG1 3.31Å; M542-I546 PolarHBondContact O-N 3.36Å; M542-I546 VanDerWaalsContact O-N 3.13Å; M543-I546 PolarHBondContact O-N 3.32Å; I546-F549 PolarHBondContact O-N 3.16Å; I546-Y550 PolarHBondContact O-N 2.69Å; I546-Y550 VanDerWaalsContact O-N 3.08Å; I546-I583 HydrophobicContact CG1-CG2 3.84Å; I546-M586 HydrophobicContact CD1-CE 4.29Å; I546-M586 HydrophobicContact CG1-CE 3.93Å
547	I	96.8	Very high	95.4	Very high	5 Å²	5	20.8 Å²	20.8	3%	0.026	10%	0.1	C	C	.	.	H	α-helix	trans	-70.1	-39.2	180	-62.8	-58.1	0	0	0	111.2	L477 K480 M481 I484 M543 F549 Y550 D551	L477-I547 HydrophobicContact CD2-CB 3.7Å; L477-I547 HydrophobicContact CD2-CG1 3.89Å; L477-I547 HydrophobicContact CD2-CG2 3.9Å; K480-I547 HydrophobicContact CB-CD1 4.19Å; K480-I547 HydrophobicContact CB-CG2 4.3Å; K480-I547 HydrophobicContact CG-CD1 4Å; K480-I547 HydrophobicContact CG-CG2 3.83Å; M481-I547 HydrophobicContact CB-CD1 4.23Å; M481-I547 HydrophobicContact CE-CD1 4.44Å; I484-I547 HydrophobicContact CD1-CD1 3.66Å; M543-I547 WeakPolarHBondContact O-CB 3.38Å; M543-I547 VanDerWaalsContact O-CG1 3.3Å; M543-I547 WeakPolarHBondContact O-CG1 3.49Å; M543-I547 PolarHBondContact O-N 2.92Å; I547-F549 VanDerWaalsContact C-N 3.31Å; I547-F549 PolarHBondContact O-N 2.97Å; I547-Y550 WeakPolarHBondContact O-CB 3.47Å; I547-Y550 PolarHBondContact O-N 3.38Å; I547-Y550 VanDerWaalsContact O-N 3.11Å; I547-D551 PolarHBondContact O-N 3.24Å
548	A	96	Very high	95.2	Very high	10 Å²	10	23.8 Å²	23.8	8%	0.083	12%	0.116	C	C	.	.	H	α-helix	trans	-58.8	-43.1	174.4	0	0	0	0	0	112.1	K544 Q552 Y607	K544-A548 WeakPolarHBondContact O-CB 3.49Å; K544-A548 PolarHBondContact O-N 2.95Å; A548-Q552 WeakPolarHBondContact O-CB 3.26Å; A548-Q552 VanDerWaalsContact O-CG 3.29Å; A548-Q552 WeakPolarHBondContact O-CG 3.48Å; A548-Q552 PolarHBondContact O-N 2.98Å; A548-Q552 VanDerWaalsContact O-N 3.07Å; A548-Y607 HydrophobicContact CB-CD2 3.76Å; A548-Y607 HydrophobicContact CB-CE2 3.43Å; A548-Y607 VanDerWaalsContact CB-CE2 3.43Å
549	F	96.6	Very high	94.9	Very high	2 Å²	2	27.9 Å²	27.9	1%	0.009	14%	0.141	C	C	.	.	H	α-helix	trans	-62.2	-42	174.2	179.5	-94.4	0	0	0	111.9	V513 N545 I546 I547 A553 W569 I572 M576 I580 I583 I610 F614	V513-F549 HydrophobicContact CG2-CD1 4.07Å; V513-F549 HydrophobicContact CG2-CE1 4.19Å; N545-F549 WeakPolarHBondContact O-CB 3.18Å; N545-F549 PolarHBondContact O-N 3.3Å; N545-F549 VanDerWaalsContact O-N 3.08Å; I546-F549 PolarHBondContact O-N 3.16Å; I547-F549 VanDerWaalsContact C-N 3.31Å; I547-F549 PolarHBondContact O-N 2.97Å; F549-A553 WeakPolarHBondContact O-CB 3.44Å; F549-A553 PolarHBondContact O-N 2.83Å; F549-W569 HydrophobicContact CE1-CH2 4.3Å; F549-W569 HydrophobicContact CE1-CZ3 4.14Å; F549-W569 HydrophobicContact CZ-CH2 4.34Å; F549-W569 HydrophobicContact CZ-CZ3 4.11Å; F549-I572 HydrophobicContact CZ-CG2 4.2Å; F549-M576 HydrophobicContact CE2-CB 4.31Å; F549-I580 HydrophobicContact CE2-CG1 4.06Å; F549-I580 HydrophobicContact CZ-CD1 4.03Å; F549-I580 HydrophobicContact CZ-CG1 3.77Å; F549-I583 HydrophobicContact CB-CD1 3.83Å; F549-I583 HydrophobicContact CD1-CD1 4.47Å; F549-I583 HydrophobicContact CD2-CD1 3.83Å; F549-I583 HydrophobicContact CG-CD1 3.78Å; F549-I610 HydrophobicContact CB-CD1 4.41Å; F549-I610 HydrophobicContact CB-CG2 4.3Å; F549-I610 HydrophobicContact CD2-CG2 4.38Å; F549-F614 AromaticContact CD2-CE2 3.66Å; F549-F614 HydrophobicContact CD2-CE2 3.66Å; F549-F614 AromaticContact CD2-CZ 3.92Å; F549-F614 HydrophobicContact CD2-CZ 3.92Å; F549-F614 AromaticContact CE2-CE2 3.89Å; F549-F614 HydrophobicContact CE2-CE2 3.89Å; F549-F614 AromaticContact CE2-CZ 3.75Å; F549-F614 HydrophobicContact CE2-CZ 3.75Å; F549-F614 HydrophobicContact CG-CE2 4.43Å; F549-F614 HydrophobicContact CZ-CZ 4.33Å
550	Y	96.7	Very high	94.5	Very high	1 Å²	1	28.9 Å²	28.9	0%	0.004	15%	0.147	C	C	.	.	H	α-helix	trans	-62.3	-51.3	177.1	175.3	-97.5	0	0	0	112.6	I484 I509 T510 V513 I546 I547 Q552 A553 R554	I484-Y550 HydrophobicContact CD1-CD1 3.67Å; I484-Y550 HydrophobicContact CD1-CD2 3.9Å; I484-Y550 HydrophobicContact CD1-CE1 3.93Å; I484-Y550 HydrophobicContact CD1-CE2 4.13Å; I484-Y550 HydrophobicContact CD1-CG 3.66Å; I484-Y550 HydrophobicContact CG1-CD1 4.28Å; I484-Y550 HydrophobicContact CG1-CD2 4.28Å; I484-Y550 HydrophobicContact CG1-CE1 4.02Å; I484-Y550 HydrophobicContact CG1-CE2 4Å; I484-Y550 HydrophobicContact CG1-CG 4.4Å; I509-Y550 HydrophobicContact CG2-CD2 4.11Å; I509-Y550 HydrophobicContact CG2-CE2 4.34Å; T510-Y550 PolarHBondContact OG1-OH 3.04Å; V513-Y550 HydrophobicContact CB-CD2 3.93Å; V513-Y550 HydrophobicContact CG1-CD2 3.91Å; V513-Y550 HydrophobicContact CG1-CG 4.26Å; V513-Y550 HydrophobicContact CG2-CD2 3.9Å; I546-Y550 PolarHBondContact O-N 2.69Å; I546-Y550 VanDerWaalsContact O-N 3.08Å; I547-Y550 WeakPolarHBondContact O-CB 3.47Å; I547-Y550 PolarHBondContact O-N 3.38Å; I547-Y550 VanDerWaalsContact O-N 3.11Å; Y550-Q552 VanDerWaalsContact C-N 3.35Å; Y550-Q552 PolarHBondContact O-N 3.29Å; Y550-A553 PolarHBondContact O-N 2.88Å; Y550-R554 VanDerWaalsContact O-CB 3.32Å; Y550-R554 WeakPolarHBondContact O-CB 3.31Å; Y550-R554 PolarHBondContact O-N 3.08Å; Y550-R554 PolarHBondContact OH-NH1 3.47Å
551	D	96.2	Very high	93.9	Very high	70 Å²	70	30.5 Å²	30.5	37%	0.374	16%	0.162	S	C	.	.	H	α-helix	trans	-64.4	-40.9	-176.6	-72.9	-26.5	0	0	0	111.1	K480 I547 H555	K480-D551 WeakPolarHBondContact CE-OD1 3.2Å; K480-D551 IonicContact NZ-OD1 2.86Å; I547-D551 PolarHBondContact O-N 3.24Å; D551-H555 VanDerWaalsContact O-CB 3.26Å; D551-H555 WeakPolarHBondContact O-CB 3.43Å; D551-H555 PolarHBondContact O-N 2.97Å
552	Q	94.7	Very high	93.2	Very high	43 Å²	43	39.1 Å²	39.1	20%	0.201	20%	0.199	C	C	.	.	H	α-helix	trans	-70.6	-39.1	176.9	-67.1	-178	21.9	0	0	112.5	A548 Y550 H555 A556 I610 S611 F614	A548-Q552 WeakPolarHBondContact O-CB 3.26Å; A548-Q552 VanDerWaalsContact O-CG 3.29Å; A548-Q552 WeakPolarHBondContact O-CG 3.48Å; A548-Q552 PolarHBondContact O-N 2.98Å; A548-Q552 VanDerWaalsContact O-N 3.07Å; Y550-Q552 VanDerWaalsContact C-N 3.35Å; Y550-Q552 PolarHBondContact O-N 3.29Å; Q552-H555 PolarHBondContact O-N 3.43Å; Q552-A556 WeakPolarHBondContact O-CB 3.32Å; Q552-A556 PolarHBondContact O-N 3.44Å; Q552-I610 PolarHBondContact OE1-O 3.35Å; Q552-S611 PolarHBondContact NE2-OG 3.02Å; Q552-S611 VanDerWaalsContact OE1-CA 3.3Å; Q552-F614 HydrophobicContact CB-CB 4.3Å; Q552-F614 HydrophobicContact CB-CD1 4.31Å; Q552-F614 HydrophobicContact CB-CD2 3.44Å; Q552-F614 VanDerWaalsContact CB-CD2 3.44Å; Q552-F614 HydrophobicContact CB-CE2 3.73Å; Q552-F614 HydrophobicContact CB-CG 3.76Å; Q552-F614 HydrophobicContact CB-CZ 4.31Å; Q552-F614 HydrophobicContact CG-CD2 4.35Å
