A0A087YF47_POEFO Loading...

Heparan-sulfate 6-O-sulfotransferase

6-O-sulfation enzyme which catalyzes the transfer of sulfate from 3'-phosphoadenosine 5'-phosphosulfate (PAPS) to position 6 of the N-sulfoglucosamine residue (GlcNS) of heparan sulfate.

AlphaFold DB , UniProt , Accession A0A087YF47, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 435 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	52.7	Low	62.3	Low	231 Å²	231	136.9 Å²	136.9	100%	1.138	68%	0.683	S	S	*	*				0	-23.1	0	-127.4	174.4	-80.2	0	0	114
2	V	54.5	Low	63.6	Low	130 Å²	130	131.7 Å²	131.7	79%	0.788	66%	0.664	S	S	*	*	H	α-helix	trans	-70.3	-42.4	-172	-179.6	0	0	0	0	115	R4 S5	V2-R4 VanDerWaalsContact C-N 3.34Å; V2-R4 PolarHBondContact O-N 3.28Å; V2-S5 PolarHBondContact O-N 3.13Å
3	E	55	Low	64.8	Low	152 Å²	152	128.3 Å²	128.3	71%	0.71	65%	0.648	S	S	*	*	H	α-helix	trans	-61.6	-33.3	-175.8	-84.4	-170.4	107.6	0	0	115.2	S5 S6 K7	E3-S5 VanDerWaalsContact C-N 3.29Å; E3-S5 PolarHBondContact O-N 3.12Å; E3-S6 PolarHBondContact O-N 3.43Å; E3-K7 PolarHBondContact O-N 3.27Å
4	R	54.1	Low	66	Low	223 Å²	223	122 Å²	122	84%	0.842	63%	0.631	S	S	*	*	H	α-helix	trans	-68.8	-30.8	-177.7	-122.7	179.8	-177.3	176.7	0.7	111.9	V2 F8	V2-R4 VanDerWaalsContact C-N 3.34Å; V2-R4 PolarHBondContact O-N 3.28Å; R4-F8 PolarHBondContact O-N 2.63Å
5	S	55.6	Low	66.9	Low	85 Å²	85	118.5 Å²	118.5	59%	0.594	62%	0.621	S	S	*	*	H	α-helix	trans	-71.4	-41.5	178.7	-161.9	0	0	0	0	111.8	V2 E3 K7 F8 L9	V2-S5 PolarHBondContact O-N 3.13Å; E3-S5 VanDerWaalsContact C-N 3.29Å; E3-S5 PolarHBondContact O-N 3.12Å; S5-K7 PolarHBondContact O-N 2.84Å; S5-F8 PolarHBondContact O-N 2.78Å; S5-L9 WeakPolarHBondContact O-CB 3.4Å; S5-L9 PolarHBondContact O-N 2.85Å
6	S	61.1	Low	67.7	Low	66 Å²	66	116.1 Å²	116.1	46%	0.462	61%	0.612	S	S	.	*	H	α-helix	trans	-60.7	-44.4	178.4	173.7	0	0	0	0	112.9	E3 F8 L9 L10	E3-S6 PolarHBondContact O-N 3.43Å; S6-F8 PolarHBondContact O-N 2.82Å; S6-L9 PolarHBondContact O-N 3.4Å; S6-L10 WeakPolarHBondContact O-CG 3.26Å; S6-L10 PolarHBondContact O-N 2.83Å
7	K	62.5	Low	68.2	Low	135 Å²	135	112.9 Å²	112.9	59%	0.587	60%	0.601	S	S	*	*	H	α-helix	trans	-66	-37.5	177.8	-66.2	-179.7	-177.6	175.2	0	112	E3 S5 I11	E3-K7 PolarHBondContact O-N 3.27Å; S5-K7 PolarHBondContact O-N 2.84Å; K7-I11 WeakPolarHBondContact O-CD1 3.49Å; K7-I11 VanDerWaalsContact O-CG1 3.31Å; K7-I11 WeakPolarHBondContact O-CG1 3.34Å; K7-I11 PolarHBondContact O-N 3.49Å
8	F	70.6	Confident	68.8	Low	146 Å²	146	114 Å²	114	64%	0.64	60%	0.6	S	S	*	*	H	α-helix	trans	-67.6	-41.9	176.2	-138.7	-88.5	0	0	0	111.8	R4 S5 S6 L10 I11 V12	R4-F8 PolarHBondContact O-N 2.63Å; S5-F8 PolarHBondContact O-N 2.78Å; S6-F8 PolarHBondContact O-N 2.82Å; F8-L10 PolarHBondContact O-N 2.92Å; F8-I11 PolarHBondContact O-N 2.91Å; F8-V12 HydrophobicContact CD1-CG2 4.19Å; F8-V12 HydrophobicContact CE1-CG2 4.5Å; F8-V12 WeakPolarHBondContact O-CG2 3.32Å; F8-V12 PolarHBondContact O-N 3.24Å
9	L	70.8	Confident	69.2	Low	107 Å²	107	114.5 Å²	114.5	56%	0.56	60%	0.601	S	S	*	*	H	α-helix	trans	-60.9	-42.6	176.6	-172.3	67.9	0	0	0	112	S5 S6 I11 V12 I13	S5-L9 WeakPolarHBondContact O-CB 3.4Å; S5-L9 PolarHBondContact O-N 2.85Å; S6-L9 PolarHBondContact O-N 3.4Å; L9-I11 PolarHBondContact O-N 2.91Å; L9-V12 PolarHBondContact O-N 3.39Å; L9-I13 HydrophobicContact CD1-CD1 4.3Å; L9-I13 HydrophobicContact CG-CD1 3.9Å; L9-I13 WeakPolarHBondContact O-CB 3.38Å; L9-I13 VanDerWaalsContact O-CG1 3.3Å; L9-I13 WeakPolarHBondContact O-CG1 3.49Å; L9-I13 PolarHBondContact O-N 2.95Å
10	L	71.6	Confident	69.3	Low	114 Å²	114	113.6 Å²	113.6	60%	0.597	60%	0.596	S	S	*	*	H	α-helix	trans	-64.2	-37.7	176	-73.8	168.9	0	0	0	112.9	S6 F8 G14	S6-L10 WeakPolarHBondContact O-CG 3.26Å; S6-L10 PolarHBondContact O-N 2.83Å; F8-L10 PolarHBondContact O-N 2.92Å; L10-G14 PolarHBondContact O-N 3.26Å
11	I	77.4	Confident	69.5	Low	117 Å²	117	112.4 Å²	112.4	60%	0.6	59%	0.589	S	S	*	*	H	α-helix	trans	-67.1	-41.9	175.3	-68	164.3	0	0	0	110.8	K7 F8 L9 G14 S15	K7-I11 WeakPolarHBondContact O-CD1 3.49Å; K7-I11 VanDerWaalsContact O-CG1 3.31Å; K7-I11 WeakPolarHBondContact O-CG1 3.34Å; K7-I11 PolarHBondContact O-N 3.49Å; F8-I11 PolarHBondContact O-N 2.91Å; L9-I11 PolarHBondContact O-N 2.91Å; I11-G14 PolarHBondContact O-N 3.27Å; I11-S15 VanDerWaalsContact O-CB 3.3Å; I11-S15 WeakPolarHBondContact O-CB 3.47Å; I11-S15 PolarHBondContact O-N 2.75Å
12	V	77.8	Confident	70.4	Confident	74 Å²	74	105.2 Å²	105.2	45%	0.448	56%	0.555	S	S	.	*	H	α-helix	trans	-64.6	-46.8	176.8	172	0	0	0	0	111.1	F8 L9 S15 V16	F8-V12 HydrophobicContact CD1-CG2 4.19Å; F8-V12 HydrophobicContact CE1-CG2 4.5Å; F8-V12 WeakPolarHBondContact O-CG2 3.32Å; F8-V12 PolarHBondContact O-N 3.24Å; L9-V12 PolarHBondContact O-N 3.39Å; V12-S15 PolarHBondContact O-N 2.71Å; V12-V16 WeakPolarHBondContact O-CG2 3.27Å; V12-V16 PolarHBondContact O-N 3.19Å
13	I	79.2	Confident	71	Confident	88 Å²	88	105 Å²	105	45%	0.451	54%	0.541	S	S	.	.	H	α-helix	trans	-62.7	-45.7	177	-67.8	168.2	0	0	0	110.7	L9 S15 V16 C17	L9-I13 HydrophobicContact CD1-CD1 4.3Å; L9-I13 HydrophobicContact CG-CD1 3.9Å; L9-I13 WeakPolarHBondContact O-CB 3.38Å; L9-I13 VanDerWaalsContact O-CG1 3.3Å; L9-I13 WeakPolarHBondContact O-CG1 3.49Å; L9-I13 PolarHBondContact O-N 2.95Å; I13-S15 VanDerWaalsContact C-N 3.33Å; I13-S15 PolarHBondContact O-N 2.79Å; I13-V16 PolarHBondContact O-N 3.16Å; I13-C17 PolarHBondContact O-N 3.18Å; I13-C17 PolarHBondContact O-SG 2.89Å; I13-C17 VanDerWaalsContact O-SG 3.36Å
14	G	81.4	Confident	71.4	Confident	40 Å²	40	104.6 Å²	104.6	41%	0.412	54%	0.539	S	S	.	.	H	α-helix	trans	-60	-40.7	176.9	0	0	0	0	0	113	L10 I11 C17 F18	L10-G14 PolarHBondContact O-N 3.26Å; I11-G14 PolarHBondContact O-N 3.27Å; G14-C17 PolarHBondContact O-N 3.12Å; G14-F18 WeakPolarHBondContact O-CB 3.31Å; G14-F18 PolarHBondContact O-N 2.68Å
15	S	79.8	Confident	71.8	Confident	69 Å²	69	103.3 Å²	103.3	48%	0.483	54%	0.535	S	S	.	.	H	α-helix	trans	-63.3	-44.5	174.8	-174.7	0	0	0	0	112.2	I11 V12 I13 F18 M19	I11-S15 VanDerWaalsContact O-CB 3.3Å; I11-S15 WeakPolarHBondContact O-CB 3.47Å; I11-S15 PolarHBondContact O-N 2.75Å; V12-S15 PolarHBondContact O-N 2.71Å; I13-S15 VanDerWaalsContact C-N 3.33Å; I13-S15 PolarHBondContact O-N 2.79Å; S15-F18 PolarHBondContact O-N 2.72Å; S15-M19 WeakPolarHBondContact O-CB 3.42Å; S15-M19 WeakPolarHBondContact O-CG 3.37Å; S15-M19 PolarHBondContact O-N 3.11Å
16	V	78.8	Confident	72.3	Confident	80 Å²	80	105 Å²	105	49%	0.485	54%	0.542	S	S	.	.	H	α-helix	trans	-62.7	-44.8	175.6	171.6	0	0	0	0	111.3	V12 I13 F18 M19 L20	V12-V16 WeakPolarHBondContact O-CG2 3.27Å; V12-V16 PolarHBondContact O-N 3.19Å; I13-V16 PolarHBondContact O-N 3.16Å; V16-F18 PolarHBondContact O-N 2.77Å; V16-M19 PolarHBondContact O-N 3.04Å; V16-L20 HydrophobicContact CG1-CD1 4.05Å; V16-L20 VanDerWaalsContact O-CG 3.31Å; V16-L20 WeakPolarHBondContact O-CG 3.18Å; V16-L20 PolarHBondContact O-N 2.9Å
17	C	75.8	Confident	72	Confident	63 Å²	63	103.4 Å²	103.4	43%	0.426	53%	0.533	S	S	.	.	H	α-helix	trans	-62.1	-41.9	176	-68.9	0	0	0	0	112.4	I13 G14 L20 I21	I13-C17 PolarHBondContact O-N 3.18Å; I13-C17 PolarHBondContact O-SG 2.89Å; I13-C17 VanDerWaalsContact O-SG 3.36Å; G14-C17 PolarHBondContact O-N 3.12Å; C17-L20 PolarHBondContact O-N 2.88Å; C17-I21 WeakPolarHBondContact O-CG1 3.26Å; C17-I21 PolarHBondContact O-N 3.24Å
18	F	79.9	Confident	71.1	Confident	132 Å²	132	102.5 Å²	102.5	58%	0.579	54%	0.541	S	S	*	.	H	α-helix	trans	-66.4	-40.2	177.8	-172.6	-108.3	0	0	0	112.3	G14 S15 V16 I21 L22	G14-F18 WeakPolarHBondContact O-CB 3.31Å; G14-F18 PolarHBondContact O-N 2.68Å; S15-F18 PolarHBondContact O-N 2.72Å; V16-F18 PolarHBondContact O-N 2.77Å; F18-I21 PolarHBondContact O-N 3.49Å; F18-L22 HydrophobicContact CD1-CD1 3.85Å; F18-L22 HydrophobicContact CE1-CD1 3.46Å; F18-L22 VanDerWaalsContact CE1-CD1 3.46Å; F18-L22 HydrophobicContact CE1-CG 4.18Å; F18-L22 HydrophobicContact CZ-CD1 4.03Å; F18-L22 HydrophobicContact CZ-CG 4.35Å; F18-L22 PolarHBondContact O-N 2.83Å
19	M	75.3	Confident	70.3	Confident	124 Å²	124	99 Å²	99	61%	0.611	55%	0.545	S	S	*	.	H	α-helix	trans	-63.2	-39.9	173	-76.4	-64.2	-141.5	0	0	112.4	S15 V16 L22 Y23	S15-M19 WeakPolarHBondContact O-CB 3.42Å; S15-M19 WeakPolarHBondContact O-CG 3.37Å; S15-M19 PolarHBondContact O-N 3.11Å; V16-M19 PolarHBondContact O-N 3.04Å; M19-L22 PolarHBondContact O-N 2.83Å; M19-Y23 VanDerWaalsContact O-CB 3.3Å; M19-Y23 WeakPolarHBondContact O-CB 3.3Å; M19-Y23 PolarHBondContact O-N 2.93Å
20	L	71.5	Confident	69.6	Low	95 Å²	95	98.8 Å²	98.8	50%	0.497	55%	0.548	S	S	.	.	H	α-helix	trans	-64.2	-38.7	175.5	-72.6	168.3	0	0	0	112.3	V16 C17 Y23 Q24	V16-L20 HydrophobicContact CG1-CD1 4.05Å; V16-L20 VanDerWaalsContact O-CG 3.31Å; V16-L20 WeakPolarHBondContact O-CG 3.18Å; V16-L20 PolarHBondContact O-N 2.9Å; C17-L20 PolarHBondContact O-N 2.88Å; L20-Y23 PolarHBondContact O-N 3.23Å; L20-Q24 WeakPolarHBondContact O-CG 3.35Å; L20-Q24 PolarHBondContact O-N 3.14Å
21	I	74.1	Confident	68.1	Low	89 Å²	89	99 Å²	99	46%	0.456	55%	0.549	S	S	.	.	H	α-helix	trans	-65.3	-48.8	174.7	-67.4	164	0	0	0	110.4	C17 F18 Y23 Q24 Y25	C17-I21 WeakPolarHBondContact O-CG1 3.26Å; C17-I21 PolarHBondContact O-N 3.24Å; F18-I21 PolarHBondContact O-N 3.49Å; I21-Y23 VanDerWaalsContact C-N 3.29Å; I21-Y23 PolarHBondContact O-N 3.24Å; I21-Q24 PolarHBondContact O-N 2.92Å; I21-Y25 HydrophobicContact CG2-CD2 4.35Å; I21-Y25 HydrophobicContact CG2-CE2 4.41Å; I21-Y25 WeakPolarHBondContact O-CD2 3.2Å; I21-Y25 PolarHBondContact O-N 3.49Å
22	L	72.1	Confident	66.4	Low	80 Å²	80	100.5 Å²	100.5	42%	0.419	56%	0.558	S	S	.	*	H	α-helix	trans	-59.2	-40.2	175.8	-77.1	173.8	0	0	0	112	F18 M19 Q24 Y25 V26	F18-L22 HydrophobicContact CD1-CD1 3.85Å; F18-L22 HydrophobicContact CE1-CD1 3.46Å; F18-L22 VanDerWaalsContact CE1-CD1 3.46Å; F18-L22 HydrophobicContact CE1-CG 4.18Å; F18-L22 HydrophobicContact CZ-CD1 4.03Å; F18-L22 HydrophobicContact CZ-CG 4.35Å; F18-L22 PolarHBondContact O-N 2.83Å; M19-L22 PolarHBondContact O-N 2.83Å; L22-Q24 VanDerWaalsContact C-N 3.34Å; L22-Q24 PolarHBondContact O-N 2.97Å; L22-Y25 PolarHBondContact O-N 3.5Å; L22-Y25 VanDerWaalsContact O-N 3.14Å; L22-V26 WeakPolarHBondContact O-CG2 2.9Å; L22-V26 PolarHBondContact O-N 3.34Å
23	Y	65.5	Low	64.5	Low	127 Å²	127	106.1 Å²	106.1	50%	0.498	58%	0.577	S	S	.	*	H	α-helix	trans	-65.8	-35.5	178.6	-156.3	-95.4	0	0	0	112.5	M19 L20 I21 Y25 V26 A27 V30	M19-Y23 VanDerWaalsContact O-CB 3.3Å; M19-Y23 WeakPolarHBondContact O-CB 3.3Å; M19-Y23 PolarHBondContact O-N 2.93Å; L20-Y23 PolarHBondContact O-N 3.23Å; I21-Y23 VanDerWaalsContact C-N 3.29Å; I21-Y23 PolarHBondContact O-N 3.24Å; Y23-Y25 VanDerWaalsContact C-N 3.3Å; Y23-Y25 PolarHBondContact O-N 2.97Å; Y23-V26 PolarHBondContact O-N 3.08Å; Y23-A27 HydrophobicContact CE1-CB 4.25Å; Y23-A27 PolarHBondContact O-N 3.41Å; Y23-V30 HydrophobicContact CE1-CG2 4.31Å
24	Q	64.8	Low	62.7	Low	142 Å²	142	105.7 Å²	105.7	66%	0.664	59%	0.594	S	S	*	*	H	α-helix	trans	-64.3	-30.7	172.1	-79.2	179.1	-24.4	0	0	113.4	L20 I21 L22	L20-Q24 WeakPolarHBondContact O-CG 3.35Å; L20-Q24 PolarHBondContact O-N 3.14Å; I21-Q24 PolarHBondContact O-N 2.92Å; L22-Q24 VanDerWaalsContact C-N 3.34Å; L22-Q24 PolarHBondContact O-N 2.97Å
25	Y	62.1	Low	60.3	Low	196 Å²	196	108 Å²	108	77%	0.769	60%	0.604	S	S	*	*	H	α-helix	trans	-82.3	-28.1	175.7	-86.5	-88.2	0	0	0	113.8	I21 L22 Y23	I21-Y25 HydrophobicContact CG2-CD2 4.35Å; I21-Y25 HydrophobicContact CG2-CE2 4.41Å; I21-Y25 WeakPolarHBondContact O-CD2 3.2Å; I21-Y25 PolarHBondContact O-N 3.49Å; L22-Y25 PolarHBondContact O-N 3.5Å; L22-Y25 VanDerWaalsContact O-N 3.14Å; Y23-Y25 VanDerWaalsContact C-N 3.3Å; Y23-Y25 PolarHBondContact O-N 2.97Å
26	V	65.6	Low	58.3	Low	122 Å²	122	110.5 Å²	110.5	74%	0.739	62%	0.619	S	S	*	*	H	α-helix	trans	-92.2	-29.4	-177.7	177	0	0	0	0	112.8	L22 Y23	L22-V26 WeakPolarHBondContact O-CG2 2.9Å; L22-V26 PolarHBondContact O-N 3.34Å; Y23-V26 PolarHBondContact O-N 3.08Å
27	A	54.3	Low	56.3	Low	32 Å²	32	115 Å²	115	26%	0.264	63%	0.634	S	S	.	*			trans	-141.1	71.7	-178.7	0	0	0	0	0	112.8	Y23 G29 V30	Y23-A27 HydrophobicContact CE1-CB 4.25Å; Y23-A27 PolarHBondContact O-N 3.41Å; A27-G29 PolarHBondContact O-N 2.94Å; A27-V30 HydrophobicContact CB-CG2 3.87Å
28	P	45	Very low	54.3	Low	116 Å²	116	114.7 Å²	114.7	75%	0.753	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.8	101.3	176.8	28.9	-33.8	0	0	0	110.9
29	G	53.8	Low	52.1	Low	72 Å²	72	119.6 Å²	119.6	74%	0.742	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	148.1	-9.4	169.5	0	0	0	0	0	117.6	A27	A27-G29 PolarHBondContact O-N 2.94Å
30	V	55.1	Low	49.9	Very low	102 Å²	102	122.8 Å²	122.8	62%	0.618	67%	0.669	S	S	*	*	S	Bend	trans	-87.7	-8.9	-167.6	-138.1	0	0	0	0	115.6	Y23 A27	Y23-V30 HydrophobicContact CE1-CG2 4.31Å; A27-V30 HydrophobicContact CB-CG2 3.87Å
31	I	40.4	Very low	48.2	Very low	120 Å²	120	122.8 Å²	122.8	62%	0.615	67%	0.672	S	S	*	*			trans	-130.2	98.1	177.7	-51.7	178.3	0	0	0	109.2	F33	I31-F33 HydrophobicContact CG2-CD2 4.03Å; I31-F33 HydrophobicContact CG2-CE2 4.45Å; I31-F33 PolarHBondContact O-N 2.88Å
32	N	41.4	Very low	46.8	Very low	147 Å²	147	128 Å²	128	79%	0.786	70%	0.695	S	S	*	*			trans	-94.1	75.4	-174.2	-158.1	4.9	0	0	0	111.2	G34	N32-G34 PolarHBondContact O-N 2.93Å
33	F	38.3	Very low	45.4	Very low	193 Å²	193	131.9 Å²	131.9	85%	0.846	72%	0.716	S	S	*	*			trans	-78	115.3	161.1	-93.1	-80.7	0	0	0	108.2	I31 S35	I31-F33 HydrophobicContact CG2-CD2 4.03Å; I31-F33 HydrophobicContact CG2-CE2 4.45Å; I31-F33 PolarHBondContact O-N 2.88Å; F33-S35 PolarHBondContact O-N 3.14Å
34	G	40.6	Very low	44.1	Very low	79 Å²	79	132 Å²	132	81%	0.814	73%	0.725	S	S	*	*			trans	-53.8	107.4	-159.6	0	0	0	0	0	115.5	N32	N32-G34 PolarHBondContact O-N 2.93Å
35	S	32.1	Very low	43.3	Very low	87 Å²	87	132.9 Å²	132.9	61%	0.608	73%	0.729	S	S	*	*			trans	-121.9	127.7	155.6	-174.4	0	0	0	0	107.4	F33 H37	F33-S35 PolarHBondContact O-N 3.14Å; S35-H37 VanDerWaalsContact C-N 3.34Å; S35-H37 PolarHBondContact O-N 3.03Å
36	P	38.4	Very low	43.1	Very low	123 Å²	123	126 Å²	126	80%	0.799	72%	0.719	S	S	*	*			trans	-79	82.5	-171.1	32.1	-34.9	0	0	0	110.7
37	H	37.1	Very low	43.6	Very low	174 Å²	174	124.6 Å²	124.6	81%	0.806	71%	0.707	S	S	*	*			trans	-114.3	81.7	158.1	-83.4	30.9	0	0	0	107.7	S35	S35-H37 VanDerWaalsContact C-N 3.34Å; S35-H37 PolarHBondContact O-N 3.03Å
38	G	33.3	Very low	44.9	Very low	57 Å²	57	126.3 Å²	126.3	59%	0.588	71%	0.711	S	S	*	*			trans	-62	144.1	171.6	0	0	0	0	0	110.5	F40	G38-F40 PolarHBondContact O-N 3.09Å; G38-F40 VanDerWaalsContact O-N 3.13Å
39	Y	32.5	Very low	47	Very low	235 Å²	235	121.6 Å²	121.6	92%	0.922	68%	0.679	S	S	*	*			trans	-55.6	114.7	165.4	-103.6	-114.2	0	0	0	108.9	T41	Y39-T41 PolarHBondContact O-N 3.25Å; Y39-T41 VanDerWaalsContact O-N 3.09Å
40	F	30.9	Very low	48.5	Very low	191 Å²	191	120.8 Å²	120.8	84%	0.838	66%	0.66	S	S	*	*			trans	-73.2	99.7	173.3	-72.8	-81.9	0	0	0	109.8	G38	G38-F40 PolarHBondContact O-N 3.09Å; G38-F40 VanDerWaalsContact O-N 3.13Å
41	T	35.7	Very low	49.9	Very low	94 Å²	94	121 Å²	121	58%	0.577	66%	0.662	S	S	*	*			trans	-78.3	145.7	152.2	48.4	0	0	0	0	108.6	Y39 D43 D44	Y39-T41 PolarHBondContact O-N 3.25Å; Y39-T41 VanDerWaalsContact O-N 3.09Å; T41-D43 PolarHBondContact O-N 3.03Å; T41-D44 PolarHBondContact O-N 2.85Å
42	E	44.1	Very low	52	Low	198 Å²	198	116.6 Å²	116.6	93%	0.925	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.9	-1.1	-174.6	-63.8	-175.4	115.3	0	0	114.7
43	D	42.7	Very low	54	Low	162 Å²	162	113.1 Å²	113.1	87%	0.866	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.7	-7.4	-178.5	-75.8	-45.1	0	0	0	114.6	T41	T41-D43 PolarHBondContact O-N 3.03Å
44	D	38.4	Very low	55.8	Low	130 Å²	130	109.4 Å²	109.4	70%	0.695	62%	0.618	S	S	*	*			trans	-110.5	41.7	-179.2	-154.8	26.3	0	0	0	113.4	T41 G46	T41-D44 PolarHBondContact O-N 2.85Å; D44-G46 VanDerWaalsContact C-N 3.3Å; D44-G46 PolarHBondContact O-N 2.85Å
45	E	47.9	Very low	57.9	Low	160 Å²	160	113.4 Å²	113.4	75%	0.748	62%	0.615	S	S	*	*			trans	-65.2	94.1	156.5	-90.1	-162.8	142.8	0	0	108.8	D47	E45-D47 PolarHBondContact O-N 2.77Å
46	G	57.1	Low	60.5	Low	53 Å²	53	111.3 Å²	111.3	55%	0.546	59%	0.594	S	S	.	*			trans	-49.1	134.4	173.3	0	0	0	0	0	111.8	D44 I48	D44-G46 VanDerWaalsContact C-N 3.3Å; D44-G46 PolarHBondContact O-N 2.85Å; G46-I48 VanDerWaalsContact O-CG2 3.28Å; G46-I48 WeakPolarHBondContact O-CG2 3.38Å; G46-I48 PolarHBondContact O-N 2.78Å
47	D	75.9	Confident	62.9	Low	91 Å²	91	111.2 Å²	111.2	49%	0.487	59%	0.591	S	S	.	*			trans	-53.2	94.9	-165.5	-170.4	-8.6	0	0	0	113.9	E45 F49 R354	E45-D47 PolarHBondContact O-N 2.77Å; D47-F49 PolarHBondContact O-N 3.09Å; D47-F49 PolarHBondContact OD1-N 3.03Å; D47-R354 VanDerWaalsContact CG-NH2 3.34Å; D47-R354 IonicContact OD1-CZ 3.32Å; D47-R354 IonicContact OD1-NH1 2.7Å; D47-R354 PolarHBondContact OD1-NH1 3.15Å; D47-R354 IonicContact OD1-NH2 2.8Å; D47-R354 PolarHBondContact OD1-NH2 3.07Å; D47-R354 IonicContact OD2-CZ 2.77Å; D47-R354 IonicContact OD2-NH1 3.37Å; D47-R354 PolarHBondContact OD2-NH1 3.06Å; D47-R354 IonicContact OD2-NH2 3.66Å; D47-R354 PolarHBondContact OD2-NH2 3.08Å
48	I	83.3	Confident	65.5	Low	68 Å²	68	108.6 Å²	108.6	35%	0.349	58%	0.577	S	S	.	*			trans	-69.4	0.6	-175.4	65.7	167	0	0	0	114.4	G46 R289 P306	G46-I48 VanDerWaalsContact O-CG2 3.28Å; G46-I48 WeakPolarHBondContact O-CG2 3.38Å; G46-I48 PolarHBondContact O-N 2.78Å; I48-R289 PolarHBondContact O-NH1 2.98Å; I48-P306 HydrophobicContact CD1-CB 4.38Å
49	F	89	Confident	68.5	Low	18 Å²	18	112.1 Å²	112.1	8%	0.079	58%	0.576	C	S	.	*	S	Bend	trans	-106.5	128.8	-174.2	-59.8	-70.9	0	0	0	111.3	D47 T51 Q292 F293 E296 R354	D47-F49 PolarHBondContact O-N 3.09Å; D47-F49 PolarHBondContact OD1-N 3.03Å; F49-T51 PolarHBondContact O-N 2.88Å; F49-Q292 HydrophobicContact CE1-CB 4.47Å; F49-Q292 HydrophobicContact CE1-CG 4.37Å; F49-F293 HydrophobicContact CB-CD2 4.09Å; F49-F293 HydrophobicContact CD1-CB 3.59Å; F49-F293 AromaticContact CD1-CD2 3.91Å; F49-F293 HydrophobicContact CD1-CD2 3.91Å; F49-F293 HydrophobicContact CD1-CG 4.21Å; F49-F293 AromaticContact CD2-CD2 3.73Å; F49-F293 HydrophobicContact CD2-CD2 3.73Å; F49-F293 HydrophobicContact CD2-CE2 4.37Å; F49-F293 HydrophobicContact CE1-CB 3.78Å; F49-F293 HydrophobicContact CE1-CD2 4.23Å; F49-F293 HydrophobicContact CE2-CD2 4.08Å; F49-F293 HydrophobicContact CG-CB 4.17Å; F49-F293 AromaticContact CG-CD2 3.63Å; F49-F293 HydrophobicContact CG-CD2 3.63Å; F49-F293 HydrophobicContact CG-CG 4.3Å; F49-F293 HydrophobicContact CZ-CD2 4.3Å; F49-E296 WeakPolarHBondContact CZ-OE2 3.4Å; F49-R354 PolarHBondContact O-NH2 3.19Å
50	P	85.1	Confident	71.5	Confident	55 Å²	55	104.4 Å²	104.4	36%	0.357	55%	0.546	S	S	.	.	P	Polyproline II helix	trans	-48.6	142.6	-175.9	-29.5	34.4	0	0	0	113.3	R289 Y350	P50-R289 HydrophobicContact CG-CB 4.05Å; P50-Y350 WeakPolarHBondContact O-CE1 3.36Å; P50-Y350 PolarHBondContact O-OH 2.64Å
51	T	84.4	Confident	74.7	Confident	105 Å²	105	104.7 Å²	104.7	64%	0.644	54%	0.543	S	S	*	.	P	Polyproline II helix	trans	-56.8	143.7	165.4	43.3	0	0	0	0	109.4	F49	F49-T51 PolarHBondContact O-N 2.88Å
52	P	83.9	Confident	77.6	Confident	28 Å²	28	100.8 Å²	100.8	18%	0.182	52%	0.518	C	S	.	.	P	Polyproline II helix	trans	-61.1	141.4	168.6	-16.1	29.1	0	0	0	109.6	Y350 Q351 R354	P52-Y350 HydrophobicContact CB-CD1 4.4Å; P52-Y350 HydrophobicContact CB-CE1 4.4Å; P52-Y350 HydrophobicContact CG-CD1 4.38Å; P52-Y350 HydrophobicContact CG-CE1 4.11Å; P52-Q351 HydrophobicContact CB-CG 3.67Å; P52-R354 HydrophobicContact CG-CB 4.11Å; P52-R354 HydrophobicContact CG-CG 4.38Å
53	D	83	Confident	80.2	Confident	75 Å²	75	92.8 Å²	92.8	40%	0.401	48%	0.483	S	S	.	.	P	Polyproline II helix	trans	-64.7	122.5	-177.7	179.9	-6.2	0	0	0	109.9	H55 Q351	D53-H55 VanDerWaalsContact C-N 3.29Å; D53-H55 PolarHBondContact O-N 2.83Å; D53-H55 PolarHBondContact OD1-N 3.41Å; D53-Q351 PolarHBondContact O-NE2 3.43Å
54	P	77.5	Confident	82.8	Confident	115 Å²	115	88.6 Å²	88.6	75%	0.747	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-18.8	179.7	30.9	-35.6	0	0	0	113.3
55	H	82.6	Confident	85.5	Confident	162 Å²	162	91.5 Å²	91.5	75%	0.75	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.5	0.3	179.3	-60.9	-68.9	0	0	0	113.1	D53 V57	D53-H55 VanDerWaalsContact C-N 3.29Å; D53-H55 PolarHBondContact O-N 2.83Å; D53-H55 PolarHBondContact OD1-N 3.41Å; H55-V57 PolarHBondContact O-N 3.1Å
56	Y	86.8	Confident	87.9	Confident	44 Å²	44	84.6 Å²	84.6	17%	0.173	43%	0.433	C	S	.	.	P	Polyproline II helix	trans	-66.7	116	177.7	166.7	-98.8	0	0	0	111.3	K58 D344 Q347 Q348 Q351	Y56-K58 HydrophobicContact CE1-CG 3.85Å; Y56-D344 PolarHBondContact OH-O 2.82Å; Y56-D344 VanDerWaalsContact OH-O 3.13Å; Y56-D344 PolarHBondContact OH-OD1 2.94Å; Y56-Q347 HydrophobicContact CD1-CB 4.34Å; Y56-Q347 HydrophobicContact CD2-CB 3.96Å; Y56-Q347 HydrophobicContact CD2-CG 4.06Å; Y56-Q347 HydrophobicContact CE1-CB 3.93Å; Y56-Q347 HydrophobicContact CE2-CB 3.58Å; Y56-Q347 HydrophobicContact CE2-CG 3.9Å; Y56-Q347 HydrophobicContact CG-CB 4.32Å; Y56-Q348 HydrophobicContact CE1-CG 4.04Å; Y56-Q348 WeakPolarHBondContact OH-CG 3.37Å; Y56-Q351 VanDerWaalsContact CD1-NE2 3.26Å
57	V	89.6	Confident	89.8	Confident	120 Å²	120	82.6 Å²	82.6	73%	0.727	41%	0.409	S	S	*	.	P	Polyproline II helix	trans	-94	128.4	174.3	-177.2	0	0	0	0	109.2	H55	H55-V57 PolarHBondContact O-N 3.1Å
58	K	92.9	Very high	90.7	Very high	120 Å²	120	83 Å²	83	52%	0.522	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-70.7	126	175.1	-63.8	-179.8	172.1	-151.9	0	110.2	Y56 Q348	Y56-K58 HydrophobicContact CE1-CG 3.85Å; K58-Q348 HydrophobicContact CD-CG 4.39Å; K58-Q348 VanDerWaalsContact CD-OE1 3.3Å; K58-Q348 VanDerWaalsContact CE-OE1 3.3Å; K58-Q348 HydrophobicContact CG-CG 4.11Å
59	K	95.1	Very high	91.3	Very high	130 Å²	130	81.9 Å²	81.9	57%	0.565	40%	0.4	S	S	*	.			trans	-94.5	-35	178.8	-161.7	-179.2	-176.4	-169.2	0	112.9	D340 D344	K59-D340 VanDerWaalsContact CD-OD2 3.3Å; K59-D340 WeakPolarHBondContact CD-OD2 3.19Å; K59-D340 WeakPolarHBondContact CE-OD2 3.26Å; K59-D340 IonicContact NZ-OD1 3.91Å; K59-D340 PolarHBondContact NZ-OD1 3.45Å; K59-D340 IonicContact NZ-OD2 2.91Å; K59-D340 PolarHBondContact NZ-OD2 2.78Å; K59-D344 PolarHBondContact N-OD1 3.25Å; K59-D344 PolarHBondContact N-OD2 3.05Å
60	Y	96.6	Very high	91.6	Very high	73 Å²	73	84.8 Å²	84.8	29%	0.286	42%	0.419	S	S	.	.	S	Bend	trans	-117.5	153	-179.2	-61.7	-83.5	0	0	0	112	F62 D340 Y341 D344 Q348	Y60-F62 HydrophobicContact CG-CZ 4.33Å; Y60-D340 WeakPolarHBondContact CE2-OD2 3.31Å; Y60-D340 PolarHBondContact OH-OD2 2.65Å; Y60-Y341 HydrophobicContact CD1-CD2 4.22Å; Y60-Y341 HydrophobicContact CD2-CD2 4.15Å; Y60-Y341 HydrophobicContact CE1-CD2 4.32Å; Y60-Y341 HydrophobicContact CE2-CD2 4.26Å; Y60-Y341 HydrophobicContact CG-CD2 4.14Å; Y60-D344 HydrophobicContact CD2-CB 3.84Å; Y60-D344 HydrophobicContact CE2-CB 4.49Å; Y60-D344 PolarHBondContact N-OD2 3.49Å; Y60-Q348 PolarHBondContact O-NE2 3.09Å
61	Y	96.6	Very high	92.1	Very high	198 Å²	198	83.2 Å²	83.2	78%	0.776	41%	0.407	S	S	*	.			trans	-85.1	122.8	168.9	177.3	-94.5	0	0	0	110.2	P63	Y61-P63 HydrophobicContact CE1-CB 4.16Å
62	F	98.1	Very high	92.5	Very high	12 Å²	12	82.3 Å²	82.3	5%	0.053	40%	0.399	C	S	.	.			trans	-120.9	121.5	169.9	-62.2	-63.5	0	0	0	109.6	Y60 D66 L67 Y341 D344 L345 Q348	Y60-F62 HydrophobicContact CG-CZ 4.33Å; F62-D66 HydrophobicContact CB-CB 4.31Å; F62-L67 HydrophobicContact CB-CD2 3.67Å; F62-L67 HydrophobicContact CB-CG 4.06Å; F62-L67 HydrophobicContact CD2-CD2 4.36Å; F62-L67 HydrophobicContact CG-CD2 4.3Å; F62-Y341 HydrophobicContact CE1-CD2 4.38Å; F62-Y341 HydrophobicContact CE1-CE1 4.47Å; F62-Y341 AromaticContact CE1-CE2 3.56Å; F62-Y341 HydrophobicContact CE1-CE2 3.56Å; F62-Y341 AromaticContact CE1-CZ 3.63Å; F62-Y341 HydrophobicContact CZ-CD2 4.05Å; F62-Y341 AromaticContact CZ-CE2 3.69Å; F62-Y341 HydrophobicContact CZ-CE2 3.69Å; F62-D344 HydrophobicContact CE2-CB 4.37Å; F62-D344 WeakPolarHBondContact CE2-OD2 3.42Å; F62-L345 HydrophobicContact CB-CD1 4.46Å; F62-L345 HydrophobicContact CD1-CD1 3.87Å; F62-L345 HydrophobicContact CD2-CB 4.34Å; F62-L345 HydrophobicContact CD2-CD1 3.88Å; F62-L345 HydrophobicContact CE1-CB 4.27Å; F62-L345 HydrophobicContact CE1-CD1 4.05Å; F62-L345 VanDerWaalsContact CE2-CA 3.47Å; F62-L345 HydrophobicContact CE2-CB 3.69Å; F62-L345 HydrophobicContact CE2-CD1 4.07Å; F62-L345 HydrophobicContact CE2-CG 4.46Å; F62-L345 HydrophobicContact CG-CD1 3.79Å; F62-L345 HydrophobicContact CZ-CB 3.66Å; F62-L345 HydrophobicContact CZ-CD1 4.15Å; F62-L345 HydrophobicContact CZ-CG 4.36Å; F62-Q348 HydrophobicContact CD2-CG 4.42Å
63	P	97.5	Very high	93.1	Very high	29 Å²	29	82 Å²	82	19%	0.188	39%	0.394	C	S	.	.			trans	-65.4	160.1	171	30	-36.2	0	0	0	110.6	Y61 R65 D66 L67	Y61-P63 HydrophobicContact CE1-CB 4.16Å; P63-R65 HydrophobicContact CB-CG 4.17Å; P63-R65 HydrophobicContact CG-CG 3.81Å; P63-R65 PolarHBondContact O-N 3.06Å; P63-R65 VanDerWaalsContact O-N 3.09Å; P63-D66 VanDerWaalsContact CD-OD2 3.24Å; P63-D66 WeakPolarHBondContact CD-OD2 3.47Å; P63-D66 HydrophobicContact CG-CB 4.44Å; P63-D66 WeakPolarHBondContact CG-OD2 3.48Å; P63-D66 PolarHBondContact O-N 3.22Å; P63-L67 PolarHBondContact O-N 2.04Å
64	V	96.9	Very high	93.6	Very high	75 Å²	75	83 Å²	83	46%	0.455	40%	0.397	S	S	.	.	H	α-helix	trans	-51.8	-39.5	-177.8	175.4	0	0	0	0	112.4	D66 L67 E68 Y352	V64-D66 PolarHBondContact O-N 3.09Å; V64-L67 PolarHBondContact O-N 3.44Å; V64-E68 HydrophobicContact CG1-CB 4.44Å; V64-E68 WeakPolarHBondContact O-CB 3.38Å; V64-E68 PolarHBondContact O-N 3.05Å; V64-Y352 HydrophobicContact CG1-CE2 4.21Å; V64-Y352 WeakPolarHBondContact CG1-OH 3.39Å; V64-Y352 HydrophobicContact CG2-CE2 4.46Å
