A0A5K4F1D4_SCHMA Loading...

NAD(+) kinase

AlphaFold DB , UniProt , Accession A0A5K4F1D4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 443 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	34.6	Very low	34.6	Very low	223 Å²	223	116.7 Å²	116.7	100%	1.099	62%	0.624	S	S	*	*				0	-24.9	0	-92.4	179.2	-175.2	0	0	114.8
2	F	31.1	Very low	34.9	Very low	196 Å²	196	117.3 Å²	117.3	86%	0.86	63%	0.627	S	S	*	*			trans	-90.2	6.5	-173.5	-81.7	-78.7	0	0	0	117.4
3	L	33.1	Very low	35.1	Very low	149 Å²	149	115.4 Å²	115.4	78%	0.78	62%	0.622	S	S	*	*	S	Bend	trans	-87.7	-34.9	-173	-127.6	78	0	0	0	114.7	S6	L3-S6 PolarHBondContact O-N 3.12Å; L3-S6 PolarHBondContact O-OG 2.86Å
4	C	32.6	Very low	35	Very low	78 Å²	78	119.3 Å²	119.3	53%	0.527	62%	0.623	S	S	.	*	H	α-helix	trans	-72.1	-39.4	-174.4	-79.3	0	0	0	0	114	S6 L7	C4-S6 PolarHBondContact O-N 2.79Å; C4-S6 VanDerWaalsContact O-N 3.15Å; C4-L7 PolarHBondContact O-N 3.24Å
5	C	32.9	Very low	35.1	Very low	89 Å²	89	118.5 Å²	118.5	60%	0.601	61%	0.61	S	S	*	*	H	α-helix	trans	-67.7	-16.4	-179.7	-58.4	0	0	0	0	113.5
6	S	37.4	Very low	35.2	Very low	48 Å²	48	119.1 Å²	119.1	34%	0.336	61%	0.614	S	S	.	*	H	α-helix	trans	-75.8	-28.9	177.8	86.3	0	0	0	0	112.6	L3 C4 A8 R9 I10	L3-S6 PolarHBondContact O-N 3.12Å; L3-S6 PolarHBondContact O-OG 2.86Å; C4-S6 PolarHBondContact O-N 2.79Å; C4-S6 VanDerWaalsContact O-N 3.15Å; S6-A8 PolarHBondContact O-N 3.36Å; S6-R9 PolarHBondContact O-N 2.92Å; S6-I10 WeakPolarHBondContact O-CB 3.24Å; S6-I10 WeakPolarHBondContact O-CD1 3.5Å; S6-I10 WeakPolarHBondContact O-CG1 3.36Å; S6-I10 PolarHBondContact O-N 2.95Å
7	L	36.1	Very low	35.2	Very low	121 Å²	121	117.2 Å²	117.2	63%	0.634	61%	0.609	S	S	*	*	H	α-helix	trans	-68	-38.3	-176.5	-77.4	162.5	0	0	0	112	C4 A11	C4-L7 PolarHBondContact O-N 3.24Å; L7-A11 WeakPolarHBondContact O-CB 3.38Å; L7-A11 PolarHBondContact O-N 3.15Å
8	A	39	Very low	35	Very low	67 Å²	67	115.8 Å²	115.8	55%	0.554	60%	0.602	S	S	*	*	H	α-helix	trans	-65.3	-43.4	176	0	0	0	0	0	112.1	S6	S6-A8 PolarHBondContact O-N 3.36Å
9	R	31.3	Very low	35.2	Very low	204 Å²	204	112.4 Å²	112.4	77%	0.77	59%	0.585	S	S	*	*	H	α-helix	trans	-74.2	-32.7	178.3	-68.7	-170.2	-177.9	-169	1.5	113.7	S6	S6-R9 PolarHBondContact O-N 2.92Å
10	I	35.7	Very low	35.2	Very low	63 Å²	63	109.1 Å²	109.1	32%	0.323	57%	0.571	S	S	.	*	H	α-helix	trans	-73.9	-30.5	176.5	-68.6	166.6	0	0	0	110.7	S6 D12 V13 R14	S6-I10 WeakPolarHBondContact O-CB 3.24Å; S6-I10 WeakPolarHBondContact O-CD1 3.5Å; S6-I10 WeakPolarHBondContact O-CG1 3.36Å; S6-I10 PolarHBondContact O-N 2.95Å; I10-D12 VanDerWaalsContact C-N 3.32Å; I10-D12 PolarHBondContact O-N 3.49Å; I10-V13 PolarHBondContact O-N 3.04Å; I10-R14 HydrophobicContact CG2-CG 4.08Å; I10-R14 WeakPolarHBondContact O-CB 3.34Å; I10-R14 PolarHBondContact O-N 2.82Å
11	A	37.4	Very low	35.2	Very low	46 Å²	46	114.3 Å²	114.3	38%	0.38	58%	0.583	S	S	.	*	H	α-helix	trans	-65.5	-32.7	176	0	0	0	0	0	112.9	L7 Y15	L7-A11 WeakPolarHBondContact O-CB 3.38Å; L7-A11 PolarHBondContact O-N 3.15Å; A11-Y15 WeakPolarHBondContact O-CB 3.24Å; A11-Y15 PolarHBondContact O-N 3.03Å
12	D	38.2	Very low	35.5	Very low	123 Å²	123	107.9 Å²	107.9	66%	0.658	56%	0.56	S	S	*	*	H	α-helix	trans	-66.4	-44.2	174.6	-97.1	-22.9	0	0	0	112.2	I10 L16	I10-D12 VanDerWaalsContact C-N 3.32Å; I10-D12 PolarHBondContact O-N 3.49Å; D12-L16 PolarHBondContact O-N 3.38Å
13	V	37.4	Very low	36.1	Very low	93 Å²	93	102.3 Å²	102.3	56%	0.564	55%	0.545	S	S	*	.	H	α-helix	trans	-77.9	-36.6	-175.9	-176.1	0	0	0	0	112.5	I10 Y15 T17	I10-V13 PolarHBondContact O-N 3.04Å; V13-Y15 VanDerWaalsContact C-N 3.3Å; V13-Y15 PolarHBondContact O-N 3.21Å; V13-T17 PolarHBondContact O-OG1 3Å
14	R	33.4	Very low	36.2	Very low	170 Å²	170	101.6 Å²	101.6	64%	0.642	55%	0.548	S	S	*	.	H	α-helix	trans	-75.3	-15.6	177.8	-71.1	-174.3	-175.4	172.5	3	113.6	I10 T17 N18	I10-R14 HydrophobicContact CG2-CG 4.08Å; I10-R14 WeakPolarHBondContact O-CB 3.34Å; I10-R14 PolarHBondContact O-N 2.82Å; R14-T17 VanDerWaalsContact C-OG1 3.3Å; R14-T17 WeakPolarHBondContact CA-OG1 3.46Å; R14-T17 PolarHBondContact O-OG1 2.91Å; R14-N18 PolarHBondContact O-N 3.19Å; R14-N18 PolarHBondContact O-ND2 3.36Å
15	Y	37.2	Very low	36.5	Very low	108 Å²	108	101.3 Å²	101.3	42%	0.424	54%	0.543	S	S	.	.	H	α-helix	trans	-91.5	-31.5	175.9	-157.1	-101.9	0	0	0	112.8	A11 V13 T17 N18 L19	A11-Y15 WeakPolarHBondContact O-CB 3.24Å; A11-Y15 PolarHBondContact O-N 3.03Å; V13-Y15 VanDerWaalsContact C-N 3.3Å; V13-Y15 PolarHBondContact O-N 3.21Å; Y15-T17 PolarHBondContact O-N 3.41Å; Y15-T17 VanDerWaalsContact O-N 3.08Å; Y15-N18 HydrophobicContact CD2-CB 4.27Å; Y15-N18 PolarHBondContact O-N 3.44Å; Y15-L19 HydrophobicContact CD1-CD1 3.5Å; Y15-L19 VanDerWaalsContact CD1-CD1 3.5Å; Y15-L19 HydrophobicContact CD1-CG 4.14Å; Y15-L19 HydrophobicContact CE1-CD1 3.59Å; Y15-L19 HydrophobicContact CE1-CG 3.8Å; Y15-L19 PolarHBondContact O-N 2.61Å
16	L	36.5	Very low	36.6	Very low	128 Å²	128	100.3 Å²	100.3	67%	0.67	54%	0.537	S	S	*	.	H	α-helix	trans	-54.4	-27.5	166.5	-73.8	171.6	0	0	0	112.4	D12	D12-L16 PolarHBondContact O-N 3.38Å
17	T	35.3	Very low	36.7	Very low	86 Å²	86	102.9 Å²	102.9	53%	0.528	56%	0.555	S	S	.	*	T	Hydrogen-bonded Turn	trans	-87	-24.1	174.9	32.6	0	0	0	0	114.6	V13 R14 Y15	V13-T17 PolarHBondContact O-OG1 3Å; R14-T17 VanDerWaalsContact C-OG1 3.3Å; R14-T17 WeakPolarHBondContact CA-OG1 3.46Å; R14-T17 PolarHBondContact O-OG1 2.91Å; Y15-T17 PolarHBondContact O-N 3.41Å; Y15-T17 VanDerWaalsContact O-N 3.08Å
18	N	31.5	Very low	37	Very low	93 Å²	93	105.9 Å²	105.9	50%	0.497	57%	0.566	S	S	.	*	T	Hydrogen-bonded Turn	trans	-92.6	-15.3	-179.4	-80.4	-42.8	0	0	0	114.2	R14 Y15 C20	R14-N18 PolarHBondContact O-N 3.19Å; R14-N18 PolarHBondContact O-ND2 3.36Å; Y15-N18 HydrophobicContact CD2-CB 4.27Å; Y15-N18 PolarHBondContact O-N 3.44Å; N18-C20 PolarHBondContact O-N 2.99Å
19	L	37.7	Very low	37.6	Very low	50 Å²	50	109.6 Å²	109.6	26%	0.262	57%	0.572	S	S	.	*	T	Hydrogen-bonded Turn	trans	-61.1	-19.1	166.2	-92.4	135.3	0	0	0	112.5	Y15 R21 N363	Y15-L19 HydrophobicContact CD1-CD1 3.5Å; Y15-L19 VanDerWaalsContact CD1-CD1 3.5Å; Y15-L19 HydrophobicContact CD1-CG 4.14Å; Y15-L19 HydrophobicContact CE1-CD1 3.59Å; Y15-L19 HydrophobicContact CE1-CG 3.8Å; Y15-L19 PolarHBondContact O-N 2.61Å; L19-R21 VanDerWaalsContact C-N 3.32Å; L19-R21 PolarHBondContact O-N 3.16Å; L19-N363 HydrophobicContact CD2-CB 4.08Å
20	C	36.4	Very low	38.8	Very low	46 Å²	46	104 Å²	104	31%	0.311	56%	0.556	S	S	.	*	T	Hydrogen-bonded Turn	trans	-84.2	19.7	-176.6	-63.5	0	0	0	0	115.6	N18 S22 Q180	N18-C20 PolarHBondContact O-N 2.99Å; C20-S22 PolarHBondContact O-N 3Å; C20-Q180 PolarHBondContact SG-OE1 3.28Å
21	R	34.3	Very low	40.1	Very low	219 Å²	219	102.4 Å²	102.4	83%	0.826	55%	0.55	S	S	*	*			trans	-80.4	80.5	169.4	-79.1	-170	179.3	-173.5	0.5	110.2	L19 S23	L19-R21 VanDerWaalsContact C-N 3.32Å; L19-R21 PolarHBondContact O-N 3.16Å; R21-S23 PolarHBondContact O-N 3.42Å
22	S	42.1	Very low	42.1	Very low	89 Å²	89	106.9 Å²	106.9	62%	0.622	57%	0.567	S	S	*	*			trans	-23.8	119.3	166	160.4	0	0	0	0	114	C20	C20-S22 PolarHBondContact O-N 3Å
23	S	42.3	Very low	44.7	Very low	78 Å²	78	101.5 Å²	101.5	55%	0.545	54%	0.537	S	S	.	.			trans	-60	129.8	140.6	48.8	0	0	0	0	108	R21 V25	R21-S23 PolarHBondContact O-N 3.42Å; S23-V25 VanDerWaalsContact C-N 3.29Å; S23-V25 PolarHBondContact O-N 2.84Å
24	T	35.4	Very low	47.4	Very low	135 Å²	135	104.4 Å²	104.4	83%	0.828	54%	0.542	S	S	*	.			trans	-73.6	80.9	179.3	46.2	0	0	0	0	109.6
25	V	38.9	Very low	50.4	Low	72 Å²	72	97.1 Å²	97.1	44%	0.436	52%	0.517	S	S	.	.			trans	-74.4	123.6	157.4	-177.4	0	0	0	0	105.9	S23 S27 Q29	S23-V25 VanDerWaalsContact C-N 3.29Å; S23-V25 PolarHBondContact O-N 2.84Å; V25-S27 PolarHBondContact O-N 3.32Å; V25-Q29 HydrophobicContact CG1-CB 4.42Å
26	S	34.6	Very low	53.3	Low	67 Å²	67	99.8 Å²	99.8	47%	0.469	53%	0.531	S	S	.	.			trans	-53	136.6	179.4	51.4	0	0	0	0	110.3	E28 Q29	S26-E28 PolarHBondContact O-N 2.96Å; S26-Q29 PolarHBondContact O-N 3.45Å; S26-Q29 VanDerWaalsContact O-N 3.16Å
27	S	40.5	Very low	56.3	Low	102 Å²	102	94.6 Å²	94.6	71%	0.713	51%	0.505	S	S	*	.	G	3₁₀ helix	trans	-56.5	-15.6	-177.5	55.4	0	0	0	0	114.3	V25 Q29	V25-S27 PolarHBondContact O-N 3.32Å; S27-Q29 VanDerWaalsContact C-N 3.31Å; S27-Q29 PolarHBondContact O-N 3.18Å
28	E	42.2	Very low	59.3	Low	185 Å²	185	90.5 Å²	90.5	86%	0.864	48%	0.48	S	S	*	.	G	3₁₀ helix	trans	-76.9	-9.5	-179.1	-66	-174.9	166.2	0	0	114.3	S26	S26-E28 PolarHBondContact O-N 2.96Å
29	Q	51	Low	62.5	Low	145 Å²	145	86.1 Å²	86.1	68%	0.678	46%	0.456	S	S	*	.	G	3₁₀ helix	trans	-112	3.7	-178.1	-69.6	-175.1	-16.6	0	0	115.2	V25 S26 S27	V25-Q29 HydrophobicContact CG1-CB 4.42Å; S26-Q29 PolarHBondContact O-N 3.45Å; S26-Q29 VanDerWaalsContact O-N 3.16Å; S27-Q29 VanDerWaalsContact C-N 3.31Å; S27-Q29 PolarHBondContact O-N 3.18Å
30	L	57.7	Low	65.4	Low	85 Å²	85	83.8 Å²	83.8	45%	0.445	44%	0.444	S	S	.	.	S	Bend	trans	-65.8	133.5	-178.9	-68.7	175.3	0	0	0	111.1	I32	L30-I32 PolarHBondContact O-N 3.4Å
31	P	62.1	Low	68.4	Low	30 Å²	30	81.6 Å²	81.6	20%	0.195	43%	0.429	C	S	.	.			trans	-56.7	127.2	176.1	-17.2	25.5	0	0	0	110.1	F33 W181 W183	P31-F33 PolarHBondContact O-N 3.08Å; P31-W181 HydrophobicContact CB-CH2 4.06Å; P31-W181 HydrophobicContact CB-CZ2 3.78Å; P31-W181 HydrophobicContact CG-CH2 4.11Å; P31-W181 HydrophobicContact CG-CZ2 3.86Å; P31-W183 HydrophobicContact CG-CH2 4.28Å; P31-W183 HydrophobicContact CG-CZ2 4.42Å
32	I	79.9	Confident	71.4	Confident	141 Å²	141	71.4 Å²	71.4	72%	0.723	39%	0.392	S	S	*	.			trans	-68.4	98.4	169.8	-60.2	175.5	0	0	0	107.1	L30 K34	L30-I32 PolarHBondContact O-N 3.4Å; I32-K34 HydrophobicContact CG2-CB 4.4Å; I32-K34 HydrophobicContact CG2-CD 4.12Å; I32-K34 HydrophobicContact CG2-CG 4.01Å; I32-K34 PolarHBondContact O-N 2.92Å
33	F	91.4	Very high	74	Confident	9 Å²	9	69.2 Å²	69.2	4%	0.039	37%	0.371	C	S	.	.			trans	-76.7	88.1	177.2	-164.7	-108.4	0	0	0	110.6	P31 P35 V119 P142 I144 L174 L175 K177 F179 W181	P31-F33 PolarHBondContact O-N 3.08Å; F33-P35 HydrophobicContact CE1-CG 4.22Å; F33-P35 HydrophobicContact CE2-CG 4.22Å; F33-P35 HydrophobicContact CZ-CG 3.98Å; F33-V119 HydrophobicContact CE2-CB 4.33Å; F33-V119 HydrophobicContact CE2-CG2 4.12Å; F33-V119 HydrophobicContact CZ-CG2 4.42Å; F33-P142 HydrophobicContact CD2-CG 4.29Å; F33-P142 HydrophobicContact CE2-CB 4.22Å; F33-P142 HydrophobicContact CE2-CG 4.37Å; F33-I144 HydrophobicContact CE2-CD1 4.29Å; F33-I144 HydrophobicContact CZ-CD1 3.87Å; F33-L174 WeakPolarHBondContact CD1-O 3.06Å; F33-L174 HydrophobicContact CE1-CB 4.36Å; F33-L174 WeakPolarHBondContact CE1-O 3.37Å; F33-L175 HydrophobicContact CE1-CD2 4.19Å; F33-K177 WeakPolarHBondContact O-CE 3.44Å; F33-F179 HydrophobicContact CB-CE1 4.48Å; F33-F179 HydrophobicContact CB-CZ 4.01Å; F33-F179 AromaticContact CD1-CE1 3.62Å; F33-F179 HydrophobicContact CD1-CE1 3.62Å; F33-F179 AromaticContact CD1-CZ 3.86Å; F33-F179 HydrophobicContact CD1-CZ 3.86Å; F33-F179 HydrophobicContact CD2-CZ 4.41Å; F33-F179 HydrophobicContact CE1-CE1 4.02Å; F33-F179 HydrophobicContact CE1-CZ 4.43Å; F33-F179 HydrophobicContact CG-CE1 4.1Å; F33-F179 AromaticContact CG-CZ 3.84Å; F33-F179 HydrophobicContact CG-CZ 3.84Å; F33-W181 HydrophobicContact CB-CH2 4.4Å; F33-W181 HydrophobicContact CB-CZ2 4.07Å; F33-W181 AromaticContact CD2-CH2 3.93Å; F33-W181 HydrophobicContact CD2-CH2 3.93Å; F33-W181 HydrophobicContact CD2-CZ2 4.44Å; F33-W181 HydrophobicContact CG-CH2 4.45Å
34	K	94.4	Very high	76.5	Confident	155 Å²	155	67.7 Å²	67.7	67%	0.674	36%	0.357	S	S	*	.			trans	-138	62.6	171.4	-70	-173.9	177.4	-175.8	0	109.6	I32	I32-K34 HydrophobicContact CG2-CB 4.4Å; I32-K34 HydrophobicContact CG2-CD 4.12Å; I32-K34 HydrophobicContact CG2-CG 4.01Å; I32-K34 PolarHBondContact O-N 2.92Å
35	P	97.1	Very high	79.3	Confident	17 Å²	17	61.6 Å²	61.6	11%	0.11	32%	0.319	C	S	.	.			trans	-64.4	140.2	-176.5	28.3	-35.2	0	0	0	111.5	F33 L99 D118 V119 L175	F33-P35 HydrophobicContact CE1-CG 4.22Å; F33-P35 HydrophobicContact CE2-CG 4.22Å; F33-P35 HydrophobicContact CZ-CG 3.98Å; P35-L99 HydrophobicContact CB-CD2 4.15Å; P35-L99 HydrophobicContact CG-CD2 4.07Å; P35-D118 HydrophobicContact CB-CB 3.72Å; P35-V119 HydrophobicContact CB-CB 4.24Å; P35-V119 HydrophobicContact CB-CG1 3.56Å; P35-V119 HydrophobicContact CG-CG1 4.01Å; P35-L175 HydrophobicContact CG-CD2 3.8Å
36	K	98	Very high	81.9	Confident	163 Å²	163	62.2 Å²	62.2	71%	0.709	32%	0.316	S	S	*	.	S	Bend	trans	-107	-32.2	169.7	-62.9	-179.8	-179.1	178	0	111.3	L99 E100 D118	K36-L99 CarbonylContact O-C 3.59Å; K36-L99 WeakPolarHBondContact O-CA 3.45Å; K36-E100 PolarHBondContact O-N 3.03Å; K36-D118 WeakPolarHBondContact CA-OD2 3.28Å; K36-D118 PolarHBondContact N-OD2 3.45Å
37	T	98.6	Very high	84.6	Confident	20 Å²	20	59.5 Å²	59.5	12%	0.123	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	136.6	176.3	55.1	0	0	0	0	110.7	E100 W116 A117 D118 V119	T37-E100 CarbonylContact C-O 3.52Å; T37-E100 WeakPolarHBondContact CA-O 3.46Å; T37-E100 HydrophobicContact CG2-CB 4.24Å; T37-W116 HydrophobicContact CG2-CH2 4.27Å; T37-W116 HydrophobicContact CG2-CZ2 3.83Å; T37-W116 PolarHBondContact OG1-O 3.41Å; T37-W116 VanDerWaalsContact OG1-O 3.11Å; T37-A117 VanDerWaalsContact OG1-CA 3.31Å; T37-A117 WeakPolarHBondContact OG1-CA 3.29Å; T37-D118 PolarHBondContact N-OD2 3.36Å; T37-D118 VanDerWaalsContact N-OD2 3.1Å; T37-D118 PolarHBondContact O-N 3.46Å; T37-D118 PolarHBondContact OG1-N 3.48Å; T37-D118 PolarHBondContact OG1-OD2 2.99Å; T37-V119 PolarHBondContact O-N 2.99Å
38	A	98.7	Very high	87.1	Confident	0 Å²	0	56 Å²	56	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	127	175.8	0	0	0	0	0	110.7	L94 L99 E100 V101 H102 V119 F121	A38-L94 HydrophobicContact CB-CD1 4.31Å; A38-L99 HydrophobicContact CB-CD2 3.9Å; A38-E100 PolarHBondContact N-O 3.32Å; A38-V101 HydrophobicContact CB-CG2 4.44Å; A38-V101 WeakPolarHBondContact O-CA 3.04Å; A38-H102 PolarHBondContact O-N 3.24Å; A38-V119 WeakPolarHBondContact CA-O 3.36Å; A38-V119 HydrophobicContact CB-CG1 3.91Å; A38-F121 HydrophobicContact CB-CD2 4.21Å; A38-F121 HydrophobicContact CB-CE2 4.26Å
39	L	98.8	Very high	89.4	Confident	1 Å²	1	48.9 Å²	48.9	1%	0.005	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	128.6	168.9	-177.1	73.9	0	0	0	108.7	H102 V104 Y109 V114 W116 A117 V119 V120 F121	L39-H102 CarbonylContact C-O 3.46Å; L39-H102 HydrophobicContact CD1-CB 4.1Å; L39-V104 HydrophobicContact CD1-CB 4.47Å; L39-V104 HydrophobicContact CD1-CG1 3.93Å; L39-V104 HydrophobicContact CD1-CG2 3.75Å; L39-V104 HydrophobicContact CD2-CG2 4.25Å; L39-V104 HydrophobicContact CG-CG2 4.11Å; L39-Y109 HydrophobicContact CD2-CD2 4.01Å; L39-Y109 HydrophobicContact CD2-CE2 3.63Å; L39-V114 HydrophobicContact CD2-CG2 4.49Å; L39-W116 HydrophobicContact CB-CE3 4.48Å; L39-W116 HydrophobicContact CB-CZ3 4.32Å; L39-A117 HydrophobicContact CB-CB 3.52Å; L39-V119 PolarHBondContact N-O 3.49Å; L39-V120 CarbonylContact O-C 3.6Å; L39-V120 WeakPolarHBondContact O-CA 3.49Å; L39-F121 PolarHBondContact O-N 3.28Å
40	I	98.8	Very high	91.3	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	111.7	170.4	-50.5	177.2	0	0	0	108.6	A42 L87 L90 K91 L94 V101 H102 I103 V104 F121 A123	I40-A42 PolarHBondContact O-N 3.42Å; I40-L87 HydrophobicContact CG2-CD1 3.66Å; I40-L90 HydrophobicContact CD1-CD2 4.24Å; I40-L90 HydrophobicContact CD1-CG 4.15Å; I40-L90 HydrophobicContact CG2-CD2 4.28Å; I40-K91 HydrophobicContact CD1-CB 4.18Å; I40-L94 HydrophobicContact CD1-CD1 3.97Å; I40-L94 HydrophobicContact CG1-CD1 4.33Å; I40-V101 HydrophobicContact CD1-CG1 3.57Å; I40-V101 HydrophobicContact CG1-CG1 3.89Å; I40-H102 PolarHBondContact N-O 3.28Å; I40-I103 HydrophobicContact CB-CG1 4.19Å; I40-I103 HydrophobicContact CD1-CG1 4.28Å; I40-I103 WeakPolarHBondContact O-CA 3.45Å; I40-V104 PolarHBondContact O-N 2.9Å; I40-F121 CarbonylContact C-O 3.57Å; I40-F121 WeakPolarHBondContact CA-O 3.41Å; I40-F121 HydrophobicContact CG1-CB 4.17Å; I40-F121 HydrophobicContact CG2-CB 4.44Å; I40-A123 HydrophobicContact CG2-CB 3.78Å
41	L	98.6	Very high	92.7	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	104.4	165.3	173.6	58.7	0	0	0	109.1	V104 Y109 F121 T122 A123 T128 L131	L41-V104 CarbonylContact C-O 3.58Å; L41-V104 WeakPolarHBondContact CA-O 3.36Å; L41-V104 HydrophobicContact CD1-CG2 4.43Å; L41-Y109 HydrophobicContact CB-CD2 4.17Å; L41-Y109 HydrophobicContact CB-CE2 4.21Å; L41-Y109 HydrophobicContact CD1-CD2 3.95Å; L41-Y109 HydrophobicContact CD1-CG 3.89Å; L41-Y109 HydrophobicContact CD2-CD1 4.13Å; L41-Y109 HydrophobicContact CD2-CD2 4.18Å; L41-Y109 HydrophobicContact CD2-CE1 4.18Å; L41-Y109 HydrophobicContact CD2-CE2 4.21Å; L41-Y109 HydrophobicContact CD2-CG 4.14Å; L41-Y109 HydrophobicContact CG-CD2 4.32Å; L41-Y109 HydrophobicContact CG-CG 4.5Å; L41-F121 PolarHBondContact N-O 2.82Å; L41-T122 HydrophobicContact CB-CG2 4.35Å; L41-T122 HydrophobicContact CD2-CG2 4.4Å; L41-T122 CarbonylContact O-C 3.48Å; L41-T122 WeakPolarHBondContact O-CA 3.35Å; L41-A123 PolarHBondContact O-N 2.84Å; L41-T128 HydrophobicContact CD2-CG2 4.28Å; L41-T128 HydrophobicContact CG-CG2 4.01Å; L41-L131 HydrophobicContact CD1-CD2 4.32Å; L41-L131 HydrophobicContact CD2-CB 4.04Å; L41-L131 HydrophobicContact CD2-CD2 4.07Å; L41-L131 HydrophobicContact CD2-CG 3.82Å
42	A	98.4	Very high	93.8	Very high	6 Å²	6	45.6 Å²	45.6	5%	0.05	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	138.2	175.3	0	0	0	0	0	111.1	I40 L87 I103 V104	I40-A42 PolarHBondContact O-N 3.42Å; A42-L87 HydrophobicContact CB-CD1 4.08Å; A42-L87 HydrophobicContact CB-CD2 3.72Å; A42-I103 HydrophobicContact CB-CG2 3.88Å; A42-V104 PolarHBondContact N-O 3.5Å
43	K	96.4	Very high	93.7	Very high	43 Å²	43	43.8 Å²	43.8	19%	0.187	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-67.6	151.6	168.4	85.5	-179.8	-171.1	-176.5	0	109.6	H83 A123 T128	K43-H83 PolarHBondContact O-NE2 2.91Å; K43-A123 PolarHBondContact N-O 3.21Å; K43-T128 HydrophobicContact CB-CG2 4.14Å; K43-T128 VanDerWaalsContact CB-OG1 3.25Å; K43-T128 WeakPolarHBondContact CB-OG1 3.48Å
44	L	94.9	Very high	92.7	Very high	46 Å²	46	46.5 Å²	46.5	24%	0.241	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-83	130.1	157.9	-65.1	177.4	0	0	0	108.9	D48 D105 R106 H107	L44-D48 HydrophobicContact CB-CB 4.38Å; L44-D48 HydrophobicContact CD2-CB 4.38Å; L44-D105 HydrophobicContact CD2-CB 3.85Å; L44-D105 HydrophobicContact CG-CB 4.14Å; L44-R106 HydrophobicContact CD1-CG 3.93Å; L44-H107 WeakPolarHBondContact CD1-CE1 3.49Å
45	S	94.7	Very high	91.5	Very high	6 Å²	6	46.1 Å²	46.1	4%	0.042	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-70.1	157.3	173.2	76.9	0	0	0	0	110	Y47 D48 C49 H80	S45-Y47 PolarHBondContact O-N 3.03Å; S45-Y47 PolarHBondContact OG-N 3.24Å; S45-D48 WeakPolarHBondContact CA-OD2 3.47Å; S45-D48 WeakPolarHBondContact CB-OD2 3.36Å; S45-D48 PolarHBondContact N-OD2 2.96Å; S45-D48 WeakPolarHBondContact O-CB 3.45Å; S45-D48 PolarHBondContact O-N 3.49Å; S45-D48 PolarHBondContact OG-N 2.85Å; S45-D48 VanDerWaalsContact OG-N 3.07Å; S45-D48 PolarHBondContact OG-OD2 3.38Å; S45-C49 PolarHBondContact O-N 3.48Å; S45-C49 VanDerWaalsContact O-N 3.08Å; S45-C49 PolarHBondContact O-SG 3.48Å; S45-H80 PolarHBondContact OG-ND1 2.9Å
46	K	92	Very high	90.1	Very high	86 Å²	86	49.1 Å²	49.1	37%	0.374	25%	0.251	S	S	.	.	H	α-helix	trans	-55.8	-36.4	172.9	179	56.4	163.8	158.3	0	110.8	C49 E50 L76	K46-C49 WeakPolarHBondContact O-CB 3.45Å; K46-C49 PolarHBondContact O-N 3.37Å; K46-E50 WeakPolarHBondContact CE-OE1 3.1Å; K46-E50 IonicContact NZ-OE1 2.93Å; K46-E50 PolarHBondContact NZ-OE1 3.1Å; K46-E50 WeakPolarHBondContact O-CG 3.22Å; K46-E50 PolarHBondContact O-N 3.32Å; K46-L76 HydrophobicContact CB-CD2 3.99Å; K46-L76 HydrophobicContact CG-CD1 3.98Å; K46-L76 HydrophobicContact CG-CD2 3.76Å
47	Y	93.1	Very high	88.7	Confident	10 Å²	10	48.9 Å²	48.9	4%	0.039	26%	0.257	C	S	.	.	H	α-helix	trans	-66	-36.5	176.5	-170.2	-121.2	0	0	0	113.1	S45 C49 E50 K51 L62 I66 V77 H80	S45-Y47 PolarHBondContact O-N 3.03Å; S45-Y47 PolarHBondContact OG-N 3.24Å; Y47-C49 VanDerWaalsContact C-N 3.34Å; Y47-E50 PolarHBondContact O-N 3.31Å; Y47-K51 HydrophobicContact CD1-CD 4.37Å; Y47-K51 HydrophobicContact CE1-CD 3.99Å; Y47-K51 PolarHBondContact O-N 3.23Å; Y47-K51 WeakPolarHBondContact OH-CE 3.29Å; Y47-L62 HydrophobicContact CE2-CD2 3.8Å; Y47-I66 HydrophobicContact CD2-CD1 4.24Å; Y47-I66 HydrophobicContact CE2-CD1 4.32Å; Y47-V77 HydrophobicContact CD1-CG2 4.37Å; Y47-V77 HydrophobicContact CD2-CG2 4.07Å; Y47-V77 HydrophobicContact CE1-CG2 4.01Å; Y47-V77 HydrophobicContact CE2-CG2 3.73Å; Y47-V77 HydrophobicContact CG-CG2 4.39Å; Y47-H80 HydrophobicContact CD1-CB 4.09Å; Y47-H80 AromaticContact CD1-CG 3.82Å; Y47-H80 HydrophobicContact CG-CB 4.41Å
48	D	92.7	Very high	88.1	Confident	27 Å²	27	51.7 Å²	51.7	14%	0.144	27%	0.271	C	S	.	.	H	α-helix	trans	-62.6	-44	172.4	-58.6	-48.8	0	0	0	110.8	L44 S45 E50 K51 S52 H80 Y84	L44-D48 HydrophobicContact CB-CB 4.38Å; L44-D48 HydrophobicContact CD2-CB 4.38Å; S45-D48 WeakPolarHBondContact CA-OD2 3.47Å; S45-D48 WeakPolarHBondContact CB-OD2 3.36Å; S45-D48 PolarHBondContact N-OD2 2.96Å; S45-D48 WeakPolarHBondContact O-CB 3.45Å; S45-D48 PolarHBondContact O-N 3.49Å; S45-D48 PolarHBondContact OG-N 2.85Å; S45-D48 VanDerWaalsContact OG-N 3.07Å; S45-D48 PolarHBondContact OG-OD2 3.38Å; D48-E50 VanDerWaalsContact C-N 3.34Å; D48-E50 PolarHBondContact O-N 3.14Å; D48-K51 PolarHBondContact O-N 3.49Å; D48-S52 WeakPolarHBondContact O-CB 3.21Å; D48-S52 PolarHBondContact O-N 3.03Å; D48-S52 PolarHBondContact O-OG 3.14Å; D48-H80 IonicContact OD1-CE1 3.15Å; D48-H80 PolarHBondContact OD1-CE1 3.29Å; D48-H80 IonicContact OD1-ND1 3.48Å; D48-H80 PolarHBondContact OD1-ND1 2.75Å; D48-H80 VanDerWaalsContact OD1-ND1 3.15Å; D48-H80 IonicContact OD2-CE1 3.53Å; D48-H80 IonicContact OD2-ND1 2.72Å; D48-H80 PolarHBondContact OD2-ND1 3.34Å; D48-Y84 PolarHBondContact OD2-OH 2.72Å
49	C	90.5	Very high	87.5	Confident	37 Å²	37	55.6 Å²	55.6	25%	0.25	29%	0.292	C	S	.	.	H	α-helix	trans	-59.7	-45.1	175.1	-59.6	0	0	0	0	111.3	S45 K46 Y47 K51 S52 M53	S45-C49 PolarHBondContact O-N 3.48Å; S45-C49 VanDerWaalsContact O-N 3.08Å; S45-C49 PolarHBondContact O-SG 3.48Å; K46-C49 WeakPolarHBondContact O-CB 3.45Å; K46-C49 PolarHBondContact O-N 3.37Å; Y47-C49 VanDerWaalsContact C-N 3.34Å; C49-K51 VanDerWaalsContact C-N 3.33Å; C49-K51 PolarHBondContact O-N 3.15Å; C49-S52 WeakPolarHBondContact CA-OG 3.41Å; C49-S52 PolarHBondContact O-N 3.21Å; C49-S52 PolarHBondContact O-OG 3.47Å; C49-M53 VanDerWaalsContact O-CG 3.31Å; C49-M53 WeakPolarHBondContact O-CG 3.43Å; C49-M53 PolarHBondContact O-N 3.42Å; C49-M53 VanDerWaalsContact O-N 3.13Å
50	E	89.6	Confident	87.1	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-62.2	-39.2	177.1	-62.7	-51.4	158.1	0	0	112.6	K46 Y47 D48 S52 L62 I66 R69 L76	K46-E50 WeakPolarHBondContact CE-OE1 3.1Å; K46-E50 IonicContact NZ-OE1 2.93Å; K46-E50 PolarHBondContact NZ-OE1 3.1Å; K46-E50 WeakPolarHBondContact O-CG 3.22Å; K46-E50 PolarHBondContact O-N 3.32Å; Y47-E50 PolarHBondContact O-N 3.31Å; D48-E50 VanDerWaalsContact C-N 3.34Å; D48-E50 PolarHBondContact O-N 3.14Å; E50-S52 VanDerWaalsContact C-N 3.35Å; E50-L62 HydrophobicContact CB-CD1 4.12Å; E50-I66 HydrophobicContact CB-CD1 3.9Å; E50-I66 HydrophobicContact CB-CG1 4.24Å; E50-I66 HydrophobicContact CG-CD1 3.9Å; E50-I66 HydrophobicContact CG-CG1 3.97Å; E50-R69 VanDerWaalsContact CD-NH1 3.34Å; E50-R69 IonicContact OE1-NH1 3.11Å; E50-R69 PolarHBondContact OE1-NH1 2.78Å; E50-R69 IonicContact OE2-CZ 3.69Å; E50-R69 IonicContact OE2-NH1 2.61Å; E50-R69 PolarHBondContact OE2-NH1 3.37Å; E50-R69 IonicContact OE2-NH2 2.78Å; E50-R69 PolarHBondContact OE2-NH2 3.4Å; E50-L76 HydrophobicContact CG-CD1 4.38Å
51	K	88.5	Confident	86.7	Confident	94 Å²	94	64.6 Å²	64.6	41%	0.409	34%	0.338	S	S	.	.	H	α-helix	trans	-64.8	-37.1	174.2	-80	-174.6	166.1	178.6	0	112.8	Y47 D48 C49 L62	Y47-K51 HydrophobicContact CD1-CD 4.37Å; Y47-K51 HydrophobicContact CE1-CD 3.99Å; Y47-K51 PolarHBondContact O-N 3.23Å; Y47-K51 WeakPolarHBondContact OH-CE 3.29Å; D48-K51 PolarHBondContact O-N 3.49Å; C49-K51 VanDerWaalsContact C-N 3.33Å; C49-K51 PolarHBondContact O-N 3.15Å; K51-L62 HydrophobicContact CG-CD2 3.55Å
52	S	84.5	Confident	86.3	Confident	96 Å²	96	64.9 Å²	64.9	67%	0.671	34%	0.339	S	S	*	.	H	α-helix	trans	-74.1	-27.3	-178.4	69	0	0	0	0	114.4	D48 C49 E50	D48-S52 WeakPolarHBondContact O-CB 3.21Å; D48-S52 PolarHBondContact O-N 3.03Å; D48-S52 PolarHBondContact O-OG 3.14Å; C49-S52 WeakPolarHBondContact CA-OG 3.41Å; C49-S52 PolarHBondContact O-N 3.21Å; C49-S52 PolarHBondContact O-OG 3.47Å; E50-S52 VanDerWaalsContact C-N 3.35Å
53	M	78.2	Confident	86	Confident	104 Å²	104	68 Å²	68	51%	0.512	35%	0.351	S	S	.	.	H	α-helix	trans	-80.6	-19.6	-174.1	-74.8	175.9	-178.7	0	0	113.6	C49	C49-M53 VanDerWaalsContact O-CG 3.31Å; C49-M53 WeakPolarHBondContact O-CG 3.43Å; C49-M53 PolarHBondContact O-N 3.42Å; C49-M53 VanDerWaalsContact O-N 3.13Å
54	E	69.9	Low	85.9	Confident	65 Å²	65	68.7 Å²	68.7	30%	0.304	36%	0.36	S	S	.	.			trans	-135.8	138.2	-165.4	-57.3	-150.4	-124.6	0	0	113.4	Y56 S65 R69	E54-Y56 HydrophobicContact CB-CD2 3.41Å; E54-Y56 VanDerWaalsContact CB-CD2 3.41Å; E54-Y56 HydrophobicContact CB-CE2 3.37Å; E54-Y56 HydrophobicContact CB-CG 4.35Å; E54-Y56 VanDerWaalsContact CD-CZ 3.46Å; E54-Y56 HydrophobicContact CG-CD2 4.27Å; E54-Y56 HydrophobicContact CG-CE2 3.72Å; E54-Y56 PolarHBondContact O-N 3.13Å; E54-Y56 VanDerWaalsContact O-N 3.11Å; E54-Y56 WeakPolarHBondContact OE1-CE2 3.37Å; E54-Y56 PolarHBondContact OE1-OH 2.95Å; E54-Y56 WeakPolarHBondContact OE2-CE2 3.36Å; E54-Y56 PolarHBondContact OE2-OH 3.48Å; E54-S65 PolarHBondContact OE1-OG 2.93Å; E54-R69 IonicContact OE1-CZ 3.73Å; E54-R69 IonicContact OE1-NE 3.15Å; E54-R69 IonicContact OE1-NH2 3.48Å; E54-R69 PolarHBondContact OE1-NH2 3.31Å
55	T	69.9	Low	85.7	Confident	147 Å²	147	67.2 Å²	67.2	90%	0.902	35%	0.353	S	S	*	.			trans	-82.5	42	175.3	39.1	0	0	0	0	112.4
56	Y	67.7	Low	85.7	Confident	81 Å²	81	66.9 Å²	66.9	32%	0.318	35%	0.351	S	S	.	.			trans	-65	141.7	175.7	-71.4	-63.3	0	0	0	111.4	E54 Q61 L62 S65	E54-Y56 HydrophobicContact CB-CD2 3.41Å; E54-Y56 VanDerWaalsContact CB-CD2 3.41Å; E54-Y56 HydrophobicContact CB-CE2 3.37Å; E54-Y56 HydrophobicContact CB-CG 4.35Å; E54-Y56 VanDerWaalsContact CD-CZ 3.46Å; E54-Y56 HydrophobicContact CG-CD2 4.27Å; E54-Y56 HydrophobicContact CG-CE2 3.72Å; E54-Y56 PolarHBondContact O-N 3.13Å; E54-Y56 VanDerWaalsContact O-N 3.11Å; E54-Y56 WeakPolarHBondContact OE1-CE2 3.37Å; E54-Y56 PolarHBondContact OE1-OH 2.95Å; E54-Y56 WeakPolarHBondContact OE2-CE2 3.36Å; E54-Y56 PolarHBondContact OE2-OH 3.48Å; Y56-Q61 HydrophobicContact CD1-CB 3.64Å; Y56-Q61 HydrophobicContact CE1-CB 4.29Å; Y56-Q61 HydrophobicContact CG-CB 4.21Å; Y56-L62 HydrophobicContact CD2-CB 3.85Å; Y56-L62 HydrophobicContact CD2-CD1 3.67Å; Y56-L62 HydrophobicContact CD2-CG 4.37Å; Y56-L62 HydrophobicContact CE2-CB 4.5Å; Y56-L62 HydrophobicContact CE2-CD1 3.91Å; Y56-L62 HydrophobicContact CG-CB 4.26Å; Y56-S65 VanDerWaalsContact CZ-CB 3.41Å; Y56-S65 WeakPolarHBondContact OH-CB 3.42Å; Y56-S65 PolarHBondContact OH-OG 2.81Å
57	L	68.9	Low	85.8	Confident	158 Å²	158	68.1 Å²	68.1	83%	0.827	36%	0.358	S	S	*	.	S	Bend	trans	-79.6	-24.3	-179.9	-66.7	169.9	0	0	0	112.2
58	N	85.4	Confident	85.9	Confident	79 Å²	79	77.7 Å²	77.7	42%	0.422	39%	0.394	S	S	.	.	S	Bend	trans	-151.1	165.6	179.7	67.5	43.3	0	0	0	113.9	D60 Q61 L62	N58-D60 VanDerWaalsContact C-N 3.32Å; N58-D60 PolarHBondContact O-N 3.47Å; N58-D60 PolarHBondContact OD1-N 3.25Å; N58-Q61 PolarHBondContact O-N 2.94Å; N58-Q61 WeakPolarHBondContact OD1-CG 3.49Å; N58-Q61 PolarHBondContact OD1-N 2.81Å; N58-L62 PolarHBondContact O-N 3.07Å
59	D	86.2	Confident	85.9	Confident	81 Å²	81	81.3 Å²	81.3	43%	0.433	41%	0.405	S	S	.	.	H	α-helix	trans	-64	-29.6	-177	-78.7	-19.9	0	0	0	113.8	L62 K63	D59-L62 PolarHBondContact O-N 3.5Å; D59-K63 WeakPolarHBondContact O-CG 3.28Å; D59-K63 PolarHBondContact O-N 3.44Å
60	D	89.6	Confident	86.1	Confident	107 Å²	107	82.9 Å²	82.9	57%	0.572	43%	0.428	S	S	*	.	H	α-helix	trans	-74.9	-36.3	-177.8	-68.6	-27.3	0	0	0	112.2	N58 K63 T64	N58-D60 VanDerWaalsContact C-N 3.32Å; N58-D60 PolarHBondContact O-N 3.47Å; N58-D60 PolarHBondContact OD1-N 3.25Å; D60-K63 PolarHBondContact O-N 2.9Å; D60-K63 IonicContact OD1-NZ 2.92Å; D60-T64 WeakPolarHBondContact O-CB 3.23Å; D60-T64 PolarHBondContact O-N 3Å; D60-T64 PolarHBondContact O-OG1 3.22Å
61	Q	90.7	Very high	86.4	Confident	84 Å²	84	87 Å²	87	39%	0.393	45%	0.446	S	S	.	.	H	α-helix	trans	-63.2	-44.1	171.5	-72.2	176.4	-16.4	0	0	111.1	Y56 N58 T64 S65	Y56-Q61 HydrophobicContact CD1-CB 3.64Å; Y56-Q61 HydrophobicContact CE1-CB 4.29Å; Y56-Q61 HydrophobicContact CG-CB 4.21Å; N58-Q61 PolarHBondContact O-N 2.94Å; N58-Q61 WeakPolarHBondContact OD1-CG 3.49Å; N58-Q61 PolarHBondContact OD1-N 2.81Å; Q61-T64 PolarHBondContact O-N 3.23Å; Q61-S65 PolarHBondContact O-N 3.01Å
62	L	91.4	Very high	86.7	Confident	5 Å²	5	86.9 Å²	86.9	3%	0.026	45%	0.45	C	S	.	.	H	α-helix	trans	-59.7	-49	175.4	175	62.7	0	0	0	111.3	Y47 E50 K51 Y56 N58 D59 T64 S65 I66	Y47-L62 HydrophobicContact CE2-CD2 3.8Å; E50-L62 HydrophobicContact CB-CD1 4.12Å; K51-L62 HydrophobicContact CG-CD2 3.55Å; Y56-L62 HydrophobicContact CD2-CB 3.85Å; Y56-L62 HydrophobicContact CD2-CD1 3.67Å; Y56-L62 HydrophobicContact CD2-CG 4.37Å; Y56-L62 HydrophobicContact CE2-CB 4.5Å; Y56-L62 HydrophobicContact CE2-CD1 3.91Å; Y56-L62 HydrophobicContact CG-CB 4.26Å; N58-L62 PolarHBondContact O-N 3.07Å; D59-L62 PolarHBondContact O-N 3.5Å; L62-T64 VanDerWaalsContact C-N 3.32Å; L62-T64 PolarHBondContact O-N 3.18Å; L62-S65 PolarHBondContact O-N 2.96Å; L62-I66 HydrophobicContact CD1-CD1 3.92Å; L62-I66 HydrophobicContact CD1-CG1 4.22Å; L62-I66 HydrophobicContact CG-CD1 3.86Å; L62-I66 VanDerWaalsContact O-CG1 3.27Å; L62-I66 WeakPolarHBondContact O-CG1 3.36Å; L62-I66 PolarHBondContact O-N 3.14Å
63	K	92.3	Very high	87.2	Confident	71 Å²	71	82.4 Å²	82.4	31%	0.309	42%	0.419	S	S	.	.	H	α-helix	trans	-59.1	-42.9	178.1	-70.5	168.9	-171.4	163	0	111.9	D59 D60 S65 I66 E67 P73	D59-K63 WeakPolarHBondContact O-CG 3.28Å; D59-K63 PolarHBondContact O-N 3.44Å; D60-K63 PolarHBondContact O-N 2.9Å; D60-K63 IonicContact OD1-NZ 2.92Å; K63-S65 VanDerWaalsContact C-N 3.35Å; K63-S65 PolarHBondContact O-N 2.84Å; K63-I66 WeakPolarHBondContact O-CB 3.33Å; K63-I66 PolarHBondContact O-N 3.03Å; K63-E67 WeakPolarHBondContact O-CG 3.5Å; K63-E67 PolarHBondContact O-N 3.22Å; K63-P73 HydrophobicContact CB-CB 3.91Å; K63-P73 HydrophobicContact CB-CG 4.21Å; K63-P73 HydrophobicContact CG-CB 3.89Å
64	T	92.8	Very high	88	Confident	59 Å²	59	87.6 Å²	87.6	36%	0.362	43%	0.433	S	S	.	.	H	α-helix	trans	-62.9	-40.4	177.8	-56.3	0	0	0	0	111.8	D60 Q61 L62 E67 R68	D60-T64 WeakPolarHBondContact O-CB 3.23Å; D60-T64 PolarHBondContact O-N 3Å; D60-T64 PolarHBondContact O-OG1 3.22Å; Q61-T64 PolarHBondContact O-N 3.23Å; L62-T64 VanDerWaalsContact C-N 3.32Å; L62-T64 PolarHBondContact O-N 3.18Å; T64-E67 PolarHBondContact O-N 3.23Å; T64-R68 WeakPolarHBondContact O-CG 3.42Å; T64-R68 PolarHBondContact O-N 3Å
65	S	91.8	Very high	89.3	Confident	14 Å²	14	87.9 Å²	87.9	10%	0.098	44%	0.436	C	S	.	.	H	α-helix	trans	-64.4	-45	175.5	176.4	0	0	0	0	112.5	E54 Y56 Q61 L62 K63 E67 R68 R69	E54-S65 PolarHBondContact OE1-OG 2.93Å; Y56-S65 VanDerWaalsContact CZ-CB 3.41Å; Y56-S65 WeakPolarHBondContact OH-CB 3.42Å; Y56-S65 PolarHBondContact OH-OG 2.81Å; Q61-S65 PolarHBondContact O-N 3.01Å; L62-S65 PolarHBondContact O-N 2.96Å; K63-S65 VanDerWaalsContact C-N 3.35Å; K63-S65 PolarHBondContact O-N 2.84Å; S65-E67 VanDerWaalsContact C-N 3.29Å; S65-E67 PolarHBondContact O-N 2.84Å; S65-R68 PolarHBondContact O-N 3.5Å; S65-R69 PolarHBondContact O-N 3.08Å; S65-R69 VanDerWaalsContact O-N 3.1Å
66	I	93.4	Very high	90.5	Very high	0 Å²	0	81.9 Å²	81.9	0%	0	40%	0.398	C	S	.	.	H	α-helix	trans	-56.5	-45.4	175.9	-71.1	171.4	0	0	0	110.3	Y47 E50 L62 K63 R69 G70 F71 P73 L76	Y47-I66 HydrophobicContact CD2-CD1 4.24Å; Y47-I66 HydrophobicContact CE2-CD1 4.32Å; E50-I66 HydrophobicContact CB-CD1 3.9Å; E50-I66 HydrophobicContact CB-CG1 4.24Å; E50-I66 HydrophobicContact CG-CD1 3.9Å; E50-I66 HydrophobicContact CG-CG1 3.97Å; L62-I66 HydrophobicContact CD1-CD1 3.92Å; L62-I66 HydrophobicContact CD1-CG1 4.22Å; L62-I66 HydrophobicContact CG-CD1 3.86Å; L62-I66 VanDerWaalsContact O-CG1 3.27Å; L62-I66 WeakPolarHBondContact O-CG1 3.36Å; L62-I66 PolarHBondContact O-N 3.14Å; K63-I66 WeakPolarHBondContact O-CB 3.33Å; K63-I66 PolarHBondContact O-N 3.03Å; I66-R69 PolarHBondContact O-N 3.21Å; I66-G70 PolarHBondContact O-N 3.46Å; I66-F71 HydrophobicContact CG2-CB 3.51Å; I66-F71 PolarHBondContact O-N 3.44Å; I66-F71 VanDerWaalsContact O-N 3.07Å; I66-P73 HydrophobicContact CB-CB 4.36Å; I66-P73 HydrophobicContact CG2-CB 3.94Å; I66-L76 HydrophobicContact CD1-CD1 4.35Å; I66-L76 HydrophobicContact CG2-CD1 3.71Å
67	E	94.7	Very high	91.8	Very high	111 Å²	111	79.4 Å²	79.4	52%	0.519	39%	0.391	S	S	.	.	H	α-helix	trans	-62.3	-44.5	176.5	-73.2	177.3	173.5	0	0	112.6	K63 T64 S65 R69 G70 F71 P73	K63-E67 WeakPolarHBondContact O-CG 3.5Å; K63-E67 PolarHBondContact O-N 3.22Å; T64-E67 PolarHBondContact O-N 3.23Å; S65-E67 VanDerWaalsContact C-N 3.29Å; S65-E67 PolarHBondContact O-N 2.84Å; E67-R69 PolarHBondContact O-N 3.11Å; E67-G70 PolarHBondContact O-N 3.37Å; E67-F71 WeakPolarHBondContact CA-O 3.25Å; E67-P73 HydrophobicContact CG-CG 3.5Å; E67-P73 VanDerWaalsContact CG-CG 3.5Å; E67-P73 WeakPolarHBondContact OE1-CG 3.4Å
68	R	94.3	Very high	93.1	Very high	212 Å²	212	73.9 Å²	73.9	80%	0.8	37%	0.368	S	S	*	.	H	α-helix	trans	-61	-28.7	177.6	-74.1	174.7	-178.4	172.7	1.7	113.1	T64 S65 G70	T64-R68 WeakPolarHBondContact O-CG 3.42Å; T64-R68 PolarHBondContact O-N 3Å; S65-R68 PolarHBondContact O-N 3.5Å; R68-G70 VanDerWaalsContact C-N 3.28Å
69	R	93.4	Very high	93.6	Very high	102 Å²	102	73.7 Å²	73.7	39%	0.385	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	3.7	174.9	-69.7	-174.4	-79.2	136.5	-11.2	113.7	E50 E54 S65 I66 E67 F71	E50-R69 VanDerWaalsContact CD-NH1 3.34Å; E50-R69 IonicContact OE1-NH1 3.11Å; E50-R69 PolarHBondContact OE1-NH1 2.78Å; E50-R69 IonicContact OE2-CZ 3.69Å; E50-R69 IonicContact OE2-NH1 2.61Å; E50-R69 PolarHBondContact OE2-NH1 3.37Å; E50-R69 IonicContact OE2-NH2 2.78Å; E50-R69 PolarHBondContact OE2-NH2 3.4Å; E54-R69 IonicContact OE1-CZ 3.73Å; E54-R69 IonicContact OE1-NE 3.15Å; E54-R69 IonicContact OE1-NH2 3.48Å; E54-R69 PolarHBondContact OE1-NH2 3.31Å; S65-R69 PolarHBondContact O-N 3.08Å; S65-R69 VanDerWaalsContact O-N 3.1Å; I66-R69 PolarHBondContact O-N 3.21Å; E67-R69 PolarHBondContact O-N 3.11Å; R69-F71 HydrophobicContact CB-CD2 3.96Å; R69-F71 HydrophobicContact CB-CE2 4.16Å