553	A	94.6	Very high	92.5	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-61.9	-44.5	174.4	0	0	0	0	0	111.7	I509 F549 Y550 V557 I572 F614	I509-A553 HydrophobicContact CD1-CB 4.08Å; I509-A553 WeakPolarHBondContact CD1-O 3.14Å; I509-A553 HydrophobicContact CG2-CB 3.88Å; F549-A553 WeakPolarHBondContact O-CB 3.44Å; F549-A553 PolarHBondContact O-N 2.83Å; Y550-A553 PolarHBondContact O-N 2.88Å; A553-V557 WeakPolarHBondContact O-CG2 3.34Å; A553-V557 PolarHBondContact O-N 3.16Å; A553-I572 HydrophobicContact CB-CD1 4.28Å; A553-F614 VanDerWaalsContact CA-CE1 3.47Å; A553-F614 HydrophobicContact CB-CE1 3.95Å; A553-F614 HydrophobicContact CB-CZ 3.69Å
554	R	93.8	Very high	91.5	Very high	73 Å²	73	49.7 Å²	49.7	28%	0.275	26%	0.259	S	S	.	.	H	α-helix	trans	-65.7	-44.7	178.3	-175.1	172.6	174.1	167.9	-0.5	111	Y550 A556 V557 E558	Y550-R554 VanDerWaalsContact O-CB 3.32Å; Y550-R554 WeakPolarHBondContact O-CB 3.31Å; Y550-R554 PolarHBondContact O-N 3.08Å; Y550-R554 PolarHBondContact OH-NH1 3.47Å; R554-A556 PolarHBondContact O-N 2.97Å; R554-V557 PolarHBondContact O-N 2.82Å; R554-E558 HydrophobicContact CG-CG 4.32Å; R554-E558 WeakPolarHBondContact CG-OE1 3.32Å; R554-E558 IonicContact CZ-OE1 2.64Å; R554-E558 IonicContact NE-OE1 3.33Å; R554-E558 PolarHBondContact NE-OE1 3.09Å; R554-E558 IonicContact NH2-OE1 3.24Å; R554-E558 WeakPolarHBondContact O-CB 3.29Å; R554-E558 WeakPolarHBondContact O-CG 3.26Å; R554-E558 PolarHBondContact O-N 2.67Å
555	H	92.7	Very high	90.7	Very high	104 Å²	104	56 Å²	56	48%	0.481	28%	0.282	S	S	.	.	H	α-helix	trans	-58.9	-47.9	176.4	-172.5	64.9	0	0	0	112.2	D551 Q552 V557 E558 V559	D551-H555 VanDerWaalsContact O-CB 3.26Å; D551-H555 WeakPolarHBondContact O-CB 3.43Å; D551-H555 PolarHBondContact O-N 2.97Å; Q552-H555 PolarHBondContact O-N 3.43Å; H555-V557 VanDerWaalsContact C-N 3.3Å; H555-V557 PolarHBondContact O-N 3.47Å; H555-E558 PolarHBondContact O-N 2.98Å; H555-V559 WeakPolarHBondContact CE1-CG2 3.32Å; H555-V559 WeakPolarHBondContact O-CB 3.38Å; H555-V559 VanDerWaalsContact O-CG2 3.3Å; H555-V559 WeakPolarHBondContact O-CG2 3.33Å; H555-V559 PolarHBondContact O-N 3.04Å
556	A	91.9	Very high	90.1	Very high	0 Å²	0	64 Å²	64	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-59.4	-39.3	179.6	0	0	0	0	0	112.5	Q552 R554 T560 V567 F614	Q552-A556 WeakPolarHBondContact O-CB 3.32Å; Q552-A556 PolarHBondContact O-N 3.44Å; R554-A556 PolarHBondContact O-N 2.97Å; A556-T560 WeakPolarHBondContact O-CB 3.11Å; A556-T560 WeakPolarHBondContact O-CG2 3.26Å; A556-T560 PolarHBondContact O-N 2.8Å; A556-T560 PolarHBondContact O-OG1 3.44Å; A556-V567 HydrophobicContact CB-CG1 4.5Å; A556-F614 HydrophobicContact CB-CD1 4.21Å
557	V	91.8	Very high	89.7	Confident	13 Å²	13	64.2 Å²	64.2	8%	0.079	31%	0.313	C	S	.	.	H	α-helix	trans	-72.7	-41.7	176.7	171.5	0	0	0	0	112.1	E505 I509 A553 R554 H555 A561 V567 I572	E505-V557 HydrophobicContact CB-CG1 3.6Å; I509-V557 HydrophobicContact CD1-CB 4.14Å; I509-V557 HydrophobicContact CD1-CG2 3.46Å; I509-V557 VanDerWaalsContact CD1-CG2 3.46Å; A553-V557 WeakPolarHBondContact O-CG2 3.34Å; A553-V557 PolarHBondContact O-N 3.16Å; R554-V557 PolarHBondContact O-N 2.82Å; H555-V557 VanDerWaalsContact C-N 3.3Å; H555-V557 PolarHBondContact O-N 3.47Å; V557-A561 PolarHBondContact O-N 3.26Å; V557-A561 VanDerWaalsContact O-N 3.15Å; V557-V567 HydrophobicContact CG2-CG1 4.23Å; V557-I572 HydrophobicContact CG2-CD1 3.98Å
558	E	90.3	Very high	89.4	Confident	100 Å²	100	66.3 Å²	66.3	47%	0.467	33%	0.327	S	S	.	.	H	α-helix	trans	-67.6	-42.5	-179.1	-74.5	176.7	179.1	0	0	112	R554 H555 A561	R554-E558 HydrophobicContact CG-CG 4.32Å; R554-E558 WeakPolarHBondContact CG-OE1 3.32Å; R554-E558 IonicContact CZ-OE1 2.64Å; R554-E558 IonicContact NE-OE1 3.33Å; R554-E558 PolarHBondContact NE-OE1 3.09Å; R554-E558 IonicContact NH2-OE1 3.24Å; R554-E558 WeakPolarHBondContact O-CB 3.29Å; R554-E558 WeakPolarHBondContact O-CG 3.26Å; R554-E558 PolarHBondContact O-N 2.67Å; H555-E558 PolarHBondContact O-N 2.98Å; E558-A561 WeakPolarHBondContact O-CB 3.33Å; E558-A561 PolarHBondContact O-N 3.1Å
559	V	89.2	Confident	89.2	Confident	87 Å²	87	66.8 Å²	66.8	53%	0.527	33%	0.326	S	S	.	.	H	α-helix	trans	-66.5	-39.8	178.9	172.2	0	0	0	0	111.6	H555 A561	H555-V559 WeakPolarHBondContact CE1-CG2 3.32Å; H555-V559 WeakPolarHBondContact O-CB 3.38Å; H555-V559 VanDerWaalsContact O-CG2 3.3Å; H555-V559 WeakPolarHBondContact O-CG2 3.33Å; H555-V559 PolarHBondContact O-N 3.04Å; V559-A561 VanDerWaalsContact C-N 3.33Å; V559-A561 PolarHBondContact O-N 3.16Å
560	T	88	Confident	88.9	Confident	21 Å²	21	70 Å²	70	13%	0.129	35%	0.353	C	S	.	.	H	α-helix	trans	-86.9	-1.4	-177	63	0	0	0	0	113.7	A556 Q562 S563 V567	A556-T560 WeakPolarHBondContact O-CB 3.11Å; A556-T560 WeakPolarHBondContact O-CG2 3.26Å; A556-T560 PolarHBondContact O-N 2.8Å; A556-T560 PolarHBondContact O-OG1 3.44Å; T560-Q562 PolarHBondContact O-N 3.15Å; T560-Q562 VanDerWaalsContact O-N 3.13Å; T560-S563 PolarHBondContact O-N 3.23Å; T560-S563 PolarHBondContact O-OG 3.15Å; T560-V567 HydrophobicContact CG2-CG2 3.85Å; T560-V567 WeakPolarHBondContact OG1-CB 3.38Å; T560-V567 PolarHBondContact OG1-N 3.4Å
561	A	83.1	Confident	88.7	Confident	48 Å²	48	73 Å²	73	40%	0.397	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-33.8	-175.3	0	0	0	0	0	114.2	V557 E558 V559 R566	V557-A561 PolarHBondContact O-N 3.26Å; V557-A561 VanDerWaalsContact O-N 3.15Å; E558-A561 WeakPolarHBondContact O-CB 3.33Å; E558-A561 PolarHBondContact O-N 3.1Å; V559-A561 VanDerWaalsContact C-N 3.33Å; V559-A561 PolarHBondContact O-N 3.16Å; A561-R566 PolarHBondContact O-NE 2.81Å; A561-R566 PolarHBondContact O-NH2 3.43Å