65	R	96.5	Very high	94.4	Very high	190 Å²	190	79.2 Å²	79.2	72%	0.717	37%	0.37	S	S	*	.	H	α-helix	trans	-57.5	-17.7	176.2	70.5	171.4	-171.9	-160.9	-3.1	115.3	P63 R69	P63-R65 HydrophobicContact CB-CG 4.17Å; P63-R65 HydrophobicContact CG-CG 3.81Å; P63-R65 PolarHBondContact O-N 3.06Å; P63-R65 VanDerWaalsContact O-N 3.09Å; R65-R69 PolarHBondContact O-NH1 2.03Å
66	D	97	Very high	94.9	Very high	16 Å²	16	76.7 Å²	76.7	9%	0.086	36%	0.357	C	S	.	.	H	α-helix	trans	-100.7	-20	178.3	-66.3	-34.4	0	0	0	112.1	F62 P63 V64 R69 R277 R349	F62-D66 HydrophobicContact CB-CB 4.31Å; P63-D66 VanDerWaalsContact CD-OD2 3.24Å; P63-D66 WeakPolarHBondContact CD-OD2 3.47Å; P63-D66 HydrophobicContact CG-CB 4.44Å; P63-D66 WeakPolarHBondContact CG-OD2 3.48Å; P63-D66 PolarHBondContact O-N 3.22Å; V64-D66 PolarHBondContact O-N 3.09Å; D66-R69 IonicContact OD1-NH2 3.46Å; D66-R277 HydrophobicContact CB-CG 4.19Å; D66-R277 IonicContact OD1-NE 3.16Å; D66-R349 VanDerWaalsContact O-CZ 3.29Å; D66-R349 PolarHBondContact O-NE 3.5Å; D66-R349 PolarHBondContact O-NH2 3.05Å
67	L	97.7	Very high	95.1	Very high	10 Å²	10	75.6 Å²	75.6	5%	0.052	36%	0.358	C	S	.	.	H	α-helix	trans	-88.7	-36.4	174.7	-57.8	-175.1	0	0	0	112.4	F62 P63 V64 R69 L345 Q348 R349 Y352	F62-L67 HydrophobicContact CB-CD2 3.67Å; F62-L67 HydrophobicContact CB-CG 4.06Å; F62-L67 HydrophobicContact CD2-CD2 4.36Å; F62-L67 HydrophobicContact CG-CD2 4.3Å; P63-L67 PolarHBondContact O-N 2.04Å; V64-L67 PolarHBondContact O-N 3.44Å; L67-R69 PolarHBondContact O-N 3.45Å; L67-L345 HydrophobicContact CD2-CD1 4.1Å; L67-Q348 HydrophobicContact CD1-CB 4.45Å; L67-Q348 HydrophobicContact CD2-CB 3.52Å; L67-R349 HydrophobicContact CD2-CG 4.29Å; L67-Y352 HydrophobicContact CB-CD1 4.1Å; L67-Y352 HydrophobicContact CB-CG 4.02Å; L67-Y352 HydrophobicContact CD1-CD2 4.31Å; L67-Y352 HydrophobicContact CD1-CG 4.33Å
68	E	95.3	Very high	95.1	Very high	99 Å²	99	71.8 Å²	71.8	46%	0.463	33%	0.333	S	S	.	.			trans	-79.7	112.9	178.5	-172.4	168.8	-156.3	0	0	110.5	V64 Y352	V64-E68 HydrophobicContact CG1-CB 4.44Å; V64-E68 WeakPolarHBondContact O-CB 3.38Å; V64-E68 PolarHBondContact O-N 3.05Å; E68-Y352 HydrophobicContact CB-CE1 4.11Å
69	R	95.1	Very high	95.2	Very high	45 Å²	45	66.3 Å²	66.3	17%	0.17	31%	0.309	C	S	.	.			trans	-127.4	85.8	171	-70.6	-69.9	174.6	-83.9	4.6	107.4	R65 D66 L67 R277 M279 A280 T298 R349	R65-R69 PolarHBondContact O-NH1 2.03Å; D66-R69 IonicContact OD1-NH2 3.46Å; L67-R69 PolarHBondContact O-N 3.45Å; R69-R277 PolarHBondContact NH2-O 3.19Å; R69-M279 PolarHBondContact NE-O 3.05Å; R69-A280 WeakPolarHBondContact CD-O 3.16Å; R69-T298 HydrophobicContact CB-CG2 4.18Å; R69-T298 VanDerWaalsContact O-CA 3.26Å; R69-T298 WeakPolarHBondContact O-CA 3.45Å; R69-T298 PolarHBondContact O-OG1 2.97Å; R69-R349 VanDerWaalsContact CZ-NH2 3.34Å
70	T	94.6	Very high	95.3	Very high	79 Å²	79	60.1 Å²	60.1	49%	0.485	28%	0.283	S	S	.	.			trans	-118.7	119	173.5	-53.3	0	0	0	0	107.7
71	I	95.6	Very high	95.4	Very high	22 Å²	22	56.7 Å²	56.7	11%	0.113	27%	0.269	C	S	.	.			trans	-119.7	127.9	-175.6	-61.4	175.5	0	0	0	108.3	F73 Y170 A280 T298 F299	I71-F73 VanDerWaalsContact C-N 3.27Å; I71-F73 HydrophobicContact CG2-CB 4.34Å; I71-F73 PolarHBondContact O-N 2.81Å; I71-Y170 HydrophobicContact CD1-CD1 3.82Å; I71-Y170 HydrophobicContact CD1-CE1 4.15Å; I71-Y170 HydrophobicContact CD1-CG 4.28Å; I71-Y170 HydrophobicContact CG2-CD1 4.15Å; I71-Y170 HydrophobicContact CG2-CD2 4.24Å; I71-Y170 HydrophobicContact CG2-CE1 3.63Å; I71-Y170 HydrophobicContact CG2-CE2 3.71Å; I71-Y170 HydrophobicContact CG2-CG 4.43Å; I71-A280 HydrophobicContact CD1-CB 3.42Å; I71-A280 VanDerWaalsContact CD1-CB 3.42Å; I71-T298 WeakPolarHBondContact CA-O 3.4Å; I71-T298 WeakPolarHBondContact CB-O 3.49Å; I71-T298 HydrophobicContact CD1-CG2 3.81Å; I71-T298 HydrophobicContact CG1-CG2 4.11Å; I71-T298 PolarHBondContact N-O 3.16Å; I71-F299 HydrophobicContact CB-CD1 4.49Å; I71-F299 HydrophobicContact CD1-CD1 4.46Å; I71-F299 HydrophobicContact CD1-CE1 3.91Å; I71-F299 HydrophobicContact CD1-CZ 4.44Å
72	D	94.4	Very high	95.5	Very high	87 Å²	87	47.2 Å²	47.2	47%	0.465	23%	0.232	S	C	.	.			trans	-77.5	82.6	167	-167.5	59.1	0	0	0	108.7	Q74 R300	D72-Q74 PolarHBondContact O-N 3.07Å; D72-Q74 PolarHBondContact OD2-NE2 2.83Å; D72-R300 IonicContact OD1-NH1 3.05Å; D72-R300 PolarHBondContact OD1-NH1 2.92Å
73	F	96.1	Very high	95.5	Very high	20 Å²	20	47.1 Å²	47.1	9%	0.088	23%	0.231	C	C	.	.			trans	-78.5	105.2	-173.3	177.7	-112.4	0	0	0	111.6	I71 I75 D79 I81 W128 Y170 F299 L301	I71-F73 VanDerWaalsContact C-N 3.27Å; I71-F73 HydrophobicContact CG2-CB 4.34Å; I71-F73 PolarHBondContact O-N 2.81Å; F73-I75 HydrophobicContact CD1-CB 4.32Å; F73-I75 HydrophobicContact CE1-CB 3.79Å; F73-I75 HydrophobicContact CE1-CD1 4.43Å; F73-I75 HydrophobicContact CE1-CG1 4.12Å; F73-I75 HydrophobicContact CZ-CB 4.42Å; F73-I75 PolarHBondContact O-N 3.41Å; F73-I75 VanDerWaalsContact O-N 3.14Å; F73-D79 HydrophobicContact CD2-CB 3.86Å; F73-D79 HydrophobicContact CE2-CB 3.73Å; F73-I81 HydrophobicContact CD2-CD1 4.43Å; F73-I81 HydrophobicContact CD2-CG1 4.24Å; F73-I81 HydrophobicContact CE1-CD1 4.17Å; F73-I81 HydrophobicContact CE2-CD1 4.08Å; F73-I81 HydrophobicContact CE2-CG1 3.71Å; F73-I81 HydrophobicContact CZ-CD1 3.94Å; F73-I81 HydrophobicContact CZ-CG1 3.94Å; F73-W128 HydrophobicContact CE1-CE3 4.22Å; F73-W128 HydrophobicContact CZ-CB 4.37Å; F73-W128 AromaticContact CZ-CE3 4Å; F73-W128 HydrophobicContact CZ-CE3 4Å; F73-Y170 AromaticContact CD2-CD2 3.77Å; F73-Y170 HydrophobicContact CD2-CD2 3.77Å; F73-Y170 AromaticContact CD2-CE2 3.78Å; F73-Y170 HydrophobicContact CD2-CE2 3.78Å; F73-Y170 HydrophobicContact CE2-CD2 4.16Å; F73-Y170 HydrophobicContact CE2-CE2 4.4Å; F73-F299 HydrophobicContact CB-CB 4.29Å; F73-F299 HydrophobicContact CB-CD1 4.06Å; F73-F299 HydrophobicContact CD2-CD1 4.29Å; F73-F299 HydrophobicContact CG-CD1 4.15Å; F73-L301 HydrophobicContact CD1-CD1 4.16Å; F73-L301 HydrophobicContact CE1-CD1 4.36Å
74	Q	93.6	Very high	95.6	Very high	98 Å²	98	45.8 Å²	45.8	46%	0.458	22%	0.223	S	C	.	.			trans	-90.1	81.9	-174.7	-61.3	-171.4	0.1	0	0	111.5	D72 K76 G77 D79	D72-Q74 PolarHBondContact O-N 3.07Å; D72-Q74 PolarHBondContact OD2-NE2 2.83Å; Q74-K76 PolarHBondContact O-N 3Å; Q74-G77 CarbonylContact O-C 3.54Å; Q74-G77 WeakPolarHBondContact O-CA 3.23Å; Q74-G77 PolarHBondContact O-N 3.41Å; Q74-D79 PolarHBondContact N-OD2 3.09Å; Q74-D79 VanDerWaalsContact N-OD2 3.09Å
75	I	93.9	Very high	95.7	Very high	35 Å²	35	42.6 Å²	42.6	18%	0.179	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-33.5	178.8	-164.4	171.3	0	0	0	113.2	F73 L104 R121 W128	F73-I75 HydrophobicContact CD1-CB 4.32Å; F73-I75 HydrophobicContact CE1-CB 3.79Å; F73-I75 HydrophobicContact CE1-CD1 4.43Å; F73-I75 HydrophobicContact CE1-CG1 4.12Å; F73-I75 HydrophobicContact CZ-CB 4.42Å; F73-I75 PolarHBondContact O-N 3.41Å; F73-I75 VanDerWaalsContact O-N 3.14Å; I75-L104 HydrophobicContact CD1-CD2 3.72Å; I75-R121 WeakPolarHBondContact O-CD 3.49Å; I75-R121 VanDerWaalsContact O-CG 3.26Å; I75-R121 WeakPolarHBondContact O-CG 3.24Å; I75-R121 PolarHBondContact O-NH1 3.28Å; I75-W128 HydrophobicContact CD1-CD2 3.9Å; I75-W128 HydrophobicContact CD1-CE3 4.47Å; I75-W128 HydrophobicContact CD1-CG 3.92Å; I75-W128 HydrophobicContact CG1-CB 3.93Å; I75-W128 HydrophobicContact CG1-CD2 4.19Å; I75-W128 HydrophobicContact CG1-CG 3.76Å
76	K	92.3	Very high	95.8	Very high	109 Å²	109	33.6 Å²	33.6	47%	0.474	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-15.3	173.2	-66.5	-174.8	176.5	-177.6	0	113.7	Q74 E105 P122	Q74-K76 PolarHBondContact O-N 3Å; K76-E105 VanDerWaalsContact CE-CD 3.5Å; K76-E105 WeakPolarHBondContact CE-OE1 3.27Å; K76-E105 WeakPolarHBondContact CE-OE2 3.31Å; K76-E105 IonicContact NZ-OE1 2.82Å; K76-E105 PolarHBondContact NZ-OE1 2.94Å; K76-E105 IonicContact NZ-OE2 3.26Å; K76-E105 PolarHBondContact NZ-OE2 3.37Å; K76-P122 HydrophobicContact CG-CB 4.32Å; K76-P122 HydrophobicContact CG-CG 4.02Å
77	G	90.8	Very high	95.9	Very high	20 Å²	20	33 Å²	33	21%	0.206	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-143.5	175	0	0	0	0	0	111.8	Q74 R121	Q74-G77 CarbonylContact O-C 3.54Å; Q74-G77 WeakPolarHBondContact O-CA 3.23Å; Q74-G77 PolarHBondContact O-N 3.41Å; G77-R121 VanDerWaalsContact O-CD 3.3Å; G77-R121 WeakPolarHBondContact O-CD 3.46Å; G77-R121 PolarHBondContact O-NE 2.03Å; G77-R121 PolarHBondContact O-NH1 3Å
78	E	90.9	Very high	95.9	Very high	40 Å²	40	34.6 Å²	34.6	19%	0.187	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.7	-2.4	-175.2	-61.6	-54.9	150.4	0	0	114.6	R121 R124 K164 R167	E78-R121 VanDerWaalsContact C-NH2 3.31Å; E78-R121 PolarHBondContact O-NH2 2.82Å; E78-R121 VanDerWaalsContact O-NH2 3.16Å; E78-R124 IonicContact OE1-NH1 3.4Å; E78-R124 PolarHBondContact OE1-NH1 3Å; E78-K164 VanDerWaalsContact OE1-CE 3.32Å; E78-K164 WeakPolarHBondContact OE1-CE 3.46Å; E78-K164 IonicContact OE1-NZ 2.82Å; E78-K164 PolarHBondContact OE1-NZ 3.06Å; E78-K164 WeakPolarHBondContact OE2-CD 3.3Å; E78-K164 WeakPolarHBondContact OE2-CE 3.34Å; E78-K164 IonicContact OE2-NZ 2.78Å; E78-K164 PolarHBondContact OE2-NZ 2.87Å; E78-R167 WeakPolarHBondContact O-CG 3.39Å; E78-R167 PolarHBondContact O-NE 3.1Å; E78-R167 VanDerWaalsContact O-NE 3.11Å; E78-R167 IonicContact OE2-CZ 2.71Å; E78-R167 IonicContact OE2-NE 3.13Å; E78-R167 IonicContact OE2-NH2 2.68Å; E78-R167 PolarHBondContact OE2-NH2 3.4Å
79	D	94.8	Very high	96	Very high	6 Å²	6	29.9 Å²	29.9	3%	0.032	15%	0.15	C	C	.	.			trans	-64.7	137	-174	-75.5	3.1	0	0	0	112.5	F73 Q74 R121 Y170	F73-D79 HydrophobicContact CD2-CB 3.86Å; F73-D79 HydrophobicContact CE2-CB 3.73Å; Q74-D79 PolarHBondContact N-OD2 3.09Å; Q74-D79 VanDerWaalsContact N-OD2 3.09Å; D79-R121 VanDerWaalsContact O-CZ 3.3Å; D79-R121 PolarHBondContact O-NH1 3.43Å; D79-R121 PolarHBondContact O-NH2 3.45Å; D79-Y170 HydrophobicContact CB-CD2 4.4Å; D79-Y170 HydrophobicContact CB-CE2 3.73Å; D79-Y170 VanDerWaalsContact OD2-CE2 3.27Å; D79-Y170 WeakPolarHBondContact OD2-CE2 3.44Å; D79-Y170 PolarHBondContact OD2-OH 3.38Å
80	V	97.1	Very high	96.1	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	127	-179.5	177.7	0	0	0	0	110.9	V82 W128 F130 L156 R167 K168 F169 Y170	V80-V82 HydrophobicContact CG1-CG2 4.21Å; V80-W128 WeakPolarHBondContact CA-O 3.39Å; V80-F130 HydrophobicContact CG1-CB 4.13Å; V80-L156 HydrophobicContact CG1-CD1 4.09Å; V80-L156 HydrophobicContact CG2-CD1 4.35Å; V80-R167 HydrophobicContact CG2-CG 4.35Å; V80-K168 PolarHBondContact N-O 2.85Å; V80-F169 HydrophobicContact CB-CD1 4.01Å; V80-F169 HydrophobicContact CB-CE1 4.25Å; V80-F169 HydrophobicContact CG1-CD1 4.36Å; V80-F169 HydrophobicContact CG2-CE1 4.49Å; V80-F169 WeakPolarHBondContact O-CA 3.27Å; V80-Y170 PolarHBondContact O-N 2.9Å
81	I	98.6	Very high	96.2	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	131.6	167.4	-67.4	174	0	0	0	108.8	F73 W128 L129 F130 Y170 I172 F295 F299	F73-I81 HydrophobicContact CD2-CD1 4.43Å; F73-I81 HydrophobicContact CD2-CG1 4.24Å; F73-I81 HydrophobicContact CE1-CD1 4.17Å; F73-I81 HydrophobicContact CE2-CD1 4.08Å; F73-I81 HydrophobicContact CE2-CG1 3.71Å; F73-I81 HydrophobicContact CZ-CD1 3.94Å; F73-I81 HydrophobicContact CZ-CG1 3.94Å; I81-W128 HydrophobicContact CD1-CZ3 4.41Å; I81-W128 PolarHBondContact N-O 2.87Å; I81-L129 HydrophobicContact CB-CD1 3.98Å; I81-L129 HydrophobicContact CG2-CD1 3.8Å; I81-F130 PolarHBondContact O-N 3Å; I81-Y170 WeakPolarHBondContact CA-O 3.36Å; I81-I172 HydrophobicContact CG2-CD1 3.49Å; I81-I172 VanDerWaalsContact CG2-CD1 3.49Å; I81-I172 HydrophobicContact CG2-CG1 3.92Å; I81-I172 HydrophobicContact CG2-CG2 4.41Å; I81-F295 HydrophobicContact CD1-CZ 4.32Å; I81-F299 HydrophobicContact CD1-CD1 3.88Å; I81-F299 HydrophobicContact CD1-CD2 4.34Å; I81-F299 HydrophobicContact CD1-CE1 3.96Å; I81-F299 HydrophobicContact CD1-CE2 4.4Å; I81-F299 HydrophobicContact CD1-CG 4.08Å; I81-F299 HydrophobicContact CD1-CZ 4.22Å; I81-F299 HydrophobicContact CG1-CD1 4.26Å; I81-F299 HydrophobicContact CG1-CE1 3.92Å; I81-F299 HydrophobicContact CG1-CZ 4.26Å
82	V	98.8	Very high	96.1	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	110.1	179.5	-174.1	0	0	0	0	109.3	V80 F130 L148 V152 F169 Y170 Y171 I172	V80-V82 HydrophobicContact CG1-CG2 4.21Å; V82-F130 HydrophobicContact CG1-CB 4.34Å; V82-F130 HydrophobicContact CG1-CD1 4.17Å; V82-F130 HydrophobicContact CG2-CB 4.23Å; V82-L148 HydrophobicContact CG1-CD1 4.4Å; V82-V152 HydrophobicContact CG1-CG2 4.13Å; V82-V152 HydrophobicContact CG2-CG1 4.02Å; V82-F169 HydrophobicContact CG2-CB 4.15Å; V82-F169 HydrophobicContact CG2-CD1 4Å; V82-Y170 PolarHBondContact N-O 2.99Å; V82-Y171 HydrophobicContact CB-CD1 3.85Å; V82-Y171 HydrophobicContact CB-CE1 3.93Å; V82-Y171 HydrophobicContact CB-CG 4.32Å; V82-Y171 HydrophobicContact CG1-CD1 3.8Å; V82-Y171 HydrophobicContact CG1-CE1 3.59Å; V82-Y171 HydrophobicContact CG2-CE1 4.34Å; V82-Y171 WeakPolarHBondContact O-CA 3.25Å; V82-I172 PolarHBondContact O-N 3.39Å
83	F	98.9	Very high	96.2	Very high	10 Å²	10	25.7 Å²	25.7	4%	0.044	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	103.6	-179.4	177.7	-144.4	0	0	0	111.9	H85 G91 F94 L98 F130 I172	F83-H85 HydrophobicContact CD1-CB 4.48Å; F83-H85 HydrophobicContact CE1-CB 4.03Å; F83-H85 HydrophobicContact CE2-CB 4.42Å; F83-H85 HydrophobicContact CZ-CB 3.98Å; F83-H85 PolarHBondContact O-N 2.84Å; F83-G91 WeakPolarHBondContact CE1-O 3.2Å; F83-F94 HydrophobicContact CD2-CD1 4.36Å; F83-F94 HydrophobicContact CD2-CE1 4.35Å; F83-F94 HydrophobicContact CE1-CD1 4.18Å; F83-F94 AromaticContact CE2-CD1 3.89Å; F83-F94 HydrophobicContact CE2-CD1 3.89Å; F83-F94 HydrophobicContact CE2-CE1 4.24Å; F83-F94 AromaticContact CZ-CD1 3.8Å; F83-F94 HydrophobicContact CZ-CD1 3.8Å; F83-L98 HydrophobicContact CB-CD1 4.11Å; F83-L98 HydrophobicContact CD1-CD1 4.02Å; F83-L98 HydrophobicContact CG-CD1 4.1Å; F83-F130 PolarHBondContact N-O 3.46Å; F83-I172 HydrophobicContact CB-CD1 4.37Å; F83-I172 HydrophobicContact CB-CG1 4.04Å; F83-I172 HydrophobicContact CD2-CG1 4.1Å; F83-I172 HydrophobicContact CG-CG1 4.45Å
84	L	98.9	Very high	96.3	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	111.1	168.7	-168.5	168.4	0	0	0	108.4	I86 W145 L148 I172 T173 L245 M279	L84-I86 HydrophobicContact CD2-CD1 4.16Å; L84-I86 HydrophobicContact CD2-CG1 3.43Å; L84-I86 VanDerWaalsContact CD2-CG1 3.43Å; L84-W145 HydrophobicContact CD1-CB 3.88Å; L84-L148 HydrophobicContact CB-CD1 3.73Å; L84-L148 HydrophobicContact CD1-CD1 4.2Å; L84-L148 HydrophobicContact CG-CD1 3.73Å; L84-I172 PolarHBondContact N-O 3.19Å; L84-T173 PolarHBondContact O-OG1 3.14Å; L84-L245 HydrophobicContact CD1-CD2 4Å; L84-L245 HydrophobicContact CD2-CD2 4.49Å; L84-M279 HydrophobicContact CD1-CE 4.03Å
85	H	98.8	Very high	96.5	Very high	9 Å²	9	20.1 Å²	20.1	4%	0.042	11%	0.113	C	C	.	.			trans	-102.8	94.8	-175.6	179.2	-171.1	0	0	0	110.6	F83 G91 W137 H142	F83-H85 HydrophobicContact CD1-CB 4.48Å; F83-H85 HydrophobicContact CE1-CB 4.03Å; F83-H85 HydrophobicContact CE2-CB 4.42Å; F83-H85 HydrophobicContact CZ-CB 3.98Å; F83-H85 PolarHBondContact O-N 2.84Å; H85-G91 WeakPolarHBondContact NE2-CA 3.5Å; H85-W137 HydrophobicContact CB-CH2 4.35Å; H85-W137 AromaticContact ND1-CH2 3.95Å; H85-H142 AromaticContact CE1-CE1 3.74Å; H85-H142 AromaticContact CG-CE1 3.92Å; H85-H142 AromaticContact ND1-CE1 3.73Å; H85-H142 AromaticContact NE2-CE1 3.91Å; H85-H142 PolarHBondContact O-ND1 3.49Å
86	I	98.8	Very high	96.7	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.123	C	C	.	.			trans	-69.2	140.5	172.3	-54.1	175.2	0	0	0	109.9	L84 K88 T89 L175 R240 Q241 M244 L245	L84-I86 HydrophobicContact CD2-CD1 4.16Å; L84-I86 HydrophobicContact CD2-CG1 3.43Å; L84-I86 VanDerWaalsContact CD2-CG1 3.43Å; I86-K88 PolarHBondContact O-N 3.22Å; I86-T89 HydrophobicContact CB-CG2 3.99Å; I86-T89 HydrophobicContact CG2-CG2 4.05Å; I86-T89 PolarHBondContact O-OG1 3.17Å; I86-T89 VanDerWaalsContact O-OG1 3.14Å; I86-L175 HydrophobicContact CD1-CD2 3.87Å; I86-R240 HydrophobicContact CG2-CG 4.01Å; I86-Q241 HydrophobicContact CD1-CB 4.33Å; I86-Q241 HydrophobicContact CD1-CG 4.27Å; I86-Q241 HydrophobicContact CG2-CG 4.09Å; I86-M244 HydrophobicContact CG1-CB 4.3Å; I86-M244 HydrophobicContact CG1-CE 4.47Å; I86-M244 HydrophobicContact CG2-SD 3.96Å; I86-L245 HydrophobicContact CD1-CD1 4.1Å; I86-L245 HydrophobicContact CD1-CD2 4.35Å; I86-L245 HydrophobicContact CD1-CG 3.98Å
87	Q	98.6	Very high	97	Very high	3 Å²	3	19.9 Å²	19.9	1%	0.014	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	132.2	178.1	-69	79.5	-13.2	0	0	110.8	T89 W195 R240 M244	Q87-T89 VanDerWaalsContact C-N 3.32Å; Q87-T89 PolarHBondContact O-N 2.81Å; Q87-W195 HydrophobicContact CB-CH2 4.2Å; Q87-W195 HydrophobicContact CB-CZ2 3.98Å; Q87-W195 HydrophobicContact CG-CD2 3.84Å; Q87-W195 VanDerWaalsContact CG-CE2 3.45Å; Q87-W195 HydrophobicContact CG-CE3 4.25Å; Q87-W195 HydrophobicContact CG-CG 4.36Å; Q87-W195 HydrophobicContact CG-CH2 4.01Å; Q87-W195 HydrophobicContact CG-CZ2 3.54Å; Q87-W195 HydrophobicContact CG-CZ3 4.33Å; Q87-R240 VanDerWaalsContact CD-NH1 3.27Å; Q87-M244 PolarHBondContact OE1-SD 3.39Å
88	K	97.9	Very high	97.3	Very high	45 Å²	45	18.9 Å²	18.9	20%	0.196	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.7	7.9	169.9	-41.1	-51.9	-52.3	-165	0	117.5	I86 G90 R176 R181 S184 E185 H188 W195	I86-K88 PolarHBondContact O-N 3.22Å; K88-G90 PolarHBondContact O-N 3.41Å; K88-R176 WeakPolarHBondContact O-CD 3.32Å; K88-R176 PolarHBondContact O-NH1 2.93Å; K88-R181 HydrophobicContact CB-CG 4.22Å; K88-S184 WeakPolarHBondContact CE-O 3.3Å; K88-S184 WeakPolarHBondContact CE-OG 3.22Å; K88-E185 HydrophobicContact CG-CB 3.78Å; K88-E185 HydrophobicContact CG-CG 4.21Å; K88-H188 HydrophobicContact CD-CB 4.28Å; K88-H188 PolarHBondContact NZ-ND1 3.41Å; K88-W195 HydrophobicContact CD-CH2 4.06Å; K88-W195 HydrophobicContact CD-CZ2 4.13Å
89	T	98	Very high	97.6	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.092	C	C	.	.	S	Bend	trans	-86.3	33.2	174	63.6	0	0	0	0	113.7	I86 Q87 G91 L174 R176 R181 T285	I86-T89 HydrophobicContact CB-CG2 3.99Å; I86-T89 HydrophobicContact CG2-CG2 4.05Å; I86-T89 PolarHBondContact O-OG1 3.17Å; I86-T89 VanDerWaalsContact O-OG1 3.14Å; Q87-T89 VanDerWaalsContact C-N 3.32Å; Q87-T89 PolarHBondContact O-N 2.81Å; T89-G91 PolarHBondContact O-N 3.17Å; T89-L174 WeakPolarHBondContact CB-O 3.45Å; T89-L174 WeakPolarHBondContact CG2-O 2.98Å; T89-L174 VanDerWaalsContact O-CB 3.29Å; T89-L174 WeakPolarHBondContact O-CB 3.41Å; T89-L174 VanDerWaalsContact O-CD1 3.28Å; T89-L174 WeakPolarHBondContact O-CD1 3.28Å; T89-L174 PolarHBondContact OG1-O 3.32Å; T89-R176 HydrophobicContact CG2-CB 4.06Å; T89-R181 HydrophobicContact CG2-CG 4.21Å; T89-T285 PolarHBondContact O-OG1 3.28Å
90	G	96.4	Very high	97.7	Very high	25 Å²	25	22.7 Å²	22.7	26%	0.258	12%	0.117	S	C	.	.	S	Bend	trans	69.5	1.5	-179	0	0	0	0	0	116	K88 T92 T93 F94	K88-G90 PolarHBondContact O-N 3.41Å; G90-T92 PolarHBondContact O-N 3.27Å; G90-T93 WeakPolarHBondContact O-CB 3.42Å; G90-T93 PolarHBondContact O-N 3.43Å; G90-F94 PolarHBondContact O-N 3.3Å
91	G	96.3	Very high	97.8	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.01	12%	0.12	C	C	.	.	H	α-helix	trans	-59.8	-17.8	-172	0	0	0	0	0	117.1	F83 H85 T89 G95	F83-G91 WeakPolarHBondContact CE1-O 3.2Å; H85-G91 WeakPolarHBondContact NE2-CA 3.5Å; T89-G91 PolarHBondContact O-N 3.17Å; G91-G95 WeakPolarHBondContact O-CA 3.47Å; G91-G95 PolarHBondContact O-N 3.13Å
92	T	95.4	Very high	97.7	Very high	50 Å²	50	23.7 Å²	23.7	31%	0.307	12%	0.122	S	C	.	.	H	α-helix	trans	-63.6	-40.3	167.8	-65.1	0	0	0	0	112.1	G90 R96 F133	G90-T92 PolarHBondContact O-N 3.27Å; T92-R96 WeakPolarHBondContact O-CG 3.02Å; T92-R96 PolarHBondContact O-N 3.43Å; T92-F133 HydrophobicContact CG2-CZ 4.28Å
93	T	96.5	Very high	97.6	Very high	68 Å²	68	31.1 Å²	31.1	42%	0.417	15%	0.15	S	C	.	.	H	α-helix	trans	-73.9	-48.8	179.5	-56.7	0	0	0	0	110.4	G90 G95 R96 H97	G90-T93 WeakPolarHBondContact O-CB 3.42Å; G90-T93 PolarHBondContact O-N 3.43Å; T93-G95 PolarHBondContact O-N 3.06Å; T93-R96 WeakPolarHBondContact O-CB 3.04Å; T93-R96 PolarHBondContact O-N 3.28Å; T93-H97 PolarHBondContact O-CD2 3.41Å; T93-H97 PolarHBondContact O-N 2.03Å
94	F	98.1	Very high	97.4	Very high	1 Å²	1	32 Å²	32	0%	0.004	16%	0.155	C	C	.	.	H	α-helix	trans	-64.5	-41.9	178.6	-177.9	-108.5	0	0	0	112.8	F83 G90 R96 H97 L98 I172 L174 F281 T291 F295 F307	F83-F94 HydrophobicContact CD2-CD1 4.36Å; F83-F94 HydrophobicContact CD2-CE1 4.35Å; F83-F94 HydrophobicContact CE1-CD1 4.18Å; F83-F94 AromaticContact CE2-CD1 3.89Å; F83-F94 HydrophobicContact CE2-CD1 3.89Å; F83-F94 HydrophobicContact CE2-CE1 4.24Å; F83-F94 AromaticContact CZ-CD1 3.8Å; F83-F94 HydrophobicContact CZ-CD1 3.8Å; G90-F94 PolarHBondContact O-N 3.3Å; F94-R96 VanDerWaalsContact C-N 3.25Å; F94-R96 PolarHBondContact O-N 3.45Å; F94-H97 WeakPolarHBondContact O-CA 3.42Å; F94-H97 WeakPolarHBondContact O-CB 3.37Å; F94-H97 PolarHBondContact O-N 3.39Å; F94-L98 HydrophobicContact CD1-CD1 4.17Å; F94-L98 HydrophobicContact CD1-CG 4.44Å; F94-L98 HydrophobicContact CE1-CD1 3.85Å; F94-L98 HydrophobicContact CE1-CD2 4.23Å; F94-L98 HydrophobicContact CE1-CG 4.16Å; F94-L98 HydrophobicContact CZ-CD1 4.45Å; F94-L98 HydrophobicContact CZ-CD2 4Å; F94-L98 HydrophobicContact CZ-CG 4.35Å; F94-L98 WeakPolarHBondContact O-CG 3.4Å; F94-L98 PolarHBondContact O-N 3.25Å; F94-I172 HydrophobicContact CE1-CD1 3.87Å; F94-I172 HydrophobicContact CZ-CD1 4.17Å; F94-L174 HydrophobicContact CB-CD1 3.41Å; F94-L174 VanDerWaalsContact CB-CD1 3.41Å; F94-L174 HydrophobicContact CB-CG 4.17Å; F94-L174 HydrophobicContact CD1-CD1 4.14Å; F94-L174 HydrophobicContact CD1-CD2 4.3Å; F94-L174 HydrophobicContact CD1-CG 3.93Å; F94-L174 HydrophobicContact CD2-CD1 4.47Å; F94-L174 HydrophobicContact CD2-CD2 4.46Å; F94-L174 HydrophobicContact CG-CD1 3.78Å; F94-L174 HydrophobicContact CG-CD2 4.25Å; F94-L174 HydrophobicContact CG-CG 4.03Å; F94-F281 HydrophobicContact CE2-CE1 4.32Å; F94-F281 HydrophobicContact CZ-CD1 4.47Å; F94-F281 AromaticContact CZ-CE1 3.81Å; F94-F281 HydrophobicContact CZ-CE1 3.81Å; F94-T291 HydrophobicContact CD2-CG2 4.49Å; F94-T291 HydrophobicContact CE2-CG2 4.35Å; F94-F295 HydrophobicContact CE2-CD2 4.42Å; F94-F295 AromaticContact CZ-CD2 3.91Å; F94-F295 HydrophobicContact CZ-CD2 3.91Å; F94-F295 HydrophobicContact CZ-CE2 4.22Å; F94-F307 AromaticContact CD2-CE2 3.78Å; F94-F307 HydrophobicContact CD2-CE2 3.78Å; F94-F307 HydrophobicContact CD2-CZ 4.01Å; F94-F307 HydrophobicContact CE2-CE2 4.06Å; F94-F307 HydrophobicContact CE2-CZ 4.15Å
95	G	97.8	Very high	97.2	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-59.1	-34.8	173.9	0	0	0	0	0	113.1	G91 T93 V99 F133	G91-G95 WeakPolarHBondContact O-CA 3.47Å; G91-G95 PolarHBondContact O-N 3.13Å; T93-G95 PolarHBondContact O-N 3.06Å; G95-V99 PolarHBondContact O-N 3.47Å; G95-F133 VanDerWaalsContact C-CD2 3.49Å
96	R	96.9	Very high	97	Very high	103 Å²	103	40.7 Å²	40.7	39%	0.389	20%	0.2	S	C	.	.	H	α-helix	trans	-68.1	-42.4	170.4	-74.8	175.4	-176.4	148.3	-4.3	111.7	T92 T93 F94 L98 V99 Q100 F133	T92-R96 WeakPolarHBondContact O-CG 3.02Å; T92-R96 PolarHBondContact O-N 3.43Å; T93-R96 WeakPolarHBondContact O-CB 3.04Å; T93-R96 PolarHBondContact O-N 3.28Å; F94-R96 VanDerWaalsContact C-N 3.25Å; F94-R96 PolarHBondContact O-N 3.45Å; R96-L98 VanDerWaalsContact C-N 3.26Å; R96-L98 PolarHBondContact O-N 3.47Å; R96-V99 PolarHBondContact O-N 3.41Å; R96-V99 VanDerWaalsContact O-N 3.14Å; R96-Q100 WeakPolarHBondContact O-CB 2.99Å; R96-Q100 PolarHBondContact O-N 3.31Å; R96-F133 HydrophobicContact CG-CE2 4.14Å; R96-F133 HydrophobicContact CG-CZ 4.28Å
97	H	98.1	Very high	96.9	Very high	36 Å²	36	45 Å²	45	17%	0.167	23%	0.228	C	C	.	.	H	α-helix	trans	-57.2	-39.6	175.2	-71.3	-57.4	0	0	0	112.2	T93 F94 V99 N101 V102 F303 F307	T93-H97 PolarHBondContact O-CD2 3.41Å; T93-H97 PolarHBondContact O-N 2.03Å; F94-H97 WeakPolarHBondContact O-CA 3.42Å; F94-H97 WeakPolarHBondContact O-CB 3.37Å; F94-H97 PolarHBondContact O-N 3.39Å; H97-V99 VanDerWaalsContact C-N 3.34Å; H97-V99 PolarHBondContact O-N 3.14Å; H97-N101 HydrophobicContact CB-CB 4.1Å; H97-N101 PolarHBondContact ND1-ND2 3.44Å; H97-N101 CarbonylContact O-C 3.59Å; H97-N101 WeakPolarHBondContact O-CA 3.08Å; H97-N101 VanDerWaalsContact O-CB 3.3Å; H97-N101 WeakPolarHBondContact O-CB 2.96Å; H97-N101 PolarHBondContact O-N 2.97Å; H97-V102 PolarHBondContact O-N 3.31Å; H97-F303 HydrophobicContact CB-CD1 4.32Å; H97-F303 HydrophobicContact CB-CE1 3.91Å; H97-F307 HydrophobicContact CB-CE1 3.71Å; H97-F307 HydrophobicContact CB-CZ 3.76Å; H97-F307 AromaticContact CD2-CD1 3.79Å; H97-F307 AromaticContact CD2-CE1 3.57Å; H97-F307 AromaticContact CD2-CZ 3.69Å; H97-F307 AromaticContact CE1-CD1 3.81Å; H97-F307 AromaticContact CG-CD1 3.96Å; H97-F307 AromaticContact CG-CE1 3.44Å; H97-F307 VanDerWaalsContact CG-CE1 3.44Å; H97-F307 AromaticContact CG-CZ 3.78Å; H97-F307 AromaticContact ND1-CD1 3.97Å; H97-F307 AromaticContact ND1-CE1 3.77Å; H97-F307 AromaticContact NE2-CD1 3.73Å; H97-F307 AromaticContact NE2-CE1 3.99Å; H97-F307 AromaticContact NE2-CG 3.96Å
