A0A3Q0KJY8_SCHMA Loading...

Reticulocalbin-3

Probable molecular chaperone assisting protein biosynthesis and transport in the endoplasmic reticulum. Required for the proper biosynthesis and transport of pulmonary surfactant-associated protein A/SP-A, pulmonary surfactant-associated protein D/SP-D and the lipid transporter ABCA3. By regulating both the proper expression and the degradation through the endoplasmic reticulum-associated protein degradation pathway of these proteins plays a crucial role in pulmonary surfactant homeostasis. Has an anti-fibrotic activity by negatively regulating the secretion of type I and type III collagens. This calcium-binding protein also transiently associates with immature PCSK6 and regulates its secretion.

AlphaFold DB , UniProt , Accession A0A3Q0KJY8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 281 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	34.1	Very low	31.7	Very low	204 Å²	204	94.6 Å²	94.6	100%	1.005	46%	0.463	S	S	*	.				0	-21.5	0	-75	175.4	-178.5	0	0	112.7	W3 V4	M1-W3 PolarHBondContact O-N 3.12Å; M1-V4 PolarHBondContact O-N 3.33Å
2	T	33.5	Very low	31.7	Very low	92 Å²	92	91 Å²	91	56%	0.564	44%	0.443	S	S	*	.	H	α-helix	trans	-59.7	-35.6	174.5	41	0	0	0	0	114.8	V4 L5 L6	T2-V4 VanDerWaalsContact C-N 3.28Å; T2-V4 PolarHBondContact O-N 3.4Å; T2-L5 PolarHBondContact O-N 3.17Å; T2-L6 PolarHBondContact O-N 3.17Å
3	W	27.3	Very low	32	Very low	157 Å²	157	89.2 Å²	89.2	60%	0.595	44%	0.441	S	S	*	.	H	α-helix	trans	-63.2	-27.7	178.1	-74.6	81.7	0	0	0	114.8	M1 L5 W7 A233	M1-W3 PolarHBondContact O-N 3.12Å; W3-L5 VanDerWaalsContact C-N 3.35Å; W3-W7 WeakPolarHBondContact O-CB 3.39Å; W3-W7 PolarHBondContact O-N 3.2Å; W3-W7 VanDerWaalsContact O-N 3.16Å; W3-A233 HydrophobicContact CH2-CB 3.62Å; W3-A233 HydrophobicContact CZ2-CB 3.43Å; W3-A233 VanDerWaalsContact CZ2-CB 3.43Å
4	V	31.7	Very low	31.9	Very low	87 Å²	87	89 Å²	89	53%	0.527	44%	0.438	S	S	.	.	H	α-helix	trans	-70.1	-37.1	-179.7	179	0	0	0	0	110.1	M1 T2 W7 F8	M1-V4 PolarHBondContact O-N 3.33Å; T2-V4 VanDerWaalsContact C-N 3.28Å; T2-V4 PolarHBondContact O-N 3.4Å; V4-W7 PolarHBondContact O-N 3.48Å; V4-F8 HydrophobicContact CG1-CD2 3.86Å; V4-F8 HydrophobicContact CG1-CE2 4.06Å; V4-F8 WeakPolarHBondContact O-CB 3.35Å; V4-F8 VanDerWaalsContact O-CD2 3.29Å; V4-F8 WeakPolarHBondContact O-CD2 3.3Å; V4-F8 PolarHBondContact O-N 3.22Å
5	L	34.1	Very low	31.5	Very low	32 Å²	32	87.4 Å²	87.4	17%	0.168	44%	0.438	C	S	.	.	H	α-helix	trans	-79.9	-33.3	-178.6	-84	152.3	0	0	0	113.7	T2 W3 W7 F8 L9 Y201	T2-L5 PolarHBondContact O-N 3.17Å; W3-L5 VanDerWaalsContact C-N 3.35Å; L5-W7 VanDerWaalsContact C-N 3.28Å; L5-W7 PolarHBondContact O-N 3.5Å; L5-F8 CarbonylContact O-C 3.59Å; L5-F8 PolarHBondContact O-N 3.02Å; L5-L9 WeakPolarHBondContact O-CB 3.07Å; L5-L9 WeakPolarHBondContact O-CG 3.44Å; L5-L9 PolarHBondContact O-N 3.47Å; L5-Y201 HydrophobicContact CD1-CD1 3.81Å; L5-Y201 HydrophobicContact CD1-CE1 3.05Å; L5-Y201 HydrophobicContact CD1-CE2 4.08Å; L5-Y201 VanDerWaalsContact CD1-OH 3.29Å; L5-Y201 WeakPolarHBondContact CD1-OH 3.47Å; L5-Y201 HydrophobicContact CG-CE1 4.39Å
6	L	33.7	Very low	31.2	Very low	36 Å²	36	90 Å²	90	19%	0.188	45%	0.454	C	S	.	.	H	α-helix	trans	-65.2	-38.2	170.1	-146.9	79.2	0	0	0	111	T2 F8 L9 C10 P228	T2-L6 PolarHBondContact O-N 3.17Å; L6-F8 VanDerWaalsContact C-N 3.34Å; L6-L9 PolarHBondContact O-N 3.24Å; L6-C10 WeakPolarHBondContact O-CB 3.46Å; L6-C10 PolarHBondContact O-N 2.79Å; L6-C10 PolarHBondContact O-SG 3.25Å; L6-C10 VanDerWaalsContact O-SG 3.38Å; L6-P228 VanDerWaalsContact CD1-CD 3.46Å; L6-P228 HydrophobicContact CD1-CG 3.37Å; L6-P228 HydrophobicContact CD2-CG 3.34Å; L6-P228 HydrophobicContact CG-CG 3.9Å
7	W	32.3	Very low	31.2	Very low	172 Å²	172	88.4 Å²	88.4	65%	0.652	45%	0.447	S	S	*	.	H	α-helix	trans	-65.9	-35.7	172.5	-152.6	67.3	0	0	0	112.2	W3 V4 L5 S11	W3-W7 WeakPolarHBondContact O-CB 3.39Å; W3-W7 PolarHBondContact O-N 3.2Å; W3-W7 VanDerWaalsContact O-N 3.16Å; V4-W7 PolarHBondContact O-N 3.48Å; L5-W7 VanDerWaalsContact C-N 3.28Å; L5-W7 PolarHBondContact O-N 3.5Å; W7-S11 WeakPolarHBondContact O-CB 3.45Å; W7-S11 PolarHBondContact O-N 3.31Å; W7-S11 PolarHBondContact O-OG 3.24Å
8	F	27.8	Very low	31	Very low	124 Å²	124	93.3 Å²	93.3	54%	0.544	47%	0.468	S	S	.	.	H	α-helix	trans	-74.9	-33.6	176	-99.5	-87.3	0	0	0	113.8	V4 L5 L6	V4-F8 HydrophobicContact CG1-CD2 3.86Å; V4-F8 HydrophobicContact CG1-CE2 4.06Å; V4-F8 WeakPolarHBondContact O-CB 3.35Å; V4-F8 VanDerWaalsContact O-CD2 3.29Å; V4-F8 WeakPolarHBondContact O-CD2 3.3Å; V4-F8 PolarHBondContact O-N 3.22Å; L5-F8 CarbonylContact O-C 3.59Å; L5-F8 PolarHBondContact O-N 3.02Å; L6-F8 VanDerWaalsContact C-N 3.34Å
9	L	30.8	Very low	30.8	Very low	57 Å²	57	98.7 Å²	98.7	30%	0.298	49%	0.488	S	S	.	.	H	α-helix	trans	-75.9	-40.5	174.2	-75.9	163.4	0	0	0	111.2	L5 L6 W225	L5-L9 WeakPolarHBondContact O-CB 3.07Å; L5-L9 WeakPolarHBondContact O-CG 3.44Å; L5-L9 PolarHBondContact O-N 3.47Å; L6-L9 PolarHBondContact O-N 3.24Å; L9-W225 HydrophobicContact CD1-CH2 4.18Å
10	C	34.6	Very low	30.6	Very low	31 Å²	31	99.4 Å²	99.4	21%	0.209	49%	0.493	C	S	.	.	H	α-helix	trans	-73.2	-40.2	176.4	-74	0	0	0	0	113.3	L6 F12 E158	L6-C10 WeakPolarHBondContact O-CB 3.46Å; L6-C10 PolarHBondContact O-N 2.79Å; L6-C10 PolarHBondContact O-SG 3.25Å; L6-C10 VanDerWaalsContact O-SG 3.38Å; C10-F12 PolarHBondContact O-N 2.79Å; C10-E158 WeakPolarHBondContact SG-CG 3.46Å; C10-E158 PolarHBondContact SG-OE1 2.74Å
11	S	29	Very low	30.4	Very low	49 Å²	49	98.3 Å²	98.3	34%	0.343	49%	0.489	S	S	.	.	H	α-helix	trans	-69.2	-7.4	-176.9	-62.3	0	0	0	0	114.1	W7	W7-S11 WeakPolarHBondContact O-CB 3.45Å; W7-S11 PolarHBondContact O-N 3.31Å; W7-S11 PolarHBondContact O-OG 3.24Å
12	F	31.2	Very low	30	Very low	51 Å²	51	95 Å²	95	22%	0.224	48%	0.481	C	S	.	.	H	α-helix	trans	-112.7	-20	-169.9	-131	-102.7	0	0	0	116	C10 Q14 Y193 R194	C10-F12 PolarHBondContact O-N 2.79Å; F12-Q14 PolarHBondContact O-N 2.94Å; F12-Y193 HydrophobicContact CB-CE1 4.07Å; F12-Y193 HydrophobicContact CD1-CD1 4.22Å; F12-Y193 AromaticContact CD1-CE1 3.25Å; F12-Y193 HydrophobicContact CD1-CE1 3.25Å; F12-Y193 AromaticContact CD1-CZ 3.92Å; F12-Y193 AromaticContact CE1-CD1 4Å; F12-Y193 HydrophobicContact CE1-CD1 4Å; F12-Y193 AromaticContact CE1-CE1 3.39Å; F12-Y193 HydrophobicContact CE1-CE1 3.39Å; F12-Y193 AromaticContact CG-CE1 3.83Å; F12-Y193 HydrophobicContact CG-CE1 3.83Å; F12-Y193 HydrophobicContact CZ-CD1 4.37Å; F12-Y193 HydrophobicContact CZ-CE1 4.14Å; F12-R194 HydrophobicContact CE1-CG 4.19Å; F12-R194 VanDerWaalsContact CE1-NE 3.28Å; F12-R194 VanDerWaalsContact CZ-CD 3.45Å; F12-R194 HydrophobicContact CZ-CG 3.89Å
13	V	35.4	Very low	29.6	Very low	68 Å²	68	97.3 Å²	97.3	41%	0.412	49%	0.485	S	S	.	.	H	α-helix	trans	-75.2	-10.6	169.9	-174.9	0	0	0	0	110.4
14	Q	30.7	Very low	29.8	Very low	86 Å²	86	96.4 Å²	96.4	40%	0.402	49%	0.485	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.7	15.5	-178.1	-114	167.4	-11.1	0	0	114.6	F12	F12-Q14 PolarHBondContact O-N 2.94Å
15	C	26.6	Very low	29.6	Very low	65 Å²	65	99.1 Å²	99.1	44%	0.439	50%	0.495	S	S	.	.			trans	-109.2	68.9	-171.6	-123.3	0	0	0	0	113.5
16	D	26.2	Very low	29.1	Very low	129 Å²	129	99.9 Å²	99.9	69%	0.69	51%	0.51	S	S	*	.	S	Bend	trans	-110.6	24.1	139.2	-107	-19.1	0	0	0	110.2
17	D	32	Very low	28.9	Very low	63 Å²	63	102.2 Å²	102.2	34%	0.337	53%	0.526	S	S	.	.			trans	-106.1	48.4	169.9	-132.9	-29.4	0	0	0	109.9	K19 L20	D17-K19 PolarHBondContact O-N 3.45Å; D17-L20 HydrophobicContact CB-CB 4.48Å; D17-L20 HydrophobicContact CB-CD1 4.4Å; D17-L20 PolarHBondContact O-N 2.91Å; D17-L20 WeakPolarHBondContact OD2-CD1 3.47Å
18	E	27	Very low	29	Very low	176 Å²	176	101.9 Å²	101.9	82%	0.822	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	8.3	177.2	-113.1	-172.7	-178	0	0	113.6
19	K	27.7	Very low	29.3	Very low	197 Å²	197	104.4 Å²	104.4	86%	0.857	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.5	-1.7	165	-71.9	-176.2	-178.1	169.3	0	114	D17	D17-K19 PolarHBondContact O-N 3.45Å
20	L	26.7	Very low	29.7	Very low	111 Å²	111	104.7 Å²	104.7	58%	0.581	54%	0.539	S	S	*	.	S	Bend	trans	-105.9	66.4	172.2	-69.2	-179.9	0	0	0	111.5	D17 T22	D17-L20 HydrophobicContact CB-CB 4.48Å; D17-L20 HydrophobicContact CB-CD1 4.4Å; D17-L20 PolarHBondContact O-N 2.91Å; D17-L20 WeakPolarHBondContact OD2-CD1 3.47Å; L20-T22 PolarHBondContact O-N 3.24Å
21	N	26.3	Very low	30	Very low	78 Å²	78	105.3 Å²	105.3	42%	0.417	54%	0.543	S	S	.	.				51.7	75.9	120.1	-143.1	41.3	0	0	0	116	H23 F24	N21-H23 VanDerWaalsContact CG-CB 3.45Å; N21-H23 PolarHBondContact ND2-O 3.17Å; N21-H23 CarbonylContact O-C 3.57Å; N21-H23 PolarHBondContact O-N 3.25Å; N21-H23 WeakPolarHBondContact OD1-CB 3.25Å; N21-F24 HydrophobicContact CB-CD2 4.02Å; N21-F24 HydrophobicContact CB-CE2 4.41Å; N21-F24 WeakPolarHBondContact ND2-CD2 3.25Å; N21-F24 WeakPolarHBondContact ND2-CE2 3.41Å; N21-F24 PolarHBondContact O-N 3.38Å
22	T	26.4	Very low	30.5	Very low	135 Å²	135	107.4 Å²	107.4	83%	0.828	55%	0.547	S	S	*	.	S	Bend	trans	-64.5	8.6	147.3	49.5	0	0	0	0	112.4	L20 F24	L20-T22 PolarHBondContact O-N 3.24Å; T22-F24 VanDerWaalsContact C-N 3.33Å
23	H	24.1	Very low	31	Very low	139 Å²	139	108.5 Å²	108.5	64%	0.644	56%	0.561	S	S	*	*			trans	-89.3	38.7	153.8	-111.6	61.1	0	0	0	112.6	N21	N21-H23 VanDerWaalsContact CG-CB 3.45Å; N21-H23 PolarHBondContact ND2-O 3.17Å; N21-H23 CarbonylContact O-C 3.57Å; N21-H23 PolarHBondContact O-N 3.25Å; N21-H23 WeakPolarHBondContact OD1-CB 3.25Å
24	F	31.5	Very low	31.7	Very low	138 Å²	138	107.8 Å²	107.8	61%	0.605	56%	0.555	S	S	*	*			trans	-96.2	45.8	153.7	-97.7	-99	0	0	0	110.9	N21 T22 G26 V27	N21-F24 HydrophobicContact CB-CD2 4.02Å; N21-F24 HydrophobicContact CB-CE2 4.41Å; N21-F24 WeakPolarHBondContact ND2-CD2 3.25Å; N21-F24 WeakPolarHBondContact ND2-CE2 3.41Å; N21-F24 PolarHBondContact O-N 3.38Å; T22-F24 VanDerWaalsContact C-N 3.33Å; F24-G26 PolarHBondContact O-N 2.91Å; F24-V27 HydrophobicContact CD1-CB 4.08Å; F24-V27 HydrophobicContact CD1-CG2 4.03Å; F24-V27 HydrophobicContact CE1-CB 3.55Å; F24-V27 HydrophobicContact CE1-CG2 3.24Å; F24-V27 HydrophobicContact CZ-CG2 3.84Å
25	I	26.9	Very low	32.5	Very low	145 Å²	145	105.6 Å²	105.6	74%	0.744	55%	0.545	S	S	*	.	S	Bend	trans	-62.4	105.2	131.3	-56.7	171.5	0	0	0	105
26	G	24.4	Very low	33.7	Very low	47 Å²	47	107.2 Å²	107.2	49%	0.485	56%	0.555	S	S	.	*			trans	84.9	72.4	165.1	0	0	0	0	0	116.6	F24	F24-G26 PolarHBondContact O-N 2.91Å
27	V	30	Very low	35	Very low	86 Å²	86	110.1 Å²	110.1	52%	0.521	57%	0.565	S	S	.	*				-122.4	68.8	113.6	-173.9	0	0	0	0	106.4	F24 R29	F24-V27 HydrophobicContact CD1-CB 4.08Å; F24-V27 HydrophobicContact CD1-CG2 4.03Å; F24-V27 HydrophobicContact CE1-CB 3.55Å; F24-V27 HydrophobicContact CE1-CG2 3.24Å; F24-V27 HydrophobicContact CZ-CG2 3.84Å; V27-R29 HydrophobicContact CG1-CB 4.32Å; V27-R29 HydrophobicContact CG1-CG 3.74Å; V27-R29 PolarHBondContact O-N 3.46Å
28	H	34.7	Very low	36.4	Very low	164 Å²	164	110 Å²	110	76%	0.759	56%	0.563	S	S	*	*			trans	-56.4	87.6	139.2	-73.5	-78	0	0	0	105.3	N30	H28-N30 PolarHBondContact O-N 3.38Å
29	R	33.5	Very low	38.8	Very low	177 Å²	177	108.1 Å²	108.1	67%	0.668	55%	0.554	S	S	*	*			trans	-62.8	101.1	148.5	-93.7	179.9	-167.1	178.2	3	102.8	V27	V27-R29 HydrophobicContact CG1-CB 4.32Å; V27-R29 HydrophobicContact CG1-CG 3.74Å; V27-R29 PolarHBondContact O-N 3.46Å
30	N	38	Very low	41.2	Very low	63 Å²	63	100 Å²	100	34%	0.337	52%	0.519	S	S	.	.			trans	-41.8	129.5	174.4	-168.1	-19.3	0	0	0	107.3	H28 E32 S33	H28-N30 PolarHBondContact O-N 3.38Å; N30-E32 HydrophobicContact CB-CB 3.98Å; N30-E32 VanDerWaalsContact CG-CB 3.41Å; N30-E32 VanDerWaalsContact CG-CD 3.42Å; N30-E32 VanDerWaalsContact CG-CG 3.5Å; N30-E32 WeakPolarHBondContact ND2-CG 3.3Å; N30-E32 PolarHBondContact ND2-OE1 3.5Å; N30-E32 PolarHBondContact ND2-OE2 3.02Å; N30-E32 PolarHBondContact O-N 3.33Å; N30-E32 WeakPolarHBondContact OD1-CB 3.46Å; N30-E32 VanDerWaalsContact OD1-CG 3.25Å; N30-E32 WeakPolarHBondContact OD1-CG 3.37Å; N30-E32 PolarHBondContact OD1-N 3.2Å; N30-E32 VanDerWaalsContact OD1-N 3.08Å; N30-S33 PolarHBondContact O-N 3.34Å; N30-S33 PolarHBondContact O-OG 3.28Å
31	P	42.7	Very low	43.8	Very low	44 Å²	44	98.5 Å²	98.5	29%	0.286	51%	0.509	S	S	.	.	G	3₁₀ helix	trans	-54.9	-10.4	170.4	20.1	-30.3	0	0	0	112	S33 R43	P31-S33 PolarHBondContact O-N 3.24Å; P31-R43 PolarHBondContact O-NH1 3.32Å
32	E	37.8	Very low	46.5	Very low	93 Å²	93	98.3 Å²	98.3	44%	0.435	51%	0.507	S	S	.	.	G	3₁₀ helix	trans	-54.5	-21.8	161.9	-75	170.8	-150.5	0	0	115.1	N30 I34 L35 P36 R43	N30-E32 HydrophobicContact CB-CB 3.98Å; N30-E32 VanDerWaalsContact CG-CB 3.41Å; N30-E32 VanDerWaalsContact CG-CD 3.42Å; N30-E32 VanDerWaalsContact CG-CG 3.5Å; N30-E32 WeakPolarHBondContact ND2-CG 3.3Å; N30-E32 PolarHBondContact ND2-OE1 3.5Å; N30-E32 PolarHBondContact ND2-OE2 3.02Å; N30-E32 PolarHBondContact O-N 3.33Å; N30-E32 WeakPolarHBondContact OD1-CB 3.46Å; N30-E32 VanDerWaalsContact OD1-CG 3.25Å; N30-E32 WeakPolarHBondContact OD1-CG 3.37Å; N30-E32 PolarHBondContact OD1-N 3.2Å; N30-E32 VanDerWaalsContact OD1-N 3.08Å; E32-I34 PolarHBondContact O-N 3.42Å; E32-I34 VanDerWaalsContact O-N 3.17Å; E32-L35 CarbonylContact O-C 3.54Å; E32-L35 PolarHBondContact O-N 2.83Å; E32-P36 WeakPolarHBondContact O-CA 3.03Å; E32-P36 WeakPolarHBondContact O-CD 3.36Å; E32-P36 VanDerWaalsContact O-CG 3.3Å; E32-P36 WeakPolarHBondContact O-CG 3.23Å; E32-R43 VanDerWaalsContact N-NH1 3.15Å
33	S	42.6	Very low	49.1	Very low	74 Å²	74	92.5 Å²	92.5	52%	0.517	47%	0.47	S	S	.	.	G	3₁₀ helix	trans	-71.5	-12.3	-174.2	61.8	0	0	0	0	115.3	N30 P31	N30-S33 PolarHBondContact O-N 3.34Å; N30-S33 PolarHBondContact O-OG 3.28Å; P31-S33 PolarHBondContact O-N 3.24Å
34	I	49.2	Very low	52.1	Low	54 Å²	54	86 Å²	86	28%	0.277	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.5	-16.4	-179.4	-54.8	168.3	0	0	0	111.2	E32 A274 R275	E32-I34 PolarHBondContact O-N 3.42Å; E32-I34 VanDerWaalsContact O-N 3.17Å; I34-A274 HydrophobicContact CB-CB 4.31Å; I34-A274 HydrophobicContact CD1-CB 3.93Å; I34-A274 WeakPolarHBondContact CD1-O 3.02Å; I34-A274 VanDerWaalsContact CG2-O 3.23Å; I34-A274 WeakPolarHBondContact CG2-O 3.35Å; I34-R275 HydrophobicContact CD1-CB 3.41Å; I34-R275 VanDerWaalsContact CD1-CB 3.41Å; I34-R275 HydrophobicContact CD1-CG 3.53Å; I34-R275 HydrophobicContact CG1-CG 4.47Å
35	L	49	Very low	54.8	Low	39 Å²	39	82.9 Å²	82.9	20%	0.204	43%	0.427	C	S	.	.			trans	-143	73.2	169.6	-70.2	171.8	0	0	0	109.1	E32 E37 M38 R43 W278	E32-L35 CarbonylContact O-C 3.54Å; E32-L35 PolarHBondContact O-N 2.83Å; L35-E37 PolarHBondContact O-N 2.96Å; L35-E37 VanDerWaalsContact O-N 3.12Å; L35-M38 HydrophobicContact CB-CB 4.06Å; L35-M38 HydrophobicContact CD1-CB 4.46Å; L35-M38 HydrophobicContact CD1-CE 3.7Å; L35-M38 HydrophobicContact CD1-SD 4.06Å; L35-M38 HydrophobicContact CD2-SD 4.22Å; L35-R43 HydrophobicContact CD1-CG 3.76Å; L35-W278 HydrophobicContact CD1-CH2 3.72Å; L35-W278 HydrophobicContact CD1-CZ2 3.78Å; L35-W278 HydrophobicContact CD1-CZ3 4.46Å
36	P	52.1	Low	57.6	Low	99 Å²	99	78 Å²	78	64%	0.643	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-18.4	-177.2	-16.9	29.3	0	0	0	112.4	E32	E32-P36 WeakPolarHBondContact O-CA 3.03Å; E32-P36 WeakPolarHBondContact O-CD 3.36Å; E32-P36 VanDerWaalsContact O-CG 3.3Å; E32-P36 WeakPolarHBondContact O-CG 3.23Å
37	E	51.9	Low	60.6	Low	191 Å²	191	76 Å²	76	89%	0.893	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.6	-2.9	-170.4	-58.4	-162.1	172	0	0	114.5	L35	L35-E37 PolarHBondContact O-N 2.96Å; L35-E37 VanDerWaalsContact O-N 3.12Å
38	M	62.4	Low	63.5	Low	61 Å²	61	72.8 Å²	72.8	30%	0.3	36%	0.361	S	S	.	.	S	Bend	trans	-103.4	132.5	-175.9	-126	172.8	72.4	0	0	111	L35 D42 R43 V46	L35-M38 HydrophobicContact CB-CB 4.06Å; L35-M38 HydrophobicContact CD1-CB 4.46Å; L35-M38 HydrophobicContact CD1-CE 3.7Å; L35-M38 HydrophobicContact CD1-SD 4.06Å; L35-M38 HydrophobicContact CD2-SD 4.22Å; M38-D42 HydrophobicContact CE-CB 3.72Å; M38-D42 HydrophobicContact CG-CB 3.82Å; M38-D42 HydrophobicContact SD-CB 4.37Å; M38-R43 HydrophobicContact CE-CB 4.37Å; M38-R43 HydrophobicContact CE-CG 3.71Å; M38-V46 HydrophobicContact CE-CG2 4.09Å
39	H	77.2	Confident	66.1	Low	135 Å²	135	72.7 Å²	72.7	63%	0.625	36%	0.359	S	S	*	.			trans	-60	150.3	176	-85.2	-84.8	0	0	0	110.2	E41 D42 R43	H39-E41 PolarHBondContact O-N 3.03Å; H39-D42 WeakPolarHBondContact CB-OD2 3.3Å; H39-D42 PolarHBondContact N-OD2 3.13Å; H39-D42 WeakPolarHBondContact O-CB 3.44Å; H39-D42 PolarHBondContact O-N 2.88Å; H39-R43 PolarHBondContact O-N 3.27Å; H39-R43 VanDerWaalsContact O-N 3.17Å
40	F	77.8	Confident	68.7	Low	28 Å²	28	67 Å²	67	12%	0.123	34%	0.338	C	S	.	.	H	α-helix	trans	-59.6	-35.4	-178.6	178	-106.3	0	0	0	111.5	D42 R43 L44 S262 W265 K266 V271	F40-D42 VanDerWaalsContact C-N 3.34Å; F40-D42 PolarHBondContact O-N 3.08Å; F40-R43 WeakPolarHBondContact O-CB 3.3Å; F40-R43 PolarHBondContact O-N 2.91Å; F40-L44 HydrophobicContact CD1-CD1 4.05Å; F40-L44 HydrophobicContact CD1-CG 4.38Å; F40-L44 HydrophobicContact CE1-CD1 3.65Å; F40-L44 HydrophobicContact CE1-CD2 4.24Å; F40-L44 HydrophobicContact CE1-CG 3.98Å; F40-L44 HydrophobicContact CZ-CD1 4.3Å; F40-L44 HydrophobicContact CZ-CD2 4.04Å; F40-L44 HydrophobicContact CZ-CG 4.2Å; F40-L44 PolarHBondContact O-N 3.14Å; F40-S262 VanDerWaalsContact CE1-O 3.3Å; F40-S262 WeakPolarHBondContact CE1-O 3.26Å; F40-W265 HydrophobicContact CZ-CB 4.43Å; F40-K266 HydrophobicContact CE1-CB 4.25Å; F40-K266 HydrophobicContact CE2-CB 4.36Å; F40-K266 HydrophobicContact CE2-CG 4.34Å; F40-K266 HydrophobicContact CZ-CB 3.89Å; F40-K266 HydrophobicContact CZ-CG 4.35Å; F40-V271 HydrophobicContact CE2-CB 4.41Å; F40-V271 HydrophobicContact CE2-CG1 3.84Å; F40-V271 HydrophobicContact CZ-CG1 4.08Å
41	E	80.5	Confident	71.3	Confident	79 Å²	79	64 Å²	64	37%	0.369	32%	0.323	S	S	.	.	H	α-helix	trans	-60.6	-40.3	174	-64.6	73.9	-161.3	0	0	112	H39 R43 L44 H45 L259	H39-E41 PolarHBondContact O-N 3.03Å; E41-R43 VanDerWaalsContact C-N 3.33Å; E41-R43 PolarHBondContact O-N 3.33Å; E41-L44 WeakPolarHBondContact O-CB 3.07Å; E41-L44 PolarHBondContact O-N 2.84Å; E41-H45 PolarHBondContact O-N 3.27Å; E41-H45 PolarHBondContact O-ND1 2.83Å; E41-L259 HydrophobicContact CB-CD2 3.94Å; E41-L259 HydrophobicContact CG-CD2 4.28Å
42	D	83	Confident	73.7	Confident	73 Å²	73	62.4 Å²	62.4	39%	0.39	31%	0.312	S	S	.	.	H	α-helix	trans	-67.1	-36.7	176.4	-60.4	-36	0	0	0	111.1	M38 H39 F40 L44 H45 V46	M38-D42 HydrophobicContact CE-CB 3.72Å; M38-D42 HydrophobicContact CG-CB 3.82Å; M38-D42 HydrophobicContact SD-CB 4.37Å; H39-D42 WeakPolarHBondContact CB-OD2 3.3Å; H39-D42 PolarHBondContact N-OD2 3.13Å; H39-D42 WeakPolarHBondContact O-CB 3.44Å; H39-D42 PolarHBondContact O-N 2.88Å; F40-D42 VanDerWaalsContact C-N 3.34Å; F40-D42 PolarHBondContact O-N 3.08Å; D42-L44 VanDerWaalsContact C-N 3.33Å; D42-L44 PolarHBondContact O-N 2.88Å; D42-H45 WeakPolarHBondContact O-CB 3.41Å; D42-H45 PolarHBondContact O-N 2.99Å; D42-V46 PolarHBondContact O-N 2.94Å
43	R	81.8	Confident	76.3	Confident	13 Å²	13	62.3 Å²	62.3	5%	0.049	32%	0.318	C	S	.	.	H	α-helix	trans	-63.6	-40.2	173.9	-69.4	-173.9	-72.1	-159.2	-8.2	111.6	P31 E32 L35 M38 H39 F40 E41 H45 V46 Y47	P31-R43 PolarHBondContact O-NH1 3.32Å; E32-R43 VanDerWaalsContact N-NH1 3.15Å; L35-R43 HydrophobicContact CD1-CG 3.76Å; M38-R43 HydrophobicContact CE-CB 4.37Å; M38-R43 HydrophobicContact CE-CG 3.71Å; H39-R43 PolarHBondContact O-N 3.27Å; H39-R43 VanDerWaalsContact O-N 3.17Å; F40-R43 WeakPolarHBondContact O-CB 3.3Å; F40-R43 PolarHBondContact O-N 2.91Å; E41-R43 VanDerWaalsContact C-N 3.33Å; E41-R43 PolarHBondContact O-N 3.33Å; R43-H45 PolarHBondContact O-N 3.2Å; R43-V46 PolarHBondContact O-N 3.28Å; R43-Y47 HydrophobicContact CB-CD2 4.27Å; R43-Y47 HydrophobicContact CB-CE2 3.88Å; R43-Y47 WeakPolarHBondContact O-CD2 3.42Å; R43-Y47 PolarHBondContact O-N 3.01Å
44	L	86.3	Confident	78.7	Confident	2 Å²	2	62.7 Å²	62.7	1%	0.01	31%	0.314	C	S	.	.	H	α-helix	trans	-59.4	-34.1	175.3	-70.3	175	0	0	0	112.2	F40 E41 D42 V46 Y47 F48 I258 L259 W265 V271	F40-L44 HydrophobicContact CD1-CD1 4.05Å; F40-L44 HydrophobicContact CD1-CG 4.38Å; F40-L44 HydrophobicContact CE1-CD1 3.65Å; F40-L44 HydrophobicContact CE1-CD2 4.24Å; F40-L44 HydrophobicContact CE1-CG 3.98Å; F40-L44 HydrophobicContact CZ-CD1 4.3Å; F40-L44 HydrophobicContact CZ-CD2 4.04Å; F40-L44 HydrophobicContact CZ-CG 4.2Å; F40-L44 PolarHBondContact O-N 3.14Å; E41-L44 WeakPolarHBondContact O-CB 3.07Å; E41-L44 PolarHBondContact O-N 2.84Å; D42-L44 VanDerWaalsContact C-N 3.33Å; D42-L44 PolarHBondContact O-N 2.88Å; L44-V46 VanDerWaalsContact C-N 3.34Å; L44-V46 PolarHBondContact O-N 3.29Å; L44-Y47 PolarHBondContact O-N 3.28Å; L44-F48 VanDerWaalsContact O-CB 3.3Å; L44-F48 WeakPolarHBondContact O-CB 3.02Å; L44-F48 PolarHBondContact O-N 3.08Å; L44-I258 HydrophobicContact CB-CG2 4.45Å; L44-I258 HydrophobicContact CD1-CG2 4.21Å; L44-I258 HydrophobicContact CD2-CG2 4.13Å; L44-L259 HydrophobicContact CB-CD2 4.12Å; L44-L259 HydrophobicContact CD1-CD2 4.1Å; L44-W265 HydrophobicContact CD2-CB 4.14Å; L44-W265 HydrophobicContact CD2-CE3 4.38Å; L44-V271 HydrophobicContact CD2-CG1 4.4Å
45	H	88.8	Confident	80.8	Confident	73 Å²	73	66.2 Å²	66.2	34%	0.338	33%	0.333	S	S	.	.	H	α-helix	trans	-63.9	-39.7	173.2	-71.7	69.8	0	0	0	112.4	E41 D42 R43 K49 L255	E41-H45 PolarHBondContact O-N 3.27Å; E41-H45 PolarHBondContact O-ND1 2.83Å; D42-H45 WeakPolarHBondContact O-CB 3.41Å; D42-H45 PolarHBondContact O-N 2.99Å; R43-H45 PolarHBondContact O-N 3.2Å; H45-K49 PolarHBondContact O-N 2.97Å; H45-L255 VanDerWaalsContact CD2-CD2 3.46Å; H45-L255 WeakPolarHBondContact CD2-CD2 3.26Å
46	V	86.5	Confident	83	Confident	42 Å²	42	67.2 Å²	67.2	26%	0.255	34%	0.339	S	S	.	.	H	α-helix	trans	-69.5	-44.5	177.9	-178.2	0	0	0	0	110.8	M38 D42 R43 L44 F48 K49 K50 W278	M38-V46 HydrophobicContact CE-CG2 4.09Å; D42-V46 PolarHBondContact O-N 2.94Å; R43-V46 PolarHBondContact O-N 3.28Å; L44-V46 VanDerWaalsContact C-N 3.34Å; L44-V46 PolarHBondContact O-N 3.29Å; V46-F48 VanDerWaalsContact C-N 3.29Å; V46-F48 PolarHBondContact O-N 3.21Å; V46-K49 PolarHBondContact O-N 2.91Å; V46-K50 PolarHBondContact O-N 3.33Å; V46-W278 HydrophobicContact CB-CH2 4Å; V46-W278 HydrophobicContact CG1-CH2 3.44Å; V46-W278 VanDerWaalsContact CG1-CH2 3.44Å; V46-W278 HydrophobicContact CG1-CZ2 4.01Å; V46-W278 HydrophobicContact CG1-CZ3 4.07Å; V46-W278 HydrophobicContact CG2-CH2 4.11Å
47	Y	86.7	Confident	85	Confident	6 Å²	6	64.4 Å²	64.4	2%	0.024	33%	0.328	C	S	.	.	H	α-helix	trans	-59.2	-43.1	174.8	-66.9	-53.4	0	0	0	111.3	R43 L44 K49 K50 I51 W67 V271 H273	R43-Y47 HydrophobicContact CB-CD2 4.27Å; R43-Y47 HydrophobicContact CB-CE2 3.88Å; R43-Y47 WeakPolarHBondContact O-CD2 3.42Å; R43-Y47 PolarHBondContact O-N 3.01Å; L44-Y47 PolarHBondContact O-N 3.28Å; Y47-K49 VanDerWaalsContact C-N 3.33Å; Y47-K49 PolarHBondContact O-N 3.42Å; Y47-K50 PolarHBondContact O-N 3.23Å; Y47-I51 WeakPolarHBondContact O-CD1 3.32Å; Y47-I51 WeakPolarHBondContact O-CG1 3.47Å; Y47-I51 PolarHBondContact O-N 2.69Å; Y47-W67 HydrophobicContact CD1-CH2 4.4Å; Y47-W67 AromaticContact CD1-CZ2 3.67Å; Y47-W67 HydrophobicContact CD1-CZ2 3.67Å; Y47-W67 HydrophobicContact CE1-CZ2 4.11Å; Y47-V271 HydrophobicContact CD2-CG1 3.88Å; Y47-V271 HydrophobicContact CE2-CB 4.32Å; Y47-V271 HydrophobicContact CE2-CG1 3.58Å; Y47-H273 PolarHBondContact OH-O 2.97Å; Y47-H273 VanDerWaalsContact OH-O 3.13Å