562	Q	80.8	Confident	88.5	Confident	191 Å²	191	69.7 Å²	69.7	89%	0.893	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.6	-7.8	178.2	-64.1	-168.9	-5.4	0	0	114.1	T560	T560-Q562 PolarHBondContact O-N 3.15Å; T560-Q562 VanDerWaalsContact O-N 3.13Å
563	S	81.9	Confident	88.4	Confident	47 Å²	47	74.9 Å²	74.9	33%	0.329	37%	0.369	S	S	.	.	S	Bend	trans	-78.3	156.7	178	75.7	0	0	0	0	111.5	T560 R565 R566	T560-S563 PolarHBondContact O-N 3.23Å; T560-S563 PolarHBondContact O-OG 3.15Å; S563-R565 PolarHBondContact O-N 2.88Å; S563-R565 PolarHBondContact OG-O 3.09Å; S563-R566 VanDerWaalsContact O-CG 3.31Å; S563-R566 WeakPolarHBondContact O-CG 3.42Å
564	D	75.5	Confident	88.3	Confident	175 Å²	175	82.7 Å²	82.7	94%	0.936	41%	0.405	S	S	*	.	S	Bend	trans	-65.4	-25.9	174.8	-75.3	-26	0	0	0	112.2
565	R	80.5	Confident	88.2	Confident	181 Å²	181	81.9 Å²	81.9	68%	0.683	41%	0.414	S	S	*	.	S	Bend	trans	-103	71.6	176.4	-67	-171.9	-174.7	177.8	5.6	110.7	S563 V567 L620	S563-R565 PolarHBondContact O-N 2.88Å; S563-R565 PolarHBondContact OG-O 3.09Å; R565-V567 PolarHBondContact O-N 3.33Å; R565-L620 PolarHBondContact NH1-O 3.01Å
566	R	84.4	Confident	88.2	Confident	169 Å²	169	77.1 Å²	77.1	64%	0.638	39%	0.392	S	S	*	.			trans	-64.9	122.9	176.8	-61.4	-175.9	179.8	178.5	-1.9	110.5	A561 S563 T568	A561-R566 PolarHBondContact O-NE 2.81Å; A561-R566 PolarHBondContact O-NH2 3.43Å; S563-R566 VanDerWaalsContact O-CG 3.31Å; S563-R566 WeakPolarHBondContact O-CG 3.42Å; R566-T568 PolarHBondContact O-N 3.29Å
567	V	88	Confident	88.3	Confident	8 Å²	8	78.7 Å²	78.7	5%	0.048	41%	0.409	C	S	.	.			trans	-70.3	125.5	167.6	174.5	0	0	0	0	107.8	A556 V557 T560 R565 I572 L617	A556-V567 HydrophobicContact CB-CG1 4.5Å; V557-V567 HydrophobicContact CG2-CG1 4.23Å; T560-V567 HydrophobicContact CG2-CG2 3.85Å; T560-V567 WeakPolarHBondContact OG1-CB 3.38Å; T560-V567 PolarHBondContact OG1-N 3.4Å; R565-V567 PolarHBondContact O-N 3.33Å; V567-I572 HydrophobicContact CG1-CD1 3.72Å; V567-I572 HydrophobicContact CG1-CG1 3.59Å; V567-L617 HydrophobicContact CB-CD2 4.16Å; V567-L617 HydrophobicContact CG1-CD2 3.47Å; V567-L617 VanDerWaalsContact CG1-CD2 3.47Å; V567-L617 HydrophobicContact CG2-CD2 3.54Å
568	T	90.9	Very high	88.3	Confident	50 Å²	50	84.7 Å²	84.7	31%	0.307	44%	0.436	S	S	.	.			trans	-110.8	158.9	174.7	60.6	0	0	0	0	109.6	E505 R566 A570 L571 I572	E505-T568 HydrophobicContact CG-CG2 4.42Å; E505-T568 WeakPolarHBondContact OE2-CA 3.19Å; E505-T568 WeakPolarHBondContact OE2-CB 3.19Å; R566-T568 PolarHBondContact O-N 3.29Å; T568-A570 PolarHBondContact O-N 3.38Å; T568-L571 WeakPolarHBondContact O-CB 3.38Å; T568-L571 PolarHBondContact O-N 3.22Å; T568-L571 VanDerWaalsContact O-N 3.1Å; T568-I572 PolarHBondContact O-N 2.82Å; T568-I572 VanDerWaalsContact O-N 3.13Å
569	W	91.6	Very high	88.5	Confident	20 Å²	20	80.3 Å²	80.3	8%	0.076	42%	0.416	C	S	.	.	H	α-helix	trans	-56.8	-34.2	174.5	169.3	-113.9	0	0	0	112.3	E505 K508 I509 E512 F549 L571 I572 R573 I580	E505-W569 PolarHBondContact OE2-N 2.61Å; K508-W569 HydrophobicContact CB-CB 4.4Å; I509-W569 HydrophobicContact CG1-CB 4.41Å; I509-W569 HydrophobicContact CG1-CD2 4.44Å; I509-W569 HydrophobicContact CG1-CE3 3.82Å; E512-W569 HydrophobicContact CB-CH2 3.93Å; E512-W569 HydrophobicContact CB-CZ2 3.46Å; E512-W569 VanDerWaalsContact CB-CZ2 3.46Å; E512-W569 HydrophobicContact CG-CD2 4.42Å; E512-W569 HydrophobicContact CG-CZ2 3.63Å; F549-W569 HydrophobicContact CE1-CH2 4.3Å; F549-W569 HydrophobicContact CE1-CZ3 4.14Å; F549-W569 HydrophobicContact CZ-CH2 4.34Å; F549-W569 HydrophobicContact CZ-CZ3 4.11Å; W569-L571 VanDerWaalsContact C-N 3.32Å; W569-L571 PolarHBondContact O-N 2.89Å; W569-I572 HydrophobicContact CE3-CB 4.15Å; W569-I572 HydrophobicContact CE3-CG2 4.13Å; W569-I572 HydrophobicContact CZ3-CB 4.46Å; W569-I572 HydrophobicContact CZ3-CG2 3.96Å; W569-I572 PolarHBondContact O-N 3.25Å; W569-R573 HydrophobicContact CZ2-CB 4.25Å; W569-R573 VanDerWaalsContact O-CB 3.29Å; W569-R573 WeakPolarHBondContact O-CB 3.39Å; W569-R573 PolarHBondContact O-N 2.76Å; W569-I580 HydrophobicContact CH2-CD1 4.12Å
570	A	91.3	Very high	88.7	Confident	68 Å²	68	77.5 Å²	77.5	56%	0.562	40%	0.398	S	S	*	.	H	α-helix	trans	-60.3	-43	177.8	0	0	0	0	0	111.9	T568 R573 E574	T568-A570 PolarHBondContact O-N 3.38Å; A570-R573 PolarHBondContact O-N 2.82Å; A570-E574 PolarHBondContact O-N 3.31Å; A570-E574 VanDerWaalsContact O-N 3.1Å
571	L	91.9	Very high	89	Confident	66 Å²	66	84 Å²	84	35%	0.346	42%	0.421	S	S	.	.	H	α-helix	trans	-65.7	-46.4	176.2	-177.5	65.7	0	0	0	111.4	T568 W569 R573 E574 A575	T568-L571 WeakPolarHBondContact O-CB 3.38Å; T568-L571 PolarHBondContact O-N 3.22Å; T568-L571 VanDerWaalsContact O-N 3.1Å; W569-L571 VanDerWaalsContact C-N 3.32Å; W569-L571 PolarHBondContact O-N 2.89Å; L571-R573 VanDerWaalsContact C-N 3.3Å; L571-R573 PolarHBondContact O-N 2.81Å; L571-E574 PolarHBondContact O-N 3.41Å; L571-A575 WeakPolarHBondContact O-CB 3.4Å; L571-A575 PolarHBondContact O-N 2.88Å
572	I	92.5	Very high	89.6	Confident	0 Å²	0	86 Å²	86	0%	0	42%	0.42	C	S	.	.	H	α-helix	trans	-58.1	-45.8	176.7	-64	171.7	0	0	0	110.1	I509 F549 A553 V557 V567 T568 W569 E574 A575 M576 F614 L617	I509-I572 HydrophobicContact CD1-CD1 4.26Å; F549-I572 HydrophobicContact CZ-CG2 4.2Å; A553-I572 HydrophobicContact CB-CD1 4.28Å; V557-I572 HydrophobicContact CG2-CD1 3.98Å; V567-I572 HydrophobicContact CG1-CD1 3.72Å; V567-I572 HydrophobicContact CG1-CG1 3.59Å; T568-I572 PolarHBondContact O-N 2.82Å; T568-I572 VanDerWaalsContact O-N 3.13Å; W569-I572 HydrophobicContact CE3-CB 4.15Å; W569-I572 HydrophobicContact CE3-CG2 4.13Å; W569-I572 HydrophobicContact CZ3-CB 4.46Å; W569-I572 HydrophobicContact CZ3-CG2 3.96Å; W569-I572 PolarHBondContact O-N 3.25Å; I572-E574 VanDerWaalsContact C-N 3.33Å; I572-E574 PolarHBondContact O-N 2.77Å; I572-A575 PolarHBondContact O-N 2.81Å; I572-M576 HydrophobicContact CG2-CB 4.44Å; I572-M576 HydrophobicContact CG2-CG 4.22Å; I572-M576 WeakPolarHBondContact O-CA 3.18Å; I572-M576 WeakPolarHBondContact O-CB 3.36Å; I572-M576 PolarHBondContact O-N 3.46Å; I572-F614 HydrophobicContact CD1-CE1 4.27Å; I572-F614 HydrophobicContact CG1-CE1 4.43Å; I572-F614 HydrophobicContact CG2-CE1 4.05Å; I572-F614 HydrophobicContact CG2-CZ 4.17Å; I572-L617 HydrophobicContact CG1-CD1 4.18Å; I572-L617 HydrophobicContact CG1-CD2 4.41Å