98	L	98.3	Very high	96.8	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-61.8	-35.3	176.7	-64.4	176	0	0	0	113.8	F83 F94 R96 L129 I172 F295	F83-L98 HydrophobicContact CB-CD1 4.11Å; F83-L98 HydrophobicContact CD1-CD1 4.02Å; F83-L98 HydrophobicContact CG-CD1 4.1Å; F94-L98 HydrophobicContact CD1-CD1 4.17Å; F94-L98 HydrophobicContact CD1-CG 4.44Å; F94-L98 HydrophobicContact CE1-CD1 3.85Å; F94-L98 HydrophobicContact CE1-CD2 4.23Å; F94-L98 HydrophobicContact CE1-CG 4.16Å; F94-L98 HydrophobicContact CZ-CD1 4.45Å; F94-L98 HydrophobicContact CZ-CD2 4Å; F94-L98 HydrophobicContact CZ-CG 4.35Å; F94-L98 WeakPolarHBondContact O-CG 3.4Å; F94-L98 PolarHBondContact O-N 3.25Å; R96-L98 VanDerWaalsContact C-N 3.26Å; R96-L98 PolarHBondContact O-N 3.47Å; L98-L129 HydrophobicContact CB-CD2 3.97Å; L98-L129 HydrophobicContact CD1-CD1 4.27Å; L98-I172 HydrophobicContact CD1-CD1 4.04Å; L98-I172 HydrophobicContact CD2-CD1 4.38Å; L98-F295 HydrophobicContact CD2-CD2 4.48Å; L98-F295 HydrophobicContact CD2-CE1 4.34Å; L98-F295 HydrophobicContact CD2-CE2 3.58Å; L98-F295 HydrophobicContact CD2-CZ 3.49Å; L98-F295 VanDerWaalsContact CD2-CZ 3.49Å
99	V	97.8	Very high	96.7	Very high	8 Å²	8	46.7 Å²	46.7	5%	0.048	24%	0.24	C	C	.	.	H	α-helix	trans	-98.4	-22	-176.2	-59.9	0	0	0	0	114.8	G95 R96 H97 C108 C117 L129 F133	G95-V99 PolarHBondContact O-N 3.47Å; R96-V99 PolarHBondContact O-N 3.41Å; R96-V99 VanDerWaalsContact O-N 3.14Å; H97-V99 VanDerWaalsContact C-N 3.34Å; H97-V99 PolarHBondContact O-N 3.14Å; V99-C108 WeakPolarHBondContact O-CB 3.26Å; V99-C117 HydrophobicContact CB-CB 4.35Å; V99-L129 HydrophobicContact CG1-CD2 3.73Å; V99-F133 HydrophobicContact CG1-CB 3.87Å; V99-F133 HydrophobicContact CG2-CB 4Å
100	Q	96.8	Very high	96.6	Very high	118 Å²	118	48.4 Å²	48.4	55%	0.551	25%	0.251	S	S	*	.	H	α-helix	trans	-122.3	-13.5	-172.9	-76.4	164.8	-16.7	0	0	114.5	R96 C110	R96-Q100 WeakPolarHBondContact O-CB 2.99Å; R96-Q100 PolarHBondContact O-N 3.31Å; Q100-C110 HydrophobicContact CG-CB 4.34Å
101	N	97.4	Very high	96.4	Very high	12 Å²	12	52.4 Å²	52.4	6%	0.064	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-126	-3	-168.9	-164	42.8	0	0	0	114.2	H97 F303 I304 R305	H97-N101 HydrophobicContact CB-CB 4.1Å; H97-N101 PolarHBondContact ND1-ND2 3.44Å; H97-N101 CarbonylContact O-C 3.59Å; H97-N101 WeakPolarHBondContact O-CA 3.08Å; H97-N101 VanDerWaalsContact O-CB 3.3Å; H97-N101 WeakPolarHBondContact O-CB 2.96Å; H97-N101 PolarHBondContact O-N 2.97Å; N101-F303 HydrophobicContact CB-CD1 4.11Å; N101-F303 CarbonylContact O-C 3.31Å; N101-F303 WeakPolarHBondContact O-CA 3.17Å; N101-F303 WeakPolarHBondContact O-CD1 3.38Å; N101-I304 PolarHBondContact O-N 3.24Å; N101-R305 PolarHBondContact ND2-O 2.87Å; N101-R305 WeakPolarHBondContact OD1-CB 3.46Å; N101-R305 PolarHBondContact OD1-N 3.29Å
102	V	96.9	Very high	96	Very high	8 Å²	8	58.9 Å²	58.9	5%	0.048	30%	0.301	C	S	.	.	B	Isolated β-bridge	trans	-79.4	133.8	172.6	-173.9	0	0	0	0	109	H97 L104 L301 F303	H97-V102 PolarHBondContact O-N 3.31Å; V102-L104 HydrophobicContact CB-CD1 4.34Å; V102-L104 HydrophobicContact CB-CD2 4.35Å; V102-L104 HydrophobicContact CB-CG 4.08Å; V102-L104 HydrophobicContact CG1-CD1 4.47Å; V102-L104 HydrophobicContact CG1-CD2 3.62Å; V102-L104 HydrophobicContact CG1-CG 3.85Å; V102-L104 PolarHBondContact O-N 3.3Å; V102-L301 HydrophobicContact CG1-CB 4.13Å; V102-L301 HydrophobicContact CG1-CD1 4.14Å; V102-L301 HydrophobicContact CG1-CD2 4.37Å; V102-L301 HydrophobicContact CG1-CG 4.44Å; V102-F303 HydrophobicContact CG2-CD1 3.99Å; V102-F303 HydrophobicContact CG2-CE1 3.59Å; V102-F303 HydrophobicContact CG2-CZ 4.39Å
103	R	96.6	Very high	95.5	Very high	156 Å²	156	58.9 Å²	58.9	59%	0.589	31%	0.311	S	S	*	.			trans	-74.9	110	172.4	-169.8	-179.5	-65.9	-167.7	1.1	108.5	R302 I304	R103-R302 WeakPolarHBondContact CB-O 3.39Å; R103-R302 PolarHBondContact N-O 2.88Å; R103-I304 HydrophobicContact CB-CG1 3.92Å
104	L	95.7	Very high	95.1	Very high	30 Å²	30	61.1 Å²	61.1	16%	0.157	32%	0.316	C	S	.	.			trans	-129.2	149.6	-175.2	-61.9	174.4	0	0	0	110.4	I75 V102 V106 W128 L301	I75-L104 HydrophobicContact CD1-CD2 3.72Å; V102-L104 HydrophobicContact CB-CD1 4.34Å; V102-L104 HydrophobicContact CB-CD2 4.35Å; V102-L104 HydrophobicContact CB-CG 4.08Å; V102-L104 HydrophobicContact CG1-CD1 4.47Å; V102-L104 HydrophobicContact CG1-CD2 3.62Å; V102-L104 HydrophobicContact CG1-CG 3.85Å; V102-L104 PolarHBondContact O-N 3.3Å; L104-V106 VanDerWaalsContact C-N 3.29Å; L104-V106 PolarHBondContact O-N 2.95Å; L104-W128 HydrophobicContact CD1-CH2 4.07Å; L104-W128 HydrophobicContact CD1-CZ2 3.44Å; L104-W128 VanDerWaalsContact CD1-CZ2 3.44Å; L104-L301 HydrophobicContact CD2-CD2 4.29Å
105	E	93.7	Very high	94.7	Very high	132 Å²	132	67.8 Å²	67.8	62%	0.617	35%	0.345	S	S	*	.	S	Bend	trans	-60.5	-39.7	170.6	-179.2	-178.8	154.1	0	0	111.7	K76	K76-E105 VanDerWaalsContact CE-CD 3.5Å; K76-E105 WeakPolarHBondContact CE-OE1 3.27Å; K76-E105 WeakPolarHBondContact CE-OE2 3.31Å; K76-E105 IonicContact NZ-OE1 2.82Å; K76-E105 PolarHBondContact NZ-OE1 2.94Å; K76-E105 IonicContact NZ-OE2 3.26Å; K76-E105 PolarHBondContact NZ-OE2 3.37Å
106	V	95.1	Very high	94.5	Very high	59 Å²	59	72.8 Å²	72.8	36%	0.358	37%	0.367	S	S	.	.	S	Bend	trans	-123.9	104.7	170.9	-179.1	0	0	0	0	108	L104 P122	L104-V106 VanDerWaalsContact C-N 3.29Å; L104-V106 PolarHBondContact O-N 2.95Å; V106-P122 HydrophobicContact CB-CG 4.43Å; V106-P122 HydrophobicContact CG2-CB 4.04Å; V106-P122 HydrophobicContact CG2-CG 4.09Å
107	P	96.3	Very high	94.5	Very high	91 Å²	91	68.3 Å²	68.3	59%	0.591	35%	0.351	S	S	*	.			trans	-64.8	161.5	174.4	-22.7	34.6	0	0	0	112.8
108	C	97.2	Very high	94.4	Very high	15 Å²	15	68.7 Å²	68.7	10%	0.101	36%	0.356	C	S	.	.			trans	-71.9	137.8	172.4	-52.1	0	0	0	0	111.7	V99 C110 C117 T118 C119	V99-C108 WeakPolarHBondContact O-CB 3.26Å; C108-C110 PolarHBondContact O-N 3.3Å; C108-C110 VanDerWaalsContact O-N 3.15Å; C108-C117 HydrophobicContact CB-CB 4.1Å; C108-T118 CarbonylContact C-O 3.54Å; C108-T118 VanDerWaalsContact CA-O 3.31Å; C108-T118 WeakPolarHBondContact CA-O 3.38Å; C108-C119 HydrophobicContact CB-CB 4.02Å; C108-C119 WeakPolarHBondContact CB-SG 3.41Å; C108-C119 WeakPolarHBondContact SG-CA 3.44Å; C108-C119 WeakPolarHBondContact SG-CB 3.04Å; C108-C119 CovalentContact SG-SG 2.04Å; C108-C119 PolarHBondContact SG-SG 2.71Å
109	D	96.4	Very high	94.4	Very high	67 Å²	67	68.8 Å²	68.8	36%	0.358	36%	0.357	S	S	.	.	B	Isolated β-bridge	trans	-74.7	102.2	170	178.3	11.6	0	0	0	109.6	R111 C117 T118	D109-R111 VanDerWaalsContact OD1-CG 3.25Å; D109-R111 WeakPolarHBondContact OD1-CG 3.45Å; D109-R111 IonicContact OD1-NE 3.7Å; D109-R111 IonicContact OD2-CZ 2.72Å; D109-R111 VanDerWaalsContact OD2-CZ 3.29Å; D109-R111 IonicContact OD2-NE 3.94Å; D109-R111 PolarHBondContact OD2-NE 2.83Å; D109-R111 IonicContact OD2-NH2 2.77Å; D109-R111 PolarHBondContact OD2-NH2 3.04Å; D109-C117 CarbonylContact O-C 3.43Å; D109-C117 WeakPolarHBondContact O-CA 3.15Å; D109-C117 WeakPolarHBondContact O-CB 3.39Å; D109-T118 PolarHBondContact N-O 3.46Å; D109-T118 PolarHBondContact O-N 2.83Å
110	C	95.7	Very high	94.2	Very high	36 Å²	36	73.5 Å²	73.5	24%	0.243	37%	0.374	C	S	.	.			trans	-107.8	87.8	178.3	-72.7	0	0	0	0	111	Q100 C108 C117	Q100-C110 HydrophobicContact CG-CB 4.34Å; C108-C110 PolarHBondContact O-N 3.3Å; C108-C110 VanDerWaalsContact O-N 3.15Å; C110-C117 WeakPolarHBondContact CA-SG 3.49Å; C110-C117 HydrophobicContact CB-CB 3.98Å; C110-C117 WeakPolarHBondContact CB-SG 3.37Å; C110-C117 WeakPolarHBondContact SG-CB 3.47Å; C110-C117 CovalentContact SG-SG 2.03Å; C110-C117 PolarHBondContact SG-SG 2.97Å
111	R	91.3	Very high	94.1	Very high	110 Å²	110	68 Å²	68	42%	0.415	35%	0.349	S	S	.	.			trans	-73.3	135.7	-176.6	-59	-176.3	-175.7	-153.4	-5.5	112.6	D109 G113 Q114	D109-R111 VanDerWaalsContact OD1-CG 3.25Å; D109-R111 WeakPolarHBondContact OD1-CG 3.45Å; D109-R111 IonicContact OD1-NE 3.7Å; D109-R111 IonicContact OD2-CZ 2.72Å; D109-R111 VanDerWaalsContact OD2-CZ 3.29Å; D109-R111 IonicContact OD2-NE 3.94Å; D109-R111 PolarHBondContact OD2-NE 2.83Å; D109-R111 IonicContact OD2-NH2 2.77Å; D109-R111 PolarHBondContact OD2-NH2 3.04Å; R111-G113 PolarHBondContact O-N 3.32Å; R111-Q114 HydrophobicContact CB-CB 4.4Å; R111-Q114 HydrophobicContact CB-CG 4.11Å; R111-Q114 PolarHBondContact O-N 3.4Å
112	P	88.8	Confident	94	Very high	137 Å²	137	68 Å²	68	89%	0.89	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	129	174.7	-27.9	35.6	0	0	0	112.2	Q114	P112-Q114 VanDerWaalsContact C-N 3.31Å; P112-Q114 PolarHBondContact O-N 2.98Å
113	G	85.1	Confident	93.6	Very high	50 Å²	50	75.4 Å²	75.4	52%	0.515	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.5	-10.2	-179.9	0	0	0	0	0	115.9	R111 R421	R111-G113 PolarHBondContact O-N 3.32Å; G113-R421 VanDerWaalsContact CA-NH2 3.27Å
114	Q	87.9	Confident	93.3	Very high	115 Å²	115	73.5 Å²	73.5	54%	0.537	38%	0.382	S	S	.	.			trans	-87	134.8	169.1	-66	-171.3	-14.3	0	0	110.5	R111 P112 K116	R111-Q114 HydrophobicContact CB-CB 4.4Å; R111-Q114 HydrophobicContact CB-CG 4.11Å; R111-Q114 PolarHBondContact O-N 3.4Å; P112-Q114 VanDerWaalsContact C-N 3.31Å; P112-Q114 PolarHBondContact O-N 2.98Å; Q114-K116 VanDerWaalsContact C-N 3.26Å; Q114-K116 PolarHBondContact O-N 2.76Å
115	K	87.9	Confident	93	Very high	140 Å²	140	80.8 Å²	80.8	61%	0.609	41%	0.412	S	S	*	.	S	Bend	trans	-81.6	-2.4	177.9	-68.6	176.7	-179.9	167.7	0	113.7	F133	K115-F133 WeakPolarHBondContact O-CD1 3.26Å
116	K	95.3	Very high	92.9	Very high	106 Å²	106	75.9 Å²	75.9	46%	0.461	39%	0.389	S	S	.	.			trans	-136.6	126.9	-175	-171.2	-168.8	76.3	179.2	0	108.4	Q114 S134	Q114-K116 VanDerWaalsContact C-N 3.26Å; Q114-K116 PolarHBondContact O-N 2.76Å; K116-S134 VanDerWaalsContact CD-O 3.3Å; K116-S134 WeakPolarHBondContact CD-O 3.49Å; K116-S134 VanDerWaalsContact CG-O 3.22Å; K116-S134 WeakPolarHBondContact CG-O 3.37Å
117	C	96.6	Very high	92.8	Very high	8 Å²	8	73.8 Å²	73.8	5%	0.054	38%	0.376	C	S	.	.			trans	-91.2	158.1	171.7	-51.5	0	0	0	0	110.8	V99 C108 D109 C110 F133 S134	V99-C117 HydrophobicContact CB-CB 4.35Å; C108-C117 HydrophobicContact CB-CB 4.1Å; D109-C117 CarbonylContact O-C 3.43Å; D109-C117 WeakPolarHBondContact O-CA 3.15Å; D109-C117 WeakPolarHBondContact O-CB 3.39Å; C110-C117 WeakPolarHBondContact CA-SG 3.49Å; C110-C117 HydrophobicContact CB-CB 3.98Å; C110-C117 WeakPolarHBondContact CB-SG 3.37Å; C110-C117 WeakPolarHBondContact SG-CB 3.47Å; C110-C117 CovalentContact SG-SG 2.03Å; C110-C117 PolarHBondContact SG-SG 2.97Å; C117-F133 PolarHBondContact N-O 3.08Å; C117-S134 WeakPolarHBondContact O-CA 3.18Å
118	T	96.4	Very high	92.8	Very high	45 Å²	45	69.5 Å²	69.5	28%	0.276	35%	0.348	S	S	.	.	B	Isolated β-bridge	trans	-98.2	101.4	173.2	-62	0	0	0	0	109.4	C108 D109 Y120	C108-T118 CarbonylContact C-O 3.54Å; C108-T118 VanDerWaalsContact CA-O 3.31Å; C108-T118 WeakPolarHBondContact CA-O 3.38Å; D109-T118 PolarHBondContact N-O 3.46Å; D109-T118 PolarHBondContact O-N 2.83Å; T118-Y120 HydrophobicContact CG2-CD1 3.84Å; T118-Y120 HydrophobicContact CG2-CD2 3.41Å; T118-Y120 VanDerWaalsContact CG2-CD2 3.41Å; T118-Y120 HydrophobicContact CG2-CE1 3.64Å; T118-Y120 HydrophobicContact CG2-CE2 3.21Å; T118-Y120 HydrophobicContact CG2-CG 3.71Å
119	C	96.7	Very high	92.9	Very high	2 Å²	2	68.8 Å²	68.8	1%	0.014	34%	0.343	C	S	.	.			trans	-99	78.7	179.1	-67	0	0	0	0	111.2	C108 T127 W128 L129	C108-C119 HydrophobicContact CB-CB 4.02Å; C108-C119 WeakPolarHBondContact CB-SG 3.41Å; C108-C119 WeakPolarHBondContact SG-CA 3.44Å; C108-C119 WeakPolarHBondContact SG-CB 3.04Å; C108-C119 CovalentContact SG-SG 2.04Å; C108-C119 PolarHBondContact SG-SG 2.71Å; C119-T127 WeakPolarHBondContact O-CA 3.3Å; C119-T127 PolarHBondContact O-OG1 2.98Å; C119-T127 VanDerWaalsContact O-OG1 3.14Å; C119-W128 HydrophobicContact CB-CZ2 4.22Å; C119-L129 HydrophobicContact CB-CB 4.42Å
120	Y	95.3	Very high	92.9	Very high	106 Å²	106	65.9 Å²	65.9	42%	0.416	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	158	179	-70.9	-25.2	0	0	0	113.3	T118 R124 K125 E126 W128	T118-Y120 HydrophobicContact CG2-CD1 3.84Å; T118-Y120 HydrophobicContact CG2-CD2 3.41Å; T118-Y120 VanDerWaalsContact CG2-CD2 3.41Å; T118-Y120 HydrophobicContact CG2-CE1 3.64Å; T118-Y120 HydrophobicContact CG2-CE2 3.21Å; T118-Y120 HydrophobicContact CG2-CG 3.71Å; Y120-R124 WeakPolarHBondContact CB-O 3.38Å; Y120-K125 HydrophobicContact CD2-CB 4.47Å; Y120-K125 HydrophobicContact CE2-CB 4.18Å; Y120-K125 HydrophobicContact CE2-CG 4.26Å; Y120-E126 CarbonylContact C-O 3.53Å; Y120-E126 VanDerWaalsContact CA-O 3.27Å; Y120-E126 WeakPolarHBondContact CA-O 3.24Å; Y120-W128 PolarHBondContact O-NE1 2.72Å
121	R	94.6	Very high	93.1	Very high	4 Å²	4	64.3 Å²	64.3	2%	0.015	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	153.7	169.1	-60.3	-178.5	-169	-78.7	-2.7	110.2	I75 G77 E78 D79 N123 R124 E126 T127 W128	I75-R121 WeakPolarHBondContact O-CD 3.49Å; I75-R121 VanDerWaalsContact O-CG 3.26Å; I75-R121 WeakPolarHBondContact O-CG 3.24Å; I75-R121 PolarHBondContact O-NH1 3.28Å; G77-R121 VanDerWaalsContact O-CD 3.3Å; G77-R121 WeakPolarHBondContact O-CD 3.46Å; G77-R121 PolarHBondContact O-NE 2.03Å; G77-R121 PolarHBondContact O-NH1 3Å; E78-R121 VanDerWaalsContact C-NH2 3.31Å; E78-R121 PolarHBondContact O-NH2 2.82Å; E78-R121 VanDerWaalsContact O-NH2 3.16Å; D79-R121 VanDerWaalsContact O-CZ 3.3Å; D79-R121 PolarHBondContact O-NH1 3.43Å; D79-R121 PolarHBondContact O-NH2 3.45Å; R121-N123 PolarHBondContact O-N 2.98Å; R121-R124 HydrophobicContact CB-CB 4.38Å; R121-R124 PolarHBondContact O-N 2.88Å; R121-R124 VanDerWaalsContact O-O 3.08Å; R121-E126 PolarHBondContact N-O 3.38Å; R121-T127 PolarHBondContact NH2-O 2.71Å; R121-W128 HydrophobicContact CG-CB 4.21Å
122	P	93.5	Very high	93.4	Very high	11 Å²	11	62.8 Å²	62.8	7%	0.071	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.2	130	167.8	-25.3	35.2	0	0	0	110.8	K76 V106 R124	K76-P122 HydrophobicContact CG-CB 4.32Å; K76-P122 HydrophobicContact CG-CG 4.02Å; V106-P122 HydrophobicContact CB-CG 4.43Å; V106-P122 HydrophobicContact CG2-CB 4.04Å; V106-P122 HydrophobicContact CG2-CG 4.09Å; P122-R124 PolarHBondContact O-N 2.86Å; P122-R124 VanDerWaalsContact O-N 3.13Å
123	N	89.4	Confident	93.8	Very high	164 Å²	164	57.2 Å²	57.2	88%	0.877	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.5	12.9	177.3	-51.1	-23.6	0	0	0	116.8	R121	R121-N123 PolarHBondContact O-N 2.98Å
124	R	89.6	Confident	94.4	Very high	116 Å²	116	55.3 Å²	55.3	44%	0.438	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	140	177.2	-58.5	-173.9	-175.4	176	1.3	112.6	E78 Y120 R121 P122 E126	E78-R124 IonicContact OE1-NH1 3.4Å; E78-R124 PolarHBondContact OE1-NH1 3Å; Y120-R124 WeakPolarHBondContact CB-O 3.38Å; R121-R124 HydrophobicContact CB-CB 4.38Å; R121-R124 PolarHBondContact O-N 2.88Å; R121-R124 VanDerWaalsContact O-O 3.08Å; P122-R124 PolarHBondContact O-N 2.86Å; P122-R124 VanDerWaalsContact O-N 3.13Å; R124-E126 HydrophobicContact CB-CB 4.36Å; R124-E126 HydrophobicContact CB-CG 4.15Å; R124-E126 VanDerWaalsContact CD-OE2 3.26Å; R124-E126 WeakPolarHBondContact CD-OE2 3.46Å; R124-E126 IonicContact NH1-OE2 2.68Å; R124-E126 PolarHBondContact NH1-OE2 3.45Å; R124-E126 PolarHBondContact O-N 3.28Å
125	K	89.8	Confident	94.8	Very high	183 Å²	183	50.9 Å²	50.9	80%	0.796	23%	0.233	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-77.9	40.2	175.5	-63.7	178.4	-178.8	171.3	0	112.9	Y120	Y120-K125 HydrophobicContact CD2-CB 4.47Å; Y120-K125 HydrophobicContact CE2-CB 4.18Å; Y120-K125 HydrophobicContact CE2-CG 4.26Å
126	E	91.3	Very high	95.2	Very high	29 Å²	29	45 Å²	45	14%	0.136	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	144.6	-175.5	-60.1	-175.1	141.4	0	0	109.2	Y120 R121 R124 E160 K164	Y120-E126 CarbonylContact C-O 3.53Å; Y120-E126 VanDerWaalsContact CA-O 3.27Å; Y120-E126 WeakPolarHBondContact CA-O 3.24Å; R121-E126 PolarHBondContact N-O 3.38Å; R124-E126 HydrophobicContact CB-CB 4.36Å; R124-E126 HydrophobicContact CB-CG 4.15Å; R124-E126 VanDerWaalsContact CD-OE2 3.26Å; R124-E126 WeakPolarHBondContact CD-OE2 3.46Å; R124-E126 IonicContact NH1-OE2 2.68Å; R124-E126 PolarHBondContact NH1-OE2 3.45Å; R124-E126 PolarHBondContact O-N 3.28Å; E126-E160 WeakPolarHBondContact CA-OE1 3.3Å; E126-E160 WeakPolarHBondContact CB-OE1 3.35Å; E126-E160 HydrophobicContact CG-CG 4.21Å; E126-K164 IonicContact OE1-NZ 2.63Å; E126-K164 PolarHBondContact OE1-NZ 2.79Å; E126-K164 IonicContact OE2-NZ 2.85Å; E126-K164 PolarHBondContact OE2-NZ 3.38Å
127	T	94.3	Very high	95.3	Very high	15 Å²	15	44.1 Å²	44.1	9%	0.092	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	139.7	-177.6	-170.5	0	0	0	0	112.7	C119 R121 L129 T135 L156 E160	C119-T127 WeakPolarHBondContact O-CA 3.3Å; C119-T127 PolarHBondContact O-OG1 2.98Å; C119-T127 VanDerWaalsContact O-OG1 3.14Å; R121-T127 PolarHBondContact NH2-O 2.71Å; T127-L129 PolarHBondContact OG1-N 3.22Å; T127-L129 PolarHBondContact OG1-O 3.35Å; T127-T135 HydrophobicContact CG2-CG2 3.95Å; T127-L156 HydrophobicContact CG2-CD2 3.65Å; T127-E160 PolarHBondContact N-OE1 2.6Å
128	W	96.1	Very high	95.2	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.219	C	C	.	.	S	Bend	trans	-97.6	-7.7	170.4	63	-94.2	0	0	0	112.9	F73 I75 V80 I81 L104 C119 Y120 R121	F73-W128 HydrophobicContact CE1-CE3 4.22Å; F73-W128 HydrophobicContact CZ-CB 4.37Å; F73-W128 AromaticContact CZ-CE3 4Å; F73-W128 HydrophobicContact CZ-CE3 4Å; I75-W128 HydrophobicContact CD1-CD2 3.9Å; I75-W128 HydrophobicContact CD1-CE3 4.47Å; I75-W128 HydrophobicContact CD1-CG 3.92Å; I75-W128 HydrophobicContact CG1-CB 3.93Å; I75-W128 HydrophobicContact CG1-CD2 4.19Å; I75-W128 HydrophobicContact CG1-CG 3.76Å; V80-W128 WeakPolarHBondContact CA-O 3.39Å; I81-W128 HydrophobicContact CD1-CZ3 4.41Å; I81-W128 PolarHBondContact N-O 2.87Å; L104-W128 HydrophobicContact CD1-CH2 4.07Å; L104-W128 HydrophobicContact CD1-CZ2 3.44Å; L104-W128 VanDerWaalsContact CD1-CZ2 3.44Å; C119-W128 HydrophobicContact CB-CZ2 4.22Å; Y120-W128 PolarHBondContact O-NE1 2.72Å; R121-W128 HydrophobicContact CG-CB 4.21Å
129	L	98.1	Very high	95.3	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	120.2	-177	-179.2	64.7	0	0	0	111	I81 L98 V99 C119 T127 S134	I81-L129 HydrophobicContact CB-CD1 3.98Å; I81-L129 HydrophobicContact CG2-CD1 3.8Å; L98-L129 HydrophobicContact CB-CD2 3.97Å; L98-L129 HydrophobicContact CD1-CD1 4.27Å; V99-L129 HydrophobicContact CG1-CD2 3.73Å; C119-L129 HydrophobicContact CB-CB 4.42Å; T127-L129 PolarHBondContact OG1-N 3.22Å; T127-L129 PolarHBondContact OG1-O 3.35Å; L129-S134 WeakPolarHBondContact O-CB 3.4Å; L129-S134 PolarHBondContact O-OG 3.27Å
130	F	98.3	Very high	95.3	Very high	7 Å²	7	44.5 Å²	44.5	3%	0.031	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	112.6	167.8	-165.5	-78.2	0	0	0	109.5	V80 I81 V82 F83 T135 C139 L148 V152 V155 L156	V80-F130 HydrophobicContact CG1-CB 4.13Å; I81-F130 PolarHBondContact O-N 3Å; V82-F130 HydrophobicContact CG1-CB 4.34Å; V82-F130 HydrophobicContact CG1-CD1 4.17Å; V82-F130 HydrophobicContact CG2-CB 4.23Å; F83-F130 PolarHBondContact N-O 3.46Å; F130-T135 HydrophobicContact CD2-CG2 3.8Å; F130-T135 WeakPolarHBondContact CD2-OG1 3.46Å; F130-T135 HydrophobicContact CE2-CG2 4.28Å; F130-T135 HydrophobicContact CG-CG2 4.27Å; F130-T135 WeakPolarHBondContact CG-OG1 3.19Å; F130-C139 HydrophobicContact CZ-CB 4.28Å; F130-L148 HydrophobicContact CD1-CD2 4.37Å; F130-L148 HydrophobicContact CE1-CD2 3.87Å; F130-V152 HydrophobicContact CD1-CG2 3.91Å; F130-V152 HydrophobicContact CD2-CG1 4.06Å; F130-V152 HydrophobicContact CD2-CG2 4.34Å; F130-V152 HydrophobicContact CE1-CG2 3.73Å; F130-V152 HydrophobicContact CE2-CG1 4.44Å; F130-V152 HydrophobicContact CE2-CG2 4.18Å; F130-V152 HydrophobicContact CG-CG1 4.18Å; F130-V152 HydrophobicContact CG-CG2 4.22Å; F130-V152 HydrophobicContact CZ-CG2 3.87Å; F130-V155 HydrophobicContact CE2-CG1 4.08Å; F130-L156 HydrophobicContact CD2-CD1 4.05Å; F130-L156 HydrophobicContact CD2-CD2 4.29Å; F130-L156 HydrophobicContact CD2-CG 4.21Å
131	S	98.4	Very high	95.5	Very high	3 Å²	3	40.9 Å²	40.9	2%	0.021	20%	0.199	C	C	.	.	S	Bend	trans	-164.5	163.9	-177	79.3	0	0	0	0	111.6	F133 S134 T135 G136	S131-F133 PolarHBondContact O-N 3.17Å; S131-F133 VanDerWaalsContact O-N 3.09Å; S131-F133 PolarHBondContact OG-N 3.48Å; S131-S134 PolarHBondContact N-OG 2.92Å; S131-S134 VanDerWaalsContact N-OG 3.1Å; S131-S134 PolarHBondContact O-N 2.69Å; S131-S134 PolarHBondContact O-OG 3.4Å; S131-S134 PolarHBondContact OG-N 3.27Å; S131-S134 PolarHBondContact OG-OG 3.04Å; S131-T135 PolarHBondContact N-OG1 3.43Å; S131-T135 PolarHBondContact O-N 2.99Å; S131-T135 PolarHBondContact O-OG1 3.4Å; S131-G136 PolarHBondContact O-N 2.9Å; S131-G136 VanDerWaalsContact O-N 3.09Å
132	R	97.8	Very high	95.6	Very high	78 Å²	78	41.4 Å²	41.4	29%	0.294	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-44.9	-42.2	169.5	178.2	-170.7	176	-172.8	-1.7	113.2	G136 W137	R132-G136 WeakPolarHBondContact O-CA 3.42Å; R132-G136 PolarHBondContact O-N 3.12Å; R132-W137 HydrophobicContact CB-CH2 3.98Å; R132-W137 HydrophobicContact CB-CZ2 3.96Å; R132-W137 HydrophobicContact CB-CZ3 4.23Å; R132-W137 HydrophobicContact CG-CD2 4.41Å; R132-W137 HydrophobicContact CG-CH2 4.21Å; R132-W137 HydrophobicContact CG-CZ2 3.66Å
133	F	97.8	Very high	95.9	Very high	20 Å²	20	41.1 Å²	41.1	9%	0.088	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-0.9	-173.3	-66.8	-61.7	0	0	0	114	T92 G95 R96 V99 K115 C117 S131	T92-F133 HydrophobicContact CG2-CZ 4.28Å; G95-F133 VanDerWaalsContact C-CD2 3.49Å; R96-F133 HydrophobicContact CG-CE2 4.14Å; R96-F133 HydrophobicContact CG-CZ 4.28Å; V99-F133 HydrophobicContact CG1-CB 3.87Å; V99-F133 HydrophobicContact CG2-CB 4Å; K115-F133 WeakPolarHBondContact O-CD1 3.26Å; C117-F133 PolarHBondContact N-O 3.08Å; S131-F133 PolarHBondContact O-N 3.17Å; S131-F133 VanDerWaalsContact O-N 3.09Å; S131-F133 PolarHBondContact OG-N 3.48Å
134	S	96.9	Very high	96.3	Very high	9 Å²	9	33.4 Å²	33.4	6%	0.063	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.8	-51.9	177.8	56.8	0	0	0	0	112.9	K116 C117 L129 S131	K116-S134 VanDerWaalsContact CD-O 3.3Å; K116-S134 WeakPolarHBondContact CD-O 3.49Å; K116-S134 VanDerWaalsContact CG-O 3.22Å; K116-S134 WeakPolarHBondContact CG-O 3.37Å; C117-S134 WeakPolarHBondContact O-CA 3.18Å; L129-S134 WeakPolarHBondContact O-CB 3.4Å; L129-S134 PolarHBondContact O-OG 3.27Å; S131-S134 PolarHBondContact N-OG 2.92Å; S131-S134 VanDerWaalsContact N-OG 3.1Å; S131-S134 PolarHBondContact O-N 2.69Å; S131-S134 PolarHBondContact O-OG 3.4Å; S131-S134 PolarHBondContact OG-N 3.27Å; S131-S134 PolarHBondContact OG-OG 3.04Å
135	T	96.3	Very high	96.8	Very high	22 Å²	22	30 Å²	30	14%	0.135	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.9	-6.2	179.2	51	0	0	0	0	113.1	T127 F130 S131 S138	T127-T135 HydrophobicContact CG2-CG2 3.95Å; F130-T135 HydrophobicContact CD2-CG2 3.8Å; F130-T135 WeakPolarHBondContact CD2-OG1 3.46Å; F130-T135 HydrophobicContact CE2-CG2 4.28Å; F130-T135 HydrophobicContact CG-CG2 4.27Å; F130-T135 WeakPolarHBondContact CG-OG1 3.19Å; S131-T135 PolarHBondContact N-OG1 3.43Å; S131-T135 PolarHBondContact O-N 2.99Å; S131-T135 PolarHBondContact O-OG1 3.4Å; T135-S138 PolarHBondContact O-OG 3.24Å
136	G	96.5	Very high	97.2	Very high	17 Å²	17	21.3 Å²	21.3	18%	0.175	11%	0.109	C	C	.	.			trans	69.9	-160.9	-172.8	0	0	0	0	0	111.6	S131 R132 S138	S131-G136 PolarHBondContact O-N 2.9Å; S131-G136 VanDerWaalsContact O-N 3.09Å; R132-G136 WeakPolarHBondContact O-CA 3.42Å; R132-G136 PolarHBondContact O-N 3.12Å; G136-S138 PolarHBondContact O-N 2.97Å; G136-S138 VanDerWaalsContact O-N 3.08Å
137	W	96.9	Very high	97.5	Very high	88 Å²	88	20.3 Å²	20.3	33%	0.333	10%	0.104	S	C	.	.	S	Bend	trans	-86.2	48.6	177.4	-63	126	0	0	0	112.1	H85 R132 C139 G140 L141 H142	H85-W137 HydrophobicContact CB-CH2 4.35Å; H85-W137 AromaticContact ND1-CH2 3.95Å; R132-W137 HydrophobicContact CB-CH2 3.98Å; R132-W137 HydrophobicContact CB-CZ2 3.96Å; R132-W137 HydrophobicContact CB-CZ3 4.23Å; R132-W137 HydrophobicContact CG-CD2 4.41Å; R132-W137 HydrophobicContact CG-CH2 4.21Å; R132-W137 HydrophobicContact CG-CZ2 3.66Å; W137-C139 PolarHBondContact O-N 3.38Å; W137-G140 WeakPolarHBondContact CB-O 3.49Å; W137-G140 PolarHBondContact O-N 2.71Å; W137-L141 HydrophobicContact CD2-CD1 3.99Å; W137-L141 VanDerWaalsContact CE2-CD1 3.45Å; W137-L141 HydrophobicContact CG-CD1 4.13Å; W137-L141 HydrophobicContact CZ2-CD1 3.8Å; W137-L141 VanDerWaalsContact NE1-CD1 3.29Å; W137-H142 VanDerWaalsContact CE3-N 3.27Å; W137-H142 HydrophobicContact CH2-CB 4.29Å; W137-H142 AromaticContact CH2-CD2 3.78Å; W137-H142 AromaticContact CH2-CE1 3.87Å; W137-H142 AromaticContact CH2-CG 3.67Å; W137-H142 AromaticContact CH2-ND1 3.73Å; W137-H142 AromaticContact CH2-NE2 3.92Å; W137-H142 AromaticContact CZ2-CD2 3.74Å; W137-H142 AromaticContact CZ2-NE2 3.78Å; W137-H142 VanDerWaalsContact CZ3-CA 3.45Å; W137-H142 HydrophobicContact CZ3-CB 4.5Å
138	S	96.4	Very high	97.7	Very high	47 Å²	47	19.9 Å²	19.9	33%	0.329	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-13.6	-173.8	-75.2	0	0	0	0	114.6	T135 G136	T135-S138 PolarHBondContact O-OG 3.24Å; G136-S138 PolarHBondContact O-N 2.97Å; G136-S138 VanDerWaalsContact O-N 3.08Å
139	C	97.6	Very high	97.8	Very high	8 Å²	8	21.7 Å²	21.7	5%	0.054	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.3	18	176.7	-71.8	0	0	0	0	113.2	F130 W137 A143 L148 C151	F130-C139 HydrophobicContact CZ-CB 4.28Å; W137-C139 PolarHBondContact O-N 3.38Å; C139-A143 HydrophobicContact CB-CB 4.15Å; C139-A143 WeakPolarHBondContact O-CB 3Å; C139-L148 HydrophobicContact CB-CD2 4.12Å; C139-C151 WeakPolarHBondContact CA-SG 3.36Å; C139-C151 HydrophobicContact CB-CB 3.63Å; C139-C151 WeakPolarHBondContact CB-SG 3.36Å; C139-C151 WeakPolarHBondContact SG-CB 3.37Å; C139-C151 CovalentContact SG-SG 2.03Å; C139-C151 PolarHBondContact SG-SG 2.92Å