70	G	95.3	Very high	94.1	Very high	70 Å²	70	71.7 Å²	71.7	72%	0.722	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.3	12.7	175.1	0	0	0	0	0	114.8	I66 E67 R68	I66-G70 PolarHBondContact O-N 3.46Å; E67-G70 PolarHBondContact O-N 3.37Å; R68-G70 VanDerWaalsContact C-N 3.28Å
71	F	94.5	Very high	94.4	Very high	86 Å²	86	72.3 Å²	72.3	38%	0.377	35%	0.349	S	S	.	.			trans	-99.6	149.9	177.6	-62.8	-75.8	0	0	0	111.4	I66 E67 R69 P73 L76	I66-F71 HydrophobicContact CG2-CB 3.51Å; I66-F71 PolarHBondContact O-N 3.44Å; I66-F71 VanDerWaalsContact O-N 3.07Å; E67-F71 WeakPolarHBondContact CA-O 3.25Å; R69-F71 HydrophobicContact CB-CD2 3.96Å; R69-F71 HydrophobicContact CB-CE2 4.16Å; F71-P73 VanDerWaalsContact O-CD 3.25Å; F71-P73 WeakPolarHBondContact O-CD 3.43Å; F71-L76 HydrophobicContact CB-CD1 4.23Å
72	N	95.8	Very high	94.8	Very high	92 Å²	92	71.3 Å²	71.3	49%	0.492	35%	0.349	S	S	.	.			trans	-89.3	106.2	174.3	-179	-31	0	0	0	110	R74 L75 L76	N72-R74 PolarHBondContact O-N 3.44Å; N72-R74 PolarHBondContact OD1-N 2.97Å; N72-R74 VanDerWaalsContact OD1-N 3.12Å; N72-L75 HydrophobicContact CB-CB 3.99Å; N72-L75 PolarHBondContact O-N 3.38Å; N72-L75 PolarHBondContact OD1-N 3.42Å; N72-L75 VanDerWaalsContact OD1-N 3.07Å; N72-L76 WeakPolarHBondContact O-CG 3.43Å; N72-L76 PolarHBondContact O-N 2.92Å; N72-L76 VanDerWaalsContact O-N 3.07Å
73	P	94.6	Very high	95	Very high	3 Å²	3	71 Å²	71	2%	0.019	35%	0.348	C	S	.	.	H	α-helix	trans	-65.7	-36.2	-174.7	26.7	-36.7	0	0	0	112.9	K63 I66 E67 F71 L75 L76 V77	K63-P73 HydrophobicContact CB-CB 3.91Å; K63-P73 HydrophobicContact CB-CG 4.21Å; K63-P73 HydrophobicContact CG-CB 3.89Å; I66-P73 HydrophobicContact CB-CB 4.36Å; I66-P73 HydrophobicContact CG2-CB 3.94Å; E67-P73 HydrophobicContact CG-CG 3.5Å; E67-P73 VanDerWaalsContact CG-CG 3.5Å; E67-P73 WeakPolarHBondContact OE1-CG 3.4Å; F71-P73 VanDerWaalsContact O-CD 3.25Å; F71-P73 WeakPolarHBondContact O-CD 3.43Å; P73-L75 VanDerWaalsContact C-N 3.31Å; P73-L75 PolarHBondContact O-N 3.39Å; P73-L76 PolarHBondContact O-N 2.96Å; P73-V77 WeakPolarHBondContact O-CG2 3.38Å; P73-V77 PolarHBondContact O-N 2.64Å
74	R	95.9	Very high	95.3	Very high	213 Å²	213	70.6 Å²	70.6	80%	0.804	34%	0.344	S	S	*	.	H	α-helix	trans	-62.2	-42.3	178.2	-64.6	-176.5	-176	175.6	1	110.8	N72 V77 A78	N72-R74 PolarHBondContact O-N 3.44Å; N72-R74 PolarHBondContact OD1-N 2.97Å; N72-R74 VanDerWaalsContact OD1-N 3.12Å; R74-V77 PolarHBondContact O-N 2.97Å; R74-A78 WeakPolarHBondContact O-CB 3.27Å; R74-A78 PolarHBondContact O-N 3Å
75	L	95.9	Very high	95.6	Very high	71 Å²	71	70.7 Å²	70.7	37%	0.372	35%	0.351	S	S	.	.	H	α-helix	trans	-66	-39.7	175.8	-177.8	61.7	0	0	0	111.8	N72 P73 R79 F152	N72-L75 HydrophobicContact CB-CB 3.99Å; N72-L75 PolarHBondContact O-N 3.38Å; N72-L75 PolarHBondContact OD1-N 3.42Å; N72-L75 VanDerWaalsContact OD1-N 3.07Å; P73-L75 VanDerWaalsContact C-N 3.31Å; P73-L75 PolarHBondContact O-N 3.39Å; L75-R79 HydrophobicContact CD1-CG 4.21Å; L75-R79 WeakPolarHBondContact O-CB 3.27Å; L75-R79 VanDerWaalsContact O-CG 3.25Å; L75-R79 WeakPolarHBondContact O-CG 3.49Å; L75-R79 PolarHBondContact O-N 3.43Å; L75-R79 VanDerWaalsContact O-N 3.09Å; L75-F152 HydrophobicContact CD1-CE1 4.13Å; L75-F152 HydrophobicContact CD1-CZ 3.76Å
76	L	95	Very high	95.9	Very high	20 Å²	20	72.2 Å²	72.2	11%	0.105	36%	0.356	C	S	.	.	H	α-helix	trans	-62.9	-43.9	177.3	-67.4	-170.6	0	0	0	112.2	K46 E50 I66 F71 N72 P73 R79 H80	K46-L76 HydrophobicContact CB-CD2 3.99Å; K46-L76 HydrophobicContact CG-CD1 3.98Å; K46-L76 HydrophobicContact CG-CD2 3.76Å; E50-L76 HydrophobicContact CG-CD1 4.38Å; I66-L76 HydrophobicContact CD1-CD1 4.35Å; I66-L76 HydrophobicContact CG2-CD1 3.71Å; F71-L76 HydrophobicContact CB-CD1 4.23Å; N72-L76 WeakPolarHBondContact O-CG 3.43Å; N72-L76 PolarHBondContact O-N 2.92Å; N72-L76 VanDerWaalsContact O-N 3.07Å; P73-L76 PolarHBondContact O-N 2.96Å; L76-R79 PolarHBondContact O-N 3.02Å; L76-H80 WeakPolarHBondContact O-CB 3.21Å; L76-H80 PolarHBondContact O-N 3.32Å
77	V	95.6	Very high	96.1	Very high	30 Å²	30	72.3 Å²	72.3	18%	0.182	36%	0.356	C	S	.	.	H	α-helix	trans	-63.5	-50	176.8	173.8	0	0	0	0	110.9	Y47 P73 R74 R79 H80 E81	Y47-V77 HydrophobicContact CD1-CG2 4.37Å; Y47-V77 HydrophobicContact CD2-CG2 4.07Å; Y47-V77 HydrophobicContact CE1-CG2 4.01Å; Y47-V77 HydrophobicContact CE2-CG2 3.73Å; Y47-V77 HydrophobicContact CG-CG2 4.39Å; P73-V77 WeakPolarHBondContact O-CG2 3.38Å; P73-V77 PolarHBondContact O-N 2.64Å; R74-V77 PolarHBondContact O-N 2.97Å; V77-R79 PolarHBondContact O-N 3.42Å; V77-H80 WeakPolarHBondContact O-CA 3.39Å; V77-H80 WeakPolarHBondContact O-CB 3.41Å; V77-H80 PolarHBondContact O-N 3.41Å; V77-E81 HydrophobicContact CG1-CG 4.41Å; V77-E81 WeakPolarHBondContact O-CG 3.45Å; V77-E81 PolarHBondContact O-N 3Å
78	A	96.5	Very high	96.3	Very high	42 Å²	42	71.7 Å²	71.7	35%	0.347	35%	0.352	S	S	.	.	H	α-helix	trans	-57.9	-37	179.7	0	0	0	0	0	112.7	R74 T82	R74-A78 WeakPolarHBondContact O-CB 3.27Å; R74-A78 PolarHBondContact O-N 3Å; A78-T82 WeakPolarHBondContact O-CB 3.45Å; A78-T82 PolarHBondContact O-N 3.34Å; A78-T82 PolarHBondContact O-OG1 3.06Å
79	R	95.5	Very high	96.5	Very high	75 Å²	75	65.1 Å²	65.1	28%	0.283	33%	0.33	S	S	.	.	H	α-helix	trans	-74.8	-33.6	176.9	-69.7	-174.9	72.3	-167.4	1.9	113.2	L75 L76 V77 H83 D149 F152	L75-R79 HydrophobicContact CD1-CG 4.21Å; L75-R79 WeakPolarHBondContact O-CB 3.27Å; L75-R79 VanDerWaalsContact O-CG 3.25Å; L75-R79 WeakPolarHBondContact O-CG 3.49Å; L75-R79 PolarHBondContact O-N 3.43Å; L75-R79 VanDerWaalsContact O-N 3.09Å; L76-R79 PolarHBondContact O-N 3.02Å; V77-R79 PolarHBondContact O-N 3.42Å; R79-H83 WeakPolarHBondContact O-CB 3.41Å; R79-H83 PolarHBondContact O-N 2.95Å; R79-D149 IonicContact CZ-OD2 2.7Å; R79-D149 IonicContact NE-OD2 3.68Å; R79-D149 PolarHBondContact NE-OD2 3.41Å; R79-D149 IonicContact NH2-OD2 2.66Å; R79-D149 PolarHBondContact NH2-OD2 2.9Å; R79-D149 VanDerWaalsContact NH2-OD2 3.15Å; R79-F152 HydrophobicContact CG-CD2 4.42Å; R79-F152 HydrophobicContact CG-CE2 4.32Å; R79-F152 VanDerWaalsContact NH2-CB 3.3Å
80	H	96.5	Very high	96.7	Very high	39 Å²	39	60.2 Å²	60.2	18%	0.181	31%	0.312	C	S	.	.	H	α-helix	trans	-61	-50.4	170.5	166.9	93	0	0	0	110.1	S45 Y47 D48 L76 V77 T82 H83 Y84	S45-H80 PolarHBondContact OG-ND1 2.9Å; Y47-H80 HydrophobicContact CD1-CB 4.09Å; Y47-H80 AromaticContact CD1-CG 3.82Å; Y47-H80 HydrophobicContact CG-CB 4.41Å; D48-H80 IonicContact OD1-CE1 3.15Å; D48-H80 PolarHBondContact OD1-CE1 3.29Å; D48-H80 IonicContact OD1-ND1 3.48Å; D48-H80 PolarHBondContact OD1-ND1 2.75Å; D48-H80 VanDerWaalsContact OD1-ND1 3.15Å; D48-H80 IonicContact OD2-CE1 3.53Å; D48-H80 IonicContact OD2-ND1 2.72Å; D48-H80 PolarHBondContact OD2-ND1 3.34Å; L76-H80 WeakPolarHBondContact O-CB 3.21Å; L76-H80 PolarHBondContact O-N 3.32Å; V77-H80 WeakPolarHBondContact O-CA 3.39Å; V77-H80 WeakPolarHBondContact O-CB 3.41Å; V77-H80 PolarHBondContact O-N 3.41Å; H80-T82 PolarHBondContact O-N 3.31Å; H80-H83 WeakPolarHBondContact O-CB 3.38Å; H80-H83 PolarHBondContact O-N 3.42Å; H80-Y84 AromaticContact CE1-CD2 3.47Å; H80-Y84 VanDerWaalsContact CE1-CD2 3.47Å; H80-Y84 WeakPolarHBondContact CE1-CD2 3.42Å; H80-Y84 AromaticContact CE1-CE2 3.23Å; H80-Y84 WeakPolarHBondContact CE1-CE2 3.01Å; H80-Y84 AromaticContact ND1-CD2 3.68Å; H80-Y84 AromaticContact ND1-CE2 3.45Å; H80-Y84 WeakPolarHBondContact ND1-CE2 3.05Å; H80-Y84 AromaticContact NE2-CD2 3.84Å; H80-Y84 WeakPolarHBondContact O-CD2 3.41Å; H80-Y84 PolarHBondContact O-N 3.06Å
81	E	97.6	Very high	96.9	Very high	119 Å²	119	59 Å²	59	56%	0.556	29%	0.287	S	S	*	.	H	α-helix	trans	-60.1	-46.4	177.8	-68.7	171.7	172	0	0	112.1	V77 H83 Y84 A85	V77-E81 HydrophobicContact CG1-CG 4.41Å; V77-E81 WeakPolarHBondContact O-CG 3.45Å; V77-E81 PolarHBondContact O-N 3Å; E81-H83 VanDerWaalsContact C-N 3.31Å; E81-H83 PolarHBondContact O-N 3.33Å; E81-Y84 PolarHBondContact O-N 3.36Å; E81-A85 VanDerWaalsContact O-CB 3.29Å; E81-A85 WeakPolarHBondContact O-CB 3.01Å; E81-A85 PolarHBondContact O-N 3.22Å
82	T	97	Very high	97.1	Very high	63 Å²	63	58.7 Å²	58.7	39%	0.387	29%	0.289	S	S	.	.	H	α-helix	trans	-57.2	-44.7	176.5	-60.7	0	0	0	0	111.6	A78 H80 K86	A78-T82 WeakPolarHBondContact O-CB 3.45Å; A78-T82 PolarHBondContact O-N 3.34Å; A78-T82 PolarHBondContact O-OG1 3.06Å; H80-T82 PolarHBondContact O-N 3.31Å; T82-K86 PolarHBondContact O-N 3.41Å
83	H	97.5	Very high	97.2	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-61.8	-51.9	179.1	170.4	58.6	0	0	0	112	K43 R79 H80 E81 K86 L87 A123 T148	K43-H83 PolarHBondContact O-NE2 2.91Å; R79-H83 WeakPolarHBondContact O-CB 3.41Å; R79-H83 PolarHBondContact O-N 2.95Å; H80-H83 WeakPolarHBondContact O-CB 3.38Å; H80-H83 PolarHBondContact O-N 3.42Å; E81-H83 VanDerWaalsContact C-N 3.31Å; E81-H83 PolarHBondContact O-N 3.33Å; H83-K86 PolarHBondContact O-N 3.34Å; H83-L87 WeakPolarHBondContact O-CB 3.39Å; H83-L87 PolarHBondContact O-N 3.37Å; H83-A123 PolarHBondContact CE1-O 3.21Å; H83-A123 VanDerWaalsContact CE1-O 3.28Å; H83-T148 WeakPolarHBondContact ND1-CB 3.43Å; H83-T148 PolarHBondContact ND1-OG1 3.35Å
84	Y	98.3	Very high	97.4	Very high	62 Å²	62	54.5 Å²	54.5	24%	0.243	27%	0.267	C	S	.	.	H	α-helix	trans	-68.7	-36.5	-177.2	-83.5	-79.6	0	0	0	112.6	D48 H80 E81 K86 L87 F88	D48-Y84 PolarHBondContact OD2-OH 2.72Å; H80-Y84 AromaticContact CE1-CD2 3.47Å; H80-Y84 VanDerWaalsContact CE1-CD2 3.47Å; H80-Y84 WeakPolarHBondContact CE1-CD2 3.42Å; H80-Y84 AromaticContact CE1-CE2 3.23Å; H80-Y84 WeakPolarHBondContact CE1-CE2 3.01Å; H80-Y84 AromaticContact ND1-CD2 3.68Å; H80-Y84 AromaticContact ND1-CE2 3.45Å; H80-Y84 WeakPolarHBondContact ND1-CE2 3.05Å; H80-Y84 AromaticContact NE2-CD2 3.84Å; H80-Y84 WeakPolarHBondContact O-CD2 3.41Å; H80-Y84 PolarHBondContact O-N 3.06Å; E81-Y84 PolarHBondContact O-N 3.36Å; Y84-K86 VanDerWaalsContact C-N 3.33Å; Y84-K86 PolarHBondContact O-N 3.43Å; Y84-L87 HydrophobicContact CD1-CD2 3.92Å; Y84-L87 HydrophobicContact CE1-CD2 4.05Å; Y84-L87 PolarHBondContact O-N 2.84Å; Y84-F88 HydrophobicContact CD1-CE2 4.05Å; Y84-F88 HydrophobicContact CD1-CZ 4.18Å; Y84-F88 WeakPolarHBondContact O-CD2 3.03Å; Y84-F88 WeakPolarHBondContact O-CG 3.45Å; Y84-F88 PolarHBondContact O-N 3.42Å
85	A	98	Very high	97.5	Very high	60 Å²	60	50 Å²	50	50%	0.496	25%	0.25	S	S	.	.	H	α-helix	trans	-56.4	-48.1	173.2	0	0	0	0	0	111.2	E81 F88 E89	E81-A85 VanDerWaalsContact O-CB 3.29Å; E81-A85 WeakPolarHBondContact O-CB 3.01Å; E81-A85 PolarHBondContact O-N 3.22Å; A85-F88 PolarHBondContact O-N 3.2Å; A85-E89 PolarHBondContact O-N 3.09Å
86	K	97.6	Very high	97.6	Very high	46 Å²	46	53 Å²	53	20%	0.2	27%	0.267	C	S	.	.	H	α-helix	trans	-71.5	-34.5	178.7	-72.2	-69.8	167.3	-169.9	0	113.7	T82 H83 Y84 E89 L90 T148 T164 V167	T82-K86 PolarHBondContact O-N 3.41Å; H83-K86 PolarHBondContact O-N 3.34Å; Y84-K86 VanDerWaalsContact C-N 3.33Å; Y84-K86 PolarHBondContact O-N 3.43Å; K86-E89 WeakPolarHBondContact CD-OE2 3.42Å; K86-E89 WeakPolarHBondContact CE-OE2 3.3Å; K86-E89 IonicContact NZ-OE1 2.99Å; K86-E89 PolarHBondContact NZ-OE1 3.12Å; K86-E89 IonicContact NZ-OE2 2.82Å; K86-E89 PolarHBondContact NZ-OE2 2.99Å; K86-E89 PolarHBondContact O-N 2.92Å; K86-L90 WeakPolarHBondContact O-CB 3.48Å; K86-L90 PolarHBondContact O-N 3.26Å; K86-T148 HydrophobicContact CB-CG2 4.25Å; K86-T164 HydrophobicContact CD-CG2 3.98Å; K86-T164 WeakPolarHBondContact CE-O 3.49Å; K86-T164 HydrophobicContact CG-CG2 4.3Å; K86-T164 PolarHBondContact NZ-O 2.84Å; K86-V167 HydrophobicContact CD-CG2 4.44Å
87	L	98.5	Very high	97.8	Very high	2 Å²	2	55.9 Å²	55.9	1%	0.01	28%	0.279	C	S	.	.	H	α-helix	trans	-59.5	-45.8	172.3	172.4	62.4	0	0	0	111.4	I40 A42 H83 Y84 L90 K91 I103 A123	I40-L87 HydrophobicContact CG2-CD1 3.66Å; A42-L87 HydrophobicContact CB-CD1 4.08Å; A42-L87 HydrophobicContact CB-CD2 3.72Å; H83-L87 WeakPolarHBondContact O-CB 3.39Å; H83-L87 PolarHBondContact O-N 3.37Å; Y84-L87 HydrophobicContact CD1-CD2 3.92Å; Y84-L87 HydrophobicContact CE1-CD2 4.05Å; Y84-L87 PolarHBondContact O-N 2.84Å; L87-L90 PolarHBondContact O-N 3.21Å; L87-K91 WeakPolarHBondContact O-CB 3.41Å; L87-K91 PolarHBondContact O-N 2.99Å; L87-I103 HydrophobicContact CD1-CD1 4.11Å; L87-I103 HydrophobicContact CD1-CG2 4.39Å; L87-I103 HydrophobicContact CD2-CG2 4.36Å; L87-I103 HydrophobicContact CG-CD1 4.22Å; L87-A123 HydrophobicContact CD1-CB 3.65Å
88	F	98.5	Very high	97.9	Very high	99 Å²	99	57.7 Å²	57.7	43%	0.434	30%	0.304	S	S	.	.	H	α-helix	trans	-71.5	-34.6	179.2	-67.8	-50.9	0	0	0	112.7	Y84 A85 K91 N92	Y84-F88 HydrophobicContact CD1-CE2 4.05Å; Y84-F88 HydrophobicContact CD1-CZ 4.18Å; Y84-F88 WeakPolarHBondContact O-CD2 3.03Å; Y84-F88 WeakPolarHBondContact O-CG 3.45Å; Y84-F88 PolarHBondContact O-N 3.42Å; A85-F88 PolarHBondContact O-N 3.2Å; F88-K91 HydrophobicContact CD1-CD 4.22Å; F88-K91 PolarHBondContact O-N 2.99Å; F88-N92 WeakPolarHBondContact O-CB 3.35Å; F88-N92 PolarHBondContact O-N 2.8Å; F88-N92 PolarHBondContact O-ND2 3.04Å
89	E	98.5	Very high	98	Very high	73 Å²	73	56.2 Å²	56.2	34%	0.341	29%	0.29	S	S	.	.	H	α-helix	trans	-59.1	-46.6	171.2	-163.6	-178.1	150.1	0	0	111.1	A85 K86 N92 A93 V167	A85-E89 PolarHBondContact O-N 3.09Å; K86-E89 WeakPolarHBondContact CD-OE2 3.42Å; K86-E89 WeakPolarHBondContact CE-OE2 3.3Å; K86-E89 IonicContact NZ-OE1 2.99Å; K86-E89 PolarHBondContact NZ-OE1 3.12Å; K86-E89 IonicContact NZ-OE2 2.82Å; K86-E89 PolarHBondContact NZ-OE2 2.99Å; K86-E89 PolarHBondContact O-N 2.92Å; E89-N92 PolarHBondContact O-N 3.17Å; E89-A93 WeakPolarHBondContact O-CB 3.41Å; E89-A93 PolarHBondContact O-N 3.37Å; E89-V167 HydrophobicContact CB-CG2 4.22Å; E89-V167 VanDerWaalsContact CD-CG2 3.46Å; E89-V167 HydrophobicContact CG-CB 3.87Å; E89-V167 HydrophobicContact CG-CG1 4.18Å; E89-V167 HydrophobicContact CG-CG2 3.8Å; E89-V167 WeakPolarHBondContact OE1-CB 3.38Å; E89-V167 WeakPolarHBondContact OE1-CG2 3.39Å
90	L	98.6	Very high	98.1	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-60.2	-48.3	175.2	175.6	62.9	0	0	0	112.1	I40 K86 L87 N92 A93 L94 F121 A123 F146 V167 I171	I40-L90 HydrophobicContact CD1-CD2 4.24Å; I40-L90 HydrophobicContact CD1-CG 4.15Å; I40-L90 HydrophobicContact CG2-CD2 4.28Å; K86-L90 WeakPolarHBondContact O-CB 3.48Å; K86-L90 PolarHBondContact O-N 3.26Å; L87-L90 PolarHBondContact O-N 3.21Å; L90-N92 VanDerWaalsContact C-N 3.33Å; L90-N92 PolarHBondContact O-N 3.15Å; L90-A93 PolarHBondContact O-N 3.22Å; L90-L94 HydrophobicContact CD1-CD1 4.11Å; L90-L94 HydrophobicContact CD1-CG 4.42Å; L90-L94 HydrophobicContact CG-CD1 4.21Å; L90-L94 WeakPolarHBondContact O-CG 3.25Å; L90-L94 PolarHBondContact O-N 3.45Å; L90-L94 VanDerWaalsContact O-N 3.14Å; L90-F121 HydrophobicContact CD1-CD1 4.36Å; L90-F121 HydrophobicContact CD2-CB 4.48Å; L90-A123 HydrophobicContact CD2-CB 4.43Å; L90-F146 HydrophobicContact CD1-CD2 4.35Å; L90-F146 HydrophobicContact CD1-CG 4.5Å; L90-F146 HydrophobicContact CD2-CB 3.99Å; L90-F146 HydrophobicContact CD2-CD1 4.31Å; L90-F146 HydrophobicContact CD2-CG 4.08Å; L90-V167 HydrophobicContact CB-CG1 4.29Å; L90-V167 HydrophobicContact CD1-CG1 4.38Å; L90-I171 HydrophobicContact CD1-CD1 3.74Å; L90-I171 HydrophobicContact CD1-CG1 4.27Å
91	K	98.7	Very high	98.2	Very high	44 Å²	44	56 Å²	56	19%	0.191	29%	0.293	C	S	.	.	H	α-helix	trans	-56.8	-46.7	178	-177.6	-160.4	-176	173.5	0	111.7	I40 L87 F88 R95 V101 I103	I40-K91 HydrophobicContact CD1-CB 4.18Å; L87-K91 WeakPolarHBondContact O-CB 3.41Å; L87-K91 PolarHBondContact O-N 2.99Å; F88-K91 HydrophobicContact CD1-CD 4.22Å; F88-K91 PolarHBondContact O-N 2.99Å; K91-R95 WeakPolarHBondContact O-CG 3.44Å; K91-R95 PolarHBondContact O-N 2.91Å; K91-R95 VanDerWaalsContact O-N 3.11Å; K91-V101 HydrophobicContact CG-CG1 4.03Å; K91-I103 HydrophobicContact CB-CD1 4.13Å; K91-I103 HydrophobicContact CD-CD1 3.68Å; K91-I103 HydrophobicContact CG-CD1 3.95Å
92	N	98.7	Very high	98.3	Very high	80 Å²	80	54.4 Å²	54.4	43%	0.428	29%	0.285	S	S	.	.	H	α-helix	trans	-68.7	-45.7	-177.4	-68.2	-13.9	0	0	0	110.7	F88 E89 L90 L94 R95 D96	F88-N92 WeakPolarHBondContact O-CB 3.35Å; F88-N92 PolarHBondContact O-N 2.8Å; F88-N92 PolarHBondContact O-ND2 3.04Å; E89-N92 PolarHBondContact O-N 3.17Å; L90-N92 VanDerWaalsContact C-N 3.33Å; L90-N92 PolarHBondContact O-N 3.15Å; N92-L94 PolarHBondContact O-N 2.97Å; N92-R95 PolarHBondContact O-N 3.09Å; N92-D96 PolarHBondContact O-N 3.45Å
93	A	98.5	Very high	98.4	Very high	6 Å²	6	54.1 Å²	54.1	5%	0.05	28%	0.281	C	S	.	.	H	α-helix	trans	-56.3	-38.1	177	0	0	0	0	0	112.8	E89 L90 H97 V167 I171	E89-A93 WeakPolarHBondContact O-CB 3.41Å; E89-A93 PolarHBondContact O-N 3.37Å; L90-A93 PolarHBondContact O-N 3.22Å; A93-H97 PolarHBondContact O-ND1 3.05Å; A93-V167 HydrophobicContact CB-CG1 3.84Å; A93-I171 HydrophobicContact CB-CB 4.26Å; A93-I171 HydrophobicContact CB-CG1 3.83Å
94	L	98.6	Very high	98.4	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-69.1	-42.1	174.4	-68.8	166.9	0	0	0	112.4	A38 I40 L90 N92 H97 L99 V101 F121 I171	A38-L94 HydrophobicContact CB-CD1 4.31Å; I40-L94 HydrophobicContact CD1-CD1 3.97Å; I40-L94 HydrophobicContact CG1-CD1 4.33Å; L90-L94 HydrophobicContact CD1-CD1 4.11Å; L90-L94 HydrophobicContact CD1-CG 4.42Å; L90-L94 HydrophobicContact CG-CD1 4.21Å; L90-L94 WeakPolarHBondContact O-CG 3.25Å; L90-L94 PolarHBondContact O-N 3.45Å; L90-L94 VanDerWaalsContact O-N 3.14Å; N92-L94 PolarHBondContact O-N 2.97Å; L94-H97 PolarHBondContact O-N 3.2Å; L94-L99 HydrophobicContact CD2-CD2 4.15Å; L94-L99 WeakPolarHBondContact O-CB 3.36Å; L94-L99 WeakPolarHBondContact O-CD1 3.39Å; L94-L99 PolarHBondContact O-N 3.43Å; L94-V101 HydrophobicContact CB-CG2 3.71Å; L94-V101 HydrophobicContact CD1-CG2 4.5Å; L94-F121 HydrophobicContact CD1-CD2 4.11Å; L94-F121 HydrophobicContact CD1-CE2 4.08Å; L94-F121 HydrophobicContact CD1-CG 4.49Å; L94-F121 HydrophobicContact CD1-CZ 4.45Å; L94-F121 HydrophobicContact CD2-CE2 3.83Å; L94-F121 HydrophobicContact CD2-CZ 3.78Å; L94-I171 HydrophobicContact CD2-CD1 3.82Å; L94-I171 HydrophobicContact CD2-CG1 4.33Å; L94-I171 HydrophobicContact CD2-CG2 4.04Å; L94-I171 HydrophobicContact CG-CD1 4.25Å; L94-I171 HydrophobicContact CG-CG1 4.49Å
95	R	98.5	Very high	98.2	Very high	120 Å²	120	54.3 Å²	54.3	45%	0.453	29%	0.286	S	S	.	.	H	α-helix	trans	-66.6	-36.2	177.9	-75.9	179.6	172.5	-162.1	-8.3	113	K91 N92 H97 G98 V101	K91-R95 WeakPolarHBondContact O-CG 3.44Å; K91-R95 PolarHBondContact O-N 2.91Å; K91-R95 VanDerWaalsContact O-N 3.11Å; N92-R95 PolarHBondContact O-N 3.09Å; R95-H97 PolarHBondContact O-N 3.02Å; R95-G98 WeakPolarHBondContact O-CA 3.35Å; R95-G98 PolarHBondContact O-N 3.07Å; R95-V101 HydrophobicContact CG-CB 4.19Å; R95-V101 HydrophobicContact CG-CG2 3.76Å
96	D	98.2	Very high	98	Very high	134 Å²	134	53.7 Å²	53.7	72%	0.717	27%	0.271	S	S	*	.	H	α-helix	trans	-63.5	-22.8	177.1	-65.5	-20.2	0	0	0	111.5	N92 G98	N92-D96 PolarHBondContact O-N 3.45Å; D96-G98 VanDerWaalsContact C-N 3.32Å
97	H	97.7	Very high	97.8	Very high	80 Å²	80	56 Å²	56	37%	0.37	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	8.3	170.8	-73	83.9	0	0	0	114.4	A93 L94 R95 L99 D172 L175	A93-H97 PolarHBondContact O-ND1 3.05Å; L94-H97 PolarHBondContact O-N 3.2Å; R95-H97 PolarHBondContact O-N 3.02Å; H97-L99 HydrophobicContact CB-CD1 3.8Å; H97-D172 IonicContact CE1-OD1 3.11Å; H97-D172 PolarHBondContact CE1-OD1 2.81Å; H97-D172 IonicContact NE2-OD1 3.36Å; H97-D172 PolarHBondContact NE2-OD1 3.28Å; H97-L175 HydrophobicContact CB-CD1 3.36Å; H97-L175 VanDerWaalsContact CD2-CD1 3.5Å; H97-L175 WeakPolarHBondContact CD2-CD1 3.44Å
98	G	97.9	Very high	97.5	Very high	67 Å²	67	60.6 Å²	60.6	69%	0.691	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.3	13.9	177.1	0	0	0	0	0	115	R95 D96	R95-G98 WeakPolarHBondContact O-CA 3.35Å; R95-G98 PolarHBondContact O-N 3.07Å; D96-G98 VanDerWaalsContact C-N 3.32Å
99	L	98.5	Very high	97.3	Very high	11 Å²	11	56 Å²	56	6%	0.058	29%	0.287	C	S	.	.			trans	-78.4	140.2	174.3	-73.9	78.1	0	0	0	111	P35 K36 A38 L94 H97 V101 L175	P35-L99 HydrophobicContact CB-CD2 4.15Å; P35-L99 HydrophobicContact CG-CD2 4.07Å; K36-L99 CarbonylContact O-C 3.59Å; K36-L99 WeakPolarHBondContact O-CA 3.45Å; A38-L99 HydrophobicContact CB-CD2 3.9Å; L94-L99 HydrophobicContact CD2-CD2 4.15Å; L94-L99 WeakPolarHBondContact O-CB 3.36Å; L94-L99 WeakPolarHBondContact O-CD1 3.39Å; L94-L99 PolarHBondContact O-N 3.43Å; H97-L99 HydrophobicContact CB-CD1 3.8Å; L99-V101 HydrophobicContact CB-CG2 4.23Å; L99-L175 HydrophobicContact CD1-CD1 3.93Å; L99-L175 HydrophobicContact CD1-CD2 4.29Å
100	E	98.7	Very high	97.1	Very high	104 Å²	104	53.2 Å²	53.2	49%	0.486	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	124.3	163.2	-174.5	179.6	159.9	0	0	108.9	K36 T37 A38 H102 W116	K36-E100 PolarHBondContact O-N 3.03Å; T37-E100 CarbonylContact C-O 3.52Å; T37-E100 WeakPolarHBondContact CA-O 3.46Å; T37-E100 HydrophobicContact CG2-CB 4.24Å; A38-E100 PolarHBondContact N-O 3.32Å; E100-H102 IonicContact OE1-CE1 2.91Å; E100-H102 IonicContact OE1-NE2 3.95Å; E100-W116 HydrophobicContact CG-CH2 4.37Å; E100-W116 HydrophobicContact CG-CZ2 3.97Å
101	V	98.8	Very high	96.8	Very high	6 Å²	6	54.5 Å²	54.5	4%	0.036	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	120.8	-171	-175.3	0	0	0	0	111.2	A38 I40 K91 L94 R95 L99	A38-V101 HydrophobicContact CB-CG2 4.44Å; A38-V101 WeakPolarHBondContact O-CA 3.04Å; I40-V101 HydrophobicContact CD1-CG1 3.57Å; I40-V101 HydrophobicContact CG1-CG1 3.89Å; K91-V101 HydrophobicContact CG-CG1 4.03Å; L94-V101 HydrophobicContact CB-CG2 3.71Å; L94-V101 HydrophobicContact CD1-CG2 4.5Å; R95-V101 HydrophobicContact CG-CB 4.19Å; R95-V101 HydrophobicContact CG-CG2 3.76Å; L99-V101 HydrophobicContact CB-CG2 4.23Å
102	H	98.6	Very high	96.6	Very high	85 Å²	85	57.6 Å²	57.6	39%	0.394	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	139.4	168.8	-71.1	171.3	0	0	0	110.7	A38 L39 I40 E100 W116	A38-H102 PolarHBondContact O-N 3.24Å; L39-H102 CarbonylContact C-O 3.46Å; L39-H102 HydrophobicContact CD1-CB 4.1Å; I40-H102 PolarHBondContact N-O 3.28Å; E100-H102 IonicContact OE1-CE1 2.91Å; E100-H102 IonicContact OE1-NE2 3.95Å; H102-W116 HydrophobicContact CB-CE3 4.41Å; H102-W116 HydrophobicContact CB-CH2 3.77Å; H102-W116 HydrophobicContact CB-CZ3 3.67Å; H102-W116 AromaticContact CD2-CH2 3.94Å; H102-W116 AromaticContact CE1-CE2 3.63Å; H102-W116 AromaticContact CE1-CH2 3.88Å; H102-W116 AromaticContact CE1-CZ2 3.38Å; H102-W116 WeakPolarHBondContact CE1-CZ2 3.44Å; H102-W116 AromaticContact CG-CH2 3.41Å; H102-W116 VanDerWaalsContact CG-CH2 3.41Å; H102-W116 AromaticContact CG-CZ2 3.76Å; H102-W116 AromaticContact CG-CZ3 3.75Å; H102-W116 AromaticContact ND1-CD2 3.83Å; H102-W116 AromaticContact ND1-CE2 3.52Å; H102-W116 AromaticContact ND1-CE3 3.85Å; H102-W116 AromaticContact ND1-CH2 3.39Å; H102-W116 WeakPolarHBondContact ND1-CH2 3.26Å; H102-W116 AromaticContact ND1-CZ2 3.3Å; H102-W116 VanDerWaalsContact ND1-CZ2 3.3Å; H102-W116 WeakPolarHBondContact ND1-CZ2 3.41Å; H102-W116 AromaticContact ND1-CZ3 3.65Å; H102-W116 AromaticContact NE2-CZ2 3.89Å
103	I	98.6	Very high	96.4	Very high	58 Å²	58	54.6 Å²	54.6	30%	0.297	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	130.1	173.9	-57.2	-178.5	0	0	0	107.1	I40 A42 L87 K91	I40-I103 HydrophobicContact CB-CG1 4.19Å; I40-I103 HydrophobicContact CD1-CG1 4.28Å; I40-I103 WeakPolarHBondContact O-CA 3.45Å; A42-I103 HydrophobicContact CB-CG2 3.88Å; L87-I103 HydrophobicContact CD1-CD1 4.11Å; L87-I103 HydrophobicContact CD1-CG2 4.39Å; L87-I103 HydrophobicContact CD2-CG2 4.36Å; L87-I103 HydrophobicContact CG-CD1 4.22Å; K91-I103 HydrophobicContact CB-CD1 4.13Å; K91-I103 HydrophobicContact CD-CD1 3.68Å; K91-I103 HydrophobicContact CG-CD1 3.95Å
104	V	98	Very high	96.3	Very high	23 Å²	23	54.5 Å²	54.5	14%	0.139	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	153.7	173.2	-62.9	0	0	0	0	109.1	L39 I40 L41 A42 D108 Y109	L39-V104 HydrophobicContact CD1-CB 4.47Å; L39-V104 HydrophobicContact CD1-CG1 3.93Å; L39-V104 HydrophobicContact CD1-CG2 3.75Å; L39-V104 HydrophobicContact CD2-CG2 4.25Å; L39-V104 HydrophobicContact CG-CG2 4.11Å; I40-V104 PolarHBondContact O-N 2.9Å; L41-V104 CarbonylContact C-O 3.58Å; L41-V104 WeakPolarHBondContact CA-O 3.36Å; L41-V104 HydrophobicContact CD1-CG2 4.43Å; A42-V104 PolarHBondContact N-O 3.5Å; V104-D108 HydrophobicContact CB-CB 4.04Å; V104-D108 HydrophobicContact CG1-CB 4.18Å; V104-Y109 HydrophobicContact CG2-CD2 3.8Å
105	D	95.4	Very high	96.1	Very high	42 Å²	42	59.1 Å²	59.1	23%	0.225	31%	0.311	C	S	.	.			trans	-103.7	-175	166.7	77	53	0	0	0	110.9	L44 H107 D108 Y109	L44-D105 HydrophobicContact CD2-CB 3.85Å; L44-D105 HydrophobicContact CG-CB 4.14Å; D105-H107 PolarHBondContact O-N 3.4Å; D105-H107 VanDerWaalsContact O-N 3.12Å; D105-H107 VanDerWaalsContact OD1-CB 3.29Å; D105-H107 WeakPolarHBondContact OD1-CB 3.33Å; D105-H107 IonicContact OD1-CE1 2.69Å; D105-H107 IonicContact OD1-CG 2.7Å; D105-H107 PolarHBondContact OD1-N 3.27Å; D105-H107 IonicContact OD1-ND1 3.59Å; D105-H107 PolarHBondContact OD1-ND1 2.94Å; D105-D108 PolarHBondContact O-N 3.12Å; D105-D108 VanDerWaalsContact O-N 3.12Å; D105-Y109 WeakPolarHBondContact O-CB 3.46Å; D105-Y109 PolarHBondContact O-N 2.96Å
106	R	93	Very high	96	Very high	47 Å²	47	57.4 Å²	57.4	18%	0.177	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-24.6	-178.5	70.3	179	-58.6	132.2	18.9	115.4	L44 L131 K208 P209	L44-R106 HydrophobicContact CD1-CG 3.93Å; R106-L131 HydrophobicContact CB-CD2 3.57Å; R106-K208 VanDerWaalsContact CZ-CB 3.48Å; R106-K208 VanDerWaalsContact NH1-CB 3.29Å; R106-K208 VanDerWaalsContact NH1-CG 3.27Å; R106-K208 PolarHBondContact NH2-O 3.21Å; R106-P209 VanDerWaalsContact CZ-O 3.26Å; R106-P209 PolarHBondContact NE-O 3.44Å; R106-P209 PolarHBondContact NH2-O 2.92Å
107	H	92.3	Very high	96	Very high	94 Å²	94	51 Å²	51	44%	0.435	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-31.3	-179	-58.5	73.9	0	0	0	110.8	L44 D105 N211	L44-H107 WeakPolarHBondContact CD1-CE1 3.49Å; D105-H107 PolarHBondContact O-N 3.4Å; D105-H107 VanDerWaalsContact O-N 3.12Å; D105-H107 VanDerWaalsContact OD1-CB 3.29Å; D105-H107 WeakPolarHBondContact OD1-CB 3.33Å; D105-H107 IonicContact OD1-CE1 2.69Å; D105-H107 IonicContact OD1-CG 2.7Å; D105-H107 PolarHBondContact OD1-N 3.27Å; D105-H107 IonicContact OD1-ND1 3.59Å; D105-H107 PolarHBondContact OD1-ND1 2.94Å; H107-N211 VanDerWaalsContact O-CB 3.29Å; H107-N211 WeakPolarHBondContact O-CB 3.49Å; H107-N211 PolarHBondContact O-ND2 3.07Å
108	D	93.5	Very high	96	Very high	100 Å²	100	50.9 Å²	50.9	54%	0.535	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.1	-7	-177.4	-61.3	-42.6	0	0	0	113	V104 D105 S110	V104-D108 HydrophobicContact CB-CB 4.04Å; V104-D108 HydrophobicContact CG1-CB 4.18Å; D105-D108 PolarHBondContact O-N 3.12Å; D105-D108 VanDerWaalsContact O-N 3.12Å; D108-S110 PolarHBondContact O-N 3.2Å
109	Y	94.9	Very high	96	Very high	1 Å²	1	47.7 Å²	47.7	0%	0.004	24%	0.24	C	C	.	.			trans	-69.8	115.2	177.8	-168.5	-115	0	0	0	111.8	L39 L41 V104 D105 V114 L131 G132 K135 N211	L39-Y109 HydrophobicContact CD2-CD2 4.01Å; L39-Y109 HydrophobicContact CD2-CE2 3.63Å; L41-Y109 HydrophobicContact CB-CD2 4.17Å; L41-Y109 HydrophobicContact CB-CE2 4.21Å; L41-Y109 HydrophobicContact CD1-CD2 3.95Å; L41-Y109 HydrophobicContact CD1-CG 3.89Å; L41-Y109 HydrophobicContact CD2-CD1 4.13Å; L41-Y109 HydrophobicContact CD2-CD2 4.18Å; L41-Y109 HydrophobicContact CD2-CE1 4.18Å; L41-Y109 HydrophobicContact CD2-CE2 4.21Å; L41-Y109 HydrophobicContact CD2-CG 4.14Å; L41-Y109 HydrophobicContact CG-CD2 4.32Å; L41-Y109 HydrophobicContact CG-CG 4.5Å; V104-Y109 HydrophobicContact CG2-CD2 3.8Å; D105-Y109 WeakPolarHBondContact O-CB 3.46Å; D105-Y109 PolarHBondContact O-N 2.96Å; Y109-V114 HydrophobicContact CE1-CG2 4.33Å; Y109-V114 HydrophobicContact CE2-CG2 3.7Å; Y109-V114 VanDerWaalsContact CZ-CG2 3.48Å; Y109-V114 WeakPolarHBondContact OH-CG2 3.36Å; Y109-L131 HydrophobicContact CD1-CD1 4.36Å; Y109-L131 HydrophobicContact CD1-CG 4.2Å; Y109-L131 WeakPolarHBondContact CE1-O 3.5Å; Y109-G132 WeakPolarHBondContact OH-CA 3.28Å; Y109-G132 PolarHBondContact OH-O 3.06Å; Y109-K135 HydrophobicContact CD1-CB 4.49Å; Y109-K135 HydrophobicContact CD1-CD 3.56Å; Y109-K135 HydrophobicContact CD1-CG 4.05Å; Y109-K135 HydrophobicContact CE1-CB 3.73Å; Y109-K135 HydrophobicContact CE1-CD 3.68Å; Y109-K135 HydrophobicContact CE1-CG 3.71Å; Y109-K135 HydrophobicContact CG-CD 4.38Å; Y109-K135 WeakPolarHBondContact O-CE 3.16Å; Y109-K135 PolarHBondContact O-NZ 2.88Å; Y109-N211 WeakPolarHBondContact O-CB 3.38Å
110	S	93.2	Very high	96	Very high	15 Å²	15	47.2 Å²	47.2	11%	0.105	24%	0.237	C	C	.	.			trans	-138.4	163.8	-175.6	69.4	0	0	0	0	112.5	D108 D112 S113 V114	D108-S110 PolarHBondContact O-N 3.2Å; S110-D112 PolarHBondContact O-N 3.25Å; S110-D112 PolarHBondContact OG-N 2.96Å; S110-S113 PolarHBondContact N-OG 3.06Å; S110-S113 PolarHBondContact O-N 2.86Å; S110-S113 VanDerWaalsContact O-N 3.15Å; S110-S113 PolarHBondContact O-OG 2.84Å; S110-S113 PolarHBondContact OG-N 2.77Å; S110-S113 VanDerWaalsContact OG-N 3.13Å; S110-V114 WeakPolarHBondContact O-CG2 3.48Å; S110-V114 PolarHBondContact O-N 3.08Å
111	V	92.6	Very high	96	Very high	27 Å²	27	42.3 Å²	42.3	16%	0.164	21%	0.214	C	C	.	.	H	α-helix	trans	-56.1	-36.2	171.7	167	0	0	0	0	111.5	V114 N115 K135 L137 E216	V111-V114 WeakPolarHBondContact O-CB 3.38Å; V111-V114 PolarHBondContact O-N 3.24Å; V111-N115 WeakPolarHBondContact CG1-ND2 3.45Å; V111-N115 WeakPolarHBondContact O-CB 3.46Å; V111-N115 VanDerWaalsContact O-CG 3.23Å; V111-N115 PolarHBondContact O-N 2.75Å; V111-N115 PolarHBondContact O-ND2 2.89Å; V111-K135 HydrophobicContact CG2-CB 4.15Å; V111-L137 HydrophobicContact CG2-CD1 4.38Å; V111-E216 HydrophobicContact CB-CG 4.32Å; V111-E216 HydrophobicContact CG2-CG 3.7Å; V111-E216 WeakPolarHBondContact CG2-OE1 3.28Å; V111-E216 PolarHBondContact N-OE1 2.88Å
112	D	93.7	Very high	96	Very high	110 Å²	110	42 Å²	42	59%	0.588	21%	0.213	S	C	*	.	H	α-helix	trans	-64.5	-42.6	176.8	-64.6	-31.9	0	0	0	112.2	S110 V114 N115 W116	S110-D112 PolarHBondContact O-N 3.25Å; S110-D112 PolarHBondContact OG-N 2.96Å; D112-V114 VanDerWaalsContact C-N 3.29Å; D112-V114 PolarHBondContact O-N 3.02Å; D112-N115 PolarHBondContact O-N 3.18Å; D112-W116 PolarHBondContact O-N 3.25Å
113	S	94.9	Very high	96	Very high	17 Å²	17	38 Å²	38	12%	0.119	19%	0.194	C	C	.	.	H	α-helix	trans	-62.2	-39.5	175.4	72.7	0	0	0	0	111.5	S110	S110-S113 PolarHBondContact N-OG 3.06Å; S110-S113 PolarHBondContact O-N 2.86Å; S110-S113 VanDerWaalsContact O-N 3.15Å; S110-S113 PolarHBondContact O-OG 2.84Å; S110-S113 PolarHBondContact OG-N 2.77Å; S110-S113 VanDerWaalsContact OG-N 3.13Å
114	V	95.8	Very high	95.9	Very high	3 Å²	3	35.2 Å²	35.2	2%	0.018	18%	0.18	C	C	.	.	H	α-helix	trans	-65.3	-44.4	175.3	173.1	0	0	0	0	110.6	L39 Y109 S110 V111 D112 W116 A117 V120 K135 I136 K141	L39-V114 HydrophobicContact CD2-CG2 4.49Å; Y109-V114 HydrophobicContact CE1-CG2 4.33Å; Y109-V114 HydrophobicContact CE2-CG2 3.7Å; Y109-V114 VanDerWaalsContact CZ-CG2 3.48Å; Y109-V114 WeakPolarHBondContact OH-CG2 3.36Å; S110-V114 WeakPolarHBondContact O-CG2 3.48Å; S110-V114 PolarHBondContact O-N 3.08Å; V111-V114 WeakPolarHBondContact O-CB 3.38Å; V111-V114 PolarHBondContact O-N 3.24Å; D112-V114 VanDerWaalsContact C-N 3.29Å; D112-V114 PolarHBondContact O-N 3.02Å; V114-W116 VanDerWaalsContact C-N 3.32Å; V114-W116 PolarHBondContact O-N 3.28Å; V114-A117 PolarHBondContact O-N 2.87Å; V114-V120 HydrophobicContact CG1-CG2 4.24Å; V114-V120 HydrophobicContact CG2-CG2 4.47Å; V114-K135 HydrophobicContact CG2-CB 3.98Å; V114-I136 HydrophobicContact CG1-CG1 3.88Å; V114-K141 HydrophobicContact CG1-CD 4.26Å; V114-K141 HydrophobicContact CG1-CG 3.99Å; V114-K141 WeakPolarHBondContact O-CE 3.42Å; V114-K141 PolarHBondContact O-NZ 3.43Å
115	N	95.2	Very high	95.8	Very high	98 Å²	98	34.8 Å²	34.8	52%	0.524	18%	0.18	S	C	.	.	H	α-helix	trans	-63.7	-36.5	-179.4	-75.3	-22.6	0	0	0	112.5	V111 D112 A117 K141	V111-N115 WeakPolarHBondContact CG1-ND2 3.45Å; V111-N115 WeakPolarHBondContact O-CB 3.46Å; V111-N115 VanDerWaalsContact O-CG 3.23Å; V111-N115 PolarHBondContact O-N 2.75Å; V111-N115 PolarHBondContact O-ND2 2.89Å; D112-N115 PolarHBondContact O-N 3.18Å; N115-A117 PolarHBondContact O-N 2.99Å; N115-K141 PolarHBondContact O-NZ 3.33Å
116	W	97.1	Very high	95.8	Very high	83 Å²	83	34.8 Å²	34.8	31%	0.314	18%	0.18	S	C	.	.	H	α-helix	trans	-61.4	-36.8	177.2	168.9	85.2	0	0	0	113.9	T37 L39 E100 H102 D112 V114	T37-W116 HydrophobicContact CG2-CH2 4.27Å; T37-W116 HydrophobicContact CG2-CZ2 3.83Å; T37-W116 PolarHBondContact OG1-O 3.41Å; T37-W116 VanDerWaalsContact OG1-O 3.11Å; L39-W116 HydrophobicContact CB-CE3 4.48Å; L39-W116 HydrophobicContact CB-CZ3 4.32Å; E100-W116 HydrophobicContact CG-CH2 4.37Å; E100-W116 HydrophobicContact CG-CZ2 3.97Å; H102-W116 HydrophobicContact CB-CE3 4.41Å; H102-W116 HydrophobicContact CB-CH2 3.77Å; H102-W116 HydrophobicContact CB-CZ3 3.67Å; H102-W116 AromaticContact CD2-CH2 3.94Å; H102-W116 AromaticContact CE1-CE2 3.63Å; H102-W116 AromaticContact CE1-CH2 3.88Å; H102-W116 AromaticContact CE1-CZ2 3.38Å; H102-W116 WeakPolarHBondContact CE1-CZ2 3.44Å; H102-W116 AromaticContact CG-CH2 3.41Å; H102-W116 VanDerWaalsContact CG-CH2 3.41Å; H102-W116 AromaticContact CG-CZ2 3.76Å; H102-W116 AromaticContact CG-CZ3 3.75Å; H102-W116 AromaticContact ND1-CD2 3.83Å; H102-W116 AromaticContact ND1-CE2 3.52Å; H102-W116 AromaticContact ND1-CE3 3.85Å; H102-W116 AromaticContact ND1-CH2 3.39Å; H102-W116 WeakPolarHBondContact ND1-CH2 3.26Å; H102-W116 AromaticContact ND1-CZ2 3.3Å; H102-W116 VanDerWaalsContact ND1-CZ2 3.3Å; H102-W116 WeakPolarHBondContact ND1-CZ2 3.41Å; H102-W116 AromaticContact ND1-CZ3 3.65Å; H102-W116 AromaticContact NE2-CZ2 3.89Å; D112-W116 PolarHBondContact O-N 3.25Å; V114-W116 VanDerWaalsContact C-N 3.32Å; V114-W116 PolarHBondContact O-N 3.28Å