573	R	92.7	Very high	90.3	Very high	151 Å²	151	76.9 Å²	76.9	57%	0.57	38%	0.378	S	S	*	.	H	α-helix	trans	-62.8	-38.4	-179.3	-179.4	-179.6	170.9	-167.9	-3	112.7	W569 A570 L571 G577	W569-R573 HydrophobicContact CZ2-CB 4.25Å; W569-R573 VanDerWaalsContact O-CB 3.29Å; W569-R573 WeakPolarHBondContact O-CB 3.39Å; W569-R573 PolarHBondContact O-N 2.76Å; A570-R573 PolarHBondContact O-N 2.82Å; L571-R573 VanDerWaalsContact C-N 3.3Å; L571-R573 PolarHBondContact O-N 2.81Å; R573-G577 WeakPolarHBondContact O-CA 3.4Å; R573-G577 PolarHBondContact O-N 2.89Å
574	E	92.5	Very high	90.8	Very high	164 Å²	164	76 Å²	76	77%	0.766	37%	0.372	S	S	*	.	H	α-helix	trans	-71.3	-49.5	177.9	-174.2	174.3	-177.7	0	0	111.2	A570 L571 I572	A570-E574 PolarHBondContact O-N 3.31Å; A570-E574 VanDerWaalsContact O-N 3.1Å; L571-E574 PolarHBondContact O-N 3.41Å; I572-E574 VanDerWaalsContact C-N 3.33Å; I572-E574 PolarHBondContact O-N 2.77Å
575	A	91.8	Very high	91.7	Very high	56 Å²	56	69 Å²	69	46%	0.463	34%	0.337	S	S	.	.	H	α-helix	trans	-68.3	-40.8	-178.2	0	0	0	0	0	112.8	L571 I572 L617	L571-A575 WeakPolarHBondContact O-CB 3.4Å; L571-A575 PolarHBondContact O-N 2.88Å; I572-A575 PolarHBondContact O-N 2.81Å; A575-L617 HydrophobicContact CB-CD1 3.73Å
576	M	92.5	Very high	92.4	Very high	5 Å²	5	60.6 Å²	60.6	3%	0.025	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100	15.9	-174.1	-58.1	-68.2	-82.4	0	0	113	F549 I572 Q578 T579 I580 F614	F549-M576 HydrophobicContact CE2-CB 4.31Å; I572-M576 HydrophobicContact CG2-CB 4.44Å; I572-M576 HydrophobicContact CG2-CG 4.22Å; I572-M576 WeakPolarHBondContact O-CA 3.18Å; I572-M576 WeakPolarHBondContact O-CB 3.36Å; I572-M576 PolarHBondContact O-N 3.46Å; M576-Q578 VanDerWaalsContact C-N 3.27Å; M576-Q578 PolarHBondContact O-N 3.39Å; M576-T579 HydrophobicContact CE-CG2 4.01Å; M576-T579 WeakPolarHBondContact O-CB 3.09Å; M576-T579 PolarHBondContact O-N 3.32Å; M576-I580 WeakPolarHBondContact O-CG1 3.32Å; M576-I580 PolarHBondContact O-N 3.03Å; M576-F614 HydrophobicContact CE-CD2 3.93Å; M576-F614 HydrophobicContact CE-CE2 3.92Å; M576-F614 HydrophobicContact CE-CZ 4.49Å
577	G	92.3	Very high	92.8	Very high	33 Å²	33	54 Å²	54	34%	0.34	28%	0.281	S	S	.	.	H	α-helix	trans	-56.5	-37.7	-175.9	0	0	0	0	0	114.1	R573 Y581	R573-G577 WeakPolarHBondContact O-CA 3.4Å; R573-G577 PolarHBondContact O-N 2.89Å; G577-Y581 PolarHBondContact O-N 2.97Å; G577-Y581 VanDerWaalsContact O-N 3.11Å
578	Q	93.1	Very high	93.1	Very high	139 Å²	139	58.7 Å²	58.7	65%	0.65	30%	0.301	S	S	*	.	H	α-helix	trans	-69.7	-41	175.2	-69.4	-62	-30.6	0	0	112.3	M576 Y581 K582	M576-Q578 VanDerWaalsContact C-N 3.27Å; M576-Q578 PolarHBondContact O-N 3.39Å; Q578-Y581 WeakPolarHBondContact O-CB 3.37Å; Q578-Y581 PolarHBondContact O-N 3.25Å; Q578-K582 WeakPolarHBondContact O-CG 3.47Å; Q578-K582 PolarHBondContact O-N 3.06Å
579	T	93.3	Very high	93.2	Very high	8 Å²	8	59.3 Å²	59.3	5%	0.049	30%	0.299	C	S	.	.	H	α-helix	trans	-63.7	-43.4	176.7	-46.3	0	0	0	0	111	M576 Y581 K582 I583 L606 I610	M576-T579 HydrophobicContact CE-CG2 4.01Å; M576-T579 WeakPolarHBondContact O-CB 3.09Å; M576-T579 PolarHBondContact O-N 3.32Å; T579-Y581 VanDerWaalsContact C-N 3.31Å; T579-Y581 PolarHBondContact O-N 2.91Å; T579-K582 WeakPolarHBondContact O-CB 3.39Å; T579-K582 PolarHBondContact O-N 3.18Å; T579-K582 VanDerWaalsContact O-N 3.15Å; T579-I583 HydrophobicContact CG2-CD1 4.44Å; T579-I583 WeakPolarHBondContact O-CG1 3.43Å; T579-I583 PolarHBondContact O-N 3.14Å; T579-L606 HydrophobicContact CG2-CD1 4.19Å; T579-I610 HydrophobicContact CG2-CB 4.45Å; T579-I610 HydrophobicContact CG2-CG1 3.47Å; T579-I610 VanDerWaalsContact CG2-CG1 3.47Å
580	I	93.7	Very high	93.1	Very high	28 Å²	28	59.5 Å²	59.5	14%	0.144	30%	0.302	C	S	.	.	H	α-helix	trans	-59.6	-43.5	174.8	-65.8	167.5	0	0	0	110.4	I516 F549 W569 M576 K582 I583 S584	I516-I580 HydrophobicContact CD1-CG2 4.22Å; F549-I580 HydrophobicContact CE2-CG1 4.06Å; F549-I580 HydrophobicContact CZ-CD1 4.03Å; F549-I580 HydrophobicContact CZ-CG1 3.77Å; W569-I580 HydrophobicContact CH2-CD1 4.12Å; M576-I580 WeakPolarHBondContact O-CG1 3.32Å; M576-I580 PolarHBondContact O-N 3.03Å; I580-K582 VanDerWaalsContact C-N 3.34Å; I580-K582 PolarHBondContact O-N 3.4Å; I580-I583 PolarHBondContact O-N 3.32Å; I580-S584 PolarHBondContact O-N 3.38Å; I580-S584 PolarHBondContact O-OG 2.89Å
581	Y	95.2	Very high	92.9	Very high	158 Å²	158	57.1 Å²	57.1	62%	0.62	28%	0.281	S	S	*	.	H	α-helix	trans	-61.8	-40	175.7	178.3	-100.1	0	0	0	112.8	G577 Q578 T579 S584 S585	G577-Y581 PolarHBondContact O-N 2.97Å; G577-Y581 VanDerWaalsContact O-N 3.11Å; Q578-Y581 WeakPolarHBondContact O-CB 3.37Å; Q578-Y581 PolarHBondContact O-N 3.25Å; T579-Y581 VanDerWaalsContact C-N 3.31Å; T579-Y581 PolarHBondContact O-N 2.91Å; Y581-S584 PolarHBondContact O-N 2.82Å; Y581-S585 WeakPolarHBondContact O-CB 3.27Å; Y581-S585 PolarHBondContact O-N 3.39Å; Y581-S585 PolarHBondContact O-OG 2.83Å
582	K	95.3	Very high	92.5	Very high	88 Å²	88	58.9 Å²	58.9	38%	0.383	29%	0.294	S	S	.	.	H	α-helix	trans	-65.1	-40.8	175	-73.6	176.4	175.1	175.8	0	112.2	Q578 T579 I580 S585 M586 L606 E609	Q578-K582 WeakPolarHBondContact O-CG 3.47Å; Q578-K582 PolarHBondContact O-N 3.06Å; T579-K582 WeakPolarHBondContact O-CB 3.39Å; T579-K582 PolarHBondContact O-N 3.18Å; T579-K582 VanDerWaalsContact O-N 3.15Å; I580-K582 VanDerWaalsContact C-N 3.34Å; I580-K582 PolarHBondContact O-N 3.4Å; K582-S585 PolarHBondContact O-N 2.98Å; K582-S585 VanDerWaalsContact O-N 3.12Å; K582-M586 PolarHBondContact O-N 2.8Å; K582-L606 HydrophobicContact CB-CD1 3.7Å; K582-L606 HydrophobicContact CB-CD2 4.32Å; K582-L606 HydrophobicContact CD-CD1 4.08Å; K582-E609 WeakPolarHBondContact CD-OE2 3.43Å; K582-E609 IonicContact NZ-OE1 2.7Å; K582-E609 PolarHBondContact NZ-OE1 3.24Å; K582-E609 IonicContact NZ-OE2 2.62Å; K582-E609 PolarHBondContact NZ-OE2 3.45Å