140	G	97.1	Very high	97.7	Very high	8 Å²	8	27.7 Å²	27.7	8%	0.082	15%	0.145	C	C	.	.			trans	110.1	154.1	-173.4	0	0	0	0	0	113.1	W137 H142 A143	W137-G140 WeakPolarHBondContact CB-O 3.49Å; W137-G140 PolarHBondContact O-N 2.71Å; G140-H142 PolarHBondContact O-N 2.71Å; G140-A143 PolarHBondContact O-N 2.96Å
141	L	98.2	Very high	97.7	Very high	29 Å²	29	29 Å²	29	15%	0.152	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	122.3	175.7	171.8	61.4	0	0	0	109.5	W137 A143 W195 T197 S198	W137-L141 HydrophobicContact CD2-CD1 3.99Å; W137-L141 VanDerWaalsContact CE2-CD1 3.45Å; W137-L141 HydrophobicContact CG-CD1 4.13Å; W137-L141 HydrophobicContact CZ2-CD1 3.8Å; W137-L141 VanDerWaalsContact NE1-CD1 3.29Å; L141-A143 PolarHBondContact O-N 3.28Å; L141-W195 HydrophobicContact CD2-CB 3.99Å; L141-W195 HydrophobicContact CD2-CG 4.47Å; L141-T197 VanDerWaalsContact CD2-OG1 3.28Å; L141-T197 WeakPolarHBondContact CD2-OG1 3.31Å; L141-S198 WeakPolarHBondContact O-CB 3.05Å; L141-S198 PolarHBondContact O-OG 3.1Å
142	H	98.3	Very high	97.5	Very high	15 Å²	15	28.9 Å²	28.9	7%	0.069	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.1	38.9	-176	-77.2	-86.3	0	0	0	113.5	H85 W137 G140 D144 W195 M244	H85-H142 AromaticContact CE1-CE1 3.74Å; H85-H142 AromaticContact CG-CE1 3.92Å; H85-H142 AromaticContact ND1-CE1 3.73Å; H85-H142 AromaticContact NE2-CE1 3.91Å; H85-H142 PolarHBondContact O-ND1 3.49Å; W137-H142 VanDerWaalsContact CE3-N 3.27Å; W137-H142 HydrophobicContact CH2-CB 4.29Å; W137-H142 AromaticContact CH2-CD2 3.78Å; W137-H142 AromaticContact CH2-CE1 3.87Å; W137-H142 AromaticContact CH2-CG 3.67Å; W137-H142 AromaticContact CH2-ND1 3.73Å; W137-H142 AromaticContact CH2-NE2 3.92Å; W137-H142 AromaticContact CZ2-CD2 3.74Å; W137-H142 AromaticContact CZ2-NE2 3.78Å; W137-H142 VanDerWaalsContact CZ3-CA 3.45Å; W137-H142 HydrophobicContact CZ3-CB 4.5Å; G140-H142 PolarHBondContact O-N 2.71Å; H142-D144 PolarHBondContact O-N 2.91Å; H142-W195 AromaticContact CD2-CD1 3.37Å; H142-W195 AromaticContact CD2-NE1 3.46Å; H142-W195 PolarHBondContact CD2-NE1 3.33Å; H142-W195 AromaticContact NE2-CD1 3.76Å; H142-W195 AromaticContact NE2-NE1 3.33Å; H142-W195 PolarHBondContact NE2-NE1 3.46Å; H142-M244 HydrophobicContact CB-CE 4.41Å; H142-M244 WeakPolarHBondContact O-CE 3.45Å
143	A	98.6	Very high	97.3	Very high	6 Å²	6	27 Å²	27	5%	0.05	15%	0.151	C	C	.	.			trans	-46.6	127.5	178.8	0	0	0	0	0	112.6	C139 G140 L141 E147 L148	C139-A143 HydrophobicContact CB-CB 4.15Å; C139-A143 WeakPolarHBondContact O-CB 3Å; G140-A143 PolarHBondContact O-N 2.96Å; L141-A143 PolarHBondContact O-N 3.28Å; A143-E147 VanDerWaalsContact CA-OE2 3.26Å; A143-E147 WeakPolarHBondContact CA-OE2 3.18Å; A143-E147 HydrophobicContact CB-CB 3.99Å; A143-L148 HydrophobicContact CB-CD2 3.77Å; A143-L148 HydrophobicContact CB-CG 3.84Å; A143-L148 WeakPolarHBondContact O-CD1 3Å
144	D	98.7	Very high	97	Very high	2 Å²	2	27.6 Å²	27.6	1%	0.011	16%	0.163	C	C	.	.			trans	-86.1	-173.5	-177	72.9	33	0	0	0	114	H142 T146 E147 L148 M244	H142-D144 PolarHBondContact O-N 2.91Å; D144-T146 VanDerWaalsContact C-N 3.32Å; D144-T146 PolarHBondContact O-N 2.96Å; D144-T146 WeakPolarHBondContact OD1-CA 3.27Å; D144-T146 WeakPolarHBondContact OD1-CB 3.38Å; D144-T146 PolarHBondContact OD1-N 3.21Å; D144-E147 PolarHBondContact N-OE2 3.09Å; D144-E147 PolarHBondContact O-N 3.03Å; D144-E147 PolarHBondContact OD1-N 3.34Å; D144-L148 VanDerWaalsContact O-CB 3.26Å; D144-L148 WeakPolarHBondContact O-CB 3.43Å; D144-L148 VanDerWaalsContact O-CG 3.23Å; D144-L148 WeakPolarHBondContact O-CG 3.14Å; D144-L148 PolarHBondContact O-N 3.01Å; D144-M244 HydrophobicContact CB-CB 3.87Å; D144-M244 HydrophobicContact CB-CE 4.12Å; D144-M244 HydrophobicContact CB-CG 3.97Å
145	W	98.8	Very high	96.7	Very high	44 Å²	44	28.6 Å²	28.6	17%	0.167	17%	0.169	C	C	.	.	H	α-helix	trans	-60.7	-40.4	180	-179	97.6	0	0	0	112.2	L84 T149 M244 D247 N275	L84-W145 HydrophobicContact CD1-CB 3.88Å; W145-T149 HydrophobicContact CD2-CG2 4.04Å; W145-T149 HydrophobicContact CG-CG2 4.4Å; W145-T149 HydrophobicContact CH2-CG2 4.46Å; W145-T149 HydrophobicContact CZ2-CG2 4Å; W145-T149 WeakPolarHBondContact O-CB 3.34Å; W145-T149 VanDerWaalsContact O-CG2 3.27Å; W145-T149 WeakPolarHBondContact O-CG2 3.41Å; W145-T149 PolarHBondContact O-N 2.91Å; W145-T149 VanDerWaalsContact O-N 3.09Å; W145-T149 PolarHBondContact O-OG1 2.91Å; W145-M244 WeakPolarHBondContact CB-O 3.46Å; W145-M244 PolarHBondContact N-O 3.44Å; W145-D247 HydrophobicContact CE3-CB 3.88Å; W145-D247 HydrophobicContact CH2-CB 3.81Å; W145-D247 VanDerWaalsContact CZ3-CA 3.49Å; W145-D247 HydrophobicContact CZ3-CB 3.27Å; W145-N275 VanDerWaalsContact CD2-ND2 3.35Å; W145-N275 VanDerWaalsContact CE2-CG 3.49Å; W145-N275 WeakPolarHBondContact CZ2-ND2 3.23Å
146	T	98.6	Very high	96.4	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.006	16%	0.163	C	C	.	.	H	α-helix	trans	-69.4	-43.1	-179.6	-56	0	0	0	0	109.8	D144 T149 N150 C202 A246 L248	D144-T146 VanDerWaalsContact C-N 3.32Å; D144-T146 PolarHBondContact O-N 2.96Å; D144-T146 WeakPolarHBondContact OD1-CA 3.27Å; D144-T146 WeakPolarHBondContact OD1-CB 3.38Å; D144-T146 PolarHBondContact OD1-N 3.21Å; T146-T149 PolarHBondContact O-OG1 3.42Å; T146-N150 PolarHBondContact O-ND2 3.49Å; T146-C202 HydrophobicContact CG2-CB 4.3Å; T146-A246 PolarHBondContact OG1-O 3.34Å; T146-L248 HydrophobicContact CG2-CB 4.44Å; T146-L248 PolarHBondContact OG1-N 2.67Å
147	E	98.6	Very high	95.7	Very high	7 Å²	7	29.9 Å²	29.9	3%	0.033	17%	0.171	C	C	.	.	H	α-helix	trans	-66.3	-48.8	177.4	-63.9	-177.6	107.9	0	0	112.1	A143 D144 C151 L199 H200 M201	A143-E147 VanDerWaalsContact CA-OE2 3.26Å; A143-E147 WeakPolarHBondContact CA-OE2 3.18Å; A143-E147 HydrophobicContact CB-CB 3.99Å; D144-E147 PolarHBondContact N-OE2 3.09Å; D144-E147 PolarHBondContact O-N 3.03Å; D144-E147 PolarHBondContact OD1-N 3.34Å; E147-C151 WeakPolarHBondContact O-CB 3.33Å; E147-C151 PolarHBondContact O-N 3.02Å; E147-L199 WeakPolarHBondContact OE1-CB 3.05Å; E147-H200 WeakPolarHBondContact OE1-CA 3.16Å; E147-H200 PolarHBondContact OE1-N 2.93Å; E147-M201 HydrophobicContact CG-CB 4.05Å; E147-M201 WeakPolarHBondContact CG-O 3.39Å; E147-M201 PolarHBondContact OE1-N 2.83Å
148	L	98.4	Very high	94.6	Very high	7 Å²	7	34.6 Å²	34.6	4%	0.037	19%	0.194	C	C	.	.	H	α-helix	trans	-68.7	-43.1	-174.8	-71.6	170.8	0	0	0	112.9	V82 L84 F130 C139 A143 D144 N150 C151 V152 Y171	V82-L148 HydrophobicContact CG1-CD1 4.4Å; L84-L148 HydrophobicContact CB-CD1 3.73Å; L84-L148 HydrophobicContact CD1-CD1 4.2Å; L84-L148 HydrophobicContact CG-CD1 3.73Å; F130-L148 HydrophobicContact CD1-CD2 4.37Å; F130-L148 HydrophobicContact CE1-CD2 3.87Å; C139-L148 HydrophobicContact CB-CD2 4.12Å; A143-L148 HydrophobicContact CB-CD2 3.77Å; A143-L148 HydrophobicContact CB-CG 3.84Å; A143-L148 WeakPolarHBondContact O-CD1 3Å; D144-L148 VanDerWaalsContact O-CB 3.26Å; D144-L148 WeakPolarHBondContact O-CB 3.43Å; D144-L148 VanDerWaalsContact O-CG 3.23Å; D144-L148 WeakPolarHBondContact O-CG 3.14Å; D144-L148 PolarHBondContact O-N 3.01Å; L148-N150 VanDerWaalsContact C-N 3.3Å; L148-N150 PolarHBondContact O-N 3.29Å; L148-C151 PolarHBondContact O-N 2.93Å; L148-V152 HydrophobicContact CB-CG2 4.12Å; L148-V152 HydrophobicContact CD2-CG2 3.66Å; L148-V152 VanDerWaalsContact O-CB 3.31Å; L148-V152 WeakPolarHBondContact O-CB 3.14Å; L148-V152 VanDerWaalsContact O-CG2 3.27Å; L148-V152 WeakPolarHBondContact O-CG2 3.49Å; L148-V152 PolarHBondContact O-N 2.66Å; L148-Y171 HydrophobicContact CB-CE1 4.04Å
149	T	97.5	Very high	92.9	Very high	37 Å²	37	39.4 Å²	39.4	23%	0.227	21%	0.209	C	C	.	.	H	α-helix	trans	-63.4	-37.2	-178.6	51.2	0	0	0	0	112.3	W145 T146 P153 Y171	W145-T149 HydrophobicContact CD2-CG2 4.04Å; W145-T149 HydrophobicContact CG-CG2 4.4Å; W145-T149 HydrophobicContact CH2-CG2 4.46Å; W145-T149 HydrophobicContact CZ2-CG2 4Å; W145-T149 WeakPolarHBondContact O-CB 3.34Å; W145-T149 VanDerWaalsContact O-CG2 3.27Å; W145-T149 WeakPolarHBondContact O-CG2 3.41Å; W145-T149 PolarHBondContact O-N 2.91Å; W145-T149 VanDerWaalsContact O-N 3.09Å; W145-T149 PolarHBondContact O-OG1 2.91Å; T146-T149 PolarHBondContact O-OG1 3.42Å; T149-P153 WeakPolarHBondContact O-CD 3.44Å; T149-Y171 HydrophobicContact CG2-CE1 4.25Å; T149-Y171 HydrophobicContact CG2-CE2 4.48Å
150	N	96.8	Very high	91.4	Very high	127 Å²	127	40.3 Å²	40.3	68%	0.679	21%	0.212	S	C	*	.	H	α-helix	trans	-79.3	-28.3	176.5	-72.4	-69.5	0	0	0	113.6	T146 L148	T146-N150 PolarHBondContact O-ND2 3.49Å; L148-N150 VanDerWaalsContact C-N 3.3Å; L148-N150 PolarHBondContact O-N 3.29Å
151	C	96.8	Very high	89.6	Confident	34 Å²	34	46.6 Å²	46.6	23%	0.23	24%	0.244	C	C	.	.	H	α-helix	trans	-97.6	-43.6	-173.4	173.1	0	0	0	0	115.3	C139 E147 L148 G154 V155	C139-C151 WeakPolarHBondContact CA-SG 3.36Å; C139-C151 HydrophobicContact CB-CB 3.63Å; C139-C151 WeakPolarHBondContact CB-SG 3.36Å; C139-C151 WeakPolarHBondContact SG-CB 3.37Å; C139-C151 CovalentContact SG-SG 2.03Å; C139-C151 PolarHBondContact SG-SG 2.92Å; E147-C151 WeakPolarHBondContact O-CB 3.33Å; E147-C151 PolarHBondContact O-N 3.02Å; L148-C151 PolarHBondContact O-N 2.93Å; C151-G154 PolarHBondContact O-N 2.87Å; C151-G154 VanDerWaalsContact O-N 3.08Å; C151-V155 PolarHBondContact O-N 3.46Å; C151-V155 WeakPolarHBondContact SG-CG2 3.44Å
152	V	96	Very high	87.5	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-58.7	-44.3	-168.4	171.9	0	0	0	0	113.5	V82 F130 L148 G154 V155 L156 F169	V82-V152 HydrophobicContact CG1-CG2 4.13Å; V82-V152 HydrophobicContact CG2-CG1 4.02Å; F130-V152 HydrophobicContact CD1-CG2 3.91Å; F130-V152 HydrophobicContact CD2-CG1 4.06Å; F130-V152 HydrophobicContact CD2-CG2 4.34Å; F130-V152 HydrophobicContact CE1-CG2 3.73Å; F130-V152 HydrophobicContact CE2-CG1 4.44Å; F130-V152 HydrophobicContact CE2-CG2 4.18Å; F130-V152 HydrophobicContact CG-CG1 4.18Å; F130-V152 HydrophobicContact CG-CG2 4.22Å; F130-V152 HydrophobicContact CZ-CG2 3.87Å; L148-V152 HydrophobicContact CB-CG2 4.12Å; L148-V152 HydrophobicContact CD2-CG2 3.66Å; L148-V152 VanDerWaalsContact O-CB 3.31Å; L148-V152 WeakPolarHBondContact O-CB 3.14Å; L148-V152 VanDerWaalsContact O-CG2 3.27Å; L148-V152 WeakPolarHBondContact O-CG2 3.49Å; L148-V152 PolarHBondContact O-N 2.66Å; V152-G154 VanDerWaalsContact C-N 3.32Å; V152-G154 PolarHBondContact O-N 3.16Å; V152-V155 PolarHBondContact O-N 3.29Å; V152-L156 HydrophobicContact CG1-CD1 3.75Å; V152-L156 PolarHBondContact O-N 3.33Å; V152-L156 VanDerWaalsContact O-N 3.12Å; V152-F169 HydrophobicContact CG1-CD1 3.99Å; V152-F169 HydrophobicContact CG1-CE1 3.89Å
153	P	92.7	Very high	85.3	Confident	38 Å²	38	62.4 Å²	62.4	25%	0.247	31%	0.314	C	S	.	.	H	α-helix	trans	-59.5	-43.1	175.7	-22.7	33.9	0	0	0	112.1	T149 N157 F169	T149-P153 WeakPolarHBondContact O-CD 3.44Å; P153-N157 WeakPolarHBondContact O-CB 3.35Å; P153-N157 PolarHBondContact O-N 2.74Å; P153-N157 PolarHBondContact O-ND2 2.95Å; P153-F169 HydrophobicContact CB-CE2 3.92Å; P153-F169 HydrophobicContact CB-CZ 4.15Å; P153-F169 HydrophobicContact CG-CD2 4.28Å; P153-F169 HydrophobicContact CG-CE2 3.76Å; P153-F169 HydrophobicContact CG-CZ 4.24Å
154	G	91.1	Very high	83.5	Confident	34 Å²	34	64.2 Å²	64.2	35%	0.351	32%	0.32	S	S	.	.	H	α-helix	trans	-66.2	-38.4	179.1	0	0	0	0	0	113.5	C151 V152 K158	C151-G154 PolarHBondContact O-N 2.87Å; C151-G154 VanDerWaalsContact O-N 3.08Å; V152-G154 VanDerWaalsContact C-N 3.32Å; V152-G154 PolarHBondContact O-N 3.16Å; G154-K158 VanDerWaalsContact O-CB 3.31Å; G154-K158 WeakPolarHBondContact O-CB 3.44Å; G154-K158 WeakPolarHBondContact O-CD 3.26Å; G154-K158 WeakPolarHBondContact O-CG 3.25Å; G154-K158 PolarHBondContact O-N 2.84Å
155	V	91.6	Very high	81.5	Confident	29 Å²	29	71.4 Å²	71.4	18%	0.176	36%	0.359	C	S	.	.	H	α-helix	trans	-69.1	-41.5	178.6	168.9	0	0	0	0	112	F130 C151 V152 K159	F130-V155 HydrophobicContact CE2-CG1 4.08Å; C151-V155 PolarHBondContact O-N 3.46Å; C151-V155 WeakPolarHBondContact SG-CG2 3.44Å; V152-V155 PolarHBondContact O-N 3.29Å; V155-K159 WeakPolarHBondContact O-CG 3.35Å
156	L	88.8	Confident	80.1	Confident	5 Å²	5	77.4 Å²	77.4	3%	0.026	39%	0.389	C	S	.	.	H	α-helix	trans	-79.4	-38.8	-177.2	-68.4	170.2	0	0	0	111.9	V80 T127 F130 V152 K158 K159 E160 F169	V80-L156 HydrophobicContact CG1-CD1 4.09Å; V80-L156 HydrophobicContact CG2-CD1 4.35Å; T127-L156 HydrophobicContact CG2-CD2 3.65Å; F130-L156 HydrophobicContact CD2-CD1 4.05Å; F130-L156 HydrophobicContact CD2-CD2 4.29Å; F130-L156 HydrophobicContact CD2-CG 4.21Å; V152-L156 HydrophobicContact CG1-CD1 3.75Å; V152-L156 PolarHBondContact O-N 3.33Å; V152-L156 VanDerWaalsContact O-N 3.12Å; L156-K158 VanDerWaalsContact C-N 3.3Å; L156-K158 PolarHBondContact O-N 3.02Å; L156-K159 PolarHBondContact O-N 3Å; L156-E160 PolarHBondContact O-N 3.18Å; L156-F169 HydrophobicContact CD1-CE1 3.72Å
157	N	82.5	Confident	79.5	Confident	61 Å²	61	78.4 Å²	78.4	33%	0.326	39%	0.393	S	S	.	.	H	α-helix	trans	-77.8	-10.2	179.2	-61.2	-3.6	0	0	0	113.9	P153 E160	P153-N157 WeakPolarHBondContact O-CB 3.35Å; P153-N157 PolarHBondContact O-N 2.74Å; P153-N157 PolarHBondContact O-ND2 2.95Å; N157-E160 VanDerWaalsContact O-O 3.1Å
158	K	72.7	Confident	79.3	Confident	188 Å²	188	83.3 Å²	83.3	82%	0.817	41%	0.414	S	S	*	.	H	α-helix	trans	-85.5	-24.7	168.5	-78.9	176.9	-178.9	-179.5	0	113.1	G154 L156	G154-K158 VanDerWaalsContact O-CB 3.31Å; G154-K158 WeakPolarHBondContact O-CB 3.44Å; G154-K158 WeakPolarHBondContact O-CD 3.26Å; G154-K158 WeakPolarHBondContact O-CG 3.25Å; G154-K158 PolarHBondContact O-N 2.84Å; L156-K158 VanDerWaalsContact C-N 3.3Å; L156-K158 PolarHBondContact O-N 3.02Å
159	K	62	Low	79.2	Confident	148 Å²	148	85.2 Å²	85.2	64%	0.643	42%	0.422	S	S	*	.	H	α-helix	trans	-91.3	-17.8	-178.5	-73.6	179.3	176.7	176.6	0	113.4	V155 L156	V155-K159 WeakPolarHBondContact O-CG 3.35Å; L156-K159 PolarHBondContact O-N 3Å
160	E	65.9	Low	79.3	Confident	27 Å²	27	85.1 Å²	85.1	13%	0.126	42%	0.418	C	S	.	.	S	Bend	trans	-132.8	145.6	-173.7	-60.5	171.9	-175.1	0	0	108.5	E126 T127 L156 N157 R167	E126-E160 WeakPolarHBondContact CA-OE1 3.3Å; E126-E160 WeakPolarHBondContact CB-OE1 3.35Å; E126-E160 HydrophobicContact CG-CG 4.21Å; T127-E160 PolarHBondContact N-OE1 2.6Å; L156-E160 PolarHBondContact O-N 3.18Å; N157-E160 VanDerWaalsContact O-O 3.1Å; E160-R167 IonicContact OE2-CZ 3.8Å; E160-R167 IonicContact OE2-NH1 2.75Å; E160-R167 PolarHBondContact OE2-NH1 2.59Å; E160-R167 IonicContact OE2-NH2 2.83Å; E160-R167 PolarHBondContact OE2-NH2 2.95Å
161	N	59.3	Low	79.4	Confident	139 Å²	139	80.6 Å²	80.6	74%	0.743	39%	0.391	S	S	*	.			trans	-54.3	138	-165.5	-82.3	-24	0	0	0	114.5	Q163	N161-Q163 PolarHBondContact O-N 3.31Å
162	K	53.2	Low	79.5	Confident	193 Å²	193	79 Å²	79	84%	0.839	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-3.6	-168.6	-68.8	-177.5	178.3	176.8	0	117.5	K164	K162-K164 VanDerWaalsContact C-N 3.32Å; K162-K164 PolarHBondContact O-N 3.29Å
163	Q	53.4	Low	79.6	Confident	183 Å²	183	79 Å²	79	86%	0.855	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	0.7	-174.6	-76.8	174.2	-33.7	0	0	114.6	N161 N165	N161-Q163 PolarHBondContact O-N 3.31Å; Q163-N165 PolarHBondContact O-N 3.5Å; Q163-N165 VanDerWaalsContact O-N 3.12Å
164	K	60	Low	79.9	Confident	44 Å²	44	77.2 Å²	77.2	19%	0.191	37%	0.369	C	S	.	.			trans	-90.4	57.4	-169.5	-65.7	-177.6	164.3	-157.8	0	114.7	E78 E126 K162 Q166	E78-K164 VanDerWaalsContact OE1-CE 3.32Å; E78-K164 WeakPolarHBondContact OE1-CE 3.46Å; E78-K164 IonicContact OE1-NZ 2.82Å; E78-K164 PolarHBondContact OE1-NZ 3.06Å; E78-K164 WeakPolarHBondContact OE2-CD 3.3Å; E78-K164 WeakPolarHBondContact OE2-CE 3.34Å; E78-K164 IonicContact OE2-NZ 2.78Å; E78-K164 PolarHBondContact OE2-NZ 2.87Å; E126-K164 IonicContact OE1-NZ 2.63Å; E126-K164 PolarHBondContact OE1-NZ 2.79Å; E126-K164 IonicContact OE2-NZ 2.85Å; E126-K164 PolarHBondContact OE2-NZ 3.38Å; K162-K164 VanDerWaalsContact C-N 3.32Å; K162-K164 PolarHBondContact O-N 3.29Å; K164-Q166 PolarHBondContact O-N 3.39Å
165	N	56.1	Low	80.3	Confident	154 Å²	154	75.6 Å²	75.6	82%	0.824	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	13.4	179.3	-75.3	-8.6	0	0	0	115.7	Q163	Q163-N165 PolarHBondContact O-N 3.5Å; Q163-N165 VanDerWaalsContact O-N 3.12Å
166	Q	70.4	Confident	80.6	Confident	170 Å²	170	75 Å²	75	79%	0.794	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127	8.5	-175.2	-65	-170.7	-5.5	0	0	114.6	K164 K168	K164-Q166 PolarHBondContact O-N 3.39Å; Q166-K168 PolarHBondContact O-N 3.2Å
167	R	86.5	Confident	81	Confident	21 Å²	21	76.7 Å²	76.7	8%	0.079	36%	0.356	C	S	.	.			trans	-64.5	119.2	-179.1	175.5	158.2	-69.5	164.5	-2.9	112.1	E78 V80 E160 F169	E78-R167 WeakPolarHBondContact O-CG 3.39Å; E78-R167 PolarHBondContact O-NE 3.1Å; E78-R167 VanDerWaalsContact O-NE 3.11Å; E78-R167 IonicContact OE2-CZ 2.71Å; E78-R167 IonicContact OE2-NE 3.13Å; E78-R167 IonicContact OE2-NH2 2.68Å; E78-R167 PolarHBondContact OE2-NH2 3.4Å; V80-R167 HydrophobicContact CG2-CG 4.35Å; E160-R167 IonicContact OE2-CZ 3.8Å; E160-R167 IonicContact OE2-NH1 2.75Å; E160-R167 PolarHBondContact OE2-NH1 2.59Å; E160-R167 IonicContact OE2-NH2 2.83Å; E160-R167 PolarHBondContact OE2-NH2 2.95Å; R167-F169 HydrophobicContact CB-CZ 4.32Å; R167-F169 HydrophobicContact CG-CD1 4.3Å; R167-F169 HydrophobicContact CG-CE1 3.64Å; R167-F169 HydrophobicContact CG-CE2 4.02Å; R167-F169 HydrophobicContact CG-CZ 3.5Å; R167-F169 VanDerWaalsContact CG-CZ 3.5Å
168	K	93.8	Very high	81.8	Confident	111 Å²	111	73.8 Å²	73.8	48%	0.483	34%	0.34	S	S	.	.			trans	-90.5	134.7	174.4	-59.2	174.3	-171.3	164	0	110.6	V80 Q166 Y170	V80-K168 PolarHBondContact N-O 2.85Å; Q166-K168 PolarHBondContact O-N 3.2Å; K168-Y170 HydrophobicContact CB-CE1 4.26Å; K168-Y170 HydrophobicContact CB-CE2 4.3Å; K168-Y170 VanDerWaalsContact CD-OH 3.23Å; K168-Y170 WeakPolarHBondContact CD-OH 3.33Å
169	F	96.7	Very high	83	Confident	46 Å²	46	65.6 Å²	65.6	20%	0.202	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	112.6	177.2	-61.8	-69.5	0	0	0	110.3	V80 V82 V152 P153 L156 R167 Y171	V80-F169 HydrophobicContact CB-CD1 4.01Å; V80-F169 HydrophobicContact CB-CE1 4.25Å; V80-F169 HydrophobicContact CG1-CD1 4.36Å; V80-F169 HydrophobicContact CG2-CE1 4.49Å; V80-F169 WeakPolarHBondContact O-CA 3.27Å; V82-F169 HydrophobicContact CG2-CB 4.15Å; V82-F169 HydrophobicContact CG2-CD1 4Å; V152-F169 HydrophobicContact CG1-CD1 3.99Å; V152-F169 HydrophobicContact CG1-CE1 3.89Å; P153-F169 HydrophobicContact CB-CE2 3.92Å; P153-F169 HydrophobicContact CB-CZ 4.15Å; P153-F169 HydrophobicContact CG-CD2 4.28Å; P153-F169 HydrophobicContact CG-CE2 3.76Å; P153-F169 HydrophobicContact CG-CZ 4.24Å; L156-F169 HydrophobicContact CD1-CE1 3.72Å; R167-F169 HydrophobicContact CB-CZ 4.32Å; R167-F169 HydrophobicContact CG-CD1 4.3Å; R167-F169 HydrophobicContact CG-CE1 3.64Å; R167-F169 HydrophobicContact CG-CE2 4.02Å; R167-F169 HydrophobicContact CG-CZ 3.5Å; R167-F169 VanDerWaalsContact CG-CZ 3.5Å; F169-Y171 HydrophobicContact CB-CD2 4.26Å; F169-Y171 HydrophobicContact CB-CE2 3.64Å
170	Y	98.4	Very high	84.7	Confident	35 Å²	35	60.2 Å²	60.2	14%	0.137	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	93.6	178.5	-57.9	-58	0	0	0	109.9	I71 F73 D79 V80 I81 V82 K168 A280 F299	I71-Y170 HydrophobicContact CD1-CD1 3.82Å; I71-Y170 HydrophobicContact CD1-CE1 4.15Å; I71-Y170 HydrophobicContact CD1-CG 4.28Å; I71-Y170 HydrophobicContact CG2-CD1 4.15Å; I71-Y170 HydrophobicContact CG2-CD2 4.24Å; I71-Y170 HydrophobicContact CG2-CE1 3.63Å; I71-Y170 HydrophobicContact CG2-CE2 3.71Å; I71-Y170 HydrophobicContact CG2-CG 4.43Å; F73-Y170 AromaticContact CD2-CD2 3.77Å; F73-Y170 HydrophobicContact CD2-CD2 3.77Å; F73-Y170 AromaticContact CD2-CE2 3.78Å; F73-Y170 HydrophobicContact CD2-CE2 3.78Å; F73-Y170 HydrophobicContact CE2-CD2 4.16Å; F73-Y170 HydrophobicContact CE2-CE2 4.4Å; D79-Y170 HydrophobicContact CB-CD2 4.4Å; D79-Y170 HydrophobicContact CB-CE2 3.73Å; D79-Y170 VanDerWaalsContact OD2-CE2 3.27Å; D79-Y170 WeakPolarHBondContact OD2-CE2 3.44Å; D79-Y170 PolarHBondContact OD2-OH 3.38Å; V80-Y170 PolarHBondContact O-N 2.9Å; I81-Y170 WeakPolarHBondContact CA-O 3.36Å; V82-Y170 PolarHBondContact N-O 2.99Å; K168-Y170 HydrophobicContact CB-CE1 4.26Å; K168-Y170 HydrophobicContact CB-CE2 4.3Å; K168-Y170 VanDerWaalsContact CD-OH 3.23Å; K168-Y170 WeakPolarHBondContact CD-OH 3.33Å; Y170-A280 HydrophobicContact CD1-CB 4.32Å; Y170-A280 HydrophobicContact CG-CB 4.41Å; Y170-F299 HydrophobicContact CD2-CE1 4.29Å; Y170-F299 HydrophobicContact CG-CE1 4.14Å
171	Y	98.8	Very high	86.2	Confident	33 Å²	33	58.9 Å²	58.9	13%	0.129	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	133	178.1	-71	-91.3	0	0	0	111.4	V82 L148 T149 F169 M279 A280	V82-Y171 HydrophobicContact CB-CD1 3.85Å; V82-Y171 HydrophobicContact CB-CE1 3.93Å; V82-Y171 HydrophobicContact CB-CG 4.32Å; V82-Y171 HydrophobicContact CG1-CD1 3.8Å; V82-Y171 HydrophobicContact CG1-CE1 3.59Å; V82-Y171 HydrophobicContact CG2-CE1 4.34Å; V82-Y171 WeakPolarHBondContact O-CA 3.25Å; L148-Y171 HydrophobicContact CB-CE1 4.04Å; T149-Y171 HydrophobicContact CG2-CE1 4.25Å; T149-Y171 HydrophobicContact CG2-CE2 4.48Å; F169-Y171 HydrophobicContact CB-CD2 4.26Å; F169-Y171 HydrophobicContact CB-CE2 3.64Å; Y171-M279 WeakPolarHBondContact O-CB 3.5Å; Y171-A280 PolarHBondContact O-N 3.04Å; Y171-A280 VanDerWaalsContact O-N 3.12Å
172	I	98.9	Very high	88.1	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	152.9	175.7	69.2	173.8	0	0	0	111.8	I81 V82 F83 L84 F94 L98 A280 F281 F295 F299	I81-I172 HydrophobicContact CG2-CD1 3.49Å; I81-I172 VanDerWaalsContact CG2-CD1 3.49Å; I81-I172 HydrophobicContact CG2-CG1 3.92Å; I81-I172 HydrophobicContact CG2-CG2 4.41Å; V82-I172 PolarHBondContact O-N 3.39Å; F83-I172 HydrophobicContact CB-CD1 4.37Å; F83-I172 HydrophobicContact CB-CG1 4.04Å; F83-I172 HydrophobicContact CD2-CG1 4.1Å; F83-I172 HydrophobicContact CG-CG1 4.45Å; L84-I172 PolarHBondContact N-O 3.19Å; F94-I172 HydrophobicContact CE1-CD1 3.87Å; F94-I172 HydrophobicContact CZ-CD1 4.17Å; L98-I172 HydrophobicContact CD1-CD1 4.04Å; L98-I172 HydrophobicContact CD2-CD1 4.38Å; I172-A280 HydrophobicContact CG2-CB 4.33Å; I172-F281 WeakPolarHBondContact CA-O 3.49Å; I172-F281 HydrophobicContact CB-CD1 4.18Å; I172-F281 WeakPolarHBondContact CB-O 3.34Å; I172-F281 HydrophobicContact CG2-CB 3.81Å; I172-F281 HydrophobicContact CG2-CD1 4.19Å; I172-F295 HydrophobicContact CD1-CE2 3.95Å; I172-F299 HydrophobicContact CG2-CE2 3.93Å; I172-F299 HydrophobicContact CG2-CZ 3.65Å
173	T	98.9	Very high	90.2	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	170.2	177.8	-168.4	0	0	0	0	112.2	L84 L245 L276 M279 F281 F282 G283	L84-T173 PolarHBondContact O-OG1 3.14Å; T173-L245 HydrophobicContact CG2-CD2 4.22Å; T173-L276 HydrophobicContact CG2-CD1 3.63Å; T173-M279 HydrophobicContact CG2-CE 4.39Å; T173-M279 HydrophobicContact CG2-SD 3.65Å; T173-F281 PolarHBondContact N-O 3.13Å; T173-F282 HydrophobicContact CG2-CB 3.71Å; T173-F282 VanDerWaalsContact O-CA 3.31Å; T173-F282 WeakPolarHBondContact O-CA 3.49Å; T173-G283 PolarHBondContact O-N 3.25Å; T173-G283 VanDerWaalsContact O-N 3.09Å
174	L	98.8	Very high	92.3	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	140.6	162.1	-72.3	-167.6	0	0	0	110.5	T89 F94 G283 T291	T89-L174 WeakPolarHBondContact CB-O 3.45Å; T89-L174 WeakPolarHBondContact CG2-O 2.98Å; T89-L174 VanDerWaalsContact O-CB 3.29Å; T89-L174 WeakPolarHBondContact O-CB 3.41Å; T89-L174 VanDerWaalsContact O-CD1 3.28Å; T89-L174 WeakPolarHBondContact O-CD1 3.28Å; T89-L174 PolarHBondContact OG1-O 3.32Å; F94-L174 HydrophobicContact CB-CD1 3.41Å; F94-L174 VanDerWaalsContact CB-CD1 3.41Å; F94-L174 HydrophobicContact CB-CG 4.17Å; F94-L174 HydrophobicContact CD1-CD1 4.14Å; F94-L174 HydrophobicContact CD1-CD2 4.3Å; F94-L174 HydrophobicContact CD1-CG 3.93Å; F94-L174 HydrophobicContact CD2-CD1 4.47Å; F94-L174 HydrophobicContact CD2-CD2 4.46Å; F94-L174 HydrophobicContact CG-CD1 3.78Å; F94-L174 HydrophobicContact CG-CD2 4.25Å; F94-L174 HydrophobicContact CG-CG 4.03Å; L174-G283 WeakPolarHBondContact CA-O 3.36Å; L174-T291 HydrophobicContact CD2-CG2 4.02Å
175	L	98.9	Very high	94.1	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.005	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	169.4	170.1	-61.9	178.9	0	0	0	111.9	I86 Q241 L245 L276 G283 L284 T285 Y339 A342	I86-L175 HydrophobicContact CD1-CD2 3.87Å; L175-Q241 HydrophobicContact CD2-CB 3.97Å; L175-Q241 HydrophobicContact CD2-CG 3.98Å; L175-Q241 VanDerWaalsContact CD2-OE1 3.28Å; L175-L245 HydrophobicContact CD2-CD1 3.84Å; L175-L276 HydrophobicContact CD1-CD1 3.89Å; L175-L276 HydrophobicContact CD1-CD2 3.55Å; L175-L276 HydrophobicContact CD1-CG 4.38Å; L175-L276 HydrophobicContact CG-CD1 4.42Å; L175-G283 PolarHBondContact N-O 2.04Å; L175-L284 HydrophobicContact CB-CD2 3.86Å; L175-T285 PolarHBondContact O-N 3.47Å; L175-T285 PolarHBondContact O-OG1 3.31Å; L175-Y339 HydrophobicContact CB-CD2 4.34Å; L175-A342 HydrophobicContact CD1-CB 3.54Å