117	A	97.5	Very high	95.8	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.008	20%	0.198	C	C	.	.			trans	-89.6	142	-173.6	0	0	0	0	0	113.8	T37 L39 V114 N115 V119 K141	T37-A117 VanDerWaalsContact OG1-CA 3.31Å; T37-A117 WeakPolarHBondContact OG1-CA 3.29Å; L39-A117 HydrophobicContact CB-CB 3.52Å; V114-A117 PolarHBondContact O-N 2.87Å; N115-A117 PolarHBondContact O-N 2.99Å; A117-V119 VanDerWaalsContact C-N 3.27Å; A117-V119 WeakPolarHBondContact CB-O 3.46Å; A117-V119 PolarHBondContact O-N 2.96Å; A117-K141 WeakPolarHBondContact O-CD 3.29Å; A117-K141 PolarHBondContact O-NZ 3.47Å
118	D	97.3	Very high	96	Very high	77 Å²	77	31.5 Å²	31.5	41%	0.412	18%	0.183	S	C	.	.	S	Bend	trans	-69.8	-28.5	169.3	-64.4	-45.5	0	0	0	112	P35 K36 T37 P142	P35-D118 HydrophobicContact CB-CB 3.72Å; K36-D118 WeakPolarHBondContact CA-OD2 3.28Å; K36-D118 PolarHBondContact N-OD2 3.45Å; T37-D118 PolarHBondContact N-OD2 3.36Å; T37-D118 VanDerWaalsContact N-OD2 3.1Å; T37-D118 PolarHBondContact O-N 3.46Å; T37-D118 PolarHBondContact OG1-N 3.48Å; T37-D118 PolarHBondContact OG1-OD2 2.99Å; D118-P142 WeakPolarHBondContact O-CD 3.44Å
119	V	97.9	Very high	96.2	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	140	179.9	57	0	0	0	0	111.2	F33 P35 T37 A38 L39 A117 F121 P142 I144	F33-V119 HydrophobicContact CE2-CB 4.33Å; F33-V119 HydrophobicContact CE2-CG2 4.12Å; F33-V119 HydrophobicContact CZ-CG2 4.42Å; P35-V119 HydrophobicContact CB-CB 4.24Å; P35-V119 HydrophobicContact CB-CG1 3.56Å; P35-V119 HydrophobicContact CG-CG1 4.01Å; T37-V119 PolarHBondContact O-N 2.99Å; A38-V119 WeakPolarHBondContact CA-O 3.36Å; A38-V119 HydrophobicContact CB-CG1 3.91Å; L39-V119 PolarHBondContact N-O 3.49Å; A117-V119 VanDerWaalsContact C-N 3.27Å; A117-V119 WeakPolarHBondContact CB-O 3.46Å; A117-V119 PolarHBondContact O-N 2.96Å; V119-F121 HydrophobicContact CB-CE2 4.37Å; V119-F121 HydrophobicContact CG1-CD2 4.17Å; V119-F121 HydrophobicContact CG1-CE2 3.65Å; V119-F121 HydrophobicContact CG2-CD2 4.07Å; V119-F121 HydrophobicContact CG2-CE2 3.73Å; V119-F121 HydrophobicContact CG2-CZ 4.36Å; V119-P142 HydrophobicContact CG2-CB 4.14Å; V119-I144 HydrophobicContact CG2-CD1 3.93Å; V119-I144 HydrophobicContact CG2-CG1 4.16Å
120	V	98.5	Very high	96.3	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	126.2	172.7	-179.2	0	0	0	0	109.3	L39 V114 I136 K141 P142 I143 I144	L39-V120 CarbonylContact O-C 3.6Å; L39-V120 WeakPolarHBondContact O-CA 3.49Å; V114-V120 HydrophobicContact CG1-CG2 4.24Å; V114-V120 HydrophobicContact CG2-CG2 4.47Å; V120-I136 HydrophobicContact CB-CD1 4.33Å; V120-I136 HydrophobicContact CG2-CD1 4.25Å; V120-K141 HydrophobicContact CG2-CD 4.34Å; V120-K141 HydrophobicContact CG2-CG 4.23Å; V120-P142 PolarHBondContact N-O 2.96Å; V120-I143 HydrophobicContact CB-CG1 4.35Å; V120-I143 HydrophobicContact CG1-CD1 4.43Å; V120-I143 HydrophobicContact CG1-CG1 4.29Å; V120-I143 CarbonylContact O-C 3.56Å; V120-I143 VanDerWaalsContact O-CA 3.23Å; V120-I143 WeakPolarHBondContact O-CA 3.42Å; V120-I144 PolarHBondContact O-N 3.44Å
121	F	98.7	Very high	96.4	Very high	2 Å²	2	28.4 Å²	28.4	1%	0.009	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	143.8	166.3	-74.5	-95.8	0	0	0	109.4	A38 L39 I40 L41 L90 L94 V119 I144 I171 L174	A38-F121 HydrophobicContact CB-CD2 4.21Å; A38-F121 HydrophobicContact CB-CE2 4.26Å; L39-F121 PolarHBondContact O-N 3.28Å; I40-F121 CarbonylContact C-O 3.57Å; I40-F121 WeakPolarHBondContact CA-O 3.41Å; I40-F121 HydrophobicContact CG1-CB 4.17Å; I40-F121 HydrophobicContact CG2-CB 4.44Å; L41-F121 PolarHBondContact N-O 2.82Å; L90-F121 HydrophobicContact CD1-CD1 4.36Å; L90-F121 HydrophobicContact CD2-CB 4.48Å; L94-F121 HydrophobicContact CD1-CD2 4.11Å; L94-F121 HydrophobicContact CD1-CE2 4.08Å; L94-F121 HydrophobicContact CD1-CG 4.49Å; L94-F121 HydrophobicContact CD1-CZ 4.45Å; L94-F121 HydrophobicContact CD2-CE2 3.83Å; L94-F121 HydrophobicContact CD2-CZ 3.78Å; V119-F121 HydrophobicContact CB-CE2 4.37Å; V119-F121 HydrophobicContact CG1-CD2 4.17Å; V119-F121 HydrophobicContact CG1-CE2 3.65Å; V119-F121 HydrophobicContact CG2-CD2 4.07Å; V119-F121 HydrophobicContact CG2-CE2 3.73Å; V119-F121 HydrophobicContact CG2-CZ 4.36Å; F121-I144 CarbonylContact C-O 3.5Å; F121-I144 VanDerWaalsContact CA-O 3.26Å; F121-I144 WeakPolarHBondContact CA-O 3.22Å; F121-I144 HydrophobicContact CD1-CB 3.77Å; F121-I144 HydrophobicContact CD1-CG2 3.94Å; F121-I144 HydrophobicContact CE1-CB 3.77Å; F121-I144 HydrophobicContact CE1-CD1 3.95Å; F121-I144 HydrophobicContact CE1-CG1 4.4Å; F121-I144 HydrophobicContact CE1-CG2 3.72Å; F121-I144 HydrophobicContact CG-CB 4.43Å; F121-I144 HydrophobicContact CZ-CB 4.41Å; F121-I144 HydrophobicContact CZ-CD1 3.85Å; F121-I171 HydrophobicContact CE1-CD1 4.12Å; F121-I171 HydrophobicContact CZ-CD1 4.34Å; F121-L174 HydrophobicContact CE1-CD1 3.97Å; F121-L174 HydrophobicContact CZ-CD1 4.27Å
122	T	98.6	Very high	96.6	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	122.6	169.1	69.2	0	0	0	0	109.8	L41 I143 I144 G145 F146	L41-T122 HydrophobicContact CB-CG2 4.35Å; L41-T122 HydrophobicContact CD2-CG2 4.4Å; L41-T122 CarbonylContact O-C 3.48Å; L41-T122 WeakPolarHBondContact O-CA 3.35Å; T122-I143 HydrophobicContact CG2-CD1 3.88Å; T122-I143 HydrophobicContact CG2-CG1 4.2Å; T122-I144 PolarHBondContact N-O 2.95Å; T122-G145 WeakPolarHBondContact OG1-CA 3.46Å; T122-F146 WeakPolarHBondContact O-CA 3.16Å; T122-F146 PolarHBondContact O-N 3.46Å
123	A	98.4	Very high	96.8	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	94.3	177.4	0	0	0	0	0	109.7	I40 L41 K43 H83 L87 L90 T148	I40-A123 HydrophobicContact CG2-CB 3.78Å; L41-A123 PolarHBondContact O-N 2.84Å; K43-A123 PolarHBondContact N-O 3.21Å; H83-A123 PolarHBondContact CE1-O 3.21Å; H83-A123 VanDerWaalsContact CE1-O 3.28Å; L87-A123 HydrophobicContact CD1-CB 3.65Å; L90-A123 HydrophobicContact CD2-CB 4.43Å; A123-T148 HydrophobicContact CB-CG2 3.83Å
124	G	97.3	Very high	96.7	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	14%	0.135	C	C	.	.	S	Bend	trans	164.2	-159.9	-175.1	0	0	0	0	0	113.2	F146 N147	G124-F146 PolarHBondContact N-O 3.48Å; G124-N147 VanDerWaalsContact O-CA 3.29Å; G124-N147 WeakPolarHBondContact O-CA 3.5Å
125	G	95.6	Very high	96.6	Very high	13 Å²	13	23.1 Å²	23.1	13%	0.134	14%	0.136	C	C	.	.	S	Bend	trans	-91.8	-166.3	176.1	0	0	0	0	0	112.4	G127 T128 F129	G125-G127 VanDerWaalsContact C-N 3.28Å; G125-G127 PolarHBondContact O-N 3.28Å; G125-T128 WeakPolarHBondContact O-CB 3.46Å; G125-T128 PolarHBondContact O-N 3.19Å; G125-F129 PolarHBondContact O-N 3.35Å; G125-F129 VanDerWaalsContact O-N 3.13Å
126	D	94.9	Very high	96.6	Very high	43 Å²	43	18.5 Å²	18.5	23%	0.23	11%	0.111	C	C	.	.	H	α-helix	trans	-57.9	-37.4	-178.3	-61.9	-40.8	0	0	0	112.9	T128 F129 L130 G155 F156 L157	D126-T128 VanDerWaalsContact C-N 3.26Å; D126-T128 PolarHBondContact O-N 2.87Å; D126-F129 WeakPolarHBondContact O-CB 3.5Å; D126-F129 PolarHBondContact O-N 3.02Å; D126-F129 VanDerWaalsContact O-N 3.11Å; D126-L130 WeakPolarHBondContact O-CG 3.39Å; D126-L130 PolarHBondContact O-N 3.15Å; D126-G155 VanDerWaalsContact OD1-CA 3.28Å; D126-G155 WeakPolarHBondContact OD1-CA 3.3Å; D126-F156 VanDerWaalsContact CG-N 3.34Å; D126-F156 PolarHBondContact OD1-N 3.02Å; D126-F156 PolarHBondContact OD2-N 2.89Å; D126-F156 VanDerWaalsContact OD2-N 3.08Å; D126-L157 HydrophobicContact CB-CD1 4.23Å; D126-L157 HydrophobicContact CB-CG 4.34Å; D126-L157 WeakPolarHBondContact OD1-CB 3.47Å; D126-L157 PolarHBondContact OD1-N 2.74Å
127	G	94.2	Very high	96.3	Very high	55 Å²	55	17.8 Å²	17.8	57%	0.567	11%	0.114	S	C	*	.	H	α-helix	trans	-62.8	-30.6	175.7	0	0	0	0	0	114	G125 L131	G125-G127 VanDerWaalsContact C-N 3.28Å; G125-G127 PolarHBondContact O-N 3.28Å; G127-L131 PolarHBondContact O-N 2.53Å
128	T	96.2	Very high	95.6	Very high	17 Å²	17	23.8 Å²	23.8	10%	0.104	14%	0.141	C	C	.	.	H	α-helix	trans	-75.9	-37.1	174.2	-48.7	0	0	0	0	110.6	L41 K43 G125 D126 L131 G132	L41-T128 HydrophobicContact CD2-CG2 4.28Å; L41-T128 HydrophobicContact CG-CG2 4.01Å; K43-T128 HydrophobicContact CB-CG2 4.14Å; K43-T128 VanDerWaalsContact CB-OG1 3.25Å; K43-T128 WeakPolarHBondContact CB-OG1 3.48Å; G125-T128 WeakPolarHBondContact O-CB 3.46Å; G125-T128 PolarHBondContact O-N 3.19Å; D126-T128 VanDerWaalsContact C-N 3.26Å; D126-T128 PolarHBondContact O-N 2.87Å; T128-L131 PolarHBondContact O-N 3.07Å; T128-G132 PolarHBondContact O-N 3Å
129	F	97.7	Very high	95.2	Very high	2 Å²	2	21.5 Å²	21.5	1%	0.009	13%	0.131	C	C	.	.	H	α-helix	trans	-61	-47.7	173.2	-169.5	-81.6	0	0	0	111.8	G125 D126 L131 G132 A133 I143 L157 L251 L431	G125-F129 PolarHBondContact O-N 3.35Å; G125-F129 VanDerWaalsContact O-N 3.13Å; D126-F129 WeakPolarHBondContact O-CB 3.5Å; D126-F129 PolarHBondContact O-N 3.02Å; D126-F129 VanDerWaalsContact O-N 3.11Å; F129-L131 VanDerWaalsContact C-N 3.34Å; F129-L131 PolarHBondContact O-N 3.41Å; F129-G132 CarbonylContact O-C 3.57Å; F129-G132 WeakPolarHBondContact O-CA 3.45Å; F129-G132 PolarHBondContact O-N 3.48Å; F129-A133 PolarHBondContact O-N 3.38Å; F129-I143 HydrophobicContact CE2-CD1 4.3Å; F129-I143 HydrophobicContact CE2-CG1 4.07Å; F129-I143 HydrophobicContact CE2-CG2 4.36Å; F129-I143 HydrophobicContact CZ-CD1 4.29Å; F129-I143 HydrophobicContact CZ-CG1 4.27Å; F129-I143 HydrophobicContact CZ-CG2 3.85Å; F129-L157 HydrophobicContact CB-CB 4.02Å; F129-L157 HydrophobicContact CB-CD1 4.22Å; F129-L157 HydrophobicContact CD1-CB 3.66Å; F129-L157 HydrophobicContact CD1-CD1 3.61Å; F129-L157 HydrophobicContact CD1-CG 4.23Å; F129-L157 HydrophobicContact CD2-CB 4.12Å; F129-L157 HydrophobicContact CE1-CB 4.14Å; F129-L157 HydrophobicContact CE1-CD1 4.36Å; F129-L157 HydrophobicContact CG-CB 3.64Å; F129-L157 HydrophobicContact CG-CD1 4.15Å; F129-L251 HydrophobicContact CD1-CD2 3.86Å; F129-L251 HydrophobicContact CE1-CD2 3.54Å; F129-L431 HydrophobicContact CE1-CD2 3.98Å; F129-L431 HydrophobicContact CZ-CD2 4.35Å
130	L	96.9	Very high	94.9	Very high	22 Å²	22	27.5 Å²	27.5	12%	0.115	16%	0.162	C	C	.	.	H	α-helix	trans	-60.7	-41.7	177.9	-68.1	168.8	0	0	0	111.8	D126 G132 A133 S134 L157 L251 D408	D126-L130 WeakPolarHBondContact O-CG 3.39Å; D126-L130 PolarHBondContact O-N 3.15Å; L130-G132 VanDerWaalsContact C-N 3.33Å; L130-G132 PolarHBondContact O-N 3.19Å; L130-A133 PolarHBondContact O-N 2.81Å; L130-S134 PolarHBondContact O-N 2.97Å; L130-S134 VanDerWaalsContact O-N 3.07Å; L130-L157 HydrophobicContact CD2-CD1 3.84Å; L130-L157 HydrophobicContact CG-CD1 3.95Å; L130-L251 HydrophobicContact CD2-CB 4Å; L130-L251 HydrophobicContact CD2-CD2 3.97Å; L130-L251 HydrophobicContact CD2-CG 4.34Å; L130-D408 HydrophobicContact CD1-CB 4.34Å; L130-D408 HydrophobicContact CD2-CB 4.11Å
131	L	95.5	Very high	94.7	Very high	27 Å²	27	29.1 Å²	29.1	14%	0.141	17%	0.169	C	C	.	.	H	α-helix	trans	-62.6	-40.6	172.4	179.3	60.8	0	0	0	111.6	L41 R106 Y109 G127 T128 F129 S134 I210	L41-L131 HydrophobicContact CD1-CD2 4.32Å; L41-L131 HydrophobicContact CD2-CB 4.04Å; L41-L131 HydrophobicContact CD2-CD2 4.07Å; L41-L131 HydrophobicContact CD2-CG 3.82Å; R106-L131 HydrophobicContact CB-CD2 3.57Å; Y109-L131 HydrophobicContact CD1-CD1 4.36Å; Y109-L131 HydrophobicContact CD1-CG 4.2Å; Y109-L131 WeakPolarHBondContact CE1-O 3.5Å; G127-L131 PolarHBondContact O-N 2.53Å; T128-L131 PolarHBondContact O-N 3.07Å; F129-L131 VanDerWaalsContact C-N 3.34Å; F129-L131 PolarHBondContact O-N 3.41Å; L131-S134 PolarHBondContact O-N 3.07Å; L131-S134 PolarHBondContact O-OG 3.2Å; L131-I210 HydrophobicContact CD1-CG2 4.4Å
132	G	96.8	Very high	94.6	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-59.7	-46.7	174.3	0	0	0	0	0	112	Y109 T128 F129 L130 S134	Y109-G132 WeakPolarHBondContact OH-CA 3.28Å; Y109-G132 PolarHBondContact OH-O 3.06Å; T128-G132 PolarHBondContact O-N 3Å; F129-G132 CarbonylContact O-C 3.57Å; F129-G132 WeakPolarHBondContact O-CA 3.45Å; F129-G132 PolarHBondContact O-N 3.48Å; L130-G132 VanDerWaalsContact C-N 3.33Å; L130-G132 PolarHBondContact O-N 3.19Å; G132-S134 VanDerWaalsContact C-N 3.28Å; G132-S134 PolarHBondContact O-N 3.22Å
133	A	97.2	Very high	94.6	Very high	2 Å²	2	29.4 Å²	29.4	2%	0.017	17%	0.172	C	C	.	.	H	α-helix	trans	-64	-30.3	-179.6	0	0	0	0	0	113.5	F129 L130 K135 I136 I143 R186 L251 L431	F129-A133 PolarHBondContact O-N 3.38Å; L130-A133 PolarHBondContact O-N 2.81Å; A133-K135 PolarHBondContact O-N 3.28Å; A133-I136 PolarHBondContact O-N 3.15Å; A133-I143 HydrophobicContact CB-CD1 4.43Å; A133-R186 PolarHBondContact O-NH1 2.98Å; A133-L251 HydrophobicContact CB-CD2 4.15Å; A133-L431 HydrophobicContact CB-CD1 4.42Å; A133-L431 HydrophobicContact CB-CD2 3.6Å
134	S	94.1	Very high	94.6	Very high	33 Å²	33	29.5 Å²	29.5	23%	0.231	17%	0.172	C	C	.	.	H	α-helix	trans	-66.1	-22.1	-170.7	74.4	0	0	0	0	114.6	L130 L131 G132	L130-S134 PolarHBondContact O-N 2.97Å; L130-S134 VanDerWaalsContact O-N 3.07Å; L131-S134 PolarHBondContact O-N 3.07Å; L131-S134 PolarHBondContact O-OG 3.2Å; G132-S134 VanDerWaalsContact C-N 3.28Å; G132-S134 PolarHBondContact O-N 3.22Å
135	K	92.9	Very high	94.6	Very high	10 Å²	10	29.6 Å²	29.6	4%	0.043	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.3	4	178.8	-59.4	-167.9	-178.1	-109.6	0	114.1	Y109 V111 V114 A133 L137 N211 E216	Y109-K135 HydrophobicContact CD1-CB 4.49Å; Y109-K135 HydrophobicContact CD1-CD 3.56Å; Y109-K135 HydrophobicContact CD1-CG 4.05Å; Y109-K135 HydrophobicContact CE1-CB 3.73Å; Y109-K135 HydrophobicContact CE1-CD 3.68Å; Y109-K135 HydrophobicContact CE1-CG 3.71Å; Y109-K135 HydrophobicContact CG-CD 4.38Å; Y109-K135 WeakPolarHBondContact O-CE 3.16Å; Y109-K135 PolarHBondContact O-NZ 2.88Å; V111-K135 HydrophobicContact CG2-CB 4.15Å; V114-K135 HydrophobicContact CG2-CB 3.98Å; A133-K135 PolarHBondContact O-N 3.28Å; K135-L137 PolarHBondContact O-N 3Å; K135-N211 PolarHBondContact NZ-O 3.24Å; K135-E216 IonicContact NZ-OE1 2.97Å; K135-E216 PolarHBondContact NZ-OE1 3.02Å; K135-E216 IonicContact NZ-OE2 3.03Å; K135-E216 PolarHBondContact NZ-OE2 2.65Å
136	I	94.8	Very high	94.7	Very high	1 Å²	1	29 Å²	29	1%	0.005	17%	0.167	C	C	.	.			trans	-88.8	100.5	174.1	-67.4	173.1	0	0	0	108.5	V114 V120 A133 H138 K141 I143 R186 L431	V114-I136 HydrophobicContact CG1-CG1 3.88Å; V120-I136 HydrophobicContact CB-CD1 4.33Å; V120-I136 HydrophobicContact CG2-CD1 4.25Å; A133-I136 PolarHBondContact O-N 3.15Å; I136-H138 WeakPolarHBondContact CG2-O 3.23Å; I136-K141 HydrophobicContact CD1-CG 4.23Å; I136-K141 HydrophobicContact CG1-CG 4.12Å; I136-K141 HydrophobicContact CG2-CB 3.81Å; I136-K141 HydrophobicContact CG2-CG 4.27Å; I136-I143 HydrophobicContact CD1-CB 3.68Å; I136-I143 HydrophobicContact CD1-CD1 3.88Å; I136-I143 HydrophobicContact CD1-CG1 4.22Å; I136-I143 HydrophobicContact CD1-CG2 4.24Å; I136-R186 PolarHBondContact O-NH1 2.98Å; I136-R186 PolarHBondContact O-NH2 3.1Å; I136-L431 HydrophobicContact CB-CD1 3.95Å; I136-L431 HydrophobicContact CD1-CD1 3.99Å; I136-L431 HydrophobicContact CG2-CD1 3.72Å
137	L	90.3	Very high	94.8	Very high	69 Å²	69	27.2 Å²	27.2	36%	0.361	16%	0.157	S	C	.	.			trans	-89.6	-10.2	-173.7	-56.3	-177.9	0	0	0	114	V111 K135	V111-L137 HydrophobicContact CG2-CD1 4.38Å; K135-L137 PolarHBondContact O-N 3Å
138	H	84.7	Confident	95	Very high	127 Å²	127	24.6 Å²	24.6	59%	0.588	13%	0.131	S	C	*	.	S	Bend	trans	-130.9	146.9	-175.6	-59.1	-56.3	0	0	0	111.9	I136 N140	I136-H138 WeakPolarHBondContact CG2-O 3.23Å; H138-N140 PolarHBondContact O-N 3.39Å; H138-N140 VanDerWaalsContact O-N 3.13Å
139	P	88.6	Confident	94.9	Very high	29 Å²	29	24 Å²	24	19%	0.188	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-9.8	-175.8	28.3	-35.3	0	0	0	113.6	W183 S428 A430 C432	P139-W183 HydrophobicContact CB-CZ3 4Å; P139-W183 WeakPolarHBondContact O-CZ3 3.23Å; P139-S428 WeakPolarHBondContact CD-O 3.28Å; P139-A430 WeakPolarHBondContact CA-O 3.47Å; P139-A430 WeakPolarHBondContact CB-O 3.34Å; P139-C432 WeakPolarHBondContact O-CB 3.03Å; P139-C432 PolarHBondContact O-SG 3.29Å
140	N	90.2	Very high	94.6	Very high	125 Å²	125	25.1 Å²	25.1	67%	0.668	13%	0.134	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.5	3.8	-175.5	-65.2	-13.3	0	0	0	114.1	H138 P142	H138-N140 PolarHBondContact O-N 3.39Å; H138-N140 VanDerWaalsContact O-N 3.13Å; N140-P142 WeakPolarHBondContact O-CD 3.34Å
141	K	95.1	Very high	94.2	Very high	34 Å²	34	29.2 Å²	29.2	15%	0.148	16%	0.164	C	C	.	.	S	Bend	trans	-104.1	103.9	179.3	-176.3	71.4	54.7	156	0	110.1	V114 N115 A117 V120 I136 C432	V114-K141 HydrophobicContact CG1-CD 4.26Å; V114-K141 HydrophobicContact CG1-CG 3.99Å; V114-K141 WeakPolarHBondContact O-CE 3.42Å; V114-K141 PolarHBondContact O-NZ 3.43Å; N115-K141 PolarHBondContact O-NZ 3.33Å; A117-K141 WeakPolarHBondContact O-CD 3.29Å; A117-K141 PolarHBondContact O-NZ 3.47Å; V120-K141 HydrophobicContact CG2-CD 4.34Å; V120-K141 HydrophobicContact CG2-CG 4.23Å; I136-K141 HydrophobicContact CD1-CG 4.23Å; I136-K141 HydrophobicContact CG1-CG 4.12Å; I136-K141 HydrophobicContact CG2-CB 3.81Å; I136-K141 HydrophobicContact CG2-CG 4.27Å; K141-C432 PolarHBondContact O-SG 2.8Å; K141-C432 VanDerWaalsContact O-SG 3.34Å
142	P	97.1	Very high	93.7	Very high	8 Å²	8	33.3 Å²	33.3	5%	0.052	18%	0.182	C	C	.	.			trans	-63	137.4	178.7	-23.6	35.8	0	0	0	112.1	F33 D118 V119 V120 N140 W181 C432	F33-P142 HydrophobicContact CD2-CG 4.29Å; F33-P142 HydrophobicContact CE2-CB 4.22Å; F33-P142 HydrophobicContact CE2-CG 4.37Å; D118-P142 WeakPolarHBondContact O-CD 3.44Å; V119-P142 HydrophobicContact CG2-CB 4.14Å; V120-P142 PolarHBondContact N-O 2.96Å; N140-P142 WeakPolarHBondContact O-CD 3.34Å; P142-W181 HydrophobicContact CB-CH2 4.2Å; P142-W181 HydrophobicContact CB-CZ3 4.08Å; P142-W181 HydrophobicContact CG-CH2 3.85Å; P142-W181 HydrophobicContact CG-CZ3 4.1Å; P142-C432 WeakPolarHBondContact CA-O 3.36Å; P142-C432 WeakPolarHBondContact CA-SG 3.35Å; P142-C432 VanDerWaalsContact N-SG 3.38Å
143	I	98.2	Very high	93	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	135.3	168.6	-172.6	169.7	0	0	0	111.1	V120 T122 F129 A133 I136 L431 C432	V120-I143 HydrophobicContact CB-CG1 4.35Å; V120-I143 HydrophobicContact CG1-CD1 4.43Å; V120-I143 HydrophobicContact CG1-CG1 4.29Å; V120-I143 CarbonylContact O-C 3.56Å; V120-I143 VanDerWaalsContact O-CA 3.23Å; V120-I143 WeakPolarHBondContact O-CA 3.42Å; T122-I143 HydrophobicContact CG2-CD1 3.88Å; T122-I143 HydrophobicContact CG2-CG1 4.2Å; F129-I143 HydrophobicContact CE2-CD1 4.3Å; F129-I143 HydrophobicContact CE2-CG1 4.07Å; F129-I143 HydrophobicContact CE2-CG2 4.36Å; F129-I143 HydrophobicContact CZ-CD1 4.29Å; F129-I143 HydrophobicContact CZ-CG1 4.27Å; F129-I143 HydrophobicContact CZ-CG2 3.85Å; A133-I143 HydrophobicContact CB-CD1 4.43Å; I136-I143 HydrophobicContact CD1-CB 3.68Å; I136-I143 HydrophobicContact CD1-CD1 3.88Å; I136-I143 HydrophobicContact CD1-CG1 4.22Å; I136-I143 HydrophobicContact CD1-CG2 4.24Å; I143-L431 HydrophobicContact CG2-CD1 3.77Å; I143-L431 HydrophobicContact CG2-CD2 3.76Å; I143-L431 HydrophobicContact CG2-CG 3.62Å; I143-C432 PolarHBondContact N-O 3.21Å
144	I	98.3	Very high	92.4	Very high	2 Å²	2	42.1 Å²	42.1	1%	0.01	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	113	-176.2	-53.7	-178.3	0	0	0	109.3	F33 V119 V120 F121 T122 L159 L174 V434	F33-I144 HydrophobicContact CE2-CD1 4.29Å; F33-I144 HydrophobicContact CZ-CD1 3.87Å; V119-I144 HydrophobicContact CG2-CD1 3.93Å; V119-I144 HydrophobicContact CG2-CG1 4.16Å; V120-I144 PolarHBondContact O-N 3.44Å; F121-I144 CarbonylContact C-O 3.5Å; F121-I144 VanDerWaalsContact CA-O 3.26Å; F121-I144 WeakPolarHBondContact CA-O 3.22Å; F121-I144 HydrophobicContact CD1-CB 3.77Å; F121-I144 HydrophobicContact CD1-CG2 3.94Å; F121-I144 HydrophobicContact CE1-CB 3.77Å; F121-I144 HydrophobicContact CE1-CD1 3.95Å; F121-I144 HydrophobicContact CE1-CG1 4.4Å; F121-I144 HydrophobicContact CE1-CG2 3.72Å; F121-I144 HydrophobicContact CG-CB 4.43Å; F121-I144 HydrophobicContact CZ-CB 4.41Å; F121-I144 HydrophobicContact CZ-CD1 3.85Å; T122-I144 PolarHBondContact N-O 2.95Å; I144-L159 HydrophobicContact CG2-CD1 3.58Å; I144-L159 HydrophobicContact CG2-CD2 4.28Å; I144-L159 HydrophobicContact CG2-CG 3.9Å; I144-L174 HydrophobicContact CD1-CD1 4.07Å; I144-L174 HydrophobicContact CD1-CD2 4.17Å; I144-L174 HydrophobicContact CG2-CD1 4.1Å; I144-V434 HydrophobicContact CB-CG2 4.36Å; I144-V434 HydrophobicContact CD1-CG1 4.23Å; I144-V434 HydrophobicContact CD1-CG2 3.98Å; I144-V434 HydrophobicContact CG1-CG1 4.28Å; I144-V434 HydrophobicContact CG1-CG2 3.79Å; I144-V434 HydrophobicContact CG2-CG2 3.89Å
145	G	98.1	Very high	92	Very high	3 Å²	3	40.8 Å²	40.8	3%	0.031	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	129.1	179.8	0	0	0	0	0	112.6	T122 C158 L159	T122-G145 WeakPolarHBondContact OG1-CA 3.46Å; G145-C158 CarbonylContact O-C 3.6Å; G145-C158 WeakPolarHBondContact O-CA 3.39Å; G145-C158 WeakPolarHBondContact O-CB 3.25Å; G145-L159 WeakPolarHBondContact O-CB 3.48Å; G145-L159 VanDerWaalsContact O-CG 3.28Å; G145-L159 WeakPolarHBondContact O-CG 3.31Å; G145-L159 PolarHBondContact O-N 3.1Å
146	F	97.3	Very high	91.9	Very high	1 Å²	1	45.9 Å²	45.9	0%	0.004	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	109.1	176.6	-158.8	-91.2	0	0	0	110.5	L90 T122 G124 T148 L159 C163 T164 V167	L90-F146 HydrophobicContact CD1-CD2 4.35Å; L90-F146 HydrophobicContact CD1-CG 4.5Å; L90-F146 HydrophobicContact CD2-CB 3.99Å; L90-F146 HydrophobicContact CD2-CD1 4.31Å; L90-F146 HydrophobicContact CD2-CG 4.08Å; T122-F146 WeakPolarHBondContact O-CA 3.16Å; T122-F146 PolarHBondContact O-N 3.46Å; G124-F146 PolarHBondContact N-O 3.48Å; F146-T148 HydrophobicContact CD1-CG2 4.49Å; F146-T148 PolarHBondContact O-N 3.22Å; F146-L159 HydrophobicContact CD2-CD1 4.28Å; F146-C163 HydrophobicContact CE2-CB 4.16Å; F146-C163 VanDerWaalsContact CZ-O 3.29Å; F146-C163 WeakPolarHBondContact CZ-O 3.49Å; F146-T164 HydrophobicContact CE1-CG2 4.11Å; F146-T164 VanDerWaalsContact CZ-CA 3.45Å; F146-V167 HydrophobicContact CE1-CG2 3.89Å; F146-V167 HydrophobicContact CE2-CG2 4.38Å; F146-V167 HydrophobicContact CZ-CB 4.23Å; F146-V167 HydrophobicContact CZ-CG1 4.37Å; F146-V167 HydrophobicContact CZ-CG2 3.4Å
147	N	96.7	Very high	92	Very high	4 Å²	4	46.3 Å²	46.3	2%	0.021	24%	0.242	C	C	.	.			trans	-76.4	104.5	179	-174.2	-5.1	0	0	0	110.9	G124 D149 S153 H154 C158 T164	G124-N147 VanDerWaalsContact O-CA 3.29Å; G124-N147 WeakPolarHBondContact O-CA 3.5Å; N147-D149 PolarHBondContact O-N 3.35Å; N147-D149 PolarHBondContact OD1-N 2.82Å; N147-S153 PolarHBondContact ND2-O 2.92Å; N147-H154 PolarHBondContact ND2-O 3.44Å; N147-C158 HydrophobicContact CB-CB 3.96Å; N147-T164 WeakPolarHBondContact O-CB 3.23Å; N147-T164 WeakPolarHBondContact O-CG2 3.47Å; N147-T164 PolarHBondContact O-OG1 3.06Å
148	T	97.4	Very high	92.3	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.006	23%	0.23	C	C	.	.	S	Bend	trans	-73.8	-11.1	-178	62.4	0	0	0	0	114.3	H83 K86 A123 F146	H83-T148 WeakPolarHBondContact ND1-CB 3.43Å; H83-T148 PolarHBondContact ND1-OG1 3.35Å; K86-T148 HydrophobicContact CB-CG2 4.25Å; A123-T148 HydrophobicContact CB-CG2 3.83Å; F146-T148 HydrophobicContact CD1-CG2 4.49Å; F146-T148 PolarHBondContact O-N 3.22Å
149	D	94.8	Very high	92.8	Very high	5 Å²	5	38.2 Å²	38.2	3%	0.027	20%	0.204	C	C	.	.			trans	-147.2	68.9	-174.9	-175.5	14.1	0	0	0	111.8	R79 N147 S151 F152 S153	R79-D149 IonicContact CZ-OD2 2.7Å; R79-D149 IonicContact NE-OD2 3.68Å; R79-D149 PolarHBondContact NE-OD2 3.41Å; R79-D149 IonicContact NH2-OD2 2.66Å; R79-D149 PolarHBondContact NH2-OD2 2.9Å; R79-D149 VanDerWaalsContact NH2-OD2 3.15Å; N147-D149 PolarHBondContact O-N 3.35Å; N147-D149 PolarHBondContact OD1-N 2.82Å; D149-S151 PolarHBondContact O-N 3.47Å; D149-F152 PolarHBondContact O-N 3.21Å; D149-F152 WeakPolarHBondContact OD1-CD2 3.19Å; D149-S153 PolarHBondContact O-N 2.98Å
150	P	91.9	Very high	93	Very high	25 Å²	25	39 Å²	39	16%	0.162	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-9	-172.8	29.2	-36.9	0	0	0	114.8	S153 K161 T164	P150-S153 WeakPolarHBondContact CA-O 3.33Å; P150-K161 HydrophobicContact CB-CB 4.23Å; P150-K161 HydrophobicContact CB-CD 4.1Å; P150-K161 HydrophobicContact CB-CG 3.94Å; P150-K161 PolarHBondContact O-NZ 2.91Å; P150-T164 HydrophobicContact CG-CG2 4.05Å
151	S	89.1	Confident	93.2	Very high	107 Å²	107	38.3 Å²	38.3	75%	0.748	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-26.2	175.1	-58.3	0	0	0	0	112.4	D149	D149-S151 PolarHBondContact O-N 3.47Å
152	F	83.9	Confident	93.1	Very high	114 Å²	114	38 Å²	38	50%	0.5	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.8	-21.5	-178.4	-70.8	-86.9	0	0	0	113.8	L75 R79 D149	L75-F152 HydrophobicContact CD1-CE1 4.13Å; L75-F152 HydrophobicContact CD1-CZ 3.76Å; R79-F152 HydrophobicContact CG-CD2 4.42Å; R79-F152 HydrophobicContact CG-CE2 4.32Å; R79-F152 VanDerWaalsContact NH2-CB 3.3Å; D149-F152 PolarHBondContact O-N 3.21Å; D149-F152 WeakPolarHBondContact OD1-CD2 3.19Å
153	S	82.6	Confident	93	Very high	31 Å²	31	37.6 Å²	37.6	22%	0.217	20%	0.196	C	C	.	.			trans	-120.1	132.1	178.1	-178.9	0	0	0	0	109.6	N147 D149 P150	N147-S153 PolarHBondContact ND2-O 2.92Å; D149-S153 PolarHBondContact O-N 2.98Å; P150-S153 WeakPolarHBondContact CA-O 3.33Å
154	H	83.7	Confident	92.7	Very high	155 Å²	155	37.9 Å²	37.9	72%	0.718	20%	0.197	S	C	*	.			trans	-67.2	-45.7	175.6	-72.1	77.6	0	0	0	110.7	N147	N147-H154 PolarHBondContact ND2-O 3.44Å
155	G	86.4	Confident	92.5	Very high	6 Å²	6	41.7 Å²	41.7	6%	0.062	22%	0.224	C	C	.	.			trans	64.2	54.3	178.8	0	0	0	0	0	111.3	D126 L157 C158	D126-G155 VanDerWaalsContact OD1-CA 3.28Å; D126-G155 WeakPolarHBondContact OD1-CA 3.3Å; G155-L157 PolarHBondContact O-N 2.91Å; G155-C158 WeakPolarHBondContact O-CB 3.46Å; G155-C158 PolarHBondContact O-N 3.42Å
156	F	91.2	Very high	92.4	Very high	116 Å²	116	44.5 Å²	44.5	51%	0.509	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-29.9	-175.7	-173.1	-92.1	0	0	0	113.4	D126 T294	D126-F156 VanDerWaalsContact CG-N 3.34Å; D126-F156 PolarHBondContact OD1-N 3.02Å; D126-F156 PolarHBondContact OD2-N 2.89Å; D126-F156 VanDerWaalsContact OD2-N 3.08Å; F156-T294 VanDerWaalsContact CD1-OG1 3.27Å; F156-T294 WeakPolarHBondContact CD1-OG1 3.11Å; F156-T294 HydrophobicContact CE1-CG2 3.89Å; F156-T294 WeakPolarHBondContact CE1-OG1 3.35Å; F156-T294 HydrophobicContact CE2-CG2 4.23Å; F156-T294 HydrophobicContact CZ-CG2 3.53Å; F156-T294 WeakPolarHBondContact CZ-OG1 3.37Å
157	L	95.5	Very high	92.4	Very high	10 Å²	10	44.4 Å²	44.4	5%	0.052	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-15.7	178	-56	-178.3	0	0	0	112.8	D126 F129 L130 G155 L251 T291	D126-L157 HydrophobicContact CB-CD1 4.23Å; D126-L157 HydrophobicContact CB-CG 4.34Å; D126-L157 WeakPolarHBondContact OD1-CB 3.47Å; D126-L157 PolarHBondContact OD1-N 2.74Å; F129-L157 HydrophobicContact CB-CB 4.02Å; F129-L157 HydrophobicContact CB-CD1 4.22Å; F129-L157 HydrophobicContact CD1-CB 3.66Å; F129-L157 HydrophobicContact CD1-CD1 3.61Å; F129-L157 HydrophobicContact CD1-CG 4.23Å; F129-L157 HydrophobicContact CD2-CB 4.12Å; F129-L157 HydrophobicContact CE1-CB 4.14Å; F129-L157 HydrophobicContact CE1-CD1 4.36Å; F129-L157 HydrophobicContact CG-CB 3.64Å; F129-L157 HydrophobicContact CG-CD1 4.15Å; L130-L157 HydrophobicContact CD2-CD1 3.84Å; L130-L157 HydrophobicContact CG-CD1 3.95Å; G155-L157 PolarHBondContact O-N 2.91Å; L157-L251 HydrophobicContact CD1-CD2 4.21Å; L157-T291 HydrophobicContact CD2-CG2 3.26Å
158	C	96.5	Very high	92.4	Very high	17 Å²	17	47.3 Å²	47.3	12%	0.115	26%	0.258	C	S	.	.	S	Bend	trans	-84.5	168.3	-178.7	-63.4	0	0	0	0	112.1	G145 N147 G155	G145-C158 CarbonylContact O-C 3.6Å; G145-C158 WeakPolarHBondContact O-CA 3.39Å; G145-C158 WeakPolarHBondContact O-CB 3.25Å; N147-C158 HydrophobicContact CB-CB 3.96Å; G155-C158 WeakPolarHBondContact O-CB 3.46Å; G155-C158 PolarHBondContact O-N 3.42Å
159	L	96.1	Very high	92.4	Very high	10 Å²	10	50.1 Å²	50.1	5%	0.052	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-54.5	154.4	169.4	-71	177.1	0	0	0	111.6	I144 G145 F146 C163 L174 V434 F436	I144-L159 HydrophobicContact CG2-CD1 3.58Å; I144-L159 HydrophobicContact CG2-CD2 4.28Å; I144-L159 HydrophobicContact CG2-CG 3.9Å; G145-L159 WeakPolarHBondContact O-CB 3.48Å; G145-L159 VanDerWaalsContact O-CG 3.28Å; G145-L159 WeakPolarHBondContact O-CG 3.31Å; G145-L159 PolarHBondContact O-N 3.1Å; F146-L159 HydrophobicContact CD2-CD1 4.28Å; L159-C163 HydrophobicContact CB-CB 4.04Å; L159-C163 HydrophobicContact CD1-CB 4.36Å; L159-L174 HydrophobicContact CD1-CD1 4.24Å; L159-V434 HydrophobicContact CD2-CG2 3.88Å; L159-F436 HydrophobicContact CD1-CE2 4.2Å; L159-F436 HydrophobicContact CD2-CD2 3.88Å; L159-F436 HydrophobicContact CD2-CE2 3.79Å
160	P	93.6	Very high	92.4	Very high	44 Å²	44	49.9 Å²	49.9	29%	0.286	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-51.6	148.9	176.9	-27.8	35.4	0	0	0	113.6	W162 C163 F436	P160-W162 HydrophobicContact CB-CG 4.34Å; P160-W162 PolarHBondContact O-N 2.99Å; P160-C163 VanDerWaalsContact O-CB 3.27Å; P160-C163 WeakPolarHBondContact O-CB 3.41Å; P160-C163 PolarHBondContact O-N 3.44Å; P160-C163 PolarHBondContact O-SG 3.39Å; P160-F436 HydrophobicContact CG-CB 4.44Å
161	K	93.3	Very high	92.7	Very high	111 Å²	111	48.8 Å²	48.8	48%	0.483	27%	0.267	S	S	.	.	H	α-helix	trans	-53.4	-32.6	-176.3	-62.4	-172	179	-164.1	0	114.1	P150 C163 T164 S165	P150-K161 HydrophobicContact CB-CB 4.23Å; P150-K161 HydrophobicContact CB-CD 4.1Å; P150-K161 HydrophobicContact CB-CG 3.94Å; P150-K161 PolarHBondContact O-NZ 2.91Å; K161-C163 PolarHBondContact O-N 3.05Å; K161-T164 WeakPolarHBondContact O-CB 3.37Å; K161-T164 PolarHBondContact O-N 3.11Å; K161-T164 VanDerWaalsContact O-N 3.14Å; K161-S165 PolarHBondContact O-N 3.1Å
162	W	92.7	Very high	93.1	Very high	28 Å²	28	46.8 Å²	46.8	11%	0.106	25%	0.248	C	C	.	.	H	α-helix	trans	-63.7	-26.2	179.2	68.7	-106.6	0	0	0	112.7	P160 T164 S165 N166 A170 L173 F436 V438 C440	P160-W162 HydrophobicContact CB-CG 4.34Å; P160-W162 PolarHBondContact O-N 2.99Å; W162-T164 VanDerWaalsContact C-N 3.3Å; W162-T164 PolarHBondContact O-N 2.84Å; W162-S165 PolarHBondContact O-N 2.84Å; W162-N166 PolarHBondContact O-N 3.31Å; W162-N166 PolarHBondContact O-ND2 2.97Å; W162-A170 HydrophobicContact CZ3-CB 4.21Å; W162-L173 HydrophobicContact CH2-CD1 3.7Å; W162-L173 HydrophobicContact CZ3-CD1 4.2Å; W162-F436 HydrophobicContact CH2-CD1 4.44Å; W162-F436 AromaticContact CH2-CD2 3.86Å; W162-F436 HydrophobicContact CH2-CD2 3.86Å; W162-F436 HydrophobicContact CH2-CE1 4.47Å; W162-F436 AromaticContact CH2-CE2 3.88Å; W162-F436 HydrophobicContact CH2-CE2 3.88Å; W162-F436 HydrophobicContact CH2-CG 4.14Å; W162-F436 HydrophobicContact CH2-CZ 4.18Å; W162-F436 HydrophobicContact CZ2-CB 3.9Å; W162-F436 HydrophobicContact CZ2-CD1 4.29Å; W162-F436 AromaticContact CZ2-CD2 3.52Å; W162-F436 HydrophobicContact CZ2-CD2 3.52Å; W162-F436 HydrophobicContact CZ2-CE2 4.04Å; W162-F436 AromaticContact CZ2-CG 3.66Å; W162-F436 HydrophobicContact CZ2-CG 3.66Å; W162-V438 PolarHBondContact NE1-O 3.43Å; W162-V438 VanDerWaalsContact NE1-O 3.16Å; W162-C440 HydrophobicContact CB-CB 4.38Å; W162-C440 HydrophobicContact CD2-CB 3.38Å; W162-C440 HydrophobicContact CE3-CB 3.58Å; W162-C440 HydrophobicContact CG-CB 3.74Å; W162-C440 HydrophobicContact CH2-CB 4.36Å; W162-C440 HydrophobicContact CZ2-CB 4.16Å; W162-C440 HydrophobicContact CZ3-CB 4.09Å
163	C	94.8	Very high	93.7	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-66.4	-35.1	176.7	-56.2	0	0	0	0	111	F146 L159 P160 K161 S165 N166 V167 A170 F436	F146-C163 HydrophobicContact CE2-CB 4.16Å; F146-C163 VanDerWaalsContact CZ-O 3.29Å; F146-C163 WeakPolarHBondContact CZ-O 3.49Å; L159-C163 HydrophobicContact CB-CB 4.04Å; L159-C163 HydrophobicContact CD1-CB 4.36Å; P160-C163 VanDerWaalsContact O-CB 3.27Å; P160-C163 WeakPolarHBondContact O-CB 3.41Å; P160-C163 PolarHBondContact O-N 3.44Å; P160-C163 PolarHBondContact O-SG 3.39Å; K161-C163 PolarHBondContact O-N 3.05Å; C163-S165 VanDerWaalsContact C-N 3.33Å; C163-N166 CarbonylContact O-C 3.21Å; C163-N166 PolarHBondContact O-N 2.91Å; C163-V167 WeakPolarHBondContact O-CA 3.46Å; C163-V167 PolarHBondContact O-N 3.05Å; C163-A170 HydrophobicContact CB-CB 3.73Å; C163-F436 VanDerWaalsContact SG-CE2 3.54Å
164	T	93.5	Very high	94.3	Very high	5 Å²	5	42.1 Å²	42.1	3%	0.031	23%	0.226	C	C	.	.	H	α-helix	trans	-65.8	-36.7	173.6	-48.3	0	0	0	0	112.6	K86 F146 N147 P150 K161 W162 N166	K86-T164 HydrophobicContact CD-CG2 3.98Å; K86-T164 WeakPolarHBondContact CE-O 3.49Å; K86-T164 HydrophobicContact CG-CG2 4.3Å; K86-T164 PolarHBondContact NZ-O 2.84Å; F146-T164 HydrophobicContact CE1-CG2 4.11Å; F146-T164 VanDerWaalsContact CZ-CA 3.45Å; N147-T164 WeakPolarHBondContact O-CB 3.23Å; N147-T164 WeakPolarHBondContact O-CG2 3.47Å; N147-T164 PolarHBondContact O-OG1 3.06Å; P150-T164 HydrophobicContact CG-CG2 4.05Å; K161-T164 WeakPolarHBondContact O-CB 3.37Å; K161-T164 PolarHBondContact O-N 3.11Å; K161-T164 VanDerWaalsContact O-N 3.14Å; W162-T164 VanDerWaalsContact C-N 3.3Å; W162-T164 PolarHBondContact O-N 2.84Å; T164-N166 VanDerWaalsContact C-N 3.33Å
165	S	93.4	Very high	94.9	Very high	82 Å²	82	36.7 Å²	36.7	57%	0.573	20%	0.202	S	C	*	.	H	α-helix	trans	-72.1	-27.8	176.8	-59.3	0	0	0	0	112.6	K161 W162 C163	K161-S165 PolarHBondContact O-N 3.1Å; W162-S165 PolarHBondContact O-N 2.84Å; C163-S165 VanDerWaalsContact C-N 3.33Å
166	N	95.7	Very high	95.3	Very high	62 Å²	62	39.2 Å²	39.2	33%	0.332	22%	0.219	S	C	.	.			trans	-132.7	67.2	-175.6	-57.3	-75.6	0	0	0	110.7	W162 C163 T164 S168 T169 A170	W162-N166 PolarHBondContact O-N 3.31Å; W162-N166 PolarHBondContact O-ND2 2.97Å; C163-N166 CarbonylContact O-C 3.21Å; C163-N166 PolarHBondContact O-N 2.91Å; T164-N166 VanDerWaalsContact C-N 3.33Å; N166-S168 PolarHBondContact O-N 2.81Å; N166-T169 PolarHBondContact O-N 2.79Å; N166-A170 WeakPolarHBondContact O-CB 3.47Å; N166-A170 PolarHBondContact O-N 3.1Å
167	V	97.3	Very high	95.4	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-57.4	-50.1	-174	174.3	0	0	0	0	111.2	K86 E89 L90 A93 F146 C163 T169 A170 I171	K86-V167 HydrophobicContact CD-CG2 4.44Å; E89-V167 HydrophobicContact CB-CG2 4.22Å; E89-V167 VanDerWaalsContact CD-CG2 3.46Å; E89-V167 HydrophobicContact CG-CB 3.87Å; E89-V167 HydrophobicContact CG-CG1 4.18Å; E89-V167 HydrophobicContact CG-CG2 3.8Å; E89-V167 WeakPolarHBondContact OE1-CB 3.38Å; E89-V167 WeakPolarHBondContact OE1-CG2 3.39Å; L90-V167 HydrophobicContact CB-CG1 4.29Å; L90-V167 HydrophobicContact CD1-CG1 4.38Å; A93-V167 HydrophobicContact CB-CG1 3.84Å; F146-V167 HydrophobicContact CE1-CG2 3.89Å; F146-V167 HydrophobicContact CE2-CG2 4.38Å; F146-V167 HydrophobicContact CZ-CB 4.23Å; F146-V167 HydrophobicContact CZ-CG1 4.37Å; F146-V167 HydrophobicContact CZ-CG2 3.4Å; C163-V167 WeakPolarHBondContact O-CA 3.46Å; C163-V167 PolarHBondContact O-N 3.05Å; V167-T169 PolarHBondContact O-N 3.09Å; V167-A170 WeakPolarHBondContact O-CB 3.3Å; V167-A170 PolarHBondContact O-N 3.45Å; V167-I171 HydrophobicContact CG1-CG1 4.39Å; V167-I171 WeakPolarHBondContact O-CG1 3.37Å; V167-I171 PolarHBondContact O-N 3.17Å