48	F	90.9	Very high	87.1	Confident	18 Å²	18	58.6 Å²	58.6	8%	0.079	30%	0.3	C	S	.	.	H	α-helix	trans	-53.4	-51.7	179.2	-173.2	-87.1	0	0	0	112	L44 V46 K50 I51 D52 G57 I59 L255 I258	L44-F48 VanDerWaalsContact O-CB 3.3Å; L44-F48 WeakPolarHBondContact O-CB 3.02Å; L44-F48 PolarHBondContact O-N 3.08Å; V46-F48 VanDerWaalsContact C-N 3.29Å; V46-F48 PolarHBondContact O-N 3.21Å; F48-K50 VanDerWaalsContact C-N 3.27Å; F48-K50 PolarHBondContact O-N 3.17Å; F48-I51 PolarHBondContact O-N 3.36Å; F48-D52 HydrophobicContact CE1-CB 4.35Å; F48-D52 WeakPolarHBondContact O-CB 3.14Å; F48-D52 PolarHBondContact O-N 3.16Å; F48-G57 WeakPolarHBondContact CZ-O 3.42Å; F48-I59 HydrophobicContact CD2-CD1 3.44Å; F48-I59 VanDerWaalsContact CD2-CD1 3.44Å; F48-I59 HydrophobicContact CD2-CG1 4.04Å; F48-I59 HydrophobicContact CE2-CD1 3.72Å; F48-I59 HydrophobicContact CE2-CG1 3.83Å; F48-I59 HydrophobicContact CG-CD1 4.11Å; F48-I59 HydrophobicContact CZ-CG1 4.3Å; F48-L255 HydrophobicContact CB-CD1 3.9Å; F48-L255 HydrophobicContact CD1-CB 4.44Å; F48-L255 HydrophobicContact CD2-CB 3.94Å; F48-L255 HydrophobicContact CD2-CD1 4.12Å; F48-L255 HydrophobicContact CE1-CB 4.49Å; F48-L255 HydrophobicContact CE2-CB 3.99Å; F48-L255 VanDerWaalsContact CE2-N 3.32Å; F48-L255 HydrophobicContact CG-CB 4.18Å; F48-L255 HydrophobicContact CG-CD1 4.01Å; F48-L255 HydrophobicContact CZ-CB 4.26Å; F48-I258 HydrophobicContact CD2-CD1 3.64Å; F48-I258 HydrophobicContact CE2-CD1 3.92Å
49	K	90.4	Very high	88.7	Confident	163 Å²	163	55.7 Å²	55.7	71%	0.709	29%	0.285	S	S	*	.	H	α-helix	trans	-63.8	-30.1	179.3	-69.9	-178.1	179.1	-178.4	0	113.9	H45 V46 Y47	H45-K49 PolarHBondContact O-N 2.97Å; V46-K49 PolarHBondContact O-N 2.91Å; Y47-K49 VanDerWaalsContact C-N 3.33Å; Y47-K49 PolarHBondContact O-N 3.42Å
50	K	87.6	Confident	89.6	Confident	56 Å²	56	51.1 Å²	51.1	24%	0.243	26%	0.264	C	S	.	.	H	α-helix	trans	-80.7	-29.4	178.6	-70.6	-168.1	173.2	-173.5	0	112.4	V46 Y47 F48 W67 L277	V46-K50 PolarHBondContact O-N 3.33Å; Y47-K50 PolarHBondContact O-N 3.23Å; F48-K50 VanDerWaalsContact C-N 3.27Å; F48-K50 PolarHBondContact O-N 3.17Å; K50-W67 HydrophobicContact CB-CE3 4.24Å; K50-W67 HydrophobicContact CB-CH2 3.59Å; K50-W67 HydrophobicContact CB-CZ3 3.4Å; K50-W67 HydrophobicContact CD-CH2 3.66Å; K50-W67 HydrophobicContact CD-CZ3 4.08Å; K50-W67 HydrophobicContact CG-CH2 4.27Å; K50-W67 HydrophobicContact CG-CZ3 4.36Å; K50-L277 PolarHBondContact NZ-O 3.25Å
51	I	91.9	Very high	90.4	Very high	2 Å²	2	51.7 Å²	51.7	1%	0.01	27%	0.268	C	S	.	.	H	α-helix	trans	-79.2	-42	177.8	-60.1	161.3	0	0	0	110.7	Y47 F48 T53 I59 E63 L64 W67 W265 V270	Y47-I51 WeakPolarHBondContact O-CD1 3.32Å; Y47-I51 WeakPolarHBondContact O-CG1 3.47Å; Y47-I51 PolarHBondContact O-N 2.69Å; F48-I51 PolarHBondContact O-N 3.36Å; I51-T53 PolarHBondContact O-N 2.82Å; I51-I59 HydrophobicContact CB-CD1 3.67Å; I51-I59 HydrophobicContact CB-CG1 4Å; I51-I59 HydrophobicContact CD1-CD1 3.97Å; I51-I59 HydrophobicContact CG1-CD1 4.42Å; I51-I59 HydrophobicContact CG2-CB 4.26Å; I51-I59 HydrophobicContact CG2-CD1 3.71Å; I51-I59 HydrophobicContact CG2-CG1 3.74Å; I51-I59 HydrophobicContact CG2-CG2 3.56Å; I51-E63 HydrophobicContact CG2-CB 4.28Å; I51-L64 HydrophobicContact CD1-CD1 4.27Å; I51-L64 HydrophobicContact CG2-CD1 4.37Å; I51-W67 HydrophobicContact CD1-CD2 4.41Å; I51-W67 HydrophobicContact CD1-CG 4.14Å; I51-W67 HydrophobicContact CG1-CB 3.85Å; I51-W67 HydrophobicContact CG1-CD2 3.54Å; I51-W67 HydrophobicContact CG1-CE3 4Å; I51-W67 HydrophobicContact CG1-CG 3.47Å; I51-W67 VanDerWaalsContact CG1-CG 3.47Å; I51-W67 HydrophobicContact CG2-CB 4.2Å; I51-W265 HydrophobicContact CD1-CZ3 4.34Å; I51-V270 HydrophobicContact CD1-CG1 3.82Å
52	D	94.4	Very high	91.1	Very high	10 Å²	10	53 Å²	53	5%	0.053	28%	0.278	C	S	.	.			trans	-70.3	77.2	174.4	177.8	9.3	0	0	0	110.2	F48 N54 N55 N56 G57 I59	F48-D52 HydrophobicContact CE1-CB 4.35Å; F48-D52 WeakPolarHBondContact O-CB 3.14Å; F48-D52 PolarHBondContact O-N 3.16Å; D52-N54 VanDerWaalsContact C-N 3.33Å; D52-N54 PolarHBondContact OD1-OD1 3.02Å; D52-N54 VanDerWaalsContact OD1-OD1 3.09Å; D52-N55 PolarHBondContact O-N 2.91Å; D52-N55 WeakPolarHBondContact OD1-CA 3.43Å; D52-N55 PolarHBondContact OD1-N 3.32Å; D52-N56 PolarHBondContact OD1-N 2.93Å; D52-N56 PolarHBondContact OD2-N 2.85Å; D52-G57 VanDerWaalsContact OD2-CA 3.26Å; D52-G57 WeakPolarHBondContact OD2-CA 3.23Å; D52-G57 PolarHBondContact OD2-N 3.4Å; D52-I59 HydrophobicContact CB-CG1 4.36Å
53	T	91.2	Very high	91.6	Very high	91 Å²	91	50.3 Å²	50.3	56%	0.558	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-29.8	-175.2	56.1	0	0	0	0	112.5	I51 N55 E63	I51-T53 PolarHBondContact O-N 2.82Å; T53-N55 VanDerWaalsContact C-N 3.31Å; T53-N55 PolarHBondContact O-ND2 3.05Å; T53-E63 PolarHBondContact N-OE1 3.37Å; T53-E63 PolarHBondContact OG1-OE1 2.93Å
54	N	93.6	Very high	92.2	Very high	81 Å²	81	49.7 Å²	49.7	43%	0.433	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-5.6	179	70.6	35.1	0	0	0	112.8	D52 N56 E60 E63	D52-N54 VanDerWaalsContact C-N 3.33Å; D52-N54 PolarHBondContact OD1-OD1 3.02Å; D52-N54 VanDerWaalsContact OD1-OD1 3.09Å; N54-N56 VanDerWaalsContact C-N 3.25Å; N54-N56 PolarHBondContact ND2-ND2 3.34Å; N54-N56 PolarHBondContact O-N 3.14Å; N54-N56 WeakPolarHBondContact OD1-CB 3.43Å; N54-N56 PolarHBondContact OD1-N 2.83Å; N54-N56 PolarHBondContact OD1-ND2 3.24Å; N54-N56 PolarHBondContact OD1-OD1 3.24Å; N54-E60 PolarHBondContact ND2-OE2 3.32Å; N54-E60 VanDerWaalsContact ND2-OE2 3.07Å; N54-E63 PolarHBondContact N-OE1 3.49Å; N54-E63 VanDerWaalsContact N-OE1 3.12Å; N54-E63 PolarHBondContact ND2-OE1 3.36Å
55	N	92.7	Very high	92.6	Very high	129 Å²	129	50.1 Å²	50.1	69%	0.69	27%	0.265	S	S	*	.			trans	55.8	35.1	-179.9	-61.6	-86.3	0	0	0	113.3	D52 T53 G57	D52-N55 PolarHBondContact O-N 2.91Å; D52-N55 WeakPolarHBondContact OD1-CA 3.43Å; D52-N55 PolarHBondContact OD1-N 3.32Å; T53-N55 VanDerWaalsContact C-N 3.31Å; T53-N55 PolarHBondContact O-ND2 3.05Å; N55-G57 VanDerWaalsContact C-N 3.27Å
56	N	94.8	Very high	92.8	Very high	60 Å²	60	49.8 Å²	49.8	32%	0.321	27%	0.271	S	S	.	.	S	Bend	trans	-85.2	-3.3	178.6	75.3	18	0	0	0	112.8	D52 N54 F58 E60	D52-N56 PolarHBondContact OD1-N 2.93Å; D52-N56 PolarHBondContact OD2-N 2.85Å; N54-N56 VanDerWaalsContact C-N 3.25Å; N54-N56 PolarHBondContact ND2-ND2 3.34Å; N54-N56 PolarHBondContact O-N 3.14Å; N54-N56 WeakPolarHBondContact OD1-CB 3.43Å; N54-N56 PolarHBondContact OD1-N 2.83Å; N54-N56 PolarHBondContact OD1-ND2 3.24Å; N54-N56 PolarHBondContact OD1-OD1 3.24Å; N56-F58 VanDerWaalsContact O-CD2 3.23Å; N56-F58 WeakPolarHBondContact O-CD2 3.18Å; N56-F58 WeakPolarHBondContact O-CE2 3.29Å; N56-F58 WeakPolarHBondContact OD1-CA 3.38Å; N56-F58 VanDerWaalsContact OD1-CB 3.29Å; N56-F58 WeakPolarHBondContact OD1-CB 3.48Å; N56-F58 WeakPolarHBondContact OD1-CD2 3.45Å; N56-F58 PolarHBondContact OD1-N 3.27Å; N56-F58 PolarHBondContact OD1-O 2.95Å; N56-F58 VanDerWaalsContact OD1-O 3.14Å; N56-E60 PolarHBondContact ND2-OE1 2.83Å; N56-E60 PolarHBondContact ND2-OE2 2.98Å
57	G	94.8	Very high	93	Very high	40 Å²	40	48.5 Å²	48.5	41%	0.412	26%	0.261	S	S	.	.	S	Bend	trans	84.9	10.4	-179.8	0	0	0	0	0	113.8	F48 D52 N55	F48-G57 WeakPolarHBondContact CZ-O 3.42Å; D52-G57 VanDerWaalsContact OD2-CA 3.26Å; D52-G57 WeakPolarHBondContact OD2-CA 3.23Å; D52-G57 PolarHBondContact OD2-N 3.4Å; N55-G57 VanDerWaalsContact C-N 3.27Å
58	F	96.5	Very high	93.2	Very high	69 Å²	69	48.2 Å²	48.2	30%	0.303	26%	0.26	S	S	.	.	S	Bend	trans	-134.4	155.4	178.8	-55.2	-87.1	0	0	0	110.1	N56 K252 L253 T254	N56-F58 VanDerWaalsContact O-CD2 3.23Å; N56-F58 WeakPolarHBondContact O-CD2 3.18Å; N56-F58 WeakPolarHBondContact O-CE2 3.29Å; N56-F58 WeakPolarHBondContact OD1-CA 3.38Å; N56-F58 VanDerWaalsContact OD1-CB 3.29Å; N56-F58 WeakPolarHBondContact OD1-CB 3.48Å; N56-F58 WeakPolarHBondContact OD1-CD2 3.45Å; N56-F58 PolarHBondContact OD1-N 3.27Å; N56-F58 PolarHBondContact OD1-O 2.95Å; N56-F58 VanDerWaalsContact OD1-O 3.14Å; F58-K252 HydrophobicContact CB-CB 4.02Å; F58-K252 HydrophobicContact CB-CD 4.2Å; F58-K252 HydrophobicContact CD1-CB 3.95Å; F58-K252 HydrophobicContact CD1-CD 4.23Å; F58-K252 HydrophobicContact CD2-CD 4.38Å; F58-K252 HydrophobicContact CG-CB 4.2Å; F58-K252 HydrophobicContact CG-CD 4.01Å; F58-L253 WeakPolarHBondContact CA-O 3.29Å; F58-T254 HydrophobicContact CD1-CG2 3.83Å; F58-T254 HydrophobicContact CE1-CG2 3.7Å
59	I	95.8	Very high	93.2	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	122.5	167.1	-68.7	169.2	0	0	0	108.5	F48 I51 D52 L64 L253 I258	F48-I59 HydrophobicContact CD2-CD1 3.44Å; F48-I59 VanDerWaalsContact CD2-CD1 3.44Å; F48-I59 HydrophobicContact CD2-CG1 4.04Å; F48-I59 HydrophobicContact CE2-CD1 3.72Å; F48-I59 HydrophobicContact CE2-CG1 3.83Å; F48-I59 HydrophobicContact CG-CD1 4.11Å; F48-I59 HydrophobicContact CZ-CG1 4.3Å; I51-I59 HydrophobicContact CB-CD1 3.67Å; I51-I59 HydrophobicContact CB-CG1 4Å; I51-I59 HydrophobicContact CD1-CD1 3.97Å; I51-I59 HydrophobicContact CG1-CD1 4.42Å; I51-I59 HydrophobicContact CG2-CB 4.26Å; I51-I59 HydrophobicContact CG2-CD1 3.71Å; I51-I59 HydrophobicContact CG2-CG1 3.74Å; I51-I59 HydrophobicContact CG2-CG2 3.56Å; D52-I59 HydrophobicContact CB-CG1 4.36Å; I59-L64 HydrophobicContact CG2-CB 3.78Å; I59-L64 HydrophobicContact CG2-CD1 4.48Å; I59-L253 HydrophobicContact CB-CB 4.21Å; I59-L253 PolarHBondContact N-O 2.81Å; I59-L253 PolarHBondContact O-N 3.18Å; I59-I258 HydrophobicContact CD1-CD1 3.8Å
60	E	95.5	Very high	93.1	Very high	39 Å²	39	46.7 Å²	46.7	18%	0.182	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	161.9	173.5	-68.2	119.8	171	0	0	112.4	N54 N56 D62 E63 L64 K252	N54-E60 PolarHBondContact ND2-OE2 3.32Å; N54-E60 VanDerWaalsContact ND2-OE2 3.07Å; N56-E60 PolarHBondContact ND2-OE1 2.83Å; N56-E60 PolarHBondContact ND2-OE2 2.98Å; E60-D62 VanDerWaalsContact C-N 3.28Å; E60-D62 PolarHBondContact O-N 2.94Å; E60-E63 PolarHBondContact N-OE2 2.97Å; E60-E63 PolarHBondContact O-N 2.85Å; E60-E63 VanDerWaalsContact O-N 3.08Å; E60-L64 PolarHBondContact O-N 3.16Å; E60-K252 HydrophobicContact CG-CG 4.12Å; E60-K252 WeakPolarHBondContact OE1-CE 3.3Å; E60-K252 IonicContact OE1-NZ 3.85Å; E60-K252 PolarHBondContact OE1-NZ 3.41Å
61	D	94.4	Very high	93.1	Very high	39 Å²	39	44 Å²	44	21%	0.209	24%	0.243	C	C	.	.	H	α-helix	trans	-53	-43	-175.4	-177.5	81.1	0	0	0	112.5	L64 A65 T239 M242	D61-L64 PolarHBondContact O-N 3.01Å; D61-A65 VanDerWaalsContact O-CB 3.29Å; D61-A65 WeakPolarHBondContact O-CB 3.41Å; D61-A65 PolarHBondContact O-N 3.4Å; D61-T239 VanDerWaalsContact OD1-CA 3.31Å; D61-T239 WeakPolarHBondContact OD1-CA 3.25Å; D61-T239 PolarHBondContact OD1-N 3.03Å; D61-T239 PolarHBondContact OD1-OG1 3.29Å; D61-M242 HydrophobicContact CB-CG 4.18Å
62	D	94.6	Very high	92.9	Very high	106 Å²	106	45 Å²	45	57%	0.567	25%	0.247	S	C	*	.	H	α-helix	trans	-70.7	-34.1	-179.3	-72.3	-35.7	0	0	0	112.8	E60 S66 K235	E60-D62 VanDerWaalsContact C-N 3.28Å; E60-D62 PolarHBondContact O-N 2.94Å; D62-S66 WeakPolarHBondContact O-CB 2.94Å; D62-S66 PolarHBondContact O-N 2.92Å; D62-S66 PolarHBondContact O-OG 2.84Å; D62-K235 IonicContact OD1-NZ 3.61Å
63	E	95.4	Very high	92.6	Very high	17 Å²	17	48.2 Å²	48.2	8%	0.079	26%	0.262	C	S	.	.	H	α-helix	trans	-68.8	-44.5	175.2	-69.8	-172.3	124.5	0	0	110.8	I51 T53 N54 E60 S66 W67	I51-E63 HydrophobicContact CG2-CB 4.28Å; T53-E63 PolarHBondContact N-OE1 3.37Å; T53-E63 PolarHBondContact OG1-OE1 2.93Å; N54-E63 PolarHBondContact N-OE1 3.49Å; N54-E63 VanDerWaalsContact N-OE1 3.12Å; N54-E63 PolarHBondContact ND2-OE1 3.36Å; E60-E63 PolarHBondContact N-OE2 2.97Å; E60-E63 PolarHBondContact O-N 2.85Å; E60-E63 VanDerWaalsContact O-N 3.08Å; E63-S66 PolarHBondContact O-N 3.27Å; E63-W67 PolarHBondContact O-N 3.2Å
64	L	94.2	Very high	92.4	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-63.4	-43.3	176.2	-173.7	56.8	0	0	0	111.6	I51 I59 E60 D61 S66 W67 I68 A238 L241 M242 L253 W265 V270	I51-L64 HydrophobicContact CD1-CD1 4.27Å; I51-L64 HydrophobicContact CG2-CD1 4.37Å; I59-L64 HydrophobicContact CG2-CB 3.78Å; I59-L64 HydrophobicContact CG2-CD1 4.48Å; E60-L64 PolarHBondContact O-N 3.16Å; D61-L64 PolarHBondContact O-N 3.01Å; L64-S66 VanDerWaalsContact C-N 3.33Å; L64-S66 PolarHBondContact O-N 2.74Å; L64-W67 PolarHBondContact O-N 2.83Å; L64-I68 HydrophobicContact CD1-CD1 4.2Å; L64-I68 HydrophobicContact CG-CD1 3.96Å; L64-I68 WeakPolarHBondContact O-CD1 3.41Å; L64-I68 VanDerWaalsContact O-CG1 3.3Å; L64-I68 WeakPolarHBondContact O-CG1 3.34Å; L64-I68 PolarHBondContact O-N 3.36Å; L64-A238 HydrophobicContact CB-CB 4.1Å; L64-A238 HydrophobicContact CD2-CB 4.22Å; L64-A238 HydrophobicContact CG-CB 3.96Å; L64-L241 HydrophobicContact CD2-CB 3.91Å; L64-L241 HydrophobicContact CD2-CD1 4.34Å; L64-M242 HydrophobicContact CD2-CG 4.26Å; L64-M242 HydrophobicContact CD2-SD 4.08Å; L64-L253 HydrophobicContact CD2-CD1 4.39Å; L64-W265 HydrophobicContact CD1-CH2 3.78Å; L64-W265 HydrophobicContact CD1-CZ3 4.05Å; L64-W265 HydrophobicContact CD2-CH2 4.13Å; L64-V270 HydrophobicContact CD1-CG2 3.84Å
65	A	93.7	Very high	92.1	Very high	12 Å²	12	43.3 Å²	43.3	10%	0.099	23%	0.233	C	C	.	.	H	α-helix	trans	-61.6	-42.4	175.8	0	0	0	0	0	111.6	D61 W67 I68 L69 K235 A238	D61-A65 VanDerWaalsContact O-CB 3.29Å; D61-A65 WeakPolarHBondContact O-CB 3.41Å; D61-A65 PolarHBondContact O-N 3.4Å; A65-W67 VanDerWaalsContact C-N 3.34Å; A65-W67 PolarHBondContact O-N 2.95Å; A65-I68 PolarHBondContact O-N 2.66Å; A65-L69 WeakPolarHBondContact O-CB 3.4Å; A65-L69 PolarHBondContact O-N 2.89Å; A65-K235 HydrophobicContact CB-CB 4.38Å; A65-A238 HydrophobicContact CB-CB 3.74Å
66	S	92.5	Very high	92	Very high	65 Å²	65	38 Å²	38	46%	0.455	21%	0.205	S	C	.	.	H	α-helix	trans	-63.5	-40.6	177.5	-61.2	0	0	0	0	111.8	D62 E63 L64 L69 K70	D62-S66 WeakPolarHBondContact O-CB 2.94Å; D62-S66 PolarHBondContact O-N 2.92Å; D62-S66 PolarHBondContact O-OG 2.84Å; E63-S66 PolarHBondContact O-N 3.27Å; L64-S66 VanDerWaalsContact C-N 3.33Å; L64-S66 PolarHBondContact O-N 2.74Å; S66-L69 PolarHBondContact O-N 3.33Å; S66-K70 WeakPolarHBondContact O-CG 3.34Å; S66-K70 PolarHBondContact O-N 2.74Å
67	W	92	Very high	91.8	Very high	15 Å²	15	39.6 Å²	39.6	6%	0.057	21%	0.206	C	C	.	.	H	α-helix	trans	-63.4	-45.3	174.8	177.6	-94.8	0	0	0	112.8	Y47 K50 I51 E63 L64 A65 L69 K70 T71 V270 L277	Y47-W67 HydrophobicContact CD1-CH2 4.4Å; Y47-W67 AromaticContact CD1-CZ2 3.67Å; Y47-W67 HydrophobicContact CD1-CZ2 3.67Å; Y47-W67 HydrophobicContact CE1-CZ2 4.11Å; K50-W67 HydrophobicContact CB-CE3 4.24Å; K50-W67 HydrophobicContact CB-CH2 3.59Å; K50-W67 HydrophobicContact CB-CZ3 3.4Å; K50-W67 HydrophobicContact CD-CH2 3.66Å; K50-W67 HydrophobicContact CD-CZ3 4.08Å; K50-W67 HydrophobicContact CG-CH2 4.27Å; K50-W67 HydrophobicContact CG-CZ3 4.36Å; I51-W67 HydrophobicContact CD1-CD2 4.41Å; I51-W67 HydrophobicContact CD1-CG 4.14Å; I51-W67 HydrophobicContact CG1-CB 3.85Å; I51-W67 HydrophobicContact CG1-CD2 3.54Å; I51-W67 HydrophobicContact CG1-CE3 4Å; I51-W67 HydrophobicContact CG1-CG 3.47Å; I51-W67 VanDerWaalsContact CG1-CG 3.47Å; I51-W67 HydrophobicContact CG2-CB 4.2Å; E63-W67 PolarHBondContact O-N 3.2Å; L64-W67 PolarHBondContact O-N 2.83Å; A65-W67 VanDerWaalsContact C-N 3.34Å; A65-W67 PolarHBondContact O-N 2.95Å; W67-L69 VanDerWaalsContact C-N 3.31Å; W67-L69 PolarHBondContact O-N 3.43Å; W67-K70 PolarHBondContact O-N 3Å; W67-T71 PolarHBondContact O-N 2.87Å; W67-T71 PolarHBondContact O-OG1 3.36Å; W67-V270 PolarHBondContact NE1-O 2.76Å; W67-L277 HydrophobicContact CH2-CD1 3.39Å; W67-L277 HydrophobicContact CZ2-CD1 3.73Å; W67-L277 HydrophobicContact CZ3-CD1 3.9Å
68	I	90.7	Very high	91.5	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-64.5	-39.3	179.1	-67.6	162.1	0	0	0	110.4	L64 A65 T71 Y72 A234 E237 A238 L241 Q269 V270	L64-I68 HydrophobicContact CD1-CD1 4.2Å; L64-I68 HydrophobicContact CG-CD1 3.96Å; L64-I68 WeakPolarHBondContact O-CD1 3.41Å; L64-I68 VanDerWaalsContact O-CG1 3.3Å; L64-I68 WeakPolarHBondContact O-CG1 3.34Å; L64-I68 PolarHBondContact O-N 3.36Å; A65-I68 PolarHBondContact O-N 2.66Å; I68-T71 VanDerWaalsContact O-CB 3.31Å; I68-T71 WeakPolarHBondContact O-CB 3.46Å; I68-T71 PolarHBondContact O-N 2.98Å; I68-Y72 HydrophobicContact CG2-CD2 4.19Å; I68-Y72 HydrophobicContact CG2-CE1 4.28Å; I68-Y72 HydrophobicContact CG2-CE2 3.59Å; I68-Y72 PolarHBondContact O-N 3.12Å; I68-A234 HydrophobicContact CB-CB 4.09Å; I68-A234 HydrophobicContact CG2-CB 3.8Å; I68-E237 HydrophobicContact CD1-CB 4.24Å; I68-E237 HydrophobicContact CD1-CG 3.92Å; I68-E237 HydrophobicContact CG2-CB 4.5Å; I68-E237 HydrophobicContact CG2-CG 4.49Å; I68-A238 HydrophobicContact CD1-CB 4Å; I68-L241 HydrophobicContact CD1-CD1 4.14Å; I68-Q269 HydrophobicContact CG2-CB 4.13Å; I68-V270 HydrophobicContact CD1-CG2 4.17Å; I68-V270 HydrophobicContact CG1-CG2 3.9Å
69	L	90.1	Very high	91.2	Very high	35 Å²	35	40.5 Å²	40.5	18%	0.183	20%	0.2	C	C	.	.	H	α-helix	trans	-60.9	-50.3	175.4	178.7	59.1	0	0	0	111.4	A65 S66 W67 T71 Y72 E73 L230 K231 A234	A65-L69 WeakPolarHBondContact O-CB 3.4Å; A65-L69 PolarHBondContact O-N 2.89Å; S66-L69 PolarHBondContact O-N 3.33Å; W67-L69 VanDerWaalsContact C-N 3.31Å; W67-L69 PolarHBondContact O-N 3.43Å; L69-T71 PolarHBondContact O-N 2.82Å; L69-Y72 WeakPolarHBondContact O-CB 3.17Å; L69-Y72 PolarHBondContact O-N 2.86Å; L69-E73 HydrophobicContact CD1-CG 4.35Å; L69-E73 WeakPolarHBondContact O-CG 3.41Å; L69-E73 PolarHBondContact O-N 2.94Å; L69-L230 HydrophobicContact CD1-CB 3.75Å; L69-K231 HydrophobicContact CD2-CB 4.24Å; L69-K231 HydrophobicContact CD2-CG 4.29Å; L69-A234 HydrophobicContact CB-CB 3.88Å
70	K	89.2	Confident	91.1	Very high	115 Å²	115	40.5 Å²	40.5	50%	0.5	20%	0.2	S	C	.	.	H	α-helix	trans	-57	-35.6	175	-73.3	177.9	179.3	-177	0	112.2	S66 W67 S74	S66-K70 WeakPolarHBondContact O-CG 3.34Å; S66-K70 PolarHBondContact O-N 2.74Å; W67-K70 PolarHBondContact O-N 3Å; K70-S74 WeakPolarHBondContact O-CB 3.47Å; K70-S74 PolarHBondContact O-N 3.06Å
71	T	87.9	Confident	91	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-63.9	-45.8	174.6	-61.2	0	0	0	0	110.9	W67 I68 L69 S74 L75 Q269 H273	W67-T71 PolarHBondContact O-N 2.87Å; W67-T71 PolarHBondContact O-OG1 3.36Å; I68-T71 VanDerWaalsContact O-CB 3.31Å; I68-T71 WeakPolarHBondContact O-CB 3.46Å; I68-T71 PolarHBondContact O-N 2.98Å; L69-T71 PolarHBondContact O-N 2.82Å; T71-S74 PolarHBondContact O-N 3.38Å; T71-L75 WeakPolarHBondContact O-CG 3.22Å; T71-L75 PolarHBondContact O-N 2.56Å; T71-Q269 WeakPolarHBondContact CG2-O 3.5Å; T71-H273 HydrophobicContact CG2-CB 3.76Å; T71-H273 PolarHBondContact O-CD2 2.92Å
72	Y	87.2	Confident	90.9	Very high	21 Å²	21	47.8 Å²	47.8	8%	0.082	23%	0.231	C	C	.	.	H	α-helix	trans	-61.3	-50.3	175.8	-63.4	-35.6	0	0	0	112.6	I68 L69 S74 L75 D76 L230 A233 A234 Q269	I68-Y72 HydrophobicContact CG2-CD2 4.19Å; I68-Y72 HydrophobicContact CG2-CE1 4.28Å; I68-Y72 HydrophobicContact CG2-CE2 3.59Å; I68-Y72 PolarHBondContact O-N 3.12Å; L69-Y72 WeakPolarHBondContact O-CB 3.17Å; L69-Y72 PolarHBondContact O-N 2.86Å; Y72-S74 PolarHBondContact O-N 3.09Å; Y72-L75 WeakPolarHBondContact O-CB 3.48Å; Y72-L75 PolarHBondContact O-N 3.22Å; Y72-D76 PolarHBondContact O-N 2.91Å; Y72-L230 HydrophobicContact CD2-CD2 3.77Å; Y72-L230 HydrophobicContact CG-CD2 4.01Å; Y72-A233 HydrophobicContact CE2-CB 4.31Å; Y72-A234 HydrophobicContact CD2-CB 4.24Å; Y72-A234 HydrophobicContact CE2-CB 3.98Å; Y72-Q269 HydrophobicContact CE1-CB 3.82Å; Y72-Q269 HydrophobicContact CE1-CG 3.67Å; Y72-Q269 WeakPolarHBondContact OH-CG 3.21Å
73	E	88.9	Confident	90.8	Very high	78 Å²	78	44.7 Å²	44.7	36%	0.364	21%	0.213	S	C	.	.	H	α-helix	trans	-58.7	-38.8	179.7	-67.3	169.9	162.1	0	0	111.6	L69 D76 R77 Y160	L69-E73 HydrophobicContact CD1-CG 4.35Å; L69-E73 WeakPolarHBondContact O-CG 3.41Å; L69-E73 PolarHBondContact O-N 2.94Å; E73-D76 PolarHBondContact O-N 2.83Å; E73-R77 WeakPolarHBondContact O-CB 3.48Å; E73-R77 PolarHBondContact O-N 2.95Å; E73-Y160 HydrophobicContact CG-CE1 4.34Å
74	S	86.7	Confident	90.8	Very high	13 Å²	13	45.1 Å²	45.1	9%	0.091	22%	0.216	C	C	.	.	H	α-helix	trans	-68.1	-34.9	175.9	173.3	0	0	0	0	113.1	K70 T71 Y72 D76 E78 H273 S276	K70-S74 WeakPolarHBondContact O-CB 3.47Å; K70-S74 PolarHBondContact O-N 3.06Å; T71-S74 PolarHBondContact O-N 3.38Å; Y72-S74 PolarHBondContact O-N 3.09Å; S74-D76 VanDerWaalsContact C-N 3.34Å; S74-E78 WeakPolarHBondContact O-CB 3.09Å; S74-E78 PolarHBondContact O-N 2.71Å; S74-H273 WeakPolarHBondContact CB-NE2 3.21Å; S74-H273 PolarHBondContact O-NE2 3.49Å; S74-H273 PolarHBondContact OG-CD2 3.01Å; S74-H273 VanDerWaalsContact OG-CD2 3.22Å; S74-H273 PolarHBondContact OG-CE1 2.94Å; S74-H273 VanDerWaalsContact OG-CE1 3.29Å; S74-H273 PolarHBondContact OG-NE2 3.23Å; S74-S276 VanDerWaalsContact OG-CB 3.31Å; S74-S276 WeakPolarHBondContact OG-CB 3.47Å; S74-S276 PolarHBondContact OG-OG 2.93Å
75	L	86.8	Confident	90.7	Very high	57 Å²	57	50.8 Å²	50.8	30%	0.298	25%	0.251	S	S	.	.	H	α-helix	trans	-66.8	-41	175.9	-76	171.2	0	0	0	110.4	T71 Y72 E78 H79 H273	T71-L75 WeakPolarHBondContact O-CG 3.22Å; T71-L75 PolarHBondContact O-N 2.56Å; Y72-L75 WeakPolarHBondContact O-CB 3.48Å; Y72-L75 PolarHBondContact O-N 3.22Å; L75-E78 PolarHBondContact O-N 3.31Å; L75-H79 WeakPolarHBondContact O-CB 3.5Å; L75-H79 PolarHBondContact O-N 3.28Å; L75-H273 WeakPolarHBondContact CA-NE2 3.3Å; L75-H273 VanDerWaalsContact CD2-NE2 3.28Å; L75-H273 WeakPolarHBondContact CD2-NE2 3.11Å; L75-H273 WeakPolarHBondContact CG-CD2 3.06Å; L75-H273 WeakPolarHBondContact CG-NE2 3.43Å; L75-H273 PolarHBondContact N-NE2 3.47Å
76	D	89.7	Confident	90.7	Very high	18 Å²	18	55 Å²	55	10%	0.096	26%	0.264	C	S	.	.	H	α-helix	trans	-64.8	-43.3	176.6	-68.1	-22.4	0	0	0	110.9	Y72 E73 S74 H79 A80 T152 R156 N159 Y160	Y72-D76 PolarHBondContact O-N 2.91Å; E73-D76 PolarHBondContact O-N 2.83Å; S74-D76 VanDerWaalsContact C-N 3.34Å; D76-H79 WeakPolarHBondContact O-CB 3.45Å; D76-H79 PolarHBondContact O-N 3.29Å; D76-A80 PolarHBondContact O-N 2.84Å; D76-T152 HydrophobicContact CB-CG2 3.87Å; D76-R156 HydrophobicContact CB-CG 4.2Å; D76-R156 IonicContact OD1-NE 3.62Å; D76-N159 PolarHBondContact OD2-ND2 3.19Å; D76-Y160 WeakPolarHBondContact CB-OH 3.49Å
77	R	91.4	Very high	90.9	Very high	93 Å²	93	52.5 Å²	52.5	35%	0.351	25%	0.245	S	C	.	.	H	α-helix	trans	-61.1	-49.2	174.3	-171.5	-175.3	-176.2	94.1	1	112.6	E73 H79 A80 E81 E149	E73-R77 WeakPolarHBondContact O-CB 3.48Å; E73-R77 PolarHBondContact O-N 2.95Å; R77-H79 PolarHBondContact O-N 3.49Å; R77-A80 WeakPolarHBondContact O-CB 3.31Å; R77-A80 PolarHBondContact O-N 2.74Å; R77-A80 VanDerWaalsContact O-N 3.08Å; R77-E81 IonicContact NE-OE1 2.73Å; R77-E81 PolarHBondContact NE-OE1 2.99Å; R77-E81 WeakPolarHBondContact O-CG 3.48Å; R77-E81 PolarHBondContact O-N 3.21Å; R77-E149 IonicContact CZ-OE1 3.25Å; R77-E149 IonicContact NH1-OE1 2.97Å; R77-E149 PolarHBondContact NH1-OE1 3.32Å; R77-E149 IonicContact NH2-OE1 3.22Å; R77-E149 PolarHBondContact NH2-OE1 3.48Å
78	E	89.3	Confident	91.1	Very high	67 Å²	67	52.7 Å²	52.7	31%	0.313	25%	0.247	S	C	.	.	H	α-helix	trans	-60.5	-38.2	177.8	-178.3	-177.4	-179.6	0	0	111	S74 L75 E81 K82 H273	S74-E78 WeakPolarHBondContact O-CB 3.09Å; S74-E78 PolarHBondContact O-N 2.71Å; L75-E78 PolarHBondContact O-N 3.31Å; E78-E81 PolarHBondContact O-N 3.29Å; E78-K82 WeakPolarHBondContact O-CB 3.28Å; E78-K82 PolarHBondContact O-N 3.34Å; E78-H273 IonicContact OE2-CE1 3.36Å; E78-H273 PolarHBondContact OE2-CE1 3.05Å
79	H	89.4	Confident	91.4	Very high	61 Å²	61	56.7 Å²	56.7	28%	0.282	27%	0.271	S	S	.	.	H	α-helix	trans	-62.3	-45.2	174.3	-178	69.5	0	0	0	111.5	L75 D76 R77 K82 Q83 R156	L75-H79 WeakPolarHBondContact O-CB 3.5Å; L75-H79 PolarHBondContact O-N 3.28Å; D76-H79 WeakPolarHBondContact O-CB 3.45Å; D76-H79 PolarHBondContact O-N 3.29Å; R77-H79 PolarHBondContact O-N 3.49Å; H79-K82 PolarHBondContact O-N 3.19Å; H79-Q83 WeakPolarHBondContact O-CG 3.25Å; H79-Q83 PolarHBondContact O-N 2.91Å; H79-R156 PolarHBondContact CD2-NH2 3.18Å; H79-R156 PolarHBondContact NE2-NH2 3.07Å
80	A	93.4	Very high	91.7	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-62.8	-44.7	176.7	0	0	0	0	0	112	D76 R77 K82 Q83 L84 L148 F151 T152 L155	D76-A80 PolarHBondContact O-N 2.84Å; R77-A80 WeakPolarHBondContact O-CB 3.31Å; R77-A80 PolarHBondContact O-N 2.74Å; R77-A80 VanDerWaalsContact O-N 3.08Å; A80-K82 VanDerWaalsContact C-N 3.27Å; A80-K82 PolarHBondContact O-N 3.21Å; A80-Q83 CarbonylContact O-C 3.53Å; A80-Q83 PolarHBondContact O-N 2.93Å; A80-Q83 VanDerWaalsContact O-N 3.1Å; A80-L84 WeakPolarHBondContact O-CB 3.44Å; A80-L84 PolarHBondContact O-N 3.2Å; A80-L148 HydrophobicContact CB-CD1 3.91Å; A80-F151 HydrophobicContact CB-CD1 4.39Å; A80-T152 HydrophobicContact CB-CG2 4.43Å; A80-T152 WeakPolarHBondContact CB-OG1 3.36Å; A80-L155 HydrophobicContact CB-CD1 4.02Å