176	R	98.4	Very high	96.1	Very high	17 Å²	17	26.9 Å²	26.9	6%	0.064	13%	0.127	C	C	.	.			trans	-151.8	152.1	177.2	-171.8	174.9	-176.4	-173.1	-4.2	109.6	K88 T89 R181 S184 Q241 T285 E286 T313 Y339	K88-R176 WeakPolarHBondContact O-CD 3.32Å; K88-R176 PolarHBondContact O-NH1 2.93Å; T89-R176 HydrophobicContact CG2-CB 4.06Å; R176-R181 HydrophobicContact CB-CB 4.12Å; R176-R181 HydrophobicContact CB-CG 4.44Å; R176-R181 HydrophobicContact CG-CB 4.23Å; R176-S184 VanDerWaalsContact NH1-CB 3.32Å; R176-S184 PolarHBondContact NH1-OG 2.83Å; R176-Q241 PolarHBondContact O-NE2 3.49Å; R176-Q241 PolarHBondContact O-OE1 3.41Å; R176-Q241 VanDerWaalsContact O-OE1 3.12Å; R176-T285 HydrophobicContact CG-CG2 4.26Å; R176-E286 WeakPolarHBondContact CG-OE1 3.38Å; R176-T313 PolarHBondContact NH2-OG1 3.34Å; R176-T313 VanDerWaalsContact NH2-OG1 3.12Å; R176-Y339 WeakPolarHBondContact O-CD2 3.39Å
177	D	98.1	Very high	97.4	Very high	40 Å²	40	21.7 Å²	21.7	21%	0.214	10%	0.1	C	C	.	.			trans	-42.3	122.8	165.7	163.6	-121.5	0	0	0	110.9	V179 S180 R181 E286 Y339	D177-V179 PolarHBondContact O-N 3.17Å; D177-S180 PolarHBondContact O-N 3.09Å; D177-S180 WeakPolarHBondContact OD1-CB 3.42Å; D177-S180 PolarHBondContact OD1-N 3.46Å; D177-S180 PolarHBondContact OD1-OG 3.23Å; D177-R181 VanDerWaalsContact O-CB 3.25Å; D177-R181 WeakPolarHBondContact O-CB 3.45Å; D177-R181 PolarHBondContact O-N 3.25Å; D177-E286 WeakPolarHBondContact CB-OE1 3.32Å; D177-E286 PolarHBondContact N-OE1 2.96Å; D177-Y339 HydrophobicContact CB-CE1 3.97Å; D177-Y339 VanDerWaalsContact N-CE2 3.31Å; D177-Y339 VanDerWaalsContact N-CZ 3.33Å
178	P	98.6	Very high	97.8	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-57.9	-41.8	-172.9	-30	38	0	0	0	114	R181 Y182 N332 D335 M336 Y339	P178-R181 PolarHBondContact O-N 3.4Å; P178-Y182 WeakPolarHBondContact O-CB 3.46Å; P178-Y182 PolarHBondContact O-N 3.02Å; P178-N332 HydrophobicContact CB-CB 4.11Å; P178-D335 HydrophobicContact CB-CB 3.94Å; P178-D335 VanDerWaalsContact CG-C 3.44Å; P178-D335 HydrophobicContact CG-CB 3.87Å; P178-D335 VanDerWaalsContact CG-O 3.27Å; P178-D335 WeakPolarHBondContact CG-O 3.3Å; P178-M336 HydrophobicContact CB-CG 4.36Å; P178-M336 HydrophobicContact CB-SD 3.7Å; P178-M336 HydrophobicContact CG-CG 4.28Å; P178-M336 HydrophobicContact CG-SD 3.61Å; P178-Y339 HydrophobicContact CG-CG 4.42Å
179	V	97.9	Very high	98	Very high	15 Å²	15	18.8 Å²	18.8	9%	0.091	9%	0.089	C	C	.	.	H	α-helix	trans	-62.4	-52.6	178.6	-179.7	0	0	0	0	109.8	D177 R181 Y182 L183 I328 E329 M336	D177-V179 PolarHBondContact O-N 3.17Å; V179-R181 VanDerWaalsContact C-N 3.27Å; V179-R181 PolarHBondContact O-N 3.12Å; V179-Y182 PolarHBondContact O-N 3.43Å; V179-L183 HydrophobicContact CG1-CD1 3.84Å; V179-L183 WeakPolarHBondContact O-CB 3.45Å; V179-L183 WeakPolarHBondContact O-CG 3.49Å; V179-L183 PolarHBondContact O-N 3.09Å; V179-I328 HydrophobicContact CB-CG2 4.32Å; V179-I328 HydrophobicContact CG1-CG2 4.19Å; V179-I328 HydrophobicContact CG2-CG2 4.16Å; V179-E329 HydrophobicContact CG2-CG 3.62Å; V179-M336 HydrophobicContact CG2-SD 4.39Å
180	S	97.1	Very high	98	Very high	35 Å²	35	18.6 Å²	18.6	25%	0.245	9%	0.089	C	C	.	.	H	α-helix	trans	-58.7	-35.1	175.4	-67.2	0	0	0	0	113.7	D177 S184 A315	D177-S180 PolarHBondContact O-N 3.09Å; D177-S180 WeakPolarHBondContact OD1-CB 3.42Å; D177-S180 PolarHBondContact OD1-N 3.46Å; D177-S180 PolarHBondContact OD1-OG 3.23Å; S180-S184 WeakPolarHBondContact O-CB 3.1Å; S180-S184 PolarHBondContact O-N 2.93Å; S180-A315 VanDerWaalsContact O-CB 3.26Å; S180-A315 WeakPolarHBondContact O-CB 3.15Å
181	R	98.4	Very high	97.8	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-71.7	-47.5	177.9	-172.6	-150.5	63.1	66.2	6.9	111	K88 T89 R176 D177 P178 V179 S184 E185 A237 N332 D335	K88-R181 HydrophobicContact CB-CG 4.22Å; T89-R181 HydrophobicContact CG2-CG 4.21Å; R176-R181 HydrophobicContact CB-CB 4.12Å; R176-R181 HydrophobicContact CB-CG 4.44Å; R176-R181 HydrophobicContact CG-CB 4.23Å; D177-R181 VanDerWaalsContact O-CB 3.25Å; D177-R181 WeakPolarHBondContact O-CB 3.45Å; D177-R181 PolarHBondContact O-N 3.25Å; P178-R181 PolarHBondContact O-N 3.4Å; V179-R181 VanDerWaalsContact C-N 3.27Å; V179-R181 PolarHBondContact O-N 3.12Å; R181-S184 CarbonylContact O-C 3.6Å; R181-S184 WeakPolarHBondContact O-CB 3.42Å; R181-S184 PolarHBondContact O-N 3.35Å; R181-E185 IonicContact CZ-OE2 3.66Å; R181-E185 IonicContact NH1-OE2 3.47Å; R181-E185 PolarHBondContact NH1-OE2 3Å; R181-E185 PolarHBondContact O-N 2.91Å; R181-A237 PolarHBondContact NH2-O 3.14Å; R181-N332 PolarHBondContact NH2-OD1 2.86Å; R181-D335 IonicContact NE-OD2 2.78Å; R181-D335 PolarHBondContact NE-OD2 2.99Å
182	Y	98.6	Very high	97.7	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-61.7	-50.3	-179.7	-168.9	-93.1	0	0	0	111.4	P178 V179 S184 E185 W186 F229 M230 A237 N238 I328 N332	P178-Y182 WeakPolarHBondContact O-CB 3.46Å; P178-Y182 PolarHBondContact O-N 3.02Å; V179-Y182 PolarHBondContact O-N 3.43Å; Y182-S184 VanDerWaalsContact C-N 3.28Å; Y182-S184 PolarHBondContact O-N 3.37Å; Y182-E185 WeakPolarHBondContact O-CA 3.45Å; Y182-E185 VanDerWaalsContact O-CB 3.32Å; Y182-E185 WeakPolarHBondContact O-CB 3.41Å; Y182-E185 PolarHBondContact O-N 3.03Å; Y182-W186 PolarHBondContact O-N 2.78Å; Y182-F229 HydrophobicContact CD1-CD1 4.36Å; Y182-F229 HydrophobicContact CD1-CE1 4.14Å; Y182-F229 HydrophobicContact CD2-CE1 4.42Å; Y182-F229 AromaticContact CE1-CD1 3.56Å; Y182-F229 HydrophobicContact CE1-CD1 3.56Å; Y182-F229 AromaticContact CE1-CE1 3.65Å; Y182-F229 HydrophobicContact CE1-CE1 3.65Å; Y182-F229 HydrophobicContact CE2-CD1 4.49Å; Y182-F229 AromaticContact CE2-CE1 3.96Å; Y182-F229 HydrophobicContact CE2-CE1 3.96Å; Y182-F229 AromaticContact CZ-CD1 3.64Å; Y182-F229 AromaticContact CZ-CE1 3.55Å; Y182-F229 PolarHBondContact OH-O 3.46Å; Y182-M230 HydrophobicContact CE1-CG 4.04Å; Y182-A237 HydrophobicContact CD2-CB 3.87Å; Y182-A237 HydrophobicContact CE2-CB 3.58Å; Y182-N238 WeakPolarHBondContact CE2-OD1 3.29Å; Y182-N238 PolarHBondContact OH-OD1 2.96Å; Y182-N238 VanDerWaalsContact OH-OD1 3.06Å; Y182-I328 HydrophobicContact CD1-CD1 4.48Å; Y182-I328 HydrophobicContact CD1-CG1 4.19Å; Y182-I328 HydrophobicContact CD1-CG2 3.71Å; Y182-I328 HydrophobicContact CE1-CG1 4.32Å; Y182-I328 HydrophobicContact CE1-CG2 4.42Å; Y182-I328 HydrophobicContact CG-CG2 3.92Å; Y182-N332 WeakPolarHBondContact CD2-ND2 3.39Å; Y182-N332 WeakPolarHBondContact CD2-OD1 3.08Å
183	L	97.9	Very high	97.5	Very high	8 Å²	8	24 Å²	24	4%	0.042	12%	0.121	C	C	.	.	H	α-helix	trans	-60.3	-37.7	174.4	-68.2	167.7	0	0	0	112.2	V179 E185 W186 R187 L226 A315 L320 I328	V179-L183 HydrophobicContact CG1-CD1 3.84Å; V179-L183 WeakPolarHBondContact O-CB 3.45Å; V179-L183 WeakPolarHBondContact O-CG 3.49Å; V179-L183 PolarHBondContact O-N 3.09Å; L183-E185 VanDerWaalsContact C-N 3.25Å; L183-E185 PolarHBondContact O-N 2.84Å; L183-W186 HydrophobicContact CD2-CE3 4.21Å; L183-R187 WeakPolarHBondContact O-CB 3.27Å; L183-R187 VanDerWaalsContact O-CG 3.3Å; L183-R187 WeakPolarHBondContact O-CG 3.5Å; L183-R187 PolarHBondContact O-N 2.95Å; L183-L226 HydrophobicContact CD2-CD1 4.07Å; L183-L226 HydrophobicContact CD2-CD2 3.99Å; L183-A315 HydrophobicContact CB-CB 4.06Å; L183-L320 HydrophobicContact CD1-CD1 3.48Å; L183-L320 VanDerWaalsContact CD1-CD1 3.48Å; L183-L320 HydrophobicContact CD2-CD1 3.78Å; L183-L320 HydrophobicContact CG-CD1 4.23Å; L183-I328 HydrophobicContact CD2-CD1 3.72Å; L183-I328 HydrophobicContact CG-CD1 4.14Å
184	S	97.1	Very high	97.3	Very high	15 Å²	15	26 Å²	26	11%	0.105	13%	0.133	C	C	.	.	H	α-helix	trans	-67.9	-26.7	174.6	-165	0	0	0	0	112.8	K88 R176 S180 R181 Y182 H188	K88-S184 WeakPolarHBondContact CE-O 3.3Å; K88-S184 WeakPolarHBondContact CE-OG 3.22Å; R176-S184 VanDerWaalsContact NH1-CB 3.32Å; R176-S184 PolarHBondContact NH1-OG 2.83Å; S180-S184 WeakPolarHBondContact O-CB 3.1Å; S180-S184 PolarHBondContact O-N 2.93Å; R181-S184 CarbonylContact O-C 3.6Å; R181-S184 WeakPolarHBondContact O-CB 3.42Å; R181-S184 PolarHBondContact O-N 3.35Å; Y182-S184 VanDerWaalsContact C-N 3.28Å; Y182-S184 PolarHBondContact O-N 3.37Å; S184-H188 PolarHBondContact O-N 2.88Å
185	E	98.4	Very high	97.2	Very high	3 Å²	3	27.6 Å²	27.6	1%	0.014	14%	0.139	C	C	.	.	H	α-helix	trans	-75.9	-53.2	174.6	-166.5	165	154.8	0	0	110.9	K88 R181 Y182 L183 R187 H188 V189 W195 F229 A237 R240	K88-E185 HydrophobicContact CG-CB 3.78Å; K88-E185 HydrophobicContact CG-CG 4.21Å; R181-E185 IonicContact CZ-OE2 3.66Å; R181-E185 IonicContact NH1-OE2 3.47Å; R181-E185 PolarHBondContact NH1-OE2 3Å; R181-E185 PolarHBondContact O-N 2.91Å; Y182-E185 WeakPolarHBondContact O-CA 3.45Å; Y182-E185 VanDerWaalsContact O-CB 3.32Å; Y182-E185 WeakPolarHBondContact O-CB 3.41Å; Y182-E185 PolarHBondContact O-N 3.03Å; L183-E185 VanDerWaalsContact C-N 3.25Å; L183-E185 PolarHBondContact O-N 2.84Å; E185-R187 VanDerWaalsContact C-N 3.33Å; E185-R187 PolarHBondContact O-N 3.45Å; E185-H188 CarbonylContact O-C 3.58Å; E185-H188 WeakPolarHBondContact O-CA 3.45Å; E185-H188 VanDerWaalsContact O-CB 3.26Å; E185-H188 WeakPolarHBondContact O-CB 3.28Å; E185-H188 PolarHBondContact O-N 2.86Å; E185-V189 HydrophobicContact CG-CG2 4.2Å; E185-V189 WeakPolarHBondContact O-CG2 3.44Å; E185-V189 PolarHBondContact O-N 2.96Å; E185-W195 HydrophobicContact CG-CH2 3.87Å; E185-W195 HydrophobicContact CG-CZ3 3.83Å; E185-F229 HydrophobicContact CB-CZ 4.44Å; E185-F229 HydrophobicContact CG-CZ 4.24Å; E185-A237 HydrophobicContact CG-CB 4.3Å; E185-A237 WeakPolarHBondContact OE1-CB 3.41Å; E185-R240 VanDerWaalsContact CD-NE 3.32Å; E185-R240 IonicContact OE1-CZ 2.7Å; E185-R240 VanDerWaalsContact OE1-CZ 3.26Å; E185-R240 IonicContact OE1-NE 2.86Å; E185-R240 PolarHBondContact OE1-NE 3.16Å; E185-R240 IonicContact OE1-NH2 3.24Å; E185-R240 PolarHBondContact OE1-NH2 3.09Å; E185-R240 WeakPolarHBondContact OE2-CD 3.5Å; E185-R240 IonicContact OE2-CZ 3.97Å; E185-R240 IonicContact OE2-NE 3.72Å; E185-R240 PolarHBondContact OE2-NE 2.81Å; E185-R240 IonicContact OE2-NH2 3.9Å
186	W	97.9	Very high	97	Very high	14 Å²	14	33.5 Å²	33.5	5%	0.053	17%	0.165	C	C	.	.	H	α-helix	trans	-48.5	-52.8	172	165.9	54.7	0	0	0	111.7	Y182 L183 H188 V189 Q190 C224 T225 L226 F229 V318	Y182-W186 PolarHBondContact O-N 2.78Å; L183-W186 HydrophobicContact CD2-CE3 4.21Å; W186-H188 PolarHBondContact O-N 3.12Å; W186-V189 PolarHBondContact O-N 2.7Å; W186-V189 VanDerWaalsContact O-N 3.12Å; W186-Q190 VanDerWaalsContact CZ2-NE2 3.31Å; W186-Q190 VanDerWaalsContact O-CB 3.23Å; W186-Q190 WeakPolarHBondContact O-CB 3.34Å; W186-Q190 PolarHBondContact O-N 3.01Å; W186-C224 PolarHBondContact NE1-O 3.19Å; W186-T225 PolarHBondContact NE1-O 3.47Å; W186-L226 HydrophobicContact CB-CD1 4.4Å; W186-L226 HydrophobicContact CD2-CB 4.06Å; W186-L226 HydrophobicContact CD2-CD1 3.85Å; W186-L226 HydrophobicContact CD2-CG 4.49Å; W186-L226 HydrophobicContact CE3-CB 4.22Å; W186-L226 HydrophobicContact CE3-CD1 3.87Å; W186-L226 HydrophobicContact CE3-CD2 4.46Å; W186-L226 HydrophobicContact CE3-CG 4.41Å; W186-L226 HydrophobicContact CG-CD1 4.05Å; W186-L226 HydrophobicContact CH2-CB 3.86Å; W186-L226 HydrophobicContact CZ2-CB 3.7Å; W186-L226 HydrophobicContact CZ3-CB 4.11Å; W186-L226 HydrophobicContact CZ3-CD1 4.43Å; W186-L226 HydrophobicContact CZ3-CD2 4.24Å; W186-F229 HydrophobicContact CB-CD1 3.68Å; W186-F229 HydrophobicContact CB-CD2 4.38Å; W186-F229 HydrophobicContact CB-CE1 3.77Å; W186-F229 HydrophobicContact CB-CE2 4.48Å; W186-F229 HydrophobicContact CB-CG 3.98Å; W186-F229 HydrophobicContact CB-CZ 4.16Å; W186-F229 AromaticContact CD1-CG 3.8Å; W186-F229 HydrophobicContact CG-CB 4.35Å; W186-F229 HydrophobicContact CG-CD1 4.27Å; W186-F229 HydrophobicContact CG-CG 4.19Å; W186-V318 HydrophobicContact CZ3-CG1 4.05Å; W186-V318 HydrophobicContact CZ3-CG2 4.37Å
187	R	96.6	Very high	96.9	Very high	62 Å²	62	37.5 Å²	37.5	23%	0.234	19%	0.191	C	C	.	.	H	α-helix	trans	-64.8	-7.1	178.2	-69.8	-58.7	-157.6	-177.5	-2.6	114.7	L183 E185 R191 V318	L183-R187 WeakPolarHBondContact O-CB 3.27Å; L183-R187 VanDerWaalsContact O-CG 3.3Å; L183-R187 WeakPolarHBondContact O-CG 3.5Å; L183-R187 PolarHBondContact O-N 2.95Å; E185-R187 VanDerWaalsContact C-N 3.33Å; E185-R187 PolarHBondContact O-N 3.45Å; R187-R191 PolarHBondContact O-NE 3.32Å; R187-V318 HydrophobicContact CG-CG2 4.43Å
188	H	96.4	Very high	96.8	Very high	62 Å²	62	36.4 Å²	36.4	29%	0.287	19%	0.187	S	C	.	.	H	α-helix	trans	-98.9	-42.6	172.2	-160.5	-145.4	0	0	0	111.1	K88 S184 E185 W186 R191 A193 W195	K88-H188 HydrophobicContact CD-CB 4.28Å; K88-H188 PolarHBondContact NZ-ND1 3.41Å; S184-H188 PolarHBondContact O-N 2.88Å; E185-H188 CarbonylContact O-C 3.58Å; E185-H188 WeakPolarHBondContact O-CA 3.45Å; E185-H188 VanDerWaalsContact O-CB 3.26Å; E185-H188 WeakPolarHBondContact O-CB 3.28Å; E185-H188 PolarHBondContact O-N 2.86Å; W186-H188 PolarHBondContact O-N 3.12Å; H188-R191 CarbonylContact O-C 3.5Å; H188-R191 WeakPolarHBondContact O-CA 3.39Å; H188-R191 PolarHBondContact O-N 3.14Å; H188-A193 HydrophobicContact CB-CB 4.15Å; H188-A193 VanDerWaalsContact ND1-CB 3.33Å; H188-A193 WeakPolarHBondContact ND1-CB 3.47Å; H188-A193 VanDerWaalsContact O-CB 3.27Å; H188-A193 WeakPolarHBondContact O-CB 3.4Å; H188-A193 PolarHBondContact O-N 3.35Å; H188-W195 HydrophobicContact CB-CH2 4.45Å; H188-W195 AromaticContact CE1-CZ2 3.75Å; H188-W195 AromaticContact ND1-CH2 3.39Å; H188-W195 WeakPolarHBondContact ND1-CH2 3.31Å; H188-W195 AromaticContact ND1-CZ2 3.19Å; H188-W195 WeakPolarHBondContact ND1-CZ2 3.35Å
189	V	97.2	Very high	96.8	Very high	9 Å²	9	40.2 Å²	40.2	6%	0.055	21%	0.207	C	C	.	.	H	α-helix	trans	-63.2	-44.5	176.7	173.7	0	0	0	0	111	E185 W186 R191 G192 A193 W195 W221 F229	E185-V189 HydrophobicContact CG-CG2 4.2Å; E185-V189 WeakPolarHBondContact O-CG2 3.44Å; E185-V189 PolarHBondContact O-N 2.96Å; W186-V189 PolarHBondContact O-N 2.7Å; W186-V189 VanDerWaalsContact O-N 3.12Å; V189-R191 PolarHBondContact O-N 2.86Å; V189-G192 PolarHBondContact O-N 2.93Å; V189-A193 WeakPolarHBondContact CA-O 3.31Å; V189-A193 WeakPolarHBondContact CG2-O 3.3Å; V189-W195 HydrophobicContact CG2-CZ3 3.86Å; V189-W221 HydrophobicContact CG1-CB 3.74Å; V189-W221 HydrophobicContact CG1-CD2 4.22Å; V189-W221 HydrophobicContact CG1-CE3 3.73Å; V189-W221 HydrophobicContact CG1-CG 4.27Å; V189-F229 HydrophobicContact CB-CE2 3.95Å; V189-F229 HydrophobicContact CG1-CD2 4.3Å; V189-F229 HydrophobicContact CG1-CE2 3.96Å; V189-F229 HydrophobicContact CG2-CE2 3.9Å; V189-F229 HydrophobicContact CG2-CZ 4.41Å
190	Q	96.4	Very high	96.8	Very high	42 Å²	42	40.8 Å²	40.8	20%	0.196	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-16.4	170.2	179.6	173.8	74.7	0	0	113.9	W186 G223 C224	W186-Q190 VanDerWaalsContact CZ2-NE2 3.31Å; W186-Q190 VanDerWaalsContact O-CB 3.23Å; W186-Q190 WeakPolarHBondContact O-CB 3.34Å; W186-Q190 PolarHBondContact O-N 3.01Å; Q190-G223 PolarHBondContact O-N 3.03Å; Q190-C224 PolarHBondContact NE2-O 3.43Å
191	R	95.4	Very high	96.8	Very high	138 Å²	138	42.3 Å²	42.3	52%	0.521	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.9	24.4	177.6	-51.8	-179.5	-146.2	-114.4	-8.4	112.7	R187 H188 V189	R187-R191 PolarHBondContact O-NE 3.32Å; H188-R191 CarbonylContact O-C 3.5Å; H188-R191 WeakPolarHBondContact O-CA 3.39Å; H188-R191 PolarHBondContact O-N 3.14Å; V189-R191 PolarHBondContact O-N 2.86Å
192	G	95.3	Very high	96.8	Very high	28 Å²	28	42.5 Å²	42.5	29%	0.289	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.8	7.9	173.9	0	0	0	0	0	116.1	V189 T194 S222	V189-G192 PolarHBondContact O-N 2.93Å; G192-T194 PolarHBondContact O-N 3.47Å; G192-S222 VanDerWaalsContact CA-OG 3.23Å; G192-S222 WeakPolarHBondContact CA-OG 3.41Å; G192-S222 PolarHBondContact N-OG 3.05Å
193	A	95.9	Very high	96.7	Very high	16 Å²	16	47.7 Å²	47.7	13%	0.132	24%	0.241	C	C	.	.			trans	-76.3	120.2	174.2	0	0	0	0	0	111.2	H188 V189 W195	H188-A193 HydrophobicContact CB-CB 4.15Å; H188-A193 VanDerWaalsContact ND1-CB 3.33Å; H188-A193 WeakPolarHBondContact ND1-CB 3.47Å; H188-A193 VanDerWaalsContact O-CB 3.27Å; H188-A193 WeakPolarHBondContact O-CB 3.4Å; H188-A193 PolarHBondContact O-N 3.35Å; V189-A193 WeakPolarHBondContact CA-O 3.31Å; V189-A193 WeakPolarHBondContact CG2-O 3.3Å; A193-W195 HydrophobicContact CB-CH2 4.26Å; A193-W195 HydrophobicContact CB-CZ2 4.41Å; A193-W195 HydrophobicContact CB-CZ3 4.4Å
194	T	95.2	Very high	96.6	Very high	40 Å²	40	50.8 Å²	50.8	25%	0.245	28%	0.275	C	S	.	.			trans	-115.8	-34	178.2	55.3	0	0	0	0	113.6	G192 K196 Y216 D220	G192-T194 PolarHBondContact O-N 3.47Å; T194-K196 PolarHBondContact O-N 2.86Å; T194-K196 WeakPolarHBondContact OG1-CG 3.32Å; T194-K196 PolarHBondContact OG1-N 2.85Å; T194-Y216 WeakPolarHBondContact CB-OH 3.38Å; T194-Y216 HydrophobicContact CG2-CE1 4.3Å; T194-Y216 HydrophobicContact CG2-CE2 4.18Å; T194-Y216 WeakPolarHBondContact CG2-OH 3.49Å; T194-D220 VanDerWaalsContact CG2-CA 3.46Å; T194-D220 HydrophobicContact CG2-CB 3.34Å
195	W	96.3	Very high	96.6	Very high	35 Å²	35	55 Å²	55	13%	0.133	29%	0.289	C	S	.	.			trans	53	24.5	-165.2	-54	-83	0	0	0	114.5	Q87 K88 L141 H142 E185 H188 V189 A193 T197 S198	Q87-W195 HydrophobicContact CB-CH2 4.2Å; Q87-W195 HydrophobicContact CB-CZ2 3.98Å; Q87-W195 HydrophobicContact CG-CD2 3.84Å; Q87-W195 VanDerWaalsContact CG-CE2 3.45Å; Q87-W195 HydrophobicContact CG-CE3 4.25Å; Q87-W195 HydrophobicContact CG-CG 4.36Å; Q87-W195 HydrophobicContact CG-CH2 4.01Å; Q87-W195 HydrophobicContact CG-CZ2 3.54Å; Q87-W195 HydrophobicContact CG-CZ3 4.33Å; K88-W195 HydrophobicContact CD-CH2 4.06Å; K88-W195 HydrophobicContact CD-CZ2 4.13Å; L141-W195 HydrophobicContact CD2-CB 3.99Å; L141-W195 HydrophobicContact CD2-CG 4.47Å; H142-W195 AromaticContact CD2-CD1 3.37Å; H142-W195 AromaticContact CD2-NE1 3.46Å; H142-W195 PolarHBondContact CD2-NE1 3.33Å; H142-W195 AromaticContact NE2-CD1 3.76Å; H142-W195 AromaticContact NE2-NE1 3.33Å; H142-W195 PolarHBondContact NE2-NE1 3.46Å; E185-W195 HydrophobicContact CG-CH2 3.87Å; E185-W195 HydrophobicContact CG-CZ3 3.83Å; H188-W195 HydrophobicContact CB-CH2 4.45Å; H188-W195 AromaticContact CE1-CZ2 3.75Å; H188-W195 AromaticContact ND1-CH2 3.39Å; H188-W195 WeakPolarHBondContact ND1-CH2 3.31Å; H188-W195 AromaticContact ND1-CZ2 3.19Å; H188-W195 WeakPolarHBondContact ND1-CZ2 3.35Å; V189-W195 HydrophobicContact CG2-CZ3 3.86Å; A193-W195 HydrophobicContact CB-CH2 4.26Å; A193-W195 HydrophobicContact CB-CZ2 4.41Å; A193-W195 HydrophobicContact CB-CZ3 4.4Å; W195-T197 PolarHBondContact O-N 3.41Å; W195-S198 WeakPolarHBondContact O-CB 3.14Å; W195-S198 PolarHBondContact O-N 3.18Å; W195-S198 PolarHBondContact O-OG 3.37Å
196	K	93.9	Very high	96.5	Very high	125 Å²	125	58.3 Å²	58.3	54%	0.543	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-4.8	-174.8	69.9	-174.3	-178.4	-179.3	0	116.8	T194 S219	T194-K196 PolarHBondContact O-N 2.86Å; T194-K196 WeakPolarHBondContact OG1-CG 3.32Å; T194-K196 PolarHBondContact OG1-N 2.85Å; K196-S219 PolarHBondContact NZ-O 3.2Å
197	T	95.8	Very high	96.5	Very high	101 Å²	101	58.8 Å²	58.8	62%	0.62	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.8	21.2	172.5	71.7	0	0	0	0	112.1	L141 W195	L141-T197 VanDerWaalsContact CD2-OG1 3.28Å; L141-T197 WeakPolarHBondContact CD2-OG1 3.31Å; W195-T197 PolarHBondContact O-N 3.41Å
198	S	97.4	Very high	96.5	Very high	17 Å²	17	58.5 Å²	58.5	12%	0.119	32%	0.319	C	S	.	.			trans	-76	139.5	168.1	-52.7	0	0	0	0	107.8	L141 W195	L141-S198 WeakPolarHBondContact O-CB 3.05Å; L141-S198 PolarHBondContact O-OG 3.1Å; W195-S198 WeakPolarHBondContact O-CB 3.14Å; W195-S198 PolarHBondContact O-N 3.18Å; W195-S198 PolarHBondContact O-OG 3.37Å
199	L	97.3	Very high	96.4	Very high	79 Å²	79	60.1 Å²	60.1	41%	0.414	34%	0.335	S	S	.	.			trans	-82.4	-35.6	-172.4	-60.4	177.2	0	0	0	111.4	E147 M201 T206	E147-L199 WeakPolarHBondContact OE1-CB 3.05Å; L199-M201 HydrophobicContact CB-CB 4.39Å; L199-M201 PolarHBondContact O-N 2.8Å; L199-T206 VanDerWaalsContact O-CG2 3.24Å; L199-T206 WeakPolarHBondContact O-CG2 3.26Å
200	H	97.9	Very high	96.2	Very high	27 Å²	27	66.9 Å²	66.9	13%	0.125	37%	0.366	C	S	.	.			trans	56.6	39.7	-174.5	-63.3	-47.5	0	0	0	110.9	E147 C202 P207 L212 Y254	E147-H200 WeakPolarHBondContact OE1-CA 3.16Å; E147-H200 PolarHBondContact OE1-N 2.93Å; H200-C202 PolarHBondContact O-N 3.43Å; H200-P207 HydrophobicContact CB-CG 3.77Å; H200-P207 VanDerWaalsContact O-CD 3.24Å; H200-P207 WeakPolarHBondContact O-CD 3.26Å; H200-L212 HydrophobicContact CB-CD1 4.41Å; H200-Y254 HydrophobicContact CB-CE2 3.74Å; H200-Y254 WeakPolarHBondContact CB-OH 3.21Å; H200-Y254 PolarHBondContact ND1-OH 2.83Å; H200-Y254 VanDerWaalsContact O-CE2 3.3Å; H200-Y254 WeakPolarHBondContact O-CE2 3.3Å
201	M	97.8	Very high	96.2	Very high	67 Å²	67	66.7 Å²	66.7	33%	0.33	37%	0.366	S	S	.	.			trans	-69.7	118.3	-174.1	-169.2	69.4	62.3	0	0	110.9	E147 L199 G204 R205 T206	E147-M201 HydrophobicContact CG-CB 4.05Å; E147-M201 WeakPolarHBondContact CG-O 3.39Å; E147-M201 PolarHBondContact OE1-N 2.83Å; L199-M201 HydrophobicContact CB-CB 4.39Å; L199-M201 PolarHBondContact O-N 2.8Å; M201-G204 VanDerWaalsContact SD-C 3.54Å; M201-R205 WeakPolarHBondContact CA-O 3.17Å; M201-R205 VanDerWaalsContact SD-CA 3.58Å; M201-R205 PolarHBondContact SD-N 3.01Å; M201-T206 HydrophobicContact CE-CG2 3.75Å; M201-T206 HydrophobicContact SD-CG2 4.42Å
202	C	98.1	Very high	96.2	Very high	4 Å²	4	62 Å²	62	3%	0.027	35%	0.35	C	S	.	.	B	Isolated β-bridge	trans	-143.9	139.3	177.4	-177.1	0	0	0	0	109.3	T146 H200 G204 R205 C253 Y254	T146-C202 HydrophobicContact CG2-CB 4.3Å; H200-C202 PolarHBondContact O-N 3.43Å; C202-G204 PolarHBondContact O-N 3.02Å; C202-G204 VanDerWaalsContact O-N 3.07Å; C202-R205 PolarHBondContact N-O 3Å; C202-R205 PolarHBondContact O-N 2.81Å; C202-C253 VanDerWaalsContact C-SG 3.51Å; C202-C253 HydrophobicContact CB-CB 3.61Å; C202-C253 WeakPolarHBondContact CB-SG 3.27Å; C202-C253 WeakPolarHBondContact SG-CA 3.36Å; C202-C253 WeakPolarHBondContact SG-CB 3.45Å; C202-C253 CovalentContact SG-SG 2.03Å; C202-C253 PolarHBondContact SG-SG 2.87Å; C202-Y254 HydrophobicContact CB-CE2 4.35Å
203	D	96.3	Very high	96.2	Very high	109 Å²	109	62.9 Å²	62.9	58%	0.583	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.3	37.6	-172.5	-61.6	-11.7	0	0	0	114.2	R205 S249 C253	D203-R205 VanDerWaalsContact C-N 3.34Å; D203-R205 PolarHBondContact O-N 3.47Å; D203-S249 WeakPolarHBondContact OD1-CB 3.47Å; D203-C253 PolarHBondContact OD2-SG 3.03Å; D203-C253 VanDerWaalsContact OD2-SG 3.38Å
204	G	95.5	Very high	96.2	Very high	73 Å²	73	65.1 Å²	65.1	75%	0.753	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.8	6.2	176.8	0	0	0	0	0	116.1	M201 C202	M201-G204 VanDerWaalsContact SD-C 3.54Å; C202-G204 PolarHBondContact O-N 3.02Å; C202-G204 VanDerWaalsContact O-N 3.07Å
205	R	97	Very high	96.3	Very high	105 Å²	105	64.4 Å²	64.4	40%	0.396	36%	0.362	S	S	.	.	B	Isolated β-bridge	trans	-133.8	162.4	176.8	66.5	178.1	-172.7	88.4	-5.7	113.1	M201 C202 D203 E211	M201-R205 WeakPolarHBondContact CA-O 3.17Å; M201-R205 VanDerWaalsContact SD-CA 3.58Å; M201-R205 PolarHBondContact SD-N 3.01Å; C202-R205 PolarHBondContact N-O 3Å; C202-R205 PolarHBondContact O-N 2.81Å; D203-R205 VanDerWaalsContact C-N 3.34Å; D203-R205 PolarHBondContact O-N 3.47Å; R205-E211 IonicContact CZ-OE1 2.83Å; R205-E211 IonicContact CZ-OE2 3.29Å; R205-E211 IonicContact NH1-OE1 3.54Å; R205-E211 IonicContact NH1-OE2 2.85Å; R205-E211 PolarHBondContact NH1-OE2 2.86Å; R205-E211 IonicContact NH2-OE1 2.83Å; R205-E211 PolarHBondContact NH2-OE1 3.03Å; R205-E211 IonicContact NH2-OE2 3.59Å; R205-E211 PolarHBondContact NH2-OE2 3.3Å
206	T	97.4	Very high	96.2	Very high	71 Å²	71	65 Å²	65	44%	0.436	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-84	155.1	166.2	59.6	0	0	0	0	109.9	L199 M201	L199-T206 VanDerWaalsContact O-CG2 3.24Å; L199-T206 WeakPolarHBondContact O-CG2 3.26Å; M201-T206 HydrophobicContact CE-CG2 3.75Å; M201-T206 HydrophobicContact SD-CG2 4.42Å
207	P	97.3	Very high	96.1	Very high	24 Å²	24	68 Å²	68	16%	0.156	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-67.2	155.3	172.1	28.6	-35.9	0	0	0	111.5	H200 E211 L212 Y254	H200-P207 HydrophobicContact CB-CG 3.77Å; H200-P207 VanDerWaalsContact O-CD 3.24Å; H200-P207 WeakPolarHBondContact O-CD 3.26Å; P207-E211 VanDerWaalsContact CA-OE2 3.29Å; P207-E211 WeakPolarHBondContact CA-OE2 3.45Å; P207-E211 HydrophobicContact CB-CB 4.08Å; P207-L212 HydrophobicContact CB-CB 4.06Å; P207-L212 HydrophobicContact CG-CB 4.12Å; P207-L212 HydrophobicContact CG-CD1 3.83Å; P207-Y254 HydrophobicContact CB-CD2 3.86Å; P207-Y254 HydrophobicContact CB-CG 4.02Å; P207-Y254 HydrophobicContact CG-CD2 3.98Å; P207-Y254 HydrophobicContact CG-CE2 4.35Å; P207-Y254 HydrophobicContact CG-CG 4.34Å
208	T	95.9	Very high	95.9	Very high	56 Å²	56	66.8 Å²	66.8	34%	0.344	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-83.2	164.2	169.7	79.1	0	0	0	0	111.2	E210 E211 L212	T208-E210 WeakPolarHBondContact CB-OE2 3.42Å; T208-E210 PolarHBondContact O-N 3.47Å; T208-E210 PolarHBondContact OG1-N 3.15Å; T208-E210 PolarHBondContact OG1-OE2 3.34Å; T208-E211 PolarHBondContact N-OE2 2.95Å; T208-E211 PolarHBondContact O-N 2.89Å; T208-E211 VanDerWaalsContact O-N 3.1Å; T208-E211 PolarHBondContact OG1-N 3.3Å; T208-L212 PolarHBondContact O-N 3Å
209	P	94.3	Very high	95.6	Very high	97 Å²	97	69.6 Å²	69.6	63%	0.63	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-24.1	174.8	-24.4	36.1	0	0	0	114.1	L212 P213	P209-L212 CarbonylContact O-C 3.55Å; P209-L212 VanDerWaalsContact O-C 3.31Å; P209-P213 VanDerWaalsContact O-CA 3.31Å; P209-P213 WeakPolarHBondContact O-CA 3.42Å; P209-P213 WeakPolarHBondContact O-CG 3.23Å
210	E	94.3	Very high	95.5	Very high	150 Å²	150	68.1 Å²	68.1	70%	0.701	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-35.4	175	-55	72.9	-156.7	0	0	111.9	T208	T208-E210 WeakPolarHBondContact CB-OE2 3.42Å; T208-E210 PolarHBondContact O-N 3.47Å; T208-E210 PolarHBondContact OG1-N 3.15Å; T208-E210 PolarHBondContact OG1-OE2 3.34Å