168	S	97.2	Very high	95.3	Very high	64 Å²	64	43.8 Å²	43.8	45%	0.448	24%	0.24	S	C	.	.	H	α-helix	trans	-56.7	-52.4	-178.5	-169.8	0	0	0	0	111.2	N166 A170 I171 D172	N166-S168 PolarHBondContact O-N 2.81Å; S168-A170 VanDerWaalsContact C-N 3.29Å; S168-A170 PolarHBondContact O-N 3.03Å; S168-I171 PolarHBondContact O-N 2.75Å; S168-I171 VanDerWaalsContact O-N 3.08Å; S168-D172 PolarHBondContact O-N 3.22Å
169	T	96.4	Very high	95.2	Very high	61 Å²	61	44.4 Å²	44.4	37%	0.374	24%	0.24	S	C	.	.	H	α-helix	trans	-60.4	-38.9	178.6	-52.3	0	0	0	0	112.2	N166 V167 D172 L173	N166-T169 PolarHBondContact O-N 2.79Å; V167-T169 PolarHBondContact O-N 3.09Å; T169-D172 PolarHBondContact O-N 2.81Å; T169-L173 HydrophobicContact CG2-CD1 4.19Å; T169-L173 WeakPolarHBondContact O-CB 3.26Å; T169-L173 VanDerWaalsContact O-CG 3.24Å; T169-L173 WeakPolarHBondContact O-CG 3.35Å; T169-L173 PolarHBondContact O-N 2.83Å
170	A	96.4	Very high	95.1	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-62.9	-43.4	175.3	0	0	0	0	0	111.3	W162 C163 N166 V167 S168 L173 L174	W162-A170 HydrophobicContact CZ3-CB 4.21Å; C163-A170 HydrophobicContact CB-CB 3.73Å; N166-A170 WeakPolarHBondContact O-CB 3.47Å; N166-A170 PolarHBondContact O-N 3.1Å; V167-A170 WeakPolarHBondContact O-CB 3.3Å; V167-A170 PolarHBondContact O-N 3.45Å; S168-A170 VanDerWaalsContact C-N 3.29Å; S168-A170 PolarHBondContact O-N 3.03Å; A170-L173 PolarHBondContact O-N 3.33Å; A170-L174 VanDerWaalsContact O-CG 3.27Å; A170-L174 WeakPolarHBondContact O-CG 3.27Å; A170-L174 PolarHBondContact O-N 2.86Å
171	I	97.8	Very high	95.1	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.005	25%	0.249	C	C	.	.	H	α-helix	trans	-65	-42.9	175.8	-64.9	-46.9	0	0	0	111.6	L90 A93 L94 F121 V167 S168 L173 L174 L175	L90-I171 HydrophobicContact CD1-CD1 3.74Å; L90-I171 HydrophobicContact CD1-CG1 4.27Å; A93-I171 HydrophobicContact CB-CB 4.26Å; A93-I171 HydrophobicContact CB-CG1 3.83Å; L94-I171 HydrophobicContact CD2-CD1 3.82Å; L94-I171 HydrophobicContact CD2-CG1 4.33Å; L94-I171 HydrophobicContact CD2-CG2 4.04Å; L94-I171 HydrophobicContact CG-CD1 4.25Å; L94-I171 HydrophobicContact CG-CG1 4.49Å; F121-I171 HydrophobicContact CE1-CD1 4.12Å; F121-I171 HydrophobicContact CZ-CD1 4.34Å; V167-I171 HydrophobicContact CG1-CG1 4.39Å; V167-I171 WeakPolarHBondContact O-CG1 3.37Å; V167-I171 PolarHBondContact O-N 3.17Å; S168-I171 PolarHBondContact O-N 2.75Å; S168-I171 VanDerWaalsContact O-N 3.08Å; I171-L173 VanDerWaalsContact C-N 3.31Å; I171-L173 PolarHBondContact O-N 2.98Å; I171-L174 HydrophobicContact CD1-CD1 3.99Å; I171-L174 PolarHBondContact O-N 3.32Å; I171-L175 HydrophobicContact CG2-CD1 3.64Å; I171-L175 HydrophobicContact CG2-CG 4.16Å; I171-L175 WeakPolarHBondContact O-CG 3.45Å; I171-L175 PolarHBondContact O-N 2.89Å
172	D	96.8	Very high	95.2	Very high	65 Å²	65	43.4 Å²	43.4	35%	0.348	23%	0.232	S	C	.	.	H	α-helix	trans	-55.1	-48.7	175.3	-60.4	-25.4	0	0	0	110.4	H97 S168 T169 L175 S176	H97-D172 IonicContact CE1-OD1 3.11Å; H97-D172 PolarHBondContact CE1-OD1 2.81Å; H97-D172 IonicContact NE2-OD1 3.36Å; H97-D172 PolarHBondContact NE2-OD1 3.28Å; S168-D172 PolarHBondContact O-N 3.22Å; T169-D172 PolarHBondContact O-N 2.81Å; D172-L175 PolarHBondContact O-N 3.11Å; D172-S176 VanDerWaalsContact O-CB 3.24Å; D172-S176 WeakPolarHBondContact O-CB 3.28Å; D172-S176 PolarHBondContact O-N 3.13Å; D172-S176 PolarHBondContact O-OG 2.96Å
173	L	96.3	Very high	95.4	Very high	47 Å²	47	44.2 Å²	44.2	25%	0.246	24%	0.235	C	C	.	.	H	α-helix	trans	-65.3	-38.8	179.2	-69.6	171	0	0	0	112.4	W162 T169 A170 I171 S176 K177 H178 F436	W162-L173 HydrophobicContact CH2-CD1 3.7Å; W162-L173 HydrophobicContact CZ3-CD1 4.2Å; T169-L173 HydrophobicContact CG2-CD1 4.19Å; T169-L173 WeakPolarHBondContact O-CB 3.26Å; T169-L173 VanDerWaalsContact O-CG 3.24Å; T169-L173 WeakPolarHBondContact O-CG 3.35Å; T169-L173 PolarHBondContact O-N 2.83Å; A170-L173 PolarHBondContact O-N 3.33Å; I171-L173 VanDerWaalsContact C-N 3.31Å; I171-L173 PolarHBondContact O-N 2.98Å; L173-S176 WeakPolarHBondContact CA-OG 3.38Å; L173-S176 PolarHBondContact O-OG 3.24Å; L173-K177 PolarHBondContact O-N 3Å; L173-H178 HydrophobicContact CB-CB 4.24Å; L173-H178 HydrophobicContact CD2-CB 3.71Å; L173-H178 PolarHBondContact O-N 2.94Å; L173-F436 HydrophobicContact CB-CE1 3.71Å; L173-F436 HydrophobicContact CB-CZ 4Å; L173-F436 HydrophobicContact CD1-CE1 4.34Å
174	L	96.3	Very high	95.5	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.005	24%	0.239	C	C	.	.	H	α-helix	trans	-62.9	-51.6	175	-71.9	173	0	0	0	111	F33 F121 I144 L159 A170 I171 S176 K177 F179 V434 F436	F33-L174 WeakPolarHBondContact CD1-O 3.06Å; F33-L174 HydrophobicContact CE1-CB 4.36Å; F33-L174 WeakPolarHBondContact CE1-O 3.37Å; F121-L174 HydrophobicContact CE1-CD1 3.97Å; F121-L174 HydrophobicContact CZ-CD1 4.27Å; I144-L174 HydrophobicContact CD1-CD1 4.07Å; I144-L174 HydrophobicContact CD1-CD2 4.17Å; I144-L174 HydrophobicContact CG2-CD1 4.1Å; L159-L174 HydrophobicContact CD1-CD1 4.24Å; A170-L174 VanDerWaalsContact O-CG 3.27Å; A170-L174 WeakPolarHBondContact O-CG 3.27Å; A170-L174 PolarHBondContact O-N 2.86Å; I171-L174 HydrophobicContact CD1-CD1 3.99Å; I171-L174 PolarHBondContact O-N 3.32Å; L174-S176 VanDerWaalsContact C-N 3.34Å; L174-S176 PolarHBondContact O-N 3.43Å; L174-K177 WeakPolarHBondContact O-CA 3.43Å; L174-K177 PolarHBondContact O-N 3.35Å; L174-F179 HydrophobicContact CD2-CB 4.47Å; L174-F179 HydrophobicContact CD2-CD1 4.11Å; L174-F179 HydrophobicContact CD2-CG 4.42Å; L174-F179 VanDerWaalsContact O-CE1 3.25Å; L174-F179 WeakPolarHBondContact O-CE1 2.91Å; L174-V434 HydrophobicContact CD2-CB 4.39Å; L174-V434 HydrophobicContact CD2-CG2 3.69Å; L174-F436 HydrophobicContact CD2-CE1 4.4Å; L174-F436 HydrophobicContact CD2-CE2 4.31Å; L174-F436 HydrophobicContact CD2-CZ 3.75Å; L174-F436 HydrophobicContact CG-CZ 3.89Å
175	L	95.9	Very high	95.8	Very high	41 Å²	41	45.6 Å²	45.6	22%	0.215	24%	0.24	C	C	.	.	H	α-helix	trans	-73.1	-27.3	-174.2	-64.2	177.1	0	0	0	112.9	F33 P35 H97 L99 I171 D172 K177	F33-L175 HydrophobicContact CE1-CD2 4.19Å; P35-L175 HydrophobicContact CG-CD2 3.8Å; H97-L175 HydrophobicContact CB-CD1 3.36Å; H97-L175 VanDerWaalsContact CD2-CD1 3.5Å; H97-L175 WeakPolarHBondContact CD2-CD1 3.44Å; L99-L175 HydrophobicContact CD1-CD1 3.93Å; L99-L175 HydrophobicContact CD1-CD2 4.29Å; I171-L175 HydrophobicContact CG2-CD1 3.64Å; I171-L175 HydrophobicContact CG2-CG 4.16Å; I171-L175 WeakPolarHBondContact O-CG 3.45Å; I171-L175 PolarHBondContact O-N 2.89Å; D172-L175 PolarHBondContact O-N 3.11Å; L175-K177 PolarHBondContact O-N 3.47Å
176	S	94.6	Very high	96	Very high	59 Å²	59	41.7 Å²	41.7	41%	0.413	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-0.1	169.2	59	0	0	0	0	114	D172 L173 L174 H178	D172-S176 VanDerWaalsContact O-CB 3.24Å; D172-S176 WeakPolarHBondContact O-CB 3.28Å; D172-S176 PolarHBondContact O-N 3.13Å; D172-S176 PolarHBondContact O-OG 2.96Å; L173-S176 WeakPolarHBondContact CA-OG 3.38Å; L173-S176 PolarHBondContact O-OG 3.24Å; L174-S176 VanDerWaalsContact C-N 3.34Å; L174-S176 PolarHBondContact O-N 3.43Å; S176-H178 VanDerWaalsContact C-N 3.33Å; S176-H178 PolarHBondContact O-N 3.29Å; S176-H178 PolarHBondContact OG-CD2 2.8Å
177	K	93.1	Very high	96.1	Very high	97 Å²	97	38.8 Å²	38.8	42%	0.422	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.8	28.2	177.7	-49	171.4	179.7	-178.6	0	114.3	F33 L173 L174 L175 F179	F33-K177 WeakPolarHBondContact O-CE 3.44Å; L173-K177 PolarHBondContact O-N 3Å; L174-K177 WeakPolarHBondContact O-CA 3.43Å; L174-K177 PolarHBondContact O-N 3.35Å; L175-K177 PolarHBondContact O-N 3.47Å; K177-F179 HydrophobicContact CB-CE1 4.29Å; K177-F179 PolarHBondContact O-N 2.82Å; K177-F179 VanDerWaalsContact O-N 3.07Å
178	H	93.9	Very high	96.1	Very high	125 Å²	125	41.8 Å²	41.8	58%	0.579	21%	0.208	S	C	*	.			trans	-84	55.6	172.4	-68.1	-49.5	0	0	0	111.7	L173 S176 F436	L173-H178 HydrophobicContact CB-CB 4.24Å; L173-H178 HydrophobicContact CD2-CB 3.71Å; L173-H178 PolarHBondContact O-N 2.94Å; S176-H178 VanDerWaalsContact C-N 3.33Å; S176-H178 PolarHBondContact O-N 3.29Å; S176-H178 PolarHBondContact OG-CD2 2.8Å; H178-F436 VanDerWaalsContact O-CD1 3.28Å; H178-F436 WeakPolarHBondContact O-CD1 3.36Å; H178-F436 VanDerWaalsContact O-CE1 3.23Å; H178-F436 WeakPolarHBondContact O-CE1 3.22Å
179	F	94.3	Very high	96.1	Very high	29 Å²	29	38.7 Å²	38.7	13%	0.127	19%	0.187	C	C	.	.	S	Bend	trans	-143.8	171.7	177.4	65.1	-96.8	0	0	0	110.4	F33 L174 K177 W181 V434 F436	F33-F179 HydrophobicContact CB-CE1 4.48Å; F33-F179 HydrophobicContact CB-CZ 4.01Å; F33-F179 AromaticContact CD1-CE1 3.62Å; F33-F179 HydrophobicContact CD1-CE1 3.62Å; F33-F179 AromaticContact CD1-CZ 3.86Å; F33-F179 HydrophobicContact CD1-CZ 3.86Å; F33-F179 HydrophobicContact CD2-CZ 4.41Å; F33-F179 HydrophobicContact CE1-CE1 4.02Å; F33-F179 HydrophobicContact CE1-CZ 4.43Å; F33-F179 HydrophobicContact CG-CE1 4.1Å; F33-F179 AromaticContact CG-CZ 3.84Å; F33-F179 HydrophobicContact CG-CZ 3.84Å; L174-F179 HydrophobicContact CD2-CB 4.47Å; L174-F179 HydrophobicContact CD2-CD1 4.11Å; L174-F179 HydrophobicContact CD2-CG 4.42Å; L174-F179 VanDerWaalsContact O-CE1 3.25Å; L174-F179 WeakPolarHBondContact O-CE1 2.91Å; K177-F179 HydrophobicContact CB-CE1 4.29Å; K177-F179 PolarHBondContact O-N 2.82Å; K177-F179 VanDerWaalsContact O-N 3.07Å; F179-W181 AromaticContact CE2-CD2 3.87Å; F179-W181 HydrophobicContact CE2-CD2 3.87Å; F179-W181 AromaticContact CE2-CE2 3.71Å; F179-W181 HydrophobicContact CE2-CE3 4.15Å; F179-W181 HydrophobicContact CE2-CG 4.4Å; F179-W181 HydrophobicContact CE2-CH2 4.15Å; F179-W181 AromaticContact CE2-CZ2 3.88Å; F179-W181 HydrophobicContact CE2-CZ2 3.88Å; F179-W181 HydrophobicContact CE2-CZ3 4.28Å; F179-W181 HydrophobicContact CZ-CH2 4.19Å; F179-W181 AromaticContact CZ-CZ2 3.91Å; F179-W181 HydrophobicContact CZ-CZ2 3.91Å; F179-V434 HydrophobicContact CB-CB 4.38Å; F179-V434 HydrophobicContact CD2-CB 3.68Å; F179-V434 HydrophobicContact CD2-CG1 3.52Å; F179-V434 HydrophobicContact CE2-CB 4.17Å; F179-V434 HydrophobicContact CE2-CG1 3.46Å; F179-V434 VanDerWaalsContact CE2-CG1 3.46Å; F179-V434 HydrophobicContact CG-CB 4.1Å; F179-V434 HydrophobicContact CG-CG1 4.17Å; F179-V434 HydrophobicContact CZ-CG1 4.04Å; F179-F436 HydrophobicContact CB-CD1 4.21Å; F179-F436 HydrophobicContact CB-CE1 4.07Å
180	Q	93.6	Very high	96	Very high	74 Å²	74	36.9 Å²	36.9	35%	0.346	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	143.8	167.4	-65.8	-166.5	-32.8	0	0	110.8	C20 V434 T435 N437	C20-Q180 PolarHBondContact SG-OE1 3.28Å; Q180-V434 CarbonylContact O-C 3.56Å; Q180-V434 WeakPolarHBondContact O-CA 3.35Å; Q180-T435 HydrophobicContact CB-CG2 3.88Å; Q180-T435 PolarHBondContact N-O 3.47Å; Q180-T435 PolarHBondContact O-N 2.87Å; Q180-N437 VanDerWaalsContact CD-OD1 3.27Å; Q180-N437 PolarHBondContact NE2-ND2 3.03Å; Q180-N437 PolarHBondContact OE1-ND2 2.89Å; Q180-N437 PolarHBondContact OE1-OD1 3.4Å
181	W	94.7	Very high	96	Very high	45 Å²	45	36.9 Å²	36.9	17%	0.17	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	141.4	168.2	-69.1	110	0	0	0	110.1	P31 F33 P142 F179 C432 V434	P31-W181 HydrophobicContact CB-CH2 4.06Å; P31-W181 HydrophobicContact CB-CZ2 3.78Å; P31-W181 HydrophobicContact CG-CH2 4.11Å; P31-W181 HydrophobicContact CG-CZ2 3.86Å; F33-W181 HydrophobicContact CB-CH2 4.4Å; F33-W181 HydrophobicContact CB-CZ2 4.07Å; F33-W181 AromaticContact CD2-CH2 3.93Å; F33-W181 HydrophobicContact CD2-CH2 3.93Å; F33-W181 HydrophobicContact CD2-CZ2 4.44Å; F33-W181 HydrophobicContact CG-CH2 4.45Å; P142-W181 HydrophobicContact CB-CH2 4.2Å; P142-W181 HydrophobicContact CB-CZ3 4.08Å; P142-W181 HydrophobicContact CG-CH2 3.85Å; P142-W181 HydrophobicContact CG-CZ3 4.1Å; F179-W181 AromaticContact CE2-CD2 3.87Å; F179-W181 HydrophobicContact CE2-CD2 3.87Å; F179-W181 AromaticContact CE2-CE2 3.71Å; F179-W181 HydrophobicContact CE2-CE3 4.15Å; F179-W181 HydrophobicContact CE2-CG 4.4Å; F179-W181 HydrophobicContact CE2-CH2 4.15Å; F179-W181 AromaticContact CE2-CZ2 3.88Å; F179-W181 HydrophobicContact CE2-CZ2 3.88Å; F179-W181 HydrophobicContact CE2-CZ3 4.28Å; F179-W181 HydrophobicContact CZ-CH2 4.19Å; F179-W181 AromaticContact CZ-CZ2 3.91Å; F179-W181 HydrophobicContact CZ-CZ2 3.91Å; W181-C432 HydrophobicContact CE3-CB 4.31Å; W181-C432 HydrophobicContact CZ3-CB 4.35Å; W181-V434 HydrophobicContact CE3-CG1 4.17Å; W181-V434 HydrophobicContact CZ3-CG1 3.96Å
182	L	95	Very high	95.9	Very high	25 Å²	25	36.9 Å²	36.9	13%	0.131	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	116	174.3	176	65.9	0	0	0	108.3	R184 P364 E365 C433 T435	L182-R184 HydrophobicContact CD2-CG 4.27Å; L182-R184 HydrophobicContact CG-CG 4.19Å; L182-R184 PolarHBondContact O-N 3.47Å; L182-P364 HydrophobicContact CD1-CG 4Å; L182-E365 HydrophobicContact CD1-CG 3.98Å; L182-C433 HydrophobicContact CB-CB 4.24Å; L182-C433 PolarHBondContact N-O 2.87Å; L182-C433 WeakPolarHBondContact O-CA 3.4Å; L182-C433 WeakPolarHBondContact O-CB 3.27Å; L182-C433 PolarHBondContact O-N 3.05Å; L182-T435 HydrophobicContact CB-CG2 4.39Å
183	W	96.4	Very high	95.7	Very high	46 Å²	46	33.8 Å²	33.8	17%	0.174	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	87.6	-175.4	-64.6	91.4	0	0	0	111.4	P31 P139 Q185 E365 A430 C432	P31-W183 HydrophobicContact CG-CH2 4.28Å; P31-W183 HydrophobicContact CG-CZ2 4.42Å; P139-W183 HydrophobicContact CB-CZ3 4Å; P139-W183 WeakPolarHBondContact O-CZ3 3.23Å; W183-Q185 PolarHBondContact O-N 2.93Å; W183-E365 HydrophobicContact CB-CG 4.45Å; W183-E365 PolarHBondContact N-OE1 3.09Å; W183-E365 WeakPolarHBondContact O-CA 3.12Å; W183-E365 WeakPolarHBondContact O-CG 3.49Å; W183-A430 HydrophobicContact CB-CB 4.38Å; W183-A430 HydrophobicContact CE3-CB 4.14Å; W183-C432 HydrophobicContact CD2-CB 4.3Å; W183-C432 HydrophobicContact CE3-CB 3.74Å; W183-C432 HydrophobicContact CH2-CB 3.73Å; W183-C432 HydrophobicContact CZ2-CB 4.27Å; W183-C432 HydrophobicContact CZ3-CB 3.44Å; W183-C432 VanDerWaalsContact CZ3-CB 3.44Å
184	R	97.8	Very high	95.5	Very high	22 Å²	22	33.2 Å²	33.2	8%	0.083	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	117.7	-178.7	-60.1	-175.3	177.2	-82.3	3.4	110.3	L182 L251 T291 P364 A430 L431	L182-R184 HydrophobicContact CD2-CG 4.27Å; L182-R184 HydrophobicContact CG-CG 4.19Å; L182-R184 PolarHBondContact O-N 3.47Å; R184-L251 HydrophobicContact CB-CD1 3.6Å; R184-L251 HydrophobicContact CG-CD1 4.49Å; R184-T291 WeakPolarHBondContact CD-OG1 3.42Å; R184-T291 PolarHBondContact NH1-OG1 3.22Å; R184-T291 VanDerWaalsContact NH1-OG1 3.1Å; R184-P364 HydrophobicContact CG-CB 4.26Å; R184-A430 WeakPolarHBondContact O-CA 3.41Å; R184-L431 HydrophobicContact CB-CB 4.41Å; R184-L431 PolarHBondContact N-O 3.18Å; R184-L431 PolarHBondContact O-N 3.47Å
185	Q	98	Very high	95.3	Very high	11 Å²	11	38.2 Å²	38.2	5%	0.051	18%	0.181	C	C	.	.			trans	-67.1	152.4	175.7	-62.7	-55.8	-30.3	0	0	111.5	W183 T289 P364 E365 D366 C367 V425 L426	W183-Q185 PolarHBondContact O-N 2.93Å; Q185-T289 WeakPolarHBondContact O-CG2 3.38Å; Q185-P364 WeakPolarHBondContact CG-O 3.22Å; Q185-P364 PolarHBondContact N-O 3.3Å; Q185-E365 WeakPolarHBondContact CG-O 3.45Å; Q185-E365 PolarHBondContact NE2-O 3.48Å; Q185-D366 WeakPolarHBondContact CG-O 3.21Å; Q185-C367 VanDerWaalsContact CD-SG 3.58Å; Q185-V425 HydrophobicContact CB-CG1 3.55Å; Q185-V425 HydrophobicContact CG-CG1 4.02Å; Q185-L426 PolarHBondContact OE1-O 3.39Å
186	R	98.2	Very high	95	Very high	1 Å²	1	43.4 Å²	43.4	0%	0.004	21%	0.209	C	C	.	.			trans	-132	150.4	178.3	-57.9	-173.3	-70.9	175.3	-3	110.9	A133 I136 F249 A250 L251 D429 L431	A133-R186 PolarHBondContact O-NH1 2.98Å; I136-R186 PolarHBondContact O-NH1 2.98Å; I136-R186 PolarHBondContact O-NH2 3.1Å; R186-F249 HydrophobicContact CB-CB 3.7Å; R186-F249 HydrophobicContact CG-CB 4.42Å; R186-A250 CarbonylContact C-O 3.54Å; R186-A250 WeakPolarHBondContact CA-O 3.25Å; R186-A250 WeakPolarHBondContact CB-O 3.5Å; R186-L251 HydrophobicContact CG-CB 4.38Å; R186-L251 HydrophobicContact CG-CD1 3.88Å; R186-D429 PolarHBondContact NE-O 2.91Å; R186-D429 PolarHBondContact NH2-O 2.83Å; R186-L431 HydrophobicContact CG-CB 4.44Å
187	I	98.4	Very high	94.7	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	121.4	177.2	-60.2	158.8	0	0	0	108.9	V189 F249 A250 V254 I287 T289 F423 T424 V425	I187-V189 HydrophobicContact CG2-CG2 3.95Å; I187-F249 WeakPolarHBondContact O-CA 3.21Å; I187-A250 HydrophobicContact CB-CB 4.27Å; I187-A250 PolarHBondContact N-O 3.43Å; I187-A250 PolarHBondContact O-N 3.4Å; I187-V254 HydrophobicContact CB-CG2 4.21Å; I187-V254 HydrophobicContact CD1-CG2 4.2Å; I187-V254 HydrophobicContact CG2-CG2 4Å; I187-I287 HydrophobicContact CD1-CB 4.35Å; I187-I287 HydrophobicContact CD1-CG2 3.89Å; I187-I287 VanDerWaalsContact CD1-O 3.23Å; I187-I287 WeakPolarHBondContact CD1-O 3.32Å; I187-T289 HydrophobicContact CD1-CG2 3.95Å; I187-T289 HydrophobicContact CG1-CG2 3.67Å; I187-F423 HydrophobicContact CG2-CB 4.08Å; I187-F423 HydrophobicContact CG2-CD1 3.99Å; I187-T424 WeakPolarHBondContact CA-O 2.99Å; I187-V425 HydrophobicContact CG1-CG2 4.13Å
188	R	96.8	Very high	94.2	Very high	63 Å²	63	45 Å²	45	24%	0.238	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	136.2	166.5	175.9	-173.4	-64.9	-170.2	-1.9	109.7	L245 F249 F423 T424 L426 D429	R188-L245 HydrophobicContact CG-CD1 3.58Å; R188-F249 HydrophobicContact CB-CD1 3.92Å; R188-F249 HydrophobicContact CB-CE1 3.93Å; R188-F249 HydrophobicContact CG-CD1 4.36Å; R188-F249 HydrophobicContact CG-CE1 3.97Å; R188-F423 WeakPolarHBondContact O-CA 3Å; R188-T424 PolarHBondContact N-O 2.76Å; R188-T424 PolarHBondContact O-N 3.04Å; R188-L426 VanDerWaalsContact CZ-CD1 3.45Å; R188-L426 VanDerWaalsContact NH1-CD1 3.32Å; R188-D429 IonicContact CZ-OD1 2.65Å; R188-D429 IonicContact CZ-OD2 2.79Å; R188-D429 IonicContact NE-OD1 3.69Å; R188-D429 IonicContact NE-OD2 3.11Å; R188-D429 PolarHBondContact NE-OD2 3.22Å; R188-D429 IonicContact NH2-OD1 2.78Å; R188-D429 PolarHBondContact NH2-OD1 2.92Å; R188-D429 IonicContact NH2-OD2 2.93Å; R188-D429 PolarHBondContact NH2-OD2 3Å
189	V	97.2	Very high	94	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	129	176.2	-176.9	0	0	0	0	111.3	I187 I191 L246 V254 L405 F407 A421 K422 F423	I187-V189 HydrophobicContact CG2-CG2 3.95Å; V189-I191 HydrophobicContact CG1-CG1 4.27Å; V189-L246 HydrophobicContact CB-CD1 4.02Å; V189-L246 HydrophobicContact CB-CG 4.47Å; V189-L246 HydrophobicContact CG1-CD1 3.95Å; V189-L246 PolarHBondContact O-N 3.46Å; V189-V254 HydrophobicContact CG2-CG2 4.22Å; V189-L405 HydrophobicContact CG1-CD1 3.81Å; V189-F407 HydrophobicContact CB-CE1 4.18Å; V189-F407 HydrophobicContact CB-CZ 3.82Å; V189-F407 HydrophobicContact CG1-CZ 4.38Å; V189-F407 HydrophobicContact CG2-CE1 3.68Å; V189-F407 HydrophobicContact CG2-CZ 3.57Å; V189-A421 HydrophobicContact CG1-CB 4.26Å; V189-K422 VanDerWaalsContact CA-O 3.31Å; V189-K422 WeakPolarHBondContact CA-O 3.01Å; V189-F423 HydrophobicContact CG1-CE1 4.36Å; V189-F423 HydrophobicContact CG2-CD1 3.45Å; V189-F423 VanDerWaalsContact CG2-CD1 3.45Å; V189-F423 HydrophobicContact CG2-CE1 3.75Å; V189-F423 HydrophobicContact CG2-CG 4.21Å
190	T	95.5	Very high	93.7	Very high	23 Å²	23	42.4 Å²	42.4	14%	0.141	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	136.7	166.3	54	0	0	0	0	109.3	T244 L245 A421 K422	T190-T244 CarbonylContact C-O 3.53Å; T190-T244 VanDerWaalsContact CA-O 3.28Å; T190-T244 WeakPolarHBondContact CA-O 3.48Å; T190-L245 HydrophobicContact CG2-CB 4.23Å; T190-L245 HydrophobicContact CG2-CD1 3.84Å; T190-A421 WeakPolarHBondContact O-CA 3.16Å; T190-K422 PolarHBondContact N-O 3.36Å; T190-K422 PolarHBondContact O-N 2.72Å
191	I	95.5	Very high	93.6	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	124	175.8	-53.7	-175.2	0	0	0	109.3	V189 H193 L199 T243 T244 L246 L405 F415 I420	V189-I191 HydrophobicContact CG1-CG1 4.27Å; I191-H193 HydrophobicContact CG2-CB 3.93Å; I191-H193 PolarHBondContact O-CD2 3.23Å; I191-L199 HydrophobicContact CB-CD1 4.14Å; I191-L199 HydrophobicContact CD1-CD1 4.1Å; I191-L199 HydrophobicContact CD1-CD2 4.29Å; I191-T243 CarbonylContact O-C 3.6Å; I191-T243 WeakPolarHBondContact O-CA 3.48Å; I191-T244 PolarHBondContact N-O 3.01Å; I191-T244 PolarHBondContact O-N 2.81Å; I191-L246 HydrophobicContact CD1-CD1 4.01Å; I191-L246 HydrophobicContact CD1-CD2 3.98Å; I191-L246 HydrophobicContact CD1-CG 4.35Å; I191-L246 HydrophobicContact CG1-CD1 4.22Å; I191-L246 HydrophobicContact CG1-CD2 4.18Å; I191-L246 HydrophobicContact CG1-CG 4.27Å; I191-L405 HydrophobicContact CD1-CD1 3.84Å; I191-L405 HydrophobicContact CG1-CD1 4.26Å; I191-F415 HydrophobicContact CG2-CD2 4.48Å; I191-I420 CarbonylContact C-O 3.32Å; I191-I420 VanDerWaalsContact CA-O 3.31Å; I191-I420 WeakPolarHBondContact CA-O 3.31Å
192	T	94.8	Very high	93.4	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	114.2	162.5	-53.6	0	0	0	0	108.6	L224 M241 K242 T243 S419 I420	T192-L224 HydrophobicContact CG2-CD1 3.8Å; T192-M241 HydrophobicContact CG2-CB 4.25Å; T192-M241 HydrophobicContact CG2-CE 4.09Å; T192-M241 HydrophobicContact CG2-SD 4.08Å; T192-K242 CarbonylContact C-O 3.46Å; T192-K242 WeakPolarHBondContact CA-O 3.45Å; T192-T243 PolarHBondContact OG1-OG1 3.34Å; T192-S419 WeakPolarHBondContact O-CA 3.46Å; T192-I420 PolarHBondContact N-O 3.03Å; T192-I420 PolarHBondContact O-N 3.45Å
193	H	93.7	Very high	93.2	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.005	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	171.3	-173.3	66.5	98.3	0	0	0	112	I191 D197 L199 M241 K242 T244	I191-H193 HydrophobicContact CG2-CB 3.93Å; I191-H193 PolarHBondContact O-CD2 3.23Å; H193-D197 PolarHBondContact CE1-O 3.11Å; H193-D197 VanDerWaalsContact CE1-O 3.28Å; H193-L199 VanDerWaalsContact NE2-CD1 3.34Å; H193-L199 WeakPolarHBondContact NE2-CD1 3.43Å; H193-M241 CarbonylContact O-C 3.57Å; H193-M241 VanDerWaalsContact O-CA 3.25Å; H193-M241 WeakPolarHBondContact O-CA 3.46Å; H193-K242 WeakPolarHBondContact CE1-CE 3.42Å; H193-K242 PolarHBondContact N-O 3.32Å; H193-K242 PolarHBondContact O-N 2.61Å; H193-T244 PolarHBondContact NE2-OG1 2.93Å
194	S	92.6	Very high	93	Very high	34 Å²	34	44.3 Å²	44.3	24%	0.238	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	137.9	176.1	179.5	0	0	0	0	111.5	N196 D197	S194-N196 PolarHBondContact O-N 3.08Å; S194-N196 PolarHBondContact OG-N 3.34Å; S194-D197 PolarHBondContact O-N 3.37Å
195	K	90.6	Very high	92.5	Very high	106 Å²	106	45.7 Å²	45.7	46%	0.461	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-26.5	173.6	-74.4	174.7	-174.2	178.7	0	112.6	D197 S239 E240 M241 K242	K195-D197 VanDerWaalsContact C-N 3.34Å; K195-S239 WeakPolarHBondContact CE-O 3.4Å; K195-S239 PolarHBondContact NZ-O 3.31Å; K195-E240 WeakPolarHBondContact CB-O 3.37Å; K195-E240 VanDerWaalsContact CG-O 3.27Å; K195-E240 WeakPolarHBondContact CG-O 3.44Å; K195-E240 PolarHBondContact N-O 3.46Å; K195-M241 WeakPolarHBondContact CE-O 3.5Å; K195-K242 HydrophobicContact CG-CB 4.11Å; K195-K242 HydrophobicContact CG-CD 4.3Å; K195-K242 HydrophobicContact CG-CG 4.16Å
196	N	89.9	Confident	91.9	Very high	151 Å²	151	53.7 Å²	53.7	81%	0.807	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-19.3	178.4	-63.5	-26.3	0	0	0	112.7	S194	S194-N196 PolarHBondContact O-N 3.08Å; S194-N196 PolarHBondContact OG-N 3.34Å
197	D	88.4	Confident	91	Very high	37 Å²	37	59.6 Å²	59.6	20%	0.198	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-82.7	130.6	176.9	-77.3	-44.7	0	0	0	111	H193 S194 K195 K416	H193-D197 PolarHBondContact CE1-O 3.11Å; H193-D197 VanDerWaalsContact CE1-O 3.28Å; S194-D197 PolarHBondContact O-N 3.37Å; K195-D197 VanDerWaalsContact C-N 3.34Å; D197-K416 IonicContact OD1-NZ 2.75Å; D197-K416 PolarHBondContact OD1-NZ 3.23Å
198	Q	83.9	Confident	90.2	Very high	153 Å²	153	64.7 Å²	64.7	72%	0.715	32%	0.318	S	S	*	.	P	Polyproline II helix	trans	-93.6	120	167.6	-65.8	-173.5	-0.9	0	0	109.1	I200	Q198-I200 HydrophobicContact CB-CG1 4.32Å; Q198-I200 PolarHBondContact O-N 3Å
199	L	89.5	Confident	89.4	Confident	13 Å²	13	64.7 Å²	64.7	7%	0.068	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-77.8	116.6	168	-60.8	178.8	0	0	0	107.6	I191 H193 L219 T244 L246 P414	I191-L199 HydrophobicContact CB-CD1 4.14Å; I191-L199 HydrophobicContact CD1-CD1 4.1Å; I191-L199 HydrophobicContact CD1-CD2 4.29Å; H193-L199 VanDerWaalsContact NE2-CD1 3.34Å; H193-L199 WeakPolarHBondContact NE2-CD1 3.43Å; L199-L219 HydrophobicContact CB-CD1 3.81Å; L199-L219 VanDerWaalsContact O-CD1 3.27Å; L199-L219 WeakPolarHBondContact O-CD1 3.35Å; L199-T244 HydrophobicContact CD1-CG2 3.98Å; L199-L246 HydrophobicContact CD1-CD2 3.95Å; L199-P414 HydrophobicContact CD2-CG 4.12Å; L199-P414 WeakPolarHBondContact CD2-O 3.37Å
200	I	88.4	Confident	88.4	Confident	86 Å²	86	66 Å²	66	44%	0.441	33%	0.333	S	S	.	.			trans	-113.8	120.5	178.8	-58.6	175.6	0	0	0	107.5	Q198 Q202 P414	Q198-I200 HydrophobicContact CB-CG1 4.32Å; Q198-I200 PolarHBondContact O-N 3Å; I200-Q202 HydrophobicContact CG2-CG 4.09Å; I200-Q202 PolarHBondContact O-N 3.28Å; I200-P414 WeakPolarHBondContact O-CD 3.24Å
201	M	90.5	Very high	87.5	Confident	18 Å²	18	67 Å²	67	9%	0.089	34%	0.338	C	S	.	.			trans	-71.9	123	171.5	-174	171.4	68.7	0	0	109.4	Q212 V248 V411 T412 F413	M201-Q212 HydrophobicContact CE-CG 3.79Å; M201-Q212 VanDerWaalsContact CE-NE2 3.31Å; M201-Q212 PolarHBondContact O-NE2 3.08Å; M201-V248 HydrophobicContact SD-CG1 3.87Å; M201-V411 HydrophobicContact CG-CB 3.83Å; M201-V411 HydrophobicContact CG-CG1 3.9Å; M201-V411 HydrophobicContact CG-CG2 4.24Å; M201-V411 HydrophobicContact SD-CB 4.24Å; M201-V411 HydrophobicContact SD-CG1 3.97Å; M201-V411 HydrophobicContact SD-CG2 4.19Å; M201-T412 WeakPolarHBondContact CA-O 3.43Å; M201-F413 HydrophobicContact CB-CD1 4.32Å; M201-F413 HydrophobicContact CB-CE1 3.58Å; M201-F413 HydrophobicContact CB-CE2 4.49Å; M201-F413 HydrophobicContact CB-CZ 3.68Å; M201-F413 HydrophobicContact CG-CE1 4.04Å; M201-F413 HydrophobicContact CG-CE2 4.08Å; M201-F413 HydrophobicContact CG-CZ 3.59Å; M201-F413 HydrophobicContact SD-CE2 4.39Å; M201-F413 HydrophobicContact SD-CZ 3.78Å
202	Q	90.3	Very high	86.2	Confident	98 Å²	98	70.1 Å²	70.1	46%	0.458	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	146.8	177.5	-64.3	-177.3	-8.4	0	0	110.6	I200 L204 V411 T412	I200-Q202 HydrophobicContact CG2-CG 4.09Å; I200-Q202 PolarHBondContact O-N 3.28Å; Q202-L204 PolarHBondContact O-N 2.95Å; Q202-V411 CarbonylContact O-C 3.58Å; Q202-V411 WeakPolarHBondContact O-CA 2.98Å; Q202-V411 WeakPolarHBondContact O-CB 3.46Å; Q202-T412 PolarHBondContact N-O 3.28Å; Q202-T412 PolarHBondContact O-N 2.88Å
203	P	91.7	Very high	84.5	Confident	35 Å²	35	72 Å²	72	23%	0.227	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	133	168.3	28.1	-33.2	0	0	0	109.4
204	L	91.2	Very high	82.5	Confident	78 Å²	78	78.3 Å²	78.3	41%	0.408	40%	0.396	S	S	.	.	S	Bend	trans	-62.9	-47.1	176.7	177.8	66.7	0	0	0	110.8	Q202 G410 T412	Q202-L204 PolarHBondContact O-N 2.95Å; L204-G410 PolarHBondContact N-O 2.9Å; L204-T412 HydrophobicContact CB-CG2 4Å; L204-T412 HydrophobicContact CD1-CG2 3.44Å; L204-T412 VanDerWaalsContact CD1-CG2 3.44Å; L204-T412 HydrophobicContact CG-CG2 4.29Å
205	D	88	Confident	80.4	Confident	52 Å²	52	84.1 Å²	84.1	28%	0.278	42%	0.419	S	S	.	.	S	Bend	trans	-96.5	107.3	172.5	179.8	-3.2	0	0	0	109.2	N207 K208	D205-N207 PolarHBondContact O-N 3.45Å; D205-N207 VanDerWaalsContact O-N 3.15Å; D205-N207 WeakPolarHBondContact OD1-CB 3.47Å; D205-N207 PolarHBondContact OD1-N 3.28Å; D205-N207 PolarHBondContact OD1-ND2 3.08Å; D205-K208 HydrophobicContact CB-CB 3.99Å; D205-K208 HydrophobicContact CB-CD 4.2Å; D205-K208 HydrophobicContact CB-CG 4.32Å; D205-K208 CarbonylContact O-C 3.56Å; D205-K208 WeakPolarHBondContact O-CA 3.35Å; D205-K208 WeakPolarHBondContact O-CB 3.48Å; D205-K208 PolarHBondContact O-N 3.04Å; D205-K208 WeakPolarHBondContact OD2-CD 3.48Å; D205-K208 WeakPolarHBondContact OD2-CE 3.43Å; D205-K208 WeakPolarHBondContact OD2-CG 3.45Å; D205-K208 IonicContact OD2-NZ 2.99Å; D205-K208 PolarHBondContact OD2-NZ 3.45Å
206	K	83.9	Confident	78.6	Confident	179 Å²	179	80.3 Å²	80.3	78%	0.778	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-21.7	-178.6	-63.7	-178.6	-179.1	179	0	113.4	K208	K206-K208 PolarHBondContact O-N 2.94Å
207	N	81.1	Confident	77	Confident	124 Å²	124	76.6 Å²	76.6	66%	0.663	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-2.6	175.3	-54.1	-62.1	0	0	0	112.7	D205 P209	D205-N207 PolarHBondContact O-N 3.45Å; D205-N207 VanDerWaalsContact O-N 3.15Å; D205-N207 WeakPolarHBondContact OD1-CB 3.47Å; D205-N207 PolarHBondContact OD1-N 3.28Å; D205-N207 PolarHBondContact OD1-ND2 3.08Å; N207-P209 VanDerWaalsContact C-CD 3.44Å; N207-P209 WeakPolarHBondContact O-CD 3.32Å
208	K	81.5	Confident	75.3	Confident	108 Å²	108	81.9 Å²	81.9	47%	0.47	41%	0.406	S	S	.	.	S	Bend	trans	-123.9	69.3	-178.3	-76.7	-172.5	-166.9	142.4	0	108	R106 D205 K206	R106-K208 VanDerWaalsContact CZ-CB 3.48Å; R106-K208 VanDerWaalsContact NH1-CB 3.29Å; R106-K208 VanDerWaalsContact NH1-CG 3.27Å; R106-K208 PolarHBondContact NH2-O 3.21Å; D205-K208 HydrophobicContact CB-CB 3.99Å; D205-K208 HydrophobicContact CB-CD 4.2Å; D205-K208 HydrophobicContact CB-CG 4.32Å; D205-K208 CarbonylContact O-C 3.56Å; D205-K208 WeakPolarHBondContact O-CA 3.35Å; D205-K208 WeakPolarHBondContact O-CB 3.48Å; D205-K208 PolarHBondContact O-N 3.04Å; D205-K208 WeakPolarHBondContact OD2-CD 3.48Å; D205-K208 WeakPolarHBondContact OD2-CE 3.43Å; D205-K208 WeakPolarHBondContact OD2-CG 3.45Å; D205-K208 IonicContact OD2-NZ 2.99Å; D205-K208 PolarHBondContact OD2-NZ 3.45Å; K206-K208 PolarHBondContact O-N 2.94Å
209	P	78.7	Confident	74.3	Confident	62 Å²	62	76.6 Å²	76.6	40%	0.403	38%	0.382	S	S	.	.			trans	-58	145.3	176.5	27.1	-34.4	0	0	0	109.6	R106 N207	R106-P209 VanDerWaalsContact CZ-O 3.26Å; R106-P209 PolarHBondContact NE-O 3.44Å; R106-P209 PolarHBondContact NH2-O 2.92Å; N207-P209 VanDerWaalsContact C-CD 3.44Å; N207-P209 WeakPolarHBondContact O-CD 3.32Å
210	I	76.2	Confident	73.3	Confident	28 Å²	28	78.9 Å²	78.9	14%	0.144	40%	0.399	C	S	.	.			trans	-107.9	135.4	172.1	-63.8	164.1	0	0	0	104.9	L131 Q212 V411	L131-I210 HydrophobicContact CD1-CG2 4.4Å; I210-Q212 PolarHBondContact O-N 3.22Å; I210-Q212 VanDerWaalsContact O-N 3.09Å; I210-V411 HydrophobicContact CD1-CG1 3.36Å
211	N	76.3	Confident	72.6	Confident	45 Å²	45	79.8 Å²	79.8	24%	0.241	41%	0.405	C	S	.	.			trans	-60	117.4	169.7	-173.1	-16.2	0	0	0	108	H107 Y109 K135	H107-N211 VanDerWaalsContact O-CB 3.29Å; H107-N211 WeakPolarHBondContact O-CB 3.49Å; H107-N211 PolarHBondContact O-ND2 3.07Å; Y109-N211 WeakPolarHBondContact O-CB 3.38Å; K135-N211 PolarHBondContact NZ-O 3.24Å
212	Q	69.4	Low	72	Confident	65 Å²	65	81.1 Å²	81.1	30%	0.304	41%	0.414	S	S	.	.			trans	-115.9	105.8	176.5	-68.3	179.3	-30.5	0	0	106.6	M201 I210 I217	M201-Q212 HydrophobicContact CE-CG 3.79Å; M201-Q212 VanDerWaalsContact CE-NE2 3.31Å; M201-Q212 PolarHBondContact O-NE2 3.08Å; I210-Q212 PolarHBondContact O-N 3.22Å; I210-Q212 VanDerWaalsContact O-N 3.09Å; Q212-I217 HydrophobicContact CB-CD1 4.26Å
213	T	59.5	Low	71.5	Confident	38 Å²	38	82.1 Å²	82.1	23%	0.233	43%	0.429	C	S	.	.			trans	-80.7	149.8	169.8	56.6	0	0	0	0	109.3	H215 E216 I217	T213-H215 PolarHBondContact O-N 3.38Å; T213-H215 VanDerWaalsContact O-N 3.15Å; T213-E216 PolarHBondContact N-OE2 3.07Å; T213-E216 WeakPolarHBondContact O-CB 3.46Å; T213-E216 PolarHBondContact O-N 3.41Å; T213-E216 WeakPolarHBondContact OG1-CG 3.38Å; T213-E216 PolarHBondContact OG1-OE1 3.31Å; T213-I217 PolarHBondContact O-N 3.44Å
214	I	51.8	Low	71.1	Confident	135 Å²	135	83 Å²	83	69%	0.692	43%	0.432	S	S	*	.	H	α-helix	trans	-55.4	-35.7	-178.7	-63.8	171.9	0	0	0	111.3	E216 I217 E218	I214-E216 VanDerWaalsContact C-N 3.3Å; I214-E216 PolarHBondContact O-N 2.88Å; I214-I217 PolarHBondContact O-N 2.92Å; I214-I217 VanDerWaalsContact O-N 3.12Å; I214-E218 PolarHBondContact O-N 3.27Å
215	H	48.7	Very low	70.8	Confident	156 Å²	156	80.6 Å²	80.6	72%	0.722	42%	0.419	S	S	*	.	H	α-helix	trans	-69.6	-20.4	177.4	-64.2	-62.1	0	0	0	114.3	T213 I217	T213-H215 PolarHBondContact O-N 3.38Å; T213-H215 VanDerWaalsContact O-N 3.15Å; H215-I217 VanDerWaalsContact C-N 3.33Å
216	E	52.7	Low	70.6	Confident	26 Å²	26	81.8 Å²	81.8	12%	0.121	43%	0.431	C	S	.	.	H	α-helix	trans	-82.7	-14.5	172.4	-69.8	167.4	-177.8	0	0	112.2	V111 K135 T213 I214 P247	V111-E216 HydrophobicContact CB-CG 4.32Å; V111-E216 HydrophobicContact CG2-CG 3.7Å; V111-E216 WeakPolarHBondContact CG2-OE1 3.28Å; V111-E216 PolarHBondContact N-OE1 2.88Å; K135-E216 IonicContact NZ-OE1 2.97Å; K135-E216 PolarHBondContact NZ-OE1 3.02Å; K135-E216 IonicContact NZ-OE2 3.03Å; K135-E216 PolarHBondContact NZ-OE2 2.65Å; T213-E216 PolarHBondContact N-OE2 3.07Å; T213-E216 WeakPolarHBondContact O-CB 3.46Å; T213-E216 PolarHBondContact O-N 3.41Å; T213-E216 WeakPolarHBondContact OG1-CG 3.38Å; T213-E216 PolarHBondContact OG1-OE1 3.31Å; I214-E216 VanDerWaalsContact C-N 3.3Å; I214-E216 PolarHBondContact O-N 2.88Å; E216-P247 WeakPolarHBondContact O-CB 3.44Å
217	I	54.5	Low	70.7	Confident	73 Å²	73	75.1 Å²	75.1	37%	0.374	41%	0.407	S	S	.	.	H	α-helix	trans	-94.2	-17.4	-178	-56.7	168.2	0	0	0	111.5	Q212 T213 I214 H215 L219	Q212-I217 HydrophobicContact CB-CD1 4.26Å; T213-I217 PolarHBondContact O-N 3.44Å; I214-I217 PolarHBondContact O-N 2.92Å; I214-I217 VanDerWaalsContact O-N 3.12Å; H215-I217 VanDerWaalsContact C-N 3.33Å; I217-L219 PolarHBondContact O-N 2.98Å
218	E	54.2	Low	71	Confident	147 Å²	147	69.2 Å²	69.2	69%	0.687	38%	0.376	S	S	*	.			trans	-63.1	88.1	177	-84.1	-171.8	165.7	0	0	110.7	I214 S220	I214-E218 PolarHBondContact O-N 3.27Å; E218-S220 PolarHBondContact O-N 2.83Å; E218-S220 VanDerWaalsContact O-N 3.08Å