81	E	93.8	Very high	92	Very high	86 Å²	86	62.5 Å²	62.5	40%	0.402	30%	0.299	S	S	.	.	H	α-helix	trans	-56.7	-42.5	174.8	-73.9	174.5	-178.3	0	0	111.4	R77 E78 L84 L148	R77-E81 IonicContact NE-OE1 2.73Å; R77-E81 PolarHBondContact NE-OE1 2.99Å; R77-E81 WeakPolarHBondContact O-CG 3.48Å; R77-E81 PolarHBondContact O-N 3.21Å; E78-E81 PolarHBondContact O-N 3.29Å; E81-L84 WeakPolarHBondContact O-CB 3.39Å; E81-L84 PolarHBondContact O-N 3.34Å; E81-L148 HydrophobicContact CB-CD1 4.31Å; E81-L148 HydrophobicContact CG-CD1 3.62Å; E81-L148 HydrophobicContact CG-CD2 3.48Å; E81-L148 VanDerWaalsContact CG-CD2 3.48Å; E81-L148 HydrophobicContact CG-CG 4.16Å
82	K	92	Very high	92.4	Very high	145 Å²	145	66.4 Å²	66.4	63%	0.63	32%	0.32	S	S	*	.	H	α-helix	trans	-66.1	-43.1	176.3	-174	-178.8	175.8	-170.7	0	111.7	E78 H79 A80 L84 T85	E78-K82 WeakPolarHBondContact O-CB 3.28Å; E78-K82 PolarHBondContact O-N 3.34Å; H79-K82 PolarHBondContact O-N 3.19Å; A80-K82 VanDerWaalsContact C-N 3.27Å; A80-K82 PolarHBondContact O-N 3.21Å; K82-L84 VanDerWaalsContact C-N 3.31Å; K82-T85 PolarHBondContact O-N 2.98Å; K82-T85 PolarHBondContact O-OG1 3.08Å
83	Q	93.3	Very high	92.8	Very high	41 Å²	41	67.1 Å²	67.1	19%	0.192	33%	0.334	C	S	.	.	H	α-helix	trans	-66.2	-35.5	176.7	-69.7	-50.9	-51.8	0	0	111.7	H79 A80 T85 R86 F87 F151 L155	H79-Q83 WeakPolarHBondContact O-CG 3.25Å; H79-Q83 PolarHBondContact O-N 2.91Å; A80-Q83 CarbonylContact O-C 3.53Å; A80-Q83 PolarHBondContact O-N 2.93Å; A80-Q83 VanDerWaalsContact O-N 3.1Å; Q83-T85 PolarHBondContact O-N 3.47Å; Q83-R86 WeakPolarHBondContact O-CA 3.31Å; Q83-R86 WeakPolarHBondContact O-CB 3.3Å; Q83-R86 PolarHBondContact O-N 3.22Å; Q83-F87 HydrophobicContact CB-CD2 4.17Å; Q83-F87 HydrophobicContact CB-CE2 4.45Å; Q83-F87 WeakPolarHBondContact O-CD2 3.38Å; Q83-F87 PolarHBondContact O-N 3.22Å; Q83-F151 HydrophobicContact CB-CE1 3.63Å; Q83-F151 HydrophobicContact CB-CZ 4.13Å; Q83-L155 HydrophobicContact CB-CD1 3.88Å; Q83-L155 HydrophobicContact CG-CD1 3.88Å
84	L	94.3	Very high	93.2	Very high	26 Å²	26	65.8 Å²	65.8	14%	0.136	33%	0.327	C	S	.	.	H	α-helix	trans	-54.6	-40.1	178.6	-168.9	67.5	0	0	0	110.8	A80 E81 K82 R86 F87 D88 V95 L148 F151	A80-L84 WeakPolarHBondContact O-CB 3.44Å; A80-L84 PolarHBondContact O-N 3.2Å; E81-L84 WeakPolarHBondContact O-CB 3.39Å; E81-L84 PolarHBondContact O-N 3.34Å; K82-L84 VanDerWaalsContact C-N 3.31Å; L84-R86 PolarHBondContact O-N 2.98Å; L84-F87 PolarHBondContact O-N 3.47Å; L84-D88 HydrophobicContact CD1-CB 3.93Å; L84-D88 HydrophobicContact CG-CB 4.09Å; L84-D88 VanDerWaalsContact O-CB 3.27Å; L84-D88 WeakPolarHBondContact O-CB 3.11Å; L84-D88 PolarHBondContact O-N 3.48Å; L84-V95 HydrophobicContact CD1-CG2 3.44Å; L84-V95 VanDerWaalsContact CD1-CG2 3.44Å; L84-L148 HydrophobicContact CD2-CD1 4.36Å; L84-F151 HydrophobicContact CD1-CD1 4.36Å
85	T	93.4	Very high	93.8	Very high	119 Å²	119	65.1 Å²	65.1	73%	0.73	32%	0.323	S	S	*	.	H	α-helix	trans	-60.8	-20.3	177.1	69.7	0	0	0	0	115.4	K82 Q83	K82-T85 PolarHBondContact O-N 2.98Å; K82-T85 PolarHBondContact O-OG1 3.08Å; Q83-T85 PolarHBondContact O-N 3.47Å
86	R	94	Very high	94.3	Very high	100 Å²	100	63.5 Å²	63.5	38%	0.377	32%	0.316	S	S	.	.	H	α-helix	trans	-93.1	-43.7	175.4	176	-176	171.3	-171.8	-2.9	111.2	Q83 L84 Q103	Q83-R86 WeakPolarHBondContact O-CA 3.31Å; Q83-R86 WeakPolarHBondContact O-CB 3.3Å; Q83-R86 PolarHBondContact O-N 3.22Å; L84-R86 PolarHBondContact O-N 2.98Å; R86-Q103 PolarHBondContact NH2-O 2.9Å
87	F	95.2	Very high	94.6	Very high	13 Å²	13	63.5 Å²	63.5	6%	0.057	32%	0.315	C	S	.	.	H	α-helix	trans	-84.2	-37	-171	-76.9	-78.7	0	0	0	113.5	Q83 L84 V89 V95 E99 Y100 Q103 T104 F151	Q83-F87 HydrophobicContact CB-CD2 4.17Å; Q83-F87 HydrophobicContact CB-CE2 4.45Å; Q83-F87 WeakPolarHBondContact O-CD2 3.38Å; Q83-F87 PolarHBondContact O-N 3.22Å; L84-F87 PolarHBondContact O-N 3.47Å; F87-V89 PolarHBondContact O-N 2.91Å; F87-V95 HydrophobicContact CB-CG1 4.01Å; F87-V95 HydrophobicContact CB-CG2 3.91Å; F87-E99 WeakPolarHBondContact O-CB 3.48Å; F87-Y100 HydrophobicContact CD1-CD2 4.02Å; F87-Y100 AromaticContact CE1-CD2 3.66Å; F87-Y100 HydrophobicContact CE1-CD2 3.66Å; F87-Y100 HydrophobicContact CE1-CE2 4.09Å; F87-Y100 HydrophobicContact CZ-CD2 4.29Å; F87-Y100 HydrophobicContact CZ-CE2 4.34Å; F87-Q103 HydrophobicContact CD1-CB 3.53Å; F87-Q103 HydrophobicContact CD1-CG 4.16Å; F87-Q103 HydrophobicContact CE1-CB 3.6Å; F87-Q103 HydrophobicContact CG-CB 4.46Å; F87-T104 WeakPolarHBondContact CE1-OG1 3.44Å; F87-F151 HydrophobicContact CB-CZ 4.17Å; F87-F151 HydrophobicContact CD2-CE1 4.38Å; F87-F151 AromaticContact CD2-CZ 3.74Å; F87-F151 HydrophobicContact CD2-CZ 3.74Å; F87-F151 HydrophobicContact CE2-CZ 4.37Å; F87-F151 HydrophobicContact CG-CZ 4.04Å
88	D	97	Very high	94.8	Very high	18 Å²	18	63.4 Å²	63.4	10%	0.096	32%	0.318	C	S	.	.			trans	-77.5	85	176.2	178	9.3	0	0	0	110.1	L84 N90 K91 D92 G93 K94	L84-D88 HydrophobicContact CD1-CB 3.93Å; L84-D88 HydrophobicContact CG-CB 4.09Å; L84-D88 VanDerWaalsContact O-CB 3.27Å; L84-D88 WeakPolarHBondContact O-CB 3.11Å; L84-D88 PolarHBondContact O-N 3.48Å; D88-N90 PolarHBondContact OD1-OD1 3.24Å; D88-N90 VanDerWaalsContact OD1-OD1 3.07Å; D88-K91 WeakPolarHBondContact OD1-CA 3.44Å; D88-K91 PolarHBondContact OD1-N 2.71Å; D88-K91 WeakPolarHBondContact OD2-CA 3.31Å; D88-D92 PolarHBondContact OD1-N 2.76Å; D88-D92 PolarHBondContact OD2-N 3.18Å; D88-G93 VanDerWaalsContact OD2-CA 3.23Å; D88-G93 WeakPolarHBondContact OD2-CA 3.34Å; D88-G93 PolarHBondContact OD2-N 3.06Å; D88-K94 WeakPolarHBondContact CB-O 3.23Å; D88-K94 VanDerWaalsContact CG-O 3.28Å
89	V	96	Very high	95.2	Very high	84 Å²	84	61 Å²	61	51%	0.509	31%	0.308	S	S	.	.	S	Bend	trans	-74	-40.1	-176.8	176.9	0	0	0	0	110.2	F87 K91 E99 Q103	F87-V89 PolarHBondContact O-N 2.91Å; V89-K91 VanDerWaalsContact C-N 3.28Å; V89-K91 PolarHBondContact O-N 3.32Å; V89-E99 HydrophobicContact CB-CG 4.36Å; V89-E99 HydrophobicContact CG2-CG 4.46Å; V89-E99 PolarHBondContact N-OE1 3.2Å; V89-Q103 HydrophobicContact CG2-CG 4.06Å
90	N	96.7	Very high	95.5	Very high	93 Å²	93	58.9 Å²	58.9	50%	0.497	30%	0.297	S	S	.	.	S	Bend	trans	-78	-14.9	-176.4	79	19.3	0	0	0	112.9	D88 D92 E99	D88-N90 PolarHBondContact OD1-OD1 3.24Å; D88-N90 VanDerWaalsContact OD1-OD1 3.07Å; N90-D92 PolarHBondContact ND2-OD2 3.24Å; N90-D92 WeakPolarHBondContact OD1-CB 3.44Å; N90-D92 PolarHBondContact OD1-N 3.01Å; N90-D92 PolarHBondContact OD1-OD1 2.85Å; N90-D92 PolarHBondContact OD1-OD2 2.79Å; N90-E99 VanDerWaalsContact CG-OE1 3.27Å; N90-E99 PolarHBondContact N-OE1 3.06Å; N90-E99 PolarHBondContact ND2-OE1 2.79Å
91	K	95.6	Very high	95.4	Very high	179 Å²	179	58.9 Å²	58.9	78%	0.778	30%	0.297	S	S	*	.			trans	65.2	35.3	179.8	-55.9	-176.7	-179.7	-179.3	0	114.3	D88 V89 G93	D88-K91 WeakPolarHBondContact OD1-CA 3.44Å; D88-K91 PolarHBondContact OD1-N 2.71Å; D88-K91 WeakPolarHBondContact OD2-CA 3.31Å; V89-K91 VanDerWaalsContact C-N 3.28Å; V89-K91 PolarHBondContact O-N 3.32Å; K91-G93 VanDerWaalsContact C-N 3.28Å
92	D	96.6	Very high	95.4	Very high	82 Å²	82	57.1 Å²	57.1	44%	0.439	29%	0.294	S	S	.	.	S	Bend	trans	-84.8	-4.1	174.6	70.8	17.4	0	0	0	113.2	D88 N90 K94	D88-D92 PolarHBondContact OD1-N 2.76Å; D88-D92 PolarHBondContact OD2-N 3.18Å; N90-D92 PolarHBondContact ND2-OD2 3.24Å; N90-D92 WeakPolarHBondContact OD1-CB 3.44Å; N90-D92 PolarHBondContact OD1-N 3.01Å; N90-D92 PolarHBondContact OD1-OD1 2.85Å; N90-D92 PolarHBondContact OD1-OD2 2.79Å; D92-K94 WeakPolarHBondContact OD1-CA 3.5Å; D92-K94 WeakPolarHBondContact OD1-CB 3.23Å; D92-K94 PolarHBondContact OD1-N 3.26Å
93	G	96.1	Very high	95.4	Very high	36 Å²	36	53 Å²	53	37%	0.371	28%	0.277	S	S	.	.	S	Bend	trans	86.8	5.6	-179.7	0	0	0	0	0	113.8	D88 K91	D88-G93 VanDerWaalsContact OD2-CA 3.23Å; D88-G93 WeakPolarHBondContact OD2-CA 3.34Å; D88-G93 PolarHBondContact OD2-N 3.06Å; K91-G93 VanDerWaalsContact C-N 3.28Å
94	K	97.9	Very high	95.4	Very high	50 Å²	50	53.5 Å²	53.5	22%	0.217	28%	0.283	C	S	.	.	S	Bend	trans	-128.4	171.5	178.1	-57.7	-165.4	171.5	-154.8	0	110.8	D88 D92 D143 L145 L146	D88-K94 WeakPolarHBondContact CB-O 3.23Å; D88-K94 VanDerWaalsContact CG-O 3.28Å; D92-K94 WeakPolarHBondContact OD1-CA 3.5Å; D92-K94 WeakPolarHBondContact OD1-CB 3.23Å; D92-K94 PolarHBondContact OD1-N 3.26Å; K94-D143 IonicContact NZ-OD1 3.7Å; K94-D143 IonicContact NZ-OD2 3.59Å; K94-D143 PolarHBondContact NZ-OD2 3.25Å; K94-L145 HydrophobicContact CB-CB 3.93Å; K94-L145 HydrophobicContact CD-CB 3.56Å; K94-L145 HydrophobicContact CD-CD1 4Å; K94-L145 HydrophobicContact CD-CG 4.44Å; K94-L145 HydrophobicContact CG-CB 4.42Å; K94-L146 CarbonylContact C-O 3.47Å; K94-L146 VanDerWaalsContact CA-O 3.23Å; K94-L146 WeakPolarHBondContact CA-O 3.3Å; K94-L146 WeakPolarHBondContact CB-O 3.45Å
95	V	98	Very high	95.2	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	115.7	174.9	-176.8	0	0	0	0	109.8	L84 F87 E99 L146 F151	L84-V95 HydrophobicContact CD1-CG2 3.44Å; L84-V95 VanDerWaalsContact CD1-CG2 3.44Å; F87-V95 HydrophobicContact CB-CG1 4.01Å; F87-V95 HydrophobicContact CB-CG2 3.91Å; V95-E99 HydrophobicContact CG1-CB 4.43Å; V95-L146 HydrophobicContact CB-CB 4.49Å; V95-L146 PolarHBondContact N-O 3.27Å; V95-L146 PolarHBondContact O-N 3.49Å; V95-F151 HydrophobicContact CB-CD2 4.41Å; V95-F151 HydrophobicContact CB-CE2 4.5Å; V95-F151 HydrophobicContact CG1-CE2 4.43Å; V95-F151 HydrophobicContact CG2-CD1 4.25Å; V95-F151 HydrophobicContact CG2-CD2 4.19Å; V95-F151 HydrophobicContact CG2-CE1 4.23Å; V95-F151 HydrophobicContact CG2-CE2 4.2Å; V95-F151 HydrophobicContact CG2-CG 4.23Å; V95-F151 HydrophobicContact CG2-CZ 4.22Å
96	S	97.7	Very high	95.1	Very high	23 Å²	23	57.4 Å²	57.4	16%	0.161	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	157.1	168.2	67	0	0	0	0	111.8	E98 E99 Y100	S96-E98 PolarHBondContact O-N 3Å; S96-E99 WeakPolarHBondContact CB-OE2 2.82Å; S96-E99 PolarHBondContact N-OE2 2.89Å; S96-E99 PolarHBondContact O-N 2.83Å; S96-E99 WeakPolarHBondContact OG-CB 3.4Å; S96-E99 VanDerWaalsContact OG-CD 3.32Å; S96-E99 VanDerWaalsContact OG-CG 3.25Å; S96-E99 WeakPolarHBondContact OG-CG 3.27Å; S96-E99 PolarHBondContact OG-N 2.85Å; S96-E99 PolarHBondContact OG-OE2 3.18Å; S96-Y100 PolarHBondContact O-N 3.49Å
97	F	96.4	Very high	94.9	Very high	18 Å²	18	54 Å²	54	8%	0.079	28%	0.281	C	S	.	.	H	α-helix	trans	-61.9	-34.1	176.3	-163.3	-113.2	0	0	0	112.5	Y100 I101 L128 E131 R132 F135	F97-Y100 HydrophobicContact CE2-CD1 4.36Å; F97-Y100 PolarHBondContact O-N 3.45Å; F97-I101 HydrophobicContact CD1-CD1 3.58Å; F97-I101 HydrophobicContact CD1-CG1 4.19Å; F97-I101 HydrophobicContact CE1-CD1 3.39Å; F97-I101 HydrophobicContact CE1-CG1 4.03Å; F97-I101 HydrophobicContact CZ-CD1 4.17Å; F97-I101 HydrophobicContact CZ-CG1 4.39Å; F97-I101 WeakPolarHBondContact O-CG1 3.34Å; F97-I101 PolarHBondContact O-N 2.77Å; F97-L128 HydrophobicContact CZ-CD2 4.49Å; F97-E131 HydrophobicContact CE2-CB 4.42Å; F97-E131 HydrophobicContact CZ-CB 4.43Å; F97-R132 VanDerWaalsContact CD1-NH1 3.34Å; F97-R132 HydrophobicContact CE1-CB 4.2Å; F97-R132 HydrophobicContact CE1-CG 4.46Å; F97-R132 VanDerWaalsContact CE1-NH2 3.31Å; F97-R132 HydrophobicContact CE2-CB 4.22Å; F97-R132 HydrophobicContact CZ-CB 3.68Å; F97-R132 HydrophobicContact CZ-CG 4.31Å; F97-F135 HydrophobicContact CB-CD2 4.34Å; F97-F135 HydrophobicContact CB-CE2 4.05Å; F97-F135 HydrophobicContact CB-CZ 4.17Å; F97-F135 HydrophobicContact CD2-CB 3.89Å; F97-F135 HydrophobicContact CD2-CD1 4.43Å; F97-F135 AromaticContact CD2-CD2 3.48Å; F97-F135 HydrophobicContact CD2-CD2 3.48Å; F97-F135 VanDerWaalsContact CD2-CD2 3.48Å; F97-F135 HydrophobicContact CD2-CE2 4.02Å; F97-F135 AromaticContact CD2-CG 3.68Å; F97-F135 HydrophobicContact CD2-CG 3.68Å; F97-F135 HydrophobicContact CE2-CB 3.98Å; F97-F135 HydrophobicContact CE2-CD2 4.27Å; F97-F135 HydrophobicContact CE2-CG 4.29Å; F97-F135 HydrophobicContact CG-CD2 4.39Å
98	E	95.9	Very high	94.7	Very high	90 Å²	90	54.5 Å²	54.5	42%	0.421	29%	0.286	S	S	.	.	H	α-helix	trans	-65.9	-42.6	176.7	-175.2	61.9	-158.8	0	0	111.5	S96 Y100 I101 S102 S108	S96-E98 PolarHBondContact O-N 3Å; E98-Y100 VanDerWaalsContact C-N 3.34Å; E98-Y100 PolarHBondContact O-N 2.73Å; E98-I101 PolarHBondContact O-N 3.1Å; E98-S102 VanDerWaalsContact O-CB 3.25Å; E98-S102 WeakPolarHBondContact O-CB 3.23Å; E98-S102 PolarHBondContact O-N 2.93Å; E98-S108 WeakPolarHBondContact OE1-CB 3.46Å
99	E	96.5	Very high	94.2	Very high	18 Å²	18	55 Å²	55	8%	0.084	29%	0.288	C	S	.	.	H	α-helix	trans	-61.6	-42.8	174	-79.1	167.1	139.4	0	0	112	F87 V89 N90 V95 S96 S102 Q103	F87-E99 WeakPolarHBondContact O-CB 3.48Å; V89-E99 HydrophobicContact CB-CG 4.36Å; V89-E99 HydrophobicContact CG2-CG 4.46Å; V89-E99 PolarHBondContact N-OE1 3.2Å; N90-E99 VanDerWaalsContact CG-OE1 3.27Å; N90-E99 PolarHBondContact N-OE1 3.06Å; N90-E99 PolarHBondContact ND2-OE1 2.79Å; V95-E99 HydrophobicContact CG1-CB 4.43Å; S96-E99 WeakPolarHBondContact CB-OE2 2.82Å; S96-E99 PolarHBondContact N-OE2 2.89Å; S96-E99 PolarHBondContact O-N 2.83Å; S96-E99 WeakPolarHBondContact OG-CB 3.4Å; S96-E99 VanDerWaalsContact OG-CD 3.32Å; S96-E99 VanDerWaalsContact OG-CG 3.25Å; S96-E99 WeakPolarHBondContact OG-CG 3.27Å; S96-E99 PolarHBondContact OG-N 2.85Å; S96-E99 PolarHBondContact OG-OE2 3.18Å; E99-S102 PolarHBondContact O-N 3.32Å; E99-Q103 WeakPolarHBondContact O-CB 3.27Å; E99-Q103 WeakPolarHBondContact O-CG 3.43Å; E99-Q103 PolarHBondContact O-N 3.29Å
100	Y	95.1	Very high	94	Very high	16 Å²	16	57.4 Å²	57.4	6%	0.063	29%	0.294	C	S	.	.	H	α-helix	trans	-59	-49.1	175.4	175.4	-99.1	0	0	0	112.3	F87 S96 F97 E98 Q103 T104 E131 R134 F154	F87-Y100 HydrophobicContact CD1-CD2 4.02Å; F87-Y100 AromaticContact CE1-CD2 3.66Å; F87-Y100 HydrophobicContact CE1-CD2 3.66Å; F87-Y100 HydrophobicContact CE1-CE2 4.09Å; F87-Y100 HydrophobicContact CZ-CD2 4.29Å; F87-Y100 HydrophobicContact CZ-CE2 4.34Å; S96-Y100 PolarHBondContact O-N 3.49Å; F97-Y100 HydrophobicContact CE2-CD1 4.36Å; F97-Y100 PolarHBondContact O-N 3.45Å; E98-Y100 VanDerWaalsContact C-N 3.34Å; E98-Y100 PolarHBondContact O-N 2.73Å; Y100-Q103 PolarHBondContact O-N 2.84Å; Y100-T104 VanDerWaalsContact O-CB 3.25Å; Y100-T104 WeakPolarHBondContact O-CB 3.41Å; Y100-T104 PolarHBondContact O-N 3.33Å; Y100-T104 PolarHBondContact O-OG1 3.49Å; Y100-E131 HydrophobicContact CE1-CB 4.39Å; Y100-E131 WeakPolarHBondContact CE1-OE2 3.1Å; Y100-E131 PolarHBondContact OH-OE1 3.05Å; Y100-R134 PolarHBondContact OH-NH2 3.4Å; Y100-F154 HydrophobicContact CD1-CZ 4.28Å; Y100-F154 AromaticContact CD2-CE1 3.82Å; Y100-F154 HydrophobicContact CD2-CE1 3.82Å; Y100-F154 HydrophobicContact CD2-CZ 4.13Å; Y100-F154 HydrophobicContact CE1-CE1 4.49Å; Y100-F154 AromaticContact CE1-CZ 3.99Å; Y100-F154 HydrophobicContact CE1-CZ 3.99Å; Y100-F154 AromaticContact CE2-CE1 3.49Å; Y100-F154 HydrophobicContact CE2-CE1 3.49Å; Y100-F154 VanDerWaalsContact CE2-CE1 3.49Å; Y100-F154 AromaticContact CE2-CZ 3.82Å; Y100-F154 HydrophobicContact CE2-CZ 3.82Å; Y100-F154 HydrophobicContact CG-CE1 4.45Å; Y100-F154 HydrophobicContact CG-CZ 4.35Å; Y100-F154 AromaticContact CZ-CE1 3.87Å; Y100-F154 AromaticContact CZ-CZ 3.75Å
101	I	92.1	Very high	93.7	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-61.6	-49.7	178.1	-67.7	176.3	0	0	0	110.2	F97 E98 Q103 T104 Y105 T107 E109 L128	F97-I101 HydrophobicContact CD1-CD1 3.58Å; F97-I101 HydrophobicContact CD1-CG1 4.19Å; F97-I101 HydrophobicContact CE1-CD1 3.39Å; F97-I101 HydrophobicContact CE1-CG1 4.03Å; F97-I101 HydrophobicContact CZ-CD1 4.17Å; F97-I101 HydrophobicContact CZ-CG1 4.39Å; F97-I101 WeakPolarHBondContact O-CG1 3.34Å; F97-I101 PolarHBondContact O-N 2.77Å; E98-I101 PolarHBondContact O-N 3.1Å; I101-Q103 VanDerWaalsContact C-N 3.29Å; I101-Q103 PolarHBondContact O-N 3.08Å; I101-T104 PolarHBondContact O-N 3.3Å; I101-Y105 HydrophobicContact CG2-CD2 4.1Å; I101-Y105 PolarHBondContact O-N 2.94Å; I101-T107 WeakPolarHBondContact CG2-O 3.5Å; I101-E109 HydrophobicContact CD1-CB 4.02Å; I101-L128 HydrophobicContact CD1-CD1 3.86Å; I101-L128 HydrophobicContact CD1-CD2 3.87Å; I101-L128 HydrophobicContact CG1-CD1 4.5Å; I101-L128 HydrophobicContact CG1-CD2 3.73Å
102	S	93.4	Very high	93.4	Very high	49 Å²	49	49.7 Å²	49.7	34%	0.343	26%	0.258	S	S	.	.	H	α-helix	trans	-58	-42.5	-177.3	-176.7	0	0	0	0	111.9	E98 E99 E106 T107	E98-S102 VanDerWaalsContact O-CB 3.25Å; E98-S102 WeakPolarHBondContact O-CB 3.23Å; E98-S102 PolarHBondContact O-N 2.93Å; E99-S102 PolarHBondContact O-N 3.32Å; S102-E106 WeakPolarHBondContact O-CA 3.43Å; S102-E106 PolarHBondContact O-N 3.42Å; S102-T107 WeakPolarHBondContact CA-O 3.37Å
103	Q	93.5	Very high	93	Very high	59 Å²	59	51.9 Å²	51.9	28%	0.276	26%	0.26	S	S	.	.	H	α-helix	trans	-79.5	-22.3	-179.4	-68.4	-60.3	-45.5	0	0	114.4	R86 F87 V89 E99 Y100 I101	R86-Q103 PolarHBondContact NH2-O 2.9Å; F87-Q103 HydrophobicContact CD1-CB 3.53Å; F87-Q103 HydrophobicContact CD1-CG 4.16Å; F87-Q103 HydrophobicContact CE1-CB 3.6Å; F87-Q103 HydrophobicContact CG-CB 4.46Å; V89-Q103 HydrophobicContact CG2-CG 4.06Å; E99-Q103 WeakPolarHBondContact O-CB 3.27Å; E99-Q103 WeakPolarHBondContact O-CG 3.43Å; E99-Q103 PolarHBondContact O-N 3.29Å; Y100-Q103 PolarHBondContact O-N 2.84Å; I101-Q103 VanDerWaalsContact C-N 3.29Å; I101-Q103 PolarHBondContact O-N 3.08Å
104	T	92.2	Very high	92.6	Very high	51 Å²	51	57 Å²	57	31%	0.313	27%	0.274	S	S	.	.	H	α-helix	trans	-89.2	-43.9	-179.9	-56.2	0	0	0	0	111.7	F87 Y100 I101	F87-T104 WeakPolarHBondContact CE1-OG1 3.44Å; Y100-T104 VanDerWaalsContact O-CB 3.25Å; Y100-T104 WeakPolarHBondContact O-CB 3.41Å; Y100-T104 PolarHBondContact O-N 3.33Å; Y100-T104 PolarHBondContact O-OG1 3.49Å; I101-T104 PolarHBondContact O-N 3.3Å
105	Y	90.3	Very high	92	Very high	41 Å²	41	57.3 Å²	57.3	16%	0.161	28%	0.282	C	S	.	.	H	α-helix	trans	-112.3	-0.7	-171.1	-59.2	-69.5	0	0	0	114	I101 T107 I124 L128 E131	I101-Y105 HydrophobicContact CG2-CD2 4.1Å; I101-Y105 PolarHBondContact O-N 2.94Å; Y105-T107 PolarHBondContact O-N 2.94Å; Y105-T107 VanDerWaalsContact O-N 3.15Å; Y105-I124 HydrophobicContact CD1-CD1 4.36Å; Y105-I124 HydrophobicContact CD1-CG1 4.28Å; Y105-I124 HydrophobicContact CD1-CG2 3.89Å; Y105-I124 HydrophobicContact CD2-CG2 4.17Å; Y105-I124 HydrophobicContact CE1-CG2 4.09Å; Y105-I124 HydrophobicContact CE2-CG2 4.34Å; Y105-I124 HydrophobicContact CG-CG2 3.93Å; Y105-L128 HydrophobicContact CD2-CD2 4.13Å; Y105-L128 HydrophobicContact CE2-CD2 3.58Å; Y105-E131 VanDerWaalsContact CE2-OE2 3.32Å; Y105-E131 WeakPolarHBondContact CE2-OE2 3.43Å; Y105-E131 PolarHBondContact OH-OE1 2.75Å; Y105-E131 VanDerWaalsContact OH-OE1 3.13Å; Y105-E131 PolarHBondContact OH-OE2 3.2Å
106	E	90.4	Very high	90.8	Very high	185 Å²	185	63.3 Å²	63.3	86%	0.864	31%	0.308	S	S	*	.	S	Bend	trans	54.7	30.6	-178.7	-58.5	-178.3	-160.9	0	0	113.1	S102	S102-E106 WeakPolarHBondContact O-CA 3.43Å; S102-E106 PolarHBondContact O-N 3.42Å
107	T	89.5	Confident	90.1	Very high	29 Å²	29	70.4 Å²	70.4	18%	0.178	34%	0.344	C	S	.	.	S	Bend	trans	-151.4	168.1	-179.7	-170.1	0	0	0	0	110.4	I101 S102 Y105 E111 L112	I101-T107 WeakPolarHBondContact CG2-O 3.5Å; S102-T107 WeakPolarHBondContact CA-O 3.37Å; Y105-T107 PolarHBondContact O-N 2.94Å; Y105-T107 VanDerWaalsContact O-N 3.15Å; T107-E111 PolarHBondContact OG1-OE2 2.97Å; T107-L112 HydrophobicContact CG2-CD1 3.82Å; T107-L112 HydrophobicContact CG2-CD2 3.89Å; T107-L112 HydrophobicContact CG2-CG 3.69Å
108	S	91.1	Very high	89.7	Confident	23 Å²	23	73.1 Å²	73.1	16%	0.161	36%	0.36	C	S	.	.			trans	-97	158.2	171.8	61.7	0	0	0	0	112.1	E98 E110 E111 L112	E98-S108 WeakPolarHBondContact OE1-CB 3.46Å; S108-E110 PolarHBondContact O-N 3.26Å; S108-E111 PolarHBondContact N-OE2 2.92Å; S108-E111 PolarHBondContact O-N 3.41Å; S108-E111 WeakPolarHBondContact OG-CB 3.49Å; S108-E111 WeakPolarHBondContact OG-CG 3.41Å; S108-E111 PolarHBondContact OG-N 3.36Å; S108-E111 VanDerWaalsContact OG-N 3.17Å; S108-E111 PolarHBondContact OG-OE2 2.97Å; S108-L112 WeakPolarHBondContact O-CG 3.43Å; S108-L112 PolarHBondContact O-N 3.05Å; S108-L112 VanDerWaalsContact O-N 3.17Å
109	E	88.3	Confident	89.3	Confident	28 Å²	28	77.5 Å²	77.5	13%	0.131	38%	0.377	C	S	.	.	H	α-helix	trans	-62.2	-32.5	173.2	-167.5	179.2	172.8	0	0	111.9	I101 L112 R113 L128 R132	I101-E109 HydrophobicContact CD1-CB 4.02Å; E109-L112 PolarHBondContact O-N 3.45Å; E109-R113 WeakPolarHBondContact O-CB 3.4Å; E109-R113 VanDerWaalsContact O-CG 3.26Å; E109-R113 WeakPolarHBondContact O-CG 3.32Å; E109-R113 PolarHBondContact O-N 2.73Å; E109-R113 IonicContact OE1-CZ 3.1Å; E109-R113 VanDerWaalsContact OE1-CZ 3.31Å; E109-R113 IonicContact OE1-NE 2.73Å; E109-R113 PolarHBondContact OE1-NE 3.04Å; E109-R113 VanDerWaalsContact OE1-NE 3.1Å; E109-R113 IonicContact OE1-NH2 2.85Å; E109-R113 PolarHBondContact OE1-NH2 3.06Å; E109-L128 HydrophobicContact CG-CD1 4.26Å; E109-R132 IonicContact OE1-NH2 2.77Å; E109-R132 PolarHBondContact OE1-NH2 2.95Å; E109-R132 IonicContact OE2-CZ 3.31Å; E109-R132 IonicContact OE2-NH2 2.68Å; E109-R132 PolarHBondContact OE2-NH2 3.06Å
110	E	90.5	Very high	88.8	Confident	136 Å²	136	80.2 Å²	80.2	64%	0.636	40%	0.398	S	S	*	.	H	α-helix	trans	-64.6	-45.7	177.5	-172.6	168.5	-171	0	0	111.6	S108 L112 R113 H114	S108-E110 PolarHBondContact O-N 3.26Å; E110-L112 PolarHBondContact O-N 2.99Å; E110-R113 PolarHBondContact O-N 3.01Å; E110-H114 VanDerWaalsContact CG-CE1 3.47Å; E110-H114 WeakPolarHBondContact CG-CE1 3.48Å; E110-H114 PolarHBondContact O-N 2.98Å; E110-H114 PolarHBondContact O-ND1 3.34Å; E110-H114 IonicContact OE1-CE1 2.62Å
111	E	90.3	Very high	88.5	Confident	107 Å²	107	80.2 Å²	80.2	50%	0.5	40%	0.4	S	S	.	.	H	α-helix	trans	-61.7	-42.6	176.4	-75	168.1	154.5	0	0	112.2	T107 S108 R113 H114 S115	T107-E111 PolarHBondContact OG1-OE2 2.97Å; S108-E111 PolarHBondContact N-OE2 2.92Å; S108-E111 PolarHBondContact O-N 3.41Å; S108-E111 WeakPolarHBondContact OG-CB 3.49Å; S108-E111 WeakPolarHBondContact OG-CG 3.41Å; S108-E111 PolarHBondContact OG-N 3.36Å; S108-E111 VanDerWaalsContact OG-N 3.17Å; S108-E111 PolarHBondContact OG-OE2 2.97Å; E111-R113 VanDerWaalsContact C-N 3.28Å; E111-R113 PolarHBondContact O-N 3Å; E111-H114 PolarHBondContact O-N 2.88Å; E111-S115 PolarHBondContact O-N 3.01Å; E111-S115 VanDerWaalsContact O-N 3.1Å; E111-S115 PolarHBondContact O-OG 3.3Å
112	L	88.8	Confident	88.3	Confident	3 Å²	3	86.9 Å²	86.9	2%	0.016	43%	0.43	C	S	.	.	H	α-helix	trans	-59	-40.9	174.6	-71.7	170	0	0	0	111.5	T107 S108 E109 E110 S115 I124 L125 L128	T107-L112 HydrophobicContact CG2-CD1 3.82Å; T107-L112 HydrophobicContact CG2-CD2 3.89Å; T107-L112 HydrophobicContact CG2-CG 3.69Å; S108-L112 WeakPolarHBondContact O-CG 3.43Å; S108-L112 PolarHBondContact O-N 3.05Å; S108-L112 VanDerWaalsContact O-N 3.17Å; E109-L112 PolarHBondContact O-N 3.45Å; E110-L112 PolarHBondContact O-N 2.99Å; L112-S115 PolarHBondContact O-N 3.29Å; L112-I124 HydrophobicContact CD1-CB 4.37Å; L112-I124 HydrophobicContact CD1-CG2 3.58Å; L112-I124 HydrophobicContact CD2-CB 4.01Å; L112-I124 HydrophobicContact CD2-CD1 4.02Å; L112-I124 HydrophobicContact CD2-CG2 4.04Å; L112-I124 HydrophobicContact CG-CG2 4.5Å; L112-L125 HydrophobicContact CB-CD1 4.48Å; L112-L125 HydrophobicContact CB-CD2 3.9Å; L112-L125 HydrophobicContact CB-CG 4.02Å; L112-L128 HydrophobicContact CD1-CD1 3.79Å
113	R	88	Confident	87.9	Confident	128 Å²	128	90.2 Å²	90.2	48%	0.483	44%	0.438	S	S	.	.	H	α-helix	trans	-71.6	-27	178.4	-74.2	172.9	-179.6	-82	-3.5	113.6	E109 E110 E111 S115 K116 L125	E109-R113 WeakPolarHBondContact O-CB 3.4Å; E109-R113 VanDerWaalsContact O-CG 3.26Å; E109-R113 WeakPolarHBondContact O-CG 3.32Å; E109-R113 PolarHBondContact O-N 2.73Å; E109-R113 IonicContact OE1-CZ 3.1Å; E109-R113 VanDerWaalsContact OE1-CZ 3.31Å; E109-R113 IonicContact OE1-NE 2.73Å; E109-R113 PolarHBondContact OE1-NE 3.04Å; E109-R113 VanDerWaalsContact OE1-NE 3.1Å; E109-R113 IonicContact OE1-NH2 2.85Å; E109-R113 PolarHBondContact OE1-NH2 3.06Å; E110-R113 PolarHBondContact O-N 3.01Å; E111-R113 VanDerWaalsContact C-N 3.28Å; E111-R113 PolarHBondContact O-N 3Å; R113-S115 VanDerWaalsContact C-N 3.35Å; R113-K116 WeakPolarHBondContact O-CE 3.46Å; R113-K116 WeakPolarHBondContact O-CG 3.34Å; R113-L125 HydrophobicContact CG-CD2 4.06Å