211	E	95.7	Very high	95.4	Very high	39 Å²	39	68.4 Å²	68.4	18%	0.182	40%	0.401	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-27.9	174	-66.1	178.5	131	0	0	112.5	R205 P207 T208	R205-E211 IonicContact CZ-OE1 2.83Å; R205-E211 IonicContact CZ-OE2 3.29Å; R205-E211 IonicContact NH1-OE1 3.54Å; R205-E211 IonicContact NH1-OE2 2.85Å; R205-E211 PolarHBondContact NH1-OE2 2.86Å; R205-E211 IonicContact NH2-OE1 2.83Å; R205-E211 PolarHBondContact NH2-OE1 3.03Å; R205-E211 IonicContact NH2-OE2 3.59Å; R205-E211 PolarHBondContact NH2-OE2 3.3Å; P207-E211 VanDerWaalsContact CA-OE2 3.29Å; P207-E211 WeakPolarHBondContact CA-OE2 3.45Å; P207-E211 HydrophobicContact CB-CB 4.08Å; T208-E211 PolarHBondContact N-OE2 2.95Å; T208-E211 PolarHBondContact O-N 2.89Å; T208-E211 VanDerWaalsContact O-N 3.1Å; T208-E211 PolarHBondContact OG1-N 3.3Å
212	L	95.9	Very high	95.3	Very high	39 Å²	39	68.3 Å²	68.3	20%	0.204	41%	0.406	C	S	.	.	S	Bend	trans	-142	82.8	179.7	-157.2	170.3	0	0	0	111.1	H200 P207 T208 P209 L236 Y254	H200-L212 HydrophobicContact CB-CD1 4.41Å; P207-L212 HydrophobicContact CB-CB 4.06Å; P207-L212 HydrophobicContact CG-CB 4.12Å; P207-L212 HydrophobicContact CG-CD1 3.83Å; T208-L212 PolarHBondContact O-N 3Å; P209-L212 CarbonylContact O-C 3.55Å; P209-L212 VanDerWaalsContact O-C 3.31Å; L212-L236 HydrophobicContact CD1-CD1 4.3Å; L212-L236 HydrophobicContact CD1-CD2 4.16Å; L212-L236 HydrophobicContact CD2-CD1 4.07Å; L212-L236 HydrophobicContact CD2-CD2 4.29Å; L212-L236 HydrophobicContact CD2-CG 4.23Å; L212-L236 HydrophobicContact CG-CD2 4.27Å; L212-Y254 HydrophobicContact CD1-CD1 3.99Å; L212-Y254 HydrophobicContact CD1-CE1 4.04Å
213	P	95.9	Very high	95.2	Very high	46 Å²	46	70.8 Å²	70.8	30%	0.299	43%	0.432	S	S	.	.			trans	-69.1	159.6	178.4	-19.7	33	0	0	0	114	P209 Y234	P209-P213 VanDerWaalsContact O-CA 3.31Å; P209-P213 WeakPolarHBondContact O-CA 3.42Å; P209-P213 WeakPolarHBondContact O-CG 3.23Å; P213-Y234 HydrophobicContact CB-CD1 3.97Å; P213-Y234 HydrophobicContact CB-CD2 3.82Å; P213-Y234 HydrophobicContact CB-CE1 4.04Å; P213-Y234 HydrophobicContact CB-CE2 3.87Å; P213-Y234 HydrophobicContact CB-CG 3.89Å; P213-Y234 HydrophobicContact CG-CD1 4.1Å; P213-Y234 HydrophobicContact CG-CG 4.13Å; P213-Y234 WeakPolarHBondContact O-CD2 3.39Å
214	S	95	Very high	95.2	Very high	63 Å²	63	65.7 Å²	65.7	44%	0.441	41%	0.405	S	S	.	.			trans	-95.3	132.3	178.9	-178.9	0	0	0	0	112.3	Y216 Y234	S214-Y216 PolarHBondContact O-N 2.96Å; S214-Y216 WeakPolarHBondContact OG-CD1 3.42Å; S214-Y216 WeakPolarHBondContact OG-CE1 3.47Å; S214-Y216 PolarHBondContact OG-N 3.43Å; S214-Y216 PolarHBondContact OG-O 3.36Å; S214-Y234 WeakPolarHBondContact O-CE2 3.35Å; S214-Y234 PolarHBondContact O-OH 3.02Å
215	C	96.8	Very high	95.2	Very high	26 Å²	26	65.4 Å²	65.4	18%	0.176	39%	0.389	C	S	.	.	S	Bend	trans	-75.7	0.4	-179.9	-65.9	0	0	0	0	114	W221 C232 Y234 N235	C215-W221 HydrophobicContact CB-CD2 4.13Å; C215-W221 HydrophobicContact CB-CE3 3.72Å; C215-W221 HydrophobicContact CB-CH2 3.33Å; C215-W221 HydrophobicContact CB-CZ2 3.72Å; C215-W221 HydrophobicContact CB-CZ3 3.32Å; C215-W221 PolarHBondContact O-NE1 3.18Å; C215-C232 HydrophobicContact CB-CB 3.81Å; C215-C232 WeakPolarHBondContact CB-SG 3.24Å; C215-C232 WeakPolarHBondContact SG-CB 3.18Å; C215-C232 CovalentContact SG-SG 2.04Å; C215-C232 PolarHBondContact SG-SG 3.18Å; C215-Y234 HydrophobicContact CB-CE2 4.2Å; C215-N235 VanDerWaalsContact SG-CA 3.55Å
216	Y	94.7	Very high	95.2	Very high	48 Å²	48	61.3 Å²	61.3	19%	0.188	38%	0.375	C	S	.	.	S	Bend	trans	-146.8	149.5	-174.7	61	-84.7	0	0	0	110.1	T194 S214 D220 W221	T194-Y216 WeakPolarHBondContact CB-OH 3.38Å; T194-Y216 HydrophobicContact CG2-CE1 4.3Å; T194-Y216 HydrophobicContact CG2-CE2 4.18Å; T194-Y216 WeakPolarHBondContact CG2-OH 3.49Å; S214-Y216 PolarHBondContact O-N 2.96Å; S214-Y216 WeakPolarHBondContact OG-CD1 3.42Å; S214-Y216 WeakPolarHBondContact OG-CE1 3.47Å; S214-Y216 PolarHBondContact OG-N 3.43Å; S214-Y216 PolarHBondContact OG-O 3.36Å; Y216-D220 WeakPolarHBondContact CD2-O 3.48Å; Y216-D220 VanDerWaalsContact CE2-CA 3.43Å; Y216-W221 HydrophobicContact CD1-CB 3.77Å; Y216-W221 HydrophobicContact CD1-CD2 4.43Å; Y216-W221 HydrophobicContact CD1-CG 4.16Å; Y216-W221 HydrophobicContact CG-CB 3.79Å; Y216-W221 HydrophobicContact CG-CG 4.18Å
217	E	91.3	Very high	95.2	Very high	187 Å²	187	62.9 Å²	62.9	87%	0.874	38%	0.377	S	S	*	.	S	Bend	trans	-90.9	155.5	169.2	-60.5	-178.9	175.8	0	0	109.8
218	G	91.6	Very high	95.2	Very high	76 Å²	76	66.7 Å²	66.7	78%	0.784	39%	0.393	S	S	*	.	S	Bend	trans	77.4	-139.4	176	0	0	0	0	0	115
219	S	91.7	Very high	95.3	Very high	75 Å²	75	64 Å²	64	52%	0.524	38%	0.377	S	S	.	.	S	Bend	trans	-82.3	-36.7	-167.4	56.5	0	0	0	0	114.4	K196	K196-S219 PolarHBondContact NZ-O 3.2Å
220	D	94.6	Very high	95.5	Very high	48 Å²	48	59.8 Å²	59.8	26%	0.257	35%	0.349	S	S	.	.			trans	-169.6	176.9	-170.8	57.1	84	0	0	0	111.3	T194 Y216 S222	T194-D220 VanDerWaalsContact CG2-CA 3.46Å; T194-D220 HydrophobicContact CG2-CB 3.34Å; Y216-D220 WeakPolarHBondContact CD2-O 3.48Å; Y216-D220 VanDerWaalsContact CE2-CA 3.43Å; D220-S222 WeakPolarHBondContact OD1-CB 3.19Å; D220-S222 PolarHBondContact OD1-N 2.87Å; D220-S222 PolarHBondContact OD1-OG 3.37Å
221	W	95.9	Very high	95.6	Very high	34 Å²	34	57.1 Å²	57.1	13%	0.129	34%	0.339	C	S	.	.			trans	-106.8	36.3	-177.7	-152.6	12.7	0	0	0	112.3	V189 C215 Y216 C224 Q228 F229 C232	V189-W221 HydrophobicContact CG1-CB 3.74Å; V189-W221 HydrophobicContact CG1-CD2 4.22Å; V189-W221 HydrophobicContact CG1-CE3 3.73Å; V189-W221 HydrophobicContact CG1-CG 4.27Å; C215-W221 HydrophobicContact CB-CD2 4.13Å; C215-W221 HydrophobicContact CB-CE3 3.72Å; C215-W221 HydrophobicContact CB-CH2 3.33Å; C215-W221 HydrophobicContact CB-CZ2 3.72Å; C215-W221 HydrophobicContact CB-CZ3 3.32Å; C215-W221 PolarHBondContact O-NE1 3.18Å; Y216-W221 HydrophobicContact CD1-CB 3.77Å; Y216-W221 HydrophobicContact CD1-CD2 4.43Å; Y216-W221 HydrophobicContact CD1-CG 4.16Å; Y216-W221 HydrophobicContact CG-CB 3.79Å; Y216-W221 HydrophobicContact CG-CG 4.18Å; W221-C224 HydrophobicContact CD2-CB 4.05Å; W221-C224 HydrophobicContact CG-CB 3.86Å; W221-C224 WeakPolarHBondContact O-CB 3.5Å; W221-C224 PolarHBondContact O-N 3.42Å; W221-C224 PolarHBondContact O-SG 3.46Å; W221-Q228 VanDerWaalsContact CZ2-O 3.29Å; W221-Q228 WeakPolarHBondContact CZ2-O 3.31Å; W221-F229 AromaticContact CE3-CD2 3.91Å; W221-F229 HydrophobicContact CE3-CD2 3.91Å; W221-F229 HydrophobicContact CE3-CE2 4.22Å; W221-F229 HydrophobicContact CH2-CB 4.43Å; W221-F229 AromaticContact CH2-CD2 3.92Å; W221-F229 HydrophobicContact CH2-CD2 3.92Å; W221-F229 HydrophobicContact CH2-CG 4.47Å; W221-F229 AromaticContact CZ3-CD2 3.43Å; W221-F229 HydrophobicContact CZ3-CD2 3.43Å; W221-F229 VanDerWaalsContact CZ3-CD2 3.43Å; W221-F229 AromaticContact CZ3-CE2 3.83Å; W221-F229 HydrophobicContact CZ3-CE2 3.83Å; W221-F229 HydrophobicContact CZ3-CG 4.36Å; W221-C232 HydrophobicContact CH2-CB 3.69Å; W221-C232 HydrophobicContact CZ2-CB 4.28Å
222	S	96.1	Very high	95.7	Very high	65 Å²	65	55.8 Å²	55.8	46%	0.455	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	144	177.6	-68.7	0	0	0	0	112.2	G192 D220 C224	G192-S222 VanDerWaalsContact CA-OG 3.23Å; G192-S222 WeakPolarHBondContact CA-OG 3.41Å; G192-S222 PolarHBondContact N-OG 3.05Å; D220-S222 WeakPolarHBondContact OD1-CB 3.19Å; D220-S222 PolarHBondContact OD1-N 2.87Å; D220-S222 PolarHBondContact OD1-OG 3.37Å; S222-C224 PolarHBondContact O-N 3.44Å
223	G	95	Very high	95.7	Very high	55 Å²	55	59 Å²	59	57%	0.567	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.5	-6.6	178.5	0	0	0	0	0	115.9	Q190 T225	Q190-G223 PolarHBondContact O-N 3.03Å; G223-T225 PolarHBondContact O-N 3.3Å
224	C	96.4	Very high	95.7	Very high	2 Å²	2	61.5 Å²	61.5	1%	0.014	36%	0.361	C	S	.	.			trans	-52.7	135.9	-177.6	72.4	0	0	0	0	112.9	W186 Q190 W221 S222	W186-C224 PolarHBondContact NE1-O 3.19Å; Q190-C224 PolarHBondContact NE2-O 3.43Å; W221-C224 HydrophobicContact CD2-CB 4.05Å; W221-C224 HydrophobicContact CG-CB 3.86Å; W221-C224 WeakPolarHBondContact O-CB 3.5Å; W221-C224 PolarHBondContact O-N 3.42Å; W221-C224 PolarHBondContact O-SG 3.46Å; S222-C224 PolarHBondContact O-N 3.44Å
225	T	96.6	Very high	95.8	Very high	67 Å²	67	59.1 Å²	59.1	41%	0.411	34%	0.343	S	S	.	.			trans	-73.4	163.8	174	70.5	0	0	0	0	110.5	W186 G223 Q227 Q228 F229	W186-T225 PolarHBondContact NE1-O 3.47Å; G223-T225 PolarHBondContact O-N 3.3Å; T225-Q227 PolarHBondContact O-N 2.75Å; T225-Q228 WeakPolarHBondContact OG1-CG 3.28Å; T225-Q228 PolarHBondContact OG1-N 3Å; T225-Q228 VanDerWaalsContact OG1-N 3.11Å; T225-Q228 PolarHBondContact OG1-OE1 3.39Å; T225-F229 WeakPolarHBondContact O-CB 3.29Å; T225-F229 PolarHBondContact O-N 3.14Å; T225-F229 VanDerWaalsContact O-N 3.07Å
226	L	96.7	Very high	95.9	Very high	20 Å²	20	59.8 Å²	59.8	11%	0.105	35%	0.345	C	S	.	.	H	α-helix	trans	-62.9	-37.7	174.3	-179.9	56.2	0	0	0	110.7	L183 W186 F229 M230 L320 T324 I328	L183-L226 HydrophobicContact CD2-CD1 4.07Å; L183-L226 HydrophobicContact CD2-CD2 3.99Å; W186-L226 HydrophobicContact CB-CD1 4.4Å; W186-L226 HydrophobicContact CD2-CB 4.06Å; W186-L226 HydrophobicContact CD2-CD1 3.85Å; W186-L226 HydrophobicContact CD2-CG 4.49Å; W186-L226 HydrophobicContact CE3-CB 4.22Å; W186-L226 HydrophobicContact CE3-CD1 3.87Å; W186-L226 HydrophobicContact CE3-CD2 4.46Å; W186-L226 HydrophobicContact CE3-CG 4.41Å; W186-L226 HydrophobicContact CG-CD1 4.05Å; W186-L226 HydrophobicContact CH2-CB 3.86Å; W186-L226 HydrophobicContact CZ2-CB 3.7Å; W186-L226 HydrophobicContact CZ3-CB 4.11Å; W186-L226 HydrophobicContact CZ3-CD1 4.43Å; W186-L226 HydrophobicContact CZ3-CD2 4.24Å; L226-F229 WeakPolarHBondContact O-CB 3.11Å; L226-F229 PolarHBondContact O-N 3.26Å; L226-M230 HydrophobicContact CD1-CG 4.2Å; L226-M230 HydrophobicContact CD1-SD 4.32Å; L226-M230 HydrophobicContact CG-CE 4.08Å; L226-M230 HydrophobicContact CG-CG 4.48Å; L226-M230 HydrophobicContact CG-SD 4.2Å; L226-M230 WeakPolarHBondContact O-CG 3.49Å; L226-M230 PolarHBondContact O-N 3.44Å; L226-L320 HydrophobicContact CD2-CD2 3.67Å; L226-T324 HydrophobicContact CD2-CG2 3.8Å; L226-I328 HydrophobicContact CD2-CD1 4.44Å
227	Q	96.7	Very high	96.1	Very high	104 Å²	104	57.5 Å²	57.5	49%	0.486	34%	0.336	S	S	.	.	H	α-helix	trans	-59.6	-54.4	176.6	-168.5	57	47.5	0	0	111.5	T225 F229 M230 D231	T225-Q227 PolarHBondContact O-N 2.75Å; Q227-F229 PolarHBondContact O-N 3.43Å; Q227-M230 PolarHBondContact O-N 3.43Å; Q227-D231 WeakPolarHBondContact CG-OD2 3.39Å; Q227-D231 PolarHBondContact NE2-OD1 3.19Å; Q227-D231 PolarHBondContact NE2-OD2 2.91Å; Q227-D231 WeakPolarHBondContact O-CB 3.38Å; Q227-D231 PolarHBondContact O-N 3.36Å
228	Q	97.4	Very high	96.5	Very high	103 Å²	103	49.7 Å²	49.7	48%	0.481	30%	0.301	S	S	.	.	H	α-helix	trans	-56.3	-35.9	175.1	-72.3	170.1	-34.9	0	0	112.7	W221 T225	W221-Q228 VanDerWaalsContact CZ2-O 3.29Å; W221-Q228 WeakPolarHBondContact CZ2-O 3.31Å; T225-Q228 WeakPolarHBondContact OG1-CG 3.28Å; T225-Q228 PolarHBondContact OG1-N 3Å; T225-Q228 VanDerWaalsContact OG1-N 3.11Å; T225-Q228 PolarHBondContact OG1-OE1 3.39Å
229	F	98.1	Very high	96.8	Very high	1 Å²	1	47.6 Å²	47.6	0%	0.004	27%	0.271	C	S	.	.	H	α-helix	trans	-68.2	-39.5	177.9	-167.8	-100	0	0	0	112.6	Y182 E185 W186 V189 W221 T225 L226 Q227 N235 A237	Y182-F229 HydrophobicContact CD1-CD1 4.36Å; Y182-F229 HydrophobicContact CD1-CE1 4.14Å; Y182-F229 HydrophobicContact CD2-CE1 4.42Å; Y182-F229 AromaticContact CE1-CD1 3.56Å; Y182-F229 HydrophobicContact CE1-CD1 3.56Å; Y182-F229 AromaticContact CE1-CE1 3.65Å; Y182-F229 HydrophobicContact CE1-CE1 3.65Å; Y182-F229 HydrophobicContact CE2-CD1 4.49Å; Y182-F229 AromaticContact CE2-CE1 3.96Å; Y182-F229 HydrophobicContact CE2-CE1 3.96Å; Y182-F229 AromaticContact CZ-CD1 3.64Å; Y182-F229 AromaticContact CZ-CE1 3.55Å; Y182-F229 PolarHBondContact OH-O 3.46Å; E185-F229 HydrophobicContact CB-CZ 4.44Å; E185-F229 HydrophobicContact CG-CZ 4.24Å; W186-F229 HydrophobicContact CB-CD1 3.68Å; W186-F229 HydrophobicContact CB-CD2 4.38Å; W186-F229 HydrophobicContact CB-CE1 3.77Å; W186-F229 HydrophobicContact CB-CE2 4.48Å; W186-F229 HydrophobicContact CB-CG 3.98Å; W186-F229 HydrophobicContact CB-CZ 4.16Å; W186-F229 AromaticContact CD1-CG 3.8Å; W186-F229 HydrophobicContact CG-CB 4.35Å; W186-F229 HydrophobicContact CG-CD1 4.27Å; W186-F229 HydrophobicContact CG-CG 4.19Å; V189-F229 HydrophobicContact CB-CE2 3.95Å; V189-F229 HydrophobicContact CG1-CD2 4.3Å; V189-F229 HydrophobicContact CG1-CE2 3.96Å; V189-F229 HydrophobicContact CG2-CE2 3.9Å; V189-F229 HydrophobicContact CG2-CZ 4.41Å; W221-F229 AromaticContact CE3-CD2 3.91Å; W221-F229 HydrophobicContact CE3-CD2 3.91Å; W221-F229 HydrophobicContact CE3-CE2 4.22Å; W221-F229 HydrophobicContact CH2-CB 4.43Å; W221-F229 AromaticContact CH2-CD2 3.92Å; W221-F229 HydrophobicContact CH2-CD2 3.92Å; W221-F229 HydrophobicContact CH2-CG 4.47Å; W221-F229 AromaticContact CZ3-CD2 3.43Å; W221-F229 HydrophobicContact CZ3-CD2 3.43Å; W221-F229 VanDerWaalsContact CZ3-CD2 3.43Å; W221-F229 AromaticContact CZ3-CE2 3.83Å; W221-F229 HydrophobicContact CZ3-CE2 3.83Å; W221-F229 HydrophobicContact CZ3-CG 4.36Å; T225-F229 WeakPolarHBondContact O-CB 3.29Å; T225-F229 PolarHBondContact O-N 3.14Å; T225-F229 VanDerWaalsContact O-N 3.07Å; L226-F229 WeakPolarHBondContact O-CB 3.11Å; L226-F229 PolarHBondContact O-N 3.26Å; Q227-F229 PolarHBondContact O-N 3.43Å; F229-N235 WeakPolarHBondContact CE1-ND2 3.49Å; F229-N235 WeakPolarHBondContact CE2-ND2 3.36Å; F229-N235 WeakPolarHBondContact CZ-ND2 3.48Å; F229-N235 PolarHBondContact O-ND2 2.68Å; F229-A237 HydrophobicContact CE1-CB 3.64Å; F229-A237 HydrophobicContact CZ-CB 3.44Å; F229-A237 VanDerWaalsContact CZ-CB 3.44Å
230	M	98.1	Very high	97.1	Very high	8 Å²	8	44.5 Å²	44.5	4%	0.039	25%	0.248	C	C	.	.	H	α-helix	trans	-74.2	-33.9	176.4	-70.6	-174.9	-51.9	0	0	113.2	Y182 L226 Q227 C232 T324 R327 I328 L331	Y182-M230 HydrophobicContact CE1-CG 4.04Å; L226-M230 HydrophobicContact CD1-CG 4.2Å; L226-M230 HydrophobicContact CD1-SD 4.32Å; L226-M230 HydrophobicContact CG-CE 4.08Å; L226-M230 HydrophobicContact CG-CG 4.48Å; L226-M230 HydrophobicContact CG-SD 4.2Å; L226-M230 WeakPolarHBondContact O-CG 3.49Å; L226-M230 PolarHBondContact O-N 3.44Å; Q227-M230 PolarHBondContact O-N 3.43Å; M230-C232 VanDerWaalsContact C-N 3.33Å; M230-C232 PolarHBondContact O-N 3.01Å; M230-T324 HydrophobicContact CE-CG2 4.21Å; M230-T324 HydrophobicContact SD-CG2 4.29Å; M230-R327 HydrophobicContact SD-CG 4.2Å; M230-I328 HydrophobicContact SD-CD1 4.31Å; M230-I328 HydrophobicContact SD-CG1 3.66Å; M230-L331 HydrophobicContact CB-CD1 3.66Å; M230-L331 HydrophobicContact CG-CD1 3.79Å; M230-L331 HydrophobicContact SD-CD1 4.46Å
231	D	97.9	Very high	97.3	Very high	93 Å²	93	42.2 Å²	42.2	50%	0.497	24%	0.236	S	C	.	.	H	α-helix	trans	-77.3	-15.5	-174.3	-68.7	-26.4	0	0	0	113.9	Q227 P233	Q227-D231 WeakPolarHBondContact CG-OD2 3.39Å; Q227-D231 PolarHBondContact NE2-OD1 3.19Å; Q227-D231 PolarHBondContact NE2-OD2 2.91Å; Q227-D231 WeakPolarHBondContact O-CB 3.38Å; Q227-D231 PolarHBondContact O-N 3.36Å; D231-P233 VanDerWaalsContact O-CD 3.26Å; D231-P233 WeakPolarHBondContact O-CD 3.3Å
232	C	97.8	Very high	97.5	Very high	11 Å²	11	40.7 Å²	40.7	7%	0.074	23%	0.23	C	C	.	.			trans	-74.4	112.3	175.1	-179.5	0	0	0	0	111.1	C215 W221 M230 Y234 N235	C215-C232 HydrophobicContact CB-CB 3.81Å; C215-C232 WeakPolarHBondContact CB-SG 3.24Å; C215-C232 WeakPolarHBondContact SG-CB 3.18Å; C215-C232 CovalentContact SG-SG 2.04Å; C215-C232 PolarHBondContact SG-SG 3.18Å; W221-C232 HydrophobicContact CH2-CB 3.69Å; W221-C232 HydrophobicContact CZ2-CB 4.28Å; M230-C232 VanDerWaalsContact C-N 3.33Å; M230-C232 PolarHBondContact O-N 3.01Å; C232-Y234 VanDerWaalsContact C-N 3.34Å; C232-Y234 PolarHBondContact O-N 2.88Å; C232-Y234 WeakPolarHBondContact SG-CD2 3.4Å; C232-Y234 WeakPolarHBondContact SG-CE2 3.28Å; C232-N235 HydrophobicContact CB-CB 4.09Å; C232-N235 VanDerWaalsContact O-CB 3.3Å; C232-N235 WeakPolarHBondContact O-CB 3.4Å; C232-N235 PolarHBondContact O-N 2.75Å
233	P	96.1	Very high	97.6	Very high	106 Å²	106	39 Å²	39	69%	0.688	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-29.6	-170.9	26.9	-33.4	0	0	0	113.3	D231	D231-P233 VanDerWaalsContact O-CD 3.26Å; D231-P233 WeakPolarHBondContact O-CD 3.3Å
234	Y	95.1	Very high	97.8	Very high	99 Å²	99	36.7 Å²	36.7	39%	0.388	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97	20.1	178.6	47.1	-100.4	0	0	0	112.7	P213 S214 C215 C232 L236	P213-Y234 HydrophobicContact CB-CD1 3.97Å; P213-Y234 HydrophobicContact CB-CD2 3.82Å; P213-Y234 HydrophobicContact CB-CE1 4.04Å; P213-Y234 HydrophobicContact CB-CE2 3.87Å; P213-Y234 HydrophobicContact CB-CG 3.89Å; P213-Y234 HydrophobicContact CG-CD1 4.1Å; P213-Y234 HydrophobicContact CG-CG 4.13Å; P213-Y234 WeakPolarHBondContact O-CD2 3.39Å; S214-Y234 WeakPolarHBondContact O-CE2 3.35Å; S214-Y234 PolarHBondContact O-OH 3.02Å; C215-Y234 HydrophobicContact CB-CE2 4.2Å; C232-Y234 VanDerWaalsContact C-N 3.34Å; C232-Y234 PolarHBondContact O-N 2.88Å; C232-Y234 WeakPolarHBondContact SG-CD2 3.4Å; C232-Y234 WeakPolarHBondContact SG-CE2 3.28Å; Y234-L236 PolarHBondContact O-N 3.11Å; Y234-L236 VanDerWaalsContact O-N 3.12Å
235	N	98.2	Very high	97.9	Very high	13 Å²	13	36.6 Å²	36.6	7%	0.07	19%	0.188	C	C	.	.			trans	-62.8	114	176	-173.5	-9.2	0	0	0	111.3	C215 F229 C232 A237 N238	C215-N235 VanDerWaalsContact SG-CA 3.55Å; F229-N235 WeakPolarHBondContact CE1-ND2 3.49Å; F229-N235 WeakPolarHBondContact CE2-ND2 3.36Å; F229-N235 WeakPolarHBondContact CZ-ND2 3.48Å; F229-N235 PolarHBondContact O-ND2 2.68Å; C232-N235 HydrophobicContact CB-CB 4.09Å; C232-N235 VanDerWaalsContact O-CB 3.3Å; C232-N235 WeakPolarHBondContact O-CB 3.4Å; C232-N235 PolarHBondContact O-N 2.75Å; N235-A237 PolarHBondContact O-N 3.05Å; N235-A237 VanDerWaalsContact OD1-CB 3.23Å; N235-A237 WeakPolarHBondContact OD1-CB 3.45Å; N235-A237 PolarHBondContact OD1-N 3.49Å; N235-N238 WeakPolarHBondContact O-CB 3.39Å; N235-N238 PolarHBondContact O-N 3.32Å
236	L	98.4	Very high	98	Very high	40 Å²	40	33.4 Å²	33.4	21%	0.209	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-9.8	177.1	-68.4	-177.4	0	0	0	114.4	L212 Y234 N238 R240 R243	L212-L236 HydrophobicContact CD1-CD1 4.3Å; L212-L236 HydrophobicContact CD1-CD2 4.16Å; L212-L236 HydrophobicContact CD2-CD1 4.07Å; L212-L236 HydrophobicContact CD2-CD2 4.29Å; L212-L236 HydrophobicContact CD2-CG 4.23Å; L212-L236 HydrophobicContact CG-CD2 4.27Å; Y234-L236 PolarHBondContact O-N 3.11Å; Y234-L236 VanDerWaalsContact O-N 3.12Å; L236-N238 VanDerWaalsContact C-N 3.32Å; L236-R240 PolarHBondContact O-NE 2.92Å; L236-R240 PolarHBondContact O-NH2 3.11Å; L236-R243 VanDerWaalsContact O-CZ 3.28Å; L236-R243 PolarHBondContact O-NH1 2.82Å; L236-R243 PolarHBondContact O-NH2 3.25Å
237	A	98.6	Very high	98.1	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-31.9	168	0	0	0	0	0	112.5	R181 Y182 E185 F229 N235 N239 N332	R181-A237 PolarHBondContact NH2-O 3.14Å; Y182-A237 HydrophobicContact CD2-CB 3.87Å; Y182-A237 HydrophobicContact CE2-CB 3.58Å; E185-A237 HydrophobicContact CG-CB 4.3Å; E185-A237 WeakPolarHBondContact OE1-CB 3.41Å; F229-A237 HydrophobicContact CE1-CB 3.64Å; F229-A237 HydrophobicContact CZ-CB 3.44Å; F229-A237 VanDerWaalsContact CZ-CB 3.44Å; N235-A237 PolarHBondContact O-N 3.05Å; N235-A237 VanDerWaalsContact OD1-CB 3.23Å; N235-A237 WeakPolarHBondContact OD1-CB 3.45Å; N235-A237 PolarHBondContact OD1-N 3.49Å; A237-N239 PolarHBondContact O-N 3.31Å; A237-N332 PolarHBondContact O-OD1 2.83Å
238	N	98.6	Very high	98.2	Very high	24 Å²	24	29.1 Å²	29.1	13%	0.128	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	131.3	178.8	-58.5	-9	0	0	0	109.4	Y182 N235 L236 R240 R243 L331	Y182-N238 WeakPolarHBondContact CE2-OD1 3.29Å; Y182-N238 PolarHBondContact OH-OD1 2.96Å; Y182-N238 VanDerWaalsContact OH-OD1 3.06Å; N235-N238 WeakPolarHBondContact O-CB 3.39Å; N235-N238 PolarHBondContact O-N 3.32Å; L236-N238 VanDerWaalsContact C-N 3.32Å; N238-R240 PolarHBondContact O-N 3.31Å; N238-R243 PolarHBondContact O-NH1 3Å; N238-R243 VanDerWaalsContact O-NH1 3.08Å; N238-L331 WeakPolarHBondContact CB-O 3.48Å
239	N	98.8	Very high	98.2	Very high	32 Å²	32	26.3 Å²	26.3	17%	0.171	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.2	38.1	179.3	-68.7	-49.7	0	0	0	114.5	A237 Q241 R243 N332 E333 L334 D335	A237-N239 PolarHBondContact O-N 3.31Å; N239-Q241 PolarHBondContact O-N 3.22Å; N239-R243 WeakPolarHBondContact O-CB 3.34Å; N239-R243 PolarHBondContact O-N 3.17Å; N239-N332 PolarHBondContact N-OD1 3.07Å; N239-N332 VanDerWaalsContact OD1-CA 3.26Å; N239-N332 WeakPolarHBondContact OD1-CA 3.29Å; N239-N332 PolarHBondContact OD1-O 2.75Å; N239-E333 PolarHBondContact OD1-N 3.08Å; N239-L334 HydrophobicContact CB-CB 4.4Å; N239-L334 WeakPolarHBondContact OD1-CA 3.23Å; N239-L334 WeakPolarHBondContact OD1-CB 3.4Å; N239-L334 PolarHBondContact OD1-N 2.84Å; N239-D335 WeakPolarHBondContact CA-OD1 3.28Å; N239-D335 PolarHBondContact OD1-N 2.98Å
240	R	98.9	Very high	98.2	Very high	9 Å²	9	30.4 Å²	30.4	3%	0.034	16%	0.162	C	C	.	.	H	α-helix	trans	-63.2	-41.6	-173.1	179.4	178.4	-74	-73	-1.4	112.8	I86 Q87 E185 L236 N238 M244 D335	I86-R240 HydrophobicContact CG2-CG 4.01Å; Q87-R240 VanDerWaalsContact CD-NH1 3.27Å; E185-R240 VanDerWaalsContact CD-NE 3.32Å; E185-R240 IonicContact OE1-CZ 2.7Å; E185-R240 VanDerWaalsContact OE1-CZ 3.26Å; E185-R240 IonicContact OE1-NE 2.86Å; E185-R240 PolarHBondContact OE1-NE 3.16Å; E185-R240 IonicContact OE1-NH2 3.24Å; E185-R240 PolarHBondContact OE1-NH2 3.09Å; E185-R240 WeakPolarHBondContact OE2-CD 3.5Å; E185-R240 IonicContact OE2-CZ 3.97Å; E185-R240 IonicContact OE2-NE 3.72Å; E185-R240 PolarHBondContact OE2-NE 2.81Å; E185-R240 IonicContact OE2-NH2 3.9Å; L236-R240 PolarHBondContact O-NE 2.92Å; L236-R240 PolarHBondContact O-NH2 3.11Å; N238-R240 PolarHBondContact O-N 3.31Å; R240-M244 HydrophobicContact CG-CG 4.16Å; R240-M244 HydrophobicContact CG-SD 3.55Å; R240-M244 VanDerWaalsContact CG-SD 3.55Å; R240-M244 VanDerWaalsContact O-CB 3.28Å; R240-M244 WeakPolarHBondContact O-CB 3.33Å; R240-M244 VanDerWaalsContact O-CG 3.27Å; R240-M244 WeakPolarHBondContact O-CG 3.45Å; R240-M244 PolarHBondContact O-N 2.83Å; R240-D335 PolarHBondContact N-OD1 3.47Å
241	Q	98.9	Very high	98.2	Very high	1 Å²	1	30 Å²	30	1%	0.005	16%	0.16	C	C	.	.	H	α-helix	trans	-69.6	-41.5	-176.2	-63.2	172.5	114.4	0	0	111.1	I86 L175 R176 N239 L245 D335 L338	I86-Q241 HydrophobicContact CD1-CB 4.33Å; I86-Q241 HydrophobicContact CD1-CG 4.27Å; I86-Q241 HydrophobicContact CG2-CG 4.09Å; L175-Q241 HydrophobicContact CD2-CB 3.97Å; L175-Q241 HydrophobicContact CD2-CG 3.98Å; L175-Q241 VanDerWaalsContact CD2-OE1 3.28Å; R176-Q241 PolarHBondContact O-NE2 3.49Å; R176-Q241 PolarHBondContact O-OE1 3.41Å; R176-Q241 VanDerWaalsContact O-OE1 3.12Å; N239-Q241 PolarHBondContact O-N 3.22Å; Q241-L245 VanDerWaalsContact O-CB 3.32Å; Q241-L245 WeakPolarHBondContact O-CB 3.16Å; Q241-L245 VanDerWaalsContact O-CG 3.31Å; Q241-L245 WeakPolarHBondContact O-CG 3.45Å; Q241-L245 PolarHBondContact O-N 3.22Å; Q241-L245 VanDerWaalsContact O-N 3.14Å; Q241-D335 WeakPolarHBondContact CA-OD1 3.44Å; Q241-D335 WeakPolarHBondContact CB-OD1 3.44Å; Q241-D335 VanDerWaalsContact CB-OD2 3.3Å; Q241-D335 WeakPolarHBondContact CB-OD2 3.43Å; Q241-D335 VanDerWaalsContact CG-OD2 3.28Å; Q241-D335 WeakPolarHBondContact CG-OD2 3.4Å; Q241-D335 PolarHBondContact N-OD1 3.23Å; Q241-D335 PolarHBondContact N-OD2 2.9Å; Q241-D335 VanDerWaalsContact N-OD2 3.16Å; Q241-D335 PolarHBondContact NE2-OD2 2.9Å; Q241-L338 HydrophobicContact CB-CD2 4.04Å
242	V	98.9	Very high	98.1	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.006	15%	0.148	C	C	.	.	H	α-helix	trans	-61.3	-54.2	172.4	168.1	0	0	0	0	110.8	M244 L245 A246 L268 L269 A272 L334 D335 L338	V242-M244 VanDerWaalsContact C-N 3.26Å; V242-M244 PolarHBondContact O-N 2.96Å; V242-L245 PolarHBondContact O-N 2.86Å; V242-L245 VanDerWaalsContact O-N 3.12Å; V242-A246 VanDerWaalsContact O-CB 3.31Å; V242-A246 WeakPolarHBondContact O-CB 3.47Å; V242-A246 PolarHBondContact O-N 3.32Å; V242-L268 HydrophobicContact CG1-CB 3.88Å; V242-L269 HydrophobicContact CG2-CD1 3.93Å; V242-A272 HydrophobicContact CB-CB 4.38Å; V242-A272 HydrophobicContact CG1-CB 4.16Å; V242-A272 HydrophobicContact CG2-CB 4.37Å; V242-L334 HydrophobicContact CB-CB 4.19Å; V242-L334 HydrophobicContact CG1-CB 4.19Å; V242-L334 HydrophobicContact CG1-CD1 4.34Å; V242-L334 VanDerWaalsContact CG2-C 3.47Å; V242-L334 HydrophobicContact CG2-CB 3.78Å; V242-L334 VanDerWaalsContact CG2-O 3.23Å; V242-L334 WeakPolarHBondContact CG2-O 3.38Å; V242-D335 PolarHBondContact N-OD1 2.88Å; V242-L338 HydrophobicContact CB-CD2 4.4Å; V242-L338 HydrophobicContact CG2-CB 3.61Å; V242-L338 HydrophobicContact CG2-CD2 3.58Å; V242-L338 HydrophobicContact CG2-CG 4.15Å
243	R	98.8	Very high	98.1	Very high	31 Å²	31	26.5 Å²	26.5	12%	0.117	15%	0.146	C	C	.	.	H	α-helix	trans	-57.8	-38.8	-178.6	-171.1	-174.9	65.6	-107.3	-4.5	112.3	L236 N238 N239 L248	L236-R243 VanDerWaalsContact O-CZ 3.28Å; L236-R243 PolarHBondContact O-NH1 2.82Å; L236-R243 PolarHBondContact O-NH2 3.25Å; N238-R243 PolarHBondContact O-NH1 3Å; N238-R243 VanDerWaalsContact O-NH1 3.08Å; N239-R243 WeakPolarHBondContact O-CB 3.34Å; N239-R243 PolarHBondContact O-N 3.17Å; R243-L248 HydrophobicContact CG-CD1 4.35Å; R243-L248 HydrophobicContact CG-CD2 3.97Å