219	L	63.1	Low	71.2	Confident	43 Å²	43	65 Å²	65	23%	0.225	36%	0.36	C	S	.	.			trans	-57.6	110.2	172.1	-75	162.1	0	0	0	108.1	L199 I217 N221 T244 L246	L199-L219 HydrophobicContact CB-CD1 3.81Å; L199-L219 VanDerWaalsContact O-CD1 3.27Å; L199-L219 WeakPolarHBondContact O-CD1 3.35Å; I217-L219 PolarHBondContact O-N 2.98Å; L219-N221 PolarHBondContact O-N 3.2Å; L219-T244 HydrophobicContact CB-CG2 3.57Å; L219-T244 HydrophobicContact CD1-CG2 4.21Å; L219-T244 HydrophobicContact CD2-CG2 3.4Å; L219-T244 VanDerWaalsContact CD2-CG2 3.4Å; L219-T244 HydrophobicContact CG-CG2 3.89Å; L219-L246 HydrophobicContact CD2-CD2 4.27Å
220	S	67.3	Low	71.6	Confident	60 Å²	60	69.4 Å²	69.4	42%	0.42	38%	0.375	S	S	.	.			trans	-69	109.5	175.1	63.8	0	0	0	0	108.4	E218 T222 L245	E218-S220 PolarHBondContact O-N 2.83Å; E218-S220 VanDerWaalsContact O-N 3.08Å; S220-T222 PolarHBondContact O-N 3.15Å; S220-L245 PolarHBondContact O-N 3.1Å
221	N	74.6	Confident	72.1	Confident	105 Å²	105	69.4 Å²	69.4	56%	0.561	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.4	120.6	167.3	-66.6	-41.3	0	0	0	107.5	L219	L219-N221 PolarHBondContact O-N 3.2Å
222	T	77.2	Confident	72.7	Confident	47 Å²	47	67.3 Å²	67.3	29%	0.288	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	164.6	171.9	61.6	0	0	0	0	109.1	S220 L224 T243 L245	S220-T222 PolarHBondContact O-N 3.15Å; T222-L224 PolarHBondContact O-N 3.21Å; T222-T243 PolarHBondContact N-O 3.39Å; T222-T243 WeakPolarHBondContact OG1-CG2 3.02Å; T222-T243 PolarHBondContact OG1-O 3.34Å; T222-L245 HydrophobicContact CG2-CB 3.95Å
223	P	80.8	Confident	73.4	Confident	119 Å²	119	68.6 Å²	68.6	77%	0.773	38%	0.378	S	S	*	.	P	Polyproline II helix	trans	-48.4	145.2	164	-25.7	35.2	0	0	0	110.4	D225	P223-D225 PolarHBondContact O-N 3.01Å
224	L	82.6	Confident	74.4	Confident	53 Å²	53	71.7 Å²	71.7	28%	0.277	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-56.5	122.8	178.3	-175.7	70.6	0	0	0	109.2	T192 T222 S226 P238 M241	T192-L224 HydrophobicContact CG2-CD1 3.8Å; T222-L224 PolarHBondContact O-N 3.21Å; L224-S226 PolarHBondContact O-N 3Å; L224-P238 HydrophobicContact CD2-CB 3.65Å; L224-P238 HydrophobicContact CD2-CG 4.26Å; L224-M241 HydrophobicContact CD1-CB 4.26Å
225	D	84.7	Confident	75.7	Confident	27 Å²	27	66.5 Å²	66.5	14%	0.144	38%	0.377	C	S	.	.			trans	-68.6	104.8	178.4	177.1	24.8	0	0	0	109.8	P223 S227 S228 C229 T243	P223-D225 PolarHBondContact O-N 3.01Å; D225-S227 PolarHBondContact O-N 2.57Å; D225-S227 WeakPolarHBondContact OD1-CB 2.98Å; D225-S227 PolarHBondContact OD1-N 3.39Å; D225-S227 VanDerWaalsContact OD1-N 3.08Å; D225-S227 PolarHBondContact OD1-OG 3.2Å; D225-S228 PolarHBondContact O-N 3.01Å; D225-S228 WeakPolarHBondContact OD2-CB 3.27Å; D225-S228 PolarHBondContact OD2-N 3.42Å; D225-S228 PolarHBondContact OD2-OG 3.16Å; D225-C229 PolarHBondContact O-N 3.05Å; D225-T243 HydrophobicContact CB-CG2 4.13Å; D225-T243 PolarHBondContact N-OG1 3.23Å
226	S	84.3	Confident	77	Confident	77 Å²	77	59.9 Å²	59.9	54%	0.538	35%	0.348	S	S	.	.	H	α-helix	trans	-63.7	-30.9	-179	-60.1	0	0	0	0	111.6	L224 C229 Q230	L224-S226 PolarHBondContact O-N 3Å; S226-C229 PolarHBondContact O-N 3.34Å; S226-Q230 WeakPolarHBondContact O-CB 3.42Å; S226-Q230 VanDerWaalsContact O-CG 3.26Å; S226-Q230 WeakPolarHBondContact O-CG 3.4Å; S226-Q230 PolarHBondContact O-N 3.07Å
227	S	86.2	Confident	78.5	Confident	39 Å²	39	61.6 Å²	61.6	27%	0.273	36%	0.362	S	S	.	.	H	α-helix	trans	-65.7	-46.5	-179.6	-22.7	0	0	0	0	111	D225 C229 Q230 L231 Y395	D225-S227 PolarHBondContact O-N 2.57Å; D225-S227 WeakPolarHBondContact OD1-CB 2.98Å; D225-S227 PolarHBondContact OD1-N 3.39Å; D225-S227 VanDerWaalsContact OD1-N 3.08Å; D225-S227 PolarHBondContact OD1-OG 3.2Å; S227-C229 VanDerWaalsContact C-N 3.25Å; S227-C229 PolarHBondContact O-N 2.73Å; S227-Q230 PolarHBondContact O-N 3Å; S227-L231 WeakPolarHBondContact O-CG 3.02Å; S227-L231 PolarHBondContact O-N 3.47Å; S227-Y395 WeakPolarHBondContact CB-OH 3.43Å
228	S	86.7	Confident	79.7	Confident	0 Å²	0	62 Å²	62	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-55.9	-42	174	-71.1	0	0	0	0	111.7	D225 F232	D225-S228 PolarHBondContact O-N 3.01Å; D225-S228 WeakPolarHBondContact OD2-CB 3.27Å; D225-S228 PolarHBondContact OD2-N 3.42Å; D225-S228 PolarHBondContact OD2-OG 3.16Å; S228-F232 PolarHBondContact O-N 3.25Å
229	C	84.9	Confident	81.3	Confident	20 Å²	20	59.1 Å²	59.1	14%	0.135	37%	0.365	C	S	.	.	H	α-helix	trans	-74.9	-30.7	178.7	-68.8	0	0	0	0	115.1	D225 S226 S227 F232 P233 C236	D225-C229 PolarHBondContact O-N 3.05Å; S226-C229 PolarHBondContact O-N 3.34Å; S227-C229 VanDerWaalsContact C-N 3.25Å; S227-C229 PolarHBondContact O-N 2.73Å; C229-F232 CarbonylContact O-C 3.57Å; C229-P233 VanDerWaalsContact O-CA 3.3Å; C229-P233 WeakPolarHBondContact O-CA 3.38Å; C229-C236 WeakPolarHBondContact CA-SG 3.33Å; C229-C236 HydrophobicContact CB-CB 3.38Å; C229-C236 WeakPolarHBondContact CB-SG 3.35Å; C229-C236 WeakPolarHBondContact SG-CB 3.36Å; C229-C236 CovalentContact SG-SG 2.04Å; C229-C236 PolarHBondContact SG-SG 3.43Å
230	Q	87.4	Confident	82.5	Confident	155 Å²	155	63 Å²	63	72%	0.724	38%	0.382	S	S	*	.	H	α-helix	trans	-69	-39.7	172.9	-75.9	171.7	-6.9	0	0	111.6	S226 S227	S226-Q230 WeakPolarHBondContact O-CB 3.42Å; S226-Q230 VanDerWaalsContact O-CG 3.26Å; S226-Q230 WeakPolarHBondContact O-CG 3.4Å; S226-Q230 PolarHBondContact O-N 3.07Å; S227-Q230 PolarHBondContact O-N 3Å
231	L	87.6	Confident	83.7	Confident	27 Å²	27	60.9 Å²	60.9	14%	0.141	37%	0.366	C	S	.	.	H	α-helix	trans	-69.5	-41.7	176.4	-72	169.5	0	0	0	111.7	S227 P233 I277 Y395	S227-L231 WeakPolarHBondContact O-CG 3.02Å; S227-L231 PolarHBondContact O-N 3.47Å; L231-P233 WeakPolarHBondContact O-CD 3.44Å; L231-I277 WeakPolarHBondContact O-CD1 3.35Å; L231-Y395 HydrophobicContact CD1-CD1 3.67Å; L231-Y395 HydrophobicContact CD1-CD2 3.6Å; L231-Y395 HydrophobicContact CD1-CE1 3.9Å; L231-Y395 HydrophobicContact CD1-CE2 3.88Å; L231-Y395 HydrophobicContact CD1-CG 3.49Å; L231-Y395 VanDerWaalsContact CD1-CG 3.49Å
232	F	89.1	Confident	84.5	Confident	1 Å²	1	58.6 Å²	58.6	0%	0.004	35%	0.351	C	S	.	.			trans	-120.4	66.1	-176.9	-55.8	-71.2	0	0	0	112.6	S228 C229 S234 S235 C236 D268 I277 R397 I420	S228-F232 PolarHBondContact O-N 3.25Å; C229-F232 CarbonylContact O-C 3.57Å; F232-S234 PolarHBondContact O-N 2.85Å; F232-S235 PolarHBondContact O-N 3.25Å; F232-C236 PolarHBondContact O-N 2.98Å; F232-D268 HydrophobicContact CE1-CB 3.69Å; F232-D268 HydrophobicContact CZ-CB 4.32Å; F232-I277 HydrophobicContact CD1-CD1 4.19Å; F232-I277 HydrophobicContact CE1-CD1 4.04Å; F232-I277 HydrophobicContact CE1-CG1 4.35Å; F232-I277 HydrophobicContact CE1-CG2 3.83Å; F232-R397 HydrophobicContact CD1-CB 3.88Å; F232-R397 HydrophobicContact CD2-CB 4.17Å; F232-R397 HydrophobicContact CE1-CB 3.75Å; F232-R397 HydrophobicContact CE2-CB 4.04Å; F232-R397 HydrophobicContact CG-CB 4.08Å; F232-R397 HydrophobicContact CZ-CB 3.82Å; F232-I420 HydrophobicContact CB-CD1 3.73Å; F232-I420 HydrophobicContact CB-CG1 4.27Å; F232-I420 HydrophobicContact CD2-CB 4.38Å; F232-I420 HydrophobicContact CD2-CD1 3.84Å; F232-I420 HydrophobicContact CD2-CG1 3.79Å; F232-I420 HydrophobicContact CD2-CG2 3.65Å; F232-I420 HydrophobicContact CE2-CG2 3.74Å; F232-I420 HydrophobicContact CG-CD1 4.19Å; F232-I420 HydrophobicContact CG-CG1 4.28Å
233	P	83.1	Confident	85.3	Confident	93 Å²	93	56.4 Å²	56.4	60%	0.604	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-31	-173.1	25.4	-34.7	0	0	0	112.6	C229 L231 S235 C236	C229-P233 VanDerWaalsContact O-CA 3.3Å; C229-P233 WeakPolarHBondContact O-CA 3.38Å; L231-P233 WeakPolarHBondContact O-CD 3.44Å; P233-S235 PolarHBondContact O-N 2.8Å; P233-C236 PolarHBondContact O-N 3.36Å
234	S	80.6	Confident	85.9	Confident	102 Å²	102	50.7 Å²	50.7	71%	0.713	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-19.5	178.1	68.2	0	0	0	0	113.9	F232 R397	F232-S234 PolarHBondContact O-N 2.85Å; S234-R397 PolarHBondContact OG-NH1 3.45Å
235	S	78.9	Confident	86.4	Confident	27 Å²	27	50 Å²	50	19%	0.189	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	-19.9	-179.6	-61.8	0	0	0	0	112.3	F232 P233 C237 R397	F232-S235 PolarHBondContact O-N 3.25Å; P233-S235 PolarHBondContact O-N 2.8Å; S235-C237 PolarHBondContact O-N 3.23Å; S235-R397 WeakPolarHBondContact OG-CD 3.47Å; S235-R397 PolarHBondContact OG-NH1 3.05Å
236	C	76.9	Confident	86.8	Confident	17 Å²	17	48.8 Å²	48.8	12%	0.115	29%	0.29	C	S	.	.			trans	-91.3	102.5	-178.6	-92	0	0	0	0	112.7	C229 F232 P233 P238 M241	C229-C236 WeakPolarHBondContact CA-SG 3.33Å; C229-C236 HydrophobicContact CB-CB 3.38Å; C229-C236 WeakPolarHBondContact CB-SG 3.35Å; C229-C236 WeakPolarHBondContact SG-CB 3.36Å; C229-C236 CovalentContact SG-SG 2.04Å; C229-C236 PolarHBondContact SG-SG 3.43Å; F232-C236 PolarHBondContact O-N 2.98Å; P233-C236 PolarHBondContact O-N 3.36Å; C236-P238 WeakPolarHBondContact O-CD 3.36Å; C236-M241 HydrophobicContact CB-SD 4.39Å
237	C	83.1	Confident	87	Confident	61 Å²	61	46.9 Å²	46.9	41%	0.412	28%	0.276	S	S	.	.			trans	-97.7	98.2	155.1	-70.3	0	0	0	0	108.3	S235 S239 E240 M241	S235-C237 PolarHBondContact O-N 3.23Å; C237-S239 PolarHBondContact O-N 2.66Å; C237-E240 HydrophobicContact CB-CB 4.06Å; C237-E240 HydrophobicContact CB-CG 4.37Å; C237-E240 PolarHBondContact O-N 3.06Å; C237-M241 PolarHBondContact O-N 3.23Å
238	P	80.6	Confident	87.3	Confident	82 Å²	82	45.7 Å²	45.7	53%	0.532	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-29.6	-175.8	-28.5	36.8	0	0	0	114.3	L224 C236 E240	L224-P238 HydrophobicContact CD2-CB 3.65Å; L224-P238 HydrophobicContact CD2-CG 4.26Å; C236-P238 WeakPolarHBondContact O-CD 3.36Å; P238-E240 VanDerWaalsContact C-N 3.29Å; P238-E240 PolarHBondContact O-N 2.85Å
239	S	86.5	Confident	87.7	Confident	86 Å²	86	46.8 Å²	46.8	60%	0.601	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-28.4	175.7	48.5	0	0	0	0	113.4	K195 C237	K195-S239 WeakPolarHBondContact CE-O 3.4Å; K195-S239 PolarHBondContact NZ-O 3.31Å; C237-S239 PolarHBondContact O-N 2.66Å
240	E	90.2	Very high	88.3	Confident	124 Å²	124	45.8 Å²	45.8	58%	0.579	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.9	-11.1	-172	-66.5	176.9	-161	0	0	113.2	K195 C237 P238	K195-E240 WeakPolarHBondContact CB-O 3.37Å; K195-E240 VanDerWaalsContact CG-O 3.27Å; K195-E240 WeakPolarHBondContact CG-O 3.44Å; K195-E240 PolarHBondContact N-O 3.46Å; C237-E240 HydrophobicContact CB-CB 4.06Å; C237-E240 HydrophobicContact CB-CG 4.37Å; C237-E240 PolarHBondContact O-N 3.06Å; P238-E240 VanDerWaalsContact C-N 3.29Å; P238-E240 PolarHBondContact O-N 2.85Å
241	M	91.1	Very high	88.9	Confident	16 Å²	16	38.4 Å²	38.4	8%	0.079	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	157.6	-178.4	-64.2	-168.2	102.4	0	0	113.2	T192 H193 K195 L224 C236 C237	T192-M241 HydrophobicContact CG2-CB 4.25Å; T192-M241 HydrophobicContact CG2-CE 4.09Å; T192-M241 HydrophobicContact CG2-SD 4.08Å; H193-M241 CarbonylContact O-C 3.57Å; H193-M241 VanDerWaalsContact O-CA 3.25Å; H193-M241 WeakPolarHBondContact O-CA 3.46Å; K195-M241 WeakPolarHBondContact CE-O 3.5Å; L224-M241 HydrophobicContact CD1-CB 4.26Å; C236-M241 HydrophobicContact CB-SD 4.39Å; C237-M241 PolarHBondContact O-N 3.23Å
242	K	91.9	Very high	89.4	Confident	57 Å²	57	37.6 Å²	37.6	25%	0.248	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	156.9	169.9	62.2	-180	-174.9	176.4	0	109.5	T192 H193 K195	T192-K242 CarbonylContact C-O 3.46Å; T192-K242 WeakPolarHBondContact CA-O 3.45Å; H193-K242 WeakPolarHBondContact CE1-CE 3.42Å; H193-K242 PolarHBondContact N-O 3.32Å; H193-K242 PolarHBondContact O-N 2.61Å; K195-K242 HydrophobicContact CG-CB 4.11Å; K195-K242 HydrophobicContact CG-CD 4.3Å; K195-K242 HydrophobicContact CG-CG 4.16Å
243	T	93.7	Very high	89.8	Confident	1 Å²	1	37.9 Å²	37.9	1%	0.006	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	134.1	172	-58.1	0	0	0	0	109.7	I191 T192 T222 D225	I191-T243 CarbonylContact O-C 3.6Å; I191-T243 WeakPolarHBondContact O-CA 3.48Å; T192-T243 PolarHBondContact OG1-OG1 3.34Å; T222-T243 PolarHBondContact N-O 3.39Å; T222-T243 WeakPolarHBondContact OG1-CG2 3.02Å; T222-T243 PolarHBondContact OG1-O 3.34Å; D225-T243 HydrophobicContact CB-CG2 4.13Å; D225-T243 PolarHBondContact N-OG1 3.23Å
244	T	93.2	Very high	90.5	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	124.3	-175.3	-59.5	0	0	0	0	109.1	T190 I191 H193 L199 L219	T190-T244 CarbonylContact C-O 3.53Å; T190-T244 VanDerWaalsContact CA-O 3.28Å; T190-T244 WeakPolarHBondContact CA-O 3.48Å; I191-T244 PolarHBondContact N-O 3.01Å; I191-T244 PolarHBondContact O-N 2.81Å; H193-T244 PolarHBondContact NE2-OG1 2.93Å; L199-T244 HydrophobicContact CD1-CG2 3.98Å; L219-T244 HydrophobicContact CB-CG2 3.57Å; L219-T244 HydrophobicContact CD1-CG2 4.21Å; L219-T244 HydrophobicContact CD2-CG2 3.4Å; L219-T244 VanDerWaalsContact CD2-CG2 3.4Å; L219-T244 HydrophobicContact CG-CG2 3.89Å
245	L	93.2	Very high	91.4	Very high	37 Å²	37	29.6 Å²	29.6	19%	0.194	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	125.2	167.1	174.6	63.2	0	0	0	108.8	R188 T190 S220 T222	R188-L245 HydrophobicContact CG-CD1 3.58Å; T190-L245 HydrophobicContact CG2-CB 4.23Å; T190-L245 HydrophobicContact CG2-CD1 3.84Å; S220-L245 PolarHBondContact O-N 3.1Å; T222-L245 HydrophobicContact CG2-CB 3.95Å
246	L	93	Very high	92.3	Very high	2 Å²	2	28.4 Å²	28.4	1%	0.01	16%	0.162	C	C	.	.			trans	-71.8	140.4	175.3	-58.5	-173	0	0	0	109.9	V189 I191 L199 L219 V248 L405 F407 F413	V189-L246 HydrophobicContact CB-CD1 4.02Å; V189-L246 HydrophobicContact CB-CG 4.47Å; V189-L246 HydrophobicContact CG1-CD1 3.95Å; V189-L246 PolarHBondContact O-N 3.46Å; I191-L246 HydrophobicContact CD1-CD1 4.01Å; I191-L246 HydrophobicContact CD1-CD2 3.98Å; I191-L246 HydrophobicContact CD1-CG 4.35Å; I191-L246 HydrophobicContact CG1-CD1 4.22Å; I191-L246 HydrophobicContact CG1-CD2 4.18Å; I191-L246 HydrophobicContact CG1-CG 4.27Å; L199-L246 HydrophobicContact CD1-CD2 3.95Å; L219-L246 HydrophobicContact CD2-CD2 4.27Å; L246-V248 PolarHBondContact O-N 3.31Å; L246-L405 HydrophobicContact CD1-CD1 4.37Å; L246-F407 HydrophobicContact CD1-CE2 3.83Å; L246-F407 HydrophobicContact CD1-CZ 3.59Å; L246-F413 HydrophobicContact CB-CZ 4.36Å; L246-F413 HydrophobicContact CD1-CB 4.45Å; L246-F413 HydrophobicContact CD1-CD1 4.43Å; L246-F413 HydrophobicContact CD1-CD2 3.83Å; L246-F413 HydrophobicContact CD1-CE2 4.15Å; L246-F413 HydrophobicContact CD1-CG 3.98Å; L246-F413 HydrophobicContact CD2-CD1 3.79Å; L246-F413 HydrophobicContact CD2-CE1 3.94Å; L246-F413 HydrophobicContact CD2-CG 4.14Å; L246-F413 HydrophobicContact CD2-CZ 4.44Å
247	P	89.8	Confident	93.3	Very high	37 Å²	37	27.6 Å²	27.6	24%	0.24	16%	0.156	C	C	.	.	S	Bend	trans	-77.9	11	-173	33.5	-38.1	0	0	0	113.6	E216 F413	E216-P247 WeakPolarHBondContact O-CB 3.44Å; P247-F413 HydrophobicContact CG-CZ 4.24Å
248	V	91.9	Very high	94	Very high	15 Å²	15	24.8 Å²	24.8	9%	0.091	14%	0.138	C	C	.	.			trans	-131.4	147.2	-177.8	-62.6	0	0	0	0	110.6	M201 L246 F407 V411 F413	M201-V248 HydrophobicContact SD-CG1 3.87Å; L246-V248 PolarHBondContact O-N 3.31Å; V248-F407 HydrophobicContact CG2-CB 4.5Å; V248-F407 HydrophobicContact CG2-CD1 3.86Å; V248-F407 HydrophobicContact CG2-CD2 4.4Å; V248-F407 HydrophobicContact CG2-CE1 4.22Å; V248-F407 HydrophobicContact CG2-CG 4.01Å; V248-V411 HydrophobicContact CG1-CG2 4.34Å; V248-V411 HydrophobicContact CG2-CG2 4.03Å; V248-F413 HydrophobicContact CG2-CE2 3.61Å; V248-F413 HydrophobicContact CG2-CZ 4.04Å
249	F	95.6	Very high	94.5	Very high	22 Å²	22	24 Å²	24	10%	0.096	14%	0.138	C	C	.	.			trans	-113.1	135.3	172.1	-54.1	-71.1	0	0	0	109.1	R186 I187 R188 D429	R186-F249 HydrophobicContact CB-CB 3.7Å; R186-F249 HydrophobicContact CG-CB 4.42Å; I187-F249 WeakPolarHBondContact O-CA 3.21Å; R188-F249 HydrophobicContact CB-CD1 3.92Å; R188-F249 HydrophobicContact CB-CE1 3.93Å; R188-F249 HydrophobicContact CG-CD1 4.36Å; R188-F249 HydrophobicContact CG-CE1 3.97Å; F249-D429 HydrophobicContact CD1-CB 4.25Å; F249-D429 HydrophobicContact CE1-CB 4.22Å; F249-D429 VanDerWaalsContact CE1-CG 3.47Å; F249-D429 WeakPolarHBondContact CE1-OD1 3.16Å; F249-D429 HydrophobicContact CZ-CB 4.48Å; F249-D429 VanDerWaalsContact CZ-OD1 3.29Å; F249-D429 WeakPolarHBondContact CZ-OD1 3.05Å
250	A	97.9	Very high	94.8	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.127	C	C	.	.	B	Isolated β-bridge	trans	-84.5	122.1	174.7	0	0	0	0	0	110.8	R186 I187 V254 F407 D408	R186-A250 CarbonylContact C-O 3.54Å; R186-A250 WeakPolarHBondContact CA-O 3.25Å; R186-A250 WeakPolarHBondContact CB-O 3.5Å; I187-A250 HydrophobicContact CB-CB 4.27Å; I187-A250 PolarHBondContact N-O 3.43Å; I187-A250 PolarHBondContact O-N 3.4Å; A250-V254 HydrophobicContact CB-CG2 3.46Å; A250-V254 VanDerWaalsContact CB-CG2 3.46Å; A250-F407 HydrophobicContact CB-CD1 3.75Å; A250-F407 HydrophobicContact CB-CE1 4.45Å; A250-D408 WeakPolarHBondContact CA-OD2 3.28Å
251	L	98.3	Very high	94.9	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	14%	0.141	C	C	.	.	S	Bend	trans	-79.1	-39.2	174	-179.3	64.8	0	0	0	112.2	F129 L130 A133 L157 R184 R186 T289 T291 D408 L431	F129-L251 HydrophobicContact CD1-CD2 3.86Å; F129-L251 HydrophobicContact CE1-CD2 3.54Å; L130-L251 HydrophobicContact CD2-CB 4Å; L130-L251 HydrophobicContact CD2-CD2 3.97Å; L130-L251 HydrophobicContact CD2-CG 4.34Å; A133-L251 HydrophobicContact CB-CD2 4.15Å; L157-L251 HydrophobicContact CD1-CD2 4.21Å; R184-L251 HydrophobicContact CB-CD1 3.6Å; R184-L251 HydrophobicContact CG-CD1 4.49Å; R186-L251 HydrophobicContact CG-CB 4.38Å; R186-L251 HydrophobicContact CG-CD1 3.88Å; L251-T289 WeakPolarHBondContact O-CG2 3.49Å; L251-T289 PolarHBondContact O-OG1 2.71Å; L251-T291 HydrophobicContact CD1-CG2 4.28Å; L251-T291 HydrophobicContact CD2-CG2 4.38Å; L251-T291 HydrophobicContact CG-CG2 3.98Å; L251-D408 PolarHBondContact N-OD1 2.78Å; L251-D408 PolarHBondContact N-OD2 2.93Å; L251-L431 HydrophobicContact CD1-CD2 3.97Å; L251-L431 HydrophobicContact CD2-CD2 3.89Å
252	N	98.2	Very high	95	Very high	9 Å²	9	26 Å²	26	5%	0.048	17%	0.172	C	C	.	.	S	Bend	trans	-96.6	-71.2	177.6	-78	-13.5	0	0	0	110.8	S288 T289 T291 G292 D408	N252-S288 WeakPolarHBondContact O-CA 3.41Å; N252-S288 PolarHBondContact O-OG 2.67Å; N252-T289 PolarHBondContact O-N 2.83Å; N252-T289 PolarHBondContact O-OG1 3.43Å; N252-T291 WeakPolarHBondContact OD1-CG2 3.19Å; N252-G292 VanDerWaalsContact CA-CA 3.49Å; N252-G292 WeakPolarHBondContact O-CA 3.48Å; N252-D408 WeakPolarHBondContact CA-OD1 3.37Å; N252-D408 WeakPolarHBondContact CB-OD1 3.13Å; N252-D408 PolarHBondContact N-OD1 2.84Å
253	E	98.2	Very high	95.2	Very high	7 Å²	7	25.9 Å²	25.9	3%	0.033	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	152.8	-172.4	58.8	-90.5	146.2	0	0	113.7	V286 I287 W296 D408	E253-V286 HydrophobicContact CB-CG1 4.03Å; E253-V286 HydrophobicContact CG-CG1 4.3Å; E253-I287 CarbonylContact C-O 3.56Å; E253-I287 WeakPolarHBondContact CA-O 3.48Å; E253-I287 VanDerWaalsContact CB-O 3.3Å; E253-I287 WeakPolarHBondContact CB-O 3.39Å; E253-W296 HydrophobicContact CG-CE3 3.92Å; E253-D408 PolarHBondContact N-OD1 2.86Å; E253-D408 PolarHBondContact O-N 3Å
254	V	98.6	Very high	95.3	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	129.5	162.3	-169.1	0	0	0	0	108.4	I187 V189 A250 I287 L405 A406 F407 F423	I187-V254 HydrophobicContact CB-CG2 4.21Å; I187-V254 HydrophobicContact CD1-CG2 4.2Å; I187-V254 HydrophobicContact CG2-CG2 4Å; V189-V254 HydrophobicContact CG2-CG2 4.22Å; A250-V254 HydrophobicContact CB-CG2 3.46Å; A250-V254 VanDerWaalsContact CB-CG2 3.46Å; V254-I287 PolarHBondContact N-O 2.9Å; V254-I287 VanDerWaalsContact O-CD1 3.31Å; V254-I287 WeakPolarHBondContact O-CD1 3.33Å; V254-I287 PolarHBondContact O-N 3.45Å; V254-L405 HydrophobicContact CG1-CB 4.2Å; V254-A406 CarbonylContact C-O 3.56Å; V254-A406 VanDerWaalsContact CA-O 3.27Å; V254-A406 WeakPolarHBondContact CA-O 3.41Å; V254-F407 HydrophobicContact CG1-CD2 4.22Å; V254-F407 HydrophobicContact CG1-CE1 4.23Å; V254-F407 HydrophobicContact CG1-CE2 3.91Å; V254-F407 HydrophobicContact CG1-CG 4.48Å; V254-F407 HydrophobicContact CG1-CZ 3.87Å; V254-F407 HydrophobicContact CG2-CD1 3.74Å; V254-F407 HydrophobicContact CG2-CE1 3.57Å; V254-F407 HydrophobicContact CG2-CG 4.33Å; V254-F407 HydrophobicContact CG2-CZ 4.06Å; V254-F423 HydrophobicContact CB-CD1 4.41Å; V254-F423 HydrophobicContact CB-CE1 4.01Å; V254-F423 HydrophobicContact CG1-CE1 3.79Å; V254-F423 HydrophobicContact CG2-CD1 4.5Å; V254-F423 HydrophobicContact CG2-CE1 4.46Å
255	F	98.4	Very high	95.5	Very high	21 Å²	21	30.4 Å²	30.4	9%	0.092	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	134.8	165.8	171.1	-99.6	0	0	0	110.2	L285 V286 W296 H404 L405 A406	F255-L285 CarbonylContact C-O 3.55Å; F255-L285 WeakPolarHBondContact CA-O 3.35Å; F255-L285 WeakPolarHBondContact CD2-O 3.36Å; F255-V286 HydrophobicContact CD2-CG2 4.04Å; F255-W296 HydrophobicContact CB-CH2 3.92Å; F255-W296 HydrophobicContact CB-CZ3 3.68Å; F255-W296 AromaticContact CD2-CH2 3.54Å; F255-W296 HydrophobicContact CD2-CH2 3.54Å; F255-W296 HydrophobicContact CD2-CZ2 4.48Å; F255-W296 HydrophobicContact CD2-CZ3 4.17Å; F255-W296 HydrophobicContact CE2-CH2 4.26Å; F255-W296 AromaticContact CG-CH2 3.85Å; F255-W296 HydrophobicContact CG-CH2 3.85Å; F255-W296 HydrophobicContact CG-CZ3 4.16Å; F255-H404 AromaticContact CD1-NE2 3.79Å; F255-H404 AromaticContact CE1-CE1 3.64Å; F255-H404 AromaticContact CE1-NE2 3.84Å; F255-L405 CarbonylContact O-C 3.59Å; F255-L405 WeakPolarHBondContact O-CA 3.3Å; F255-A406 HydrophobicContact CB-CB 4.31Å; F255-A406 PolarHBondContact N-O 3.11Å; F255-A406 PolarHBondContact O-N 3.44Å
256	A	98.3	Very high	95.7	Very high	2 Å²	2	29.8 Å²	29.8	2%	0.017	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	120.5	172.7	0	0	0	0	0	109.7	G284 L285 I287 I396 L405	A256-G284 WeakPolarHBondContact O-CA 3.32Å; A256-L285 HydrophobicContact CB-CB 4.46Å; A256-L285 PolarHBondContact N-O 3.13Å; A256-L285 PolarHBondContact O-N 3.16Å; A256-I287 HydrophobicContact CB-CD1 4.3Å; A256-I396 HydrophobicContact CB-CD1 3.85Å; A256-L405 HydrophobicContact CB-CD2 3.46Å; A256-L405 VanDerWaalsContact CB-CD2 3.46Å
257	G	97.9	Very high	95.9	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	175.9	-175.5	-179.5	0	0	0	0	0	114	S265 G403 H404	G257-S265 VanDerWaalsContact CA-OG 3.24Å; G257-S265 WeakPolarHBondContact CA-OG 3.34Å; G257-G403 WeakPolarHBondContact O-CA 3.35Å; G257-H404 PolarHBondContact N-O 3Å; G257-H404 VanDerWaalsContact N-O 3.16Å; G257-H404 PolarHBondContact O-N 3.32Å; G257-H404 PolarHBondContact O-ND1 2.62Å
258	A	97	Very high	96.2	Very high	3 Å²	3	28.5 Å²	28.5	3%	0.025	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64	146.3	176	0	0	0	0	0	111.1	S260 C263 S265 M400 H404	A258-S260 VanDerWaalsContact C-N 3.26Å; A258-S260 PolarHBondContact O-N 3.19Å; A258-C263 HydrophobicContact CB-CB 3.62Å; A258-S265 PolarHBondContact N-OG 3.49Å; A258-M400 HydrophobicContact CB-SD 4.08Å; A258-M400 PolarHBondContact N-SD 3.22Å; A258-M400 VanDerWaalsContact N-SD 3.35Å; A258-H404 PolarHBondContact O-CE1 3.18Å; A258-H404 PolarHBondContact O-ND1 3.39Å
259	A	91.8	Very high	96.3	Very high	65 Å²	65	28.1 Å²	28.1	54%	0.537	19%	0.191	S	C	.	.	S	Bend	trans	-58.4	-35.6	-179.2	0	0	0	0	0	113.8	D402 H404	A259-D402 HydrophobicContact CB-CB 4.39Å; A259-D402 VanDerWaalsContact CB-O 3.3Å; A259-D402 WeakPolarHBondContact CB-O 3.32Å; A259-D402 PolarHBondContact N-O 2.96Å; A259-H404 VanDerWaalsContact CA-CE1 3.45Å; A259-H404 WeakPolarHBondContact CA-CE1 3.46Å; A259-H404 VanDerWaalsContact CA-ND1 3.29Å; A259-H404 WeakPolarHBondContact CA-ND1 3.43Å; A259-H404 PolarHBondContact N-ND1 3.04Å
260	S	93	Very high	96.3	Very high	53 Å²	53	27.1 Å²	27.1	37%	0.371	19%	0.187	S	C	.	.	S	Bend	trans	-96.2	130.8	176.2	177.6	0	0	0	0	110.7	A258 A262 C263	A258-S260 VanDerWaalsContact C-N 3.26Å; A258-S260 PolarHBondContact O-N 3.19Å; S260-A262 PolarHBondContact O-N 3.43Å; S260-A262 VanDerWaalsContact O-N 3.08Å; S260-A262 PolarHBondContact OG-N 3.05Å; S260-C263 WeakPolarHBondContact O-CB 3.43Å; S260-C263 PolarHBondContact O-N 2.86Å
261	S	91.4	Very high	96.1	Very high	124 Å²	124	29 Å²	29	87%	0.867	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-11.7	173.1	62.5	0	0	0	0	113.8
262	A	94.1	Very high	95.8	Very high	90 Å²	90	32.8 Å²	32.8	74%	0.744	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-10.3	174	0	0	0	0	0	113	S260	S260-A262 PolarHBondContact O-N 3.43Å; S260-A262 VanDerWaalsContact O-N 3.08Å; S260-A262 PolarHBondContact OG-N 3.05Å
263	C	95.4	Very high	94.7	Very high	56 Å²	56	34.9 Å²	34.9	38%	0.378	23%	0.234	S	C	.	.	S	Bend	trans	-91.5	143.4	177.7	-69.9	0	0	0	0	110.8	A258 S260 S265	A258-C263 HydrophobicContact CB-CB 3.62Å; S260-C263 WeakPolarHBondContact O-CB 3.43Å; S260-C263 PolarHBondContact O-N 2.86Å; C263-S265 PolarHBondContact O-N 2.94Å
264	V	96.5	Very high	93.2	Very high	94 Å²	94	35.8 Å²	35.8	57%	0.57	25%	0.245	S	C	*	.	P	Polyproline II helix	trans	-74	126.2	172.4	178.4	0	0	0	0	108.6	K281	V264-K281 HydrophobicContact CG1-CB 3.86Å; V264-K281 HydrophobicContact CG1-CD 4.15Å; V264-K281 HydrophobicContact CG1-CG 4.08Å
265	S	97.9	Very high	91.7	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.014	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	133.3	171	-58.2	0	0	0	0	109.9	G257 A258 C263 K281 S282 G284 M400	G257-S265 VanDerWaalsContact CA-OG 3.24Å; G257-S265 WeakPolarHBondContact CA-OG 3.34Å; A258-S265 PolarHBondContact N-OG 3.49Å; C263-S265 PolarHBondContact O-N 2.94Å; S265-K281 VanDerWaalsContact O-CA 3.29Å; S265-K281 WeakPolarHBondContact O-CA 3.16Å; S265-S282 WeakPolarHBondContact CA-O 3.49Å; S265-S282 WeakPolarHBondContact CB-O 3.43Å; S265-S282 PolarHBondContact N-O 2.91Å; S265-S282 PolarHBondContact O-N 3.11Å; S265-G284 WeakPolarHBondContact OG-CA 3.28Å; S265-G284 PolarHBondContact OG-N 3.24Å; S265-M400 WeakPolarHBondContact CA-SD 3.33Å
266	D	97	Very high	91	Very high	23 Å²	23	49.2 Å²	49.2	12%	0.123	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	116.3	-168.6	174.5	-51	0	0	0	107.8	R279 K281 L399 M400	D266-R279 IonicContact OD1-CZ 3.94Å; D266-R279 IonicContact OD1-NH1 3.39Å; D266-R279 PolarHBondContact OD1-NH1 3.13Å; D266-R279 IonicContact OD1-NH2 3.31Å; D266-R279 PolarHBondContact OD1-NH2 3.44Å; D266-R279 IonicContact OD2-CZ 3.95Å; D266-R279 IonicContact OD2-NH1 2.65Å; D266-R279 IonicContact OD2-NH2 3.69Å; D266-R279 PolarHBondContact OD2-NH2 2.74Å; D266-K281 HydrophobicContact CB-CG 4.37Å; D266-K281 WeakPolarHBondContact OD2-CE 3.31Å; D266-K281 IonicContact OD2-NZ 2.78Å; D266-L399 PolarHBondContact O-N 3.39Å; D266-L399 WeakPolarHBondContact OD1-CB 3.47Å; D266-M400 HydrophobicContact CB-CG 4.2Å; D266-M400 PolarHBondContact N-SD 3.32Å; D266-M400 VanDerWaalsContact N-SD 3.4Å; D266-M400 WeakPolarHBondContact O-CG 3.35Å
267	Y	97	Very high	90.6	Very high	3 Å²	3	52.4 Å²	52.4	1%	0.012	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	169.1	-171.3	53.8	-90.1	0	0	0	111.9	I269 R279 Q280 S282 I396 R397	Y267-I269 HydrophobicContact CD2-CB 4.25Å; Y267-I269 HydrophobicContact CE2-CB 4.23Å; Y267-R279 PolarHBondContact O-NH1 2.92Å; Y267-R279 VanDerWaalsContact O-NH1 3.16Å; Y267-Q280 HydrophobicContact CD2-CB 4.27Å; Y267-Q280 HydrophobicContact CE2-CB 3.77Å; Y267-Q280 HydrophobicContact CE2-CG 4.48Å; Y267-Q280 PolarHBondContact N-O 3.19Å; Y267-Q280 VanDerWaalsContact N-O 3.15Å; Y267-Q280 PolarHBondContact O-N 3.12Å; Y267-Q280 PolarHBondContact OH-OE1 2.66Å; Y267-S282 VanDerWaalsContact CE1-OG 3.26Å; Y267-S282 WeakPolarHBondContact CE1-OG 3.45Å; Y267-S282 PolarHBondContact OH-OG 3.12Å; Y267-I396 HydrophobicContact CD2-CG2 4.07Å; Y267-I396 HydrophobicContact CG-CG2 4.15Å; Y267-R397 CarbonylContact C-O 3.45Å; Y267-R397 VanDerWaalsContact CA-O 3.24Å; Y267-R397 WeakPolarHBondContact CA-O 3.46Å; Y267-R397 VanDerWaalsContact CB-O 3.23Å; Y267-R397 WeakPolarHBondContact CB-O 3.33Å
268	D	95.3	Very high	90.3	Very high	9 Å²	9	54.9 Å²	54.9	5%	0.048	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	146.3	161.4	-58.7	-61	0	0	0	110	F232 I277 E278 R279 I396 R397 L399	F232-D268 HydrophobicContact CE1-CB 3.69Å; F232-D268 HydrophobicContact CZ-CB 4.32Å; D268-I277 HydrophobicContact CB-CG2 3.69Å; D268-E278 WeakPolarHBondContact CA-O 3.35Å; D268-R279 WeakPolarHBondContact OD1-CA 3.29Å; D268-R279 WeakPolarHBondContact OD1-CD 3.43Å; D268-I396 CarbonylContact O-C 3.51Å; D268-I396 VanDerWaalsContact O-CA 3.28Å; D268-I396 WeakPolarHBondContact O-CA 3.48Å; D268-R397 HydrophobicContact CB-CB 4.23Å; D268-R397 PolarHBondContact N-O 2.87Å; D268-R397 PolarHBondContact O-N 2.86Å; D268-R397 IonicContact OD2-CZ 3.77Å; D268-R397 IonicContact OD2-NE 3.52Å; D268-R397 PolarHBondContact OD2-NE 3.45Å; D268-R397 IonicContact OD2-NH2 2.55Å; D268-R397 PolarHBondContact OD2-NH2 3.23Å; D268-L399 VanDerWaalsContact OD2-CD1 3.28Å; D268-L399 WeakPolarHBondContact OD2-CD1 3.44Å
269	I	95	Very high	90.2	Very high	7 Å²	7	59.2 Å²	59.2	4%	0.036	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	139.2	179.6	-168.8	173.7	0	0	0	110.8	Y267 E278 Q280 L285 Y371 L394 Y395	Y267-I269 HydrophobicContact CD2-CB 4.25Å; Y267-I269 HydrophobicContact CE2-CB 4.23Å; I269-E278 HydrophobicContact CG2-CB 4.01Å; I269-E278 PolarHBondContact N-O 3.02Å; I269-E278 PolarHBondContact O-N 3.06Å; I269-Q280 HydrophobicContact CG2-CG 3.98Å; I269-L285 HydrophobicContact CD1-CD1 4.12Å; I269-L285 HydrophobicContact CD1-CD2 3.69Å; I269-Y371 HydrophobicContact CD1-CD2 4.37Å; I269-L394 HydrophobicContact CD1-CD1 3.97Å; I269-L394 HydrophobicContact CG1-CD1 3.86Å; I269-Y395 WeakPolarHBondContact CA-O 3.39Å
270	S	94.7	Very high	90.3	Very high	1 Å²	1	56.2 Å²	56.2	1%	0.007	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	135.7	168.5	169.5	0	0	0	0	109.4	G274 Y395	S270-G274 PolarHBondContact OG-O 3.2Å; S270-G274 VanDerWaalsContact OG-O 3.04Å; S270-Y395 PolarHBondContact N-O 3.31Å; S270-Y395 PolarHBondContact O-N 3.41Å
271	V	94.4	Very high	90.5	Very high	41 Å²	41	56.5 Å²	56.5	25%	0.248	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	131.8	-175.5	-179.8	0	0	0	0	109	S273 G274 Y371 A391 L394	V271-S273 VanDerWaalsContact C-N 3.27Å; V271-S273 PolarHBondContact O-N 2.78Å; V271-G274 PolarHBondContact O-N 2.97Å; V271-Y371 HydrophobicContact CG1-CE1 4.16Å; V271-Y371 HydrophobicContact CG2-CD1 4.27Å; V271-Y371 HydrophobicContact CG2-CE1 3.67Å; V271-A391 HydrophobicContact CG1-CB 3.75Å; V271-L394 HydrophobicContact CB-CD1 4.39Å; V271-L394 HydrophobicContact CG2-CD1 3.67Å
272	D	91	Very high	90.8	Very high	78 Å²	78	50.9 Å²	50.9	42%	0.417	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.2	37.6	178.4	-67.3	-36.7	0	0	0	114.7	G274 S392 E393	D272-G274 PolarHBondContact O-N 3.3Å; D272-G274 VanDerWaalsContact O-N 3.09Å; D272-S392 WeakPolarHBondContact OD1-CA 3.24Å; D272-S392 WeakPolarHBondContact OD1-CB 3.33Å; D272-S392 PolarHBondContact OD1-N 3.42Å; D272-E393 WeakPolarHBondContact CA-O 3.37Å; D272-E393 PolarHBondContact N-O 2.82Å; D272-E393 PolarHBondContact OD1-N 3.3Å
273	S	75.6	Confident	90.9	Very high	53 Å²	53	48.4 Å²	48.4	37%	0.371	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.7	22.2	-173.6	-60.1	0	0	0	0	113.8	V271 E393 Y395	V271-S273 VanDerWaalsContact C-N 3.27Å; V271-S273 PolarHBondContact O-N 2.78Å; S273-E393 PolarHBondContact OG-OE2 2.75Å; S273-Y395 VanDerWaalsContact OG-CE2 3.3Å; S273-Y395 WeakPolarHBondContact OG-CE2 3.28Å
274	G	67.7	Low	91	Very high	27 Å²	27	45.8 Å²	45.8	28%	0.278	25%	0.249	S	C	.	.			trans	-60.8	144.4	177.3	0	0	0	0	0	111.8	S270 V271 D272 T276	S270-G274 PolarHBondContact OG-O 3.2Å; S270-G274 VanDerWaalsContact OG-O 3.04Å; V271-G274 PolarHBondContact O-N 2.97Å; D272-G274 PolarHBondContact O-N 3.3Å; D272-G274 VanDerWaalsContact O-N 3.09Å; G274-T276 PolarHBondContact O-N 3.37Å
275	E	66.1	Low	91	Very high	198 Å²	198	41.3 Å²	41.3	93%	0.925	22%	0.222	S	C	*	.	S	Bend	trans	-63.1	-12.6	-176.3	-62.8	-171.2	166.7	0	0	113.9
276	T	83.6	Confident	91.1	Very high	105 Å²	105	41.2 Å²	41.2	64%	0.644	22%	0.221	S	C	*	.			trans	-93.5	116.8	-180	57.8	0	0	0	0	111.4	G274	G274-T276 PolarHBondContact O-N 3.37Å
277	I	90.6	Very high	91.2	Very high	69 Å²	69	40.1 Å²	40.1	35%	0.354	22%	0.215	S	C	.	.			trans	-98.6	124	170.1	-63.1	167.9	0	0	0	107.9	L231 F232 D268	L231-I277 WeakPolarHBondContact O-CD1 3.35Å; F232-I277 HydrophobicContact CD1-CD1 4.19Å; F232-I277 HydrophobicContact CE1-CD1 4.04Å; F232-I277 HydrophobicContact CE1-CG1 4.35Å; F232-I277 HydrophobicContact CE1-CG2 3.83Å; D268-I277 HydrophobicContact CB-CG2 3.69Å
278	E	92.3	Very high	91.2	Very high	51 Å²	51	40 Å²	40	24%	0.238	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	127.1	175.4	-68	-170	176.6	0	0	110.9	D268 I269 Q280 T385	D268-E278 WeakPolarHBondContact CA-O 3.35Å; I269-E278 HydrophobicContact CG2-CB 4.01Å; I269-E278 PolarHBondContact N-O 3.02Å; I269-E278 PolarHBondContact O-N 3.06Å; E278-Q280 HydrophobicContact CB-CG 4.29Å; E278-Q280 PolarHBondContact OE2-NE2 2.98Å; E278-Q280 VanDerWaalsContact OE2-NE2 3.13Å; E278-T385 WeakPolarHBondContact OE1-CB 3.37Å; E278-T385 PolarHBondContact OE1-OG1 3.03Å
279	R	94.1	Very high	91.4	Very high	94 Å²	94	39.6 Å²	39.6	36%	0.355	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	122.6	168.8	-173.9	77.7	168.8	107.8	-1.6	109.2	D266 Y267 D268 F382	D266-R279 IonicContact OD1-CZ 3.94Å; D266-R279 IonicContact OD1-NH1 3.39Å; D266-R279 PolarHBondContact OD1-NH1 3.13Å; D266-R279 IonicContact OD1-NH2 3.31Å; D266-R279 PolarHBondContact OD1-NH2 3.44Å; D266-R279 IonicContact OD2-CZ 3.95Å; D266-R279 IonicContact OD2-NH1 2.65Å; D266-R279 IonicContact OD2-NH2 3.69Å; D266-R279 PolarHBondContact OD2-NH2 2.74Å; Y267-R279 PolarHBondContact O-NH1 2.92Å; Y267-R279 VanDerWaalsContact O-NH1 3.16Å; D268-R279 WeakPolarHBondContact OD1-CA 3.29Å; D268-R279 WeakPolarHBondContact OD1-CD 3.43Å; R279-F382 HydrophobicContact CG-CD1 4.44Å; R279-F382 HydrophobicContact CG-CE1 3.97Å
280	Q	94.6	Very high	91.5	Very high	3 Å²	3	39.4 Å²	39.4	1%	0.014	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	145.9	-177.7	-62.1	-169	-1.9	0	0	113	Y267 I269 E278 V373 V384	Y267-Q280 HydrophobicContact CD2-CB 4.27Å; Y267-Q280 HydrophobicContact CE2-CB 3.77Å; Y267-Q280 HydrophobicContact CE2-CG 4.48Å; Y267-Q280 PolarHBondContact N-O 3.19Å; Y267-Q280 VanDerWaalsContact N-O 3.15Å; Y267-Q280 PolarHBondContact O-N 3.12Å; Y267-Q280 PolarHBondContact OH-OE1 2.66Å; I269-Q280 HydrophobicContact CG2-CG 3.98Å; E278-Q280 HydrophobicContact CB-CG 4.29Å; E278-Q280 PolarHBondContact OE2-NE2 2.98Å; E278-Q280 VanDerWaalsContact OE2-NE2 3.13Å; Q280-V373 VanDerWaalsContact OE1-CG2 3.25Å; Q280-V384 HydrophobicContact CB-CG2 4.48Å; Q280-V384 HydrophobicContact CG-CG2 4.13Å