114	H	88.4	Confident	87.6	Confident	144 Å²	144	88.9 Å²	88.9	67%	0.667	43%	0.432	S	S	*	.	H	α-helix	trans	-78.2	-23.9	174.1	-74.7	93.1	0	0	0	112.3	E110 E111	E110-H114 VanDerWaalsContact CG-CE1 3.47Å; E110-H114 WeakPolarHBondContact CG-CE1 3.48Å; E110-H114 PolarHBondContact O-N 2.98Å; E110-H114 PolarHBondContact O-ND1 3.34Å; E110-H114 IonicContact OE1-CE1 2.62Å; E111-H114 PolarHBondContact O-N 2.88Å
115	S	85.2	Confident	87.4	Confident	56 Å²	56	88 Å²	88	39%	0.392	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	36.7	-178	-54	0	0	0	0	113.1	E111 L112 R113 D117 D118 S121	E111-S115 PolarHBondContact O-N 3.01Å; E111-S115 VanDerWaalsContact O-N 3.1Å; E111-S115 PolarHBondContact O-OG 3.3Å; L112-S115 PolarHBondContact O-N 3.29Å; R113-S115 VanDerWaalsContact C-N 3.35Å; S115-D117 PolarHBondContact O-N 2.86Å; S115-D118 VanDerWaalsContact O-CB 3.31Å; S115-D118 WeakPolarHBondContact O-CB 3.45Å; S115-D118 PolarHBondContact O-N 3.38Å; S115-S121 WeakPolarHBondContact O-CB 3.28Å
116	K	73.7	Confident	87.3	Confident	125 Å²	125	91 Å²	91	54%	0.543	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-22.7	-175	-77.9	174.4	-172.9	-177.5	0	115.6	R113 D118 L125	R113-K116 WeakPolarHBondContact O-CE 3.46Å; R113-K116 WeakPolarHBondContact O-CG 3.34Å; K116-D118 VanDerWaalsContact C-N 3.32Å; K116-L125 HydrophobicContact CG-CD1 4.38Å
117	D	81.8	Confident	87.1	Confident	173 Å²	173	84.8 Å²	84.8	93%	0.925	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-17.3	176.6	-62.9	-36.8	0	0	0	112.3	S115	S115-D117 PolarHBondContact O-N 2.86Å
118	D	88.8	Confident	87.1	Confident	74 Å²	74	83.6 Å²	83.6	40%	0.396	41%	0.406	S	S	.	.	S	Bend	trans	-74.5	126.3	172	174.6	60.9	0	0	0	110.3	S115 K116 S120 S121 K122	S115-D118 VanDerWaalsContact O-CB 3.31Å; S115-D118 WeakPolarHBondContact O-CB 3.45Å; S115-D118 PolarHBondContact O-N 3.38Å; K116-D118 VanDerWaalsContact C-N 3.32Å; D118-S120 VanDerWaalsContact C-N 3.29Å; D118-S120 PolarHBondContact O-N 3.12Å; D118-S120 WeakPolarHBondContact OD2-CB 3.29Å; D118-S120 PolarHBondContact OD2-N 2.89Å; D118-S121 PolarHBondContact O-N 3.04Å; D118-S121 WeakPolarHBondContact OD2-CB 3.34Å; D118-S121 PolarHBondContact OD2-N 2.92Å; D118-S121 PolarHBondContact OD2-OG 3.32Å; D118-K122 PolarHBondContact O-N 3.07Å
119	K	87	Confident	87	Confident	183 Å²	183	88 Å²	88	80%	0.796	42%	0.423	S	S	*	.	H	α-helix	trans	-64.4	-36.7	-174.6	-171.4	-179.7	177.3	-173.8	0	111.6	F123	K119-F123 PolarHBondContact O-N 3.33Å; K119-F123 VanDerWaalsContact O-N 3.09Å
120	S	86.8	Confident	86.9	Confident	75 Å²	75	91.2 Å²	91.2	52%	0.524	44%	0.441	S	S	.	.	H	α-helix	trans	-68.3	-45.8	178.8	-53.1	0	0	0	0	110.6	D118 K122 F123 I124	D118-S120 VanDerWaalsContact C-N 3.29Å; D118-S120 PolarHBondContact O-N 3.12Å; D118-S120 WeakPolarHBondContact OD2-CB 3.29Å; D118-S120 PolarHBondContact OD2-N 2.89Å; S120-K122 VanDerWaalsContact C-N 3.33Å; S120-K122 PolarHBondContact O-N 3.19Å; S120-F123 WeakPolarHBondContact O-CB 3.4Å; S120-F123 PolarHBondContact O-N 2.84Å; S120-F123 VanDerWaalsContact O-N 3.1Å; S120-I124 WeakPolarHBondContact O-CG1 3.4Å; S120-I124 PolarHBondContact O-N 3.03Å
121	S	87.9	Confident	87	Confident	15 Å²	15	85.7 Å²	85.7	11%	0.105	42%	0.415	C	S	.	.	H	α-helix	trans	-60.3	-42.4	177.5	-58.2	0	0	0	0	111.8	S115 D118 F123 I124 L125	S115-S121 WeakPolarHBondContact O-CB 3.28Å; D118-S121 PolarHBondContact O-N 3.04Å; D118-S121 WeakPolarHBondContact OD2-CB 3.34Å; D118-S121 PolarHBondContact OD2-N 2.92Å; D118-S121 PolarHBondContact OD2-OG 3.32Å; S121-F123 VanDerWaalsContact C-N 3.35Å; S121-F123 PolarHBondContact O-N 3.42Å; S121-I124 PolarHBondContact O-N 3.07Å; S121-L125 WeakPolarHBondContact O-CB 3.19Å; S121-L125 VanDerWaalsContact O-CG 3.29Å; S121-L125 WeakPolarHBondContact O-CG 3.41Å; S121-L125 PolarHBondContact O-N 3.05Å
122	K	87.3	Confident	87.1	Confident	141 Å²	141	85.3 Å²	85.3	61%	0.613	41%	0.409	S	S	*	.	H	α-helix	trans	-64.1	-38	175	-171.6	177.3	178.9	-179.3	0	112.7	D118 S120 E126	D118-K122 PolarHBondContact O-N 3.07Å; S120-K122 VanDerWaalsContact C-N 3.33Å; S120-K122 PolarHBondContact O-N 3.19Å; K122-E126 PolarHBondContact O-N 2.82Å
123	F	86.1	Confident	87.3	Confident	118 Å²	118	88 Å²	88	52%	0.518	42%	0.423	S	S	.	.	H	α-helix	trans	-66.2	-46.5	176.1	177.5	-107.1	0	0	0	111.4	K119 S120 S121 L125 E126 L127	K119-F123 PolarHBondContact O-N 3.33Å; K119-F123 VanDerWaalsContact O-N 3.09Å; S120-F123 WeakPolarHBondContact O-CB 3.4Å; S120-F123 PolarHBondContact O-N 2.84Å; S120-F123 VanDerWaalsContact O-N 3.1Å; S121-F123 VanDerWaalsContact C-N 3.35Å; S121-F123 PolarHBondContact O-N 3.42Å; F123-L125 PolarHBondContact O-N 2.92Å; F123-E126 WeakPolarHBondContact O-CB 3.48Å; F123-E126 PolarHBondContact O-N 3.17Å; F123-E126 VanDerWaalsContact O-N 3.08Å; F123-L127 HydrophobicContact CD1-CD1 4.12Å; F123-L127 HydrophobicContact CE1-CD1 3.59Å; F123-L127 HydrophobicContact CE1-CG 4.24Å; F123-L127 HydrophobicContact CZ-CD1 3.97Å; F123-L127 HydrophobicContact CZ-CD2 4.26Å; F123-L127 HydrophobicContact CZ-CG 4.26Å; F123-L127 PolarHBondContact O-N 2.81Å; F123-L127 VanDerWaalsContact O-N 3.12Å
124	I	87.9	Confident	87.6	Confident	31 Å²	31	82.4 Å²	82.4	16%	0.159	40%	0.401	C	S	.	.	H	α-helix	trans	-60.9	-45.3	176.6	-63.6	166	0	0	0	110.5	Y105 L112 S120 S121 E126 L127 L128	Y105-I124 HydrophobicContact CD1-CD1 4.36Å; Y105-I124 HydrophobicContact CD1-CG1 4.28Å; Y105-I124 HydrophobicContact CD1-CG2 3.89Å; Y105-I124 HydrophobicContact CD2-CG2 4.17Å; Y105-I124 HydrophobicContact CE1-CG2 4.09Å; Y105-I124 HydrophobicContact CE2-CG2 4.34Å; Y105-I124 HydrophobicContact CG-CG2 3.93Å; L112-I124 HydrophobicContact CD1-CB 4.37Å; L112-I124 HydrophobicContact CD1-CG2 3.58Å; L112-I124 HydrophobicContact CD2-CB 4.01Å; L112-I124 HydrophobicContact CD2-CD1 4.02Å; L112-I124 HydrophobicContact CD2-CG2 4.04Å; L112-I124 HydrophobicContact CG-CG2 4.5Å; S120-I124 WeakPolarHBondContact O-CG1 3.4Å; S120-I124 PolarHBondContact O-N 3.03Å; S121-I124 PolarHBondContact O-N 3.07Å; I124-E126 PolarHBondContact O-N 3.47Å; I124-E126 VanDerWaalsContact O-N 3.15Å; I124-L127 WeakPolarHBondContact O-CB 3.31Å; I124-L127 PolarHBondContact O-N 3.48Å; I124-L128 HydrophobicContact CG2-CD1 4.39Å; I124-L128 HydrophobicContact CG2-CG 4.2Å; I124-L128 WeakPolarHBondContact O-CG 3.42Å; I124-L128 PolarHBondContact O-N 3.07Å
125	L	88.2	Confident	88	Confident	32 Å²	32	76.1 Å²	76.1	17%	0.168	37%	0.372	C	S	.	.	H	α-helix	trans	-58	-28.8	175.9	-76.1	170.9	0	0	0	113.6	L112 R113 K116 S121 F123 L128	L112-L125 HydrophobicContact CB-CD1 4.48Å; L112-L125 HydrophobicContact CB-CD2 3.9Å; L112-L125 HydrophobicContact CB-CG 4.02Å; R113-L125 HydrophobicContact CG-CD2 4.06Å; K116-L125 HydrophobicContact CG-CD1 4.38Å; S121-L125 WeakPolarHBondContact O-CB 3.19Å; S121-L125 VanDerWaalsContact O-CG 3.29Å; S121-L125 WeakPolarHBondContact O-CG 3.41Å; S121-L125 PolarHBondContact O-N 3.05Å; F123-L125 PolarHBondContact O-N 2.92Å; L125-L128 HydrophobicContact CD2-CD1 4.39Å
126	E	86.4	Confident	88.5	Confident	104 Å²	104	76.3 Å²	76.3	49%	0.486	37%	0.373	S	S	.	.	H	α-helix	trans	-73.7	-44.6	174.2	-162.5	62.8	-149.4	0	0	110.9	K122 F123 I124 L128 K129	K122-E126 PolarHBondContact O-N 2.82Å; F123-E126 WeakPolarHBondContact O-CB 3.48Å; F123-E126 PolarHBondContact O-N 3.17Å; F123-E126 VanDerWaalsContact O-N 3.08Å; I124-E126 PolarHBondContact O-N 3.47Å; I124-E126 VanDerWaalsContact O-N 3.15Å; E126-L128 VanDerWaalsContact C-N 3.3Å; E126-L128 PolarHBondContact O-N 3.2Å; E126-K129 WeakPolarHBondContact O-CB 3.4Å; E126-K129 PolarHBondContact O-N 2.92Å; E126-K129 IonicContact OE1-NZ 2.73Å; E126-K129 PolarHBondContact OE1-NZ 3.5Å; E126-K129 WeakPolarHBondContact OE2-CE 3.23Å; E126-K129 IonicContact OE2-NZ 3.18Å; E126-K129 PolarHBondContact OE2-NZ 2.77Å
127	L	87.1	Confident	89.5	Confident	56 Å²	56	72.6 Å²	72.6	29%	0.293	36%	0.358	S	S	.	.	H	α-helix	trans	-59.7	-40.1	174.8	-64.4	179.5	0	0	0	112.2	F123 I124 K129 D130 E131	F123-L127 HydrophobicContact CD1-CD1 4.12Å; F123-L127 HydrophobicContact CE1-CD1 3.59Å; F123-L127 HydrophobicContact CE1-CG 4.24Å; F123-L127 HydrophobicContact CZ-CD1 3.97Å; F123-L127 HydrophobicContact CZ-CD2 4.26Å; F123-L127 HydrophobicContact CZ-CG 4.26Å; F123-L127 PolarHBondContact O-N 2.81Å; F123-L127 VanDerWaalsContact O-N 3.12Å; I124-L127 WeakPolarHBondContact O-CB 3.31Å; I124-L127 PolarHBondContact O-N 3.48Å; L127-K129 PolarHBondContact O-N 3.31Å; L127-D130 PolarHBondContact O-N 2.73Å; L127-D130 VanDerWaalsContact O-N 3.12Å; L127-E131 PolarHBondContact O-N 2.73Å
128	L	89.9	Confident	90.2	Very high	4 Å²	4	64.4 Å²	64.4	2%	0.021	31%	0.314	C	S	.	.	H	α-helix	trans	-59.9	-20.1	179.3	-70.7	-174.8	0	0	0	113.4	F97 I101 Y105 E109 L112 I124 L125 E126 E131 R132	F97-L128 HydrophobicContact CZ-CD2 4.49Å; I101-L128 HydrophobicContact CD1-CD1 3.86Å; I101-L128 HydrophobicContact CD1-CD2 3.87Å; I101-L128 HydrophobicContact CG1-CD1 4.5Å; I101-L128 HydrophobicContact CG1-CD2 3.73Å; Y105-L128 HydrophobicContact CD2-CD2 4.13Å; Y105-L128 HydrophobicContact CE2-CD2 3.58Å; E109-L128 HydrophobicContact CG-CD1 4.26Å; L112-L128 HydrophobicContact CD1-CD1 3.79Å; I124-L128 HydrophobicContact CG2-CD1 4.39Å; I124-L128 HydrophobicContact CG2-CG 4.2Å; I124-L128 WeakPolarHBondContact O-CG 3.42Å; I124-L128 PolarHBondContact O-N 3.07Å; L125-L128 HydrophobicContact CD2-CD1 4.39Å; E126-L128 VanDerWaalsContact C-N 3.3Å; E126-L128 PolarHBondContact O-N 3.2Å; L128-E131 VanDerWaalsContact CD2-OE2 3.29Å; L128-E131 WeakPolarHBondContact CD2-OE2 3.37Å; L128-R132 WeakPolarHBondContact O-CB 3.39Å; L128-R132 PolarHBondContact O-N 3Å
129	K	88.8	Confident	90.6	Very high	116 Å²	116	61.4 Å²	61.4	50%	0.504	30%	0.298	S	S	.	.	H	α-helix	trans	-66.4	-48.7	175.1	-65	176.8	-176	168.6	0	111.1	E126 L127 R132 L133	E126-K129 WeakPolarHBondContact O-CB 3.4Å; E126-K129 PolarHBondContact O-N 2.92Å; E126-K129 IonicContact OE1-NZ 2.73Å; E126-K129 PolarHBondContact OE1-NZ 3.5Å; E126-K129 WeakPolarHBondContact OE2-CE 3.23Å; E126-K129 IonicContact OE2-NZ 3.18Å; E126-K129 PolarHBondContact OE2-NZ 2.77Å; L127-K129 PolarHBondContact O-N 3.31Å; K129-R132 PolarHBondContact O-N 3.5Å; K129-L133 PolarHBondContact O-N 3.19Å
130	D	86.5	Confident	91.1	Very high	95 Å²	95	57 Å²	57	51%	0.508	28%	0.278	S	S	.	.	H	α-helix	trans	-69.4	-37.2	179.7	-73.4	2.2	0	0	0	111.1	L127 L133 R134	L127-D130 PolarHBondContact O-N 2.73Å; L127-D130 VanDerWaalsContact O-N 3.12Å; D130-L133 WeakPolarHBondContact O-CB 3.24Å; D130-L133 PolarHBondContact O-N 3.44Å; D130-R134 PolarHBondContact O-N 3.01Å
131	E	91.5	Very high	91.5	Very high	19 Å²	19	57.8 Å²	57.8	9%	0.089	28%	0.277	C	S	.	.	H	α-helix	trans	-68.6	-38.3	176.5	-63.4	-167.9	131.3	0	0	112.5	F97 Y100 Y105 L127 L128 L133 R134 F135	F97-E131 HydrophobicContact CE2-CB 4.42Å; F97-E131 HydrophobicContact CZ-CB 4.43Å; Y100-E131 HydrophobicContact CE1-CB 4.39Å; Y100-E131 WeakPolarHBondContact CE1-OE2 3.1Å; Y100-E131 PolarHBondContact OH-OE1 3.05Å; Y105-E131 VanDerWaalsContact CE2-OE2 3.32Å; Y105-E131 WeakPolarHBondContact CE2-OE2 3.43Å; Y105-E131 PolarHBondContact OH-OE1 2.75Å; Y105-E131 VanDerWaalsContact OH-OE1 3.13Å; Y105-E131 PolarHBondContact OH-OE2 3.2Å; L127-E131 PolarHBondContact O-N 2.73Å; L128-E131 VanDerWaalsContact CD2-OE2 3.29Å; L128-E131 WeakPolarHBondContact CD2-OE2 3.37Å; E131-L133 VanDerWaalsContact C-N 3.33Å; E131-R134 WeakPolarHBondContact O-CB 3.29Å; E131-R134 PolarHBondContact O-N 2.96Å; E131-R134 IonicContact OE1-NH2 3.78Å; E131-F135 WeakPolarHBondContact O-CB 3.28Å; E131-F135 PolarHBondContact O-N 3.44Å
132	R	93.8	Very high	91.9	Very high	100 Å²	100	63.1 Å²	63.1	38%	0.377	30%	0.304	S	S	.	.	H	α-helix	trans	-66	-39.5	173.4	-173.4	-178.9	-57.7	-77.4	2.7	111.3	F97 E109 L128 K129 F135 S136	F97-R132 VanDerWaalsContact CD1-NH1 3.34Å; F97-R132 HydrophobicContact CE1-CB 4.2Å; F97-R132 HydrophobicContact CE1-CG 4.46Å; F97-R132 VanDerWaalsContact CE1-NH2 3.31Å; F97-R132 HydrophobicContact CE2-CB 4.22Å; F97-R132 HydrophobicContact CZ-CB 3.68Å; F97-R132 HydrophobicContact CZ-CG 4.31Å; E109-R132 IonicContact OE1-NH2 2.77Å; E109-R132 PolarHBondContact OE1-NH2 2.95Å; E109-R132 IonicContact OE2-CZ 3.31Å; E109-R132 IonicContact OE2-NH2 2.68Å; E109-R132 PolarHBondContact OE2-NH2 3.06Å; L128-R132 WeakPolarHBondContact O-CB 3.39Å; L128-R132 PolarHBondContact O-N 3Å; K129-R132 PolarHBondContact O-N 3.5Å; R132-F135 PolarHBondContact O-N 3.34Å; R132-S136 PolarHBondContact O-N 3.21Å; R132-S136 PolarHBondContact O-OG 3.15Å
133	L	91.9	Very high	92.4	Very high	60 Å²	60	60 Å²	60	31%	0.314	29%	0.294	S	S	.	.	H	α-helix	trans	-59.5	-50.6	173.6	-170.8	66.2	0	0	0	109.7	K129 D130 E131 F135 S136 F137 Y166	K129-L133 PolarHBondContact O-N 3.19Å; D130-L133 WeakPolarHBondContact O-CB 3.24Å; D130-L133 PolarHBondContact O-N 3.44Å; E131-L133 VanDerWaalsContact C-N 3.33Å; L133-F135 VanDerWaalsContact C-N 3.32Å; L133-F135 PolarHBondContact O-N 2.95Å; L133-S136 PolarHBondContact O-N 3.1Å; L133-S136 VanDerWaalsContact O-N 3.14Å; L133-S136 PolarHBondContact O-OG 3.35Å; L133-F137 HydrophobicContact CD1-CD2 4.17Å; L133-F137 HydrophobicContact CD1-CE2 3.8Å; L133-F137 HydrophobicContact CG-CD2 4.15Å; L133-F137 HydrophobicContact CG-CE2 4.05Å; L133-F137 WeakPolarHBondContact O-CD2 3.32Å; L133-F137 PolarHBondContact O-N 2.92Å; L133-F137 VanDerWaalsContact O-N 3.1Å; L133-Y166 HydrophobicContact CB-CE2 4.45Å; L133-Y166 HydrophobicContact CD2-CD2 4.34Å; L133-Y166 HydrophobicContact CD2-CE2 4.47Å; L133-Y166 HydrophobicContact CG-CD2 4.21Å; L133-Y166 HydrophobicContact CG-CE2 4.44Å
134	R	94.2	Very high	92.9	Very high	9 Å²	9	56.1 Å²	56.1	3%	0.034	29%	0.288	C	S	.	.	H	α-helix	trans	-54.2	-47.8	175.7	-168.4	173.2	58.8	-150.6	-9	112.2	Y100 D130 E131 S136 F137 A138 F154 M163 Y166	Y100-R134 PolarHBondContact OH-NH2 3.4Å; D130-R134 PolarHBondContact O-N 3.01Å; E131-R134 WeakPolarHBondContact O-CB 3.29Å; E131-R134 PolarHBondContact O-N 2.96Å; E131-R134 IonicContact OE1-NH2 3.78Å; R134-S136 VanDerWaalsContact C-N 3.33Å; R134-S136 PolarHBondContact O-N 2.8Å; R134-F137 PolarHBondContact O-N 3.31Å; R134-A138 WeakPolarHBondContact O-CB 3.38Å; R134-A138 PolarHBondContact O-N 3.5Å; R134-F154 HydrophobicContact CB-CD2 4.2Å; R134-F154 HydrophobicContact CB-CE2 3.97Å; R134-F154 WeakPolarHBondContact CD-O 3.25Å; R134-F154 HydrophobicContact CG-CD2 3.69Å; R134-F154 HydrophobicContact CG-CE2 3.89Å; R134-M163 HydrophobicContact CG-CE 4.02Å; R134-Y166 HydrophobicContact CB-CD1 4.46Å; R134-Y166 HydrophobicContact CB-CD2 4.18Å; R134-Y166 HydrophobicContact CB-CE1 3.87Å; R134-Y166 HydrophobicContact CB-CE2 3.55Å; R134-Y166 HydrophobicContact CG-CD1 4.01Å; R134-Y166 HydrophobicContact CG-CE1 3.49Å; R134-Y166 VanDerWaalsContact CG-CE1 3.49Å; R134-Y166 HydrophobicContact CG-CE2 4.14Å
135	F	96.3	Very high	93.4	Very high	13 Å²	13	57 Å²	57	6%	0.057	29%	0.292	C	S	.	.	H	α-helix	trans	-57.5	-47.6	178.9	-168.8	-78.3	0	0	0	110.7	F97 E131 R132 L133 F137 A138 D139 L146 F154	F97-F135 HydrophobicContact CB-CD2 4.34Å; F97-F135 HydrophobicContact CB-CE2 4.05Å; F97-F135 HydrophobicContact CB-CZ 4.17Å; F97-F135 HydrophobicContact CD2-CB 3.89Å; F97-F135 HydrophobicContact CD2-CD1 4.43Å; F97-F135 AromaticContact CD2-CD2 3.48Å; F97-F135 HydrophobicContact CD2-CD2 3.48Å; F97-F135 VanDerWaalsContact CD2-CD2 3.48Å; F97-F135 HydrophobicContact CD2-CE2 4.02Å; F97-F135 AromaticContact CD2-CG 3.68Å; F97-F135 HydrophobicContact CD2-CG 3.68Å; F97-F135 HydrophobicContact CE2-CB 3.98Å; F97-F135 HydrophobicContact CE2-CD2 4.27Å; F97-F135 HydrophobicContact CE2-CG 4.29Å; F97-F135 HydrophobicContact CG-CD2 4.39Å; E131-F135 WeakPolarHBondContact O-CB 3.28Å; E131-F135 PolarHBondContact O-N 3.44Å; R132-F135 PolarHBondContact O-N 3.34Å; L133-F135 VanDerWaalsContact C-N 3.32Å; L133-F135 PolarHBondContact O-N 2.95Å; F135-F137 VanDerWaalsContact C-N 3.27Å; F135-F137 PolarHBondContact O-N 3.02Å; F135-A138 PolarHBondContact O-N 2.72Å; F135-A138 VanDerWaalsContact O-N 3.13Å; F135-D139 HydrophobicContact CD1-CB 4.35Å; F135-D139 HydrophobicContact CE1-CB 4.3Å; F135-D139 WeakPolarHBondContact O-CB 3.19Å; F135-D139 PolarHBondContact O-N 2.93Å; F135-L146 HydrophobicContact CD1-CD2 4.37Å; F135-L146 HydrophobicContact CD2-CD1 3.49Å; F135-L146 VanDerWaalsContact CD2-CD1 3.49Å; F135-L146 HydrophobicContact CD2-CD2 4.35Å; F135-L146 HydrophobicContact CD2-CG 3.86Å; F135-L146 HydrophobicContact CE1-CD2 4.17Å; F135-L146 HydrophobicContact CE1-CG 4.16Å; F135-L146 HydrophobicContact CE2-CD1 3.45Å; F135-L146 VanDerWaalsContact CE2-CD1 3.45Å; F135-L146 HydrophobicContact CE2-CD2 4.22Å; F135-L146 HydrophobicContact CE2-CG 3.43Å; F135-L146 VanDerWaalsContact CE2-CG 3.43Å; F135-L146 HydrophobicContact CG-CD1 4.27Å; F135-L146 HydrophobicContact CG-CD2 4.46Å; F135-L146 HydrophobicContact CG-CG 4.44Å; F135-L146 HydrophobicContact CZ-CD1 4.15Å; F135-L146 HydrophobicContact CZ-CD2 4.12Å; F135-L146 HydrophobicContact CZ-CG 3.59Å; F135-F154 HydrophobicContact CB-CD2 4.3Å; F135-F154 HydrophobicContact CB-CE2 3.91Å; F135-F154 HydrophobicContact CD2-CE2 4.2Å
136	S	95.9	Very high	93.9	Very high	59 Å²	59	55.4 Å²	55.4	41%	0.413	28%	0.284	S	S	.	.	H	α-helix	trans	-65.5	-25.8	180	70.1	0	0	0	0	114.5	R132 L133 R134	R132-S136 PolarHBondContact O-N 3.21Å; R132-S136 PolarHBondContact O-OG 3.15Å; L133-S136 PolarHBondContact O-N 3.1Å; L133-S136 VanDerWaalsContact O-N 3.14Å; L133-S136 PolarHBondContact O-OG 3.35Å; R134-S136 VanDerWaalsContact C-N 3.33Å; R134-S136 PolarHBondContact O-N 2.8Å
137	F	94.9	Very high	94.4	Very high	48 Å²	48	51.6 Å²	51.6	21%	0.211	27%	0.269	C	S	.	.	H	α-helix	trans	-79.9	-31.2	174	-90.5	-91.7	0	0	0	112.6	L133 R134 F135 K140 M163 N165 Y166	L133-F137 HydrophobicContact CD1-CD2 4.17Å; L133-F137 HydrophobicContact CD1-CE2 3.8Å; L133-F137 HydrophobicContact CG-CD2 4.15Å; L133-F137 HydrophobicContact CG-CE2 4.05Å; L133-F137 WeakPolarHBondContact O-CD2 3.32Å; L133-F137 PolarHBondContact O-N 2.92Å; L133-F137 VanDerWaalsContact O-N 3.1Å; R134-F137 PolarHBondContact O-N 3.31Å; F135-F137 VanDerWaalsContact C-N 3.27Å; F135-F137 PolarHBondContact O-N 3.02Å; F137-K140 WeakPolarHBondContact O-CE 3.43Å; F137-K140 PolarHBondContact O-NZ 2.83Å; F137-M163 VanDerWaalsContact C-SD 3.57Å; F137-M163 HydrophobicContact CB-CE 3.78Å; F137-M163 HydrophobicContact CB-SD 3.87Å; F137-N165 HydrophobicContact CD1-CB 4.37Å; F137-N165 HydrophobicContact CE1-CB 3.61Å; F137-N165 HydrophobicContact CZ-CB 4.33Å; F137-Y166 HydrophobicContact CD2-CD2 4.33Å
138	A	96.9	Very high	94.9	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-78	-38.3	178.6	0	0	0	0	0	112.2	R134 F135 K140 L146 E150 L153 F154 M163	R134-A138 WeakPolarHBondContact O-CB 3.38Å; R134-A138 PolarHBondContact O-N 3.5Å; F135-A138 PolarHBondContact O-N 2.72Å; F135-A138 VanDerWaalsContact O-N 3.13Å; A138-K140 PolarHBondContact O-N 2.88Å; A138-L146 HydrophobicContact CB-CD2 3.92Å; A138-E150 WeakPolarHBondContact O-CB 3.34Å; A138-E150 VanDerWaalsContact O-CG 3.27Å; A138-E150 WeakPolarHBondContact O-CG 3.45Å; A138-L153 HydrophobicContact CB-CB 4.36Å; A138-F154 HydrophobicContact CB-CB 3.75Å; A138-F154 HydrophobicContact CB-CD2 4.31Å; A138-M163 HydrophobicContact CB-CE 4.05Å; A138-M163 HydrophobicContact CB-SD 4.07Å
139	D	97.7	Very high	95.2	Very high	12 Å²	12	54.5 Å²	54.5	6%	0.064	28%	0.281	C	S	.	.			trans	-68.6	90.2	174.1	-178.7	2.9	0	0	0	110.3	F135 N142 D143 G144 L146	F135-D139 HydrophobicContact CD1-CB 4.35Å; F135-D139 HydrophobicContact CE1-CB 4.3Å; F135-D139 WeakPolarHBondContact O-CB 3.19Å; F135-D139 PolarHBondContact O-N 2.93Å; D139-N142 WeakPolarHBondContact OD1-CA 3.26Å; D139-N142 PolarHBondContact OD1-N 2.67Å; D139-D143 PolarHBondContact OD1-N 3.29Å; D139-G144 VanDerWaalsContact OD2-CA 3.26Å; D139-G144 WeakPolarHBondContact OD2-CA 3.39Å; D139-G144 PolarHBondContact OD2-N 2.61Å; D139-L146 HydrophobicContact CB-CD2 3.83Å
140	K	96.5	Very high	95.6	Very high	89 Å²	89	49.6 Å²	49.6	39%	0.387	26%	0.26	S	S	.	.	S	Bend	trans	-79.4	-36.1	-173.2	-67.4	-53.1	-171.5	-162.7	0	111.4	F137 A138 N142 E150 L153 D162	F137-K140 WeakPolarHBondContact O-CE 3.43Å; F137-K140 PolarHBondContact O-NZ 2.83Å; A138-K140 PolarHBondContact O-N 2.88Å; K140-N142 VanDerWaalsContact C-N 3.33Å; K140-N142 PolarHBondContact O-ND2 3.42Å; K140-E150 PolarHBondContact N-OE1 3.43Å; K140-L153 HydrophobicContact CG-CD1 4.4Å; K140-D162 PolarHBondContact NZ-O 2.9Å
141	D	96.9	Very high	96.1	Very high	93 Å²	93	45 Å²	45	50%	0.497	24%	0.236	S	C	.	.	S	Bend	trans	-84.7	-9.3	179.7	74.5	12.2	0	0	0	113.5	D143 E150	D141-D143 VanDerWaalsContact C-N 3.25Å; D141-D143 PolarHBondContact O-N 3.35Å; D141-D143 WeakPolarHBondContact OD1-CB 3.4Å; D141-D143 PolarHBondContact OD1-N 3.42Å; D141-E150 PolarHBondContact N-OE1 2.88Å
142	N	96.1	Very high	96.3	Very high	126 Å²	126	44.5 Å²	44.5	67%	0.674	23%	0.234	S	C	*	.			trans	60.5	31.7	178.5	-57.9	-96.9	0	0	0	112.8	D139 K140 G144	D139-N142 WeakPolarHBondContact OD1-CA 3.26Å; D139-N142 PolarHBondContact OD1-N 2.67Å; K140-N142 VanDerWaalsContact C-N 3.33Å; K140-N142 PolarHBondContact O-ND2 3.42Å; N142-G144 VanDerWaalsContact C-N 3.27Å
143	D	97.3	Very high	96.3	Very high	75 Å²	75	40.7 Å²	40.7	40%	0.401	22%	0.221	S	C	.	.	S	Bend	trans	-83.3	-6	175.5	84.8	-6.2	0	0	0	113.2	K94 D139 D141 L145	K94-D143 IonicContact NZ-OD1 3.7Å; K94-D143 IonicContact NZ-OD2 3.59Å; K94-D143 PolarHBondContact NZ-OD2 3.25Å; D139-D143 PolarHBondContact OD1-N 3.29Å; D141-D143 VanDerWaalsContact C-N 3.25Å; D141-D143 PolarHBondContact O-N 3.35Å; D141-D143 WeakPolarHBondContact OD1-CB 3.4Å; D141-D143 PolarHBondContact OD1-N 3.42Å; D143-L145 VanDerWaalsContact C-N 3.35Å; D143-L145 WeakPolarHBondContact OD1-CA 3.49Å; D143-L145 WeakPolarHBondContact OD1-CB 3.47Å; D143-L145 PolarHBondContact OD1-N 2.62Å
144	G	96.6	Very high	96.5	Very high	37 Å²	37	37.9 Å²	37.9	38%	0.381	21%	0.206	S	C	.	.	S	Bend	trans	83.5	7.4	179.4	0	0	0	0	0	114.2	D139 N142	D139-G144 VanDerWaalsContact OD2-CA 3.26Å; D139-G144 WeakPolarHBondContact OD2-CA 3.39Å; D139-G144 PolarHBondContact OD2-N 2.61Å; N142-G144 VanDerWaalsContact C-N 3.27Å
145	L	97.9	Very high	96.4	Very high	49 Å²	49	37.9 Å²	37.9	26%	0.257	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	127.6	-178.7	-56.3	172.4	0	0	0	109.8	K94 D143 S147	K94-L145 HydrophobicContact CB-CB 3.93Å; K94-L145 HydrophobicContact CD-CB 3.56Å; K94-L145 HydrophobicContact CD-CD1 4Å; K94-L145 HydrophobicContact CD-CG 4.44Å; K94-L145 HydrophobicContact CG-CB 4.42Å; D143-L145 VanDerWaalsContact C-N 3.35Å; D143-L145 WeakPolarHBondContact OD1-CA 3.49Å; D143-L145 WeakPolarHBondContact OD1-CB 3.47Å; D143-L145 PolarHBondContact OD1-N 2.62Å; L145-S147 PolarHBondContact O-N 2.9Å
146	L	98.2	Very high	96.1	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	114	176.4	-59.3	177.2	0	0	0	110.3	K94 V95 F135 A138 D139 E150 F151 F154	K94-L146 CarbonylContact C-O 3.47Å; K94-L146 VanDerWaalsContact CA-O 3.23Å; K94-L146 WeakPolarHBondContact CA-O 3.3Å; K94-L146 WeakPolarHBondContact CB-O 3.45Å; V95-L146 HydrophobicContact CB-CB 4.49Å; V95-L146 PolarHBondContact N-O 3.27Å; V95-L146 PolarHBondContact O-N 3.49Å; F135-L146 HydrophobicContact CD1-CD2 4.37Å; F135-L146 HydrophobicContact CD2-CD1 3.49Å; F135-L146 VanDerWaalsContact CD2-CD1 3.49Å; F135-L146 HydrophobicContact CD2-CD2 4.35Å; F135-L146 HydrophobicContact CD2-CG 3.86Å; F135-L146 HydrophobicContact CE1-CD2 4.17Å; F135-L146 HydrophobicContact CE1-CG 4.16Å; F135-L146 HydrophobicContact CE2-CD1 3.45Å; F135-L146 VanDerWaalsContact CE2-CD1 3.45Å; F135-L146 HydrophobicContact CE2-CD2 4.22Å; F135-L146 HydrophobicContact CE2-CG 3.43Å; F135-L146 VanDerWaalsContact CE2-CG 3.43Å; F135-L146 HydrophobicContact CG-CD1 4.27Å; F135-L146 HydrophobicContact CG-CD2 4.46Å; F135-L146 HydrophobicContact CG-CG 4.44Å; F135-L146 HydrophobicContact CZ-CD1 4.15Å; F135-L146 HydrophobicContact CZ-CD2 4.12Å; F135-L146 HydrophobicContact CZ-CG 3.59Å; A138-L146 HydrophobicContact CB-CD2 3.92Å; D139-L146 HydrophobicContact CB-CD2 3.83Å; L146-E150 HydrophobicContact CB-CB 4.21Å; L146-E150 HydrophobicContact CD2-CB 3.88Å; L146-F151 HydrophobicContact CB-CB 4.07Å; L146-F151 HydrophobicContact CB-CD2 4.5Å; L146-F151 HydrophobicContact CD1-CD2 3.95Å; L146-F154 HydrophobicContact CD1-CB 3.72Å; L146-F154 HydrophobicContact CD1-CD1 4.24Å; L146-F154 HydrophobicContact CD1-CD2 3.95Å; L146-F154 HydrophobicContact CD1-CG 3.71Å