244	M	98.9	Very high	98.1	Very high	5 Å²	5	22.1 Å²	22.1	3%	0.025	12%	0.116	C	C	.	.	H	α-helix	trans	-83.4	-7.7	-178.1	-67.9	-176.1	67.3	0	0	115	I86 Q87 H142 D144 W145 R240 V242	I86-M244 HydrophobicContact CG1-CB 4.3Å; I86-M244 HydrophobicContact CG1-CE 4.47Å; I86-M244 HydrophobicContact CG2-SD 3.96Å; Q87-M244 PolarHBondContact OE1-SD 3.39Å; H142-M244 HydrophobicContact CB-CE 4.41Å; H142-M244 WeakPolarHBondContact O-CE 3.45Å; D144-M244 HydrophobicContact CB-CB 3.87Å; D144-M244 HydrophobicContact CB-CE 4.12Å; D144-M244 HydrophobicContact CB-CG 3.97Å; W145-M244 WeakPolarHBondContact CB-O 3.46Å; W145-M244 PolarHBondContact N-O 3.44Å; R240-M244 HydrophobicContact CG-CG 4.16Å; R240-M244 HydrophobicContact CG-SD 3.55Å; R240-M244 VanDerWaalsContact CG-SD 3.55Å; R240-M244 VanDerWaalsContact O-CB 3.28Å; R240-M244 WeakPolarHBondContact O-CB 3.33Å; R240-M244 VanDerWaalsContact O-CG 3.27Å; R240-M244 WeakPolarHBondContact O-CG 3.45Å; R240-M244 PolarHBondContact O-N 2.83Å; V242-M244 VanDerWaalsContact C-N 3.26Å; V242-M244 PolarHBondContact O-N 2.96Å
245	L	98.9	Very high	98.1	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-109.6	-20.7	176	-72.1	173.5	0	0	0	113.4	L84 I86 T173 L175 Q241 V242 A272 N275 L276 M279 L338	L84-L245 HydrophobicContact CD1-CD2 4Å; L84-L245 HydrophobicContact CD2-CD2 4.49Å; I86-L245 HydrophobicContact CD1-CD1 4.1Å; I86-L245 HydrophobicContact CD1-CD2 4.35Å; I86-L245 HydrophobicContact CD1-CG 3.98Å; T173-L245 HydrophobicContact CG2-CD2 4.22Å; L175-L245 HydrophobicContact CD2-CD1 3.84Å; Q241-L245 VanDerWaalsContact O-CB 3.32Å; Q241-L245 WeakPolarHBondContact O-CB 3.16Å; Q241-L245 VanDerWaalsContact O-CG 3.31Å; Q241-L245 WeakPolarHBondContact O-CG 3.45Å; Q241-L245 PolarHBondContact O-N 3.22Å; Q241-L245 VanDerWaalsContact O-N 3.14Å; V242-L245 PolarHBondContact O-N 2.86Å; V242-L245 VanDerWaalsContact O-N 3.12Å; L245-A272 HydrophobicContact CB-CB 3.94Å; L245-N275 VanDerWaalsContact O-CB 3.3Å; L245-N275 WeakPolarHBondContact O-CB 3.18Å; L245-N275 PolarHBondContact O-ND2 2.56Å; L245-L276 HydrophobicContact CD1-CB 4.42Å; L245-L276 HydrophobicContact CD1-CD1 4.03Å; L245-M279 HydrophobicContact CD2-CE 3.48Å; L245-M279 VanDerWaalsContact CD2-CE 3.48Å; L245-M279 HydrophobicContact CD2-SD 4.45Å; L245-L338 HydrophobicContact CD1-CD2 4Å
246	A	98.8	Very high	97.8	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.135	C	C	.	.	S	Bend	trans	-71.7	152.6	174.1	0	0	0	0	0	112	T146 V242 L248 L268 A272	T146-A246 PolarHBondContact OG1-O 3.34Å; V242-A246 VanDerWaalsContact O-CB 3.31Å; V242-A246 WeakPolarHBondContact O-CB 3.47Å; V242-A246 PolarHBondContact O-N 3.32Å; A246-L248 HydrophobicContact CB-CD2 4.42Å; A246-L248 PolarHBondContact O-N 2.77Å; A246-L268 HydrophobicContact CB-CB 4.33Å; A246-L268 HydrophobicContact CB-CD2 3.6Å; A246-L268 WeakPolarHBondContact CB-O 3.42Å; A246-A272 HydrophobicContact CB-CB 4.35Å
247	D	98.6	Very high	97.6	Very high	33 Å²	33	28.4 Å²	28.4	18%	0.176	16%	0.163	C	C	.	.			trans	-73	112	156.3	-171.8	-16.7	0	0	0	109.3	W145 S249 L250 S271	W145-D247 HydrophobicContact CE3-CB 3.88Å; W145-D247 HydrophobicContact CH2-CB 3.81Å; W145-D247 VanDerWaalsContact CZ3-CA 3.49Å; W145-D247 HydrophobicContact CZ3-CB 3.27Å; D247-S249 WeakPolarHBondContact OD1-CB 3.5Å; D247-S249 PolarHBondContact OD1-N 2.87Å; D247-S249 PolarHBondContact OD1-OG 3.42Å; D247-S249 PolarHBondContact OD2-OG 3.22Å; D247-L250 HydrophobicContact CB-CD1 3.8Å; D247-L250 HydrophobicContact CB-CG 3.84Å; D247-S271 PolarHBondContact N-OG 3.02Å
248	L	98.4	Very high	97.3	Very high	2 Å²	2	31.8 Å²	31.8	1%	0.01	18%	0.184	C	C	.	.	S	Bend	trans	-79	-19.9	-178.8	-60.4	-176.7	0	0	0	112.7	T146 R243 A246 L250 V251 C253 Y254 L268	T146-L248 HydrophobicContact CG2-CB 4.44Å; T146-L248 PolarHBondContact OG1-N 2.67Å; R243-L248 HydrophobicContact CG-CD1 4.35Å; R243-L248 HydrophobicContact CG-CD2 3.97Å; A246-L248 HydrophobicContact CB-CD2 4.42Å; A246-L248 PolarHBondContact O-N 2.77Å; L248-L250 PolarHBondContact O-N 3.37Å; L248-V251 WeakPolarHBondContact O-CG2 3.16Å; L248-V251 PolarHBondContact O-N 3.32Å; L248-C253 WeakPolarHBondContact O-CA 3.33Å; L248-C253 PolarHBondContact O-N 3.17Å; L248-Y254 HydrophobicContact CD1-CE1 4.25Å; L248-Y254 HydrophobicContact CD1-CE2 4.13Å; L248-Y254 WeakPolarHBondContact CD1-OH 3.39Å; L248-L268 HydrophobicContact CD2-CD2 3.56Å
249	S	97.8	Very high	97.1	Very high	44 Å²	44	31.8 Å²	31.8	31%	0.308	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-62.6	-35	177.5	71.8	0	0	0	0	111.4	D203 D247 V251 G252	D203-S249 WeakPolarHBondContact OD1-CB 3.47Å; D247-S249 WeakPolarHBondContact OD1-CB 3.5Å; D247-S249 PolarHBondContact OD1-N 2.87Å; D247-S249 PolarHBondContact OD1-OG 3.42Å; D247-S249 PolarHBondContact OD2-OG 3.22Å; S249-V251 PolarHBondContact O-N 2.91Å; S249-G252 PolarHBondContact O-N 3.41Å
250	L	97.6	Very high	97	Very high	87 Å²	87	34.9 Å²	34.9	46%	0.455	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-55.3	-24	177.9	-60.9	-179.9	0	0	0	114	D247 L248 M267	D247-L250 HydrophobicContact CB-CD1 3.8Å; D247-L250 HydrophobicContact CB-CG 3.84Å; L248-L250 PolarHBondContact O-N 3.37Å; L250-M267 HydrophobicContact CB-CE 4.22Å; L250-M267 WeakPolarHBondContact O-CE 3.39Å
251	V	97.4	Very high	96.8	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-118.2	17.5	-178.5	-62.6	0	0	0	0	112.8	L248 S249 T258 R264 M267 L268	L248-V251 WeakPolarHBondContact O-CG2 3.16Å; L248-V251 PolarHBondContact O-N 3.32Å; S249-V251 PolarHBondContact O-N 2.91Å; V251-T258 PolarHBondContact O-OG1 3.47Å; V251-R264 HydrophobicContact CB-CG 4Å; V251-R264 HydrophobicContact CG1-CB 4.42Å; V251-R264 HydrophobicContact CG1-CG 4.05Å; V251-R264 HydrophobicContact CG2-CG 4.32Å; V251-R264 PolarHBondContact O-NH1 2.87Å; V251-M267 HydrophobicContact CG1-CB 3.81Å; V251-M267 HydrophobicContact CG1-CE 4.19Å; V251-M267 HydrophobicContact CG1-SD 4.43Å; V251-L268 HydrophobicContact CG1-CD2 4.47Å; V251-L268 HydrophobicContact CG1-CG 4.26Å; V251-L268 HydrophobicContact CG2-CD2 3.74Å; V251-L268 HydrophobicContact CG2-CG 4.14Å
252	G	96.8	Very high	96.7	Very high	24 Å²	24	50.5 Å²	50.5	25%	0.247	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.7	39.5	-178.6	0	0	0	0	0	113.3	S249 Y254 N255	S249-G252 PolarHBondContact O-N 3.41Å; G252-Y254 PolarHBondContact O-N 3.3Å; G252-N255 PolarHBondContact O-N 3.14Å
253	C	97.3	Very high	96.6	Very high	5 Å²	5	56.4 Å²	56.4	3%	0.034	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.5	-132.3	177.5	-59.1	0	0	0	0	112.5	C202 D203 L248 N255 R264	C202-C253 VanDerWaalsContact C-SG 3.51Å; C202-C253 HydrophobicContact CB-CB 3.61Å; C202-C253 WeakPolarHBondContact CB-SG 3.27Å; C202-C253 WeakPolarHBondContact SG-CA 3.36Å; C202-C253 WeakPolarHBondContact SG-CB 3.45Å; C202-C253 CovalentContact SG-SG 2.03Å; C202-C253 PolarHBondContact SG-SG 2.87Å; D203-C253 PolarHBondContact OD2-SG 3.03Å; D203-C253 VanDerWaalsContact OD2-SG 3.38Å; L248-C253 WeakPolarHBondContact O-CA 3.33Å; L248-C253 PolarHBondContact O-N 3.17Å; C253-N255 VanDerWaalsContact C-N 3.34Å; C253-R264 VanDerWaalsContact O-CZ 3.31Å; C253-R264 PolarHBondContact O-NH1 3.42Å; C253-R264 PolarHBondContact O-NH2 2.81Å
254	Y	96.6	Very high	96.6	Very high	15 Å²	15	56 Å²	56	6%	0.059	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-4.6	-178.6	-62.1	-84.9	0	0	0	113.7	H200 C202 P207 L212 L248 G252 M256	H200-Y254 HydrophobicContact CB-CE2 3.74Å; H200-Y254 WeakPolarHBondContact CB-OH 3.21Å; H200-Y254 PolarHBondContact ND1-OH 2.83Å; H200-Y254 VanDerWaalsContact O-CE2 3.3Å; H200-Y254 WeakPolarHBondContact O-CE2 3.3Å; C202-Y254 HydrophobicContact CB-CE2 4.35Å; P207-Y254 HydrophobicContact CB-CD2 3.86Å; P207-Y254 HydrophobicContact CB-CG 4.02Å; P207-Y254 HydrophobicContact CG-CD2 3.98Å; P207-Y254 HydrophobicContact CG-CE2 4.35Å; P207-Y254 HydrophobicContact CG-CG 4.34Å; L212-Y254 HydrophobicContact CD1-CD1 3.99Å; L212-Y254 HydrophobicContact CD1-CE1 4.04Å; L248-Y254 HydrophobicContact CD1-CE1 4.25Å; L248-Y254 HydrophobicContact CD1-CE2 4.13Å; L248-Y254 WeakPolarHBondContact CD1-OH 3.39Å; G252-Y254 PolarHBondContact O-N 3.3Å; Y254-M256 PolarHBondContact O-N 2.91Å; Y254-M256 VanDerWaalsContact O-N 3.14Å
255	N	95.4	Very high	96.5	Very high	58 Å²	58	56.5 Å²	56.5	31%	0.31	31%	0.307	S	S	.	.			trans	-72.6	109.3	174.8	-174.4	-23.3	0	0	0	109.9	G252 C253 S257 T258 R264	G252-N255 PolarHBondContact O-N 3.14Å; C253-N255 VanDerWaalsContact C-N 3.34Å; N255-S257 VanDerWaalsContact C-N 3.29Å; N255-S257 PolarHBondContact O-N 2.95Å; N255-S257 WeakPolarHBondContact OD1-CB 3.18Å; N255-S257 PolarHBondContact OD1-N 3.43Å; N255-T258 HydrophobicContact CB-CG2 3.9Å; N255-T258 PolarHBondContact O-OG1 2.88Å; N255-R264 PolarHBondContact O-NH1 3.32Å
256	M	92.2	Very high	96.5	Very high	110 Å²	110	62.9 Å²	62.9	54%	0.542	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-12.7	-178.1	-63.6	-65.6	-69.5	0	0	113.6	Y254 R264	Y254-M256 PolarHBondContact O-N 2.91Å; Y254-M256 VanDerWaalsContact O-N 3.14Å; M256-R264 VanDerWaalsContact SD-CZ 3.53Å; M256-R264 PolarHBondContact SD-NE 3.38Å
257	S	93	Very high	96.5	Very high	115 Å²	115	65.7 Å²	65.7	80%	0.804	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-10	-177	-53.9	0	0	0	0	114.2	N255	N255-S257 VanDerWaalsContact C-N 3.29Å; N255-S257 PolarHBondContact O-N 2.95Å; N255-S257 WeakPolarHBondContact OD1-CB 3.18Å; N255-S257 PolarHBondContact OD1-N 3.43Å
258	T	92.1	Very high	96.5	Very high	71 Å²	71	65 Å²	65	44%	0.436	35%	0.346	S	S	.	.	S	Bend	trans	-73.7	-35.6	-175.9	55.1	0	0	0	0	113.5	V251 N255	V251-T258 PolarHBondContact O-OG1 3.47Å; N255-T258 HydrophobicContact CB-CG2 3.9Å; N255-T258 PolarHBondContact O-OG1 2.88Å
259	V	94.9	Very high	96.5	Very high	24 Å²	24	65.1 Å²	65.1	15%	0.145	35%	0.347	C	S	.	.	S	Bend	trans	-139.8	128.7	-172.8	-178.4	0	0	0	0	108.7	E261 K263 R264 M267	V259-E261 PolarHBondContact O-N 3.04Å; V259-K263 HydrophobicContact CG1-CB 3.98Å; V259-K263 HydrophobicContact CG1-CD 4.12Å; V259-K263 HydrophobicContact CG1-CG 3.95Å; V259-R264 HydrophobicContact CB-CB 4.21Å; V259-R264 HydrophobicContact CG1-CB 4Å; V259-M267 HydrophobicContact CG1-SD 4.32Å
260	P	96.8	Very high	96.6	Very high	97 Å²	97	67.8 Å²	67.8	63%	0.63	36%	0.355	S	S	*	.			trans	-53.5	135.9	177.5	-27.3	34.9	0	0	0	112.4	K262 K263 R264	P260-K262 PolarHBondContact O-N 2.88Å; P260-K263 WeakPolarHBondContact O-CA 3.27Å; P260-K263 WeakPolarHBondContact O-CB 3.45Å; P260-K263 PolarHBondContact O-N 3.46Å; P260-R264 PolarHBondContact O-N 2.95Å
261	E	94.9	Very high	96.6	Very high	153 Å²	153	64 Å²	64	72%	0.715	34%	0.336	S	S	*	.	H	α-helix	trans	-45.7	-52.2	-169.8	-177	175.3	-159.5	0	0	114	V259 K263 R264 A265	V259-E261 PolarHBondContact O-N 3.04Å; E261-K263 VanDerWaalsContact C-N 3.31Å; E261-K263 PolarHBondContact O-N 3.43Å; E261-R264 WeakPolarHBondContact O-CB 3.48Å; E261-R264 PolarHBondContact O-N 2.88Å; E261-R264 VanDerWaalsContact O-N 3.14Å; E261-A265 WeakPolarHBondContact O-CB 3.46Å; E261-A265 PolarHBondContact O-N 3.41Å
262	K	96.1	Very high	96.7	Very high	186 Å²	186	64 Å²	64	81%	0.809	34%	0.336	S	S	*	.	H	α-helix	trans	-58.5	-38.7	178.5	-174.6	173.6	-176.5	173	0	113.4	P260 Q266	P260-K262 PolarHBondContact O-N 2.88Å; K262-Q266 PolarHBondContact O-N 3.02Å
263	K	97.6	Very high	96.8	Very high	125 Å²	125	63.7 Å²	63.7	54%	0.543	33%	0.328	S	S	.	.	H	α-helix	trans	-73.9	-39.9	177.3	-176.6	177.7	177.4	-176.2	0	110.8	V259 P260 E261 Q266 M267	V259-K263 HydrophobicContact CG1-CB 3.98Å; V259-K263 HydrophobicContact CG1-CD 4.12Å; V259-K263 HydrophobicContact CG1-CG 3.95Å; P260-K263 WeakPolarHBondContact O-CA 3.27Å; P260-K263 WeakPolarHBondContact O-CB 3.45Å; P260-K263 PolarHBondContact O-N 3.46Å; E261-K263 VanDerWaalsContact C-N 3.31Å; E261-K263 PolarHBondContact O-N 3.43Å; K263-Q266 PolarHBondContact O-N 3.42Å; K263-M267 HydrophobicContact CD-SD 4.44Å; K263-M267 HydrophobicContact CG-CG 4.47Å; K263-M267 HydrophobicContact CG-SD 3.94Å; K263-M267 WeakPolarHBondContact O-CB 3.44Å; K263-M267 VanDerWaalsContact O-CG 3.26Å; K263-M267 WeakPolarHBondContact O-CG 3.23Å; K263-M267 PolarHBondContact O-N 3.23Å
264	R	97.9	Very high	96.9	Very high	21 Å²	21	68.2 Å²	68.2	8%	0.079	35%	0.347	C	S	.	.	H	α-helix	trans	-59.4	-47.7	174.3	173.3	172.9	176.6	99.4	3.3	111.2	V251 C253 N255 M256 V259 P260 E261 M267 L268	V251-R264 HydrophobicContact CB-CG 4Å; V251-R264 HydrophobicContact CG1-CB 4.42Å; V251-R264 HydrophobicContact CG1-CG 4.05Å; V251-R264 HydrophobicContact CG2-CG 4.32Å; V251-R264 PolarHBondContact O-NH1 2.87Å; C253-R264 VanDerWaalsContact O-CZ 3.31Å; C253-R264 PolarHBondContact O-NH1 3.42Å; C253-R264 PolarHBondContact O-NH2 2.81Å; N255-R264 PolarHBondContact O-NH1 3.32Å; M256-R264 VanDerWaalsContact SD-CZ 3.53Å; M256-R264 PolarHBondContact SD-NE 3.38Å; V259-R264 HydrophobicContact CB-CB 4.21Å; V259-R264 HydrophobicContact CG1-CB 4Å; P260-R264 PolarHBondContact O-N 2.95Å; E261-R264 WeakPolarHBondContact O-CB 3.48Å; E261-R264 PolarHBondContact O-N 2.88Å; E261-R264 VanDerWaalsContact O-N 3.14Å; R264-M267 PolarHBondContact O-N 3.49Å; R264-L268 HydrophobicContact CG-CD1 3.98Å; R264-L268 WeakPolarHBondContact O-CB 3.24Å; R264-L268 VanDerWaalsContact O-CG 3.29Å; R264-L268 WeakPolarHBondContact O-CG 3.44Å; R264-L268 PolarHBondContact O-N 3.49Å
265	A	97.9	Very high	97	Very high	17 Å²	17	68.1 Å²	68.1	14%	0.14	35%	0.347	C	S	.	.	H	α-helix	trans	-56.9	-49.6	175.8	0	0	0	0	0	112.2	E261 M267 L268 L269 L334	E261-A265 WeakPolarHBondContact O-CB 3.46Å; E261-A265 PolarHBondContact O-N 3.41Å; A265-M267 PolarHBondContact O-N 2.98Å; A265-L268 PolarHBondContact O-N 2.95Å; A265-L269 WeakPolarHBondContact O-CB 3.3Å; A265-L269 PolarHBondContact O-N 2.8Å; A265-L334 HydrophobicContact CB-CD1 3.88Å; A265-L334 HydrophobicContact CB-CD2 4Å
266	Q	98.3	Very high	97.1	Very high	133 Å²	133	65.4 Å²	65.4	62%	0.621	33%	0.333	S	S	*	.	H	α-helix	trans	-60.4	-45	176.5	-172.2	-179.3	11.3	0	0	112.4	K262 K263 L269 E270	K262-Q266 PolarHBondContact O-N 3.02Å; K263-Q266 PolarHBondContact O-N 3.42Å; Q266-L269 PolarHBondContact O-N 2.93Å; Q266-E270 WeakPolarHBondContact O-CG 3.46Å; Q266-E270 PolarHBondContact O-N 2.87Å
267	M	98.6	Very high	97.4	Very high	60 Å²	60	62.6 Å²	62.6	30%	0.296	32%	0.316	S	S	.	.	H	α-helix	trans	-64.5	-42.1	179.1	-72.6	174.6	65.1	0	0	112.2	L250 V251 V259 K263 R264 A265 S271	L250-M267 HydrophobicContact CB-CE 4.22Å; L250-M267 WeakPolarHBondContact O-CE 3.39Å; V251-M267 HydrophobicContact CG1-CB 3.81Å; V251-M267 HydrophobicContact CG1-CE 4.19Å; V251-M267 HydrophobicContact CG1-SD 4.43Å; V259-M267 HydrophobicContact CG1-SD 4.32Å; K263-M267 HydrophobicContact CD-SD 4.44Å; K263-M267 HydrophobicContact CG-CG 4.47Å; K263-M267 HydrophobicContact CG-SD 3.94Å; K263-M267 WeakPolarHBondContact O-CB 3.44Å; K263-M267 VanDerWaalsContact O-CG 3.26Å; K263-M267 WeakPolarHBondContact O-CG 3.23Å; K263-M267 PolarHBondContact O-N 3.23Å; R264-M267 PolarHBondContact O-N 3.49Å; A265-M267 PolarHBondContact O-N 2.98Å; M267-S271 WeakPolarHBondContact O-CB 3.44Å; M267-S271 PolarHBondContact O-N 3.38Å
268	L	98.7	Very high	97.7	Very high	17 Å²	17	60.6 Å²	60.6	9%	0.089	30%	0.297	C	S	.	.	H	α-helix	trans	-63.5	-45.7	175.6	-73.3	172	0	0	0	111.7	V242 A246 L248 V251 R264 A265 S271 A272	V242-L268 HydrophobicContact CG1-CB 3.88Å; A246-L268 HydrophobicContact CB-CB 4.33Å; A246-L268 HydrophobicContact CB-CD2 3.6Å; A246-L268 WeakPolarHBondContact CB-O 3.42Å; L248-L268 HydrophobicContact CD2-CD2 3.56Å; V251-L268 HydrophobicContact CG1-CD2 4.47Å; V251-L268 HydrophobicContact CG1-CG 4.26Å; V251-L268 HydrophobicContact CG2-CD2 3.74Å; V251-L268 HydrophobicContact CG2-CG 4.14Å; R264-L268 HydrophobicContact CG-CD1 3.98Å; R264-L268 WeakPolarHBondContact O-CB 3.24Å; R264-L268 VanDerWaalsContact O-CG 3.29Å; R264-L268 WeakPolarHBondContact O-CG 3.44Å; R264-L268 PolarHBondContact O-N 3.49Å; A265-L268 PolarHBondContact O-N 2.95Å; L268-S271 PolarHBondContact O-N 3.48Å; L268-A272 WeakPolarHBondContact O-CB 3.12Å; L268-A272 PolarHBondContact O-N 3.24Å
269	L	98.8	Very high	98	Very high	6 Å²	6	57.6 Å²	57.6	3%	0.031	28%	0.278	C	S	.	.	H	α-helix	trans	-63.9	-46.5	-178.9	-179.9	59.7	0	0	0	112.2	V242 A265 Q266 A272 K273 L334 E337 L338	V242-L269 HydrophobicContact CG2-CD1 3.93Å; A265-L269 WeakPolarHBondContact O-CB 3.3Å; A265-L269 PolarHBondContact O-N 2.8Å; Q266-L269 PolarHBondContact O-N 2.93Å; L269-A272 PolarHBondContact O-N 3.03Å; L269-K273 HydrophobicContact CD1-CD 4.43Å; L269-K273 HydrophobicContact CD1-CG 4.35Å; L269-K273 HydrophobicContact CG-CD 4.29Å; L269-K273 WeakPolarHBondContact O-CB 3.49Å; L269-K273 WeakPolarHBondContact O-CG 3.34Å; L269-K273 PolarHBondContact O-N 3.41Å; L269-L334 HydrophobicContact CD1-CB 4.47Å; L269-L334 WeakPolarHBondContact CD1-O 3.36Å; L269-L334 HydrophobicContact CD2-CD2 4.49Å; L269-E337 HydrophobicContact CD1-CB 4.09Å; L269-E337 HydrophobicContact CD2-CB 3.83Å; L269-E337 HydrophobicContact CD2-CG 4.28Å; L269-E337 WeakPolarHBondContact CD2-OE2 3.4Å; L269-L338 HydrophobicContact CD1-CB 3.96Å
270	E	98.8	Very high	98.2	Very high	99 Å²	99	57 Å²	57	46%	0.463	28%	0.275	S	S	.	.	H	α-helix	trans	-68.8	-35.1	178.2	-68.1	-53.7	122.4	0	0	112.3	Q266 K273 K274	Q266-E270 WeakPolarHBondContact O-CG 3.46Å; Q266-E270 PolarHBondContact O-N 2.87Å; E270-K273 WeakPolarHBondContact OE1-CD 3.33Å; E270-K273 IonicContact OE1-NZ 3.91Å; E270-K273 PolarHBondContact OE1-NZ 2.94Å; E270-K274 VanDerWaalsContact O-CB 3.26Å; E270-K274 WeakPolarHBondContact O-CB 3.27Å; E270-K274 PolarHBondContact O-N 2.87Å
271	S	98.9	Very high	98.2	Very high	9 Å²	9	52.5 Å²	52.5	6%	0.063	25%	0.246	C	C	.	.	H	α-helix	trans	-61.9	-48	171.3	-171.4	0	0	0	0	111.4	D247 M267 L268 K274 N275	D247-S271 PolarHBondContact N-OG 3.02Å; M267-S271 WeakPolarHBondContact O-CB 3.44Å; M267-S271 PolarHBondContact O-N 3.38Å; L268-S271 PolarHBondContact O-N 3.48Å; S271-K274 PolarHBondContact O-N 3.21Å; S271-N275 WeakPolarHBondContact O-CB 3.19Å; S271-N275 PolarHBondContact O-N 2.53Å; S271-N275 PolarHBondContact O-ND2 2.96Å
272	A	98.9	Very high	98.4	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-63	-45.4	177	0	0	0	0	0	112.8	V242 L245 A246 L268 L269 K274 N275 L276 L338	V242-A272 HydrophobicContact CB-CB 4.38Å; V242-A272 HydrophobicContact CG1-CB 4.16Å; V242-A272 HydrophobicContact CG2-CB 4.37Å; L245-A272 HydrophobicContact CB-CB 3.94Å; A246-A272 HydrophobicContact CB-CB 4.35Å; L268-A272 WeakPolarHBondContact O-CB 3.12Å; L268-A272 PolarHBondContact O-N 3.24Å; L269-A272 PolarHBondContact O-N 3.03Å; A272-K274 VanDerWaalsContact C-N 3.35Å; A272-K274 PolarHBondContact O-N 3.36Å; A272-N275 PolarHBondContact O-N 3.44Å; A272-L276 WeakPolarHBondContact O-CB 3.26Å; A272-L276 PolarHBondContact O-N 3.33Å; A272-L338 HydrophobicContact CB-CD1 4.1Å; A272-L338 HydrophobicContact CB-CD2 4.19Å
273	K	98.9	Very high	98.6	Very high	16 Å²	16	36.5 Å²	36.5	7%	0.07	17%	0.174	C	C	.	.	H	α-helix	trans	-59	-44.6	174.9	-74.3	174.2	-171.9	160.3	0	111.3	L269 E270 R277 E337 L338 Y341	L269-K273 HydrophobicContact CD1-CD 4.43Å; L269-K273 HydrophobicContact CD1-CG 4.35Å; L269-K273 HydrophobicContact CG-CD 4.29Å; L269-K273 WeakPolarHBondContact O-CB 3.49Å; L269-K273 WeakPolarHBondContact O-CG 3.34Å; L269-K273 PolarHBondContact O-N 3.41Å; E270-K273 WeakPolarHBondContact OE1-CD 3.33Å; E270-K273 IonicContact OE1-NZ 3.91Å; E270-K273 PolarHBondContact OE1-NZ 2.94Å; K273-R277 VanDerWaalsContact O-CB 3.3Å; K273-R277 WeakPolarHBondContact O-CB 3.38Å; K273-R277 PolarHBondContact O-N 3.46Å; K273-R277 VanDerWaalsContact O-N 3.1Å; K273-E337 IonicContact NZ-OE2 2.64Å; K273-L338 HydrophobicContact CG-CD1 3.93Å; K273-Y341 HydrophobicContact CB-CD1 4.06Å; K273-Y341 HydrophobicContact CB-CE1 3.75Å; K273-Y341 HydrophobicContact CD-CD1 4.39Å; K273-Y341 HydrophobicContact CD-CD2 4.27Å; K273-Y341 HydrophobicContact CD-CE2 4.49Å; K273-Y341 HydrophobicContact CD-CG 4.2Å; K273-Y341 HydrophobicContact CG-CD1 3.74Å; K273-Y341 HydrophobicContact CG-CD2 4.5Å; K273-Y341 HydrophobicContact CG-CE1 3.97Å; K273-Y341 HydrophobicContact CG-CG 4.01Å
274	K	98.8	Very high	98.6	Very high	100 Å²	100	30.6 Å²	30.6	44%	0.435	15%	0.148	S	C	.	.	H	α-helix	trans	-61	-56.4	175.8	177.9	-173.7	-179.3	-53.4	0	111	E270 S271 A272 L276 R277 D278	E270-K274 VanDerWaalsContact O-CB 3.26Å; E270-K274 WeakPolarHBondContact O-CB 3.27Å; E270-K274 PolarHBondContact O-N 2.87Å; S271-K274 PolarHBondContact O-N 3.21Å; A272-K274 VanDerWaalsContact C-N 3.35Å; A272-K274 PolarHBondContact O-N 3.36Å; K274-L276 VanDerWaalsContact C-N 3.33Å; K274-L276 PolarHBondContact O-N 2.8Å; K274-R277 PolarHBondContact O-N 3.19Å; K274-D278 VanDerWaalsContact CG-OD2 3.3Å; K274-D278 WeakPolarHBondContact CG-OD2 3.39Å; K274-D278 IonicContact NZ-OD2 3.56Å; K274-D278 PolarHBondContact NZ-OD2 2.87Å; K274-D278 WeakPolarHBondContact O-CB 3.37Å; K274-D278 PolarHBondContact O-N 2.87Å
275	N	98.8	Very high	98.6	Very high	14 Å²	14	30.5 Å²	30.5	8%	0.075	15%	0.15	C	C	.	.	H	α-helix	trans	-60.6	-42.5	-175.1	-70.7	-15.2	0	0	0	111.7	W145 L245 S271 A272 D278 M279	W145-N275 VanDerWaalsContact CD2-ND2 3.35Å; W145-N275 VanDerWaalsContact CE2-CG 3.49Å; W145-N275 WeakPolarHBondContact CZ2-ND2 3.23Å; L245-N275 VanDerWaalsContact O-CB 3.3Å; L245-N275 WeakPolarHBondContact O-CB 3.18Å; L245-N275 PolarHBondContact O-ND2 2.56Å; S271-N275 WeakPolarHBondContact O-CB 3.19Å; S271-N275 PolarHBondContact O-N 2.53Å; S271-N275 PolarHBondContact O-ND2 2.96Å; A272-N275 PolarHBondContact O-N 3.44Å; N275-D278 PolarHBondContact O-N 3.31Å; N275-M279 WeakPolarHBondContact O-CG 3.39Å; N275-M279 PolarHBondContact O-N 3.41Å
276	L	98.8	Very high	98.5	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-63.7	-41	175.7	-177.4	72.1	0	0	0	113.3	T173 L175 L245 A272 K274 F282 L338 A342	T173-L276 HydrophobicContact CG2-CD1 3.63Å; L175-L276 HydrophobicContact CD1-CD1 3.89Å; L175-L276 HydrophobicContact CD1-CD2 3.55Å; L175-L276 HydrophobicContact CD1-CG 4.38Å; L175-L276 HydrophobicContact CG-CD1 4.42Å; L245-L276 HydrophobicContact CD1-CB 4.42Å; L245-L276 HydrophobicContact CD1-CD1 4.03Å; A272-L276 WeakPolarHBondContact O-CB 3.26Å; A272-L276 PolarHBondContact O-N 3.33Å; K274-L276 VanDerWaalsContact C-N 3.33Å; K274-L276 PolarHBondContact O-N 2.8Å; L276-F282 HydrophobicContact CD1-CB 3.8Å; L276-F282 HydrophobicContact CD1-CD1 3.72Å; L276-F282 HydrophobicContact CD1-CD2 4.1Å; L276-F282 HydrophobicContact CD1-CE1 4.31Å; L276-F282 HydrophobicContact CD1-CG 3.61Å; L276-F282 HydrophobicContact CD2-CE1 4.36Å; L276-F282 HydrophobicContact CD2-CE2 4.46Å; L276-F282 HydrophobicContact CD2-CZ 4.31Å; L276-F282 HydrophobicContact CG-CD1 3.84Å; L276-F282 HydrophobicContact CG-CE1 3.96Å; L276-F282 HydrophobicContact CG-CG 4.17Å; L276-F282 HydrophobicContact CG-CZ 4.38Å; L276-L338 HydrophobicContact CD2-CD1 4.11Å; L276-A342 HydrophobicContact CD2-CB 3.51Å
277	R	98.6	Very high	98.4	Very high	51 Å²	51	28.9 Å²	28.9	19%	0.192	14%	0.137	C	C	.	.	H	α-helix	trans	-67.7	-40.9	177.2	-179.4	-172.6	64.3	-115.2	-3.4	111.1	D66 R69 K273 K274 M279 Y341 L345 R349	D66-R277 HydrophobicContact CB-CG 4.19Å; D66-R277 IonicContact OD1-NE 3.16Å; R69-R277 PolarHBondContact NH2-O 3.19Å; K273-R277 VanDerWaalsContact O-CB 3.3Å; K273-R277 WeakPolarHBondContact O-CB 3.38Å; K273-R277 PolarHBondContact O-N 3.46Å; K273-R277 VanDerWaalsContact O-N 3.1Å; K274-R277 PolarHBondContact O-N 3.19Å; R277-M279 VanDerWaalsContact C-N 3.32Å; R277-Y341 PolarHBondContact NH1-OH 3.12Å; R277-L345 HydrophobicContact CB-CD2 3.96Å; R277-L345 HydrophobicContact CG-CD2 3.95Å; R277-R349 PolarHBondContact O-NH2 2.78Å
278	D	98.3	Very high	98.3	Very high	74 Å²	74	26.8 Å²	26.8	40%	0.396	13%	0.126	S	C	.	.	H	α-helix	trans	-77.5	-16.7	-177	-61	-3.9	0	0	0	112.3	K274 N275	K274-D278 VanDerWaalsContact CG-OD2 3.3Å; K274-D278 WeakPolarHBondContact CG-OD2 3.39Å; K274-D278 IonicContact NZ-OD2 3.56Å; K274-D278 PolarHBondContact NZ-OD2 2.87Å; K274-D278 WeakPolarHBondContact O-CB 3.37Å; K274-D278 PolarHBondContact O-N 2.87Å; N275-D278 PolarHBondContact O-N 3.31Å
279	M	98.6	Very high	98.2	Very high	8 Å²	8	29.1 Å²	29.1	4%	0.039	13%	0.134	C	C	.	.	S	Bend	trans	-54.8	151.3	169.3	-83.3	-178	-171.5	0	0	112.6	R69 L84 Y171 T173 L245 N275 R277 F281	R69-M279 PolarHBondContact NE-O 3.05Å; L84-M279 HydrophobicContact CD1-CE 4.03Å; Y171-M279 WeakPolarHBondContact O-CB 3.5Å; T173-M279 HydrophobicContact CG2-CE 4.39Å; T173-M279 HydrophobicContact CG2-SD 3.65Å; L245-M279 HydrophobicContact CD2-CE 3.48Å; L245-M279 VanDerWaalsContact CD2-CE 3.48Å; L245-M279 HydrophobicContact CD2-SD 4.45Å; N275-M279 WeakPolarHBondContact O-CG 3.39Å; N275-M279 PolarHBondContact O-N 3.41Å; R277-M279 VanDerWaalsContact C-N 3.32Å; M279-F281 PolarHBondContact O-N 3.37Å
280	A	98.4	Very high	98.2	Very high	10 Å²	10	29.7 Å²	29.7	8%	0.083	14%	0.136	C	C	.	.	S	Bend	trans	-59	-47.3	176.1	0	0	0	0	0	111.4	R69 I71 Y170 Y171 I172 T298 F299	R69-A280 WeakPolarHBondContact CD-O 3.16Å; I71-A280 HydrophobicContact CD1-CB 3.42Å; I71-A280 VanDerWaalsContact CD1-CB 3.42Å; Y170-A280 HydrophobicContact CD1-CB 4.32Å; Y170-A280 HydrophobicContact CG-CB 4.41Å; Y171-A280 PolarHBondContact O-N 3.04Å; Y171-A280 VanDerWaalsContact O-N 3.12Å; I172-A280 HydrophobicContact CG2-CB 4.33Å; A280-T298 WeakPolarHBondContact O-CG2 3.2Å; A280-F299 HydrophobicContact CB-CE1 4.23Å; A280-F299 HydrophobicContact CB-CZ 3.84Å