583	I	94.3	Very high	92.3	Very high	1 Å²	1	62.7 Å²	62.7	1%	0.005	33%	0.326	C	S	.	.	H	α-helix	trans	-58.2	-49.6	173.9	-69.1	169.1	0	0	0	110	I516 I546 F549 T579 I580 S585 M586 L606 I610	I516-I583 HydrophobicContact CG2-CG2 3.82Å; I546-I583 HydrophobicContact CG1-CG2 3.84Å; F549-I583 HydrophobicContact CB-CD1 3.83Å; F549-I583 HydrophobicContact CD1-CD1 4.47Å; F549-I583 HydrophobicContact CD2-CD1 3.83Å; F549-I583 HydrophobicContact CG-CD1 3.78Å; T579-I583 HydrophobicContact CG2-CD1 4.44Å; T579-I583 WeakPolarHBondContact O-CG1 3.43Å; T579-I583 PolarHBondContact O-N 3.14Å; I580-I583 PolarHBondContact O-N 3.32Å; I583-S585 PolarHBondContact O-N 3.32Å; I583-M586 HydrophobicContact CB-CE 4.37Å; I583-M586 HydrophobicContact CG2-CE 3.85Å; I583-M586 WeakPolarHBondContact O-CB 3.46Å; I583-M586 WeakPolarHBondContact O-CE 3.3Å; I583-M586 WeakPolarHBondContact O-CG 2.98Å; I583-M586 PolarHBondContact O-N 2.84Å; I583-L606 HydrophobicContact CG1-CD2 4.2Å; I583-I610 HydrophobicContact CD1-CD1 4.02Å; I583-I610 HydrophobicContact CD1-CG1 4.41Å; I583-I610 HydrophobicContact CG1-CD1 4.3Å
584	S	93.9	Very high	92	Very high	28 Å²	28	57.5 Å²	57.5	20%	0.196	31%	0.309	C	S	.	.	H	α-helix	trans	-62.8	-28.7	176.6	-65.5	0	0	0	0	113.3	D520 I580 Y581 M586	D520-S584 VanDerWaalsContact CG-CA 3.49Å; D520-S584 VanDerWaalsContact OD2-CA 3.29Å; D520-S584 WeakPolarHBondContact OD2-CA 3.33Å; D520-S584 WeakPolarHBondContact OD2-CB 3.44Å; D520-S584 PolarHBondContact OD2-OG 3.4Å; I580-S584 PolarHBondContact O-N 3.38Å; I580-S584 PolarHBondContact O-OG 2.89Å; Y581-S584 PolarHBondContact O-N 2.82Å; S584-M586 VanDerWaalsContact C-N 3.34Å
585	S	94.5	Very high	91.8	Very high	29 Å²	29	51.1 Å²	51.1	20%	0.203	29%	0.287	C	S	.	.	H	α-helix	trans	-82.7	-7.6	-179.1	-59.3	0	0	0	0	114.2	Y581 K582 I583 K587 F588	Y581-S585 WeakPolarHBondContact O-CB 3.27Å; Y581-S585 PolarHBondContact O-N 3.39Å; Y581-S585 PolarHBondContact O-OG 2.83Å; K582-S585 PolarHBondContact O-N 2.98Å; K582-S585 VanDerWaalsContact O-N 3.12Å; I583-S585 PolarHBondContact O-N 3.32Å; S585-K587 PolarHBondContact O-N 3.18Å; S585-K587 VanDerWaalsContact O-N 3.15Å; S585-F588 WeakPolarHBondContact O-CD2 3.35Å; S585-F588 PolarHBondContact O-N 3.19Å; S585-F588 VanDerWaalsContact O-N 3.12Å
586	M	94.8	Very high	91.8	Very high	4 Å²	4	54 Å²	54	2%	0.02	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-58.2	-30.3	-178.7	-71	-168.7	-65	0	0	113.3	M542 N545 I546 K582 I583 S584 F588 K589 Y603 L606	M542-M586 HydrophobicContact CB-CE 4.18Å; M542-M586 HydrophobicContact CE-CB 4.02Å; M542-M586 HydrophobicContact CE-CE 4.5Å; M542-M586 HydrophobicContact CG-CB 4.01Å; M542-M586 HydrophobicContact CG-CE 4.29Å; M542-M586 HydrophobicContact CG-SD 4.4Å; M542-M586 HydrophobicContact SD-CB 4.43Å; N545-M586 HydrophobicContact CB-CE 4.01Å; N545-M586 HydrophobicContact CB-SD 3.78Å; I546-M586 HydrophobicContact CD1-CE 4.29Å; I546-M586 HydrophobicContact CG1-CE 3.93Å; K582-M586 PolarHBondContact O-N 2.8Å; I583-M586 HydrophobicContact CB-CE 4.37Å; I583-M586 HydrophobicContact CG2-CE 3.85Å; I583-M586 WeakPolarHBondContact O-CB 3.46Å; I583-M586 WeakPolarHBondContact O-CE 3.3Å; I583-M586 WeakPolarHBondContact O-CG 2.98Å; I583-M586 PolarHBondContact O-N 2.84Å; S584-M586 VanDerWaalsContact C-N 3.34Å; M586-F588 VanDerWaalsContact C-N 3.29Å; M586-F588 PolarHBondContact O-N 3.01Å; M586-K589 WeakPolarHBondContact O-CG 3.46Å; M586-K589 PolarHBondContact O-N 3.34Å; M586-Y603 HydrophobicContact CB-CE1 3.76Å; M586-Y603 HydrophobicContact CG-CD1 4.18Å; M586-Y603 HydrophobicContact CG-CE1 3.71Å; M586-Y603 PolarHBondContact O-OH 2.95Å; M586-Y603 HydrophobicContact SD-CD1 4.04Å; M586-Y603 HydrophobicContact SD-CE1 3.98Å; M586-L606 HydrophobicContact CG-CD2 3.83Å; M586-L606 HydrophobicContact SD-CD2 3.7Å
587	K	93.1	Very high	91.8	Very high	31 Å²	31	61.1 Å²	61.1	14%	0.135	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-65.1	-28.9	179.6	68.6	-166.4	179.9	-160.9	0	113.5	D519 D520 Y530 K538 M542 S585 K589	D519-K587 PolarHBondContact O-NZ 2.89Å; D520-K587 IonicContact OD1-NZ 2.7Å; D520-K587 PolarHBondContact OD1-NZ 2.81Å; Y530-K587 WeakPolarHBondContact CD2-O 3.38Å; K538-K587 PolarHBondContact NZ-O 3.04Å; M542-K587 HydrophobicContact CE-CB 4.14Å; S585-K587 PolarHBondContact O-N 3.18Å; S585-K587 VanDerWaalsContact O-N 3.15Å; K587-K589 PolarHBondContact O-N 2.74Å
588	F	94.2	Very high	91.9	Very high	105 Å²	105	63.7 Å²	63.7	46%	0.461	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-76.6	-4.4	-176.4	-58.8	-69.7	0	0	0	114.6	Y530 S585 M586 D590	Y530-F588 HydrophobicContact CD2-CD1 4.25Å; Y530-F588 HydrophobicContact CE1-CD1 4.01Å; Y530-F588 AromaticContact CE2-CD1 3.6Å; Y530-F588 HydrophobicContact CE2-CD1 3.6Å; Y530-F588 HydrophobicContact CE2-CE1 4.04Å; Y530-F588 AromaticContact CZ-CD1 3.48Å; Y530-F588 VanDerWaalsContact CZ-CD1 3.48Å; Y530-F588 AromaticContact CZ-CE1 3.78Å; Y530-F588 WeakPolarHBondContact OH-CE1 3.43Å; S585-F588 WeakPolarHBondContact O-CD2 3.35Å; S585-F588 PolarHBondContact O-N 3.19Å; S585-F588 VanDerWaalsContact O-N 3.12Å; M586-F588 VanDerWaalsContact C-N 3.29Å; M586-F588 PolarHBondContact O-N 3.01Å; F588-D590 PolarHBondContact O-N 3.48Å
589	K	92.4	Very high	92	Very high	64 Å²	64	57 Å²	57	28%	0.278	29%	0.293	S	S	.	.			trans	-64.7	125.7	173.3	-62.3	-66.3	-178.9	173	0	109.9	K538 M586 K587 P591 I599 D602 Y603	K538-K589 PolarHBondContact NZ-O 3.36Å; M586-K589 WeakPolarHBondContact O-CG 3.46Å; M586-K589 PolarHBondContact O-N 3.34Å; K587-K589 PolarHBondContact O-N 2.74Å; K589-P591 WeakPolarHBondContact O-CD 3.42Å; K589-I599 HydrophobicContact CB-CD1 4.17Å; K589-I599 HydrophobicContact CB-CG1 4.13Å; K589-D602 WeakPolarHBondContact CE-OD2 3.48Å; K589-D602 IonicContact NZ-OD2 2.79Å; K589-D602 PolarHBondContact NZ-OD2 3.06Å; K589-Y603 HydrophobicContact CG-CE1 4.15Å
590	D	90.9	Very high	92	Very high	23 Å²	23	59.4 Å²	59.4	12%	0.123	31%	0.305	C	S	.	.			trans	-93.5	113.5	-175.6	-169.9	-43.7	0	0	0	109.7	S529 F588 T592 A593 D594	S529-D590 PolarHBondContact OG-OD2 3.22Å; F588-D590 PolarHBondContact O-N 3.48Å; D590-T592 PolarHBondContact O-N 3.21Å; D590-T592 WeakPolarHBondContact OD1-CB 3.24Å; D590-T592 PolarHBondContact OD1-N 3.48Å; D590-T592 PolarHBondContact OD1-OG1 3.48Å; D590-A593 HydrophobicContact CB-CB 4.04Å; D590-A593 PolarHBondContact O-N 3.22Å; D590-A593 PolarHBondContact OD1-N 2.76Å; D590-D594 PolarHBondContact N-OD2 3.29Å; D590-D594 VanDerWaalsContact O-CB 3.32Å; D590-D594 WeakPolarHBondContact O-CB 3.36Å; D590-D594 PolarHBondContact O-N 3.15Å