281	K	96.1	Very high	91.7	Very high	58 Å²	58	39.4 Å²	39.4	25%	0.252	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	133.1	167.3	-77.9	-170.4	174.1	-173.9	0	109.5	V264 S265 D266 L377 F382	V264-K281 HydrophobicContact CG1-CB 3.86Å; V264-K281 HydrophobicContact CG1-CD 4.15Å; V264-K281 HydrophobicContact CG1-CG 4.08Å; S265-K281 VanDerWaalsContact O-CA 3.29Å; S265-K281 WeakPolarHBondContact O-CA 3.16Å; D266-K281 HydrophobicContact CB-CG 4.37Å; D266-K281 WeakPolarHBondContact OD2-CE 3.31Å; D266-K281 IonicContact OD2-NZ 2.78Å; K281-L377 HydrophobicContact CB-CB 3.95Å; K281-L377 HydrophobicContact CB-CD2 3.82Å; K281-L377 HydrophobicContact CD-CD2 4.12Å; K281-L377 WeakPolarHBondContact O-CB 3.27Å; K281-L377 PolarHBondContact O-N 2.7Å; K281-F382 HydrophobicContact CB-CD1 4.25Å; K281-F382 HydrophobicContact CB-CE1 4.47Å; K281-F382 HydrophobicContact CB-CG 4.44Å; K281-F382 HydrophobicContact CD-CD1 4.28Å; K281-F382 HydrophobicContact CD-CD2 4.2Å; K281-F382 HydrophobicContact CD-CE1 3.78Å; K281-F382 HydrophobicContact CD-CE2 3.7Å; K281-F382 HydrophobicContact CD-CG 4.48Å; K281-F382 HydrophobicContact CD-CZ 3.47Å; K281-F382 VanDerWaalsContact CD-CZ 3.47Å; K281-F382 VanDerWaalsContact CE-CZ 3.44Å; K281-F382 HydrophobicContact CG-CD1 4Å; K281-F382 HydrophobicContact CG-CE1 3.73Å; K281-F382 HydrophobicContact CG-CE2 4.46Å; K281-F382 HydrophobicContact CG-CG 4.48Å; K281-F382 HydrophobicContact CG-CZ 3.99Å
282	S	97.1	Very high	91.8	Very high	6 Å²	6	37.5 Å²	37.5	4%	0.042	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167	179.5	-170.6	60.2	0	0	0	0	111.3	S265 Y267 G284 R374	S265-S282 WeakPolarHBondContact CA-O 3.49Å; S265-S282 WeakPolarHBondContact CB-O 3.43Å; S265-S282 PolarHBondContact N-O 2.91Å; S265-S282 PolarHBondContact O-N 3.11Å; Y267-S282 VanDerWaalsContact CE1-OG 3.26Å; Y267-S282 WeakPolarHBondContact CE1-OG 3.45Å; Y267-S282 PolarHBondContact OH-OG 3.12Å; S282-G284 PolarHBondContact O-N 3.32Å; S282-G284 PolarHBondContact OG-N 2.5Å; S282-R374 VanDerWaalsContact CB-O 3.22Å; S282-R374 WeakPolarHBondContact CB-O 3.44Å
283	S	97	Very high	92.1	Very high	39 Å²	39	33.8 Å²	33.8	27%	0.273	18%	0.181	S	C	.	.	S	Bend	trans	-77.1	13.1	165.7	-62.9	0	0	0	0	113.1	R374 D375	S283-R374 PolarHBondContact N-O 2.86Å; S283-D375 WeakPolarHBondContact CB-OD2 3.14Å; S283-D375 WeakPolarHBondContact OG-CB 3.28Å; S283-D375 PolarHBondContact OG-OD2 2.87Å
284	G	97.3	Very high	93.1	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.174	C	C	.	.			trans	107.6	177.8	-179.8	0	0	0	0	0	113.3	A256 S265 S282 R374	A256-G284 WeakPolarHBondContact O-CA 3.32Å; S265-G284 WeakPolarHBondContact OG-CA 3.28Å; S265-G284 PolarHBondContact OG-N 3.24Å; S282-G284 PolarHBondContact O-N 3.32Å; S282-G284 PolarHBondContact OG-N 2.5Å; G284-R374 WeakPolarHBondContact O-CB 3.37Å; G284-R374 PolarHBondContact O-N 2.91Å
285	L	97.7	Very high	94.3	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.005	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	134.6	-177.5	-165	74.4	0	0	0	110.1	F255 A256 I269 I287 Y371 V373 L394 I396	F255-L285 CarbonylContact C-O 3.55Å; F255-L285 WeakPolarHBondContact CA-O 3.35Å; F255-L285 WeakPolarHBondContact CD2-O 3.36Å; A256-L285 HydrophobicContact CB-CB 4.46Å; A256-L285 PolarHBondContact N-O 3.13Å; A256-L285 PolarHBondContact O-N 3.16Å; I269-L285 HydrophobicContact CD1-CD1 4.12Å; I269-L285 HydrophobicContact CD1-CD2 3.69Å; L285-I287 HydrophobicContact CB-CD1 4.29Å; L285-I287 HydrophobicContact CD2-CD1 3.83Å; L285-I287 HydrophobicContact CD2-CG1 4.02Å; L285-I287 HydrophobicContact CG-CD1 4Å; L285-I287 HydrophobicContact CG-CG1 4.36Å; L285-Y371 HydrophobicContact CD1-CD2 4.25Å; L285-V373 HydrophobicContact CD1-CB 4.28Å; L285-V373 HydrophobicContact CD1-CG2 3.61Å; L285-L394 HydrophobicContact CD2-CD2 3.83Å; L285-I396 HydrophobicContact CD2-CD1 3.4Å; L285-I396 HydrophobicContact CD2-CG1 4.16Å
286	V	98.4	Very high	95.8	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	121	170.7	176.3	0	0	0	0	108.2	E253 F255 W296 I300 Y371 T372 R374	E253-V286 HydrophobicContact CB-CG1 4.03Å; E253-V286 HydrophobicContact CG-CG1 4.3Å; F255-V286 HydrophobicContact CD2-CG2 4.04Å; V286-W296 HydrophobicContact CG1-CE3 4.44Å; V286-W296 HydrophobicContact CG2-CD2 4.34Å; V286-W296 HydrophobicContact CG2-CE3 4.19Å; V286-W296 HydrophobicContact CG2-CH2 3.79Å; V286-W296 HydrophobicContact CG2-CZ2 3.94Å; V286-W296 HydrophobicContact CG2-CZ3 3.94Å; V286-I300 HydrophobicContact CB-CD1 3.87Å; V286-I300 HydrophobicContact CG1-CD1 4.18Å; V286-I300 HydrophobicContact CG2-CD1 3.85Å; V286-Y371 CarbonylContact O-C 3.56Å; V286-Y371 WeakPolarHBondContact O-CA 3.34Å; V286-T372 PolarHBondContact N-O 3.02Å; V286-T372 PolarHBondContact O-N 3.31Å; V286-R374 HydrophobicContact CG2-CG 4.18Å
287	I	98.7	Very high	96.4	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	118.3	177.6	-52.9	83.4	0	0	0	107.2	I187 E253 V254 A256 L285 M369 M370 L394 I396 F423	I187-I287 HydrophobicContact CD1-CB 4.35Å; I187-I287 HydrophobicContact CD1-CG2 3.89Å; I187-I287 VanDerWaalsContact CD1-O 3.23Å; I187-I287 WeakPolarHBondContact CD1-O 3.32Å; E253-I287 CarbonylContact C-O 3.56Å; E253-I287 WeakPolarHBondContact CA-O 3.48Å; E253-I287 VanDerWaalsContact CB-O 3.3Å; E253-I287 WeakPolarHBondContact CB-O 3.39Å; V254-I287 PolarHBondContact N-O 2.9Å; V254-I287 VanDerWaalsContact O-CD1 3.31Å; V254-I287 WeakPolarHBondContact O-CD1 3.33Å; V254-I287 PolarHBondContact O-N 3.45Å; A256-I287 HydrophobicContact CB-CD1 4.3Å; L285-I287 HydrophobicContact CB-CD1 4.29Å; L285-I287 HydrophobicContact CD2-CD1 3.83Å; L285-I287 HydrophobicContact CD2-CG1 4.02Å; L285-I287 HydrophobicContact CG-CD1 4Å; L285-I287 HydrophobicContact CG-CG1 4.36Å; I287-M369 HydrophobicContact CG2-CB 3.95Å; I287-M369 HydrophobicContact CG2-CG 3.99Å; I287-M369 HydrophobicContact CG2-SD 3.36Å; I287-M369 WeakPolarHBondContact CG2-SD 3.45Å; I287-M370 CarbonylContact C-O 3.58Å; I287-M370 WeakPolarHBondContact CA-O 3.46Å; I287-L394 HydrophobicContact CD1-CD2 4.47Å; I287-L394 HydrophobicContact CG1-CD2 3.57Å; I287-L394 HydrophobicContact CG2-CD2 4.4Å; I287-I396 HydrophobicContact CD1-CD1 4.17Å; I287-F423 HydrophobicContact CD1-CD1 4.43Å; I287-F423 HydrophobicContact CD1-CE1 3.98Å; I287-F423 HydrophobicContact CD1-CZ 4.22Å; I287-F423 HydrophobicContact CG1-CD1 4.3Å; I287-F423 HydrophobicContact CG1-CE1 4.34Å; I287-F423 HydrophobicContact CG2-CD1 4.5Å
288	S	98.5	Very high	96.6	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	145.9	-168.5	-169.7	0	0	0	0	112.7	N252 G292 S293 S297 M369 M370	N252-S288 WeakPolarHBondContact O-CA 3.41Å; N252-S288 PolarHBondContact O-OG 2.67Å; S288-G292 WeakPolarHBondContact OG-CA 3Å; S288-G292 PolarHBondContact OG-O 2.98Å; S288-S293 PolarHBondContact OG-N 2.57Å; S288-S297 WeakPolarHBondContact OG-CB 3.48Å; S288-M369 CarbonylContact O-C 3.49Å; S288-M369 WeakPolarHBondContact O-CA 3.4Å; S288-M369 WeakPolarHBondContact O-CB 3.24Å; S288-M370 PolarHBondContact N-O 3.44Å; S288-M370 PolarHBondContact O-N 3.22Å
289	T	98.6	Very high	96.8	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.006	12%	0.119	C	C	.	.			trans	-84.2	174.8	168.6	71.7	0	0	0	0	110.8	Q185 I187 L251 N252 T291 G292 S293 F362	Q185-T289 WeakPolarHBondContact O-CG2 3.38Å; I187-T289 HydrophobicContact CD1-CG2 3.95Å; I187-T289 HydrophobicContact CG1-CG2 3.67Å; L251-T289 WeakPolarHBondContact O-CG2 3.49Å; L251-T289 PolarHBondContact O-OG1 2.71Å; N252-T289 PolarHBondContact O-N 2.83Å; N252-T289 PolarHBondContact O-OG1 3.43Å; T289-T291 PolarHBondContact O-N 3.36Å; T289-T291 PolarHBondContact OG1-N 3.25Å; T289-G292 PolarHBondContact O-N 3.2Å; T289-G292 VanDerWaalsContact O-N 3.11Å; T289-G292 PolarHBondContact OG1-N 2.83Å; T289-G292 VanDerWaalsContact OG1-N 3.1Å; T289-S293 PolarHBondContact O-N 3.49Å; T289-F362 WeakPolarHBondContact O-CZ 3.41Å
290	G	98.1	Very high	96.9	Very high	3 Å²	3	22.3 Å²	22.3	3%	0.031	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-28	171.1	0	0	0	0	0	112.7	S293 F362	G290-S293 WeakPolarHBondContact O-CB 3.48Å; G290-S293 PolarHBondContact O-OG 3.24Å; G290-F362 WeakPolarHBondContact CA-O 3.44Å
291	T	98	Very high	97	Very high	1 Å²	1	23 Å²	23	1%	0.006	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-43.7	172.7	-62.7	0	0	0	0	111.8	L157 R184 L251 N252 T289 S293 T294 P364	L157-T291 HydrophobicContact CD2-CG2 3.26Å; R184-T291 WeakPolarHBondContact CD-OG1 3.42Å; R184-T291 PolarHBondContact NH1-OG1 3.22Å; R184-T291 VanDerWaalsContact NH1-OG1 3.1Å; L251-T291 HydrophobicContact CD1-CG2 4.28Å; L251-T291 HydrophobicContact CD2-CG2 4.38Å; L251-T291 HydrophobicContact CG-CG2 3.98Å; N252-T291 WeakPolarHBondContact OD1-CG2 3.19Å; T289-T291 PolarHBondContact O-N 3.36Å; T289-T291 PolarHBondContact OG1-N 3.25Å; T291-S293 VanDerWaalsContact C-N 3.26Å; T291-S293 PolarHBondContact O-N 3.1Å; T291-T294 PolarHBondContact O-OG1 3.42Å; T291-P364 WeakPolarHBondContact OG1-CB 3.31Å
292	G	97.5	Very high	96.9	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-73.6	-15.5	177.2	0	0	0	0	0	114.4	N252 S288 T289 T294 S295	N252-G292 VanDerWaalsContact CA-CA 3.49Å; N252-G292 WeakPolarHBondContact O-CA 3.48Å; S288-G292 WeakPolarHBondContact OG-CA 3Å; S288-G292 PolarHBondContact OG-O 2.98Å; T289-G292 PolarHBondContact O-N 3.2Å; T289-G292 VanDerWaalsContact O-N 3.11Å; T289-G292 PolarHBondContact OG1-N 2.83Å; T289-G292 VanDerWaalsContact OG1-N 3.1Å; G292-T294 PolarHBondContact O-N 2.81Å; G292-S295 WeakPolarHBondContact O-CA 3.32Å; G292-S295 WeakPolarHBondContact O-CB 3.38Å; G292-S295 PolarHBondContact O-N 3.42Å
293	S	97.6	Very high	96.9	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-61.2	-12.4	179.1	81.7	0	0	0	0	114.5	S288 T289 G290 T291 H298 F360 I361 F362	S288-S293 PolarHBondContact OG-N 2.57Å; T289-S293 PolarHBondContact O-N 3.49Å; G290-S293 WeakPolarHBondContact O-CB 3.48Å; G290-S293 PolarHBondContact O-OG 3.24Å; T291-S293 VanDerWaalsContact C-N 3.26Å; T291-S293 PolarHBondContact O-N 3.1Å; S293-H298 VanDerWaalsContact O-CB 3.3Å; S293-H298 WeakPolarHBondContact O-CB 3.34Å; S293-F360 WeakPolarHBondContact CB-O 3.4Å; S293-I361 WeakPolarHBondContact OG-CA 3.31Å; S293-F362 VanDerWaalsContact CB-CD1 3.5Å; S293-F362 VanDerWaalsContact CB-CE1 3.46Å; S293-F362 PolarHBondContact OG-N 3.08Å
294	T	94.9	Very high	96.8	Very high	39 Å²	39	26.6 Å²	26.6	24%	0.239	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-107.5	2.8	174.1	63.1	0	0	0	0	113.7	F156 T291 G292 I361	F156-T294 VanDerWaalsContact CD1-OG1 3.27Å; F156-T294 WeakPolarHBondContact CD1-OG1 3.11Å; F156-T294 HydrophobicContact CE1-CG2 3.89Å; F156-T294 WeakPolarHBondContact CE1-OG1 3.35Å; F156-T294 HydrophobicContact CE2-CG2 4.23Å; F156-T294 HydrophobicContact CZ-CG2 3.53Å; F156-T294 WeakPolarHBondContact CZ-OG1 3.37Å; T291-T294 PolarHBondContact O-OG1 3.42Å; G292-T294 PolarHBondContact O-N 2.81Å; T294-I361 HydrophobicContact CG2-CD1 4.2Å; T294-I361 HydrophobicContact CG2-CG1 4.19Å; T294-I361 HydrophobicContact CG2-CG2 3.72Å
295	S	94.3	Very high	96.7	Very high	43 Å²	43	31 Å²	31	30%	0.301	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107	-127.8	-178.4	-175.4	0	0	0	0	110.3	G292 S297 H298 Q299	G292-S295 WeakPolarHBondContact O-CA 3.32Å; G292-S295 WeakPolarHBondContact O-CB 3.38Å; G292-S295 PolarHBondContact O-N 3.42Å; S295-S297 VanDerWaalsContact C-N 3.33Å; S295-S297 PolarHBondContact O-N 3.07Å; S295-H298 WeakPolarHBondContact O-CB 3.02Å; S295-H298 PolarHBondContact O-N 3.07Å; S295-Q299 WeakPolarHBondContact O-CG 3.43Å; S295-Q299 PolarHBondContact O-N 3.37Å
296	W	96.2	Very high	96.7	Very high	79 Å²	79	35 Å²	35	30%	0.299	19%	0.185	S	C	.	.	H	α-helix	trans	-63.2	-39.7	-176.4	-177	24.6	0	0	0	112.2	E253 F255 V286 H298 Q299 I300	E253-W296 HydrophobicContact CG-CE3 3.92Å; F255-W296 HydrophobicContact CB-CH2 3.92Å; F255-W296 HydrophobicContact CB-CZ3 3.68Å; F255-W296 AromaticContact CD2-CH2 3.54Å; F255-W296 HydrophobicContact CD2-CH2 3.54Å; F255-W296 HydrophobicContact CD2-CZ2 4.48Å; F255-W296 HydrophobicContact CD2-CZ3 4.17Å; F255-W296 HydrophobicContact CE2-CH2 4.26Å; F255-W296 AromaticContact CG-CH2 3.85Å; F255-W296 HydrophobicContact CG-CH2 3.85Å; F255-W296 HydrophobicContact CG-CZ3 4.16Å; V286-W296 HydrophobicContact CG1-CE3 4.44Å; V286-W296 HydrophobicContact CG2-CD2 4.34Å; V286-W296 HydrophobicContact CG2-CE3 4.19Å; V286-W296 HydrophobicContact CG2-CH2 3.79Å; V286-W296 HydrophobicContact CG2-CZ2 3.94Å; V286-W296 HydrophobicContact CG2-CZ3 3.94Å; W296-H298 VanDerWaalsContact C-N 3.27Å; W296-H298 PolarHBondContact O-N 2.66Å; W296-Q299 PolarHBondContact O-N 3.29Å; W296-I300 PolarHBondContact O-N 3.46Å
297	S	96.9	Very high	96.6	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-55.6	-40.1	175.8	-175	0	0	0	0	112.7	S288 S295 I300 N301 M370	S288-S297 WeakPolarHBondContact OG-CB 3.48Å; S295-S297 VanDerWaalsContact C-N 3.33Å; S295-S297 PolarHBondContact O-N 3.07Å; S297-I300 VanDerWaalsContact O-CG1 3.28Å; S297-I300 WeakPolarHBondContact O-CG1 3.12Å; S297-N301 PolarHBondContact O-N 3.19Å; S297-N301 PolarHBondContact O-ND2 3.2Å; S297-M370 WeakPolarHBondContact OG-CE 3.3Å
298	H	95.7	Very high	96.4	Very high	35 Å²	35	39.1 Å²	39.1	16%	0.162	21%	0.207	C	C	.	.	H	α-helix	trans	-62.2	-48.1	173.4	-170.4	68.4	0	0	0	111.6	S293 S295 W296 I300 N301 K302 N357	S293-H298 VanDerWaalsContact O-CB 3.3Å; S293-H298 WeakPolarHBondContact O-CB 3.34Å; S295-H298 WeakPolarHBondContact O-CB 3.02Å; S295-H298 PolarHBondContact O-N 3.07Å; W296-H298 VanDerWaalsContact C-N 3.27Å; W296-H298 PolarHBondContact O-N 2.66Å; H298-I300 VanDerWaalsContact C-N 3.33Å; H298-I300 PolarHBondContact O-N 3Å; H298-N301 PolarHBondContact O-N 2.98Å; H298-K302 WeakPolarHBondContact O-CB 3.43Å; H298-K302 PolarHBondContact O-N 3.15Å; H298-N357 PolarHBondContact CE1-O 2.94Å; H298-N357 VanDerWaalsContact CE1-O 3.29Å
299	Q	95.5	Very high	96.2	Very high	109 Å²	109	44.2 Å²	44.2	51%	0.509	23%	0.229	S	C	.	.	H	α-helix	trans	-68.6	-30.5	-170.7	-64.1	-73.2	90	0	0	113.1	S295 W296	S295-Q299 WeakPolarHBondContact O-CG 3.43Å; S295-Q299 PolarHBondContact O-N 3.37Å; W296-Q299 PolarHBondContact O-N 3.29Å
300	I	95.8	Very high	96	Very high	52 Å²	52	50.7 Å²	50.7	27%	0.267	26%	0.257	S	S	.	.	H	α-helix	trans	-79.3	-25.1	175.9	62.2	179.1	0	0	0	113	V286 W296 S297 H298 T372 R374	V286-I300 HydrophobicContact CB-CD1 3.87Å; V286-I300 HydrophobicContact CG1-CD1 4.18Å; V286-I300 HydrophobicContact CG2-CD1 3.85Å; W296-I300 PolarHBondContact O-N 3.46Å; S297-I300 VanDerWaalsContact O-CG1 3.28Å; S297-I300 WeakPolarHBondContact O-CG1 3.12Å; H298-I300 VanDerWaalsContact C-N 3.33Å; H298-I300 PolarHBondContact O-N 3Å; I300-T372 HydrophobicContact CD1-CG2 3.62Å; I300-T372 HydrophobicContact CG1-CG2 4.18Å; I300-R374 HydrophobicContact CD1-CG 4.23Å
301	N	96.3	Very high	95.8	Very high	16 Å²	16	55.1 Å²	55.1	9%	0.086	28%	0.28	C	S	.	.	H	α-helix	trans	-95.6	-22.9	-176.4	-76.9	-59.6	0	0	0	113.4	S297 H298 Y356 F360 T372	S297-N301 PolarHBondContact O-N 3.19Å; S297-N301 PolarHBondContact O-ND2 3.2Å; H298-N301 PolarHBondContact O-N 2.98Å; N301-Y356 WeakPolarHBondContact O-CE1 3.44Å; N301-F360 HydrophobicContact CB-CB 4.43Å; N301-F360 HydrophobicContact CB-CD1 3.66Å; N301-F360 HydrophobicContact CB-CD2 3.92Å; N301-F360 HydrophobicContact CB-CE1 3.81Å; N301-F360 HydrophobicContact CB-CE2 4.08Å; N301-F360 HydrophobicContact CB-CG 3.72Å; N301-F360 HydrophobicContact CB-CZ 4.02Å; N301-T372 PolarHBondContact ND2-OG1 3.04Å; N301-T372 WeakPolarHBondContact OD1-CG2 3.44Å
302	K	95.3	Very high	95.5	Very high	90 Å²	90	56.5 Å²	56.5	39%	0.391	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-63.2	148.5	-173	71.7	179.3	-176.8	-177.3	0	114.1	H298 N357	H298-K302 WeakPolarHBondContact O-CB 3.43Å; H298-K302 PolarHBondContact O-N 3.15Å; K302-N357 WeakPolarHBondContact CA-OD1 3.45Å; K302-N357 HydrophobicContact CB-CB 4.46Å; K302-N357 VanDerWaalsContact CB-OD1 3.31Å; K302-N357 WeakPolarHBondContact CB-OD1 3.43Å
303	L	95.6	Very high	95.1	Very high	42 Å²	42	60.3 Å²	60.3	22%	0.22	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-101	148.3	164.3	-69.5	173.8	0	0	0	109.7	N307 I308 E353 Y356 N357	L303-N307 HydrophobicContact CD2-CB 4.26Å; L303-I308 HydrophobicContact CB-CD1 4.28Å; L303-I308 HydrophobicContact CB-CG1 4.25Å; L303-I308 HydrophobicContact CD1-CG1 4.5Å; L303-E353 VanDerWaalsContact O-CG 3.3Å; L303-E353 WeakPolarHBondContact O-CG 3.27Å; L303-Y356 HydrophobicContact CB-CD1 3.97Å; L303-Y356 HydrophobicContact CB-CE1 4.11Å; L303-Y356 HydrophobicContact CD1-CD1 3.65Å; L303-Y356 HydrophobicContact CD1-CD2 4.09Å; L303-Y356 HydrophobicContact CD1-CE1 3.51Å; L303-Y356 HydrophobicContact CD1-CE2 3.96Å; L303-Y356 HydrophobicContact CD1-CG 3.95Å; L303-Y356 HydrophobicContact CG-CD1 3.73Å; L303-Y356 HydrophobicContact CG-CE1 3.41Å; L303-Y356 VanDerWaalsContact CG-CE1 3.41Å; L303-N357 PolarHBondContact N-OD1 3.12Å; L303-N357 PolarHBondContact O-ND2 3.13Å; L303-N357 PolarHBondContact O-OD1 3Å
304	S	96.4	Very high	94.9	Very high	47 Å²	47	63.9 Å²	63.9	33%	0.329	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-95.5	155.9	170.3	63.3	0	0	0	0	110.6	S306 N307 I308 E353	S304-S306 PolarHBondContact O-N 3.18Å; S304-S306 VanDerWaalsContact O-N 3.15Å; S304-N307 WeakPolarHBondContact O-CB 3.17Å; S304-N307 PolarHBondContact O-N 2.82Å; S304-N307 PolarHBondContact OG-N 3.04Å; S304-I308 PolarHBondContact O-N 2.76Å; S304-I308 VanDerWaalsContact O-N 3.08Å; S304-E353 WeakPolarHBondContact CA-OE1 3.48Å
305	E	95.8	Very high	94.7	Very high	92 Å²	92	64.5 Å²	64.5	43%	0.43	33%	0.328	S	S	.	.	H	α-helix	trans	-49.4	-39.3	169.7	-63	179.2	-171.8	0	0	112.4	I308 K309 I349 E353	E305-I308 PolarHBondContact O-N 2.85Å; E305-K309 WeakPolarHBondContact O-CB 3.4Å; E305-K309 PolarHBondContact O-N 2.94Å; E305-I349 HydrophobicContact CB-CG2 3.77Å; E305-I349 HydrophobicContact CG-CG2 4.11Å; E305-E353 HydrophobicContact CG-CB 4.47Å; E305-E353 HydrophobicContact CG-CG 4.44Å; E305-E353 WeakPolarHBondContact CG-OE2 3.19Å; E305-E353 PolarHBondContact N-OE1 3Å
306	S	96.5	Very high	94.4	Very high	87 Å²	87	66.1 Å²	66.1	61%	0.608	33%	0.331	S	S	*	.	H	α-helix	trans	-62.7	-42.4	177.7	-177.9	0	0	0	0	112.7	S304 I308 K309 K310	S304-S306 PolarHBondContact O-N 3.18Å; S304-S306 VanDerWaalsContact O-N 3.15Å; S306-I308 VanDerWaalsContact C-N 3.35Å; S306-K309 PolarHBondContact O-N 2.89Å; S306-K310 PolarHBondContact O-N 3.28Å
307	N	96.2	Very high	94.1	Very high	81 Å²	81	69.4 Å²	69.4	43%	0.433	35%	0.35	S	S	.	.	H	α-helix	trans	-64.5	-42.3	175.7	-74.8	-13.6	0	0	0	111.1	L303 S304 K310 L311	L303-N307 HydrophobicContact CD2-CB 4.26Å; S304-N307 WeakPolarHBondContact O-CB 3.17Å; S304-N307 PolarHBondContact O-N 2.82Å; S304-N307 PolarHBondContact OG-N 3.04Å; N307-K310 PolarHBondContact O-N 2.73Å; N307-L311 WeakPolarHBondContact O-CG 3.37Å; N307-L311 PolarHBondContact O-N 3.36Å; N307-L311 VanDerWaalsContact O-N 3.11Å
308	I	95.6	Very high	93.9	Very high	5 Å²	5	76.3 Å²	76.3	3%	0.026	39%	0.385	C	S	.	.	H	α-helix	trans	-65.7	-44.3	179.2	-65	162.7	0	0	0	110.2	L303 S304 E305 S306 K310 L311 F312 I349 I352 E353	L303-I308 HydrophobicContact CB-CD1 4.28Å; L303-I308 HydrophobicContact CB-CG1 4.25Å; L303-I308 HydrophobicContact CD1-CG1 4.5Å; S304-I308 PolarHBondContact O-N 2.76Å; S304-I308 VanDerWaalsContact O-N 3.08Å; E305-I308 PolarHBondContact O-N 2.85Å; S306-I308 VanDerWaalsContact C-N 3.35Å; I308-K310 VanDerWaalsContact C-N 3.31Å; I308-K310 PolarHBondContact O-N 3.35Å; I308-L311 WeakPolarHBondContact O-CA 3.43Å; I308-L311 WeakPolarHBondContact O-CB 3.42Å; I308-L311 PolarHBondContact O-N 2.83Å; I308-F312 HydrophobicContact CG2-CD2 3.78Å; I308-F312 HydrophobicContact CG2-CE2 3.56Å; I308-F312 VanDerWaalsContact O-CD2 3.28Å; I308-F312 WeakPolarHBondContact O-CD2 3.37Å; I308-F312 PolarHBondContact O-N 3Å; I308-I349 HydrophobicContact CB-CG2 4.15Å; I308-I349 HydrophobicContact CG2-CB 4.36Å; I308-I349 HydrophobicContact CG2-CG1 4.1Å; I308-I349 HydrophobicContact CG2-CG2 4.02Å; I308-I352 HydrophobicContact CD1-CG2 4.03Å; I308-I352 HydrophobicContact CG1-CG2 4.43Å; I308-I352 HydrophobicContact CG2-CB 4.49Å; I308-I352 HydrophobicContact CG2-CG2 4.18Å; I308-E353 VanDerWaalsContact CD1-CA 3.42Å; I308-E353 HydrophobicContact CD1-CB 3.49Å; I308-E353 VanDerWaalsContact CD1-CB 3.49Å; I308-E353 HydrophobicContact CD1-CG 3.94Å
309	K	93.8	Very high	93.4	Very high	106 Å²	106	77.6 Å²	77.6	46%	0.461	39%	0.393	S	S	.	.	H	α-helix	trans	-55.7	-45.6	174.2	-176.4	170	-176.3	160.6	0	112	E305 S306 L311 F312 D313 I349	E305-K309 WeakPolarHBondContact O-CB 3.4Å; E305-K309 PolarHBondContact O-N 2.94Å; S306-K309 PolarHBondContact O-N 2.89Å; K309-L311 VanDerWaalsContact C-N 3.27Å; K309-L311 PolarHBondContact O-N 3.07Å; K309-F312 WeakPolarHBondContact O-CB 3.38Å; K309-F312 PolarHBondContact O-N 2.79Å; K309-F312 VanDerWaalsContact O-N 3.1Å; K309-D313 PolarHBondContact O-N 2.89Å; K309-I349 HydrophobicContact CB-CD1 4.08Å; K309-I349 HydrophobicContact CG-CD1 4.38Å
310	K	94.8	Very high	92.8	Very high	137 Å²	137	75.4 Å²	75.4	60%	0.596	39%	0.388	S	S	*	.	H	α-helix	trans	-59.7	-37.6	175.5	-175.1	177.9	179.7	-179.7	0	112.3	S306 N307 I308 D313 L314	S306-K310 PolarHBondContact O-N 3.28Å; N307-K310 PolarHBondContact O-N 2.73Å; I308-K310 VanDerWaalsContact C-N 3.31Å; I308-K310 PolarHBondContact O-N 3.35Å; K310-D313 PolarHBondContact O-N 2.88Å; K310-L314 WeakPolarHBondContact O-CG 3.44Å; K310-L314 PolarHBondContact O-N 3.44Å; K310-L314 VanDerWaalsContact O-N 3.08Å
311	L	93	Very high	92.1	Very high	97 Å²	97	80 Å²	80	51%	0.508	41%	0.407	S	S	.	.	H	α-helix	trans	-65	-43.3	174.1	-66.5	173	0	0	0	111.4	N307 I308 K309 D313 L314 V315	N307-L311 WeakPolarHBondContact O-CG 3.37Å; N307-L311 PolarHBondContact O-N 3.36Å; N307-L311 VanDerWaalsContact O-N 3.11Å; I308-L311 WeakPolarHBondContact O-CA 3.43Å; I308-L311 WeakPolarHBondContact O-CB 3.42Å; I308-L311 PolarHBondContact O-N 2.83Å; K309-L311 VanDerWaalsContact C-N 3.27Å; K309-L311 PolarHBondContact O-N 3.07Å; L311-D313 VanDerWaalsContact C-N 3.33Å; L311-D313 PolarHBondContact O-N 2.95Å; L311-L314 PolarHBondContact O-N 3.08Å; L311-V315 WeakPolarHBondContact O-CG2 3.44Å; L311-V315 PolarHBondContact O-N 3.32Å
312	F	91.3	Very high	91.3	Very high	30 Å²	30	84 Å²	84	13%	0.132	43%	0.427	C	S	.	.	H	α-helix	trans	-59.8	-42.5	173.8	-82.6	-76.7	0	0	0	112.2	I308 K309 L314 V315 Q316 L323 L345 L348 I349 I352	I308-F312 HydrophobicContact CG2-CD2 3.78Å; I308-F312 HydrophobicContact CG2-CE2 3.56Å; I308-F312 VanDerWaalsContact O-CD2 3.28Å; I308-F312 WeakPolarHBondContact O-CD2 3.37Å; I308-F312 PolarHBondContact O-N 3Å; K309-F312 WeakPolarHBondContact O-CB 3.38Å; K309-F312 PolarHBondContact O-N 2.79Å; K309-F312 VanDerWaalsContact O-N 3.1Å; F312-L314 VanDerWaalsContact C-N 3.3Å; F312-L314 PolarHBondContact O-N 2.84Å; F312-V315 PolarHBondContact O-N 3.01Å; F312-Q316 WeakPolarHBondContact O-CB 3.42Å; F312-Q316 PolarHBondContact O-N 2.71Å; F312-L323 HydrophobicContact CB-CD1 4.41Å; F312-L323 HydrophobicContact CD1-CD1 3.88Å; F312-L323 HydrophobicContact CD1-CD2 3.59Å; F312-L323 HydrophobicContact CD1-CG 4.42Å; F312-L323 HydrophobicContact CE1-CD2 3.75Å; F312-L345 HydrophobicContact CD1-CD1 3.94Å; F312-L345 HydrophobicContact CD2-CD1 4.27Å; F312-L345 HydrophobicContact CE1-CD1 4.09Å; F312-L345 HydrophobicContact CE2-CD1 4.42Å; F312-L345 HydrophobicContact CG-CD1 4.04Å; F312-L345 HydrophobicContact CZ-CD1 4.34Å; F312-L348 HydrophobicContact CE1-CD2 4.21Å; F312-L348 HydrophobicContact CZ-CD2 3.9Å; F312-L348 HydrophobicContact CZ-CG 4.27Å; F312-I349 HydrophobicContact CD2-CD1 4.36Å; F312-I349 HydrophobicContact CD2-CG1 3.9Å; F312-I349 HydrophobicContact CE2-CG1 3.88Å; F312-I352 HydrophobicContact CE2-CD1 3.8Å; F312-I352 HydrophobicContact CZ-CD1 3.62Å
313	D	90.7	Very high	90.1	Very high	79 Å²	79	80.9 Å²	80.9	42%	0.422	41%	0.414	S	S	.	.	H	α-helix	trans	-61.1	-39.2	176.6	-66.6	-25.9	0	0	0	111.9	K309 K310 L311 Q316 Q317	K309-D313 PolarHBondContact O-N 2.89Å; K310-D313 PolarHBondContact O-N 2.88Å; L311-D313 VanDerWaalsContact C-N 3.33Å; L311-D313 PolarHBondContact O-N 2.95Å; D313-Q316 PolarHBondContact O-N 2.93Å; D313-Q317 VanDerWaalsContact O-CG 3.28Å; D313-Q317 WeakPolarHBondContact O-CG 3.29Å; D313-Q317 PolarHBondContact O-N 2.69Å; D313-Q317 PolarHBondContact O-NE2 2.89Å
314	L	93.1	Very high	88.9	Confident	75 Å²	75	80.9 Å²	80.9	39%	0.393	42%	0.418	S	S	.	.	H	α-helix	trans	-68.1	-41.7	175.2	-70.2	171	0	0	0	112	K310 L311 F312 Q316 Q317 I318	K310-L314 WeakPolarHBondContact O-CG 3.44Å; K310-L314 PolarHBondContact O-N 3.44Å; K310-L314 VanDerWaalsContact O-N 3.08Å; L311-L314 PolarHBondContact O-N 3.08Å; F312-L314 VanDerWaalsContact C-N 3.3Å; F312-L314 PolarHBondContact O-N 2.84Å; L314-Q316 VanDerWaalsContact C-N 3.31Å; L314-Q316 PolarHBondContact O-N 2.7Å; L314-Q317 PolarHBondContact O-N 2.88Å; L314-I318 WeakPolarHBondContact O-CG1 3.44Å; L314-I318 PolarHBondContact O-N 2.84Å
315	V	90.8	Very high	87.2	Confident	53 Å²	53	84.1 Å²	84.1	32%	0.321	43%	0.432	S	S	.	.	H	α-helix	trans	-60.8	-43.4	174.9	171.2	0	0	0	0	110.4	L311 F312 Q317 I318 N319 I322 L323	L311-V315 WeakPolarHBondContact O-CG2 3.44Å; L311-V315 PolarHBondContact O-N 3.32Å; F312-V315 PolarHBondContact O-N 3.01Å; V315-Q317 VanDerWaalsContact C-N 3.3Å; V315-Q317 PolarHBondContact O-N 2.91Å; V315-I318 PolarHBondContact O-N 3.1Å; V315-N319 CarbonylContact O-C 3.49Å; V315-N319 PolarHBondContact O-N 2.84Å; V315-I322 HydrophobicContact CG1-CB 4.23Å; V315-I322 HydrophobicContact CG1-CD1 4.33Å; V315-I322 HydrophobicContact CG1-CG2 4.01Å; V315-L323 HydrophobicContact CG1-CD1 4.35Å; V315-L323 HydrophobicContact CG1-CD2 4.32Å; V315-L323 HydrophobicContact CG1-CG 4.15Å
316	Q	86.9	Confident	85.5	Confident	77 Å²	77	82.8 Å²	82.8	36%	0.36	44%	0.443	S	S	.	.	H	α-helix	trans	-60.2	-39.2	176.1	-173.1	61.2	44.2	0	0	112.2	F312 D313 L314 P320 L323	F312-Q316 WeakPolarHBondContact O-CB 3.42Å; F312-Q316 PolarHBondContact O-N 2.71Å; D313-Q316 PolarHBondContact O-N 2.93Å; L314-Q316 VanDerWaalsContact C-N 3.31Å; L314-Q316 PolarHBondContact O-N 2.7Å; Q316-P320 PolarHBondContact NE2-O 3.03Å; Q316-P320 WeakPolarHBondContact O-CA 3.25Å; Q316-P320 WeakPolarHBondContact O-CD 3.36Å; Q316-P320 WeakPolarHBondContact O-CG 3.33Å; Q316-L323 HydrophobicContact CB-CD1 4Å
317	Q	89.8	Confident	83.7	Confident	148 Å²	148	80.1 Å²	80.1	69%	0.692	42%	0.421	S	S	*	.	H	α-helix	trans	-68.1	-41.4	177.1	-73.5	169.5	45.7	0	0	112.5	D313 L314 V315	D313-Q317 VanDerWaalsContact O-CG 3.28Å; D313-Q317 WeakPolarHBondContact O-CG 3.29Å; D313-Q317 PolarHBondContact O-N 2.69Å; D313-Q317 PolarHBondContact O-NE2 2.89Å; L314-Q317 PolarHBondContact O-N 2.88Å; V315-Q317 VanDerWaalsContact C-N 3.3Å; V315-Q317 PolarHBondContact O-N 2.91Å
318	I	92.8	Very high	81.4	Confident	144 Å²	144	80.3 Å²	80.3	74%	0.738	42%	0.422	S	S	*	.	H	α-helix	trans	-74.6	-43.8	-177.2	-67	166.3	0	0	0	111.1	L314 V315	L314-I318 WeakPolarHBondContact O-CG1 3.44Å; L314-I318 PolarHBondContact O-N 2.84Å; V315-I318 PolarHBondContact O-N 3.1Å
319	N	86.5	Confident	79.1	Confident	62 Å²	62	84.6 Å²	84.6	33%	0.332	45%	0.445	S	S	.	.			trans	-147.5	94.3	179.7	-172	-16	0	0	0	111	V315 F321 I322	V315-N319 CarbonylContact O-C 3.49Å; V315-N319 PolarHBondContact O-N 2.84Å; N319-F321 PolarHBondContact O-N 3.39Å; N319-F321 PolarHBondContact OD1-N 2.78Å; N319-I322 HydrophobicContact CB-CD1 3.64Å; N319-I322 HydrophobicContact CB-CG1 3.87Å; N319-I322 PolarHBondContact O-N 2.87Å
320	P	81.3	Confident	76.7	Confident	64 Å²	64	88.2 Å²	88.2	42%	0.416	46%	0.463	S	S	.	.	H	α-helix	trans	-57.6	-24.5	-178.1	-27.8	34.5	0	0	0	115.2	Q316	Q316-P320 PolarHBondContact NE2-O 3.03Å; Q316-P320 WeakPolarHBondContact O-CA 3.25Å; Q316-P320 WeakPolarHBondContact O-CD 3.36Å; Q316-P320 WeakPolarHBondContact O-CG 3.33Å
321	F	82.2	Confident	74.1	Confident	149 Å²	149	83.7 Å²	83.7	65%	0.654	46%	0.456	S	S	*	.	H	α-helix	trans	-78.6	-20.7	-174.9	-60.4	-77.4	0	0	0	113.6	N319 S324 N325	N319-F321 PolarHBondContact O-N 3.39Å; N319-F321 PolarHBondContact OD1-N 2.78Å; F321-S324 WeakPolarHBondContact CA-OG 3.46Å; F321-S324 PolarHBondContact O-OG 3.14Å; F321-N325 PolarHBondContact O-N 2.82Å
322	I	78.3	Confident	71.6	Confident	99 Å²	99	84.6 Å²	84.6	51%	0.508	47%	0.465	S	S	.	.	H	α-helix	trans	-63.5	-46.3	-178.1	-67.8	178.8	0	0	0	110.4	V315 N319	V315-I322 HydrophobicContact CG1-CB 4.23Å; V315-I322 HydrophobicContact CG1-CD1 4.33Å; V315-I322 HydrophobicContact CG1-CG2 4.01Å; N319-I322 HydrophobicContact CB-CD1 3.64Å; N319-I322 HydrophobicContact CB-CG1 3.87Å; N319-I322 PolarHBondContact O-N 2.87Å
323	L	71.8	Confident	69.1	Low	24 Å²	24	91.5 Å²	91.5	13%	0.126	50%	0.503	C	S	.	.	H	α-helix	trans	-86.3	-30	-176.8	-59.1	-179.9	0	0	0	112.3	F312 V315 Q316 N325 G326 L327	F312-L323 HydrophobicContact CB-CD1 4.41Å; F312-L323 HydrophobicContact CD1-CD1 3.88Å; F312-L323 HydrophobicContact CD1-CD2 3.59Å; F312-L323 HydrophobicContact CD1-CG 4.42Å; F312-L323 HydrophobicContact CE1-CD2 3.75Å; V315-L323 HydrophobicContact CG1-CD1 4.35Å; V315-L323 HydrophobicContact CG1-CD2 4.32Å; V315-L323 HydrophobicContact CG1-CG 4.15Å; Q316-L323 HydrophobicContact CB-CD1 4Å; L323-N325 VanDerWaalsContact C-N 3.34Å; L323-N325 PolarHBondContact O-N 2.61Å; L323-G326 PolarHBondContact O-N 3.38Å; L323-L327 HydrophobicContact CB-CD1 4.2Å; L323-L327 PolarHBondContact O-N 3.09Å
324	S	68.9	Low	66.7	Low	42 Å²	42	92 Å²	92	29%	0.294	51%	0.51	S	S	.	.	H	α-helix	trans	-61.7	-41.3	177.8	68.9	0	0	0	0	111.7	F321 L328	F321-S324 WeakPolarHBondContact CA-OG 3.46Å; F321-S324 PolarHBondContact O-OG 3.14Å; S324-L328 WeakPolarHBondContact O-CD1 3.21Å; S324-L328 WeakPolarHBondContact O-CG 3.42Å
325	N	61.2	Low	64.4	Low	116 Å²	116	94.9 Å²	94.9	62%	0.62	54%	0.536	S	S	*	.	H	α-helix	trans	-77.8	-21.8	-176.7	-69.2	-9.7	0	0	0	113.9	F321 L323	F321-N325 PolarHBondContact O-N 2.82Å; L323-N325 VanDerWaalsContact C-N 3.34Å; L323-N325 PolarHBondContact O-N 2.61Å
326	G	60.1	Low	62.4	Low	64 Å²	64	96.4 Å²	96.4	66%	0.66	55%	0.549	S	S	*	.	H	α-helix	trans	-95.4	-24.9	-175.3	0	0	0	0	0	115.4	L323	L323-G326 PolarHBondContact O-N 3.38Å
327	L	59.7	Low	60.6	Low	31 Å²	31	97.2 Å²	97.2	16%	0.162	56%	0.559	C	S	.	*	H	α-helix	trans	-103	-13	-175.4	-66.4	165.5	0	0	0	113.7	L323 D329 N341 K344 L345 L348	L323-L327 HydrophobicContact CB-CD1 4.2Å; L323-L327 PolarHBondContact O-N 3.09Å; L327-D329 PolarHBondContact O-N 3.32Å; L327-N341 PolarHBondContact O-OD1 2.71Å; L327-K344 HydrophobicContact CD2-CB 4.41Å; L327-L345 HydrophobicContact CD1-CB 4.24Å; L327-L345 HydrophobicContact CD1-CD1 4Å; L327-L345 HydrophobicContact CD2-CB 4.42Å; L327-L348 HydrophobicContact CD2-CD2 4.17Å
328	L	47.2	Very low	58.8	Low	85 Å²	85	92.5 Å²	92.5	45%	0.445	55%	0.55	S	S	.	*	S	Bend	trans	-70.3	126.3	176.6	-73.5	171.2	0	0	0	110.6	S324 H330	S324-L328 WeakPolarHBondContact O-CD1 3.21Å; S324-L328 WeakPolarHBondContact O-CG 3.42Å; L328-H330 PolarHBondContact O-N 2.78Å
329	D	47.1	Very low	57	Low	95 Å²	95	92.2 Å²	92.2	51%	0.508	55%	0.55	S	S	.	*			trans	-65.4	114.4	165.5	-140.2	-20.9	0	0	0	109.2	L327 G331 K344	L327-D329 PolarHBondContact O-N 3.32Å; D329-G331 PolarHBondContact O-N 2.84Å; D329-K344 IonicContact OD1-NZ 3.97Å; D329-K344 PolarHBondContact OD1-NZ 2.75Å; D329-K344 IonicContact OD2-NZ 3.03Å; D329-K344 PolarHBondContact OD2-NZ 2.89Å
330	H	42.7	Very low	55.7	Low	181 Å²	181	91.5 Å²	91.5	84%	0.838	55%	0.55	S	S	*	.	S	Bend	trans	-73.6	14.4	176.7	-98.6	-62.9	0	0	0	113.8	L328	L328-H330 PolarHBondContact O-N 2.78Å
331	G	41.8	Very low	54.8	Low	43 Å²	43	90.3 Å²	90.3	44%	0.443	54%	0.54	S	S	.	.	S	Bend	trans	-155.9	89.1	175.9	0	0	0	0	0	113.1	D329	D329-G331 PolarHBondContact O-N 2.84Å
332	T	38.9	Very low	54.2	Low	116 Å²	116	87 Å²	87	71%	0.712	53%	0.532	S	S	*	.				172.5	119.7	125.7	39.8	0	0	0	0	109.4	T334	T332-T334 VanDerWaalsContact C-N 3.3Å; T332-T334 PolarHBondContact O-N 2.85Å
333	N	40.4	Very low	54.1	Low	174 Å²	174	86 Å²	86	93%	0.93	53%	0.531	S	S	*	.			trans	-69	82.8	172	-75.4	-29.7	0	0	0	109.9
334	T	39.6	Very low	54.7	Low	91 Å²	91	88.3 Å²	88.3	56%	0.558	54%	0.54	S	S	*	.			trans	-143.8	133.6	165.3	51.6	0	0	0	0	111.3	T332 S336	T332-T334 VanDerWaalsContact C-N 3.3Å; T332-T334 PolarHBondContact O-N 2.85Å; T334-S336 PolarHBondContact O-N 2.83Å
335	S	45.3	Very low	55.5	Low	134 Å²	134	88.1 Å²	88.1	94%	0.937	54%	0.535	S	S	*	.	S	Bend	trans	-65.4	28.7	-163.6	-30.8	0	0	0	0	117.2
336	S	48.9	Very low	56.8	Low	86 Å²	86	85.6 Å²	85.6	60%	0.601	52%	0.521	S	S	*	.			trans	-111	38.3	176.7	61.6	0	0	0	0	112.3	T334 G338	T334-S336 PolarHBondContact O-N 2.83Å; S336-G338 VanDerWaalsContact C-N 3.27Å; S336-G338 PolarHBondContact O-N 3.4Å
337	V	49.1	Very low	58.3	Low	94 Å²	94	84 Å²	84	57%	0.57	50%	0.5	S	S	*	.	H	α-helix	trans	-65.6	-18.4	-165.5	179.2	0	0	0	0	114.5
338	G	50.4	Low	59.7	Low	49 Å²	49	85.8 Å²	85.8	51%	0.505	51%	0.509	S	S	.	.	H	α-helix	trans	-74.2	-48.2	-176.5	0	0	0	0	0	114.6	S336 V342	S336-G338 VanDerWaalsContact C-N 3.27Å; S336-G338 PolarHBondContact O-N 3.4Å; G338-V342 WeakPolarHBondContact O-CG2 3.34Å
339	N	55	Low	61.9	Low	137 Å²	137	82 Å²	82	73%	0.733	49%	0.49	S	S	*	.	H	α-helix	trans	-79.8	-34.9	-168.2	-79.1	10.4	0	0	0	113.8	V342 T343	N339-V342 PolarHBondContact O-N 2.87Å; N339-T343 WeakPolarHBondContact O-CG2 3.2Å; N339-T343 PolarHBondContact O-N 2.8Å; N339-T343 VanDerWaalsContact O-N 3.13Å; N339-T343 PolarHBondContact O-OG1 2.66Å
340	S	59.7	Low	64.2	Low	47 Å²	47	81.8 Å²	81.8	33%	0.329	49%	0.485	S	S	.	.	H	α-helix	trans	-64.9	-41.9	-177.5	51.1	0	0	0	0	112.2	T343 K344	S340-T343 PolarHBondContact O-N 2.91Å; S340-T343 PolarHBondContact O-OG1 2.87Å; S340-K344 PolarHBondContact O-N 2.79Å; S340-K344 VanDerWaalsContact O-N 3.14Å
341	N	63.1	Low	66.7	Low	40 Å²	40	76.3 Å²	76.3	21%	0.214	47%	0.465	C	S	.	.	H	α-helix	trans	-68.6	-39.1	-179.9	-69	-12.9	0	0	0	112.2	L327 K344 L345	L327-N341 PolarHBondContact O-OD1 2.71Å; N341-K344 PolarHBondContact O-N 2.78Å; N341-L345 PolarHBondContact O-N 2.93Å; N341-L345 VanDerWaalsContact O-N 3.09Å