147	S	97.8	Very high	95.8	Very high	24 Å²	24	37 Å²	37	17%	0.168	20%	0.195	C	C	.	.			trans	-60.4	169.8	162	63.1	0	0	0	0	111.4	L145 E149 E150 F151	L145-S147 PolarHBondContact O-N 2.9Å; S147-E149 VanDerWaalsContact C-N 3.28Å; S147-E149 PolarHBondContact O-N 3.03Å; S147-E150 VanDerWaalsContact CB-OE2 3.29Å; S147-E150 WeakPolarHBondContact CB-OE2 3.42Å; S147-E150 PolarHBondContact N-OE2 3.38Å; S147-E150 PolarHBondContact O-N 2.8Å; S147-E150 VanDerWaalsContact OG-CD 3.24Å; S147-E150 VanDerWaalsContact OG-CG 3.28Å; S147-E150 WeakPolarHBondContact OG-CG 3.45Å; S147-E150 PolarHBondContact OG-N 3.22Å; S147-E150 PolarHBondContact OG-OE2 2.98Å; S147-F151 VanDerWaalsContact O-CB 3.24Å; S147-F151 WeakPolarHBondContact O-CB 3.5Å; S147-F151 PolarHBondContact O-N 3.44Å
148	L	96.4	Very high	95.3	Very high	25 Å²	25	36 Å²	36	13%	0.131	19%	0.191	C	C	.	.	H	α-helix	trans	-57.6	-41.4	179.1	174.8	60.3	0	0	0	112.6	A80 E81 L84 F151 T152	A80-L148 HydrophobicContact CB-CD1 3.91Å; E81-L148 HydrophobicContact CB-CD1 4.31Å; E81-L148 HydrophobicContact CG-CD1 3.62Å; E81-L148 HydrophobicContact CG-CD2 3.48Å; E81-L148 VanDerWaalsContact CG-CD2 3.48Å; E81-L148 HydrophobicContact CG-CG 4.16Å; L84-L148 HydrophobicContact CD2-CD1 4.36Å; L148-F151 PolarHBondContact O-N 3.24Å; L148-T152 PolarHBondContact O-N 2.71Å; L148-T152 PolarHBondContact O-OG1 2.9Å
149	E	96.2	Very high	94.7	Very high	95 Å²	95	37.6 Å²	37.6	44%	0.444	20%	0.199	S	C	.	.	H	α-helix	trans	-62.7	-47.7	176.5	-70.2	68.6	-152.9	0	0	111.1	R77 S147 F151 T152 L153	R77-E149 IonicContact CZ-OE1 3.25Å; R77-E149 IonicContact NH1-OE1 2.97Å; R77-E149 PolarHBondContact NH1-OE1 3.32Å; R77-E149 IonicContact NH2-OE1 3.22Å; R77-E149 PolarHBondContact NH2-OE1 3.48Å; S147-E149 VanDerWaalsContact C-N 3.28Å; S147-E149 PolarHBondContact O-N 3.03Å; E149-F151 VanDerWaalsContact C-N 3.35Å; E149-F151 PolarHBondContact O-N 3.32Å; E149-T152 VanDerWaalsContact O-CB 3.28Å; E149-T152 WeakPolarHBondContact O-CB 3.47Å; E149-T152 PolarHBondContact O-N 2.88Å; E149-L153 PolarHBondContact O-N 2.97Å; E149-L153 VanDerWaalsContact O-N 3.15Å
150	E	97.7	Very high	94.2	Very high	13 Å²	13	38.8 Å²	38.8	6%	0.061	20%	0.203	C	C	.	.	H	α-helix	trans	-69.2	-34.9	179.6	-65.3	166.3	138.4	0	0	111.8	A138 K140 D141 L146 S147 T152 L153 F154	A138-E150 WeakPolarHBondContact O-CB 3.34Å; A138-E150 VanDerWaalsContact O-CG 3.27Å; A138-E150 WeakPolarHBondContact O-CG 3.45Å; K140-E150 PolarHBondContact N-OE1 3.43Å; D141-E150 PolarHBondContact N-OE1 2.88Å; L146-E150 HydrophobicContact CB-CB 4.21Å; L146-E150 HydrophobicContact CD2-CB 3.88Å; S147-E150 VanDerWaalsContact CB-OE2 3.29Å; S147-E150 WeakPolarHBondContact CB-OE2 3.42Å; S147-E150 PolarHBondContact N-OE2 3.38Å; S147-E150 PolarHBondContact O-N 2.8Å; S147-E150 VanDerWaalsContact OG-CD 3.24Å; S147-E150 VanDerWaalsContact OG-CG 3.28Å; S147-E150 WeakPolarHBondContact OG-CG 3.45Å; S147-E150 PolarHBondContact OG-N 3.22Å; S147-E150 PolarHBondContact OG-OE2 2.98Å; E150-T152 VanDerWaalsContact C-N 3.28Å; E150-T152 PolarHBondContact O-N 2.86Å; E150-L153 WeakPolarHBondContact O-CB 3.28Å; E150-L153 PolarHBondContact O-N 2.84Å; E150-F154 WeakPolarHBondContact O-CB 3.28Å; E150-F154 PolarHBondContact O-N 3.19Å
151	F	97.2	Very high	93.7	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-67.6	-31.5	174.1	-167.7	-130.7	0	0	0	111.6	A80 Q83 L84 F87 V95 L146 S147 L148 E149 F154 L155	A80-F151 HydrophobicContact CB-CD1 4.39Å; Q83-F151 HydrophobicContact CB-CE1 3.63Å; Q83-F151 HydrophobicContact CB-CZ 4.13Å; L84-F151 HydrophobicContact CD1-CD1 4.36Å; F87-F151 HydrophobicContact CB-CZ 4.17Å; F87-F151 HydrophobicContact CD2-CE1 4.38Å; F87-F151 AromaticContact CD2-CZ 3.74Å; F87-F151 HydrophobicContact CD2-CZ 3.74Å; F87-F151 HydrophobicContact CE2-CZ 4.37Å; F87-F151 HydrophobicContact CG-CZ 4.04Å; V95-F151 HydrophobicContact CB-CD2 4.41Å; V95-F151 HydrophobicContact CB-CE2 4.5Å; V95-F151 HydrophobicContact CG1-CE2 4.43Å; V95-F151 HydrophobicContact CG2-CD1 4.25Å; V95-F151 HydrophobicContact CG2-CD2 4.19Å; V95-F151 HydrophobicContact CG2-CE1 4.23Å; V95-F151 HydrophobicContact CG2-CE2 4.2Å; V95-F151 HydrophobicContact CG2-CG 4.23Å; V95-F151 HydrophobicContact CG2-CZ 4.22Å; L146-F151 HydrophobicContact CB-CB 4.07Å; L146-F151 HydrophobicContact CB-CD2 4.5Å; L146-F151 HydrophobicContact CD1-CD2 3.95Å; S147-F151 VanDerWaalsContact O-CB 3.24Å; S147-F151 WeakPolarHBondContact O-CB 3.5Å; S147-F151 PolarHBondContact O-N 3.44Å; L148-F151 PolarHBondContact O-N 3.24Å; E149-F151 VanDerWaalsContact C-N 3.35Å; E149-F151 PolarHBondContact O-N 3.32Å; F151-F154 HydrophobicContact CD2-CB 4.4Å; F151-F154 HydrophobicContact CD2-CD1 4Å; F151-F154 AromaticContact CE2-CD1 3.9Å; F151-F154 HydrophobicContact CE2-CD1 3.9Å; F151-F154 HydrophobicContact CE2-CE1 4.36Å; F151-F154 PolarHBondContact O-N 3.49Å; F151-L155 HydrophobicContact CD1-CD1 3.92Å; F151-L155 HydrophobicContact CD2-CG 4.34Å; F151-L155 HydrophobicContact CE1-CD1 3.66Å; F151-L155 HydrophobicContact CE1-CG 4.3Å; F151-L155 HydrophobicContact CE2-CD1 4.35Å; F151-L155 HydrophobicContact CE2-CD2 4.16Å; F151-L155 HydrophobicContact CE2-CG 4.1Å; F151-L155 HydrophobicContact CG-CD1 4.38Å; F151-L155 HydrophobicContact CZ-CD1 3.88Å; F151-L155 HydrophobicContact CZ-CD2 4.06Å; F151-L155 HydrophobicContact CZ-CG 4.08Å; F151-L155 WeakPolarHBondContact O-CB 3.39Å; F151-L155 VanDerWaalsContact O-CG 3.26Å; F151-L155 WeakPolarHBondContact O-CG 3.04Å; F151-L155 PolarHBondContact O-N 3.36Å
152	T	95.5	Very high	93.3	Very high	7 Å²	7	40.2 Å²	40.2	4%	0.043	21%	0.212	C	C	.	.	H	α-helix	trans	-62.7	-46.1	170.3	-53.6	0	0	0	0	110.8	D76 A80 L148 E149 E150 F154 L155 R156 Y160	D76-T152 HydrophobicContact CB-CG2 3.87Å; A80-T152 HydrophobicContact CB-CG2 4.43Å; A80-T152 WeakPolarHBondContact CB-OG1 3.36Å; L148-T152 PolarHBondContact O-N 2.71Å; L148-T152 PolarHBondContact O-OG1 2.9Å; E149-T152 VanDerWaalsContact O-CB 3.28Å; E149-T152 WeakPolarHBondContact O-CB 3.47Å; E149-T152 PolarHBondContact O-N 2.88Å; E150-T152 VanDerWaalsContact C-N 3.28Å; E150-T152 PolarHBondContact O-N 2.86Å; T152-F154 VanDerWaalsContact C-N 3.31Å; T152-F154 PolarHBondContact O-N 3.19Å; T152-L155 PolarHBondContact O-N 3.15Å; T152-R156 PolarHBondContact O-N 3.05Å; T152-Y160 HydrophobicContact CG2-CE2 4.03Å; T152-Y160 WeakPolarHBondContact CG2-OH 3.41Å
153	L	94.6	Very high	93	Very high	20 Å²	20	34.2 Å²	34.2	11%	0.105	18%	0.18	C	C	.	.	H	α-helix	trans	-60.4	-41.4	174.4	-59.8	-178.1	0	0	0	111.8	A138 K140 E149 E150 R156 P157 Y160 D162 M163	A138-L153 HydrophobicContact CB-CB 4.36Å; K140-L153 HydrophobicContact CG-CD1 4.4Å; E149-L153 PolarHBondContact O-N 2.97Å; E149-L153 VanDerWaalsContact O-N 3.15Å; E150-L153 WeakPolarHBondContact O-CB 3.28Å; E150-L153 PolarHBondContact O-N 2.84Å; L153-R156 CarbonylContact O-C 3.58Å; L153-P157 VanDerWaalsContact O-CA 3.25Å; L153-P157 WeakPolarHBondContact O-CA 3.34Å; L153-P157 WeakPolarHBondContact O-CD 3.39Å; L153-Y160 HydrophobicContact CD2-CD1 3.89Å; L153-Y160 HydrophobicContact CD2-CD2 3.6Å; L153-Y160 HydrophobicContact CD2-CE2 4.26Å; L153-Y160 HydrophobicContact CD2-CG 3.39Å; L153-D162 HydrophobicContact CD1-CB 4.18Å; L153-D162 HydrophobicContact CD2-CB 4.43Å; L153-M163 HydrophobicContact CB-CG 3.84Å; L153-M163 HydrophobicContact CB-SD 4.2Å
154	F	95.7	Very high	92.4	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.009	16%	0.162	C	C	.	.	H	α-helix	trans	-65.3	-37.1	179	179.1	-96.3	0	0	0	113	Y100 R134 F135 A138 L146 E150 F151 T152	Y100-F154 HydrophobicContact CD1-CZ 4.28Å; Y100-F154 AromaticContact CD2-CE1 3.82Å; Y100-F154 HydrophobicContact CD2-CE1 3.82Å; Y100-F154 HydrophobicContact CD2-CZ 4.13Å; Y100-F154 HydrophobicContact CE1-CE1 4.49Å; Y100-F154 AromaticContact CE1-CZ 3.99Å; Y100-F154 HydrophobicContact CE1-CZ 3.99Å; Y100-F154 AromaticContact CE2-CE1 3.49Å; Y100-F154 HydrophobicContact CE2-CE1 3.49Å; Y100-F154 VanDerWaalsContact CE2-CE1 3.49Å; Y100-F154 AromaticContact CE2-CZ 3.82Å; Y100-F154 HydrophobicContact CE2-CZ 3.82Å; Y100-F154 HydrophobicContact CG-CE1 4.45Å; Y100-F154 HydrophobicContact CG-CZ 4.35Å; Y100-F154 AromaticContact CZ-CE1 3.87Å; Y100-F154 AromaticContact CZ-CZ 3.75Å; R134-F154 HydrophobicContact CB-CD2 4.2Å; R134-F154 HydrophobicContact CB-CE2 3.97Å; R134-F154 WeakPolarHBondContact CD-O 3.25Å; R134-F154 HydrophobicContact CG-CD2 3.69Å; R134-F154 HydrophobicContact CG-CE2 3.89Å; F135-F154 HydrophobicContact CB-CD2 4.3Å; F135-F154 HydrophobicContact CB-CE2 3.91Å; F135-F154 HydrophobicContact CD2-CE2 4.2Å; A138-F154 HydrophobicContact CB-CB 3.75Å; A138-F154 HydrophobicContact CB-CD2 4.31Å; L146-F154 HydrophobicContact CD1-CB 3.72Å; L146-F154 HydrophobicContact CD1-CD1 4.24Å; L146-F154 HydrophobicContact CD1-CD2 3.95Å; L146-F154 HydrophobicContact CD1-CG 3.71Å; E150-F154 WeakPolarHBondContact O-CB 3.28Å; E150-F154 PolarHBondContact O-N 3.19Å; F151-F154 HydrophobicContact CD2-CB 4.4Å; F151-F154 HydrophobicContact CD2-CD1 4Å; F151-F154 AromaticContact CE2-CD1 3.9Å; F151-F154 HydrophobicContact CE2-CD1 3.9Å; F151-F154 HydrophobicContact CE2-CE1 4.36Å; F151-F154 PolarHBondContact O-N 3.49Å; T152-F154 VanDerWaalsContact C-N 3.31Å; T152-F154 PolarHBondContact O-N 3.19Å
155	L	93	Very high	91.9	Very high	9 Å²	9	33.6 Å²	33.6	5%	0.047	17%	0.168	C	C	.	.	H	α-helix	trans	-81.9	-26.5	-179.2	-70.7	176.2	0	0	0	113.8	A80 Q83 F151 T152 P157	A80-L155 HydrophobicContact CB-CD1 4.02Å; Q83-L155 HydrophobicContact CB-CD1 3.88Å; Q83-L155 HydrophobicContact CG-CD1 3.88Å; F151-L155 HydrophobicContact CD1-CD1 3.92Å; F151-L155 HydrophobicContact CD2-CG 4.34Å; F151-L155 HydrophobicContact CE1-CD1 3.66Å; F151-L155 HydrophobicContact CE1-CG 4.3Å; F151-L155 HydrophobicContact CE2-CD1 4.35Å; F151-L155 HydrophobicContact CE2-CD2 4.16Å; F151-L155 HydrophobicContact CE2-CG 4.1Å; F151-L155 HydrophobicContact CG-CD1 4.38Å; F151-L155 HydrophobicContact CZ-CD1 3.88Å; F151-L155 HydrophobicContact CZ-CD2 4.06Å; F151-L155 HydrophobicContact CZ-CG 4.08Å; F151-L155 WeakPolarHBondContact O-CB 3.39Å; F151-L155 VanDerWaalsContact O-CG 3.26Å; F151-L155 WeakPolarHBondContact O-CG 3.04Å; F151-L155 PolarHBondContact O-N 3.36Å; T152-L155 PolarHBondContact O-N 3.15Å; L155-P157 VanDerWaalsContact C-CD 3.44Å
156	R	89.7	Confident	91.5	Very high	49 Å²	49	31.4 Å²	31.4	19%	0.185	16%	0.156	C	C	.	.			trans	-132.8	53.7	-178.5	-64.9	-67	-176.4	-85.6	-5.6	112.3	D76 H79 T152 L153 E158 N159 Y160	D76-R156 HydrophobicContact CB-CG 4.2Å; D76-R156 IonicContact OD1-NE 3.62Å; H79-R156 PolarHBondContact CD2-NH2 3.18Å; H79-R156 PolarHBondContact NE2-NH2 3.07Å; T152-R156 PolarHBondContact O-N 3.05Å; L153-R156 CarbonylContact O-C 3.58Å; R156-E158 VanDerWaalsContact C-OE2 3.27Å; R156-E158 WeakPolarHBondContact CA-OE2 3.4Å; R156-E158 WeakPolarHBondContact CD-OE1 3.38Å; R156-E158 PolarHBondContact O-N 3.02Å; R156-E158 VanDerWaalsContact O-N 3.15Å; R156-N159 HydrophobicContact CB-CB 4.21Å; R156-N159 WeakPolarHBondContact O-CB 3.37Å; R156-N159 PolarHBondContact O-N 2.61Å; R156-Y160 HydrophobicContact CB-CE2 4.12Å; R156-Y160 VanDerWaalsContact O-CD2 3.25Å; R156-Y160 WeakPolarHBondContact O-CD2 3.25Å
157	P	89.2	Confident	90.8	Very high	5 Å²	5	32.1 Å²	32.1	3%	0.032	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-58.9	-29.3	-176.8	27	-37.8	0	0	0	113.3	L153 L155 N159 M163 Y166 E167	L153-P157 VanDerWaalsContact O-CA 3.25Å; L153-P157 WeakPolarHBondContact O-CA 3.34Å; L153-P157 WeakPolarHBondContact O-CD 3.39Å; L155-P157 VanDerWaalsContact C-CD 3.44Å; P157-N159 PolarHBondContact O-N 3.04Å; P157-M163 HydrophobicContact CB-CB 3.67Å; P157-M163 HydrophobicContact CB-CE 3.91Å; P157-M163 HydrophobicContact CB-CG 4.01Å; P157-M163 VanDerWaalsContact O-CB 3.31Å; P157-M163 WeakPolarHBondContact O-CB 3.39Å; P157-Y166 HydrophobicContact CB-CD1 3.98Å; P157-Y166 HydrophobicContact CB-CE1 4.24Å; P157-Y166 HydrophobicContact CG-CD1 4.43Å; P157-Y166 HydrophobicContact CG-CE1 4.19Å; P157-E167 HydrophobicContact CB-CG 3.94Å; P157-E167 WeakPolarHBondContact CB-OE1 3.27Å; P157-E167 HydrophobicContact CG-CG 4.33Å; P157-E167 WeakPolarHBondContact CG-OE1 3.33Å
158	E	83.1	Confident	90	Very high	26 Å²	26	31.6 Å²	31.6	12%	0.121	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-62.4	-21.7	177.6	65	-88.4	-158.5	0	0	114.3	C10 R156	C10-E158 WeakPolarHBondContact SG-CG 3.46Å; C10-E158 PolarHBondContact SG-OE1 2.74Å; R156-E158 VanDerWaalsContact C-OE2 3.27Å; R156-E158 WeakPolarHBondContact CA-OE2 3.4Å; R156-E158 WeakPolarHBondContact CD-OE1 3.38Å; R156-E158 PolarHBondContact O-N 3.02Å; R156-E158 VanDerWaalsContact O-N 3.15Å
159	N	84.9	Confident	89.3	Confident	34 Å²	34	34.5 Å²	34.5	18%	0.182	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-92.7	-17.8	-170.7	-82.1	-6.3	0	0	0	113.1	D76 R156 P157 L230	D76-N159 PolarHBondContact OD2-ND2 3.19Å; R156-N159 HydrophobicContact CB-CB 4.21Å; R156-N159 WeakPolarHBondContact O-CB 3.37Å; R156-N159 PolarHBondContact O-N 2.61Å; P157-N159 PolarHBondContact O-N 3.04Å; N159-L230 HydrophobicContact CB-CD1 3.44Å; N159-L230 VanDerWaalsContact CB-CD1 3.44Å; N159-L230 HydrophobicContact CB-CG 3.78Å; N159-L230 WeakPolarHBondContact O-CD1 3.4Å
160	Y	87	Confident	88.7	Confident	36 Å²	36	31.8 Å²	31.8	14%	0.141	15%	0.154	C	C	.	.			trans	-123.3	131.3	-169.2	-59.9	-81.7	0	0	0	112.1	E73 D76 T152 L153 R156 D162 M163	E73-Y160 HydrophobicContact CG-CE1 4.34Å; D76-Y160 WeakPolarHBondContact CB-OH 3.49Å; T152-Y160 HydrophobicContact CG2-CE2 4.03Å; T152-Y160 WeakPolarHBondContact CG2-OH 3.41Å; L153-Y160 HydrophobicContact CD2-CD1 3.89Å; L153-Y160 HydrophobicContact CD2-CD2 3.6Å; L153-Y160 HydrophobicContact CD2-CE2 4.26Å; L153-Y160 HydrophobicContact CD2-CG 3.39Å; R156-Y160 HydrophobicContact CB-CE2 4.12Å; R156-Y160 VanDerWaalsContact O-CD2 3.25Å; R156-Y160 WeakPolarHBondContact O-CD2 3.25Å; Y160-D162 PolarHBondContact O-N 3.15Å; Y160-M163 PolarHBondContact O-N 3.28Å
161	E	86	Confident	87.8	Confident	113 Å²	113	32 Å²	32	53%	0.528	16%	0.157	S	C	.	.	G	3₁₀ helix	trans	-60.9	-28.7	178.4	-164.4	73	-163	0	0	111.7	M163 A164 R223	E161-M163 PolarHBondContact O-N 3.49Å; E161-M163 VanDerWaalsContact O-N 3.12Å; E161-A164 WeakPolarHBondContact O-CB 3.25Å; E161-A164 PolarHBondContact O-N 3.07Å; E161-R223 IonicContact OE1-NH1 3.46Å; E161-R223 PolarHBondContact OE1-NH1 2.91Å
162	D	88.3	Confident	86.9	Confident	100 Å²	100	33 Å²	33	54%	0.535	16%	0.162	S	C	.	.	G	3₁₀ helix	trans	-57.6	-24.6	174.7	-69.2	-80.2	0	0	0	114.1	K140 L153 Y160	K140-D162 PolarHBondContact NZ-O 2.9Å; L153-D162 HydrophobicContact CD1-CB 4.18Å; L153-D162 HydrophobicContact CD2-CB 4.43Å; Y160-D162 PolarHBondContact O-N 3.15Å
163	M	90.1	Very high	86	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-105	4.3	178.1	-66	-59.2	-72.8	0	0	112.4	R134 F137 A138 L153 P157 Y160 E161 N165 Y166 E167	R134-M163 HydrophobicContact CG-CE 4.02Å; F137-M163 VanDerWaalsContact C-SD 3.57Å; F137-M163 HydrophobicContact CB-CE 3.78Å; F137-M163 HydrophobicContact CB-SD 3.87Å; A138-M163 HydrophobicContact CB-CE 4.05Å; A138-M163 HydrophobicContact CB-SD 4.07Å; L153-M163 HydrophobicContact CB-CG 3.84Å; L153-M163 HydrophobicContact CB-SD 4.2Å; P157-M163 HydrophobicContact CB-CB 3.67Å; P157-M163 HydrophobicContact CB-CE 3.91Å; P157-M163 HydrophobicContact CB-CG 4.01Å; P157-M163 VanDerWaalsContact O-CB 3.31Å; P157-M163 WeakPolarHBondContact O-CB 3.39Å; Y160-M163 PolarHBondContact O-N 3.28Å; E161-M163 PolarHBondContact O-N 3.49Å; E161-M163 VanDerWaalsContact O-N 3.12Å; M163-N165 VanDerWaalsContact C-N 3.29Å; M163-N165 PolarHBondContact O-N 3.38Å; M163-Y166 HydrophobicContact CE-CD1 3.95Å; M163-Y166 HydrophobicContact CE-CG 4.17Å; M163-Y166 WeakPolarHBondContact O-CB 3.25Å; M163-Y166 PolarHBondContact O-N 2.87Å; M163-E167 PolarHBondContact O-N 3.4Å
164	A	85.8	Confident	85.1	Confident	4 Å²	4	38.6 Å²	38.6	3%	0.033	20%	0.203	C	C	.	.	H	α-helix	trans	-53.7	-46.7	-177.3	0	0	0	0	0	112.5	E161 Y166 E167 M168 L227	E161-A164 WeakPolarHBondContact O-CB 3.25Å; E161-A164 PolarHBondContact O-N 3.07Å; A164-Y166 VanDerWaalsContact C-N 3.29Å; A164-Y166 PolarHBondContact O-N 2.88Å; A164-E167 PolarHBondContact O-N 2.78Å; A164-M168 HydrophobicContact CB-CE 4.45Å; A164-M168 VanDerWaalsContact O-CB 3.26Å; A164-M168 WeakPolarHBondContact O-CB 3.47Å; A164-M168 WeakPolarHBondContact O-CG 3.21Å; A164-M168 PolarHBondContact O-N 3.06Å; A164-L227 HydrophobicContact CB-CD1 3.26Å
165	N	85.7	Confident	84.2	Confident	94 Å²	94	38.7 Å²	38.7	50%	0.503	20%	0.203	S	C	.	.	H	α-helix	trans	-63.4	-35.5	-179.5	-72.4	-25.2	0	0	0	112.6	F137 M163 M168 Q169	F137-N165 HydrophobicContact CD1-CB 4.37Å; F137-N165 HydrophobicContact CE1-CB 3.61Å; F137-N165 HydrophobicContact CZ-CB 4.33Å; M163-N165 VanDerWaalsContact C-N 3.29Å; M163-N165 PolarHBondContact O-N 3.38Å; N165-M168 WeakPolarHBondContact OD1-CE 3.05Å; N165-Q169 WeakPolarHBondContact O-CB 3.25Å; N165-Q169 VanDerWaalsContact O-CG 3.24Å; N165-Q169 WeakPolarHBondContact O-CG 3.39Å; N165-Q169 PolarHBondContact O-N 3.49Å
166	Y	88.6	Confident	83.7	Confident	3 Å²	3	39.1 Å²	39.1	1%	0.012	21%	0.206	C	C	.	.	H	α-helix	trans	-67.8	-51.8	175.3	165.5	-103.7	0	0	0	110.9	L133 R134 F137 P157 M163 A164 M168 Q169 K170	L133-Y166 HydrophobicContact CB-CE2 4.45Å; L133-Y166 HydrophobicContact CD2-CD2 4.34Å; L133-Y166 HydrophobicContact CD2-CE2 4.47Å; L133-Y166 HydrophobicContact CG-CD2 4.21Å; L133-Y166 HydrophobicContact CG-CE2 4.44Å; R134-Y166 HydrophobicContact CB-CD1 4.46Å; R134-Y166 HydrophobicContact CB-CD2 4.18Å; R134-Y166 HydrophobicContact CB-CE1 3.87Å; R134-Y166 HydrophobicContact CB-CE2 3.55Å; R134-Y166 HydrophobicContact CG-CD1 4.01Å; R134-Y166 HydrophobicContact CG-CE1 3.49Å; R134-Y166 VanDerWaalsContact CG-CE1 3.49Å; R134-Y166 HydrophobicContact CG-CE2 4.14Å; F137-Y166 HydrophobicContact CD2-CD2 4.33Å; P157-Y166 HydrophobicContact CB-CD1 3.98Å; P157-Y166 HydrophobicContact CB-CE1 4.24Å; P157-Y166 HydrophobicContact CG-CD1 4.43Å; P157-Y166 HydrophobicContact CG-CE1 4.19Å; M163-Y166 HydrophobicContact CE-CD1 3.95Å; M163-Y166 HydrophobicContact CE-CG 4.17Å; M163-Y166 WeakPolarHBondContact O-CB 3.25Å; M163-Y166 PolarHBondContact O-N 2.87Å; A164-Y166 VanDerWaalsContact C-N 3.29Å; A164-Y166 PolarHBondContact O-N 2.88Å; Y166-M168 VanDerWaalsContact C-N 3.27Å; Y166-M168 PolarHBondContact O-N 2.82Å; Y166-Q169 PolarHBondContact O-N 3.16Å; Y166-K170 HydrophobicContact CE1-CD 3.92Å; Y166-K170 HydrophobicContact CE2-CB 4.32Å; Y166-K170 WeakPolarHBondContact O-CB 3.42Å; Y166-K170 PolarHBondContact O-N 3.47Å
167	E	84.8	Confident	83.1	Confident	16 Å²	16	43.6 Å²	43.6	8%	0.075	23%	0.229	C	C	.	.	H	α-helix	trans	-62.5	-38	-179.9	-76.3	-58.8	137.4	0	0	111.7	P157 M163 A164 K170 S171 L227	P157-E167 HydrophobicContact CB-CG 3.94Å; P157-E167 WeakPolarHBondContact CB-OE1 3.27Å; P157-E167 HydrophobicContact CG-CG 4.33Å; P157-E167 WeakPolarHBondContact CG-OE1 3.33Å; M163-E167 PolarHBondContact O-N 3.4Å; A164-E167 PolarHBondContact O-N 2.78Å; E167-K170 IonicContact OE1-NZ 3.82Å; E167-K170 PolarHBondContact OE1-NZ 3.2Å; E167-K170 IonicContact OE2-NZ 2.76Å; E167-K170 PolarHBondContact OE2-NZ 2.92Å; E167-S171 WeakPolarHBondContact O-CB 3.29Å; E167-S171 PolarHBondContact O-N 3.29Å; E167-S171 PolarHBondContact O-OG 3.34Å; E167-L227 HydrophobicContact CB-CD2 3.93Å; E167-L227 HydrophobicContact CG-CD2 4.28Å
168	M	81.3	Confident	82.8	Confident	13 Å²	13	47.7 Å²	47.7	6%	0.064	25%	0.25	C	S	.	.	H	α-helix	trans	-61.5	-52	172.4	-75.3	-169.7	-59.8	0	0	111.4	A164 N165 Y166 S171 F172 L219 R223 L226 L227	A164-M168 HydrophobicContact CB-CE 4.45Å; A164-M168 VanDerWaalsContact O-CB 3.26Å; A164-M168 WeakPolarHBondContact O-CB 3.47Å; A164-M168 WeakPolarHBondContact O-CG 3.21Å; A164-M168 PolarHBondContact O-N 3.06Å; N165-M168 WeakPolarHBondContact OD1-CE 3.05Å; Y166-M168 VanDerWaalsContact C-N 3.27Å; Y166-M168 PolarHBondContact O-N 2.82Å; M168-S171 PolarHBondContact O-N 2.8Å; M168-F172 WeakPolarHBondContact O-CB 3.47Å; M168-F172 PolarHBondContact O-N 3.49Å; M168-L219 HydrophobicContact CB-CD2 4.02Å; M168-R223 HydrophobicContact SD-CB 3.79Å; M168-R223 HydrophobicContact SD-CG 3.66Å; M168-L226 HydrophobicContact CG-CD1 4.41Å; M168-L227 HydrophobicContact CG-CD1 4.13Å
169	Q	80.6	Confident	82.6	Confident	85 Å²	85	49.3 Å²	49.3	40%	0.397	27%	0.273	S	S	.	.	H	α-helix	trans	-61.3	-48.2	-179.7	-77.8	177	34.2	0	0	112.3	N165 Y166 S171 F172 S173	N165-Q169 WeakPolarHBondContact O-CB 3.25Å; N165-Q169 VanDerWaalsContact O-CG 3.24Å; N165-Q169 WeakPolarHBondContact O-CG 3.39Å; N165-Q169 PolarHBondContact O-N 3.49Å; Y166-Q169 PolarHBondContact O-N 3.16Å; Q169-S171 PolarHBondContact O-N 2.96Å; Q169-F172 PolarHBondContact O-N 2.83Å; Q169-S173 WeakPolarHBondContact O-CB 3.26Å; Q169-S173 PolarHBondContact O-N 3.18Å; Q169-S173 PolarHBondContact O-OG 2.87Å; Q169-S173 VanDerWaalsContact O-OG 3.12Å
170	K	83	Confident	82.4	Confident	39 Å²	39	51.9 Å²	51.9	17%	0.17	29%	0.287	C	S	.	.	H	α-helix	trans	-57.4	-48.1	178.2	178.2	-156	-172.2	-173	0	111.7	Y166 E167 S174	Y166-K170 HydrophobicContact CE1-CD 3.92Å; Y166-K170 HydrophobicContact CE2-CB 4.32Å; Y166-K170 WeakPolarHBondContact O-CB 3.42Å; Y166-K170 PolarHBondContact O-N 3.47Å; E167-K170 IonicContact OE1-NZ 3.82Å; E167-K170 PolarHBondContact OE1-NZ 3.2Å; E167-K170 IonicContact OE2-NZ 2.76Å; E167-K170 PolarHBondContact OE2-NZ 2.92Å; K170-S174 PolarHBondContact O-N 3.33Å
171	S	78.7	Confident	82	Confident	17 Å²	17	52.5 Å²	52.5	12%	0.119	30%	0.304	C	S	.	.	H	α-helix	trans	-65.6	-44.3	177.1	-56.3	0	0	0	0	110.5	E167 M168 Q169 S173 S174 F175 L226	E167-S171 WeakPolarHBondContact O-CB 3.29Å; E167-S171 PolarHBondContact O-N 3.29Å; E167-S171 PolarHBondContact O-OG 3.34Å; M168-S171 PolarHBondContact O-N 2.8Å; Q169-S171 PolarHBondContact O-N 2.96Å; S171-S173 PolarHBondContact O-N 3.01Å; S171-S174 WeakPolarHBondContact O-CA 3.36Å; S171-S174 WeakPolarHBondContact O-CB 3.32Å; S171-S174 PolarHBondContact O-N 3.04Å; S171-S174 PolarHBondContact O-OG 3.13Å; S171-F175 WeakPolarHBondContact O-CD2 3.37Å; S171-F175 PolarHBondContact O-N 3.45Å; S171-L226 VanDerWaalsContact CB-CD1 3.5Å; S171-L226 WeakPolarHBondContact OG-CD2 3.16Å
172	F	78.4	Confident	81.7	Confident	21 Å²	21	51.6 Å²	51.6	9%	0.092	30%	0.301	C	S	.	.	H	α-helix	trans	-59.2	-47.8	-179.5	-163.8	-84.4	0	0	0	111.6	M168 Q169 S174 F175 D176 G181 I183 L219	M168-F172 WeakPolarHBondContact O-CB 3.47Å; M168-F172 PolarHBondContact O-N 3.49Å; Q169-F172 PolarHBondContact O-N 2.83Å; F172-S174 PolarHBondContact O-N 3.29Å; F172-F175 PolarHBondContact O-N 2.85Å; F172-D176 HydrophobicContact CD1-CB 3.88Å; F172-D176 HydrophobicContact CE1-CB 3.59Å; F172-D176 WeakPolarHBondContact CE1-OD2 3.45Å; F172-D176 HydrophobicContact CZ-CB 4.34Å; F172-D176 WeakPolarHBondContact O-CB 3.29Å; F172-D176 PolarHBondContact O-N 2.85Å; F172-G181 VanDerWaalsContact CZ-O 3.28Å; F172-G181 WeakPolarHBondContact CZ-O 3.29Å; F172-I183 HydrophobicContact CD2-CD1 3.34Å; F172-I183 HydrophobicContact CD2-CG1 4.08Å; F172-I183 HydrophobicContact CE1-CG1 4.48Å; F172-I183 HydrophobicContact CE2-CD1 3.43Å; F172-I183 VanDerWaalsContact CE2-CD1 3.43Å; F172-I183 HydrophobicContact CE2-CG1 3.71Å; F172-I183 HydrophobicContact CG-CD1 3.96Å; F172-I183 HydrophobicContact CZ-CD1 4.09Å; F172-I183 HydrophobicContact CZ-CG1 3.91Å; F172-L219 HydrophobicContact CB-CD2 3.69Å; F172-L219 HydrophobicContact CD2-CD2 3.28Å; F172-L219 HydrophobicContact CD2-CG 3.67Å; F172-L219 HydrophobicContact CE2-CD2 4.1Å; F172-L219 HydrophobicContact CE2-CG 3.98Å; F172-L219 HydrophobicContact CG-CD2 3.64Å; F172-L219 HydrophobicContact CG-CG 4.29Å
173	S	78.4	Confident	81.4	Confident	93 Å²	93	46.8 Å²	46.8	65%	0.65	28%	0.276	S	S	*	.	H	α-helix	trans	-62.8	-21.3	175.2	-61.5	0	0	0	0	113.9	Q169 S171	Q169-S173 WeakPolarHBondContact O-CB 3.26Å; Q169-S173 PolarHBondContact O-N 3.18Å; Q169-S173 PolarHBondContact O-OG 2.87Å; Q169-S173 VanDerWaalsContact O-OG 3.12Å; S171-S173 PolarHBondContact O-N 3.01Å