591	P	87	Confident	92.1	Very high	19 Å²	19	65.1 Å²	65.1	12%	0.123	33%	0.325	C	S	.	.	H	α-helix	trans	-57.6	-31.9	-179	-25.9	36.1	0	0	0	114.6	P535 K538 K589	P535-P591 VanDerWaalsContact CD-CG 3.42Å; P535-P591 HydrophobicContact CG-CB 3.64Å; P535-P591 HydrophobicContact CG-CG 3.78Å; K538-P591 HydrophobicContact CD-CG 4.16Å; K589-P591 WeakPolarHBondContact O-CD 3.42Å
592	T	83.5	Confident	92.1	Very high	102 Å²	102	59.5 Å²	59.5	63%	0.626	31%	0.306	S	S	*	.	H	α-helix	trans	-81.8	-37.6	-176.7	60.9	0	0	0	0	111.9	D590	D590-T592 PolarHBondContact O-N 3.21Å; D590-T592 WeakPolarHBondContact OD1-CB 3.24Å; D590-T592 PolarHBondContact OD1-N 3.48Å; D590-T592 PolarHBondContact OD1-OG1 3.48Å
593	A	86.6	Confident	92.1	Very high	80 Å²	80	55.5 Å²	55.5	66%	0.661	29%	0.288	S	S	*	.	H	α-helix	trans	-89	-39.4	-177.6	0	0	0	0	0	113.7	D590	D590-A593 HydrophobicContact CB-CB 4.04Å; D590-A593 PolarHBondContact O-N 3.22Å; D590-A593 PolarHBondContact OD1-N 2.76Å
594	D	87.6	Confident	92.2	Very high	43 Å²	43	59.6 Å²	59.6	23%	0.23	31%	0.31	C	S	.	.	H	α-helix	trans	-83.5	-31.6	-176.6	-70.9	-45.6	0	0	0	112.5	D590 K598 I599	D590-D594 PolarHBondContact N-OD2 3.29Å; D590-D594 VanDerWaalsContact O-CB 3.32Å; D590-D594 WeakPolarHBondContact O-CB 3.36Å; D590-D594 PolarHBondContact O-N 3.15Å; D594-K598 HydrophobicContact CB-CD 4.03Å; D594-K598 WeakPolarHBondContact O-CB 3.46Å; D594-K598 IonicContact OD1-NZ 2.65Å; D594-K598 PolarHBondContact OD1-NZ 3.34Å; D594-I599 HydrophobicContact CB-CD1 4.13Å; D594-I599 HydrophobicContact CB-CG1 3.82Å
595	G	88.6	Confident	92.2	Very high	29 Å²	29	64.3 Å²	64.3	30%	0.299	33%	0.329	S	S	.	.			trans	75.6	158.8	-173.8	0	0	0	0	0	113.6	E597 I599	G595-E597 PolarHBondContact O-N 3.11Å; G595-I599 WeakPolarHBondContact O-CG1 3.3Å; G595-I599 PolarHBondContact O-N 3.06Å
596	K	92	Very high	92.3	Very high	118 Å²	118	63.5 Å²	63.5	51%	0.513	32%	0.322	S	S	.	.	H	α-helix	trans	-58.8	-48.3	-174.3	179.4	-179.1	175.9	-173	0	113.3	Y537 K598 I599 L600	Y537-K596 HydrophobicContact CD1-CD 4.11Å; Y537-K596 HydrophobicContact CD1-CG 4.07Å; Y537-K596 HydrophobicContact CD2-CG 3.98Å; Y537-K596 HydrophobicContact CE1-CB 4.17Å; Y537-K596 HydrophobicContact CE1-CD 4.22Å; Y537-K596 HydrophobicContact CE1-CG 3.96Å; Y537-K596 HydrophobicContact CE2-CB 4.16Å; Y537-K596 HydrophobicContact CE2-CG 3.92Å; Y537-K596 HydrophobicContact CG-CD 4.4Å; Y537-K596 HydrophobicContact CG-CG 4.09Å; K596-K598 VanDerWaalsContact C-N 3.34Å; K596-K598 PolarHBondContact O-N 3.39Å; K596-I599 PolarHBondContact O-N 3.22Å; K596-L600 HydrophobicContact CG-CD1 3.9Å; K596-L600 HydrophobicContact CG-CG 4.44Å; K596-L600 WeakPolarHBondContact O-CG 3.37Å; K596-L600 PolarHBondContact O-N 2.61Å
597	E	92.6	Very high	92.3	Very high	153 Å²	153	66.9 Å²	66.9	72%	0.715	34%	0.336	S	S	*	.	H	α-helix	trans	-67	-33	-173.3	-65.2	-179.8	176.7	0	0	113.4	G595 R601	G595-E597 PolarHBondContact O-N 3.11Å; E597-R601 WeakPolarHBondContact O-CG 3.43Å; E597-R601 PolarHBondContact O-N 2.84Å; E597-R601 PolarHBondContact O-NE 3.07Å
598	K	94.2	Very high	92.4	Very high	87 Å²	87	70.9 Å²	70.9	38%	0.378	36%	0.355	S	S	.	.	H	α-helix	trans	-71.2	-47	176.2	-173.8	-177.6	170.7	-163.1	0	110.6	D594 K596 L600 R601 D602	D594-K598 HydrophobicContact CB-CD 4.03Å; D594-K598 WeakPolarHBondContact O-CB 3.46Å; D594-K598 IonicContact OD1-NZ 2.65Å; D594-K598 PolarHBondContact OD1-NZ 3.34Å; K596-K598 VanDerWaalsContact C-N 3.34Å; K596-K598 PolarHBondContact O-N 3.39Å; K598-L600 VanDerWaalsContact C-N 3.33Å; K598-L600 PolarHBondContact O-N 3.05Å; K598-R601 PolarHBondContact O-N 3.33Å; K598-D602 VanDerWaalsContact O-CG 3.25Å; K598-D602 PolarHBondContact O-N 3.46Å
599	I	94.4	Very high	92.4	Very high	0 Å²	0	68.5 Å²	68.5	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-59.9	-44	179.6	-66.3	176	0	0	0	111.3	Y537 K589 D594 G595 K596 D602 Y603	Y537-I599 HydrophobicContact CE2-CB 4.39Å; Y537-I599 HydrophobicContact CE2-CD1 4.37Å; Y537-I599 HydrophobicContact CE2-CG2 4.29Å; K589-I599 HydrophobicContact CB-CD1 4.17Å; K589-I599 HydrophobicContact CB-CG1 4.13Å; D594-I599 HydrophobicContact CB-CD1 4.13Å; D594-I599 HydrophobicContact CB-CG1 3.82Å; G595-I599 WeakPolarHBondContact O-CG1 3.3Å; G595-I599 PolarHBondContact O-N 3.06Å; K596-I599 PolarHBondContact O-N 3.22Å; I599-D602 PolarHBondContact O-N 3.39Å; I599-Y603 HydrophobicContact CG2-CD2 3.9Å; I599-Y603 HydrophobicContact CG2-CE1 4.34Å; I599-Y603 HydrophobicContact CG2-CE2 3.45Å; I599-Y603 VanDerWaalsContact CG2-CE2 3.45Å; I599-Y603 VanDerWaalsContact O-CG 3.3Å; I599-Y603 PolarHBondContact O-N 3.16Å
600	L	94.4	Very high	92.5	Very high	58 Å²	58	65.4 Å²	65.4	30%	0.304	33%	0.332	S	S	.	.	H	α-helix	trans	-64	-44.5	178.4	-70.2	175.6	0	0	0	111.8	Y537 K596 K598 D602 Y603 D604	Y537-L600 HydrophobicContact CD2-CD2 4.21Å; Y537-L600 HydrophobicContact CD2-CG 4.35Å; K596-L600 HydrophobicContact CG-CD1 3.9Å; K596-L600 HydrophobicContact CG-CG 4.44Å; K596-L600 WeakPolarHBondContact O-CG 3.37Å; K596-L600 PolarHBondContact O-N 2.61Å; K598-L600 VanDerWaalsContact C-N 3.33Å; K598-L600 PolarHBondContact O-N 3.05Å; L600-D602 PolarHBondContact O-N 2.65Å; L600-Y603 PolarHBondContact O-N 2.69Å; L600-Y603 VanDerWaalsContact O-N 3.17Å; L600-D604 PolarHBondContact O-N 2.61Å
601	R	95	Very high	92.6	Very high	148 Å²	148	65.2 Å²	65.2	56%	0.558	33%	0.332	S	S	*	.	H	α-helix	trans	-59.6	-45.7	174.8	-76.7	-175.3	-69.3	157.8	-5.7	112.5	E597 K598 Y603 D604 E605	E597-R601 WeakPolarHBondContact O-CG 3.43Å; E597-R601 PolarHBondContact O-N 2.84Å; E597-R601 PolarHBondContact O-NE 3.07Å; K598-R601 PolarHBondContact O-N 3.33Å; R601-Y603 PolarHBondContact O-N 2.97Å; R601-D604 PolarHBondContact O-N 3.45Å; R601-E605 WeakPolarHBondContact O-CB 3.48Å; R601-E605 WeakPolarHBondContact O-CG 3.5Å; R601-E605 PolarHBondContact O-N 2.7Å
602	D	95.1	Very high	92.9	Very high	39 Å²	39	66.3 Å²	66.3	21%	0.209	34%	0.34	C	S	.	.	H	α-helix	trans	-60.2	-34.6	177.6	-68.9	-4.1	0	0	0	111.7	K589 K598 I599 L600 L606	K589-D602 WeakPolarHBondContact CE-OD2 3.48Å; K589-D602 IonicContact NZ-OD2 2.79Å; K589-D602 PolarHBondContact NZ-OD2 3.06Å; K598-D602 VanDerWaalsContact O-CG 3.25Å; K598-D602 PolarHBondContact O-N 3.46Å; I599-D602 PolarHBondContact O-N 3.39Å; L600-D602 PolarHBondContact O-N 2.65Å; D602-L606 WeakPolarHBondContact O-CB 3.5Å; D602-L606 PolarHBondContact O-N 2.86Å; D602-L606 VanDerWaalsContact O-N 3.17Å