342	V	68.7	Low	69.3	Low	80 Å²	80	77.1 Å²	77.1	49%	0.485	46%	0.458	S	S	.	.	H	α-helix	trans	-60	-47.3	175.1	174.5	0	0	0	0	110	G338 N339 K344 L345 D346	G338-V342 WeakPolarHBondContact O-CG2 3.34Å; N339-V342 PolarHBondContact O-N 2.87Å; V342-K344 VanDerWaalsContact C-N 3.33Å; V342-K344 PolarHBondContact O-N 3.06Å; V342-L345 PolarHBondContact O-N 2.81Å; V342-D346 WeakPolarHBondContact CG1-OD2 3.38Å; V342-D346 PolarHBondContact O-N 2.89Å
343	T	77.1	Confident	72.1	Confident	77 Å²	77	73.8 Å²	73.8	47%	0.472	44%	0.435	S	S	.	.	H	α-helix	trans	-64.4	-32.8	179.2	59.2	0	0	0	0	114.1	N339 S340 C347	N339-T343 WeakPolarHBondContact O-CG2 3.2Å; N339-T343 PolarHBondContact O-N 2.8Å; N339-T343 VanDerWaalsContact O-N 3.13Å; N339-T343 PolarHBondContact O-OG1 2.66Å; S340-T343 PolarHBondContact O-N 2.91Å; S340-T343 PolarHBondContact O-OG1 2.87Å; T343-C347 WeakPolarHBondContact O-CB 3.35Å; T343-C347 PolarHBondContact O-N 3.15Å; T343-C347 VanDerWaalsContact O-N 3.1Å
344	K	84.2	Confident	74.7	Confident	72 Å²	72	68 Å²	68	31%	0.313	41%	0.411	S	S	.	.	H	α-helix	trans	-68.4	-41.7	175	-75	-177.4	-178.4	-175.8	0	111.9	L327 D329 S340 N341 V342 L348	L327-K344 HydrophobicContact CD2-CB 4.41Å; D329-K344 IonicContact OD1-NZ 3.97Å; D329-K344 PolarHBondContact OD1-NZ 2.75Å; D329-K344 IonicContact OD2-NZ 3.03Å; D329-K344 PolarHBondContact OD2-NZ 2.89Å; S340-K344 PolarHBondContact O-N 2.79Å; S340-K344 VanDerWaalsContact O-N 3.14Å; N341-K344 PolarHBondContact O-N 2.78Å; V342-K344 VanDerWaalsContact C-N 3.33Å; V342-K344 PolarHBondContact O-N 3.06Å; K344-L348 WeakPolarHBondContact O-CB 3.36Å; K344-L348 PolarHBondContact O-N 3.12Å
345	L	85.3	Confident	77.5	Confident	39 Å²	39	69.2 Å²	69.2	20%	0.204	41%	0.414	C	S	.	.	H	α-helix	trans	-65.5	-45.8	176.9	178	59.2	0	0	0	111.2	F312 L327 N341 V342 C347 L348 I349	F312-L345 HydrophobicContact CD1-CD1 3.94Å; F312-L345 HydrophobicContact CD2-CD1 4.27Å; F312-L345 HydrophobicContact CE1-CD1 4.09Å; F312-L345 HydrophobicContact CE2-CD1 4.42Å; F312-L345 HydrophobicContact CG-CD1 4.04Å; F312-L345 HydrophobicContact CZ-CD1 4.34Å; L327-L345 HydrophobicContact CD1-CB 4.24Å; L327-L345 HydrophobicContact CD1-CD1 4Å; L327-L345 HydrophobicContact CD2-CB 4.42Å; N341-L345 PolarHBondContact O-N 2.93Å; N341-L345 VanDerWaalsContact O-N 3.09Å; V342-L345 PolarHBondContact O-N 2.81Å; L345-C347 VanDerWaalsContact C-N 3.33Å; L345-C347 PolarHBondContact O-N 2.99Å; L345-L348 WeakPolarHBondContact O-CB 3.44Å; L345-L348 PolarHBondContact O-N 3.49Å; L345-L348 VanDerWaalsContact O-N 3.12Å; L345-I349 HydrophobicContact CD1-CD1 4.05Å; L345-I349 HydrophobicContact CD1-CG1 4.16Å; L345-I349 HydrophobicContact CG-CD1 3.85Å; L345-I349 HydrophobicContact CG-CG1 4.4Å; L345-I349 VanDerWaalsContact O-CG1 3.3Å; L345-I349 WeakPolarHBondContact O-CG1 3.43Å; L345-I349 PolarHBondContact O-N 3.05Å
346	D	89	Confident	80	Confident	62 Å²	62	66.8 Å²	66.8	33%	0.332	38%	0.384	S	S	.	.	H	α-helix	trans	-59.6	-45.1	178.1	-66	-29.2	0	0	0	110.9	V342 L348 I349 E350	V342-D346 WeakPolarHBondContact CG1-OD2 3.38Å; V342-D346 PolarHBondContact O-N 2.89Å; D346-L348 VanDerWaalsContact C-N 3.32Å; D346-L348 PolarHBondContact O-N 3.4Å; D346-I349 WeakPolarHBondContact O-CB 3.09Å; D346-I349 PolarHBondContact O-N 3.05Å; D346-I349 VanDerWaalsContact O-N 3.17Å; D346-E350 WeakPolarHBondContact O-CG 3.15Å; D346-E350 PolarHBondContact O-N 2.93Å
347	C	90.6	Very high	82.2	Confident	32 Å²	32	63.5 Å²	63.5	22%	0.216	36%	0.36	C	S	.	.	H	α-helix	trans	-62.4	-37	175.2	-178	0	0	0	0	113	T343 L345 T351	T343-C347 WeakPolarHBondContact O-CB 3.35Å; T343-C347 PolarHBondContact O-N 3.15Å; T343-C347 VanDerWaalsContact O-N 3.1Å; L345-C347 VanDerWaalsContact C-N 3.33Å; L345-C347 PolarHBondContact O-N 2.99Å; C347-T351 WeakPolarHBondContact O-CB 3.3Å; C347-T351 PolarHBondContact O-N 3.15Å; C347-T351 PolarHBondContact O-OG1 2.85Å
348	L	90.5	Very high	84.4	Confident	67 Å²	67	63 Å²	63	35%	0.351	35%	0.35	S	S	.	.	H	α-helix	trans	-66.9	-41.1	174.6	179.3	61.6	0	0	0	111.3	F312 L327 K344 L345 D346 T351 I352	F312-L348 HydrophobicContact CE1-CD2 4.21Å; F312-L348 HydrophobicContact CZ-CD2 3.9Å; F312-L348 HydrophobicContact CZ-CG 4.27Å; L327-L348 HydrophobicContact CD2-CD2 4.17Å; K344-L348 WeakPolarHBondContact O-CB 3.36Å; K344-L348 PolarHBondContact O-N 3.12Å; L345-L348 WeakPolarHBondContact O-CB 3.44Å; L345-L348 PolarHBondContact O-N 3.49Å; L345-L348 VanDerWaalsContact O-N 3.12Å; D346-L348 VanDerWaalsContact C-N 3.32Å; D346-L348 PolarHBondContact O-N 3.4Å; L348-T351 PolarHBondContact O-N 3.13Å; L348-I352 HydrophobicContact CD1-CD1 3.95Å; L348-I352 HydrophobicContact CD1-CG1 4.18Å; L348-I352 HydrophobicContact CG-CD1 3.83Å; L348-I352 HydrophobicContact CG-CG1 4.45Å; L348-I352 WeakPolarHBondContact O-CB 3.29Å; L348-I352 VanDerWaalsContact O-CG1 3.28Å; L348-I352 WeakPolarHBondContact O-CG1 3.4Å; L348-I352 PolarHBondContact O-N 2.89Å
349	I	93.4	Very high	86.6	Confident	6 Å²	6	64.4 Å²	64.4	3%	0.031	35%	0.352	C	S	.	.	H	α-helix	trans	-61	-50.7	176.2	-70.7	167.6	0	0	0	110.2	E305 I308 K309 F312 L345 D346 T351 I352 E353	E305-I349 HydrophobicContact CB-CG2 3.77Å; E305-I349 HydrophobicContact CG-CG2 4.11Å; I308-I349 HydrophobicContact CB-CG2 4.15Å; I308-I349 HydrophobicContact CG2-CB 4.36Å; I308-I349 HydrophobicContact CG2-CG1 4.1Å; I308-I349 HydrophobicContact CG2-CG2 4.02Å; K309-I349 HydrophobicContact CB-CD1 4.08Å; K309-I349 HydrophobicContact CG-CD1 4.38Å; F312-I349 HydrophobicContact CD2-CD1 4.36Å; F312-I349 HydrophobicContact CD2-CG1 3.9Å; F312-I349 HydrophobicContact CE2-CG1 3.88Å; L345-I349 HydrophobicContact CD1-CD1 4.05Å; L345-I349 HydrophobicContact CD1-CG1 4.16Å; L345-I349 HydrophobicContact CG-CD1 3.85Å; L345-I349 HydrophobicContact CG-CG1 4.4Å; L345-I349 VanDerWaalsContact O-CG1 3.3Å; L345-I349 WeakPolarHBondContact O-CG1 3.43Å; L345-I349 PolarHBondContact O-N 3.05Å; D346-I349 WeakPolarHBondContact O-CB 3.09Å; D346-I349 PolarHBondContact O-N 3.05Å; D346-I349 VanDerWaalsContact O-N 3.17Å; I349-T351 VanDerWaalsContact C-N 3.27Å; I349-T351 PolarHBondContact O-N 3.49Å; I349-I352 PolarHBondContact O-N 2.89Å; I349-E353 WeakPolarHBondContact O-CB 3.23Å; I349-E353 PolarHBondContact O-N 2.79Å
350	E	94.9	Very high	88.5	Confident	90 Å²	90	58.4 Å²	58.4	42%	0.421	32%	0.32	S	S	.	.	H	α-helix	trans	-55.5	-43	175.2	-71.8	174.2	-167.6	0	0	111.3	D346 A354	D346-E350 WeakPolarHBondContact O-CG 3.15Å; D346-E350 PolarHBondContact O-N 2.93Å; E350-A354 WeakPolarHBondContact O-CB 3.22Å; E350-A354 PolarHBondContact O-N 3.47Å
351	T	95.4	Very high	90.3	Very high	66 Å²	66	59.4 Å²	59.4	41%	0.405	32%	0.321	S	S	.	.	H	α-helix	trans	-66.6	-44.6	179.6	-58.7	0	0	0	0	111.9	C347 L348 I349 A354 L355	C347-T351 WeakPolarHBondContact O-CB 3.3Å; C347-T351 PolarHBondContact O-N 3.15Å; C347-T351 PolarHBondContact O-OG1 2.85Å; L348-T351 PolarHBondContact O-N 3.13Å; I349-T351 VanDerWaalsContact C-N 3.27Å; I349-T351 PolarHBondContact O-N 3.49Å; T351-A354 PolarHBondContact O-N 2.93Å; T351-L355 HydrophobicContact CG2-CD1 3.91Å; T351-L355 HydrophobicContact CG2-CG 4.38Å; T351-L355 WeakPolarHBondContact O-CB 3.45Å; T351-L355 VanDerWaalsContact O-CG 3.26Å; T351-L355 WeakPolarHBondContact O-CG 3.18Å; T351-L355 PolarHBondContact O-N 3.16Å
352	I	96	Very high	91.9	Very high	60 Å²	60	58.6 Å²	58.6	31%	0.308	32%	0.315	S	S	.	.	H	α-helix	trans	-64.2	-44.5	178	-71.2	167.6	0	0	0	110.2	I308 F312 L348 I349 A354 L355 Y356	I308-I352 HydrophobicContact CD1-CG2 4.03Å; I308-I352 HydrophobicContact CG1-CG2 4.43Å; I308-I352 HydrophobicContact CG2-CB 4.49Å; I308-I352 HydrophobicContact CG2-CG2 4.18Å; F312-I352 HydrophobicContact CE2-CD1 3.8Å; F312-I352 HydrophobicContact CZ-CD1 3.62Å; L348-I352 HydrophobicContact CD1-CD1 3.95Å; L348-I352 HydrophobicContact CD1-CG1 4.18Å; L348-I352 HydrophobicContact CG-CD1 3.83Å; L348-I352 HydrophobicContact CG-CG1 4.45Å; L348-I352 WeakPolarHBondContact O-CB 3.29Å; L348-I352 VanDerWaalsContact O-CG1 3.28Å; L348-I352 WeakPolarHBondContact O-CG1 3.4Å; L348-I352 PolarHBondContact O-N 2.89Å; I349-I352 PolarHBondContact O-N 2.89Å; I352-A354 PolarHBondContact O-N 2.86Å; I352-L355 PolarHBondContact O-N 3.03Å; I352-Y356 VanDerWaalsContact O-CB 3.22Å; I352-Y356 WeakPolarHBondContact O-CB 3.46Å; I352-Y356 PolarHBondContact O-N 2.98Å
353	E	97.3	Very high	93.2	Very high	47 Å²	47	56.2 Å²	56.2	22%	0.22	30%	0.3	C	S	.	.	H	α-helix	trans	-56.8	-51.6	177	-166.4	-157.1	-159	0	0	110.6	L303 S304 E305 I308 I349 L355 Y356 N357	L303-E353 VanDerWaalsContact O-CG 3.3Å; L303-E353 WeakPolarHBondContact O-CG 3.27Å; S304-E353 WeakPolarHBondContact CA-OE1 3.48Å; E305-E353 HydrophobicContact CG-CB 4.47Å; E305-E353 HydrophobicContact CG-CG 4.44Å; E305-E353 WeakPolarHBondContact CG-OE2 3.19Å; E305-E353 PolarHBondContact N-OE1 3Å; I308-E353 VanDerWaalsContact CD1-CA 3.42Å; I308-E353 HydrophobicContact CD1-CB 3.49Å; I308-E353 VanDerWaalsContact CD1-CB 3.49Å; I308-E353 HydrophobicContact CD1-CG 3.94Å; I349-E353 WeakPolarHBondContact O-CB 3.23Å; I349-E353 PolarHBondContact O-N 2.79Å; E353-L355 PolarHBondContact O-N 2.92Å; E353-Y356 PolarHBondContact O-N 3.45Å; E353-N357 WeakPolarHBondContact CG-ND2 3.4Å; E353-N357 VanDerWaalsContact O-CB 3.23Å; E353-N357 WeakPolarHBondContact O-CB 3.33Å; E353-N357 PolarHBondContact O-N 3.26Å; E353-N357 PolarHBondContact O-ND2 3.44Å
354	A	96.4	Very high	94.2	Very high	53 Å²	53	53.4 Å²	53.4	44%	0.438	28%	0.283	S	S	.	.	H	α-helix	trans	-60.4	-45.6	179.6	0	0	0	0	0	112.1	E350 T351 I352 K358	E350-A354 WeakPolarHBondContact O-CB 3.22Å; E350-A354 PolarHBondContact O-N 3.47Å; T351-A354 PolarHBondContact O-N 2.93Å; I352-A354 PolarHBondContact O-N 2.86Å; A354-K358 WeakPolarHBondContact O-CB 3.26Å; A354-K358 PolarHBondContact O-N 3.2Å
355	L	97.6	Very high	94.8	Very high	115 Å²	115	51.7 Å²	51.7	60%	0.602	28%	0.276	S	S	*	.	H	α-helix	trans	-67.8	-43.8	-179.3	-71.6	175.3	0	0	0	112.5	T351 I352 E353 K358 S359	T351-L355 HydrophobicContact CG2-CD1 3.91Å; T351-L355 HydrophobicContact CG2-CG 4.38Å; T351-L355 WeakPolarHBondContact O-CB 3.45Å; T351-L355 VanDerWaalsContact O-CG 3.26Å; T351-L355 WeakPolarHBondContact O-CG 3.18Å; T351-L355 PolarHBondContact O-N 3.16Å; I352-L355 PolarHBondContact O-N 3.03Å; E353-L355 PolarHBondContact O-N 2.92Å; L355-K358 PolarHBondContact O-N 2.84Å; L355-S359 PolarHBondContact O-N 3.32Å; L355-S359 VanDerWaalsContact O-N 3.09Å
356	Y	96.7	Very high	95.4	Very high	83 Å²	83	53 Å²	53	33%	0.325	28%	0.283	S	S	.	.	H	α-helix	trans	-66	-47.9	178.5	-179.9	-86.7	0	0	0	111	N301 L303 I352 E353 K358 S359 F360	N301-Y356 WeakPolarHBondContact O-CE1 3.44Å; L303-Y356 HydrophobicContact CB-CD1 3.97Å; L303-Y356 HydrophobicContact CB-CE1 4.11Å; L303-Y356 HydrophobicContact CD1-CD1 3.65Å; L303-Y356 HydrophobicContact CD1-CD2 4.09Å; L303-Y356 HydrophobicContact CD1-CE1 3.51Å; L303-Y356 HydrophobicContact CD1-CE2 3.96Å; L303-Y356 HydrophobicContact CD1-CG 3.95Å; L303-Y356 HydrophobicContact CG-CD1 3.73Å; L303-Y356 HydrophobicContact CG-CE1 3.41Å; L303-Y356 VanDerWaalsContact CG-CE1 3.41Å; I352-Y356 VanDerWaalsContact O-CB 3.22Å; I352-Y356 WeakPolarHBondContact O-CB 3.46Å; I352-Y356 PolarHBondContact O-N 2.98Å; E353-Y356 PolarHBondContact O-N 3.45Å; Y356-K358 PolarHBondContact O-N 3.36Å; Y356-S359 PolarHBondContact O-N 2.79Å; Y356-S359 VanDerWaalsContact O-N 3.1Å; Y356-S359 PolarHBondContact O-OG 3.47Å; Y356-F360 HydrophobicContact CD1-CE2 4.04Å; Y356-F360 HydrophobicContact CE1-CD2 4.38Å; Y356-F360 AromaticContact CE1-CE2 3.48Å; Y356-F360 HydrophobicContact CE1-CE2 3.48Å; Y356-F360 VanDerWaalsContact CE1-CE2 3.48Å; Y356-F360 HydrophobicContact CE1-CZ 4.24Å; Y356-F360 HydrophobicContact CE2-CE2 4.21Å; Y356-F360 AromaticContact CZ-CE2 3.58Å; Y356-F360 AromaticContact CZ-CZ 3.94Å; Y356-F360 WeakPolarHBondContact O-CD2 3.42Å
357	N	96.6	Very high	95.8	Very high	17 Å²	17	52.4 Å²	52.4	9%	0.091	28%	0.284	C	S	.	.	H	α-helix	trans	-64.9	-33.9	179.3	-68.1	-12.1	0	0	0	111.4	H298 K302 L303 E353 S359	H298-N357 PolarHBondContact CE1-O 2.94Å; H298-N357 VanDerWaalsContact CE1-O 3.29Å; K302-N357 WeakPolarHBondContact CA-OD1 3.45Å; K302-N357 HydrophobicContact CB-CB 4.46Å; K302-N357 VanDerWaalsContact CB-OD1 3.31Å; K302-N357 WeakPolarHBondContact CB-OD1 3.43Å; L303-N357 PolarHBondContact N-OD1 3.12Å; L303-N357 PolarHBondContact O-ND2 3.13Å; L303-N357 PolarHBondContact O-OD1 3Å; E353-N357 WeakPolarHBondContact CG-ND2 3.4Å; E353-N357 VanDerWaalsContact O-CB 3.23Å; E353-N357 WeakPolarHBondContact O-CB 3.33Å; E353-N357 PolarHBondContact O-N 3.26Å; E353-N357 PolarHBondContact O-ND2 3.44Å; N357-S359 VanDerWaalsContact C-N 3.34Å
358	K	94.9	Very high	96	Very high	84 Å²	84	55 Å²	55	37%	0.365	29%	0.293	S	S	.	.	H	α-helix	trans	-68.9	-27.2	174.7	-177.2	171.4	-178.8	171.5	0	113.4	A354 L355 Y356 F360 I361	A354-K358 WeakPolarHBondContact O-CB 3.26Å; A354-K358 PolarHBondContact O-N 3.2Å; L355-K358 PolarHBondContact O-N 2.84Å; Y356-K358 PolarHBondContact O-N 3.36Å; K358-F360 PolarHBondContact O-N 3.44Å; K358-I361 PolarHBondContact O-N 3.26Å
359	S	95.7	Very high	96.4	Very high	78 Å²	78	51.9 Å²	51.9	55%	0.545	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-16.2	-178.3	70.6	0	0	0	0	114	L355 Y356 N357	L355-S359 PolarHBondContact O-N 3.32Å; L355-S359 VanDerWaalsContact O-N 3.09Å; Y356-S359 PolarHBondContact O-N 2.79Å; Y356-S359 VanDerWaalsContact O-N 3.1Å; Y356-S359 PolarHBondContact O-OG 3.47Å; N357-S359 VanDerWaalsContact C-N 3.34Å
360	F	95.5	Very high	96.6	Very high	11 Å²	11	51.8 Å²	51.8	5%	0.048	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-7.8	174.3	-64.9	-82.6	0	0	0	113.4	S293 N301 Y356 K358 M370	S293-F360 WeakPolarHBondContact CB-O 3.4Å; N301-F360 HydrophobicContact CB-CB 4.43Å; N301-F360 HydrophobicContact CB-CD1 3.66Å; N301-F360 HydrophobicContact CB-CD2 3.92Å; N301-F360 HydrophobicContact CB-CE1 3.81Å; N301-F360 HydrophobicContact CB-CE2 4.08Å; N301-F360 HydrophobicContact CB-CG 3.72Å; N301-F360 HydrophobicContact CB-CZ 4.02Å; Y356-F360 HydrophobicContact CD1-CE2 4.04Å; Y356-F360 HydrophobicContact CE1-CD2 4.38Å; Y356-F360 AromaticContact CE1-CE2 3.48Å; Y356-F360 HydrophobicContact CE1-CE2 3.48Å; Y356-F360 VanDerWaalsContact CE1-CE2 3.48Å; Y356-F360 HydrophobicContact CE1-CZ 4.24Å; Y356-F360 HydrophobicContact CE2-CE2 4.21Å; Y356-F360 AromaticContact CZ-CE2 3.58Å; Y356-F360 AromaticContact CZ-CZ 3.94Å; Y356-F360 WeakPolarHBondContact O-CD2 3.42Å; K358-F360 PolarHBondContact O-N 3.44Å; F360-M370 HydrophobicContact CB-CE 4.29Å; F360-M370 HydrophobicContact CD1-CE 4.04Å; F360-M370 HydrophobicContact CD1-SD 3.85Å
361	I	96.6	Very high	96.7	Very high	69 Å²	69	48.2 Å²	48.2	35%	0.354	26%	0.258	S	S	.	.			trans	-93.8	125.4	178.3	-58.7	175.1	0	0	0	108.7	S293 T294 K358	S293-I361 WeakPolarHBondContact OG-CA 3.31Å; T294-I361 HydrophobicContact CG2-CD1 4.2Å; T294-I361 HydrophobicContact CG2-CG1 4.19Å; T294-I361 HydrophobicContact CG2-CG2 3.72Å; K358-I361 PolarHBondContact O-N 3.26Å
362	F	97.5	Very high	96.9	Very high	22 Å²	22	45.3 Å²	45.3	10%	0.096	24%	0.241	C	C	.	.			trans	-134.1	169.2	-179.6	62.6	-80	0	0	0	111.7	T289 G290 S293 D366 M370 F390	T289-F362 WeakPolarHBondContact O-CZ 3.41Å; G290-F362 WeakPolarHBondContact CA-O 3.44Å; S293-F362 VanDerWaalsContact CB-CD1 3.5Å; S293-F362 VanDerWaalsContact CB-CE1 3.46Å; S293-F362 PolarHBondContact OG-N 3.08Å; F362-D366 HydrophobicContact CD2-CB 4.28Å; F362-M370 HydrophobicContact CE1-CB 3.75Å; F362-M370 HydrophobicContact CZ-CB 4.02Å; F362-F390 HydrophobicContact CB-CE1 4.32Å; F362-F390 HydrophobicContact CB-CZ 4.41Å; F362-F390 AromaticContact CD1-CE1 3.71Å; F362-F390 HydrophobicContact CD1-CE1 3.71Å; F362-F390 HydrophobicContact CD1-CZ 4.07Å; F362-F390 HydrophobicContact CD2-CE1 4.01Å; F362-F390 AromaticContact CE1-CE1 3.88Å; F362-F390 HydrophobicContact CE1-CE1 3.88Å; F362-F390 HydrophobicContact CE2-CE1 4.13Å; F362-F390 AromaticContact CG-CE1 3.77Å; F362-F390 HydrophobicContact CG-CE1 3.77Å; F362-F390 HydrophobicContact CG-CZ 4.24Å; F362-F390 HydrophobicContact CZ-CE1 4.07Å
363	N	97.1	Very high	96.9	Very high	31 Å²	31	42.8 Å²	42.8	17%	0.166	23%	0.228	C	C	.	.			trans	-69.4	129.5	-167.7	-176.2	-11.5	0	0	0	110	L19 E365 D366	L19-N363 HydrophobicContact CD2-CB 4.08Å; N363-E365 PolarHBondContact O-N 3.25Å; N363-E365 PolarHBondContact OD1-N 2.96Å; N363-D366 WeakPolarHBondContact CB-OD2 3.5Å; N363-D366 PolarHBondContact N-OD2 2.93Å; N363-D366 WeakPolarHBondContact O-CB 3.26Å; N363-D366 PolarHBondContact O-N 2.9Å
364	P	97.5	Very high	96.9	Very high	17 Å²	17	43.8 Å²	43.8	11%	0.11	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-18.3	174.6	25.8	-38.9	0	0	0	114.7	L182 R184 Q185 T291	L182-P364 HydrophobicContact CD1-CG 4Å; R184-P364 HydrophobicContact CG-CB 4.26Å; Q185-P364 WeakPolarHBondContact CG-O 3.22Å; Q185-P364 PolarHBondContact N-O 3.3Å; T291-P364 WeakPolarHBondContact OG1-CB 3.31Å
365	E	97.2	Very high	96.8	Very high	36 Å²	36	46.6 Å²	46.6	17%	0.168	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87	-10.4	176.9	-53.8	-167.1	107.3	0	0	113.8	L182 W183 Q185 N363 C367	L182-E365 HydrophobicContact CD1-CG 3.98Å; W183-E365 HydrophobicContact CB-CG 4.45Å; W183-E365 PolarHBondContact N-OE1 3.09Å; W183-E365 WeakPolarHBondContact O-CA 3.12Å; W183-E365 WeakPolarHBondContact O-CG 3.49Å; Q185-E365 WeakPolarHBondContact CG-O 3.45Å; Q185-E365 PolarHBondContact NE2-O 3.48Å; N363-E365 PolarHBondContact O-N 3.25Å; N363-E365 PolarHBondContact OD1-N 2.96Å; E365-C367 PolarHBondContact O-N 3.25Å
366	D	97.2	Very high	96.8	Very high	67 Å²	67	43 Å²	43	36%	0.358	22%	0.221	S	C	.	.			trans	-68.3	126.3	-179.8	-68.4	-22.7	0	0	0	110.9	Q185 F362 N363 Q368	Q185-D366 WeakPolarHBondContact CG-O 3.21Å; F362-D366 HydrophobicContact CD2-CB 4.28Å; N363-D366 WeakPolarHBondContact CB-OD2 3.5Å; N363-D366 PolarHBondContact N-OD2 2.93Å; N363-D366 WeakPolarHBondContact O-CB 3.26Å; N363-D366 PolarHBondContact O-N 2.9Å; D366-Q368 PolarHBondContact O-N 3.26Å
367	C	96.3	Very high	96.6	Very high	50 Å²	50	42.5 Å²	42.5	34%	0.338	22%	0.223	S	C	.	.	S	Bend	trans	-79	43.9	176.8	-62.6	0	0	0	0	112.4	Q185 E365 V425	Q185-C367 VanDerWaalsContact CD-SG 3.58Å; E365-C367 PolarHBondContact O-N 3.25Å; C367-V425 HydrophobicContact CB-CG1 4.45Å
368	Q	96.2	Very high	96.4	Very high	87 Å²	87	46.1 Å²	46.1	41%	0.407	24%	0.243	S	C	.	.			trans	-129.6	157	174	-67.5	-177.1	1.3	0	0	108.9	D366 F390	D366-Q368 PolarHBondContact O-N 3.26Å; Q368-F390 HydrophobicContact CB-CD1 4.43Å
369	M	97.9	Very high	96.2	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.005	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	151.9	170.1	52.4	-176.3	167.8	0	0	109.4	I287 S288 F390 A391 E393 L394 F423 V425	I287-M369 HydrophobicContact CG2-CB 3.95Å; I287-M369 HydrophobicContact CG2-CG 3.99Å; I287-M369 HydrophobicContact CG2-SD 3.36Å; I287-M369 WeakPolarHBondContact CG2-SD 3.45Å; S288-M369 CarbonylContact O-C 3.49Å; S288-M369 WeakPolarHBondContact O-CA 3.4Å; S288-M369 WeakPolarHBondContact O-CB 3.24Å; M369-F390 CarbonylContact O-C 3.53Å; M369-F390 WeakPolarHBondContact O-CA 3.36Å; M369-A391 HydrophobicContact CE-CB 4.01Å; M369-A391 HydrophobicContact CG-CB 4.21Å; M369-A391 VanDerWaalsContact CG-O 3.25Å; M369-A391 WeakPolarHBondContact CG-O 3.23Å; M369-A391 PolarHBondContact N-O 2.77Å; M369-A391 PolarHBondContact O-N 2.88Å; M369-E393 VanDerWaalsContact CE-C 3.44Å; M369-L394 HydrophobicContact CE-CB 3.43Å; M369-L394 VanDerWaalsContact CE-CB 3.43Å; M369-L394 VanDerWaalsContact CE-N 3.26Å; M369-L394 HydrophobicContact SD-CB 4.35Å; M369-F423 HydrophobicContact CE-CB 3.89Å; M369-F423 VanDerWaalsContact CE-O 3.26Å; M369-F423 WeakPolarHBondContact CE-O 3.3Å; M369-F423 HydrophobicContact SD-CB 3.75Å; M369-V425 HydrophobicContact CB-CG2 3.94Å; M369-V425 HydrophobicContact CG-CG2 4.24Å; M369-V425 HydrophobicContact SD-CG2 4.44Å
370	M	98.1	Very high	95.9	Very high	4 Å²	4	46.6 Å²	46.6	2%	0.02	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	125.3	171.1	-174	177.5	70.3	0	0	109	I287 S288 S297 F360 F362 G389 F390	I287-M370 CarbonylContact C-O 3.58Å; I287-M370 WeakPolarHBondContact CA-O 3.46Å; S288-M370 PolarHBondContact N-O 3.44Å; S288-M370 PolarHBondContact O-N 3.22Å; S297-M370 WeakPolarHBondContact OG-CE 3.3Å; F360-M370 HydrophobicContact CB-CE 4.29Å; F360-M370 HydrophobicContact CD1-CE 4.04Å; F360-M370 HydrophobicContact CD1-SD 3.85Å; F362-M370 HydrophobicContact CE1-CB 3.75Å; F362-M370 HydrophobicContact CZ-CB 4.02Å; M370-G389 CarbonylContact C-O 3.57Å; M370-G389 WeakPolarHBondContact CA-O 3.29Å; M370-F390 HydrophobicContact CB-CD1 4.19Å; M370-F390 HydrophobicContact CB-CE1 4.04Å; M370-F390 HydrophobicContact CG-CE1 4.49Å; M370-F390 HydrophobicContact SD-CZ 4.39Å
371	Y	97.8	Very high	95.5	Very high	14 Å²	14	51.9 Å²	51.9	6%	0.055	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	145.2	168.8	70.4	-91.7	0	0	0	110	I269 V271 L285 V286 H388 G389 A391 L394	I269-Y371 HydrophobicContact CD1-CD2 4.37Å; V271-Y371 HydrophobicContact CG1-CE1 4.16Å; V271-Y371 HydrophobicContact CG2-CD1 4.27Å; V271-Y371 HydrophobicContact CG2-CE1 3.67Å; L285-Y371 HydrophobicContact CD1-CD2 4.25Å; V286-Y371 CarbonylContact O-C 3.56Å; V286-Y371 WeakPolarHBondContact O-CA 3.34Å; Y371-H388 WeakPolarHBondContact O-CA 3.44Å; Y371-H388 WeakPolarHBondContact O-CB 3.4Å; Y371-G389 WeakPolarHBondContact CD1-O 3.34Å; Y371-G389 VanDerWaalsContact CE1-C 3.47Å; Y371-G389 VanDerWaalsContact CE1-CA 3.47Å; Y371-G389 WeakPolarHBondContact CE1-O 3.27Å; Y371-G389 PolarHBondContact N-O 3.16Å; Y371-G389 PolarHBondContact O-N 2.94Å; Y371-G389 VanDerWaalsContact O-N 3.14Å; Y371-A391 HydrophobicContact CD1-CB 4.38Å; Y371-L394 HydrophobicContact CD1-CD1 4.35Å
372	T	98.1	Very high	95.1	Very high	6 Å²	6	50.2 Å²	50.2	4%	0.037	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	118.6	174.2	-61.8	0	0	0	0	109.5	V286 I300 N301 P387	V286-T372 PolarHBondContact N-O 3.02Å; V286-T372 PolarHBondContact O-N 3.31Å; I300-T372 HydrophobicContact CD1-CG2 3.62Å; I300-T372 HydrophobicContact CG1-CG2 4.18Å; N301-T372 PolarHBondContact ND2-OG1 3.04Å; N301-T372 WeakPolarHBondContact OD1-CG2 3.44Å; T372-P387 CarbonylContact C-O 3.59Å; T372-P387 WeakPolarHBondContact CA-O 3.31Å
373	V	97.6	Very high	94.6	Very high	6 Å²	6	56.7 Å²	56.7	4%	0.036	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	117.4	172.8	-174.4	0	0	0	0	108.2	Q280 L285 P376 V384 P387	Q280-V373 VanDerWaalsContact OE1-CG2 3.25Å; L285-V373 HydrophobicContact CD1-CB 4.28Å; L285-V373 HydrophobicContact CD1-CG2 3.61Å; V373-P376 HydrophobicContact CG1-CB 3.83Å; V373-V384 HydrophobicContact CB-CG1 4.35Å; V373-V384 HydrophobicContact CG1-CG1 4.37Å; V373-V384 HydrophobicContact CG1-CG2 4.4Å; V373-V384 HydrophobicContact CG2-CG1 4.08Å; V373-P387 PolarHBondContact N-O 2.89Å
374	R	96.6	Very high	94.2	Very high	69 Å²	69	55.7 Å²	55.7	26%	0.26	31%	0.31	S	S	.	.	S	Bend	trans	-84	126.5	-179.7	-66.9	-176.6	57.6	-149.9	-7.6	110.7	S282 S283 G284 V286 I300	S282-R374 VanDerWaalsContact CB-O 3.22Å; S282-R374 WeakPolarHBondContact CB-O 3.44Å; S283-R374 PolarHBondContact N-O 2.86Å; G284-R374 WeakPolarHBondContact O-CB 3.37Å; G284-R374 PolarHBondContact O-N 2.91Å; V286-R374 HydrophobicContact CG2-CG 4.18Å; I300-R374 HydrophobicContact CD1-CG 4.23Å
375	D	95.2	Very high	93.7	Very high	111 Å²	111	59 Å²	59	59%	0.594	33%	0.33	S	S	*	.	S	Bend	trans	49.8	57.7	177.7	-43.7	-47.3	0	0	0	112.5	S283 L377	S283-D375 WeakPolarHBondContact CB-OD2 3.14Å; S283-D375 WeakPolarHBondContact OG-CB 3.28Å; S283-D375 PolarHBondContact OG-OD2 2.87Å; D375-L377 PolarHBondContact O-N 2.86Å
376	P	95.7	Very high	93.4	Very high	41 Å²	41	63.6 Å²	63.6	27%	0.266	35%	0.35	S	S	.	.			trans	-59.6	129	-175.1	25.3	-34.9	0	0	0	111.7	V373 N378 V384 P387	V373-P376 HydrophobicContact CG1-CB 3.83Å; P376-N378 PolarHBondContact O-N 3.08Å; P376-V384 HydrophobicContact CB-CB 3.7Å; P376-V384 HydrophobicContact CB-CG1 3.99Å; P376-V384 HydrophobicContact CB-CG2 3.5Å; P376-P387 HydrophobicContact CG-CB 4.27Å
377	L	93.8	Very high	93.2	Very high	71 Å²	71	62.8 Å²	62.8	37%	0.372	35%	0.348	S	S	.	.			trans	-75.3	112	174.8	-167.6	73.4	0	0	0	109.8	K281 D375 F382	K281-L377 HydrophobicContact CB-CB 3.95Å; K281-L377 HydrophobicContact CB-CD2 3.82Å; K281-L377 HydrophobicContact CD-CD2 4.12Å; K281-L377 WeakPolarHBondContact O-CB 3.27Å; K281-L377 PolarHBondContact O-N 2.7Å; D375-L377 PolarHBondContact O-N 2.86Å; L377-F382 HydrophobicContact CD2-CB 4.32Å; L377-F382 HydrophobicContact CD2-CD2 3.77Å; L377-F382 HydrophobicContact CD2-CE2 4.44Å; L377-F382 HydrophobicContact CD2-CG 4.18Å; L377-F382 CarbonylContact O-C 3.59Å; L377-F382 WeakPolarHBondContact O-CB 3.4Å
378	N	92.1	Very high	93.1	Very high	94 Å²	94	64.1 Å²	64.1	50%	0.503	35%	0.349	S	S	.	.			trans	-117.2	108.2	176.4	-71.5	-52.3	0	0	0	110.1	P376 F382 K383 V384	P376-N378 PolarHBondContact O-N 3.08Å; N378-F382 CarbonylContact C-O 3.55Å; N378-F382 WeakPolarHBondContact CA-O 3.28Å; N378-K383 WeakPolarHBondContact OD1-CA 3.37Å; N378-V384 PolarHBondContact OD1-N 2.92Å
379	N	91.6	Very high	93	Very high	85 Å²	85	60.7 Å²	60.7	46%	0.455	34%	0.337	S	S	.	.	S	Bend	trans	-149	-164.5	178	66.2	26.2	0	0	0	110.9	V381 F382	N379-V381 PolarHBondContact O-N 2.68Å; N379-V381 WeakPolarHBondContact OD1-CA 3.29Å; N379-V381 PolarHBondContact OD1-N 3.44Å; N379-F382 PolarHBondContact N-O 2.99Å; N379-F382 VanDerWaalsContact O-O 3.05Å; N379-F382 PolarHBondContact OD1-N 2.7Å
380	G	87.7	Confident	93	Very high	87 Å²	87	65 Å²	65	90%	0.897	36%	0.356	S	S	*	.	S	Bend	trans	-67.9	-11.2	179.8	0	0	0	0	0	115.5
381	V	87.4	Confident	92.8	Very high	121 Å²	121	64.9 Å²	64.9	73%	0.733	36%	0.356	S	S	*	.	S	Bend	trans	-115.3	-41.2	-175.9	-177.7	0	0	0	0	111.7	N379	N379-V381 PolarHBondContact O-N 2.68Å; N379-V381 WeakPolarHBondContact OD1-CA 3.29Å; N379-V381 PolarHBondContact OD1-N 3.44Å
382	F	88.3	Confident	92.6	Very high	34 Å²	34	66.8 Å²	66.8	15%	0.149	37%	0.371	C	S	.	.			trans	-112.4	134.6	-179.7	-62.5	-84.6	0	0	0	110	R279 K281 L377 N378 N379	R279-F382 HydrophobicContact CG-CD1 4.44Å; R279-F382 HydrophobicContact CG-CE1 3.97Å; K281-F382 HydrophobicContact CB-CD1 4.25Å; K281-F382 HydrophobicContact CB-CE1 4.47Å; K281-F382 HydrophobicContact CB-CG 4.44Å; K281-F382 HydrophobicContact CD-CD1 4.28Å; K281-F382 HydrophobicContact CD-CD2 4.2Å; K281-F382 HydrophobicContact CD-CE1 3.78Å; K281-F382 HydrophobicContact CD-CE2 3.7Å; K281-F382 HydrophobicContact CD-CG 4.48Å; K281-F382 HydrophobicContact CD-CZ 3.47Å; K281-F382 VanDerWaalsContact CD-CZ 3.47Å; K281-F382 VanDerWaalsContact CE-CZ 3.44Å; K281-F382 HydrophobicContact CG-CD1 4Å; K281-F382 HydrophobicContact CG-CE1 3.73Å; K281-F382 HydrophobicContact CG-CE2 4.46Å; K281-F382 HydrophobicContact CG-CG 4.48Å; K281-F382 HydrophobicContact CG-CZ 3.99Å; L377-F382 HydrophobicContact CD2-CB 4.32Å; L377-F382 HydrophobicContact CD2-CD2 3.77Å; L377-F382 HydrophobicContact CD2-CE2 4.44Å; L377-F382 HydrophobicContact CD2-CG 4.18Å; L377-F382 CarbonylContact O-C 3.59Å; L377-F382 WeakPolarHBondContact O-CB 3.4Å; N378-F382 CarbonylContact C-O 3.55Å; N378-F382 WeakPolarHBondContact CA-O 3.28Å; N379-F382 PolarHBondContact N-O 2.99Å; N379-F382 VanDerWaalsContact O-O 3.05Å; N379-F382 PolarHBondContact OD1-N 2.7Å
383	K	88.6	Confident	92.5	Very high	158 Å²	158	69.3 Å²	69.3	69%	0.687	38%	0.383	S	S	*	.			trans	-142	121.6	174.8	-174.8	177.9	-179.6	-177.9	0	108.8	N378	N378-K383 WeakPolarHBondContact OD1-CA 3.37Å
384	V	88.1	Confident	92.4	Very high	10 Å²	10	69 Å²	69	6%	0.061	38%	0.381	C	S	.	.			trans	-92	108.3	173	176.7	0	0	0	0	107.7	Q280 V373 P376 N378 P387	Q280-V384 HydrophobicContact CB-CG2 4.48Å; Q280-V384 HydrophobicContact CG-CG2 4.13Å; V373-V384 HydrophobicContact CB-CG1 4.35Å; V373-V384 HydrophobicContact CG1-CG1 4.37Å; V373-V384 HydrophobicContact CG1-CG2 4.4Å; V373-V384 HydrophobicContact CG2-CG1 4.08Å; P376-V384 HydrophobicContact CB-CB 3.7Å; P376-V384 HydrophobicContact CB-CG1 3.99Å; P376-V384 HydrophobicContact CB-CG2 3.5Å; N378-V384 PolarHBondContact OD1-N 2.92Å; V384-P387 HydrophobicContact CG1-CB 4.36Å
385	T	86.7	Confident	92.4	Very high	88 Å²	88	65.8 Å²	65.8	54%	0.54	37%	0.369	S	S	.	.	S	Bend	trans	-68.8	-41.6	-176	-50.9	0	0	0	0	111.6	E278	E278-T385 WeakPolarHBondContact OE1-CB 3.37Å; E278-T385 PolarHBondContact OE1-OG1 3.03Å
386	K	89.7	Confident	92.5	Very high	131 Å²	131	60.5 Å²	60.5	57%	0.57	34%	0.341	S	S	*	.			trans	-129.8	105.8	177.8	-67.7	-176.9	-178.7	175.7	0	109.3	H388	K386-H388 PolarHBondContact O-N 2.79Å
387	P	93.1	Very high	92.5	Very high	51 Å²	51	60 Å²	60	33%	0.331	33%	0.333	S	S	.	.	S	Bend	trans	-70.7	-16.8	178.9	29.4	-35	0	0	0	112.7	T372 V373 P376 V384	T372-P387 CarbonylContact C-O 3.59Å; T372-P387 WeakPolarHBondContact CA-O 3.31Å; V373-P387 PolarHBondContact N-O 2.89Å; P376-P387 HydrophobicContact CG-CB 4.27Å; V384-P387 HydrophobicContact CG1-CB 4.36Å
388	H	94.9	Very high	92.7	Very high	77 Å²	77	56.7 Å²	56.7	36%	0.356	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	157.8	172.1	48.9	-102.5	0	0	0	110.2	Y371 K386	Y371-H388 WeakPolarHBondContact O-CA 3.44Å; Y371-H388 WeakPolarHBondContact O-CB 3.4Å; K386-H388 PolarHBondContact O-N 2.79Å
389	G	95	Very high	92.9	Very high	15 Å²	15	54.7 Å²	54.7	16%	0.155	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-177.1	167	176.7	0	0	0	0	0	112.1	M370 Y371	M370-G389 CarbonylContact C-O 3.57Å; M370-G389 WeakPolarHBondContact CA-O 3.29Å; Y371-G389 WeakPolarHBondContact CD1-O 3.34Å; Y371-G389 VanDerWaalsContact CE1-C 3.47Å; Y371-G389 VanDerWaalsContact CE1-CA 3.47Å; Y371-G389 WeakPolarHBondContact CE1-O 3.27Å; Y371-G389 PolarHBondContact N-O 3.16Å; Y371-G389 PolarHBondContact O-N 2.94Å; Y371-G389 VanDerWaalsContact O-N 3.14Å
390	F	96.3	Very high	93.2	Very high	92 Å²	92	51.1 Å²	51.1	40%	0.404	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	150.5	171.5	-70.7	-83.1	0	0	0	110.7	F362 Q368 M369 M370	F362-F390 HydrophobicContact CB-CE1 4.32Å; F362-F390 HydrophobicContact CB-CZ 4.41Å; F362-F390 AromaticContact CD1-CE1 3.71Å; F362-F390 HydrophobicContact CD1-CE1 3.71Å; F362-F390 HydrophobicContact CD1-CZ 4.07Å; F362-F390 HydrophobicContact CD2-CE1 4.01Å; F362-F390 AromaticContact CE1-CE1 3.88Å; F362-F390 HydrophobicContact CE1-CE1 3.88Å; F362-F390 HydrophobicContact CE2-CE1 4.13Å; F362-F390 AromaticContact CG-CE1 3.77Å; F362-F390 HydrophobicContact CG-CE1 3.77Å; F362-F390 HydrophobicContact CG-CZ 4.24Å; F362-F390 HydrophobicContact CZ-CE1 4.07Å; Q368-F390 HydrophobicContact CB-CD1 4.43Å; M369-F390 CarbonylContact O-C 3.53Å; M369-F390 WeakPolarHBondContact O-CA 3.36Å; M370-F390 HydrophobicContact CB-CD1 4.19Å; M370-F390 HydrophobicContact CB-CE1 4.04Å; M370-F390 HydrophobicContact CG-CE1 4.49Å; M370-F390 HydrophobicContact SD-CZ 4.39Å
391	A	95.5	Very high	93.5	Very high	1 Å²	1	53.6 Å²	53.6	1%	0.008	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	144.4	178.5	0	0	0	0	0	109.8	V271 M369 Y371	V271-A391 HydrophobicContact CG1-CB 3.75Å; M369-A391 HydrophobicContact CE-CB 4.01Å; M369-A391 HydrophobicContact CG-CB 4.21Å; M369-A391 VanDerWaalsContact CG-O 3.25Å; M369-A391 WeakPolarHBondContact CG-O 3.23Å; M369-A391 PolarHBondContact N-O 2.77Å; M369-A391 PolarHBondContact O-N 2.88Å; Y371-A391 HydrophobicContact CD1-CB 4.38Å
392	S	93.2	Very high	93.8	Very high	55 Å²	55	51.3 Å²	51.3	39%	0.385	26%	0.262	S	S	.	.	S	Bend	trans	-90.5	-36.2	165	-50.9	0	0	0	0	110.5	D272	D272-S392 WeakPolarHBondContact OD1-CA 3.24Å; D272-S392 WeakPolarHBondContact OD1-CB 3.33Å; D272-S392 PolarHBondContact OD1-N 3.42Å
393	E	95	Very high	94.3	Very high	59 Å²	59	49.9 Å²	49.9	28%	0.276	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	144.1	170.9	-54.3	-160.2	145.5	0	0	110.9	D272 S273 M369 Y395 K422 F423 T424	D272-E393 WeakPolarHBondContact CA-O 3.37Å; D272-E393 PolarHBondContact N-O 2.82Å; D272-E393 PolarHBondContact OD1-N 3.3Å; S273-E393 PolarHBondContact OG-OE2 2.75Å; M369-E393 VanDerWaalsContact CE-C 3.44Å; E393-Y395 HydrophobicContact CB-CE2 4.19Å; E393-Y395 PolarHBondContact OE2-OH 3.4Å; E393-K422 WeakPolarHBondContact OE1-CE 3.24Å; E393-K422 IonicContact OE1-NZ 2.62Å; E393-K422 PolarHBondContact OE1-NZ 3.15Å; E393-K422 IonicContact OE2-NZ 3Å; E393-K422 PolarHBondContact OE2-NZ 3.26Å; E393-F423 WeakPolarHBondContact CA-O 3.47Å; E393-T424 HydrophobicContact CG-CG2 4.09Å
394	L	96.5	Very high	94.7	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	137	178	-174	77.2	0	0	0	109.1	I269 V271 L285 I287 M369 Y371 I396 K422 F423	I269-L394 HydrophobicContact CD1-CD1 3.97Å; I269-L394 HydrophobicContact CG1-CD1 3.86Å; V271-L394 HydrophobicContact CB-CD1 4.39Å; V271-L394 HydrophobicContact CG2-CD1 3.67Å; L285-L394 HydrophobicContact CD2-CD2 3.83Å; I287-L394 HydrophobicContact CD1-CD2 4.47Å; I287-L394 HydrophobicContact CG1-CD2 3.57Å; I287-L394 HydrophobicContact CG2-CD2 4.4Å; M369-L394 HydrophobicContact CE-CB 3.43Å; M369-L394 VanDerWaalsContact CE-CB 3.43Å; M369-L394 VanDerWaalsContact CE-N 3.26Å; M369-L394 HydrophobicContact SD-CB 4.35Å; Y371-L394 HydrophobicContact CD1-CD1 4.35Å; L394-I396 HydrophobicContact CD2-CD1 4.19Å; L394-I396 HydrophobicContact CD2-CG1 4.28Å; L394-I396 HydrophobicContact CG-CG1 4.43Å; L394-K422 CarbonylContact O-C 3.44Å; L394-K422 WeakPolarHBondContact O-CA 3.41Å; L394-F423 HydrophobicContact CB-CB 4.16Å; L394-F423 HydrophobicContact CB-CD2 4.28Å; L394-F423 HydrophobicContact CD2-CD2 4.23Å; L394-F423 HydrophobicContact CG-CD2 4.45Å; L394-F423 PolarHBondContact N-O 2.55Å; L394-F423 WeakPolarHBondContact O-CD2 3.37Å; L394-F423 PolarHBondContact O-N 2.62Å
395	Y	96.4	Very high	95.1	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	130.5	177.2	-66.1	-98.7	0	0	0	109.4	S227 L231 I269 S270 S273 E393 A421 K422	S227-Y395 WeakPolarHBondContact CB-OH 3.43Å; L231-Y395 HydrophobicContact CD1-CD1 3.67Å; L231-Y395 HydrophobicContact CD1-CD2 3.6Å; L231-Y395 HydrophobicContact CD1-CE1 3.9Å; L231-Y395 HydrophobicContact CD1-CE2 3.88Å; L231-Y395 HydrophobicContact CD1-CG 3.49Å; L231-Y395 VanDerWaalsContact CD1-CG 3.49Å; I269-Y395 WeakPolarHBondContact CA-O 3.39Å; S270-Y395 PolarHBondContact N-O 3.31Å; S270-Y395 PolarHBondContact O-N 3.41Å; S273-Y395 VanDerWaalsContact OG-CE2 3.3Å; S273-Y395 WeakPolarHBondContact OG-CE2 3.28Å; E393-Y395 HydrophobicContact CB-CE2 4.19Å; E393-Y395 PolarHBondContact OE2-OH 3.4Å; Y395-A421 WeakPolarHBondContact CA-O 3.38Å; Y395-K422 HydrophobicContact CD1-CB 3.98Å; Y395-K422 HydrophobicContact CD1-CG 4.31Å; Y395-K422 HydrophobicContact CE1-CB 3.83Å; Y395-K422 HydrophobicContact CE1-CD 3.72Å; Y395-K422 HydrophobicContact CE1-CG 3.82Å; Y395-K422 WeakPolarHBondContact OH-CD 3.29Å; Y395-K422 PolarHBondContact OH-NZ 3.03Å