174	S	75.1	Confident	81.1	Confident	52 Å²	52	49 Å²	49	36%	0.364	29%	0.289	S	S	.	.	H	α-helix	trans	-81.6	-26.1	174.8	80.2	0	0	0	0	113.4	K170 S171 F172	K170-S174 PolarHBondContact O-N 3.33Å; S171-S174 WeakPolarHBondContact O-CA 3.36Å; S171-S174 WeakPolarHBondContact O-CB 3.32Å; S171-S174 PolarHBondContact O-N 3.04Å; S171-S174 PolarHBondContact O-OG 3.13Å; F172-S174 PolarHBondContact O-N 3.29Å
175	F	76.7	Confident	80.9	Confident	4 Å²	4	52.6 Å²	52.6	2%	0.018	30%	0.304	C	S	.	.	H	α-helix	trans	-93.8	-44.2	177.9	-71	-71.2	0	0	0	112.3	S171 F172 Q177 I183 E187 F188 F191 W225	S171-F175 WeakPolarHBondContact O-CD2 3.37Å; S171-F175 PolarHBondContact O-N 3.45Å; F172-F175 PolarHBondContact O-N 2.85Å; F175-Q177 VanDerWaalsContact C-N 3.3Å; F175-Q177 PolarHBondContact O-N 3.3Å; F175-I183 HydrophobicContact CB-CD1 3.52Å; F175-I183 HydrophobicContact CB-CG1 3.75Å; F175-I183 HydrophobicContact CB-CG2 3.99Å; F175-I183 HydrophobicContact CD2-CD1 4.28Å; F175-I183 HydrophobicContact CG-CD1 4.21Å; F175-E187 WeakPolarHBondContact O-CB 3.17Å; F175-F188 AromaticContact CD1-CD2 3.93Å; F175-F188 HydrophobicContact CD1-CD2 3.93Å; F175-F188 HydrophobicContact CD1-CE2 4.47Å; F175-F188 AromaticContact CE1-CD2 3.83Å; F175-F188 HydrophobicContact CE1-CD2 3.83Å; F175-F188 AromaticContact CE1-CE2 3.98Å; F175-F188 HydrophobicContact CE1-CE2 3.98Å; F175-F188 HydrophobicContact CG-CD2 4.44Å; F175-F188 HydrophobicContact CZ-CD2 4.31Å; F175-F188 HydrophobicContact CZ-CE2 4.03Å; F175-F191 HydrophobicContact CD1-CB 3.78Å; F175-F191 AromaticContact CD1-CD2 3.63Å; F175-F191 HydrophobicContact CD1-CD2 3.63Å; F175-F191 HydrophobicContact CD1-CE2 4.37Å; F175-F191 AromaticContact CD1-CG 3.78Å; F175-F191 HydrophobicContact CD1-CG 3.78Å; F175-F191 HydrophobicContact CE1-CB 3.51Å; F175-F191 AromaticContact CE1-CD1 3.79Å; F175-F191 HydrophobicContact CE1-CD1 3.79Å; F175-F191 AromaticContact CE1-CD2 3.54Å; F175-F191 HydrophobicContact CE1-CD2 3.54Å; F175-F191 HydrophobicContact CE1-CE1 4.37Å; F175-F191 HydrophobicContact CE1-CE2 4.16Å; F175-F191 AromaticContact CE1-CG 3.32Å; F175-F191 HydrophobicContact CE1-CG 3.32Å; F175-F191 HydrophobicContact CG-CD2 4.41Å; F175-F191 HydrophobicContact CZ-CD1 4.23Å; F175-F191 HydrophobicContact CZ-CD2 4.24Å; F175-F191 HydrophobicContact CZ-CE1 4.41Å; F175-F191 HydrophobicContact CZ-CE2 4.43Å; F175-F191 HydrophobicContact CZ-CG 4.13Å; F175-W225 AromaticContact CE2-CZ3 3.99Å; F175-W225 HydrophobicContact CE2-CZ3 3.99Å; F175-W225 HydrophobicContact CZ-CH2 4Å; F175-W225 AromaticContact CZ-CZ3 3.79Å; F175-W225 HydrophobicContact CZ-CZ3 3.79Å
176	D	82.2	Confident	80.7	Confident	18 Å²	18	53.4 Å²	53.4	10%	0.096	31%	0.308	C	S	.	.			trans	-75.1	79.3	179.8	-179	11.5	0	0	0	110.6	F172 N178 G179 D180 G181 I183	F172-D176 HydrophobicContact CD1-CB 3.88Å; F172-D176 HydrophobicContact CE1-CB 3.59Å; F172-D176 WeakPolarHBondContact CE1-OD2 3.45Å; F172-D176 HydrophobicContact CZ-CB 4.34Å; F172-D176 WeakPolarHBondContact O-CB 3.29Å; F172-D176 PolarHBondContact O-N 2.85Å; D176-N178 PolarHBondContact O-N 3.17Å; D176-N178 PolarHBondContact OD1-N 3.3Å; D176-N178 PolarHBondContact OD1-OD1 2.84Å; D176-G179 WeakPolarHBondContact OD1-CA 3.49Å; D176-G179 PolarHBondContact OD1-N 3.16Å; D176-G179 VanDerWaalsContact OD2-CA 3.29Å; D176-G179 WeakPolarHBondContact OD2-CA 3.19Å; D176-D180 PolarHBondContact OD1-N 3Å; D176-D180 PolarHBondContact OD2-N 3.17Å; D176-G181 WeakPolarHBondContact OD2-CA 3.33Å; D176-G181 PolarHBondContact OD2-N 3.34Å; D176-I183 HydrophobicContact CB-CG1 4.25Å
177	Q	77.6	Confident	80.5	Confident	143 Å²	143	54.1 Å²	54.1	67%	0.668	31%	0.312	S	S	*	.	S	Bend	trans	-68.7	-25.9	-178.8	-66.7	-173.3	-1.2	0	0	112.6	F175	F175-Q177 VanDerWaalsContact C-N 3.3Å; F175-Q177 PolarHBondContact O-N 3.3Å
178	N	81.3	Confident	80.1	Confident	91 Å²	91	53.3 Å²	53.3	49%	0.487	31%	0.308	S	S	.	.	S	Bend	trans	-94.8	-16.7	-174.1	83.4	40.6	0	0	0	112.4	D176 D180 E187	D176-N178 PolarHBondContact O-N 3.17Å; D176-N178 PolarHBondContact OD1-N 3.3Å; D176-N178 PolarHBondContact OD1-OD1 2.84Å; N178-D180 PolarHBondContact ND2-OD2 2.86Å; N178-D180 WeakPolarHBondContact OD1-CA 3.43Å; N178-D180 WeakPolarHBondContact OD1-CB 3.43Å; N178-D180 PolarHBondContact OD1-N 3.14Å; N178-D180 PolarHBondContact OD1-OD1 3.43Å; N178-D180 PolarHBondContact OD1-OD2 3.36Å; N178-E187 VanDerWaalsContact CG-OE1 3.26Å; N178-E187 PolarHBondContact ND2-OE1 2.95Å
179	G	79.1	Confident	79.7	Confident	59 Å²	59	53.6 Å²	53.6	61%	0.608	31%	0.31	S	S	*	.			trans	76.3	19.7	175.7	0	0	0	0	0	114.5	D176 G181	D176-G179 WeakPolarHBondContact OD1-CA 3.49Å; D176-G179 PolarHBondContact OD1-N 3.16Å; D176-G179 VanDerWaalsContact OD2-CA 3.29Å; D176-G179 WeakPolarHBondContact OD2-CA 3.19Å; G179-G181 PolarHBondContact O-N 2.94Å
180	D	82	Confident	79.1	Confident	89 Å²	89	54.1 Å²	54.1	48%	0.476	32%	0.316	S	S	.	.	S	Bend	trans	-82.6	-1.1	-179.2	71.1	7	0	0	0	113.4	D176 N178 M182	D176-D180 PolarHBondContact OD1-N 3Å; D176-D180 PolarHBondContact OD2-N 3.17Å; N178-D180 PolarHBondContact ND2-OD2 2.86Å; N178-D180 WeakPolarHBondContact OD1-CA 3.43Å; N178-D180 WeakPolarHBondContact OD1-CB 3.43Å; N178-D180 PolarHBondContact OD1-N 3.14Å; N178-D180 PolarHBondContact OD1-OD1 3.43Å; N178-D180 PolarHBondContact OD1-OD2 3.36Å; D180-M182 VanDerWaalsContact C-N 3.3Å; D180-M182 WeakPolarHBondContact OD1-CA 3.39Å; D180-M182 WeakPolarHBondContact OD1-CB 3.18Å; D180-M182 PolarHBondContact OD1-N 3.34Å; D180-M182 VanDerWaalsContact OD1-O 3.1Å
181	G	77.2	Confident	78.1	Confident	48 Å²	48	53.8 Å²	53.8	50%	0.495	32%	0.315	S	S	.	.	S	Bend	trans	78.1	16.3	179.9	0	0	0	0	0	113	F172 D176 G179	F172-G181 VanDerWaalsContact CZ-O 3.28Å; F172-G181 WeakPolarHBondContact CZ-O 3.29Å; D176-G181 WeakPolarHBondContact OD2-CA 3.33Å; D176-G181 PolarHBondContact OD2-N 3.34Å; G179-G181 PolarHBondContact O-N 2.94Å
182	M	80.2	Confident	76.8	Confident	94 Å²	94	57 Å²	57	46%	0.463	34%	0.337	S	S	.	.			trans	-132.2	138.9	177.5	-65	-168.5	-180	0	0	110.4	D180 I216	D180-M182 VanDerWaalsContact C-N 3.3Å; D180-M182 WeakPolarHBondContact OD1-CA 3.39Å; D180-M182 WeakPolarHBondContact OD1-CB 3.18Å; D180-M182 PolarHBondContact OD1-N 3.34Å; D180-M182 VanDerWaalsContact OD1-O 3.1Å; M182-I216 HydrophobicContact CB-CG2 3.62Å; M182-I216 HydrophobicContact CG-CG2 4.03Å; M182-I216 HydrophobicContact SD-CD1 3.82Å; M182-I216 HydrophobicContact SD-CG2 4.2Å
183	I	82.1	Confident	75.3	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	103.2	173.3	-66.8	163.1	0	0	0	108.3	F172 F175 D176 E187 F188 L217 L222	F172-I183 HydrophobicContact CD2-CD1 3.34Å; F172-I183 HydrophobicContact CD2-CG1 4.08Å; F172-I183 HydrophobicContact CE1-CG1 4.48Å; F172-I183 HydrophobicContact CE2-CD1 3.43Å; F172-I183 VanDerWaalsContact CE2-CD1 3.43Å; F172-I183 HydrophobicContact CE2-CG1 3.71Å; F172-I183 HydrophobicContact CG-CD1 3.96Å; F172-I183 HydrophobicContact CZ-CD1 4.09Å; F172-I183 HydrophobicContact CZ-CG1 3.91Å; F175-I183 HydrophobicContact CB-CD1 3.52Å; F175-I183 HydrophobicContact CB-CG1 3.75Å; F175-I183 HydrophobicContact CB-CG2 3.99Å; F175-I183 HydrophobicContact CD2-CD1 4.28Å; F175-I183 HydrophobicContact CG-CD1 4.21Å; D176-I183 HydrophobicContact CB-CG1 4.25Å; I183-E187 HydrophobicContact CG2-CB 4.36Å; I183-F188 HydrophobicContact CG2-CB 3.87Å; I183-F188 HydrophobicContact CG2-CD2 4.13Å; I183-F188 HydrophobicContact CG2-CG 4.49Å; I183-L217 HydrophobicContact CB-CB 4.37Å; I183-L217 PolarHBondContact O-N 2.84Å; I183-L222 HydrophobicContact CD1-CD1 3.32Å
184	T	84.2	Confident	73.4	Confident	46 Å²	46	65.3 Å²	65.3	28%	0.282	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	158.9	173.9	63.2	0	0	0	0	110.9	D186 E187 F188	T184-D186 PolarHBondContact O-N 3.05Å; T184-E187 WeakPolarHBondContact CB-OE2 3.03Å; T184-E187 WeakPolarHBondContact CG2-OE2 3.32Å; T184-E187 PolarHBondContact N-OE2 3.04Å; T184-E187 WeakPolarHBondContact O-CB 3.5Å; T184-E187 PolarHBondContact O-N 3.2Å; T184-E187 VanDerWaalsContact O-N 3.14Å; T184-E187 VanDerWaalsContact OG1-CD 3.3Å; T184-E187 WeakPolarHBondContact OG1-CG 3.31Å; T184-E187 PolarHBondContact OG1-N 3.01Å; T184-E187 PolarHBondContact OG1-OE2 3.13Å; T184-F188 PolarHBondContact O-N 3.04Å
185	K	81.7	Confident	71.9	Confident	80 Å²	80	65.9 Å²	65.9	35%	0.348	37%	0.369	S	S	.	.	H	α-helix	trans	-53.1	-43	174	-176.1	-179.1	175.6	-173.5	0	112.5	E187 F188 T189 H203 F206	K185-E187 VanDerWaalsContact C-N 3.35Å; K185-F188 PolarHBondContact O-N 3.02Å; K185-T189 HydrophobicContact CG-CG2 4.33Å; K185-T189 WeakPolarHBondContact O-CG2 3.44Å; K185-T189 PolarHBondContact O-N 3.25Å; K185-T189 PolarHBondContact O-OG1 3.25Å; K185-H203 WeakPolarHBondContact CE-CD2 3.46Å; K185-H203 PolarHBondContact NZ-CD2 3.48Å; K185-H203 PolarHBondContact NZ-NE2 2.62Å; K185-F206 VanDerWaalsContact CA-CE2 3.44Å; K185-F206 HydrophobicContact CB-CD1 4.46Å; K185-F206 HydrophobicContact CB-CD2 4.37Å; K185-F206 HydrophobicContact CB-CE1 4.09Å; K185-F206 HydrophobicContact CB-CE2 3.97Å; K185-F206 HydrophobicContact CB-CZ 3.84Å; K185-F206 HydrophobicContact CG-CD1 4.3Å; K185-F206 HydrophobicContact CG-CD2 4.45Å; K185-F206 HydrophobicContact CG-CE1 4.41Å; K185-F206 HydrophobicContact CG-CG 4.34Å
186	D	82	Confident	70.4	Confident	111 Å²	111	70.2 Å²	70.2	59%	0.594	40%	0.395	S	S	*	.	H	α-helix	trans	-64.9	-40.2	-179.5	-73.4	-17.8	0	0	0	111.1	T184 N190	T184-D186 PolarHBondContact O-N 3.05Å; D186-N190 WeakPolarHBondContact O-CA 3.46Å; D186-N190 WeakPolarHBondContact O-CB 3.39Å; D186-N190 VanDerWaalsContact O-CG 3.25Å; D186-N190 PolarHBondContact O-N 3.22Å; D186-N190 PolarHBondContact O-ND2 3.12Å; D186-N190 VanDerWaalsContact O-ND2 3.08Å
187	E	82.8	Confident	69.1	Low	17 Å²	17	74.3 Å²	74.3	8%	0.079	43%	0.425	C	S	.	.	H	α-helix	trans	-63.4	-44.2	173.4	-79.5	160.4	155.4	0	0	112.3	F175 N178 I183 T184 K185 F191	F175-E187 WeakPolarHBondContact O-CB 3.17Å; N178-E187 VanDerWaalsContact CG-OE1 3.26Å; N178-E187 PolarHBondContact ND2-OE1 2.95Å; I183-E187 HydrophobicContact CG2-CB 4.36Å; T184-E187 WeakPolarHBondContact CB-OE2 3.03Å; T184-E187 WeakPolarHBondContact CG2-OE2 3.32Å; T184-E187 PolarHBondContact N-OE2 3.04Å; T184-E187 WeakPolarHBondContact O-CB 3.5Å; T184-E187 PolarHBondContact O-N 3.2Å; T184-E187 VanDerWaalsContact O-N 3.14Å; T184-E187 VanDerWaalsContact OG1-CD 3.3Å; T184-E187 WeakPolarHBondContact OG1-CG 3.31Å; T184-E187 PolarHBondContact OG1-N 3.01Å; T184-E187 PolarHBondContact OG1-OE2 3.13Å; K185-E187 VanDerWaalsContact C-N 3.35Å; E187-F191 PolarHBondContact O-N 3.18Å
188	F	78	Confident	68.3	Low	0 Å²	0	71.2 Å²	71.2	0%	0	41%	0.411	C	S	.	.	H	α-helix	trans	-65.3	-43.4	179	-166.4	-102	0	0	0	112.4	F175 I183 T184 K185 F191 L202 Q205 F206 L217 L222 W225	F175-F188 AromaticContact CD1-CD2 3.93Å; F175-F188 HydrophobicContact CD1-CD2 3.93Å; F175-F188 HydrophobicContact CD1-CE2 4.47Å; F175-F188 AromaticContact CE1-CD2 3.83Å; F175-F188 HydrophobicContact CE1-CD2 3.83Å; F175-F188 AromaticContact CE1-CE2 3.98Å; F175-F188 HydrophobicContact CE1-CE2 3.98Å; F175-F188 HydrophobicContact CG-CD2 4.44Å; F175-F188 HydrophobicContact CZ-CD2 4.31Å; F175-F188 HydrophobicContact CZ-CE2 4.03Å; I183-F188 HydrophobicContact CG2-CB 3.87Å; I183-F188 HydrophobicContact CG2-CD2 4.13Å; I183-F188 HydrophobicContact CG2-CG 4.49Å; T184-F188 PolarHBondContact O-N 3.04Å; K185-F188 PolarHBondContact O-N 3.02Å; F188-F191 VanDerWaalsContact O-CB 3.29Å; F188-F191 WeakPolarHBondContact O-CB 3.44Å; F188-L202 HydrophobicContact CD1-CB 4.15Å; F188-L202 HydrophobicContact CE1-CB 4.03Å; F188-L202 HydrophobicContact CE1-CD2 3.97Å; F188-L202 VanDerWaalsContact CE1-O 3.25Å; F188-L202 WeakPolarHBondContact CE1-O 3.29Å; F188-L202 HydrophobicContact CZ-CD2 4.28Å; F188-Q205 HydrophobicContact CE1-CB 4.18Å; F188-Q205 HydrophobicContact CZ-CB 4.43Å; F188-F206 HydrophobicContact CB-CD2 3.71Å; F188-F206 HydrophobicContact CB-CE2 4.16Å; F188-F206 HydrophobicContact CD1-CB 3.84Å; F188-F206 AromaticContact CD1-CD2 3.8Å; F188-F206 HydrophobicContact CD1-CD2 3.8Å; F188-F206 HydrophobicContact CD1-CG 4.34Å; F188-F206 HydrophobicContact CE1-CB 4.13Å; F188-F206 AromaticContact CG-CD2 3.82Å; F188-F206 HydrophobicContact CG-CD2 3.82Å; F188-L217 HydrophobicContact CD2-CD1 3.88Å; F188-L217 HydrophobicContact CE2-CD1 4.03Å; F188-L217 HydrophobicContact CG-CD1 4.17Å; F188-L217 HydrophobicContact CZ-CD1 4.43Å; F188-L222 HydrophobicContact CE2-CD2 3.84Å; F188-W225 HydrophobicContact CE2-CE3 4.38Å; F188-W225 HydrophobicContact CE2-CH2 4.27Å; F188-W225 AromaticContact CE2-CZ3 3.98Å; F188-W225 HydrophobicContact CE2-CZ3 3.98Å; F188-W225 HydrophobicContact CZ-CE3 4.39Å; F188-W225 HydrophobicContact CZ-CH2 4.06Å; F188-W225 HydrophobicContact CZ-CZ2 4.29Å; F188-W225 HydrophobicContact CZ-CZ3 4.1Å
189	T	71.6	Confident	67.5	Low	18 Å²	18	72 Å²	72	11%	0.11	41%	0.412	C	S	.	.	H	α-helix	trans	-82.8	-29	-177.9	56.8	0	0	0	0	113.5	K185 F191 L202 H203	K185-T189 HydrophobicContact CG-CG2 4.33Å; K185-T189 WeakPolarHBondContact O-CG2 3.44Å; K185-T189 PolarHBondContact O-N 3.25Å; K185-T189 PolarHBondContact O-OG1 3.25Å; T189-F191 PolarHBondContact O-N 2.97Å; T189-L202 HydrophobicContact CG2-CB 4.32Å; T189-H203 HydrophobicContact CG2-CB 4.43Å
190	N	68.5	Low	67.1	Low	97 Å²	97	75.7 Å²	75.7	52%	0.519	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	5.8	172	-71.5	-40.5	0	0	0	112.8	D186 S192	D186-N190 WeakPolarHBondContact O-CA 3.46Å; D186-N190 WeakPolarHBondContact O-CB 3.39Å; D186-N190 VanDerWaalsContact O-CG 3.25Å; D186-N190 PolarHBondContact O-N 3.22Å; D186-N190 PolarHBondContact O-ND2 3.12Å; D186-N190 VanDerWaalsContact O-ND2 3.08Å; N190-S192 PolarHBondContact O-N 2.92Å
191	F	62.1	Low	66.7	Low	32 Å²	32	74 Å²	74	14%	0.14	40%	0.404	C	S	.	.			trans	-61.6	82	163.9	-170.2	-100.7	0	0	0	109.8	F175 E187 F188 T189 Y193	F175-F191 HydrophobicContact CD1-CB 3.78Å; F175-F191 AromaticContact CD1-CD2 3.63Å; F175-F191 HydrophobicContact CD1-CD2 3.63Å; F175-F191 HydrophobicContact CD1-CE2 4.37Å; F175-F191 AromaticContact CD1-CG 3.78Å; F175-F191 HydrophobicContact CD1-CG 3.78Å; F175-F191 HydrophobicContact CE1-CB 3.51Å; F175-F191 AromaticContact CE1-CD1 3.79Å; F175-F191 HydrophobicContact CE1-CD1 3.79Å; F175-F191 AromaticContact CE1-CD2 3.54Å; F175-F191 HydrophobicContact CE1-CD2 3.54Å; F175-F191 HydrophobicContact CE1-CE1 4.37Å; F175-F191 HydrophobicContact CE1-CE2 4.16Å; F175-F191 AromaticContact CE1-CG 3.32Å; F175-F191 HydrophobicContact CE1-CG 3.32Å; F175-F191 HydrophobicContact CG-CD2 4.41Å; F175-F191 HydrophobicContact CZ-CD1 4.23Å; F175-F191 HydrophobicContact CZ-CD2 4.24Å; F175-F191 HydrophobicContact CZ-CE1 4.41Å; F175-F191 HydrophobicContact CZ-CE2 4.43Å; F175-F191 HydrophobicContact CZ-CG 4.13Å; E187-F191 PolarHBondContact O-N 3.18Å; F188-F191 VanDerWaalsContact O-CB 3.29Å; F188-F191 WeakPolarHBondContact O-CB 3.44Å; T189-F191 PolarHBondContact O-N 2.97Å; F191-Y193 AromaticContact CE1-CD2 3.6Å; F191-Y193 HydrophobicContact CE1-CD2 3.6Å; F191-Y193 HydrophobicContact CE1-CE2 4.46Å; F191-Y193 AromaticContact CE1-CG 3.91Å; F191-Y193 HydrophobicContact CE1-CG 3.91Å; F191-Y193 HydrophobicContact CE2-CD2 4.01Å; F191-Y193 HydrophobicContact CE2-CE2 4.42Å; F191-Y193 AromaticContact CZ-CD2 3.28Å; F191-Y193 HydrophobicContact CZ-CD2 3.28Å; F191-Y193 AromaticContact CZ-CE2 3.77Å; F191-Y193 HydrophobicContact CZ-CE2 3.77Å; F191-Y193 HydrophobicContact CZ-CG 4.05Å; F191-Y193 PolarHBondContact O-N 3.23Å
192	S	51.1	Low	66.5	Low	83 Å²	83	72.2 Å²	72.2	58%	0.58	38%	0.384	S	S	*	.			trans	-88.4	89	178	178.5	0	0	0	0	107.8	N190 R194	N190-S192 PolarHBondContact O-N 2.92Å; S192-R194 PolarHBondContact O-N 3.37Å
193	Y	47.7	Very low	66.3	Low	108 Å²	108	71.4 Å²	71.4	42%	0.424	38%	0.378	S	S	.	.	S	Bend	trans	-85.7	102.2	171.4	-135.2	-108.7	0	0	0	109.4	F12 F191 G195	F12-Y193 HydrophobicContact CB-CE1 4.07Å; F12-Y193 HydrophobicContact CD1-CD1 4.22Å; F12-Y193 AromaticContact CD1-CE1 3.25Å; F12-Y193 HydrophobicContact CD1-CE1 3.25Å; F12-Y193 AromaticContact CD1-CZ 3.92Å; F12-Y193 AromaticContact CE1-CD1 4Å; F12-Y193 HydrophobicContact CE1-CD1 4Å; F12-Y193 AromaticContact CE1-CE1 3.39Å; F12-Y193 HydrophobicContact CE1-CE1 3.39Å; F12-Y193 AromaticContact CG-CE1 3.83Å; F12-Y193 HydrophobicContact CG-CE1 3.83Å; F12-Y193 HydrophobicContact CZ-CD1 4.37Å; F12-Y193 HydrophobicContact CZ-CE1 4.14Å; F191-Y193 AromaticContact CE1-CD2 3.6Å; F191-Y193 HydrophobicContact CE1-CD2 3.6Å; F191-Y193 HydrophobicContact CE1-CE2 4.46Å; F191-Y193 AromaticContact CE1-CG 3.91Å; F191-Y193 HydrophobicContact CE1-CG 3.91Å; F191-Y193 HydrophobicContact CE2-CD2 4.01Å; F191-Y193 HydrophobicContact CE2-CE2 4.42Å; F191-Y193 AromaticContact CZ-CD2 3.28Å; F191-Y193 HydrophobicContact CZ-CD2 3.28Å; F191-Y193 AromaticContact CZ-CE2 3.77Å; F191-Y193 HydrophobicContact CZ-CE2 3.77Å; F191-Y193 HydrophobicContact CZ-CG 4.05Å; F191-Y193 PolarHBondContact O-N 3.23Å; Y193-G195 PolarHBondContact O-N 2.95Å
194	R	37.8	Very low	66.3	Low	181 Å²	181	77.7 Å²	77.7	68%	0.683	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.3	36.6	-178.3	-63.7	-155.3	-177.3	149.7	5.1	116.4	F12 S192 V196	F12-R194 HydrophobicContact CE1-CG 4.19Å; F12-R194 VanDerWaalsContact CE1-NE 3.28Å; F12-R194 VanDerWaalsContact CZ-CD 3.45Å; F12-R194 HydrophobicContact CZ-CG 3.89Å; S192-R194 PolarHBondContact O-N 3.37Å; R194-V196 VanDerWaalsContact C-N 3.32Å; R194-V196 PolarHBondContact O-N 3Å
195	G	44.6	Very low	66.1	Low	65 Å²	65	77.1 Å²	77.1	67%	0.67	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.6	13.8	163.4	0	0	0	0	0	116.2	Y193	Y193-G195 PolarHBondContact O-N 2.95Å
196	V	44.7	Very low	66.1	Low	94 Å²	94	73.6 Å²	73.6	57%	0.57	39%	0.387	S	S	*	.			trans	-94.4	108.7	166.3	-176.6	0	0	0	0	107.5	R194 Q198	R194-V196 VanDerWaalsContact C-N 3.32Å; R194-V196 PolarHBondContact O-N 3Å; V196-Q198 HydrophobicContact CG1-CG 4.25Å; V196-Q198 PolarHBondContact O-N 3.42Å; V196-Q198 VanDerWaalsContact O-N 3.14Å
197	S	54.3	Low	66.3	Low	104 Å²	104	72.4 Å²	72.4	73%	0.727	38%	0.384	S	S	*	.			trans	-71	111.8	174.2	71.6	0	0	0	0	109.3	E199	S197-E199 VanDerWaalsContact C-N 3.28Å
198	Q	61.5	Low	66.4	Low	79 Å²	79	75 Å²	75	37%	0.369	40%	0.403	S	S	.	.			trans	-101.8	29.9	169.9	-67.6	-179.7	21	0	0	110.4	V196 N200 Y201 L202	V196-Q198 HydrophobicContact CG1-CG 4.25Å; V196-Q198 PolarHBondContact O-N 3.42Å; V196-Q198 VanDerWaalsContact O-N 3.14Å; Q198-N200 VanDerWaalsContact C-N 3.25Å; Q198-N200 PolarHBondContact O-N 3.35Å; Q198-N200 VanDerWaalsContact O-N 3.13Å; Q198-Y201 PolarHBondContact O-N 3.28Å; Q198-L202 HydrophobicContact CB-CD1 4.43Å; Q198-L202 HydrophobicContact CB-CG 4.29Å; Q198-L202 PolarHBondContact O-N 3.14Å
199	E	65.1	Low	66.7	Low	108 Å²	108	75.8 Å²	75.8	51%	0.505	41%	0.408	S	S	.	.	H	α-helix	trans	-52.4	-43.1	-168.3	-149.9	174.4	-166.1	0	0	112	S197 H203	S197-E199 VanDerWaalsContact C-N 3.28Å; E199-H203 WeakPolarHBondContact O-CB 3.37Å; E199-H203 PolarHBondContact O-N 2.76Å
200	N	70.9	Confident	67.5	Low	135 Å²	135	75.6 Å²	75.6	72%	0.722	41%	0.406	S	S	*	.	H	α-helix	trans	-66.8	-42.2	176.9	-68.8	-17.5	0	0	0	113	Q198 H203 E204	Q198-N200 VanDerWaalsContact C-N 3.25Å; Q198-N200 PolarHBondContact O-N 3.35Å; Q198-N200 VanDerWaalsContact O-N 3.13Å; N200-H203 PolarHBondContact O-N 3.02Å; N200-E204 WeakPolarHBondContact O-CG 3.47Å; N200-E204 PolarHBondContact O-N 2.68Å
201	Y	72.2	Confident	68.3	Low	54 Å²	54	76.7 Å²	76.7	21%	0.212	42%	0.416	C	S	.	.	H	α-helix	trans	-69.3	-45.9	179.7	170.2	-95.5	0	0	0	111.1	L5 Q198 H203 E204 Q205	L5-Y201 HydrophobicContact CD1-CD1 3.81Å; L5-Y201 HydrophobicContact CD1-CE1 3.05Å; L5-Y201 HydrophobicContact CD1-CE2 4.08Å; L5-Y201 VanDerWaalsContact CD1-OH 3.29Å; L5-Y201 WeakPolarHBondContact CD1-OH 3.47Å; L5-Y201 HydrophobicContact CG-CE1 4.39Å; Q198-Y201 PolarHBondContact O-N 3.28Å; Y201-H203 VanDerWaalsContact C-N 3.28Å; Y201-H203 PolarHBondContact O-N 3.18Å; Y201-E204 PolarHBondContact O-N 3.1Å; Y201-Q205 HydrophobicContact CD1-CG 4.17Å; Y201-Q205 HydrophobicContact CD2-CG 4.42Å; Y201-Q205 HydrophobicContact CE1-CG 3.51Å; Y201-Q205 HydrophobicContact CE2-CG 3.85Å; Y201-Q205 WeakPolarHBondContact O-CG 3.26Å; Y201-Q205 PolarHBondContact O-N 3.36Å; Y201-Q205 WeakPolarHBondContact OH-CG 3.39Å
202	L	73.7	Confident	69.6	Low	11 Å²	11	79.8 Å²	79.8	6%	0.058	43%	0.434	C	S	.	.	H	α-helix	trans	-64.6	-35.1	177.2	-67.3	176.3	0	0	0	111.1	F188 T189 Q198 Q205 F206 W225	F188-L202 HydrophobicContact CD1-CB 4.15Å; F188-L202 HydrophobicContact CE1-CB 4.03Å; F188-L202 HydrophobicContact CE1-CD2 3.97Å; F188-L202 VanDerWaalsContact CE1-O 3.25Å; F188-L202 WeakPolarHBondContact CE1-O 3.29Å; F188-L202 HydrophobicContact CZ-CD2 4.28Å; T189-L202 HydrophobicContact CG2-CB 4.32Å; Q198-L202 HydrophobicContact CB-CD1 4.43Å; Q198-L202 HydrophobicContact CB-CG 4.29Å; Q198-L202 PolarHBondContact O-N 3.14Å; L202-Q205 PolarHBondContact O-N 2.91Å; L202-F206 VanDerWaalsContact O-CB 3.3Å; L202-F206 WeakPolarHBondContact O-CB 3.47Å; L202-F206 PolarHBondContact O-N 3.1Å; L202-W225 HydrophobicContact CD2-CZ2 4.48Å
203	H	76.2	Confident	71.3	Confident	77 Å²	77	84 Å²	84	36%	0.356	44%	0.442	S	S	.	.	H	α-helix	trans	-63.5	-44.6	172.7	-177	-60.8	0	0	0	112.3	K185 T189 E199 N200 Y201 Q205 F206 T207	K185-H203 WeakPolarHBondContact CE-CD2 3.46Å; K185-H203 PolarHBondContact NZ-CD2 3.48Å; K185-H203 PolarHBondContact NZ-NE2 2.62Å; T189-H203 HydrophobicContact CG2-CB 4.43Å; E199-H203 WeakPolarHBondContact O-CB 3.37Å; E199-H203 PolarHBondContact O-N 2.76Å; N200-H203 PolarHBondContact O-N 3.02Å; Y201-H203 VanDerWaalsContact C-N 3.28Å; Y201-H203 PolarHBondContact O-N 3.18Å; H203-Q205 VanDerWaalsContact C-N 3.35Å; H203-Q205 PolarHBondContact O-N 2.97Å; H203-F206 PolarHBondContact O-N 3.32Å; H203-T207 PolarHBondContact ND1-OG1 3.39Å; H203-T207 WeakPolarHBondContact O-CB 3.49Å; H203-T207 PolarHBondContact O-N 3.47Å; H203-T207 PolarHBondContact O-OG1 3.01Å
204	E	80.8	Confident	73.3	Confident	132 Å²	132	82.7 Å²	82.7	62%	0.617	44%	0.442	S	S	*	.	H	α-helix	trans	-62.4	-42.3	175	-75.8	178.5	-173.3	0	0	111.8	N200 Y201 T207 S208	N200-E204 WeakPolarHBondContact O-CG 3.47Å; N200-E204 PolarHBondContact O-N 2.68Å; Y201-E204 PolarHBondContact O-N 3.1Å; E204-T207 PolarHBondContact O-N 2.85Å; E204-S208 WeakPolarHBondContact O-CB 3.12Å; E204-S208 PolarHBondContact O-N 3.05Å; E204-S208 PolarHBondContact O-OG 2.91Å
205	Q	80.8	Confident	75.6	Confident	34 Å²	34	75.6 Å²	75.6	16%	0.159	43%	0.425	C	S	.	.	H	α-helix	trans	-63.2	-47.8	175.6	-68	-51.5	-77.3	0	0	111.3	F188 Y201 L202 H203 T207 S208 L209	F188-Q205 HydrophobicContact CE1-CB 4.18Å; F188-Q205 HydrophobicContact CZ-CB 4.43Å; Y201-Q205 HydrophobicContact CD1-CG 4.17Å; Y201-Q205 HydrophobicContact CD2-CG 4.42Å; Y201-Q205 HydrophobicContact CE1-CG 3.51Å; Y201-Q205 HydrophobicContact CE2-CG 3.85Å; Y201-Q205 WeakPolarHBondContact O-CG 3.26Å; Y201-Q205 PolarHBondContact O-N 3.36Å; Y201-Q205 WeakPolarHBondContact OH-CG 3.39Å; L202-Q205 PolarHBondContact O-N 2.91Å; H203-Q205 VanDerWaalsContact C-N 3.35Å; H203-Q205 PolarHBondContact O-N 2.97Å; Q205-T207 VanDerWaalsContact C-N 3.28Å; Q205-T207 PolarHBondContact O-N 3.42Å; Q205-S208 WeakPolarHBondContact CA-OG 3.4Å; Q205-S208 WeakPolarHBondContact O-CA 3.47Å; Q205-S208 PolarHBondContact O-N 3.1Å; Q205-S208 PolarHBondContact O-OG 2.7Å; Q205-L209 VanDerWaalsContact O-CG 3.29Å; Q205-L209 WeakPolarHBondContact O-CG 3.35Å; Q205-L209 PolarHBondContact O-N 3.19Å