603	Y	95.8	Very high	93.3	Very high	5 Å²	5	62.1 Å²	62.1	2%	0.02	32%	0.317	C	S	.	.	H	α-helix	trans	-76.3	-37.6	177.1	-68.8	-13.9	0	0	0	112.9	K538 M542 N545 M586 K589 I599 L600 R601 L606 Y607	K538-Y603 HydrophobicContact CG-CE2 4.26Å; K538-Y603 WeakPolarHBondContact CG-OH 3.42Å; M542-Y603 HydrophobicContact CG-CE2 4.2Å; N545-Y603 PolarHBondContact ND2-O 3.06Å; N545-Y603 PolarHBondContact OD1-O 3.17Å; M586-Y603 HydrophobicContact CB-CE1 3.76Å; M586-Y603 HydrophobicContact CG-CD1 4.18Å; M586-Y603 HydrophobicContact CG-CE1 3.71Å; M586-Y603 PolarHBondContact O-OH 2.95Å; M586-Y603 HydrophobicContact SD-CD1 4.04Å; M586-Y603 HydrophobicContact SD-CE1 3.98Å; K589-Y603 HydrophobicContact CG-CE1 4.15Å; I599-Y603 HydrophobicContact CG2-CD2 3.9Å; I599-Y603 HydrophobicContact CG2-CE1 4.34Å; I599-Y603 HydrophobicContact CG2-CE2 3.45Å; I599-Y603 VanDerWaalsContact CG2-CE2 3.45Å; I599-Y603 VanDerWaalsContact O-CG 3.3Å; I599-Y603 PolarHBondContact O-N 3.16Å; L600-Y603 PolarHBondContact O-N 2.69Å; L600-Y603 VanDerWaalsContact O-N 3.17Å; R601-Y603 PolarHBondContact O-N 2.97Å; Y603-L606 PolarHBondContact O-N 2.83Å; Y603-Y607 PolarHBondContact O-N 2.96Å
604	D	94.9	Very high	93.5	Very high	87 Å²	87	58.6 Å²	58.6	47%	0.465	29%	0.286	S	S	.	.	H	α-helix	trans	-66.4	-40.3	173.9	-67.9	-28.1	0	0	0	111.1	L600 R601 L606 Y607 E608	L600-D604 PolarHBondContact O-N 2.61Å; R601-D604 PolarHBondContact O-N 3.45Å; D604-L606 VanDerWaalsContact C-N 3.33Å; D604-L606 PolarHBondContact O-N 2.86Å; D604-Y607 WeakPolarHBondContact O-CB 3.39Å; D604-Y607 PolarHBondContact O-N 2.83Å; D604-E608 PolarHBondContact O-N 3.13Å
605	E	95.6	Very high	93.6	Very high	127 Å²	127	63.1 Å²	63.1	59%	0.593	30%	0.301	S	S	*	.	H	α-helix	trans	-61.1	-41	173	-74.7	177.2	-169.2	0	0	111.8	R601 Y607 E608 E609	R601-E605 WeakPolarHBondContact O-CB 3.48Å; R601-E605 WeakPolarHBondContact O-CG 3.5Å; R601-E605 PolarHBondContact O-N 2.7Å; E605-Y607 VanDerWaalsContact C-N 3.35Å; E605-E608 PolarHBondContact O-N 3.3Å; E605-E609 WeakPolarHBondContact O-CB 3.38Å; E605-E609 PolarHBondContact O-N 3.44Å
606	L	95.4	Very high	93.5	Very high	11 Å²	11	66.5 Å²	66.5	6%	0.058	31%	0.311	C	S	.	.	H	α-helix	trans	-66.7	-36.1	175.3	-178.7	59	0	0	0	112.1	T579 K582 I583 M586 D602 Y603 D604 E609 I610	T579-L606 HydrophobicContact CG2-CD1 4.19Å; K582-L606 HydrophobicContact CB-CD1 3.7Å; K582-L606 HydrophobicContact CB-CD2 4.32Å; K582-L606 HydrophobicContact CD-CD1 4.08Å; I583-L606 HydrophobicContact CG1-CD2 4.2Å; M586-L606 HydrophobicContact CG-CD2 3.83Å; M586-L606 HydrophobicContact SD-CD2 3.7Å; D602-L606 WeakPolarHBondContact O-CB 3.5Å; D602-L606 PolarHBondContact O-N 2.86Å; D602-L606 VanDerWaalsContact O-N 3.17Å; Y603-L606 PolarHBondContact O-N 2.83Å; D604-L606 VanDerWaalsContact C-N 3.33Å; D604-L606 PolarHBondContact O-N 2.86Å; L606-E609 PolarHBondContact O-N 2.88Å; L606-I610 HydrophobicContact CD1-CG1 4.5Å; L606-I610 HydrophobicContact CG-CD1 4.19Å; L606-I610 WeakPolarHBondContact O-CD1 3.3Å; L606-I610 VanDerWaalsContact O-CG1 3.23Å; L606-I610 WeakPolarHBondContact O-CG1 3.34Å; L606-I610 PolarHBondContact O-N 3.46Å
607	Y	95.4	Very high	93.2	Very high	76 Å²	76	61 Å²	61	30%	0.298	29%	0.288	S	S	.	.	H	α-helix	trans	-61.8	-44.3	174.6	-176.1	-87.7	0	0	0	111.8	K544 N545 A548 Y603 D604 E605 I610 S611	K544-Y607 HydrophobicContact CG-CD2 4.22Å; K544-Y607 HydrophobicContact CG-CE2 4.35Å; N545-Y607 WeakPolarHBondContact OD1-CB 3.24Å; A548-Y607 HydrophobicContact CB-CD2 3.76Å; A548-Y607 HydrophobicContact CB-CE2 3.43Å; A548-Y607 VanDerWaalsContact CB-CE2 3.43Å; Y603-Y607 PolarHBondContact O-N 2.96Å; D604-Y607 WeakPolarHBondContact O-CB 3.39Å; D604-Y607 PolarHBondContact O-N 2.83Å; E605-Y607 VanDerWaalsContact C-N 3.35Å; Y607-I610 PolarHBondContact O-N 3.12Å; Y607-S611 PolarHBondContact O-N 2.94Å; Y607-S611 PolarHBondContact O-OG 2.9Å
608	E	95.2	Very high	92.4	Very high	114 Å²	114	58.4 Å²	58.4	53%	0.533	28%	0.276	S	S	.	.	H	α-helix	trans	-65.3	-39.6	174.7	-71.5	-61.5	154.4	0	0	111.7	D604 E605 S611 S612	D604-E608 PolarHBondContact O-N 3.13Å; E605-E608 PolarHBondContact O-N 3.3Å; E608-S611 PolarHBondContact O-N 3.11Å; E608-S612 WeakPolarHBondContact O-CB 3.37Å; E608-S612 PolarHBondContact O-N 2.62Å; E608-S612 PolarHBondContact O-OG 2.87Å
609	E	94.5	Very high	91.4	Very high	55 Å²	55	60.8 Å²	60.8	26%	0.257	29%	0.293	S	S	.	.	H	α-helix	trans	-61.1	-45.2	174.6	-175.6	175.4	179.1	0	0	111.6	K582 E605 L606 S611 S612 G613	K582-E609 WeakPolarHBondContact CD-OE2 3.43Å; K582-E609 IonicContact NZ-OE1 2.7Å; K582-E609 PolarHBondContact NZ-OE1 3.24Å; K582-E609 IonicContact NZ-OE2 2.62Å; K582-E609 PolarHBondContact NZ-OE2 3.45Å; E605-E609 WeakPolarHBondContact O-CB 3.38Å; E605-E609 PolarHBondContact O-N 3.44Å; L606-E609 PolarHBondContact O-N 2.88Å; E609-S611 PolarHBondContact O-N 2.87Å; E609-S612 WeakPolarHBondContact CA-OG 3.18Å; E609-S612 PolarHBondContact O-N 3.42Å; E609-S612 PolarHBondContact O-OG 3.49Å; E609-G613 PolarHBondContact O-N 3.15Å
610	I	93.9	Very high	90.1	Very high	0 Å²	0	67.1 Å²	67.1	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-56.2	-51.9	174.2	-69.5	161.8	0	0	0	109.8	N545 F549 Q552 T579 I583 L606 Y607 S612 G613 F614	N545-I610 HydrophobicContact CB-CD1 4.2Å; F549-I610 HydrophobicContact CB-CD1 4.41Å; F549-I610 HydrophobicContact CB-CG2 4.3Å; F549-I610 HydrophobicContact CD2-CG2 4.38Å; Q552-I610 PolarHBondContact OE1-O 3.35Å; T579-I610 HydrophobicContact CG2-CB 4.45Å; T579-I610 HydrophobicContact CG2-CG1 3.47Å; T579-I610 VanDerWaalsContact CG2-CG1 3.47Å; I583-I610 HydrophobicContact CD1-CD1 4.02Å; I583-I610 HydrophobicContact CD1-CG1 4.41Å; I583-I610 HydrophobicContact CG1-CD1 4.3Å; L606-I610 HydrophobicContact CD1-CG1 4.5Å; L606-I610 HydrophobicContact CG-CD1 4.19Å; L606-I610 WeakPolarHBondContact O-CD1 3.3Å; L606-I610 VanDerWaalsContact O-CG1 3.23Å; L606-I610 WeakPolarHBondContact O-CG1 3.34Å; L606-I610 PolarHBondContact O-N 3.46Å; Y607-I610 PolarHBondContact O-N 3.12Å; I610-S612 VanDerWaalsContact C-N 3.34Å; I610-S612 PolarHBondContact O-N 3.13Å; I610-G613 PolarHBondContact O-N 2.92Å; I610-G613 VanDerWaalsContact O-N 3.14Å; I610-F614 HydrophobicContact CG2-CD2 3.92Å; I610-F614 HydrophobicContact CG2-CE2 3.92Å; I610-F614 WeakPolarHBondContact O-CD2 3.45Å; I610-F614 PolarHBondContact O-N 2.67Å