396	I	96.5	Very high	95.6	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.005	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	128.2	175	-54.3	175.2	0	0	0	107.7	A256 Y267 D268 L285 I287 L394 F415 I420 A421 F423	A256-I396 HydrophobicContact CB-CD1 3.85Å; Y267-I396 HydrophobicContact CD2-CG2 4.07Å; Y267-I396 HydrophobicContact CG-CG2 4.15Å; D268-I396 CarbonylContact O-C 3.51Å; D268-I396 VanDerWaalsContact O-CA 3.28Å; D268-I396 WeakPolarHBondContact O-CA 3.48Å; L285-I396 HydrophobicContact CD2-CD1 3.4Å; L285-I396 HydrophobicContact CD2-CG1 4.16Å; I287-I396 HydrophobicContact CD1-CD1 4.17Å; L394-I396 HydrophobicContact CD2-CD1 4.19Å; L394-I396 HydrophobicContact CD2-CG1 4.28Å; L394-I396 HydrophobicContact CG-CG1 4.43Å; I396-F415 HydrophobicContact CB-CE1 4.37Å; I396-F415 HydrophobicContact CB-CZ 4.23Å; I396-F415 HydrophobicContact CG2-CE1 3.84Å; I396-F415 HydrophobicContact CG2-CZ 4.05Å; I396-F415 WeakPolarHBondContact O-CZ 3.35Å; I396-I420 CarbonylContact O-C 3.51Å; I396-I420 VanDerWaalsContact O-CA 3.29Å; I396-I420 WeakPolarHBondContact O-CA 3.39Å; I396-A421 PolarHBondContact N-O 2.94Å; I396-A421 PolarHBondContact O-N 3.35Å; I396-F423 HydrophobicContact CB-CE2 4.13Å; I396-F423 HydrophobicContact CD1-CD2 4.25Å; I396-F423 HydrophobicContact CD1-CE2 3.36Å; I396-F423 HydrophobicContact CD1-CZ 3.67Å; I396-F423 HydrophobicContact CG1-CD2 4.36Å; I396-F423 HydrophobicContact CG1-CE2 3.67Å; I396-F423 HydrophobicContact CG1-CZ 4.44Å
397	R	96.3	Very high	96	Very high	31 Å²	31	33.3 Å²	33.3	12%	0.117	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	119.5	164.8	174.8	173.4	62.7	-174.5	1.4	108.9	F232 S234 S235 Y267 D268 S419 I420	F232-R397 HydrophobicContact CD1-CB 3.88Å; F232-R397 HydrophobicContact CD2-CB 4.17Å; F232-R397 HydrophobicContact CE1-CB 3.75Å; F232-R397 HydrophobicContact CE2-CB 4.04Å; F232-R397 HydrophobicContact CG-CB 4.08Å; F232-R397 HydrophobicContact CZ-CB 3.82Å; S234-R397 PolarHBondContact OG-NH1 3.45Å; S235-R397 WeakPolarHBondContact OG-CD 3.47Å; S235-R397 PolarHBondContact OG-NH1 3.05Å; Y267-R397 CarbonylContact C-O 3.45Å; Y267-R397 VanDerWaalsContact CA-O 3.24Å; Y267-R397 WeakPolarHBondContact CA-O 3.46Å; Y267-R397 VanDerWaalsContact CB-O 3.23Å; Y267-R397 WeakPolarHBondContact CB-O 3.33Å; D268-R397 HydrophobicContact CB-CB 4.23Å; D268-R397 PolarHBondContact N-O 2.87Å; D268-R397 PolarHBondContact O-N 2.86Å; D268-R397 IonicContact OD2-CZ 3.77Å; D268-R397 IonicContact OD2-NE 3.52Å; D268-R397 PolarHBondContact OD2-NE 3.45Å; D268-R397 IonicContact OD2-NH2 2.55Å; D268-R397 PolarHBondContact OD2-NH2 3.23Å; R397-S419 WeakPolarHBondContact CA-O 3.48Å; R397-I420 HydrophobicContact CB-CG1 4.26Å; R397-I420 HydrophobicContact CG-CG1 4.31Å
398	S	97.6	Very high	96.1	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	137.5	174	-175.6	0	0	0	0	110.3	M400 F415 K416 S417 G418 S419	S398-M400 WeakPolarHBondContact OG-CE 3.3Å; S398-M400 PolarHBondContact OG-N 3.22Å; S398-M400 PolarHBondContact OG-O 3.22Å; S398-F415 VanDerWaalsContact CB-O 3.24Å; S398-F415 WeakPolarHBondContact CB-O 3.49Å; S398-F415 PolarHBondContact OG-O 2.78Å; S398-K416 WeakPolarHBondContact CB-O 2.81Å; S398-S417 CarbonylContact O-C 3.57Å; S398-S417 WeakPolarHBondContact O-CA 3.45Å; S398-G418 PolarHBondContact O-N 2.85Å; S398-S419 PolarHBondContact N-O 2.85Å
399	L	96.9	Very high	95.8	Very high	53 Å²	53	32.1 Å²	32.1	28%	0.277	18%	0.179	S	C	.	.			trans	-123.8	26.9	169.4	-68.7	172.3	0	0	0	110	D266 D268	D266-L399 PolarHBondContact O-N 3.39Å; D266-L399 WeakPolarHBondContact OD1-CB 3.47Å; D268-L399 VanDerWaalsContact OD2-CD1 3.28Å; D268-L399 WeakPolarHBondContact OD2-CD1 3.44Å
400	M	97.2	Very high	95.7	Very high	10 Å²	10	32.8 Å²	32.8	5%	0.049	19%	0.185	C	C	.	.			trans	-116.4	129.4	-179.7	-59	162.6	-68.1	0	0	110.4	A258 S265 D266 S398 D402 G403 K416 S417	A258-M400 HydrophobicContact CB-SD 4.08Å; A258-M400 PolarHBondContact N-SD 3.22Å; A258-M400 VanDerWaalsContact N-SD 3.35Å; S265-M400 WeakPolarHBondContact CA-SD 3.33Å; D266-M400 HydrophobicContact CB-CG 4.2Å; D266-M400 PolarHBondContact N-SD 3.32Å; D266-M400 VanDerWaalsContact N-SD 3.4Å; D266-M400 WeakPolarHBondContact O-CG 3.35Å; S398-M400 WeakPolarHBondContact OG-CE 3.3Å; S398-M400 PolarHBondContact OG-N 3.22Å; S398-M400 PolarHBondContact OG-O 3.22Å; M400-D402 VanDerWaalsContact C-N 3.32Å; M400-D402 PolarHBondContact O-N 2.77Å; M400-G403 PolarHBondContact O-N 3.08Å; M400-K416 CarbonylContact O-C 3.44Å; M400-K416 WeakPolarHBondContact O-CA 3.34Å; M400-S417 PolarHBondContact O-N 2.89Å
401	D	94.4	Very high	95.5	Very high	138 Å²	138	29 Å²	29	74%	0.738	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70	-31.5	176.5	-65.2	-27.8	0	0	0	112.5	S417	D401-S417 WeakPolarHBondContact OD1-CB 3.26Å
402	D	94.6	Very high	95.5	Very high	73 Å²	73	29.8 Å²	29.8	39%	0.39	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.5	20.3	178.4	73.7	-32.8	0	0	0	113	A259 M400	A259-D402 HydrophobicContact CB-CB 4.39Å; A259-D402 VanDerWaalsContact CB-O 3.3Å; A259-D402 WeakPolarHBondContact CB-O 3.32Å; A259-D402 PolarHBondContact N-O 2.96Å; M400-D402 VanDerWaalsContact C-N 3.32Å; M400-D402 PolarHBondContact O-N 2.77Å
403	G	97.1	Very high	95.6	Very high	4 Å²	4	27.2 Å²	27.2	4%	0.041	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63	148.2	178.2	0	0	0	0	0	112.2	G257 M400 F415	G257-G403 WeakPolarHBondContact O-CA 3.35Å; M400-G403 PolarHBondContact O-N 3.08Å; G403-F415 CarbonylContact C-O 3.47Å; G403-F415 VanDerWaalsContact CA-O 3.31Å; G403-F415 WeakPolarHBondContact CA-O 3.08Å; G403-F415 CarbonylContact O-C 3.46Å; G403-F415 WeakPolarHBondContact O-CA 3.31Å; G403-F415 PolarHBondContact O-N 2.65Å
404	H	96.7	Very high	95.6	Very high	26 Å²	26	26.3 Å²	26.3	12%	0.12	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	159	173.9	71.4	-68.1	0	0	0	111.8	F255 G257 A258 A259 F413	F255-H404 AromaticContact CD1-NE2 3.79Å; F255-H404 AromaticContact CE1-CE1 3.64Å; F255-H404 AromaticContact CE1-NE2 3.84Å; G257-H404 PolarHBondContact N-O 3Å; G257-H404 VanDerWaalsContact N-O 3.16Å; G257-H404 PolarHBondContact O-N 3.32Å; G257-H404 PolarHBondContact O-ND1 2.62Å; A258-H404 PolarHBondContact O-CE1 3.18Å; A258-H404 PolarHBondContact O-ND1 3.39Å; A259-H404 VanDerWaalsContact CA-CE1 3.45Å; A259-H404 WeakPolarHBondContact CA-CE1 3.46Å; A259-H404 VanDerWaalsContact CA-ND1 3.29Å; A259-H404 WeakPolarHBondContact CA-ND1 3.43Å; A259-H404 PolarHBondContact N-ND1 3.04Å; H404-F413 CarbonylContact C-O 3.59Å; H404-F413 VanDerWaalsContact CA-O 3.24Å; H404-F413 WeakPolarHBondContact CA-O 3.12Å; H404-F413 WeakPolarHBondContact CB-O 3.38Å
405	L	98	Very high	95.6	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	131.6	164.3	-58.2	-178	0	0	0	108.7	V189 I191 L246 V254 F255 A256 F407 T412 F413 F415 A421 F423	V189-L405 HydrophobicContact CG1-CD1 3.81Å; I191-L405 HydrophobicContact CD1-CD1 3.84Å; I191-L405 HydrophobicContact CG1-CD1 4.26Å; L246-L405 HydrophobicContact CD1-CD1 4.37Å; V254-L405 HydrophobicContact CG1-CB 4.2Å; F255-L405 CarbonylContact O-C 3.59Å; F255-L405 WeakPolarHBondContact O-CA 3.3Å; A256-L405 HydrophobicContact CB-CD2 3.46Å; A256-L405 VanDerWaalsContact CB-CD2 3.46Å; L405-F407 HydrophobicContact CB-CD2 4.47Å; L405-F407 HydrophobicContact CB-CE2 3.71Å; L405-F407 HydrophobicContact CD1-CE2 4.46Å; L405-T412 CarbonylContact O-C 3.48Å; L405-T412 WeakPolarHBondContact O-CA 3.17Å; L405-F413 PolarHBondContact N-O 3.37Å; L405-F413 PolarHBondContact O-N 3.49Å; L405-F415 HydrophobicContact CD2-CB 4.35Å; L405-F415 HydrophobicContact CD2-CD1 3.66Å; L405-F415 HydrophobicContact CD2-CE1 4.12Å; L405-F415 HydrophobicContact CD2-CG 4.01Å; L405-F415 HydrophobicContact CG-CB 3.96Å; L405-F415 HydrophobicContact CG-CD1 4.17Å; L405-F415 HydrophobicContact CG-CG 4Å; L405-A421 HydrophobicContact CD1-CB 4.06Å; L405-F423 HydrophobicContact CD1-CZ 4.43Å; L405-F423 HydrophobicContact CD2-CZ 3.99Å
406	A	96.8	Very high	95.5	Very high	9 Å²	9	30.4 Å²	30.4	7%	0.074	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	128.8	175.7	0	0	0	0	0	110.9	V254 F255 V411 T412	V254-A406 CarbonylContact C-O 3.56Å; V254-A406 VanDerWaalsContact CA-O 3.27Å; V254-A406 WeakPolarHBondContact CA-O 3.41Å; F255-A406 HydrophobicContact CB-CB 4.31Å; F255-A406 PolarHBondContact N-O 3.11Å; F255-A406 PolarHBondContact O-N 3.44Å; A406-V411 CarbonylContact C-O 3.59Å; A406-V411 WeakPolarHBondContact CA-O 3.49Å; A406-T412 HydrophobicContact CB-CG2 3.89Å
407	F	97.2	Very high	95.5	Very high	5 Å²	5	32.9 Å²	32.9	2%	0.022	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	122.6	-173.6	-70.1	-110.6	0	0	0	110.1	V189 L246 V248 A250 V254 L405 S409 G410 V411 F413	V189-F407 HydrophobicContact CB-CE1 4.18Å; V189-F407 HydrophobicContact CB-CZ 3.82Å; V189-F407 HydrophobicContact CG1-CZ 4.38Å; V189-F407 HydrophobicContact CG2-CE1 3.68Å; V189-F407 HydrophobicContact CG2-CZ 3.57Å; L246-F407 HydrophobicContact CD1-CE2 3.83Å; L246-F407 HydrophobicContact CD1-CZ 3.59Å; V248-F407 HydrophobicContact CG2-CB 4.5Å; V248-F407 HydrophobicContact CG2-CD1 3.86Å; V248-F407 HydrophobicContact CG2-CD2 4.4Å; V248-F407 HydrophobicContact CG2-CE1 4.22Å; V248-F407 HydrophobicContact CG2-CG 4.01Å; A250-F407 HydrophobicContact CB-CD1 3.75Å; A250-F407 HydrophobicContact CB-CE1 4.45Å; V254-F407 HydrophobicContact CG1-CD2 4.22Å; V254-F407 HydrophobicContact CG1-CE1 4.23Å; V254-F407 HydrophobicContact CG1-CE2 3.91Å; V254-F407 HydrophobicContact CG1-CG 4.48Å; V254-F407 HydrophobicContact CG1-CZ 3.87Å; V254-F407 HydrophobicContact CG2-CD1 3.74Å; V254-F407 HydrophobicContact CG2-CE1 3.57Å; V254-F407 HydrophobicContact CG2-CG 4.33Å; V254-F407 HydrophobicContact CG2-CZ 4.06Å; L405-F407 HydrophobicContact CB-CD2 4.47Å; L405-F407 HydrophobicContact CB-CE2 3.71Å; L405-F407 HydrophobicContact CD1-CE2 4.46Å; F407-S409 PolarHBondContact O-N 3.44Å; F407-G410 PolarHBondContact O-N 2.87Å; F407-V411 HydrophobicContact CB-CG2 4.04Å; F407-V411 PolarHBondContact N-O 2.96Å; F407-V411 PolarHBondContact O-N 3.06Å; F407-F413 HydrophobicContact CD2-CD2 4.02Å; F407-F413 HydrophobicContact CD2-CE2 4.24Å; F407-F413 AromaticContact CE2-CD2 3.8Å; F407-F413 HydrophobicContact CE2-CD2 3.8Å; F407-F413 HydrophobicContact CE2-CE2 4.22Å
408	D	95.9	Very high	95.4	Very high	19 Å²	19	32.3 Å²	32.3	10%	0.102	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.7	29.8	172.1	-65.6	-20	0	0	0	115.3	L130 A250 L251 N252 E253 G410	L130-D408 HydrophobicContact CD1-CB 4.34Å; L130-D408 HydrophobicContact CD2-CB 4.11Å; A250-D408 WeakPolarHBondContact CA-OD2 3.28Å; L251-D408 PolarHBondContact N-OD1 2.78Å; L251-D408 PolarHBondContact N-OD2 2.93Å; N252-D408 WeakPolarHBondContact CA-OD1 3.37Å; N252-D408 WeakPolarHBondContact CB-OD1 3.13Å; N252-D408 PolarHBondContact N-OD1 2.84Å; E253-D408 PolarHBondContact N-OD1 2.86Å; E253-D408 PolarHBondContact O-N 3Å; D408-G410 PolarHBondContact O-N 2.91Å; D408-G410 VanDerWaalsContact O-N 3.08Å
409	S	88.8	Confident	95.3	Very high	84 Å²	84	32.5 Å²	32.5	59%	0.587	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.4	18.5	-170.6	-54.7	0	0	0	0	115.1	F407	F407-S409 PolarHBondContact O-N 3.44Å
410	G	91.9	Very high	95.3	Very high	28 Å²	28	30 Å²	30	29%	0.289	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100	-62.2	-177.6	0	0	0	0	0	112.8	L204 F407 D408	L204-G410 PolarHBondContact N-O 2.9Å; F407-G410 PolarHBondContact O-N 2.87Å; D408-G410 PolarHBondContact O-N 2.91Å; D408-G410 VanDerWaalsContact O-N 3.08Å
411	V	93.5	Very high	95.3	Very high	12 Å²	12	29.5 Å²	29.5	7%	0.073	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	158.4	-173.7	-64.4	0	0	0	0	112.7	M201 Q202 I210 V248 A406 F407 F413	M201-V411 HydrophobicContact CG-CB 3.83Å; M201-V411 HydrophobicContact CG-CG1 3.9Å; M201-V411 HydrophobicContact CG-CG2 4.24Å; M201-V411 HydrophobicContact SD-CB 4.24Å; M201-V411 HydrophobicContact SD-CG1 3.97Å; M201-V411 HydrophobicContact SD-CG2 4.19Å; Q202-V411 CarbonylContact O-C 3.58Å; Q202-V411 WeakPolarHBondContact O-CA 2.98Å; Q202-V411 WeakPolarHBondContact O-CB 3.46Å; I210-V411 HydrophobicContact CD1-CG1 3.36Å; V248-V411 HydrophobicContact CG1-CG2 4.34Å; V248-V411 HydrophobicContact CG2-CG2 4.03Å; A406-V411 CarbonylContact C-O 3.59Å; A406-V411 WeakPolarHBondContact CA-O 3.49Å; F407-V411 HydrophobicContact CB-CG2 4.04Å; F407-V411 PolarHBondContact N-O 2.96Å; F407-V411 PolarHBondContact O-N 3.06Å; V411-F413 HydrophobicContact CG2-CE2 4.06Å
412	T	95.1	Very high	95.4	Very high	18 Å²	18	24.3 Å²	24.3	11%	0.11	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	154.5	173.1	62	0	0	0	0	112.3	M201 Q202 L204 L405 A406	M201-T412 WeakPolarHBondContact CA-O 3.43Å; Q202-T412 PolarHBondContact N-O 3.28Å; Q202-T412 PolarHBondContact O-N 2.88Å; L204-T412 HydrophobicContact CB-CG2 4Å; L204-T412 HydrophobicContact CD1-CG2 3.44Å; L204-T412 VanDerWaalsContact CD1-CG2 3.44Å; L204-T412 HydrophobicContact CG-CG2 4.29Å; L405-T412 CarbonylContact O-C 3.48Å; L405-T412 WeakPolarHBondContact O-CA 3.17Å; A406-T412 HydrophobicContact CB-CG2 3.89Å
413	F	95.1	Very high	95.5	Very high	2 Å²	2	20.8 Å²	20.8	1%	0.009	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	141.6	169	-66.3	-94.7	0	0	0	109.5	M201 L246 P247 V248 H404 L405 F407 V411	M201-F413 HydrophobicContact CB-CD1 4.32Å; M201-F413 HydrophobicContact CB-CE1 3.58Å; M201-F413 HydrophobicContact CB-CE2 4.49Å; M201-F413 HydrophobicContact CB-CZ 3.68Å; M201-F413 HydrophobicContact CG-CE1 4.04Å; M201-F413 HydrophobicContact CG-CE2 4.08Å; M201-F413 HydrophobicContact CG-CZ 3.59Å; M201-F413 HydrophobicContact SD-CE2 4.39Å; M201-F413 HydrophobicContact SD-CZ 3.78Å; L246-F413 HydrophobicContact CB-CZ 4.36Å; L246-F413 HydrophobicContact CD1-CB 4.45Å; L246-F413 HydrophobicContact CD1-CD1 4.43Å; L246-F413 HydrophobicContact CD1-CD2 3.83Å; L246-F413 HydrophobicContact CD1-CE2 4.15Å; L246-F413 HydrophobicContact CD1-CG 3.98Å; L246-F413 HydrophobicContact CD2-CD1 3.79Å; L246-F413 HydrophobicContact CD2-CE1 3.94Å; L246-F413 HydrophobicContact CD2-CG 4.14Å; L246-F413 HydrophobicContact CD2-CZ 4.44Å; P247-F413 HydrophobicContact CG-CZ 4.24Å; V248-F413 HydrophobicContact CG2-CE2 3.61Å; V248-F413 HydrophobicContact CG2-CZ 4.04Å; H404-F413 CarbonylContact C-O 3.59Å; H404-F413 VanDerWaalsContact CA-O 3.24Å; H404-F413 WeakPolarHBondContact CA-O 3.12Å; H404-F413 WeakPolarHBondContact CB-O 3.38Å; L405-F413 PolarHBondContact N-O 3.37Å; L405-F413 PolarHBondContact O-N 3.49Å; F407-F413 HydrophobicContact CD2-CD2 4.02Å; F407-F413 HydrophobicContact CD2-CE2 4.24Å; F407-F413 AromaticContact CE2-CD2 3.8Å; F407-F413 HydrophobicContact CE2-CD2 3.8Å; F407-F413 HydrophobicContact CE2-CE2 4.22Å; V411-F413 HydrophobicContact CG2-CE2 4.06Å
414	P	95.2	Very high	95.5	Very high	39 Å²	39	21.1 Å²	21.1	25%	0.253	13%	0.133	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	139.3	171	27.6	-33.8	0	0	0	110.3	L199 I200	L199-P414 HydrophobicContact CD2-CG 4.12Å; L199-P414 WeakPolarHBondContact CD2-O 3.37Å; I200-P414 WeakPolarHBondContact O-CD 3.24Å
415	F	96.6	Very high	95.6	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	13%	0.13	C	C	.	.			trans	-136.9	67.8	-179.1	-174.5	-135.4	0	0	0	109.5	I191 I396 S398 G403 L405 S419 A421	I191-F415 HydrophobicContact CG2-CD2 4.48Å; I396-F415 HydrophobicContact CB-CE1 4.37Å; I396-F415 HydrophobicContact CB-CZ 4.23Å; I396-F415 HydrophobicContact CG2-CE1 3.84Å; I396-F415 HydrophobicContact CG2-CZ 4.05Å; I396-F415 WeakPolarHBondContact O-CZ 3.35Å; S398-F415 VanDerWaalsContact CB-O 3.24Å; S398-F415 WeakPolarHBondContact CB-O 3.49Å; S398-F415 PolarHBondContact OG-O 2.78Å; G403-F415 CarbonylContact C-O 3.47Å; G403-F415 VanDerWaalsContact CA-O 3.31Å; G403-F415 WeakPolarHBondContact CA-O 3.08Å; G403-F415 CarbonylContact O-C 3.46Å; G403-F415 WeakPolarHBondContact O-CA 3.31Å; G403-F415 PolarHBondContact O-N 2.65Å; L405-F415 HydrophobicContact CD2-CB 4.35Å; L405-F415 HydrophobicContact CD2-CD1 3.66Å; L405-F415 HydrophobicContact CD2-CE1 4.12Å; L405-F415 HydrophobicContact CD2-CG 4.01Å; L405-F415 HydrophobicContact CG-CB 3.96Å; L405-F415 HydrophobicContact CG-CD1 4.17Å; L405-F415 HydrophobicContact CG-CG 4Å; F415-S419 WeakPolarHBondContact CE2-O 3.42Å; F415-A421 HydrophobicContact CD2-CB 4.33Å; F415-A421 HydrophobicContact CE1-CB 4.41Å; F415-A421 HydrophobicContact CE2-CB 3.59Å; F415-A421 HydrophobicContact CZ-CB 3.63Å
416	K	94.8	Very high	95.4	Very high	86 Å²	86	22.9 Å²	22.9	37%	0.374	14%	0.144	S	C	.	.			trans	-71.3	161.7	-172.3	-59.4	-176.2	-175.6	173.5	0	112.6	D197 S398 M400 G418 S419	D197-K416 IonicContact OD1-NZ 2.75Å; D197-K416 PolarHBondContact OD1-NZ 3.23Å; S398-K416 WeakPolarHBondContact CB-O 2.81Å; M400-K416 CarbonylContact O-C 3.44Å; M400-K416 WeakPolarHBondContact O-CA 3.34Å; K416-G418 PolarHBondContact O-N 2.96Å; K416-S419 WeakPolarHBondContact O-CB 3.22Å; K416-S419 PolarHBondContact O-N 2.97Å; K416-S419 PolarHBondContact O-OG 2.82Å
417	S	95.5	Very high	95.3	Very high	53 Å²	53	26.6 Å²	26.6	37%	0.371	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.7	133.4	176.7	-168.6	0	0	0	0	112.1	S398 M400 D401 S419	S398-S417 CarbonylContact O-C 3.57Å; S398-S417 WeakPolarHBondContact O-CA 3.45Å; M400-S417 PolarHBondContact O-N 2.89Å; D401-S417 WeakPolarHBondContact OD1-CB 3.26Å; S417-S419 VanDerWaalsContact C-N 3.26Å; S417-S419 PolarHBondContact O-N 3.38Å
418	G	94.4	Very high	95.2	Very high	20 Å²	20	29.7 Å²	29.7	21%	0.206	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.1	-13.9	-175.9	0	0	0	0	0	115.1	S398 K416	S398-G418 PolarHBondContact O-N 2.85Å; K416-G418 PolarHBondContact O-N 2.96Å
419	S	95.7	Very high	95.2	Very high	4 Å²	4	29 Å²	29	3%	0.028	19%	0.186	C	C	.	.			trans	-71.6	144.6	173.7	-55.1	0	0	0	0	111	T192 R397 S398 F415 K416 S417	T192-S419 WeakPolarHBondContact O-CA 3.46Å; R397-S419 WeakPolarHBondContact CA-O 3.48Å; S398-S419 PolarHBondContact N-O 2.85Å; F415-S419 WeakPolarHBondContact CE2-O 3.42Å; K416-S419 WeakPolarHBondContact O-CB 3.22Å; K416-S419 PolarHBondContact O-N 2.97Å; K416-S419 PolarHBondContact O-OG 2.82Å; S417-S419 VanDerWaalsContact C-N 3.26Å; S417-S419 PolarHBondContact O-N 3.38Å
420	I	96.2	Very high	95.6	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	122.2	179.8	-55.4	154.6	0	0	0	108.4	I191 T192 F232 I396 R397	I191-I420 CarbonylContact C-O 3.32Å; I191-I420 VanDerWaalsContact CA-O 3.31Å; I191-I420 WeakPolarHBondContact CA-O 3.31Å; T192-I420 PolarHBondContact N-O 3.03Å; T192-I420 PolarHBondContact O-N 3.45Å; F232-I420 HydrophobicContact CB-CD1 3.73Å; F232-I420 HydrophobicContact CB-CG1 4.27Å; F232-I420 HydrophobicContact CD2-CB 4.38Å; F232-I420 HydrophobicContact CD2-CD1 3.84Å; F232-I420 HydrophobicContact CD2-CG1 3.79Å; F232-I420 HydrophobicContact CD2-CG2 3.65Å; F232-I420 HydrophobicContact CE2-CG2 3.74Å; F232-I420 HydrophobicContact CG-CD1 4.19Å; F232-I420 HydrophobicContact CG-CG1 4.28Å; I396-I420 CarbonylContact O-C 3.51Å; I396-I420 VanDerWaalsContact O-CA 3.29Å; I396-I420 WeakPolarHBondContact O-CA 3.39Å; R397-I420 HydrophobicContact CB-CG1 4.26Å; R397-I420 HydrophobicContact CG-CG1 4.31Å
421	A	96.9	Very high	95.8	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	124.7	174.5	0	0	0	0	0	109.6	V189 T190 Y395 I396 L405 F415 F423	V189-A421 HydrophobicContact CG1-CB 4.26Å; T190-A421 WeakPolarHBondContact O-CA 3.16Å; Y395-A421 WeakPolarHBondContact CA-O 3.38Å; I396-A421 PolarHBondContact N-O 2.94Å; I396-A421 PolarHBondContact O-N 3.35Å; L405-A421 HydrophobicContact CD1-CB 4.06Å; F415-A421 HydrophobicContact CD2-CB 4.33Å; F415-A421 HydrophobicContact CE1-CB 4.41Å; F415-A421 HydrophobicContact CE2-CB 3.59Å; F415-A421 HydrophobicContact CZ-CB 3.63Å; A421-F423 HydrophobicContact CB-CD2 4.43Å; A421-F423 HydrophobicContact CB-CE2 3.54Å; A421-F423 HydrophobicContact CB-CZ 3.81Å
422	K	96.6	Very high	96	Very high	28 Å²	28	23.2 Å²	23.2	12%	0.122	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	127	169.2	170.7	179.4	176.6	141.6	0	108.8	V189 T190 E393 L394 Y395 T424	V189-K422 VanDerWaalsContact CA-O 3.31Å; V189-K422 WeakPolarHBondContact CA-O 3.01Å; T190-K422 PolarHBondContact N-O 3.36Å; T190-K422 PolarHBondContact O-N 2.72Å; E393-K422 WeakPolarHBondContact OE1-CE 3.24Å; E393-K422 IonicContact OE1-NZ 2.62Å; E393-K422 PolarHBondContact OE1-NZ 3.15Å; E393-K422 IonicContact OE2-NZ 3Å; E393-K422 PolarHBondContact OE2-NZ 3.26Å; L394-K422 CarbonylContact O-C 3.44Å; L394-K422 WeakPolarHBondContact O-CA 3.41Å; Y395-K422 HydrophobicContact CD1-CB 3.98Å; Y395-K422 HydrophobicContact CD1-CG 4.31Å; Y395-K422 HydrophobicContact CE1-CB 3.83Å; Y395-K422 HydrophobicContact CE1-CD 3.72Å; Y395-K422 HydrophobicContact CE1-CG 3.82Å; Y395-K422 WeakPolarHBondContact OH-CD 3.29Å; Y395-K422 PolarHBondContact OH-NZ 3.03Å; K422-T424 HydrophobicContact CD-CG2 4.32Å; K422-T424 HydrophobicContact CG-CG2 4.14Å
423	F	98.1	Very high	96	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	136.3	177.4	-52.4	-107.8	0	0	0	108.6	I187 R188 V189 V254 I287 M369 E393 L394 I396 L405 A421	I187-F423 HydrophobicContact CG2-CB 4.08Å; I187-F423 HydrophobicContact CG2-CD1 3.99Å; R188-F423 WeakPolarHBondContact O-CA 3Å; V189-F423 HydrophobicContact CG1-CE1 4.36Å; V189-F423 HydrophobicContact CG2-CD1 3.45Å; V189-F423 VanDerWaalsContact CG2-CD1 3.45Å; V189-F423 HydrophobicContact CG2-CE1 3.75Å; V189-F423 HydrophobicContact CG2-CG 4.21Å; V254-F423 HydrophobicContact CB-CD1 4.41Å; V254-F423 HydrophobicContact CB-CE1 4.01Å; V254-F423 HydrophobicContact CG1-CE1 3.79Å; V254-F423 HydrophobicContact CG2-CD1 4.5Å; V254-F423 HydrophobicContact CG2-CE1 4.46Å; I287-F423 HydrophobicContact CD1-CD1 4.43Å; I287-F423 HydrophobicContact CD1-CE1 3.98Å; I287-F423 HydrophobicContact CD1-CZ 4.22Å; I287-F423 HydrophobicContact CG1-CD1 4.3Å; I287-F423 HydrophobicContact CG1-CE1 4.34Å; I287-F423 HydrophobicContact CG2-CD1 4.5Å; M369-F423 HydrophobicContact CE-CB 3.89Å; M369-F423 VanDerWaalsContact CE-O 3.26Å; M369-F423 WeakPolarHBondContact CE-O 3.3Å; M369-F423 HydrophobicContact SD-CB 3.75Å; E393-F423 WeakPolarHBondContact CA-O 3.47Å; L394-F423 HydrophobicContact CB-CB 4.16Å; L394-F423 HydrophobicContact CB-CD2 4.28Å; L394-F423 HydrophobicContact CD2-CD2 4.23Å; L394-F423 HydrophobicContact CG-CD2 4.45Å; L394-F423 PolarHBondContact N-O 2.55Å; L394-F423 WeakPolarHBondContact O-CD2 3.37Å; L394-F423 PolarHBondContact O-N 2.62Å; I396-F423 HydrophobicContact CB-CE2 4.13Å; I396-F423 HydrophobicContact CD1-CD2 4.25Å; I396-F423 HydrophobicContact CD1-CE2 3.36Å; I396-F423 HydrophobicContact CD1-CZ 3.67Å; I396-F423 HydrophobicContact CG1-CD2 4.36Å; I396-F423 HydrophobicContact CG1-CE2 3.67Å; I396-F423 HydrophobicContact CG1-CZ 4.44Å; L405-F423 HydrophobicContact CD1-CZ 4.43Å; L405-F423 HydrophobicContact CD2-CZ 3.99Å; A421-F423 HydrophobicContact CB-CD2 4.43Å; A421-F423 HydrophobicContact CB-CE2 3.54Å; A421-F423 HydrophobicContact CB-CZ 3.81Å
424	T	97.2	Very high	96	Very high	10 Å²	10	23.1 Å²	23.1	6%	0.061	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	154.7	179.4	51.6	0	0	0	0	110.3	I187 R188 E393 K422	I187-T424 WeakPolarHBondContact CA-O 2.99Å; R188-T424 PolarHBondContact N-O 2.76Å; R188-T424 PolarHBondContact O-N 3.04Å; E393-T424 HydrophobicContact CG-CG2 4.09Å; K422-T424 HydrophobicContact CD-CG2 4.32Å; K422-T424 HydrophobicContact CG-CG2 4.14Å
425	V	97.5	Very high	95.9	Very high	8 Å²	8	23.4 Å²	23.4	5%	0.048	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	114.5	172.1	-179.1	0	0	0	0	108	Q185 I187 C367 M369	Q185-V425 HydrophobicContact CB-CG1 3.55Å; Q185-V425 HydrophobicContact CG-CG1 4.02Å; I187-V425 HydrophobicContact CG1-CG2 4.13Å; C367-V425 HydrophobicContact CB-CG1 4.45Å; M369-V425 HydrophobicContact CB-CG2 3.94Å; M369-V425 HydrophobicContact CG-CG2 4.24Å; M369-V425 HydrophobicContact SD-CG2 4.44Å
426	L	95.2	Very high	95.6	Very high	56 Å²	56	24.1 Å²	24.1	29%	0.293	15%	0.145	S	C	.	.			trans	-121.5	136.7	-173.6	-62.1	174.3	0	0	0	110.7	Q185 R188 S428 D429	Q185-L426 PolarHBondContact OE1-O 3.39Å; R188-L426 VanDerWaalsContact CZ-CD1 3.45Å; R188-L426 VanDerWaalsContact NH1-CD1 3.32Å; L426-S428 PolarHBondContact O-N 3.27Å; L426-S428 VanDerWaalsContact O-N 3.1Å; L426-D429 PolarHBondContact O-N 2.04Å
427	P	94.8	Very high	94.5	Very high	86 Å²	86	24 Å²	24	56%	0.558	15%	0.149	S	C	*	.	G	3₁₀ helix	trans	-55.4	-30.6	177.3	-25.7	31.5	0	0	0	114.2	D429 A430	P427-D429 PolarHBondContact O-N 3.49Å; P427-A430 VanDerWaalsContact O-CB 3.28Å; P427-A430 WeakPolarHBondContact O-CB 3.25Å; P427-A430 PolarHBondContact O-N 2.86Å; P427-A430 VanDerWaalsContact O-N 3.16Å
428	S	94.2	Very high	92.6	Very high	70 Å²	70	25.9 Å²	25.9	49%	0.49	16%	0.158	S	C	.	.	G	3₁₀ helix	trans	-69.2	-16.5	177.9	50.9	0	0	0	0	113.8	P139 L426	P139-S428 WeakPolarHBondContact CD-O 3.28Å; L426-S428 PolarHBondContact O-N 3.27Å; L426-S428 VanDerWaalsContact O-N 3.1Å
429	D	95.4	Very high	90.5	Very high	5 Å²	5	29.7 Å²	29.7	3%	0.027	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-97.3	0.8	174.4	-61.5	-33.2	0	0	0	112.2	R186 R188 F249 L426 P427	R186-D429 PolarHBondContact NE-O 2.91Å; R186-D429 PolarHBondContact NH2-O 2.83Å; R188-D429 IonicContact CZ-OD1 2.65Å; R188-D429 IonicContact CZ-OD2 2.79Å; R188-D429 IonicContact NE-OD1 3.69Å; R188-D429 IonicContact NE-OD2 3.11Å; R188-D429 PolarHBondContact NE-OD2 3.22Å; R188-D429 IonicContact NH2-OD1 2.78Å; R188-D429 PolarHBondContact NH2-OD1 2.92Å; R188-D429 IonicContact NH2-OD2 2.93Å; R188-D429 PolarHBondContact NH2-OD2 3Å; F249-D429 HydrophobicContact CD1-CB 4.25Å; F249-D429 HydrophobicContact CE1-CB 4.22Å; F249-D429 VanDerWaalsContact CE1-CG 3.47Å; F249-D429 WeakPolarHBondContact CE1-OD1 3.16Å; F249-D429 HydrophobicContact CZ-CB 4.48Å; F249-D429 VanDerWaalsContact CZ-OD1 3.29Å; F249-D429 WeakPolarHBondContact CZ-OD1 3.05Å; L426-D429 PolarHBondContact O-N 2.04Å; P427-D429 PolarHBondContact O-N 3.49Å
430	A	97	Very high	87.9	Confident	2 Å²	2	31.4 Å²	31.4	2%	0.017	19%	0.191	C	C	.	.			trans	-59.6	146.8	-179.4	0	0	0	0	0	112	P139 W183 R184 P427	P139-A430 WeakPolarHBondContact CA-O 3.47Å; P139-A430 WeakPolarHBondContact CB-O 3.34Å; W183-A430 HydrophobicContact CB-CB 4.38Å; W183-A430 HydrophobicContact CE3-CB 4.14Å; R184-A430 WeakPolarHBondContact O-CA 3.41Å; P427-A430 VanDerWaalsContact O-CB 3.28Å; P427-A430 WeakPolarHBondContact O-CB 3.25Å; P427-A430 PolarHBondContact O-N 2.86Å; P427-A430 VanDerWaalsContact O-N 3.16Å
431	L	97.6	Very high	85.2	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	116.5	176.8	-175.2	71.6	0	0	0	109.2	F129 A133 I136 I143 R184 R186 L251 C433	F129-L431 HydrophobicContact CE1-CD2 3.98Å; F129-L431 HydrophobicContact CZ-CD2 4.35Å; A133-L431 HydrophobicContact CB-CD1 4.42Å; A133-L431 HydrophobicContact CB-CD2 3.6Å; I136-L431 HydrophobicContact CB-CD1 3.95Å; I136-L431 HydrophobicContact CD1-CD1 3.99Å; I136-L431 HydrophobicContact CG2-CD1 3.72Å; I143-L431 HydrophobicContact CG2-CD1 3.77Å; I143-L431 HydrophobicContact CG2-CD2 3.76Å; I143-L431 HydrophobicContact CG2-CG 3.62Å; R184-L431 HydrophobicContact CB-CB 4.41Å; R184-L431 PolarHBondContact N-O 3.18Å; R184-L431 PolarHBondContact O-N 3.47Å; R186-L431 HydrophobicContact CG-CB 4.44Å; L251-L431 HydrophobicContact CD1-CD2 3.97Å; L251-L431 HydrophobicContact CD2-CD2 3.89Å; L431-C433 PolarHBondContact O-N 2.75Å
432	C	96.3	Very high	82.4	Confident	1 Å²	1	45 Å²	45	1%	0.007	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	113.4	179.5	68.2	0	0	0	0	111.3	P139 K141 P142 I143 W181 W183	P139-C432 WeakPolarHBondContact O-CB 3.03Å; P139-C432 PolarHBondContact O-SG 3.29Å; K141-C432 PolarHBondContact O-SG 2.8Å; K141-C432 VanDerWaalsContact O-SG 3.34Å; P142-C432 WeakPolarHBondContact CA-O 3.36Å; P142-C432 WeakPolarHBondContact CA-SG 3.35Å; P142-C432 VanDerWaalsContact N-SG 3.38Å; I143-C432 PolarHBondContact N-O 3.21Å; W181-C432 HydrophobicContact CE3-CB 4.31Å; W181-C432 HydrophobicContact CZ3-CB 4.35Å; W183-C432 HydrophobicContact CD2-CB 4.3Å; W183-C432 HydrophobicContact CE3-CB 3.74Å; W183-C432 HydrophobicContact CH2-CB 3.73Å; W183-C432 HydrophobicContact CZ2-CB 4.27Å; W183-C432 HydrophobicContact CZ3-CB 3.44Å; W183-C432 VanDerWaalsContact CZ3-CB 3.44Å
433	C	96.6	Very high	79.4	Confident	4 Å²	4	54.1 Å²	54.1	3%	0.027	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	175.1	178.5	-54.8	0	0	0	0	109.6	L182 L431	L182-C433 HydrophobicContact CB-CB 4.24Å; L182-C433 PolarHBondContact N-O 2.87Å; L182-C433 WeakPolarHBondContact O-CA 3.4Å; L182-C433 WeakPolarHBondContact O-CB 3.27Å; L182-C433 PolarHBondContact O-N 3.05Å; L431-C433 PolarHBondContact O-N 2.75Å
434	V	94.8	Very high	78.4	Confident	14 Å²	14	56.9 Å²	56.9	9%	0.085	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	150.1	173.5	-53.8	0	0	0	0	110.6	I144 L159 L174 F179 Q180 W181	I144-V434 HydrophobicContact CB-CG2 4.36Å; I144-V434 HydrophobicContact CD1-CG1 4.23Å; I144-V434 HydrophobicContact CD1-CG2 3.98Å; I144-V434 HydrophobicContact CG1-CG1 4.28Å; I144-V434 HydrophobicContact CG1-CG2 3.79Å; I144-V434 HydrophobicContact CG2-CG2 3.89Å; L159-V434 HydrophobicContact CD2-CG2 3.88Å; L174-V434 HydrophobicContact CD2-CB 4.39Å; L174-V434 HydrophobicContact CD2-CG2 3.69Å; F179-V434 HydrophobicContact CB-CB 4.38Å; F179-V434 HydrophobicContact CD2-CB 3.68Å; F179-V434 HydrophobicContact CD2-CG1 3.52Å; F179-V434 HydrophobicContact CE2-CB 4.17Å; F179-V434 HydrophobicContact CE2-CG1 3.46Å; F179-V434 VanDerWaalsContact CE2-CG1 3.46Å; F179-V434 HydrophobicContact CG-CB 4.1Å; F179-V434 HydrophobicContact CG-CG1 4.17Å; F179-V434 HydrophobicContact CZ-CG1 4.04Å; Q180-V434 CarbonylContact O-C 3.56Å; Q180-V434 WeakPolarHBondContact O-CA 3.35Å; W181-V434 HydrophobicContact CE3-CG1 4.17Å; W181-V434 HydrophobicContact CZ3-CG1 3.96Å
435	T	92.8	Very high	77.4	Confident	44 Å²	44	59.3 Å²	59.3	27%	0.27	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	152.2	172.5	-172.3	0	0	0	0	110.9	Q180 L182	Q180-T435 HydrophobicContact CB-CG2 3.88Å; Q180-T435 PolarHBondContact N-O 3.47Å; Q180-T435 PolarHBondContact O-N 2.87Å; L182-T435 HydrophobicContact CB-CG2 4.39Å
436	F	91.1	Very high	76.3	Confident	16 Å²	16	62.2 Å²	62.2	7%	0.07	36%	0.358	C	S	.	.			trans	-104.2	124.7	172.7	-70.4	-65.2	0	0	0	109.8	L159 P160 W162 C163 L173 L174 H178 F179 V438	L159-F436 HydrophobicContact CD1-CE2 4.2Å; L159-F436 HydrophobicContact CD2-CD2 3.88Å; L159-F436 HydrophobicContact CD2-CE2 3.79Å; P160-F436 HydrophobicContact CG-CB 4.44Å; W162-F436 HydrophobicContact CH2-CD1 4.44Å; W162-F436 AromaticContact CH2-CD2 3.86Å; W162-F436 HydrophobicContact CH2-CD2 3.86Å; W162-F436 HydrophobicContact CH2-CE1 4.47Å; W162-F436 AromaticContact CH2-CE2 3.88Å; W162-F436 HydrophobicContact CH2-CE2 3.88Å; W162-F436 HydrophobicContact CH2-CG 4.14Å; W162-F436 HydrophobicContact CH2-CZ 4.18Å; W162-F436 HydrophobicContact CZ2-CB 3.9Å; W162-F436 HydrophobicContact CZ2-CD1 4.29Å; W162-F436 AromaticContact CZ2-CD2 3.52Å; W162-F436 HydrophobicContact CZ2-CD2 3.52Å; W162-F436 HydrophobicContact CZ2-CE2 4.04Å; W162-F436 AromaticContact CZ2-CG 3.66Å; W162-F436 HydrophobicContact CZ2-CG 3.66Å; C163-F436 VanDerWaalsContact SG-CE2 3.54Å; L173-F436 HydrophobicContact CB-CE1 3.71Å; L173-F436 HydrophobicContact CB-CZ 4Å; L173-F436 HydrophobicContact CD1-CE1 4.34Å; L174-F436 HydrophobicContact CD2-CE1 4.4Å; L174-F436 HydrophobicContact CD2-CE2 4.31Å; L174-F436 HydrophobicContact CD2-CZ 3.75Å; L174-F436 HydrophobicContact CG-CZ 3.89Å; H178-F436 VanDerWaalsContact O-CD1 3.28Å; H178-F436 WeakPolarHBondContact O-CD1 3.36Å; H178-F436 VanDerWaalsContact O-CE1 3.23Å; H178-F436 WeakPolarHBondContact O-CE1 3.22Å; F179-F436 HydrophobicContact CB-CD1 4.21Å; F179-F436 HydrophobicContact CB-CE1 4.07Å; F436-V438 PolarHBondContact O-N 3.06Å
437	N	71.3	Confident	75.2	Confident	84 Å²	84	62.5 Å²	62.5	45%	0.449	36%	0.362	S	S	.	.	S	Bend	trans	-71.2	-17.2	172.9	-71.9	-2.3	0	0	0	113.2	Q180 P439	Q180-N437 VanDerWaalsContact CD-OD1 3.27Å; Q180-N437 PolarHBondContact NE2-ND2 3.03Å; Q180-N437 PolarHBondContact OE1-ND2 2.89Å; Q180-N437 PolarHBondContact OE1-OD1 3.4Å; N437-P439 WeakPolarHBondContact O-CD 3.38Å
438	V	54.9	Low	74	Confident	91 Å²	91	61.1 Å²	61.1	55%	0.552	35%	0.349	S	S	*	.			trans	-97.5	115.6	-171.9	-162.2	0	0	0	0	107.9	W162 F436 C440	W162-V438 PolarHBondContact NE1-O 3.43Å; W162-V438 VanDerWaalsContact NE1-O 3.16Å; F436-V438 PolarHBondContact O-N 3.06Å; V438-C440 VanDerWaalsContact C-N 3.28Å; V438-C440 PolarHBondContact O-N 3.46Å
439	P	51.6	Low	72.6	Confident	100 Å²	100	60.5 Å²	60.5	65%	0.649	34%	0.34	S	S	*	.			trans	-64.2	102.4	151.1	25.8	-25.2	0	0	0	104.7	N437 Q441	N437-P439 WeakPolarHBondContact O-CD 3.38Å; P439-Q441 PolarHBondContact O-N 2.76Å
440	C	40.3	Very low	71	Confident	41 Å²	41	64.4 Å²	64.4	28%	0.277	36%	0.362	S	S	.	.			trans	-49.7	118.7	-179.7	-170.6	0	0	0	0	107.6	W162 V438 V442	W162-C440 HydrophobicContact CB-CB 4.38Å; W162-C440 HydrophobicContact CD2-CB 3.38Å; W162-C440 HydrophobicContact CE3-CB 3.58Å; W162-C440 HydrophobicContact CG-CB 3.74Å; W162-C440 HydrophobicContact CH2-CB 4.36Å; W162-C440 HydrophobicContact CZ2-CB 4.16Å; W162-C440 HydrophobicContact CZ3-CB 4.09Å; V438-C440 VanDerWaalsContact C-N 3.28Å; V438-C440 PolarHBondContact O-N 3.46Å; C440-V442 VanDerWaalsContact C-N 3.29Å; C440-V442 PolarHBondContact O-N 3.43Å
441	Q	38.2	Very low	69	Low	170 Å²	170	69.2 Å²	69.2	79%	0.794	39%	0.389	S	S	*	.			trans	-61.8	102	171.1	-73.7	-169.5	-26.1	0	0	105.2	P439 N443	P439-Q441 PolarHBondContact O-N 2.76Å; Q441-N443 PolarHBondContact O-N 3.3Å; Q441-N443 VanDerWaalsContact O-N 3.12Å
442	V	40	Very low	66.6	Low	116 Å²	116	75 Å²	75	70%	0.703	42%	0.421	S	S	*	.			trans	-66.1	110.8	164.3	-174.1	0	0	0	0	103.9	C440	C440-V442 VanDerWaalsContact C-N 3.29Å; C440-V442 PolarHBondContact O-N 3.43Å
443	N	32.1	Very low	64	Low	219 Å²	219	81.7 Å²	81.7	100%	1.171	46%	0.459	S	S	*	.			trans	-52.3	0	171.6	-81.5	-25.6	0	0	0	111	Q441	Q441-N443 PolarHBondContact O-N 3.3Å; Q441-N443 VanDerWaalsContact O-N 3.12Å

Retrieved 443 of 443 residues in 149.4 ms (Link to these results)

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