206	F	82.2	Confident	77.6	Confident	6 Å²	6	74.7 Å²	74.7	3%	0.026	41%	0.405	C	S	.	.	H	α-helix	trans	-53.1	-50.1	176.4	-171.4	-79.9	0	0	0	110.7	K185 F188 L202 H203 S208 L209 D210 G215 L217	K185-F206 VanDerWaalsContact CA-CE2 3.44Å; K185-F206 HydrophobicContact CB-CD1 4.46Å; K185-F206 HydrophobicContact CB-CD2 4.37Å; K185-F206 HydrophobicContact CB-CE1 4.09Å; K185-F206 HydrophobicContact CB-CE2 3.97Å; K185-F206 HydrophobicContact CB-CZ 3.84Å; K185-F206 HydrophobicContact CG-CD1 4.3Å; K185-F206 HydrophobicContact CG-CD2 4.45Å; K185-F206 HydrophobicContact CG-CE1 4.41Å; K185-F206 HydrophobicContact CG-CG 4.34Å; F188-F206 HydrophobicContact CB-CD2 3.71Å; F188-F206 HydrophobicContact CB-CE2 4.16Å; F188-F206 HydrophobicContact CD1-CB 3.84Å; F188-F206 AromaticContact CD1-CD2 3.8Å; F188-F206 HydrophobicContact CD1-CD2 3.8Å; F188-F206 HydrophobicContact CD1-CG 4.34Å; F188-F206 HydrophobicContact CE1-CB 4.13Å; F188-F206 AromaticContact CG-CD2 3.82Å; F188-F206 HydrophobicContact CG-CD2 3.82Å; L202-F206 VanDerWaalsContact O-CB 3.3Å; L202-F206 WeakPolarHBondContact O-CB 3.47Å; L202-F206 PolarHBondContact O-N 3.1Å; H203-F206 PolarHBondContact O-N 3.32Å; F206-S208 PolarHBondContact O-N 3.18Å; F206-L209 PolarHBondContact O-N 3.4Å; F206-L209 VanDerWaalsContact O-N 3.15Å; F206-D210 HydrophobicContact CD1-CB 4.21Å; F206-D210 HydrophobicContact CE1-CB 3.91Å; F206-D210 VanDerWaalsContact O-CB 3.29Å; F206-D210 WeakPolarHBondContact O-CB 3.12Å; F206-D210 PolarHBondContact O-N 3.19Å; F206-G215 WeakPolarHBondContact CZ-O 3.38Å; F206-L217 HydrophobicContact CD2-CD1 3.47Å; F206-L217 VanDerWaalsContact CD2-CD1 3.47Å; F206-L217 HydrophobicContact CD2-CG 3.8Å; F206-L217 HydrophobicContact CE2-CB 4.47Å; F206-L217 HydrophobicContact CE2-CD1 3.69Å; F206-L217 HydrophobicContact CE2-CD2 4.45Å; F206-L217 HydrophobicContact CE2-CG 3.52Å; F206-L217 HydrophobicContact CG-CD1 4.26Å; F206-L217 HydrophobicContact CZ-CG 4.02Å
207	T	84.9	Confident	79.5	Confident	86 Å²	86	70.2 Å²	70.2	53%	0.528	38%	0.377	S	S	.	.	H	α-helix	trans	-62.7	-28.8	179.8	-53.5	0	0	0	0	112.7	H203 E204 Q205	H203-T207 PolarHBondContact ND1-OG1 3.39Å; H203-T207 WeakPolarHBondContact O-CB 3.49Å; H203-T207 PolarHBondContact O-N 3.47Å; H203-T207 PolarHBondContact O-OG1 3.01Å; E204-T207 PolarHBondContact O-N 2.85Å; Q205-T207 VanDerWaalsContact C-N 3.28Å; Q205-T207 PolarHBondContact O-N 3.42Å
208	S	84.9	Confident	80.9	Confident	71 Å²	71	68.2 Å²	68.2	50%	0.497	36%	0.361	S	S	.	.	H	α-helix	trans	-82	-27.2	177.3	73.8	0	0	0	0	113.9	E204 Q205 F206	E204-S208 WeakPolarHBondContact O-CB 3.12Å; E204-S208 PolarHBondContact O-N 3.05Å; E204-S208 PolarHBondContact O-OG 2.91Å; Q205-S208 WeakPolarHBondContact CA-OG 3.4Å; Q205-S208 WeakPolarHBondContact O-CA 3.47Å; Q205-S208 PolarHBondContact O-N 3.1Å; Q205-S208 PolarHBondContact O-OG 2.7Å; F206-S208 PolarHBondContact O-N 3.18Å
209	L	84.6	Confident	81.6	Confident	17 Å²	17	67.7 Å²	67.7	9%	0.089	36%	0.36	C	S	.	.	H	α-helix	trans	-91	-31.7	-178.3	-63.6	171.2	0	0	0	112.5	Q205 F206 V211 L217 E221 L222 W225	Q205-L209 VanDerWaalsContact O-CG 3.29Å; Q205-L209 WeakPolarHBondContact O-CG 3.35Å; Q205-L209 PolarHBondContact O-N 3.19Å; F206-L209 PolarHBondContact O-N 3.4Å; F206-L209 VanDerWaalsContact O-N 3.15Å; L209-V211 PolarHBondContact O-N 3.18Å; L209-L217 HydrophobicContact CB-CD1 4.42Å; L209-L217 HydrophobicContact CB-CD2 3.58Å; L209-L217 HydrophobicContact CD1-CD1 4.42Å; L209-E221 WeakPolarHBondContact CD2-O 3.32Å; L209-L222 HydrophobicContact CD1-CD2 4.27Å; L209-W225 HydrophobicContact CD1-CB 3.64Å; L209-W225 HydrophobicContact CD1-CD2 4.24Å; L209-W225 HydrophobicContact CD1-CG 3.76Å; L209-W225 HydrophobicContact CD2-CB 3.78Å; L209-W225 HydrophobicContact CG-CB 4.35Å
210	D	88.1	Confident	82.3	Confident	14 Å²	14	68.5 Å²	68.5	8%	0.075	37%	0.368	C	S	.	.			trans	-74.4	77	175.2	-178.4	9.7	0	0	0	109.8	F206 K213 N214 G215 L217	F206-D210 HydrophobicContact CD1-CB 4.21Å; F206-D210 HydrophobicContact CE1-CB 3.91Å; F206-D210 VanDerWaalsContact O-CB 3.29Å; F206-D210 WeakPolarHBondContact O-CB 3.12Å; F206-D210 PolarHBondContact O-N 3.19Å; D210-K213 VanDerWaalsContact CG-CA 3.48Å; D210-K213 PolarHBondContact O-N 2.88Å; D210-K213 WeakPolarHBondContact OD1-CA 3.29Å; D210-K213 PolarHBondContact OD1-N 2.9Å; D210-K213 WeakPolarHBondContact OD2-CA 3.44Å; D210-N214 PolarHBondContact OD1-N 3.43Å; D210-G215 VanDerWaalsContact OD2-CA 3.3Å; D210-G215 WeakPolarHBondContact OD2-CA 3.24Å; D210-G215 PolarHBondContact OD2-N 2.85Å; D210-L217 HydrophobicContact CB-CD2 3.91Å
211	V	85.8	Confident	83	Confident	119 Å²	119	63.4 Å²	63.4	72%	0.721	34%	0.34	S	S	*	.	S	Bend	trans	-68	-40.4	-172.4	174.1	0	0	0	0	110.7	L209 K213	L209-V211 PolarHBondContact O-N 3.18Å; V211-K213 VanDerWaalsContact C-N 3.29Å
212	D	89.4	Confident	83.3	Confident	98 Å²	98	60.9 Å²	60.9	52%	0.524	33%	0.33	S	S	.	.	S	Bend	trans	-82.1	-10.4	179.8	78.3	-1	0	0	0	113.1	N214	D212-N214 VanDerWaalsContact C-N 3.27Å; D212-N214 PolarHBondContact O-N 3.18Å; D212-N214 WeakPolarHBondContact OD1-CB 3.48Å; D212-N214 PolarHBondContact OD1-N 3.12Å; D212-N214 PolarHBondContact OD1-ND2 2.94Å; D212-N214 PolarHBondContact OD2-ND2 3.35Å
213	K	87.7	Confident	83.6	Confident	172 Å²	172	65 Å²	65	75%	0.748	35%	0.345	S	S	*	.			trans	63	32.5	177.3	-56.1	-179.3	-179.9	179.6	0	112.6	D210 V211 G215	D210-K213 VanDerWaalsContact CG-CA 3.48Å; D210-K213 PolarHBondContact O-N 2.88Å; D210-K213 WeakPolarHBondContact OD1-CA 3.29Å; D210-K213 PolarHBondContact OD1-N 2.9Å; D210-K213 WeakPolarHBondContact OD2-CA 3.44Å; V211-K213 VanDerWaalsContact C-N 3.29Å; K213-G215 VanDerWaalsContact C-N 3.26Å
214	N	89.3	Confident	83.6	Confident	80 Å²	80	65.1 Å²	65.1	43%	0.428	35%	0.352	S	S	.	.	S	Bend	trans	-81.2	-8.7	178.4	73.5	25.1	0	0	0	112.4	D210 D212 I216	D210-N214 PolarHBondContact OD1-N 3.43Å; D212-N214 VanDerWaalsContact C-N 3.27Å; D212-N214 PolarHBondContact O-N 3.18Å; D212-N214 WeakPolarHBondContact OD1-CB 3.48Å; D212-N214 PolarHBondContact OD1-N 3.12Å; D212-N214 PolarHBondContact OD1-ND2 2.94Å; D212-N214 PolarHBondContact OD2-ND2 3.35Å; N214-I216 WeakPolarHBondContact OD1-CA 3.2Å; N214-I216 WeakPolarHBondContact OD1-CB 3.35Å; N214-I216 PolarHBondContact OD1-N 3.36Å; N214-I216 PolarHBondContact OD1-O 3.37Å
215	G	85.1	Confident	83.3	Confident	32 Å²	32	60.5 Å²	60.5	33%	0.33	33%	0.329	S	S	.	.	S	Bend	trans	83.8	13.4	178.9	0	0	0	0	0	114.7	F206 D210 K213	F206-G215 WeakPolarHBondContact CZ-O 3.38Å; D210-G215 VanDerWaalsContact OD2-CA 3.3Å; D210-G215 WeakPolarHBondContact OD2-CA 3.24Å; D210-G215 PolarHBondContact OD2-N 2.85Å; K213-G215 VanDerWaalsContact C-N 3.26Å
216	I	86.6	Confident	82.8	Confident	46 Å²	46	59.5 Å²	59.5	24%	0.236	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	134.6	-178.2	-59.1	169.4	0	0	0	108.3	M182 N214	M182-I216 HydrophobicContact CB-CG2 3.62Å; M182-I216 HydrophobicContact CG-CG2 4.03Å; M182-I216 HydrophobicContact SD-CD1 3.82Å; M182-I216 HydrophobicContact SD-CG2 4.2Å; N214-I216 WeakPolarHBondContact OD1-CA 3.2Å; N214-I216 WeakPolarHBondContact OD1-CB 3.35Å; N214-I216 PolarHBondContact OD1-N 3.36Å; N214-I216 PolarHBondContact OD1-O 3.37Å
217	L	84.7	Confident	82.2	Confident	0 Å²	0	60 Å²	60	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	121.5	173.2	-66.7	174.8	0	0	0	111	I183 F188 F206 L209 D210 E221 L222	I183-L217 HydrophobicContact CB-CB 4.37Å; I183-L217 PolarHBondContact O-N 2.84Å; F188-L217 HydrophobicContact CD2-CD1 3.88Å; F188-L217 HydrophobicContact CE2-CD1 4.03Å; F188-L217 HydrophobicContact CG-CD1 4.17Å; F188-L217 HydrophobicContact CZ-CD1 4.43Å; F206-L217 HydrophobicContact CD2-CD1 3.47Å; F206-L217 VanDerWaalsContact CD2-CD1 3.47Å; F206-L217 HydrophobicContact CD2-CG 3.8Å; F206-L217 HydrophobicContact CE2-CB 4.47Å; F206-L217 HydrophobicContact CE2-CD1 3.69Å; F206-L217 HydrophobicContact CE2-CD2 4.45Å; F206-L217 HydrophobicContact CE2-CG 3.52Å; F206-L217 HydrophobicContact CG-CD1 4.26Å; F206-L217 HydrophobicContact CZ-CG 4.02Å; L209-L217 HydrophobicContact CB-CD1 4.42Å; L209-L217 HydrophobicContact CB-CD2 3.58Å; L209-L217 HydrophobicContact CD1-CD1 4.42Å; D210-L217 HydrophobicContact CB-CD2 3.91Å; L217-E221 HydrophobicContact CD2-CB 4.26Å; L217-L222 HydrophobicContact CB-CD1 3.84Å; L217-L222 HydrophobicContact CB-CG 4.04Å; L217-L222 HydrophobicContact CD1-CD1 4.44Å; L217-L222 HydrophobicContact CD1-CD2 4.16Å; L217-L222 HydrophobicContact CD1-CG 4.14Å
218	T	83.7	Confident	81.5	Confident	61 Å²	61	58.3 Å²	58.3	37%	0.374	32%	0.319	S	S	.	.			trans	-81	162.7	168.2	61.9	0	0	0	0	111.5	D220 E221 L222	T218-D220 PolarHBondContact O-N 2.89Å; T218-E221 WeakPolarHBondContact CB-OE2 3.26Å; T218-E221 PolarHBondContact N-OE2 2.92Å; T218-E221 PolarHBondContact O-N 3.06Å; T218-E221 VanDerWaalsContact O-N 3.16Å; T218-E221 WeakPolarHBondContact OG1-CG 3.22Å; T218-E221 PolarHBondContact OG1-N 3.39Å; T218-E221 PolarHBondContact OG1-OE2 2.82Å; T218-L222 PolarHBondContact O-N 3.25Å
219	L	76.8	Confident	81	Confident	69 Å²	69	57.5 Å²	57.5	36%	0.361	31%	0.313	S	S	.	.	H	α-helix	trans	-53.9	-40.7	174.2	-77.2	167	0	0	0	112.1	M168 F172 E221 L222 R223	M168-L219 HydrophobicContact CB-CD2 4.02Å; F172-L219 HydrophobicContact CB-CD2 3.69Å; F172-L219 HydrophobicContact CD2-CD2 3.28Å; F172-L219 HydrophobicContact CD2-CG 3.67Å; F172-L219 HydrophobicContact CE2-CD2 4.1Å; F172-L219 HydrophobicContact CE2-CG 3.98Å; F172-L219 HydrophobicContact CG-CD2 3.64Å; F172-L219 HydrophobicContact CG-CG 4.29Å; L219-E221 VanDerWaalsContact C-N 3.35Å; L219-E221 PolarHBondContact O-N 3.01Å; L219-L222 PolarHBondContact O-N 2.78Å; L219-R223 PolarHBondContact O-N 3.42Å
220	D	81.2	Confident	80.8	Confident	125 Å²	125	57.4 Å²	57.4	67%	0.668	31%	0.312	S	S	*	.	H	α-helix	trans	-67	-35.5	-179.2	-72.8	-33.1	0	0	0	112.5	T218	T218-D220 PolarHBondContact O-N 2.89Å
221	E	84.6	Confident	80.6	Confident	27 Å²	27	63.8 Å²	63.8	13%	0.126	34%	0.339	C	S	.	.	H	α-helix	trans	-74.1	-33.5	176.6	-73.8	167.8	136.2	0	0	112.5	L209 L217 T218 L219 P224	L209-E221 WeakPolarHBondContact CD2-O 3.32Å; L217-E221 HydrophobicContact CD2-CB 4.26Å; T218-E221 WeakPolarHBondContact CB-OE2 3.26Å; T218-E221 PolarHBondContact N-OE2 2.92Å; T218-E221 PolarHBondContact O-N 3.06Å; T218-E221 VanDerWaalsContact O-N 3.16Å; T218-E221 WeakPolarHBondContact OG1-CG 3.22Å; T218-E221 PolarHBondContact OG1-N 3.39Å; T218-E221 PolarHBondContact OG1-OE2 2.82Å; L219-E221 VanDerWaalsContact C-N 3.35Å; L219-E221 PolarHBondContact O-N 3.01Å; E221-P224 VanDerWaalsContact O-CD 3.32Å; E221-P224 WeakPolarHBondContact O-CD 3.46Å
222	L	79.5	Confident	80.6	Confident	1 Å²	1	60.9 Å²	60.9	1%	0.005	33%	0.328	C	S	.	.	H	α-helix	trans	-75.3	-26.1	175.4	-90.3	156.7	0	0	0	113.4	I183 F188 L209 L217 T218 L219 P224 W225 L226	I183-L222 HydrophobicContact CD1-CD1 3.32Å; F188-L222 HydrophobicContact CE2-CD2 3.84Å; L209-L222 HydrophobicContact CD1-CD2 4.27Å; L217-L222 HydrophobicContact CB-CD1 3.84Å; L217-L222 HydrophobicContact CB-CG 4.04Å; L217-L222 HydrophobicContact CD1-CD1 4.44Å; L217-L222 HydrophobicContact CD1-CD2 4.16Å; L217-L222 HydrophobicContact CD1-CG 4.14Å; T218-L222 PolarHBondContact O-N 3.25Å; L219-L222 PolarHBondContact O-N 2.78Å; L222-P224 VanDerWaalsContact C-CD 3.47Å; L222-W225 HydrophobicContact CD2-CE3 3.83Å; L222-W225 HydrophobicContact CD2-CZ3 4.35Å; L222-W225 WeakPolarHBondContact O-CA 3.31Å; L222-W225 WeakPolarHBondContact O-CB 3.34Å; L222-W225 PolarHBondContact O-N 3.1Å; L222-L226 HydrophobicContact CB-CD1 3.98Å; L222-L226 HydrophobicContact CB-CG 4.38Å; L222-L226 HydrophobicContact CD2-CG 4.45Å; L222-L226 PolarHBondContact O-N 3.37Å
223	R	78	Confident	80.4	Confident	98 Å²	98	57 Å²	57	37%	0.37	31%	0.309	S	S	.	.	H	α-helix	trans	-49.7	-48	-174.1	-169.8	179.7	66.1	95.9	6.5	114.2	E161 M168 L219 W225 L226 L227	E161-R223 IonicContact OE1-NH1 3.46Å; E161-R223 PolarHBondContact OE1-NH1 2.91Å; M168-R223 HydrophobicContact SD-CB 3.79Å; M168-R223 HydrophobicContact SD-CG 3.66Å; L219-R223 PolarHBondContact O-N 3.42Å; R223-W225 PolarHBondContact O-N 3.48Å; R223-L226 PolarHBondContact O-N 3.33Å; R223-L227 HydrophobicContact CG-CD1 4.07Å; R223-L227 PolarHBondContact O-N 3.15Å
224	P	77.8	Confident	80.4	Confident	80 Å²	80	48.9 Å²	48.9	52%	0.519	27%	0.274	S	S	.	.	H	α-helix	trans	-65.6	-24	-179.5	-18.1	32.6	0	0	0	113.6	E221 L222	E221-P224 VanDerWaalsContact O-CD 3.32Å; E221-P224 WeakPolarHBondContact O-CD 3.46Å; L222-P224 VanDerWaalsContact C-CD 3.47Å
225	W	74.5	Confident	80.5	Confident	34 Å²	34	49.9 Å²	49.9	13%	0.129	28%	0.275	C	S	.	.	H	α-helix	trans	-83.9	-41.1	178.6	-173	73.3	0	0	0	112	L9 F175 F188 L202 L209 L222 R223	L9-W225 HydrophobicContact CD1-CH2 4.18Å; F175-W225 AromaticContact CE2-CZ3 3.99Å; F175-W225 HydrophobicContact CE2-CZ3 3.99Å; F175-W225 HydrophobicContact CZ-CH2 4Å; F175-W225 AromaticContact CZ-CZ3 3.79Å; F175-W225 HydrophobicContact CZ-CZ3 3.79Å; F188-W225 HydrophobicContact CE2-CE3 4.38Å; F188-W225 HydrophobicContact CE2-CH2 4.27Å; F188-W225 AromaticContact CE2-CZ3 3.98Å; F188-W225 HydrophobicContact CE2-CZ3 3.98Å; F188-W225 HydrophobicContact CZ-CE3 4.39Å; F188-W225 HydrophobicContact CZ-CH2 4.06Å; F188-W225 HydrophobicContact CZ-CZ2 4.29Å; F188-W225 HydrophobicContact CZ-CZ3 4.1Å; L202-W225 HydrophobicContact CD2-CZ2 4.48Å; L209-W225 HydrophobicContact CD1-CB 3.64Å; L209-W225 HydrophobicContact CD1-CD2 4.24Å; L209-W225 HydrophobicContact CD1-CG 3.76Å; L209-W225 HydrophobicContact CD2-CB 3.78Å; L209-W225 HydrophobicContact CG-CB 4.35Å; L222-W225 HydrophobicContact CD2-CE3 3.83Å; L222-W225 HydrophobicContact CD2-CZ3 4.35Å; L222-W225 WeakPolarHBondContact O-CA 3.31Å; L222-W225 WeakPolarHBondContact O-CB 3.34Å; L222-W225 PolarHBondContact O-N 3.1Å; R223-W225 PolarHBondContact O-N 3.48Å
226	L	69.1	Low	80.8	Confident	14 Å²	14	52.2 Å²	52.2	7%	0.073	29%	0.286	C	S	.	.	H	α-helix	trans	-75.9	-33.3	-179.8	-66.1	177.2	0	0	0	113.1	M168 S171 L222 R223 P228	M168-L226 HydrophobicContact CG-CD1 4.41Å; S171-L226 VanDerWaalsContact CB-CD1 3.5Å; S171-L226 WeakPolarHBondContact OG-CD2 3.16Å; L222-L226 HydrophobicContact CB-CD1 3.98Å; L222-L226 HydrophobicContact CB-CG 4.38Å; L222-L226 HydrophobicContact CD2-CG 4.45Å; L222-L226 PolarHBondContact O-N 3.37Å; R223-L226 PolarHBondContact O-N 3.33Å; L226-P228 VanDerWaalsContact O-CD 3.29Å; L226-P228 WeakPolarHBondContact O-CD 3.45Å
227	L	70.9	Confident	80.9	Confident	15 Å²	15	51.4 Å²	51.4	8%	0.079	28%	0.281	C	S	.	.			trans	-122.4	69.2	-176.9	-64.8	159.6	0	0	0	109.9	A164 E167 M168 R223 S229	A164-L227 HydrophobicContact CB-CD1 3.26Å; E167-L227 HydrophobicContact CB-CD2 3.93Å; E167-L227 HydrophobicContact CG-CD2 4.28Å; M168-L227 HydrophobicContact CG-CD1 4.13Å; R223-L227 HydrophobicContact CG-CD1 4.07Å; R223-L227 PolarHBondContact O-N 3.15Å; L227-S229 PolarHBondContact O-N 3.08Å
228	P	68.8	Low	81.3	Confident	52 Å²	52	51.4 Å²	51.4	34%	0.338	28%	0.281	S	S	.	.			trans	-63.9	103.9	169.9	30.2	-34.6	0	0	0	108	L6 L226 L230	L6-P228 VanDerWaalsContact CD1-CD 3.46Å; L6-P228 HydrophobicContact CD1-CG 3.37Å; L6-P228 HydrophobicContact CD2-CG 3.34Å; L6-P228 HydrophobicContact CG-CG 3.9Å; L226-P228 VanDerWaalsContact O-CD 3.29Å; L226-P228 WeakPolarHBondContact O-CD 3.45Å; P228-L230 PolarHBondContact O-N 3.23Å
229	S	74.3	Confident	81.7	Confident	53 Å²	53	51 Å²	51	37%	0.371	28%	0.279	S	S	.	.			trans	-50.5	128.2	-173.8	179.3	0	0	0	0	112.2	L227 K231 A232 A233	L227-S229 PolarHBondContact O-N 3.08Å; S229-K231 PolarHBondContact O-N 3.12Å; S229-K231 VanDerWaalsContact O-N 3.1Å; S229-K231 VanDerWaalsContact OG-CB 3.28Å; S229-K231 WeakPolarHBondContact OG-CB 3.21Å; S229-K231 PolarHBondContact OG-N 3.09Å; S229-A232 WeakPolarHBondContact O-CA 3.32Å; S229-A232 WeakPolarHBondContact O-CB 3.46Å; S229-A232 PolarHBondContact O-N 3.42Å; S229-A233 PolarHBondContact O-N 2.95Å
230	L	81	Confident	82.4	Confident	16 Å²	16	52.6 Å²	52.6	8%	0.084	28%	0.28	C	S	.	.	H	α-helix	trans	-49.6	-35.4	167.8	-89.5	-175.9	0	0	0	111.4	L69 Y72 N159 P228 A233 A234	L69-L230 HydrophobicContact CD1-CB 3.75Å; Y72-L230 HydrophobicContact CD2-CD2 3.77Å; Y72-L230 HydrophobicContact CG-CD2 4.01Å; N159-L230 HydrophobicContact CB-CD1 3.44Å; N159-L230 VanDerWaalsContact CB-CD1 3.44Å; N159-L230 HydrophobicContact CB-CG 3.78Å; N159-L230 WeakPolarHBondContact O-CD1 3.4Å; P228-L230 PolarHBondContact O-N 3.23Å; L230-A233 WeakPolarHBondContact O-CB 3.38Å; L230-A233 PolarHBondContact O-N 3.46Å; L230-A234 VanDerWaalsContact O-CB 3.28Å; L230-A234 WeakPolarHBondContact O-CB 3.09Å; L230-A234 PolarHBondContact O-N 3.04Å
231	K	84.6	Confident	83	Confident	147 Å²	147	46.7 Å²	46.7	64%	0.639	25%	0.248	S	C	*	.	H	α-helix	trans	-63.6	-41.1	174.8	-172.3	178.2	-178.7	174.4	0	112.1	L69 S229 A234 K235	L69-K231 HydrophobicContact CD2-CB 4.24Å; L69-K231 HydrophobicContact CD2-CG 4.29Å; S229-K231 PolarHBondContact O-N 3.12Å; S229-K231 VanDerWaalsContact O-N 3.1Å; S229-K231 VanDerWaalsContact OG-CB 3.28Å; S229-K231 WeakPolarHBondContact OG-CB 3.21Å; S229-K231 PolarHBondContact OG-N 3.09Å; K231-A234 PolarHBondContact O-N 3.27Å; K231-K235 WeakPolarHBondContact O-CB 3.09Å; K231-K235 PolarHBondContact O-N 2.71Å
232	A	85	Confident	83.4	Confident	59 Å²	59	46 Å²	46	49%	0.488	25%	0.245	S	C	.	.	H	α-helix	trans	-68.5	-40.4	175.5	0	0	0	0	0	111.5	S229 K235 S236	S229-A232 WeakPolarHBondContact O-CA 3.32Å; S229-A232 WeakPolarHBondContact O-CB 3.46Å; S229-A232 PolarHBondContact O-N 3.42Å; A232-K235 PolarHBondContact O-N 3.01Å; A232-S236 WeakPolarHBondContact O-CB 3.41Å; A232-S236 PolarHBondContact O-N 3Å
233	A	85.3	Confident	84	Confident	16 Å²	16	52 Å²	52	13%	0.132	28%	0.277	C	S	.	.	H	α-helix	trans	-60.1	-46.8	172.7	0	0	0	0	0	112	W3 Y72 S229 L230 S236 E237	W3-A233 HydrophobicContact CH2-CB 3.62Å; W3-A233 HydrophobicContact CZ2-CB 3.43Å; W3-A233 VanDerWaalsContact CZ2-CB 3.43Å; Y72-A233 HydrophobicContact CE2-CB 4.31Å; S229-A233 PolarHBondContact O-N 2.95Å; L230-A233 WeakPolarHBondContact O-CB 3.38Å; L230-A233 PolarHBondContact O-N 3.46Å; A233-S236 PolarHBondContact O-N 3.45Å; A233-E237 PolarHBondContact O-N 2.79Å
234	A	88.7	Confident	84.7	Confident	1 Å²	1	50.8 Å²	50.8	1%	0.008	28%	0.278	C	S	.	.	H	α-helix	trans	-62.4	-44.5	177.4	0	0	0	0	0	111.5	I68 L69 Y72 L230 K231 E237 A238	I68-A234 HydrophobicContact CB-CB 4.09Å; I68-A234 HydrophobicContact CG2-CB 3.8Å; L69-A234 HydrophobicContact CB-CB 3.88Å; Y72-A234 HydrophobicContact CD2-CB 4.24Å; Y72-A234 HydrophobicContact CE2-CB 3.98Å; L230-A234 VanDerWaalsContact O-CB 3.28Å; L230-A234 WeakPolarHBondContact O-CB 3.09Å; L230-A234 PolarHBondContact O-N 3.04Å; K231-A234 PolarHBondContact O-N 3.27Å; A234-E237 PolarHBondContact O-N 2.81Å; A234-A238 WeakPolarHBondContact O-CB 3.29Å; A234-A238 PolarHBondContact O-N 2.98Å
235	K	91.2	Very high	85.4	Confident	102 Å²	102	47 Å²	47	44%	0.443	25%	0.253	S	S	.	.	H	α-helix	trans	-61.7	-44.7	174.9	-174.6	163.7	-172.2	149.2	0	112.3	D62 A65 K231 A232 E237 A238 T239	D62-K235 IonicContact OD1-NZ 3.61Å; A65-K235 HydrophobicContact CB-CB 4.38Å; K231-K235 WeakPolarHBondContact O-CB 3.09Å; K231-K235 PolarHBondContact O-N 2.71Å; A232-K235 PolarHBondContact O-N 3.01Å; K235-E237 VanDerWaalsContact C-N 3.29Å; K235-E237 PolarHBondContact O-N 3.32Å; K235-A238 PolarHBondContact O-N 3.15Å; K235-T239 WeakPolarHBondContact O-CB 3.49Å; K235-T239 PolarHBondContact O-N 2.64Å; K235-T239 PolarHBondContact O-OG1 3.18Å; K235-T239 VanDerWaalsContact O-OG1 3.12Å
236	S	90	Very high	86.4	Confident	81 Å²	81	46.3 Å²	46.3	57%	0.566	25%	0.252	S	S	*	.	H	α-helix	trans	-62.1	-38	177.7	-174.7	0	0	0	0	112.2	A232 A233 R240	A232-S236 WeakPolarHBondContact O-CB 3.41Å; A232-S236 PolarHBondContact O-N 3Å; A233-S236 PolarHBondContact O-N 3.45Å; S236-R240 WeakPolarHBondContact O-CB 3.48Å; S236-R240 PolarHBondContact O-N 3.38Å
237	E	88.6	Confident	87.5	Confident	29 Å²	29	49 Å²	49	14%	0.136	27%	0.272	C	S	.	.	H	α-helix	trans	-71.5	-41.2	176.7	178.1	62.8	180	0	0	111.5	I68 A233 A234 K235 R240 L241 Q269	I68-E237 HydrophobicContact CD1-CB 4.24Å; I68-E237 HydrophobicContact CD1-CG 3.92Å; I68-E237 HydrophobicContact CG2-CB 4.5Å; I68-E237 HydrophobicContact CG2-CG 4.49Å; A233-E237 PolarHBondContact O-N 2.79Å; A234-E237 PolarHBondContact O-N 2.81Å; K235-E237 VanDerWaalsContact C-N 3.29Å; K235-E237 PolarHBondContact O-N 3.32Å; E237-R240 WeakPolarHBondContact O-CB 3.5Å; E237-R240 PolarHBondContact O-N 2.92Å; E237-R240 IonicContact OE1-CZ 2.61Å; E237-R240 IonicContact OE1-NE 3.85Å; E237-R240 IonicContact OE1-NH2 2.74Å; E237-R240 PolarHBondContact OE1-NH2 2.9Å; E237-R240 IonicContact OE2-CZ 2.71Å; E237-R240 IonicContact OE2-NE 3.32Å; E237-R240 PolarHBondContact OE2-NE 2.67Å; E237-R240 IonicContact OE2-NH2 3.19Å; E237-R240 PolarHBondContact OE2-NH2 3.5Å; E237-L241 HydrophobicContact CG-CD1 4.28Å; E237-L241 WeakPolarHBondContact O-CG 3.5Å; E237-L241 PolarHBondContact O-N 2.72Å; E237-Q269 HydrophobicContact CG-CG 4.44Å
238	A	93.1	Very high	88.6	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-57	-54	173.7	0	0	0	0	0	110.7	L64 A65 I68 A234 K235 R240 L241 M242	L64-A238 HydrophobicContact CB-CB 4.1Å; L64-A238 HydrophobicContact CD2-CB 4.22Å; L64-A238 HydrophobicContact CG-CB 3.96Å; A65-A238 HydrophobicContact CB-CB 3.74Å; I68-A238 HydrophobicContact CD1-CB 4Å; A234-A238 WeakPolarHBondContact O-CB 3.29Å; A234-A238 PolarHBondContact O-N 2.98Å; K235-A238 PolarHBondContact O-N 3.15Å; A238-R240 VanDerWaalsContact C-N 3.26Å; A238-R240 PolarHBondContact O-N 3.5Å; A238-L241 CarbonylContact O-C 3.29Å; A238-L241 WeakPolarHBondContact O-CA 3.29Å; A238-L241 PolarHBondContact O-N 3.23Å; A238-M242 VanDerWaalsContact O-CG 3.31Å; A238-M242 WeakPolarHBondContact O-CG 3.46Å; A238-M242 PolarHBondContact O-N 3.42Å
239	T	93.5	Very high	89.8	Confident	51 Å²	51	60.8 Å²	60.8	31%	0.313	32%	0.316	S	S	.	.	H	α-helix	trans	-59.2	-36.9	178.3	-60.8	0	0	0	0	112	D61 K235 N243	D61-T239 VanDerWaalsContact OD1-CA 3.31Å; D61-T239 WeakPolarHBondContact OD1-CA 3.25Å; D61-T239 PolarHBondContact OD1-N 3.03Å; D61-T239 PolarHBondContact OD1-OG1 3.29Å; K235-T239 WeakPolarHBondContact O-CB 3.49Å; K235-T239 PolarHBondContact O-N 2.64Å; K235-T239 PolarHBondContact O-OG1 3.18Å; K235-T239 VanDerWaalsContact O-OG1 3.12Å; T239-N243 WeakPolarHBondContact O-CB 3.12Å; T239-N243 VanDerWaalsContact O-CG 3.25Å; T239-N243 PolarHBondContact O-N 3.38Å; T239-N243 PolarHBondContact O-ND2 3.5Å
240	R	91.9	Very high	90.8	Very high	104 Å²	104	62 Å²	62	39%	0.392	32%	0.318	S	S	.	.	H	α-helix	trans	-62.4	-46.2	173.8	-171.3	-170.2	70.9	80.8	2.4	111.3	S236 E237 A238 N243 L244	S236-R240 WeakPolarHBondContact O-CB 3.48Å; S236-R240 PolarHBondContact O-N 3.38Å; E237-R240 WeakPolarHBondContact O-CB 3.5Å; E237-R240 PolarHBondContact O-N 2.92Å; E237-R240 IonicContact OE1-CZ 2.61Å; E237-R240 IonicContact OE1-NE 3.85Å; E237-R240 IonicContact OE1-NH2 2.74Å; E237-R240 PolarHBondContact OE1-NH2 2.9Å; E237-R240 IonicContact OE2-CZ 2.71Å; E237-R240 IonicContact OE2-NE 3.32Å; E237-R240 PolarHBondContact OE2-NE 2.67Å; E237-R240 IonicContact OE2-NH2 3.19Å; E237-R240 PolarHBondContact OE2-NH2 3.5Å; A238-R240 VanDerWaalsContact C-N 3.26Å; A238-R240 PolarHBondContact O-N 3.5Å; R240-N243 PolarHBondContact O-N 2.87Å; R240-L244 HydrophobicContact CG-CD1 4.2Å; R240-L244 WeakPolarHBondContact O-CB 3.44Å; R240-L244 VanDerWaalsContact O-CG 3.27Å; R240-L244 WeakPolarHBondContact O-CG 3.48Å; R240-L244 PolarHBondContact O-N 2.9Å
241	L	91.9	Very high	91.4	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-67.3	-40.4	178.5	-73	172.3	0	0	0	112.4	L64 I68 E237 A238 L244 T245 V270	L64-L241 HydrophobicContact CD2-CB 3.91Å; L64-L241 HydrophobicContact CD2-CD1 4.34Å; I68-L241 HydrophobicContact CD1-CD1 4.14Å; E237-L241 HydrophobicContact CG-CD1 4.28Å; E237-L241 WeakPolarHBondContact O-CG 3.5Å; E237-L241 PolarHBondContact O-N 2.72Å; A238-L241 CarbonylContact O-C 3.29Å; A238-L241 WeakPolarHBondContact O-CA 3.29Å; A238-L241 PolarHBondContact O-N 3.23Å; L241-L244 PolarHBondContact O-N 3.41Å; L241-T245 WeakPolarHBondContact O-CB 3.32Å; L241-T245 PolarHBondContact O-N 3.04Å; L241-T245 PolarHBondContact O-OG1 2.84Å; L241-V270 HydrophobicContact CD1-CG2 3.65Å
242	M	93.9	Very high	91.9	Very high	12 Å²	12	59.5 Å²	59.5	6%	0.059	32%	0.318	C	S	.	.	H	α-helix	trans	-55.4	-55.4	172.6	-68.1	-61	-68.2	0	0	109.7	D61 L64 A238 L244 T245 D246 G251 L253	D61-M242 HydrophobicContact CB-CG 4.18Å; L64-M242 HydrophobicContact CD2-CG 4.26Å; L64-M242 HydrophobicContact CD2-SD 4.08Å; A238-M242 VanDerWaalsContact O-CG 3.31Å; A238-M242 WeakPolarHBondContact O-CG 3.46Å; A238-M242 PolarHBondContact O-N 3.42Å; M242-L244 PolarHBondContact O-N 3.21Å; M242-T245 PolarHBondContact O-N 2.95Å; M242-D246 WeakPolarHBondContact O-CB 3.33Å; M242-D246 PolarHBondContact O-N 3.13Å; M242-G251 VanDerWaalsContact CE-O 3.23Å; M242-G251 WeakPolarHBondContact CE-O 3.37Å; M242-L253 HydrophobicContact CE-CD2 4.34Å; M242-L253 HydrophobicContact CE-CG 3.89Å; M242-L253 HydrophobicContact SD-CD1 3.5Å; M242-L253 WeakPolarHBondContact SD-CD1 3.3Å; M242-L253 HydrophobicContact SD-CD2 4.24Å; M242-L253 HydrophobicContact SD-CG 3.52Å; M242-L253 VanDerWaalsContact SD-CG 3.52Å