611	S	93.6	Very high	89.8	Confident	19 Å²	19	67.6 Å²	67.6	13%	0.133	33%	0.327	C	S	.	.	H	α-helix	trans	-64.3	-34.6	-178.8	-55.9	0	0	0	0	113.4	Q552 Y607 E608 E609 R615	Q552-S611 PolarHBondContact NE2-OG 3.02Å; Q552-S611 VanDerWaalsContact OE1-CA 3.3Å; Y607-S611 PolarHBondContact O-N 2.94Å; Y607-S611 PolarHBondContact O-OG 2.9Å; E608-S611 PolarHBondContact O-N 3.11Å; E609-S611 PolarHBondContact O-N 2.87Å; S611-R615 WeakPolarHBondContact O-CG 3.43Å; S611-R615 PolarHBondContact O-N 3.23Å; S611-R615 PolarHBondContact O-NE 2.88Å
612	S	92.8	Very high	89.6	Confident	42 Å²	42	63.3 Å²	63.3	29%	0.294	31%	0.314	S	S	.	.	H	α-helix	trans	-71.9	-37.6	173.4	73.3	0	0	0	0	112.2	E608 E609 I610 R615 N616	E608-S612 WeakPolarHBondContact O-CB 3.37Å; E608-S612 PolarHBondContact O-N 2.62Å; E608-S612 PolarHBondContact O-OG 2.87Å; E609-S612 WeakPolarHBondContact CA-OG 3.18Å; E609-S612 PolarHBondContact O-N 3.42Å; E609-S612 PolarHBondContact O-OG 3.49Å; I610-S612 VanDerWaalsContact C-N 3.34Å; I610-S612 PolarHBondContact O-N 3.13Å; S612-R615 PolarHBondContact O-N 3.14Å; S612-N616 VanDerWaalsContact O-CG 3.24Å; S612-N616 PolarHBondContact O-N 3.19Å; S612-N616 PolarHBondContact O-ND2 3.07Å
613	G	91.7	Very high	89.3	Confident	13 Å²	13	64.7 Å²	64.7	13%	0.134	32%	0.32	C	S	.	.	H	α-helix	trans	-66.4	-41.5	-179.7	0	0	0	0	0	112.6	E609 I610 N616 L617	E609-G613 PolarHBondContact O-N 3.15Å; I610-G613 PolarHBondContact O-N 2.92Å; I610-G613 VanDerWaalsContact O-N 3.14Å; G613-N616 PolarHBondContact O-N 2.77Å; G613-L617 WeakPolarHBondContact O-CB 3.18Å; G613-L617 PolarHBondContact O-N 2.93Å; G613-L617 VanDerWaalsContact O-N 3.11Å
614	F	91.3	Very high	88.9	Confident	6 Å²	6	68.2 Å²	68.2	3%	0.026	34%	0.338	C	S	.	.	H	α-helix	trans	-70.1	-36.5	175	-78.8	-73	0	0	0	113.1	F549 Q552 A553 A556 I572 M576 I610 L617 E618	F549-F614 AromaticContact CD2-CE2 3.66Å; F549-F614 HydrophobicContact CD2-CE2 3.66Å; F549-F614 AromaticContact CD2-CZ 3.92Å; F549-F614 HydrophobicContact CD2-CZ 3.92Å; F549-F614 AromaticContact CE2-CE2 3.89Å; F549-F614 HydrophobicContact CE2-CE2 3.89Å; F549-F614 AromaticContact CE2-CZ 3.75Å; F549-F614 HydrophobicContact CE2-CZ 3.75Å; F549-F614 HydrophobicContact CG-CE2 4.43Å; F549-F614 HydrophobicContact CZ-CZ 4.33Å; Q552-F614 HydrophobicContact CB-CB 4.3Å; Q552-F614 HydrophobicContact CB-CD1 4.31Å; Q552-F614 HydrophobicContact CB-CD2 3.44Å; Q552-F614 VanDerWaalsContact CB-CD2 3.44Å; Q552-F614 HydrophobicContact CB-CE2 3.73Å; Q552-F614 HydrophobicContact CB-CG 3.76Å; Q552-F614 HydrophobicContact CB-CZ 4.31Å; Q552-F614 HydrophobicContact CG-CD2 4.35Å; A553-F614 VanDerWaalsContact CA-CE1 3.47Å; A553-F614 HydrophobicContact CB-CE1 3.95Å; A553-F614 HydrophobicContact CB-CZ 3.69Å; A556-F614 HydrophobicContact CB-CD1 4.21Å; I572-F614 HydrophobicContact CD1-CE1 4.27Å; I572-F614 HydrophobicContact CG1-CE1 4.43Å; I572-F614 HydrophobicContact CG2-CE1 4.05Å; I572-F614 HydrophobicContact CG2-CZ 4.17Å; M576-F614 HydrophobicContact CE-CD2 3.93Å; M576-F614 HydrophobicContact CE-CE2 3.92Å; M576-F614 HydrophobicContact CE-CZ 4.49Å; I610-F614 HydrophobicContact CG2-CD2 3.92Å; I610-F614 HydrophobicContact CG2-CE2 3.92Å; I610-F614 WeakPolarHBondContact O-CD2 3.45Å; I610-F614 PolarHBondContact O-N 2.67Å; F614-L617 WeakPolarHBondContact O-CB 3.29Å; F614-L617 PolarHBondContact O-N 3.47Å; F614-L617 VanDerWaalsContact O-N 3.12Å; F614-E618 PolarHBondContact O-N 2.8Å
615	R	89.1	Confident	88.5	Confident	139 Å²	139	67 Å²	67	53%	0.525	33%	0.33	S	S	.	.	H	α-helix	trans	-59.3	-47.1	171.6	-78.2	-178.7	-74.3	-177.9	-3.6	112.2	S611 S612 L617 E618 D619	S611-R615 WeakPolarHBondContact O-CG 3.43Å; S611-R615 PolarHBondContact O-N 3.23Å; S611-R615 PolarHBondContact O-NE 2.88Å; S612-R615 PolarHBondContact O-N 3.14Å; R615-L617 PolarHBondContact O-N 3.38Å; R615-E618 PolarHBondContact O-N 3.47Å; R615-D619 PolarHBondContact O-N 2.85Å
616	N	87.4	Confident	88	Confident	99 Å²	99	63 Å²	63	53%	0.529	31%	0.313	S	S	.	.	H	α-helix	trans	-62.8	-28.5	176.5	-67.1	-24.4	0	0	0	112.4	S612 G613 L620	S612-N616 VanDerWaalsContact O-CG 3.24Å; S612-N616 PolarHBondContact O-N 3.19Å; S612-N616 PolarHBondContact O-ND2 3.07Å; G613-N616 PolarHBondContact O-N 2.77Å; N616-L620 WeakPolarHBondContact O-CG 3.47Å; N616-L620 PolarHBondContact O-N 2.8Å
617	L	84.8	Confident	87.5	Confident	2 Å²	2	66.7 Å²	66.7	1%	0.01	33%	0.331	C	S	.	.	H	α-helix	trans	-77.3	-30.2	179	-163.8	141.2	0	0	0	112.6	V567 I572 A575 G613 F614 R615 D619	V567-L617 HydrophobicContact CB-CD2 4.16Å; V567-L617 HydrophobicContact CG1-CD2 3.47Å; V567-L617 VanDerWaalsContact CG1-CD2 3.47Å; V567-L617 HydrophobicContact CG2-CD2 3.54Å; I572-L617 HydrophobicContact CG1-CD1 4.18Å; I572-L617 HydrophobicContact CG1-CD2 4.41Å; A575-L617 HydrophobicContact CB-CD1 3.73Å; G613-L617 WeakPolarHBondContact O-CB 3.18Å; G613-L617 PolarHBondContact O-N 2.93Å; G613-L617 VanDerWaalsContact O-N 3.11Å; F614-L617 WeakPolarHBondContact O-CB 3.29Å; F614-L617 PolarHBondContact O-N 3.47Å; F614-L617 VanDerWaalsContact O-N 3.12Å; R615-L617 PolarHBondContact O-N 3.38Å; L617-D619 VanDerWaalsContact C-N 3.32Å
618	E	76.2	Confident	86.9	Confident	99 Å²	99	66 Å²	66	46%	0.463	33%	0.333	S	S	.	.	H	α-helix	trans	-71	-27.6	170.5	-70.6	178	176.6	0	0	112.5	F614 R615	F614-E618 PolarHBondContact O-N 2.8Å; R615-E618 PolarHBondContact O-N 3.47Å
619	D	73.3	Confident	86.2	Confident	138 Å²	138	62 Å²	62	74%	0.738	32%	0.317	S	S	*	.			trans	-79.2	-14.5	177	-73.1	-29.3	0	0	0	113.9	R615 L617	R615-D619 PolarHBondContact O-N 2.85Å; L617-D619 VanDerWaalsContact C-N 3.32Å
620	L	65.8	Low	85.5	Confident	132 Å²	132	62.6 Å²	62.6	69%	0.691	32%	0.322	S	S	*	.			trans	-83	0	177.7	-74.2	170.1	0	0	0	111.9	R565 N616	R565-L620 PolarHBondContact NH1-O 3.01Å; N616-L620 WeakPolarHBondContact O-CG 3.47Å; N616-L620 PolarHBondContact O-N 2.8Å

Retrieved 620 of 620 residues in 211.5 ms (Link to these results)

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