243	N	92.3	Very high	92.5	Very high	127 Å²	127	56.7 Å²	56.7	68%	0.679	29%	0.294	S	S	*	.	H	α-helix	trans	-59.8	-32	179.9	-74.5	-35	0	0	0	113.8	T239 R240	T239-N243 WeakPolarHBondContact O-CB 3.12Å; T239-N243 VanDerWaalsContact O-CG 3.25Å; T239-N243 PolarHBondContact O-N 3.38Å; T239-N243 PolarHBondContact O-ND2 3.5Å; R240-N243 PolarHBondContact O-N 2.87Å
244	L	91.4	Very high	93	Very high	73 Å²	73	57.3 Å²	57.3	38%	0.382	30%	0.297	S	S	.	.	H	α-helix	trans	-78.4	-30.5	176.8	-73.8	172.4	0	0	0	112.4	R240 L241 M242 K261	R240-L244 HydrophobicContact CG-CD1 4.2Å; R240-L244 WeakPolarHBondContact O-CB 3.44Å; R240-L244 VanDerWaalsContact O-CG 3.27Å; R240-L244 WeakPolarHBondContact O-CG 3.48Å; R240-L244 PolarHBondContact O-N 2.9Å; L241-L244 PolarHBondContact O-N 3.41Å; M242-L244 PolarHBondContact O-N 3.21Å; L244-K261 WeakPolarHBondContact O-CD 3.42Å; L244-K261 VanDerWaalsContact O-CE 3.32Å; L244-K261 WeakPolarHBondContact O-CE 3.47Å; L244-K261 PolarHBondContact O-NZ 3.46Å
245	T	93.4	Very high	93.2	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-101.2	-48.3	-167.3	-47.1	0	0	0	0	112.9	L241 M242 S247 L253 E257 I258 K261 W265	L241-T245 WeakPolarHBondContact O-CB 3.32Å; L241-T245 PolarHBondContact O-N 3.04Å; L241-T245 PolarHBondContact O-OG1 2.84Å; M242-T245 PolarHBondContact O-N 2.95Å; T245-S247 PolarHBondContact O-N 2.84Å; T245-S247 PolarHBondContact O-OG 3.21Å; T245-L253 HydrophobicContact CG2-CD1 4.24Å; T245-L253 HydrophobicContact CG2-CD2 3.87Å; T245-E257 HydrophobicContact CG2-CB 4.25Å; T245-I258 HydrophobicContact CG2-CG1 3.92Å; T245-K261 PolarHBondContact O-NZ 2.91Å; T245-W265 HydrophobicContact CG2-CZ2 4.43Å; T245-W265 PolarHBondContact OG1-NE1 2.78Å
246	D	94.8	Very high	93.3	Very high	21 Å²	21	62 Å²	62	11%	0.112	32%	0.321	C	S	.	.			trans	-60.9	101.1	-179	-178.9	-2.6	0	0	0	110.1	M242 N248 R249 D250 G251 L253	M242-D246 WeakPolarHBondContact O-CB 3.33Å; M242-D246 PolarHBondContact O-N 3.13Å; D246-N248 PolarHBondContact OD1-OD1 2.73Å; D246-R249 WeakPolarHBondContact OD1-CA 3.39Å; D246-R249 PolarHBondContact OD1-N 2.77Å; D246-R249 WeakPolarHBondContact OD2-CA 3.38Å; D246-D250 PolarHBondContact OD1-N 3.12Å; D246-D250 PolarHBondContact OD2-N 3.44Å; D246-G251 VanDerWaalsContact OD2-CA 3.3Å; D246-G251 WeakPolarHBondContact OD2-CA 3.48Å; D246-G251 PolarHBondContact OD2-N 3.44Å; D246-L253 HydrophobicContact CB-CD2 3.6Å
247	S	93.1	Very high	93.5	Very high	71 Å²	71	59 Å²	59	50%	0.497	30%	0.298	S	S	.	.	S	Bend	trans	-89.7	-31.3	-171.4	-60.2	0	0	0	0	111.5	T245 E257 K261	T245-S247 PolarHBondContact O-N 2.84Å; T245-S247 PolarHBondContact O-OG 3.21Å; S247-E257 PolarHBondContact N-OE1 2.88Å; S247-K261 WeakPolarHBondContact OG-CE 3.29Å; S247-K261 PolarHBondContact OG-NZ 3.48Å
248	N	94.1	Very high	93.7	Very high	93 Å²	93	57.8 Å²	57.8	50%	0.497	29%	0.293	S	S	.	.	S	Bend	trans	-87.6	-12	179	73.1	7.4	0	0	0	112.6	D246 D250	D246-N248 PolarHBondContact OD1-OD1 2.73Å; N248-D250 VanDerWaalsContact C-N 3.34Å; N248-D250 PolarHBondContact ND2-OD2 2.75Å; N248-D250 WeakPolarHBondContact OD1-CB 3.36Å; N248-D250 PolarHBondContact OD1-N 3.16Å; N248-D250 PolarHBondContact OD1-OD1 3.28Å; N248-D250 PolarHBondContact OD1-OD2 3.04Å
249	R	92.9	Very high	93.6	Very high	220 Å²	220	60 Å²	60	83%	0.83	30%	0.304	S	S	*	.			trans	61.9	35.7	-179.5	-57.5	-175.7	177.8	-179.8	-1.4	113.7	D246 G251	D246-R249 WeakPolarHBondContact OD1-CA 3.39Å; D246-R249 PolarHBondContact OD1-N 2.77Å; D246-R249 WeakPolarHBondContact OD2-CA 3.38Å; R249-G251 VanDerWaalsContact C-N 3.29Å
250	D	95.7	Very high	93.6	Very high	79 Å²	79	61.5 Å²	61.5	42%	0.422	32%	0.322	S	S	.	.	S	Bend	trans	-86	-3.3	175	71.2	12	0	0	0	113.2	D246 N248 K252	D246-D250 PolarHBondContact OD1-N 3.12Å; D246-D250 PolarHBondContact OD2-N 3.44Å; N248-D250 VanDerWaalsContact C-N 3.34Å; N248-D250 PolarHBondContact ND2-OD2 2.75Å; N248-D250 WeakPolarHBondContact OD1-CB 3.36Å; N248-D250 PolarHBondContact OD1-N 3.16Å; N248-D250 PolarHBondContact OD1-OD1 3.28Å; N248-D250 PolarHBondContact OD1-OD2 3.04Å; D250-K252 VanDerWaalsContact C-N 3.34Å; D250-K252 WeakPolarHBondContact OD1-CA 3.44Å; D250-K252 VanDerWaalsContact OD1-CB 3.3Å; D250-K252 WeakPolarHBondContact OD1-CB 3.38Å; D250-K252 PolarHBondContact OD1-N 3.36Å
251	G	94.1	Very high	93.4	Very high	39 Å²	39	59.6 Å²	59.6	40%	0.402	32%	0.316	S	S	.	.	S	Bend	trans	82.2	11.8	-179.7	0	0	0	0	0	113.7	M242 D246 R249	M242-G251 VanDerWaalsContact CE-O 3.23Å; M242-G251 WeakPolarHBondContact CE-O 3.37Å; D246-G251 VanDerWaalsContact OD2-CA 3.3Å; D246-G251 WeakPolarHBondContact OD2-CA 3.48Å; D246-G251 PolarHBondContact OD2-N 3.44Å; R249-G251 VanDerWaalsContact C-N 3.29Å
252	K	96.3	Very high	93.1	Very high	71 Å²	71	60.8 Å²	60.8	31%	0.309	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	141.4	-177	-57.8	-171.4	174.5	-129.8	0	109.8	F58 E60 D250	F58-K252 HydrophobicContact CB-CB 4.02Å; F58-K252 HydrophobicContact CB-CD 4.2Å; F58-K252 HydrophobicContact CD1-CB 3.95Å; F58-K252 HydrophobicContact CD1-CD 4.23Å; F58-K252 HydrophobicContact CD2-CD 4.38Å; F58-K252 HydrophobicContact CG-CB 4.2Å; F58-K252 HydrophobicContact CG-CD 4.01Å; E60-K252 HydrophobicContact CG-CG 4.12Å; E60-K252 WeakPolarHBondContact OE1-CE 3.3Å; E60-K252 IonicContact OE1-NZ 3.85Å; E60-K252 PolarHBondContact OE1-NZ 3.41Å; D250-K252 VanDerWaalsContact C-N 3.34Å; D250-K252 WeakPolarHBondContact OD1-CA 3.44Å; D250-K252 VanDerWaalsContact OD1-CB 3.3Å; D250-K252 WeakPolarHBondContact OD1-CB 3.38Å; D250-K252 PolarHBondContact OD1-N 3.36Å
253	L	95.7	Very high	92.6	Very high	0 Å²	0	67 Å²	67	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	123.5	175.4	-59.7	-178.7	0	0	0	110.6	F58 I59 L64 M242 T245 D246 I258 W265	F58-L253 WeakPolarHBondContact CA-O 3.29Å; I59-L253 HydrophobicContact CB-CB 4.21Å; I59-L253 PolarHBondContact N-O 2.81Å; I59-L253 PolarHBondContact O-N 3.18Å; L64-L253 HydrophobicContact CD2-CD1 4.39Å; M242-L253 HydrophobicContact CE-CD2 4.34Å; M242-L253 HydrophobicContact CE-CG 3.89Å; M242-L253 HydrophobicContact SD-CD1 3.5Å; M242-L253 WeakPolarHBondContact SD-CD1 3.3Å; M242-L253 HydrophobicContact SD-CD2 4.24Å; M242-L253 HydrophobicContact SD-CG 3.52Å; M242-L253 VanDerWaalsContact SD-CG 3.52Å; T245-L253 HydrophobicContact CG2-CD1 4.24Å; T245-L253 HydrophobicContact CG2-CD2 3.87Å; D246-L253 HydrophobicContact CB-CD2 3.6Å; L253-I258 HydrophobicContact CB-CD1 3.94Å; L253-I258 HydrophobicContact CB-CG1 4.19Å; L253-I258 HydrophobicContact CD1-CD1 4.31Å; L253-I258 HydrophobicContact CD1-CG1 4.27Å; L253-W265 HydrophobicContact CD1-CH2 4.16Å; L253-W265 HydrophobicContact CD1-CZ2 3.72Å
254	T	95.8	Very high	92	Very high	30 Å²	30	63.2 Å²	63.2	18%	0.184	34%	0.337	C	S	.	.			trans	-83.4	155.7	165.1	60.6	0	0	0	0	110.7	F58 E256 E257 I258	F58-T254 HydrophobicContact CD1-CG2 3.83Å; F58-T254 HydrophobicContact CE1-CG2 3.7Å; T254-E256 PolarHBondContact O-N 2.9Å; T254-E257 PolarHBondContact N-OE2 3.07Å; T254-E257 PolarHBondContact O-N 2.89Å; T254-E257 VanDerWaalsContact OG1-CG 3.26Å; T254-E257 WeakPolarHBondContact OG1-CG 3.47Å; T254-E257 PolarHBondContact OG1-N 3.25Å; T254-E257 PolarHBondContact OG1-OE2 3.36Å; T254-I258 PolarHBondContact O-N 3.37Å; T254-I258 VanDerWaalsContact O-N 3.14Å
255	L	93.4	Very high	91.7	Very high	45 Å²	45	59.8 Å²	59.8	24%	0.236	32%	0.319	C	S	.	.	H	α-helix	trans	-57	-36.4	172.9	176	63.7	0	0	0	111.7	H45 F48 I258 L259	H45-L255 VanDerWaalsContact CD2-CD2 3.46Å; H45-L255 WeakPolarHBondContact CD2-CD2 3.26Å; F48-L255 HydrophobicContact CB-CD1 3.9Å; F48-L255 HydrophobicContact CD1-CB 4.44Å; F48-L255 HydrophobicContact CD2-CB 3.94Å; F48-L255 HydrophobicContact CD2-CD1 4.12Å; F48-L255 HydrophobicContact CE1-CB 4.49Å; F48-L255 HydrophobicContact CE2-CB 3.99Å; F48-L255 VanDerWaalsContact CE2-N 3.32Å; F48-L255 HydrophobicContact CG-CB 4.18Å; F48-L255 HydrophobicContact CG-CD1 4.01Å; F48-L255 HydrophobicContact CZ-CB 4.26Å; L255-I258 PolarHBondContact O-N 2.84Å; L255-L259 HydrophobicContact CD1-CD1 4.15Å; L255-L259 HydrophobicContact CD1-CG 4.11Å; L255-L259 HydrophobicContact CG-CD1 3.93Å; L255-L259 HydrophobicContact CG-CG 4.34Å; L255-L259 WeakPolarHBondContact O-CB 3.33Å; L255-L259 VanDerWaalsContact O-CG 3.25Å; L255-L259 WeakPolarHBondContact O-CG 3.45Å; L255-L259 PolarHBondContact O-N 2.93Å
256	E	93.9	Very high	91	Very high	156 Å²	156	65.3 Å²	65.3	73%	0.729	34%	0.343	S	S	*	.	H	α-helix	trans	-62.4	-43.4	178.4	-68.7	164.2	178.4	0	0	111.8	T254 L259 A260	T254-E256 PolarHBondContact O-N 2.9Å; E256-L259 PolarHBondContact O-N 2.93Å; E256-A260 VanDerWaalsContact O-CB 3.3Å; E256-A260 WeakPolarHBondContact O-CB 3.04Å; E256-A260 PolarHBondContact O-N 3.3Å
257	E	94.4	Very high	90	Very high	19 Å²	19	69.8 Å²	69.8	9%	0.089	37%	0.367	C	S	.	.	H	α-helix	trans	-65.6	-40.1	175.9	-72.8	169.6	123.4	0	0	112.5	T245 S247 T254 A260 K261	T245-E257 HydrophobicContact CG2-CB 4.25Å; S247-E257 PolarHBondContact N-OE1 2.88Å; T254-E257 PolarHBondContact N-OE2 3.07Å; T254-E257 PolarHBondContact O-N 2.89Å; T254-E257 VanDerWaalsContact OG1-CG 3.26Å; T254-E257 WeakPolarHBondContact OG1-CG 3.47Å; T254-E257 PolarHBondContact OG1-N 3.25Å; T254-E257 PolarHBondContact OG1-OE2 3.36Å; E257-A260 PolarHBondContact O-N 3.24Å; E257-K261 PolarHBondContact O-N 3.41Å; E257-K261 VanDerWaalsContact O-N 3.16Å
258	I	92.3	Very high	89.3	Confident	3 Å²	3	66.4 Å²	66.4	2%	0.015	34%	0.343	C	S	.	.	H	α-helix	trans	-64.3	-44.9	177	-70.4	165	0	0	0	110.6	L44 F48 I59 T245 L253 T254 L255 K261 S262 W265	L44-I258 HydrophobicContact CB-CG2 4.45Å; L44-I258 HydrophobicContact CD1-CG2 4.21Å; L44-I258 HydrophobicContact CD2-CG2 4.13Å; F48-I258 HydrophobicContact CD2-CD1 3.64Å; F48-I258 HydrophobicContact CE2-CD1 3.92Å; I59-I258 HydrophobicContact CD1-CD1 3.8Å; T245-I258 HydrophobicContact CG2-CG1 3.92Å; L253-I258 HydrophobicContact CB-CD1 3.94Å; L253-I258 HydrophobicContact CB-CG1 4.19Å; L253-I258 HydrophobicContact CD1-CD1 4.31Å; L253-I258 HydrophobicContact CD1-CG1 4.27Å; T254-I258 PolarHBondContact O-N 3.37Å; T254-I258 VanDerWaalsContact O-N 3.14Å; L255-I258 PolarHBondContact O-N 2.84Å; I258-K261 CarbonylContact O-C 3.18Å; I258-K261 VanDerWaalsContact O-C 3.29Å; I258-K261 PolarHBondContact O-N 2.88Å; I258-S262 WeakPolarHBondContact O-CA 3.5Å; I258-S262 PolarHBondContact O-N 3.08Å; I258-W265 HydrophobicContact CD1-CH2 4.02Å; I258-W265 HydrophobicContact CD1-CZ2 4.1Å; I258-W265 HydrophobicContact CG1-CH2 4.18Å; I258-W265 HydrophobicContact CG1-CZ2 3.75Å; I258-W265 HydrophobicContact CG2-CD2 4.08Å; I258-W265 HydrophobicContact CG2-CE3 4.38Å; I258-W265 HydrophobicContact CG2-CG 4.46Å; I258-W265 HydrophobicContact CG2-CZ2 4.42Å
259	L	91.5	Very high	88.4	Confident	46 Å²	46	64.2 Å²	64.2	24%	0.241	33%	0.33	C	S	.	.	H	α-helix	trans	-65	-40.2	176.6	-69.7	171.9	0	0	0	111.7	E41 L44 L255 E256 K261 S262	E41-L259 HydrophobicContact CB-CD2 3.94Å; E41-L259 HydrophobicContact CG-CD2 4.28Å; L44-L259 HydrophobicContact CB-CD2 4.12Å; L44-L259 HydrophobicContact CD1-CD2 4.1Å; L255-L259 HydrophobicContact CD1-CD1 4.15Å; L255-L259 HydrophobicContact CD1-CG 4.11Å; L255-L259 HydrophobicContact CG-CD1 3.93Å; L255-L259 HydrophobicContact CG-CG 4.34Å; L255-L259 WeakPolarHBondContact O-CB 3.33Å; L255-L259 VanDerWaalsContact O-CG 3.25Å; L255-L259 WeakPolarHBondContact O-CG 3.45Å; L255-L259 PolarHBondContact O-N 2.93Å; E256-L259 PolarHBondContact O-N 2.93Å; L259-K261 PolarHBondContact O-N 3.5Å; L259-S262 WeakPolarHBondContact O-CB 3.34Å; L259-S262 PolarHBondContact O-N 3.02Å
260	A	91.9	Very high	87.5	Confident	83 Å²	83	53.7 Å²	53.7	69%	0.686	29%	0.29	S	S	*	.	H	α-helix	trans	-62.1	-28	177.4	0	0	0	0	0	112.8	E256 E257	E256-A260 VanDerWaalsContact O-CB 3.3Å; E256-A260 WeakPolarHBondContact O-CB 3.04Å; E256-A260 PolarHBondContact O-N 3.3Å; E257-A260 PolarHBondContact O-N 3.24Å
261	K	89.1	Confident	86.6	Confident	63 Å²	63	50.1 Å²	50.1	27%	0.274	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.7	32	176.8	-58.2	-166.9	-164.2	145.7	0	113	L244 T245 S247 E257 I258 L259 H263 S264	L244-K261 WeakPolarHBondContact O-CD 3.42Å; L244-K261 VanDerWaalsContact O-CE 3.32Å; L244-K261 WeakPolarHBondContact O-CE 3.47Å; L244-K261 PolarHBondContact O-NZ 3.46Å; T245-K261 PolarHBondContact O-NZ 2.91Å; S247-K261 WeakPolarHBondContact OG-CE 3.29Å; S247-K261 PolarHBondContact OG-NZ 3.48Å; E257-K261 PolarHBondContact O-N 3.41Å; E257-K261 VanDerWaalsContact O-N 3.16Å; I258-K261 CarbonylContact O-C 3.18Å; I258-K261 VanDerWaalsContact O-C 3.29Å; I258-K261 PolarHBondContact O-N 2.88Å; L259-K261 PolarHBondContact O-N 3.5Å; K261-H263 PolarHBondContact O-N 3.42Å; K261-H263 VanDerWaalsContact O-N 3.08Å; K261-S264 WeakPolarHBondContact O-CB 3.28Å; K261-S264 PolarHBondContact O-N 2.87Å
262	S	85	Confident	85.4	Confident	25 Å²	25	52.8 Å²	52.8	18%	0.175	27%	0.272	C	S	.	.	H	α-helix	trans	-51.4	-37.9	-176.9	65.2	0	0	0	0	113.1	F40 I258 L259 S264 W265 K266	F40-S262 VanDerWaalsContact CE1-O 3.3Å; F40-S262 WeakPolarHBondContact CE1-O 3.26Å; I258-S262 WeakPolarHBondContact O-CA 3.5Å; I258-S262 PolarHBondContact O-N 3.08Å; L259-S262 WeakPolarHBondContact O-CB 3.34Å; L259-S262 PolarHBondContact O-N 3.02Å; S262-S264 VanDerWaalsContact C-N 3.29Å; S262-S264 PolarHBondContact O-N 3.39Å; S262-W265 WeakPolarHBondContact O-CB 3.45Å; S262-W265 PolarHBondContact O-N 3.35Å; S262-K266 PolarHBondContact O-N 2.8Å
263	H	82.6	Confident	83.7	Confident	142 Å²	142	49.6 Å²	49.6	66%	0.657	26%	0.258	S	S	*	.	H	α-helix	trans	-58.8	-37.9	179.1	-169.6	58.8	0	0	0	113.2	K261 W265 K266	K261-H263 PolarHBondContact O-N 3.42Å; K261-H263 VanDerWaalsContact O-N 3.08Å; H263-W265 PolarHBondContact O-N 2.76Å; H263-K266 PolarHBondContact O-N 2.96Å
264	S	81.4	Confident	81.5	Confident	48 Å²	48	50 Å²	50	34%	0.336	26%	0.261	S	S	.	.	H	α-helix	trans	-68.5	-22.8	177.7	-59.4	0	0	0	0	113	K261 S262	K261-S264 WeakPolarHBondContact O-CB 3.28Å; K261-S264 PolarHBondContact O-N 2.87Å; S262-S264 VanDerWaalsContact C-N 3.29Å; S262-S264 PolarHBondContact O-N 3.39Å
265	W	84.5	Confident	79.1	Confident	2 Å²	2	54.9 Å²	54.9	1%	0.008	28%	0.277	C	S	.	.	H	α-helix	trans	-83.9	-27.6	177.4	-73.4	64.6	0	0	0	111.9	F40 L44 I51 L64 T245 L253 I258 S262 H263 D267 S268 V270 V271	F40-W265 HydrophobicContact CZ-CB 4.43Å; L44-W265 HydrophobicContact CD2-CB 4.14Å; L44-W265 HydrophobicContact CD2-CE3 4.38Å; I51-W265 HydrophobicContact CD1-CZ3 4.34Å; L64-W265 HydrophobicContact CD1-CH2 3.78Å; L64-W265 HydrophobicContact CD1-CZ3 4.05Å; L64-W265 HydrophobicContact CD2-CH2 4.13Å; T245-W265 HydrophobicContact CG2-CZ2 4.43Å; T245-W265 PolarHBondContact OG1-NE1 2.78Å; L253-W265 HydrophobicContact CD1-CH2 4.16Å; L253-W265 HydrophobicContact CD1-CZ2 3.72Å; I258-W265 HydrophobicContact CD1-CH2 4.02Å; I258-W265 HydrophobicContact CD1-CZ2 4.1Å; I258-W265 HydrophobicContact CG1-CH2 4.18Å; I258-W265 HydrophobicContact CG1-CZ2 3.75Å; I258-W265 HydrophobicContact CG2-CD2 4.08Å; I258-W265 HydrophobicContact CG2-CE3 4.38Å; I258-W265 HydrophobicContact CG2-CG 4.46Å; I258-W265 HydrophobicContact CG2-CZ2 4.42Å; S262-W265 WeakPolarHBondContact O-CB 3.45Å; S262-W265 PolarHBondContact O-N 3.35Å; H263-W265 PolarHBondContact O-N 2.76Å; W265-D267 PolarHBondContact O-N 2.93Å; W265-D267 VanDerWaalsContact O-N 3.16Å; W265-S268 WeakPolarHBondContact O-CB 3.37Å; W265-S268 PolarHBondContact O-N 2.92Å; W265-S268 PolarHBondContact O-OG 2.69Å; W265-V270 HydrophobicContact CE3-CB 4.03Å; W265-V270 HydrophobicContact CE3-CG1 3.86Å; W265-V270 HydrophobicContact CE3-CG2 4.02Å; W265-V270 HydrophobicContact CZ3-CB 4.11Å; W265-V270 HydrophobicContact CZ3-CG1 3.69Å; W265-V270 HydrophobicContact CZ3-CG2 3.79Å; W265-V271 WeakPolarHBondContact O-CG2 3.38Å
266	K	78.4	Confident	77	Confident	116 Å²	116	54.8 Å²	54.8	50%	0.504	28%	0.279	S	S	.	.	H	α-helix	trans	-56	-36.4	-176.2	-169.9	176.9	179.4	178.2	0	114	F40 S262 H263 V271	F40-K266 HydrophobicContact CE1-CB 4.25Å; F40-K266 HydrophobicContact CE2-CB 4.36Å; F40-K266 HydrophobicContact CE2-CG 4.34Å; F40-K266 HydrophobicContact CZ-CB 3.89Å; F40-K266 HydrophobicContact CZ-CG 4.35Å; S262-K266 PolarHBondContact O-N 2.8Å; H263-K266 PolarHBondContact O-N 2.96Å; K266-V271 WeakPolarHBondContact O-CG2 3.42Å
267	D	73.1	Confident	74.9	Confident	114 Å²	114	48.7 Å²	48.7	61%	0.61	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.1	-2.6	-179.9	-61.3	-36.9	0	0	0	113.1	W265 K272	W265-D267 PolarHBondContact O-N 2.93Å; W265-D267 VanDerWaalsContact O-N 3.16Å; D267-K272 WeakPolarHBondContact O-CE 3.33Å
268	S	79.7	Confident	72.7	Confident	1 Å²	1	50.2 Å²	50.2	1%	0.007	26%	0.257	C	S	.	.	S	Bend	trans	-75.6	164.7	-178	90.4	0	0	0	0	111.7	W265 V270 V271	W265-S268 WeakPolarHBondContact O-CB 3.37Å; W265-S268 PolarHBondContact O-N 2.92Å; W265-S268 PolarHBondContact O-OG 2.69Å; S268-V270 PolarHBondContact O-N 2.97Å; S268-V270 WeakPolarHBondContact OG-CB 3.48Å; S268-V270 PolarHBondContact OG-N 2.85Å; S268-V271 WeakPolarHBondContact O-CG2 3.49Å
269	Q	74.7	Confident	70.4	Confident	46 Å²	46	56.7 Å²	56.7	22%	0.215	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-71.9	-17.6	179.2	-59.7	-69.5	-11.8	0	0	112.3	I68 T71 Y72 E237 V271 K272	I68-Q269 HydrophobicContact CG2-CB 4.13Å; T71-Q269 WeakPolarHBondContact CG2-O 3.5Å; Y72-Q269 HydrophobicContact CE1-CB 3.82Å; Y72-Q269 HydrophobicContact CE1-CG 3.67Å; Y72-Q269 WeakPolarHBondContact OH-CG 3.21Å; E237-Q269 HydrophobicContact CG-CG 4.44Å; Q269-V271 VanDerWaalsContact C-N 3.3Å; Q269-V271 PolarHBondContact O-N 3.31Å; Q269-K272 VanDerWaalsContact NE2-NZ 3.1Å; Q269-K272 PolarHBondContact O-N 3.26Å
270	V	75	Confident	67.9	Low	0 Å²	0	62.4 Å²	62.4	0%	0	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-59.9	-39.2	179.9	179.8	0	0	0	0	112.3	I51 L64 W67 I68 L241 W265 S268	I51-V270 HydrophobicContact CD1-CG1 3.82Å; L64-V270 HydrophobicContact CD1-CG2 3.84Å; W67-V270 PolarHBondContact NE1-O 2.76Å; I68-V270 HydrophobicContact CD1-CG2 4.17Å; I68-V270 HydrophobicContact CG1-CG2 3.9Å; L241-V270 HydrophobicContact CD1-CG2 3.65Å; W265-V270 HydrophobicContact CE3-CB 4.03Å; W265-V270 HydrophobicContact CE3-CG1 3.86Å; W265-V270 HydrophobicContact CE3-CG2 4.02Å; W265-V270 HydrophobicContact CZ3-CB 4.11Å; W265-V270 HydrophobicContact CZ3-CG1 3.69Å; W265-V270 HydrophobicContact CZ3-CG2 3.79Å; S268-V270 PolarHBondContact O-N 2.97Å; S268-V270 WeakPolarHBondContact OG-CB 3.48Å; S268-V270 PolarHBondContact OG-N 2.85Å
271	V	75.8	Confident	65.3	Low	3 Å²	3	66.7 Å²	66.7	2%	0.018	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-100.5	-4.8	-172.9	-75.5	0	0	0	0	113.3	F40 L44 Y47 W265 K266 S268 Q269 H273	F40-V271 HydrophobicContact CE2-CB 4.41Å; F40-V271 HydrophobicContact CE2-CG1 3.84Å; F40-V271 HydrophobicContact CZ-CG1 4.08Å; L44-V271 HydrophobicContact CD2-CG1 4.4Å; Y47-V271 HydrophobicContact CD2-CG1 3.88Å; Y47-V271 HydrophobicContact CE2-CB 4.32Å; Y47-V271 HydrophobicContact CE2-CG1 3.58Å; W265-V271 WeakPolarHBondContact O-CG2 3.38Å; K266-V271 WeakPolarHBondContact O-CG2 3.42Å; S268-V271 WeakPolarHBondContact O-CG2 3.49Å; Q269-V271 VanDerWaalsContact C-N 3.3Å; Q269-V271 PolarHBondContact O-N 3.31Å; V271-H273 PolarHBondContact O-N 3.14Å
272	K	69.1	Low	64.2	Low	96 Å²	96	66.9 Å²	66.9	42%	0.417	33%	0.33	S	S	.	.	S	Bend	trans	-73.3	-12	179.4	-79.7	174.7	-175.2	175.6	0	113	D267 Q269	D267-K272 WeakPolarHBondContact O-CE 3.33Å; Q269-K272 VanDerWaalsContact NE2-NZ 3.1Å; Q269-K272 PolarHBondContact O-N 3.26Å
273	H	60.1	Low	63.1	Low	3 Å²	3	69.1 Å²	69.1	1%	0.014	34%	0.338	C	S	.	.			trans	-110.4	128.3	167.9	-118.1	-47.1	0	0	0	113.6	Y47 T71 S74 L75 E78 V271	Y47-H273 PolarHBondContact OH-O 2.97Å; Y47-H273 VanDerWaalsContact OH-O 3.13Å; T71-H273 HydrophobicContact CG2-CB 3.76Å; T71-H273 PolarHBondContact O-CD2 2.92Å; S74-H273 WeakPolarHBondContact CB-NE2 3.21Å; S74-H273 PolarHBondContact O-NE2 3.49Å; S74-H273 PolarHBondContact OG-CD2 3.01Å; S74-H273 VanDerWaalsContact OG-CD2 3.22Å; S74-H273 PolarHBondContact OG-CE1 2.94Å; S74-H273 VanDerWaalsContact OG-CE1 3.29Å; S74-H273 PolarHBondContact OG-NE2 3.23Å; L75-H273 WeakPolarHBondContact CA-NE2 3.3Å; L75-H273 VanDerWaalsContact CD2-NE2 3.28Å; L75-H273 WeakPolarHBondContact CD2-NE2 3.11Å; L75-H273 WeakPolarHBondContact CG-CD2 3.06Å; L75-H273 WeakPolarHBondContact CG-NE2 3.43Å; L75-H273 PolarHBondContact N-NE2 3.47Å; E78-H273 IonicContact OE2-CE1 3.36Å; E78-H273 PolarHBondContact OE2-CE1 3.05Å; V271-H273 PolarHBondContact O-N 3.14Å
274	A	49.7	Very low	62	Low	9 Å²	9	65 Å²	65	7%	0.074	32%	0.32	C	S	.	.			trans	-143.1	10.9	173.3	0	0	0	0	0	112.4	I34 W278	I34-A274 HydrophobicContact CB-CB 4.31Å; I34-A274 HydrophobicContact CD1-CB 3.93Å; I34-A274 WeakPolarHBondContact CD1-O 3.02Å; I34-A274 VanDerWaalsContact CG2-O 3.23Å; I34-A274 WeakPolarHBondContact CG2-O 3.35Å; A274-W278 PolarHBondContact O-NE1 2.9Å
275	R	45.7	Very low	60.8	Low	133 Å²	133	66 Å²	66	50%	0.502	32%	0.319	S	S	.	.	S	Bend	trans	-106.1	-63.3	-178.6	-145.2	166.3	-162.2	-156.3	-2.6	113.9	I34 L277 W278	I34-R275 HydrophobicContact CD1-CB 3.41Å; I34-R275 VanDerWaalsContact CD1-CB 3.41Å; I34-R275 HydrophobicContact CD1-CG 3.53Å; I34-R275 HydrophobicContact CG1-CG 4.47Å; R275-L277 VanDerWaalsContact C-N 3.3Å; R275-L277 PolarHBondContact O-N 3.49Å; R275-W278 PolarHBondContact O-N 3.24Å; R275-W278 VanDerWaalsContact O-N 3.17Å
276	S	49.4	Very low	59.3	Low	42 Å²	42	70 Å²	70	29%	0.294	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-61.5	-37.3	-173	73.1	0	0	0	0	113.3	S74 W278 D279	S74-S276 VanDerWaalsContact OG-CB 3.31Å; S74-S276 WeakPolarHBondContact OG-CB 3.47Å; S74-S276 PolarHBondContact OG-OG 2.93Å; S276-W278 PolarHBondContact O-N 3.19Å; S276-D279 PolarHBondContact O-N 2.82Å
277	L	49.2	Very low	58.1	Low	29 Å²	29	66.9 Å²	66.9	15%	0.152	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-76.3	-7.2	-175.7	-68.3	167.2	0	0	0	113.6	K50 W67 R275	K50-L277 PolarHBondContact NZ-O 3.25Å; W67-L277 HydrophobicContact CH2-CD1 3.39Å; W67-L277 HydrophobicContact CZ2-CD1 3.73Å; W67-L277 HydrophobicContact CZ3-CD1 3.9Å; R275-L277 VanDerWaalsContact C-N 3.3Å; R275-L277 PolarHBondContact O-N 3.49Å
278	W	48.3	Very low	57	Low	51 Å²	51	63.6 Å²	63.6	19%	0.193	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-96.5	-18.4	178.2	-64.9	80.9	0	0	0	112.9	L35 V46 A274 R275 S276 E280 L281	L35-W278 HydrophobicContact CD1-CH2 3.72Å; L35-W278 HydrophobicContact CD1-CZ2 3.78Å; L35-W278 HydrophobicContact CD1-CZ3 4.46Å; V46-W278 HydrophobicContact CB-CH2 4Å; V46-W278 HydrophobicContact CG1-CH2 3.44Å; V46-W278 VanDerWaalsContact CG1-CH2 3.44Å; V46-W278 HydrophobicContact CG1-CZ2 4.01Å; V46-W278 HydrophobicContact CG1-CZ3 4.07Å; V46-W278 HydrophobicContact CG2-CH2 4.11Å; A274-W278 PolarHBondContact O-NE1 2.9Å; R275-W278 PolarHBondContact O-N 3.24Å; R275-W278 VanDerWaalsContact O-N 3.17Å; S276-W278 PolarHBondContact O-N 3.19Å; W278-E280 VanDerWaalsContact C-N 3.26Å; W278-L281 HydrophobicContact CD2-CD1 4.33Å; W278-L281 HydrophobicContact CE3-CD1 3.45Å; W278-L281 VanDerWaalsContact CE3-CD1 3.45Å; W278-L281 HydrophobicContact CZ3-CD1 4.03Å
279	D	44.8	Very low	55.3	Low	138 Å²	138	68.4 Å²	68.4	74%	0.738	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-9.4	173.9	-66.8	-26.1	0	0	0	112.3	S276	S276-D279 PolarHBondContact O-N 2.82Å
280	E	39.3	Very low	53.6	Low	166 Å²	166	70.3 Å²	70.3	78%	0.776	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	7.7	171.6	-65.1	-172.8	173.7	0	0	114.2	W278	W278-E280 VanDerWaalsContact C-N 3.26Å
281	L	37.4	Very low	51.7	Low	173 Å²	173	76.6 Å²	76.6	91%	0.906	37%	0.371	S	S	*	.			trans	-88.9	0	173.9	-81.7	160.6	0	0	0	112.2	W278	W278-L281 HydrophobicContact CD2-CD1 4.33Å; W278-L281 HydrophobicContact CE3-CD1 3.45Å; W278-L281 VanDerWaalsContact CE3-CD1 3.45Å; W278-L281 HydrophobicContact CZ3-CD1 4.03Å

Retrieved 281 of 281 residues in 59 ms (Link to these results)

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