281	F	98.8	Very high	98.1	Very high	4 Å²	4	25 Å²	25	2%	0.018	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	146.5	-178.8	165.2	-94.7	0	0	0	110.5	F94 I172 T173 M279 T291 L294 F295 T298 F299	F94-F281 HydrophobicContact CE2-CE1 4.32Å; F94-F281 HydrophobicContact CZ-CD1 4.47Å; F94-F281 AromaticContact CZ-CE1 3.81Å; F94-F281 HydrophobicContact CZ-CE1 3.81Å; I172-F281 WeakPolarHBondContact CA-O 3.49Å; I172-F281 HydrophobicContact CB-CD1 4.18Å; I172-F281 WeakPolarHBondContact CB-O 3.34Å; I172-F281 HydrophobicContact CG2-CB 3.81Å; I172-F281 HydrophobicContact CG2-CD1 4.19Å; T173-F281 PolarHBondContact N-O 3.13Å; M279-F281 PolarHBondContact O-N 3.37Å; F281-T291 HydrophobicContact CZ-CG2 4.01Å; F281-T291 WeakPolarHBondContact CZ-O 3.12Å; F281-L294 HydrophobicContact CD2-CB 4.15Å; F281-L294 HydrophobicContact CE2-CB 3.64Å; F281-F295 HydrophobicContact CD1-CB 4.44Å; F281-F295 AromaticContact CD1-CD2 3.8Å; F281-F295 HydrophobicContact CD1-CD2 3.8Å; F281-F295 HydrophobicContact CD2-CB 4.3Å; F281-F295 HydrophobicContact CE1-CB 4.07Å; F281-F295 AromaticContact CE1-CD2 3.92Å; F281-F295 HydrophobicContact CE1-CD2 3.92Å; F281-F295 HydrophobicContact CE2-CB 3.92Å; F281-F295 VanDerWaalsContact CE2-N 3.28Å; F281-F295 HydrophobicContact CG-CD2 4.3Å; F281-F295 HydrophobicContact CZ-CB 3.79Å; F281-F295 HydrophobicContact CZ-CD2 4.5Å; F281-T298 HydrophobicContact CB-CG2 4.21Å; F281-F299 HydrophobicContact CB-CE2 3.8Å; F281-F299 HydrophobicContact CB-CZ 4.26Å; F281-F299 HydrophobicContact CG-CE2 4.41Å
282	F	98.9	Very high	98.1	Very high	3 Å²	3	24.8 Å²	24.8	1%	0.013	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	152	161.2	70.8	-92.4	0	0	0	110.3	T173 L276 L284 A342 L345 F346 R349	T173-F282 HydrophobicContact CG2-CB 3.71Å; T173-F282 VanDerWaalsContact O-CA 3.31Å; T173-F282 WeakPolarHBondContact O-CA 3.49Å; L276-F282 HydrophobicContact CD1-CB 3.8Å; L276-F282 HydrophobicContact CD1-CD1 3.72Å; L276-F282 HydrophobicContact CD1-CD2 4.1Å; L276-F282 HydrophobicContact CD1-CE1 4.31Å; L276-F282 HydrophobicContact CD1-CG 3.61Å; L276-F282 HydrophobicContact CD2-CE1 4.36Å; L276-F282 HydrophobicContact CD2-CE2 4.46Å; L276-F282 HydrophobicContact CD2-CZ 4.31Å; L276-F282 HydrophobicContact CG-CD1 3.84Å; L276-F282 HydrophobicContact CG-CE1 3.96Å; L276-F282 HydrophobicContact CG-CG 4.17Å; L276-F282 HydrophobicContact CG-CZ 4.38Å; F282-L284 HydrophobicContact CD2-CD2 4.28Å; F282-L284 HydrophobicContact CE2-CD2 4.14Å; F282-A342 HydrophobicContact CE2-CB 4.05Å; F282-A342 WeakPolarHBondContact CE2-O 3.04Å; F282-A342 HydrophobicContact CZ-CB 4.32Å; F282-A342 WeakPolarHBondContact CZ-O 3.05Å; F282-L345 HydrophobicContact CE1-CD2 3.81Å; F282-L345 HydrophobicContact CE1-CG 4.17Å; F282-L345 HydrophobicContact CZ-CB 4.28Å; F282-L345 HydrophobicContact CZ-CD2 4.07Å; F282-L345 HydrophobicContact CZ-CG 4.12Å; F282-F346 HydrophobicContact CD2-CD2 4.46Å; F282-F346 HydrophobicContact CE2-CB 3.88Å; F282-F346 HydrophobicContact CE2-CD2 4.19Å; F282-F346 HydrophobicContact CE2-CG 4.48Å; F282-F346 HydrophobicContact CZ-CB 4.13Å; F282-R349 VanDerWaalsContact CE1-NH1 3.34Å
283	G	98.7	Very high	98.1	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	165.8	176.6	0	0	0	0	0	113	T173 L174 L175 T291	T173-G283 PolarHBondContact O-N 3.25Å; T173-G283 VanDerWaalsContact O-N 3.09Å; L174-G283 WeakPolarHBondContact CA-O 3.36Å; L175-G283 PolarHBondContact N-O 2.04Å; G283-T291 WeakPolarHBondContact CA-OG1 3.46Å
284	L	98.6	Very high	98.1	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	138.4	175.9	-57.3	-176.3	0	0	0	109.8	L175 F282 E286 Y287 T291 Y339 K343 F346	L175-L284 HydrophobicContact CB-CD2 3.86Å; F282-L284 HydrophobicContact CD2-CD2 4.28Å; F282-L284 HydrophobicContact CE2-CD2 4.14Å; L284-E286 PolarHBondContact O-N 3.29Å; L284-Y287 HydrophobicContact CB-CD2 3.81Å; L284-Y287 HydrophobicContact CD1-CD2 3.74Å; L284-Y287 HydrophobicContact CD1-CE2 4.02Å; L284-Y287 HydrophobicContact CG-CD2 4.4Å; L284-Y287 PolarHBondContact O-N 3.12Å; L284-T291 PolarHBondContact N-OG1 2.9Å; L284-T291 VanDerWaalsContact N-OG1 3.09Å; L284-T291 PolarHBondContact O-OG1 2.88Å; L284-T291 VanDerWaalsContact O-OG1 3.11Å; L284-Y339 HydrophobicContact CD2-CE2 4.01Å; L284-K343 HydrophobicContact CD1-CB 4.37Å; L284-K343 HydrophobicContact CD1-CG 4.43Å; L284-F346 HydrophobicContact CD1-CB 3.78Å; L284-F346 HydrophobicContact CD1-CD1 3.52Å; L284-F346 HydrophobicContact CD1-CD2 4.35Å; L284-F346 HydrophobicContact CD1-CE1 4.14Å; L284-F346 HydrophobicContact CD1-CG 3.63Å; L284-F346 HydrophobicContact CG-CB 4.21Å; L284-F346 HydrophobicContact CG-CD1 3.97Å; L284-F346 HydrophobicContact CG-CD2 4.01Å; L284-F346 HydrophobicContact CG-CE1 4.29Å; L284-F346 HydrophobicContact CG-CE2 4.34Å; L284-F346 HydrophobicContact CG-CG 3.81Å; L284-F346 HydrophobicContact CG-CZ 4.46Å
285	T	97.6	Very high	98.1	Very high	19 Å²	19	19.6 Å²	19.6	12%	0.117	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-31.8	-175.1	-60.1	0	0	0	0	112.5	T89 L175 R176 Y287 Q288 Q309	T89-T285 PolarHBondContact O-OG1 3.28Å; L175-T285 PolarHBondContact O-N 3.47Å; L175-T285 PolarHBondContact O-OG1 3.31Å; R176-T285 HydrophobicContact CG-CG2 4.26Å; T285-Y287 VanDerWaalsContact C-N 3.32Å; T285-Q288 PolarHBondContact O-NE2 3.23Å; T285-Q309 PolarHBondContact O-NE2 3.49Å
286	E	95.6	Very high	98	Very high	49 Å²	49	19.4 Å²	19.4	23%	0.229	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-13.6	-175.9	-61	74.7	-169.9	0	0	112.8	R176 D177 L284 Q309 Y339	R176-E286 WeakPolarHBondContact CG-OE1 3.38Å; D177-E286 WeakPolarHBondContact CB-OE1 3.32Å; D177-E286 PolarHBondContact N-OE1 2.96Å; L284-E286 PolarHBondContact O-N 3.29Å; E286-Q309 PolarHBondContact O-OE1 3.46Å; E286-Y339 PolarHBondContact OE2-OH 3.35Å; E286-Y339 VanDerWaalsContact OE2-OH 3.07Å
287	Y	96.7	Very high	98	Very high	67 Å²	67	22.8 Å²	22.8	26%	0.263	10%	0.101	S	C	.	.			trans	-130.6	50.7	-171.2	-59	-73.6	0	0	0	112.1	L284 T285 R289 K290 T291 K343 F346	L284-Y287 HydrophobicContact CB-CD2 3.81Å; L284-Y287 HydrophobicContact CD1-CD2 3.74Å; L284-Y287 HydrophobicContact CD1-CE2 4.02Å; L284-Y287 HydrophobicContact CG-CD2 4.4Å; L284-Y287 PolarHBondContact O-N 3.12Å; T285-Y287 VanDerWaalsContact C-N 3.32Å; Y287-R289 VanDerWaalsContact C-N 3.32Å; Y287-R289 PolarHBondContact O-N 2.92Å; Y287-R289 VanDerWaalsContact O-N 3.16Å; Y287-K290 HydrophobicContact CD1-CD 4.22Å; Y287-K290 PolarHBondContact O-N 2.93Å; Y287-T291 WeakPolarHBondContact O-CB 3.13Å; Y287-T291 PolarHBondContact O-N 2.9Å; Y287-T291 PolarHBondContact O-OG1 3.47Å; Y287-K343 WeakPolarHBondContact OH-CE 3.4Å; Y287-F346 HydrophobicContact CD2-CE1 4.26Å; Y287-F346 HydrophobicContact CG-CE1 4.2Å
288	Q	96.9	Very high	97.9	Very high	16 Å²	16	20.6 Å²	20.6	8%	0.075	9%	0.094	C	C	.	.	H	α-helix	trans	-51.6	-42.8	-171.9	-69	-62.4	-39.6	0	0	114.1	T285 T291 Q292 F307 Q309	T285-Q288 PolarHBondContact O-NE2 3.23Å; Q288-T291 WeakPolarHBondContact O-CB 3.43Å; Q288-T291 PolarHBondContact O-N 2.7Å; Q288-Q292 PolarHBondContact O-N 3.36Å; Q288-F307 HydrophobicContact CB-CB 4.06Å; Q288-F307 WeakPolarHBondContact O-CD2 3.26Å; Q288-Q309 VanDerWaalsContact CB-OE1 3.3Å
289	R	96.4	Very high	97.9	Very high	66 Å²	66	17.2 Å²	17.2	25%	0.249	8%	0.075	C	C	.	.	H	α-helix	trans	-69.2	-36.6	177.3	-71.4	-72.5	179.2	124.1	-1	113.9	I48 P50 Y287 Q292 F293 P306 F307	I48-R289 PolarHBondContact O-NH1 2.98Å; P50-R289 HydrophobicContact CG-CB 4.05Å; Y287-R289 VanDerWaalsContact C-N 3.32Å; Y287-R289 PolarHBondContact O-N 2.92Å; Y287-R289 VanDerWaalsContact O-N 3.16Å; R289-Q292 PolarHBondContact O-N 3.05Å; R289-F293 WeakPolarHBondContact O-CB 3.34Å; R289-F293 PolarHBondContact O-N 3.47Å; R289-P306 VanDerWaalsContact CZ-CB 3.47Å; R289-F307 WeakPolarHBondContact CD-O 3.4Å; R289-F307 PolarHBondContact NE-O 2.86Å
290	K	97.6	Very high	97.9	Very high	19 Å²	19	24.5 Å²	24.5	8%	0.083	10%	0.102	C	C	.	.	H	α-helix	trans	-70.9	-35.7	174.9	-61	-174.6	171.8	173.6	0	110.9	Y287 F293 L294 F346 Y350	Y287-K290 HydrophobicContact CD1-CD 4.22Å; Y287-K290 PolarHBondContact O-N 2.93Å; K290-F293 PolarHBondContact O-N 2.91Å; K290-L294 PolarHBondContact O-N 3.35Å; K290-F346 HydrophobicContact CB-CE1 3.72Å; K290-F346 HydrophobicContact CB-CZ 3.74Å; K290-F346 HydrophobicContact CD-CE1 4.3Å; K290-Y350 HydrophobicContact CB-CD2 3.72Å; K290-Y350 HydrophobicContact CB-CE2 3.83Å; K290-Y350 HydrophobicContact CB-CG 4.27Å; K290-Y350 HydrophobicContact CD-CD1 3.89Å; K290-Y350 HydrophobicContact CD-CD2 4.24Å; K290-Y350 HydrophobicContact CD-CE1 4.05Å; K290-Y350 HydrophobicContact CD-CE2 4.41Å; K290-Y350 HydrophobicContact CD-CG 3.99Å; K290-Y350 HydrophobicContact CG-CD1 4.22Å; K290-Y350 HydrophobicContact CG-CD2 3.86Å; K290-Y350 HydrophobicContact CG-CE1 4.05Å; K290-Y350 HydrophobicContact CG-CE2 3.69Å; K290-Y350 HydrophobicContact CG-CG 4.13Å
291	T	98.4	Very high	97.8	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-61.7	-46.9	172.8	-71.3	0	0	0	0	110.6	F94 L174 F281 G283 L284 Y287 Q288 F295 F307	F94-T291 HydrophobicContact CD2-CG2 4.49Å; F94-T291 HydrophobicContact CE2-CG2 4.35Å; L174-T291 HydrophobicContact CD2-CG2 4.02Å; F281-T291 HydrophobicContact CZ-CG2 4.01Å; F281-T291 WeakPolarHBondContact CZ-O 3.12Å; G283-T291 WeakPolarHBondContact CA-OG1 3.46Å; L284-T291 PolarHBondContact N-OG1 2.9Å; L284-T291 VanDerWaalsContact N-OG1 3.09Å; L284-T291 PolarHBondContact O-OG1 2.88Å; L284-T291 VanDerWaalsContact O-OG1 3.11Å; Y287-T291 WeakPolarHBondContact O-CB 3.13Å; Y287-T291 PolarHBondContact O-N 2.9Å; Y287-T291 PolarHBondContact O-OG1 3.47Å; Q288-T291 WeakPolarHBondContact O-CB 3.43Å; Q288-T291 PolarHBondContact O-N 2.7Å; T291-F295 WeakPolarHBondContact O-CB 3.32Å; T291-F295 PolarHBondContact O-N 3.34Å; T291-F295 VanDerWaalsContact O-N 3.12Å; T291-F307 HydrophobicContact CG2-CE2 4.16Å
292	Q	98.4	Very high	97.7	Very high	4 Å²	4	32.6 Å²	32.6	2%	0.019	13%	0.132	C	C	.	.	H	α-helix	trans	-56.3	-55.7	172.3	-171.2	-165.6	-26.3	0	0	111	F49 Q288 R289 L294 F295 E296 F303 F307	F49-Q292 HydrophobicContact CE1-CB 4.47Å; F49-Q292 HydrophobicContact CE1-CG 4.37Å; Q288-Q292 PolarHBondContact O-N 3.36Å; R289-Q292 PolarHBondContact O-N 3.05Å; Q292-L294 PolarHBondContact O-N 3.41Å; Q292-F295 PolarHBondContact O-N 2.69Å; Q292-E296 HydrophobicContact CG-CG 4.45Å; Q292-E296 PolarHBondContact NE2-OE1 2.84Å; Q292-E296 WeakPolarHBondContact O-CG 3.3Å; Q292-E296 PolarHBondContact O-N 3.03Å; Q292-F303 HydrophobicContact CG-CB 4.48Å; Q292-F303 HydrophobicContact CG-CD2 3.49Å; Q292-F303 VanDerWaalsContact CG-CD2 3.49Å; Q292-F303 HydrophobicContact CG-CE2 4.09Å; Q292-F303 HydrophobicContact CG-CG 4.31Å; Q292-F307 HydrophobicContact CB-CB 4.25Å; Q292-F307 HydrophobicContact CB-CD1 4.08Å; Q292-F307 HydrophobicContact CB-CD2 3.85Å; Q292-F307 HydrophobicContact CB-CE1 4.38Å; Q292-F307 HydrophobicContact CB-CE2 4.16Å; Q292-F307 HydrophobicContact CB-CG 3.8Å; Q292-F307 HydrophobicContact CB-CZ 4.42Å; Q292-F307 HydrophobicContact CG-CD1 3.88Å; Q292-F307 HydrophobicContact CG-CE1 4.06Å; Q292-F307 HydrophobicContact CG-CG 4.13Å; Q292-F307 HydrophobicContact CG-CZ 4.45Å
293	F	98.2	Very high	97.6	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-51.7	-54.9	-179.2	178	-94.3	0	0	0	112.5	F49 R289 K290 F295 E296 R297 Y350 T353 R354 E357	F49-F293 HydrophobicContact CB-CD2 4.09Å; F49-F293 HydrophobicContact CD1-CB 3.59Å; F49-F293 AromaticContact CD1-CD2 3.91Å; F49-F293 HydrophobicContact CD1-CD2 3.91Å; F49-F293 HydrophobicContact CD1-CG 4.21Å; F49-F293 AromaticContact CD2-CD2 3.73Å; F49-F293 HydrophobicContact CD2-CD2 3.73Å; F49-F293 HydrophobicContact CD2-CE2 4.37Å; F49-F293 HydrophobicContact CE1-CB 3.78Å; F49-F293 HydrophobicContact CE1-CD2 4.23Å; F49-F293 HydrophobicContact CE2-CD2 4.08Å; F49-F293 HydrophobicContact CG-CB 4.17Å; F49-F293 AromaticContact CG-CD2 3.63Å; F49-F293 HydrophobicContact CG-CD2 3.63Å; F49-F293 HydrophobicContact CG-CG 4.3Å; F49-F293 HydrophobicContact CZ-CD2 4.3Å; R289-F293 WeakPolarHBondContact O-CB 3.34Å; R289-F293 PolarHBondContact O-N 3.47Å; K290-F293 PolarHBondContact O-N 2.91Å; F293-F295 VanDerWaalsContact C-N 3.34Å; F293-F295 PolarHBondContact O-N 3.25Å; F293-E296 PolarHBondContact O-N 3.07Å; F293-R297 HydrophobicContact CE1-CG 4.41Å; F293-R297 HydrophobicContact CE2-CG 4.46Å; F293-R297 VanDerWaalsContact CE2-CZ 3.41Å; F293-R297 HydrophobicContact CZ-CG 4.15Å; F293-R297 WeakPolarHBondContact O-CD 3.35Å; F293-R297 PolarHBondContact O-N 2.86Å; F293-Y350 HydrophobicContact CB-CD2 4.5Å; F293-Y350 HydrophobicContact CB-CE2 3.87Å; F293-Y350 AromaticContact CD1-CD2 3.59Å; F293-Y350 HydrophobicContact CD1-CD2 3.59Å; F293-Y350 AromaticContact CD1-CE2 3.4Å; F293-Y350 HydrophobicContact CD1-CE2 3.4Å; F293-Y350 HydrophobicContact CD2-CE2 4.49Å; F293-Y350 HydrophobicContact CE1-CD2 4.18Å; F293-Y350 HydrophobicContact CE1-CE2 4.06Å; F293-Y350 HydrophobicContact CG-CD2 4.28Å; F293-Y350 AromaticContact CG-CE2 3.67Å; F293-Y350 HydrophobicContact CG-CE2 3.67Å; F293-T353 HydrophobicContact CE1-CG2 3.61Å; F293-T353 HydrophobicContact CZ-CG2 3.94Å; F293-R354 HydrophobicContact CD1-CG 4.49Å; F293-R354 HydrophobicContact CE1-CG 3.73Å; F293-R354 VanDerWaalsContact CE2-CD 3.42Å; F293-R354 HydrophobicContact CE2-CG 4.37Å; F293-R354 HydrophobicContact CZ-CG 3.68Å; F293-E357 WeakPolarHBondContact CE2-OE2 3.23Å; F293-E357 WeakPolarHBondContact CZ-OE2 3.45Å
294	L	98.5	Very high	97.5	Very high	7 Å²	7	37.5 Å²	37.5	4%	0.037	16%	0.157	C	C	.	.	H	α-helix	trans	-65.3	-36.5	-176.5	-79.8	176.4	0	0	0	112.2	F281 K290 Q292 T298 F346 R349 Y350	F281-L294 HydrophobicContact CD2-CB 4.15Å; F281-L294 HydrophobicContact CE2-CB 3.64Å; K290-L294 PolarHBondContact O-N 3.35Å; Q292-L294 PolarHBondContact O-N 3.41Å; L294-T298 VanDerWaalsContact O-CB 3.25Å; L294-T298 WeakPolarHBondContact O-CB 3.25Å; L294-T298 PolarHBondContact O-N 3.3Å; L294-T298 PolarHBondContact O-OG1 3.17Å; L294-F346 HydrophobicContact CD1-CD2 3.9Å; L294-F346 HydrophobicContact CD1-CE2 3.71Å; L294-F346 HydrophobicContact CD1-CG 4.5Å; L294-F346 HydrophobicContact CD1-CZ 4.18Å; L294-R349 HydrophobicContact CD1-CB 4.05Å; L294-R349 HydrophobicContact CD2-CB 4.26Å; L294-Y350 HydrophobicContact CG-CD2 4.25Å
295	F	98.6	Very high	97.4	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-62.4	-48.3	174.5	-179.6	-84.1	0	0	0	111.4	I81 F94 L98 I172 F281 T291 Q292 F293 R297 T298 F299 L301 F303	I81-F295 HydrophobicContact CD1-CZ 4.32Å; F94-F295 HydrophobicContact CE2-CD2 4.42Å; F94-F295 AromaticContact CZ-CD2 3.91Å; F94-F295 HydrophobicContact CZ-CD2 3.91Å; F94-F295 HydrophobicContact CZ-CE2 4.22Å; L98-F295 HydrophobicContact CD2-CD2 4.48Å; L98-F295 HydrophobicContact CD2-CE1 4.34Å; L98-F295 HydrophobicContact CD2-CE2 3.58Å; L98-F295 HydrophobicContact CD2-CZ 3.49Å; L98-F295 VanDerWaalsContact CD2-CZ 3.49Å; I172-F295 HydrophobicContact CD1-CE2 3.95Å; F281-F295 HydrophobicContact CD1-CB 4.44Å; F281-F295 AromaticContact CD1-CD2 3.8Å; F281-F295 HydrophobicContact CD1-CD2 3.8Å; F281-F295 HydrophobicContact CD2-CB 4.3Å; F281-F295 HydrophobicContact CE1-CB 4.07Å; F281-F295 AromaticContact CE1-CD2 3.92Å; F281-F295 HydrophobicContact CE1-CD2 3.92Å; F281-F295 HydrophobicContact CE2-CB 3.92Å; F281-F295 VanDerWaalsContact CE2-N 3.28Å; F281-F295 HydrophobicContact CG-CD2 4.3Å; F281-F295 HydrophobicContact CZ-CB 3.79Å; F281-F295 HydrophobicContact CZ-CD2 4.5Å; T291-F295 WeakPolarHBondContact O-CB 3.32Å; T291-F295 PolarHBondContact O-N 3.34Å; T291-F295 VanDerWaalsContact O-N 3.12Å; Q292-F295 PolarHBondContact O-N 2.69Å; F293-F295 VanDerWaalsContact C-N 3.34Å; F293-F295 PolarHBondContact O-N 3.25Å; F295-R297 VanDerWaalsContact C-N 3.32Å; F295-R297 PolarHBondContact O-N 3.12Å; F295-T298 PolarHBondContact O-N 3.26Å; F295-F299 HydrophobicContact CD1-CD2 4.37Å; F295-F299 AromaticContact CD2-CD2 3.75Å; F295-F299 HydrophobicContact CD2-CD2 3.75Å; F295-F299 AromaticContact CD2-CE2 3.8Å; F295-F299 HydrophobicContact CD2-CE2 3.8Å; F295-F299 HydrophobicContact CE1-CD2 4.21Å; F295-F299 AromaticContact CE2-CD2 3.55Å; F295-F299 HydrophobicContact CE2-CD2 3.55Å; F295-F299 AromaticContact CE2-CE2 3.61Å; F295-F299 HydrophobicContact CE2-CE2 3.61Å; F295-F299 HydrophobicContact CG-CD2 4.16Å; F295-F299 AromaticContact CZ-CD2 3.8Å; F295-F299 HydrophobicContact CZ-CD2 3.8Å; F295-F299 HydrophobicContact CZ-CE2 4.28Å; F295-F299 PolarHBondContact O-N 3.4Å; F295-F299 VanDerWaalsContact O-N 3.08Å; F295-L301 HydrophobicContact CE1-CB 4.37Å; F295-L301 HydrophobicContact CE1-CD1 4.09Å; F295-L301 HydrophobicContact CZ-CD1 4.34Å; F295-F303 HydrophobicContact CB-CE2 4.16Å; F295-F303 HydrophobicContact CD1-CD2 4.45Å; F295-F303 AromaticContact CD1-CE2 3.33Å; F295-F303 HydrophobicContact CD1-CE2 3.33Å; F295-F303 AromaticContact CD1-CZ 3.38Å; F295-F303 HydrophobicContact CD1-CZ 3.38Å; F295-F303 HydrophobicContact CE1-CE1 4.46Å; F295-F303 AromaticContact CE1-CE2 3.98Å; F295-F303 HydrophobicContact CE1-CE2 3.98Å; F295-F303 AromaticContact CE1-CZ 3.62Å; F295-F303 HydrophobicContact CE1-CZ 3.62Å; F295-F303 AromaticContact CG-CE2 3.95Å; F295-F303 HydrophobicContact CG-CE2 3.95Å; F295-F303 AromaticContact CG-CZ 4Å; F295-F303 HydrophobicContact CG-CZ 4Å; F295-F303 HydrophobicContact CZ-CZ 4.39Å
296	E	98.1	Very high	97.3	Very high	11 Å²	11	47.6 Å²	47.6	5%	0.051	20%	0.2	C	C	.	.	H	α-helix	trans	-58.4	-44.5	-179.9	-71.7	-178.7	171.8	0	0	111.7	F49 Q292 F293 R300 L301 F303	F49-E296 WeakPolarHBondContact CZ-OE2 3.4Å; Q292-E296 HydrophobicContact CG-CG 4.45Å; Q292-E296 PolarHBondContact NE2-OE1 2.84Å; Q292-E296 WeakPolarHBondContact O-CG 3.3Å; Q292-E296 PolarHBondContact O-N 3.03Å; F293-E296 PolarHBondContact O-N 3.07Å; E296-R300 CarbonylContact O-C 3.53Å; E296-R300 WeakPolarHBondContact O-CA 3.39Å; E296-R300 PolarHBondContact O-N 3.29Å; E296-L301 CarbonylContact C-O 3.5Å; E296-L301 WeakPolarHBondContact CA-O 3.26Å; E296-L301 WeakPolarHBondContact CB-O 3.49Å; E296-L301 WeakPolarHBondContact CG-O 3.33Å; E296-L301 PolarHBondContact O-N 3.04Å; E296-F303 HydrophobicContact CG-CD2 3.71Å; E296-F303 HydrophobicContact CG-CE2 4.12Å; E296-F303 WeakPolarHBondContact OE1-CD2 3.27Å; E296-F303 PolarHBondContact OE1-N 3.49Å
297	R	97.4	Very high	97.3	Very high	70 Å²	70	45.2 Å²	45.2	26%	0.264	19%	0.189	S	C	.	.	H	α-helix	trans	-72.6	-35.7	-180	-82	69.5	-173.9	166.9	-6.7	112	F293 F295 T353 E357	F293-R297 HydrophobicContact CE1-CG 4.41Å; F293-R297 HydrophobicContact CE2-CG 4.46Å; F293-R297 VanDerWaalsContact CE2-CZ 3.41Å; F293-R297 HydrophobicContact CZ-CG 4.15Å; F293-R297 WeakPolarHBondContact O-CD 3.35Å; F293-R297 PolarHBondContact O-N 2.86Å; F295-R297 VanDerWaalsContact C-N 3.32Å; F295-R297 PolarHBondContact O-N 3.12Å; R297-T353 HydrophobicContact CB-CG2 3.92Å; R297-T353 HydrophobicContact CG-CG2 3.9Å; R297-E357 IonicContact CZ-OE1 2.71Å; R297-E357 VanDerWaalsContact CZ-OE1 3.24Å; R297-E357 IonicContact NE-OE1 3.51Å; R297-E357 PolarHBondContact NE-OE1 3.02Å; R297-E357 IonicContact NE-OE2 2.72Å; R297-E357 IonicContact NH2-OE1 3.9Å; R297-E357 PolarHBondContact NH2-OE1 3.25Å; R297-E357 IonicContact NH2-OE2 2.71Å
298	T	98.3	Very high	97.1	Very high	5 Å²	5	46.9 Å²	46.9	3%	0.031	20%	0.201	C	C	.	.	H	α-helix	trans	-64.5	-48.7	179.1	-60.4	0	0	0	0	111.8	R69 I71 A280 F281 L294 F295	R69-T298 HydrophobicContact CB-CG2 4.18Å; R69-T298 VanDerWaalsContact O-CA 3.26Å; R69-T298 WeakPolarHBondContact O-CA 3.45Å; R69-T298 PolarHBondContact O-OG1 2.97Å; I71-T298 WeakPolarHBondContact CA-O 3.4Å; I71-T298 WeakPolarHBondContact CB-O 3.49Å; I71-T298 HydrophobicContact CD1-CG2 3.81Å; I71-T298 HydrophobicContact CG1-CG2 4.11Å; I71-T298 PolarHBondContact N-O 3.16Å; A280-T298 WeakPolarHBondContact O-CG2 3.2Å; F281-T298 HydrophobicContact CB-CG2 4.21Å; L294-T298 VanDerWaalsContact O-CB 3.25Å; L294-T298 WeakPolarHBondContact O-CB 3.25Å; L294-T298 PolarHBondContact O-N 3.3Å; L294-T298 PolarHBondContact O-OG1 3.17Å; F295-T298 PolarHBondContact O-N 3.26Å
299	F	98.3	Very high	96.9	Very high	3 Å²	3	49.5 Å²	49.5	1%	0.013	21%	0.213	C	C	.	.	H	α-helix	trans	-98.9	0.6	-175.2	-63.2	-73.4	0	0	0	114.2	I71 F73 I81 Y170 I172 A280 F281 F295 L301	I71-F299 HydrophobicContact CB-CD1 4.49Å; I71-F299 HydrophobicContact CD1-CD1 4.46Å; I71-F299 HydrophobicContact CD1-CE1 3.91Å; I71-F299 HydrophobicContact CD1-CZ 4.44Å; F73-F299 HydrophobicContact CB-CB 4.29Å; F73-F299 HydrophobicContact CB-CD1 4.06Å; F73-F299 HydrophobicContact CD2-CD1 4.29Å; F73-F299 HydrophobicContact CG-CD1 4.15Å; I81-F299 HydrophobicContact CD1-CD1 3.88Å; I81-F299 HydrophobicContact CD1-CD2 4.34Å; I81-F299 HydrophobicContact CD1-CE1 3.96Å; I81-F299 HydrophobicContact CD1-CE2 4.4Å; I81-F299 HydrophobicContact CD1-CG 4.08Å; I81-F299 HydrophobicContact CD1-CZ 4.22Å; I81-F299 HydrophobicContact CG1-CD1 4.26Å; I81-F299 HydrophobicContact CG1-CE1 3.92Å; I81-F299 HydrophobicContact CG1-CZ 4.26Å; Y170-F299 HydrophobicContact CD2-CE1 4.29Å; Y170-F299 HydrophobicContact CG-CE1 4.14Å; I172-F299 HydrophobicContact CG2-CE2 3.93Å; I172-F299 HydrophobicContact CG2-CZ 3.65Å; A280-F299 HydrophobicContact CB-CE1 4.23Å; A280-F299 HydrophobicContact CB-CZ 3.84Å; F281-F299 HydrophobicContact CB-CE2 3.8Å; F281-F299 HydrophobicContact CB-CZ 4.26Å; F281-F299 HydrophobicContact CG-CE2 4.41Å; F295-F299 HydrophobicContact CD1-CD2 4.37Å; F295-F299 AromaticContact CD2-CD2 3.75Å; F295-F299 HydrophobicContact CD2-CD2 3.75Å; F295-F299 AromaticContact CD2-CE2 3.8Å; F295-F299 HydrophobicContact CD2-CE2 3.8Å; F295-F299 HydrophobicContact CE1-CD2 4.21Å; F295-F299 AromaticContact CE2-CD2 3.55Å; F295-F299 HydrophobicContact CE2-CD2 3.55Å; F295-F299 AromaticContact CE2-CE2 3.61Å; F295-F299 HydrophobicContact CE2-CE2 3.61Å; F295-F299 HydrophobicContact CG-CD2 4.16Å; F295-F299 AromaticContact CZ-CD2 3.8Å; F295-F299 HydrophobicContact CZ-CD2 3.8Å; F295-F299 HydrophobicContact CZ-CE2 4.28Å; F295-F299 PolarHBondContact O-N 3.4Å; F295-F299 VanDerWaalsContact O-N 3.08Å; F299-L301 HydrophobicContact CB-CB 4.45Å; F299-L301 HydrophobicContact CB-CD1 3.83Å; F299-L301 HydrophobicContact CB-CG 3.94Å; F299-L301 PolarHBondContact O-N 2.97Å
300	R	96.6	Very high	96.4	Very high	161 Å²	161	54.6 Å²	54.6	61%	0.608	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.1	28.7	-171.5	-57.3	175.8	175.4	164.5	-3.9	113.4	D72 E296	D72-R300 IonicContact OD1-NH1 3.05Å; D72-R300 PolarHBondContact OD1-NH1 2.92Å; E296-R300 CarbonylContact O-C 3.53Å; E296-R300 WeakPolarHBondContact O-CA 3.39Å; E296-R300 PolarHBondContact O-N 3.29Å
301	L	96.4	Very high	95.4	Very high	23 Å²	23	59.1 Å²	59.1	12%	0.12	26%	0.258	C	S	.	.			trans	-98	164.3	175.6	-64.2	173.2	0	0	0	109.7	F73 V102 L104 F295 E296 F299	F73-L301 HydrophobicContact CD1-CD1 4.16Å; F73-L301 HydrophobicContact CE1-CD1 4.36Å; V102-L301 HydrophobicContact CG1-CB 4.13Å; V102-L301 HydrophobicContact CG1-CD1 4.14Å; V102-L301 HydrophobicContact CG1-CD2 4.37Å; V102-L301 HydrophobicContact CG1-CG 4.44Å; L104-L301 HydrophobicContact CD2-CD2 4.29Å; F295-L301 HydrophobicContact CE1-CB 4.37Å; F295-L301 HydrophobicContact CE1-CD1 4.09Å; F295-L301 HydrophobicContact CZ-CD1 4.34Å; E296-L301 CarbonylContact C-O 3.5Å; E296-L301 WeakPolarHBondContact CA-O 3.26Å; E296-L301 WeakPolarHBondContact CB-O 3.49Å; E296-L301 WeakPolarHBondContact CG-O 3.33Å; E296-L301 PolarHBondContact O-N 3.04Å; F299-L301 HydrophobicContact CB-CB 4.45Å; F299-L301 HydrophobicContact CB-CD1 3.83Å; F299-L301 HydrophobicContact CB-CG 3.94Å; F299-L301 PolarHBondContact O-N 2.97Å
302	R	96.8	Very high	94.3	Very high	161 Å²	161	65.2 Å²	65.2	61%	0.608	30%	0.301	S	S	*	.			trans	-127.7	144.6	170.9	-66.8	-170.3	-175.1	-171.9	3.5	110.2	R103	R103-R302 WeakPolarHBondContact CB-O 3.39Å; R103-R302 PolarHBondContact N-O 2.88Å
303	F	97.6	Very high	93.3	Very high	10 Å²	10	67.1 Å²	67.1	4%	0.044	31%	0.313	C	S	.	.	B	Isolated β-bridge	trans	-83	152.1	166.8	-67.5	-79.6	0	0	0	111	H97 N101 V102 Q292 F295 E296 F307	H97-F303 HydrophobicContact CB-CD1 4.32Å; H97-F303 HydrophobicContact CB-CE1 3.91Å; N101-F303 HydrophobicContact CB-CD1 4.11Å; N101-F303 CarbonylContact O-C 3.31Å; N101-F303 WeakPolarHBondContact O-CA 3.17Å; N101-F303 WeakPolarHBondContact O-CD1 3.38Å; V102-F303 HydrophobicContact CG2-CD1 3.99Å; V102-F303 HydrophobicContact CG2-CE1 3.59Å; V102-F303 HydrophobicContact CG2-CZ 4.39Å; Q292-F303 HydrophobicContact CG-CB 4.48Å; Q292-F303 HydrophobicContact CG-CD2 3.49Å; Q292-F303 VanDerWaalsContact CG-CD2 3.49Å; Q292-F303 HydrophobicContact CG-CE2 4.09Å; Q292-F303 HydrophobicContact CG-CG 4.31Å; F295-F303 HydrophobicContact CB-CE2 4.16Å; F295-F303 HydrophobicContact CD1-CD2 4.45Å; F295-F303 AromaticContact CD1-CE2 3.33Å; F295-F303 HydrophobicContact CD1-CE2 3.33Å; F295-F303 AromaticContact CD1-CZ 3.38Å; F295-F303 HydrophobicContact CD1-CZ 3.38Å; F295-F303 HydrophobicContact CE1-CE1 4.46Å; F295-F303 AromaticContact CE1-CE2 3.98Å; F295-F303 HydrophobicContact CE1-CE2 3.98Å; F295-F303 AromaticContact CE1-CZ 3.62Å; F295-F303 HydrophobicContact CE1-CZ 3.62Å; F295-F303 AromaticContact CG-CE2 3.95Å; F295-F303 HydrophobicContact CG-CE2 3.95Å; F295-F303 AromaticContact CG-CZ 4Å; F295-F303 HydrophobicContact CG-CZ 4Å; F295-F303 HydrophobicContact CZ-CZ 4.39Å; E296-F303 HydrophobicContact CG-CD2 3.71Å; E296-F303 HydrophobicContact CG-CE2 4.12Å; E296-F303 WeakPolarHBondContact OE1-CD2 3.27Å; E296-F303 PolarHBondContact OE1-N 3.49Å; F303-F307 HydrophobicContact CB-CE1 4.38Å; F303-F307 AromaticContact CD1-CE1 3.67Å; F303-F307 HydrophobicContact CD1-CE1 3.67Å; F303-F307 HydrophobicContact CD1-CZ 4.2Å; F303-F307 AromaticContact CD2-CE1 3.7Å; F303-F307 HydrophobicContact CD2-CE1 3.7Å; F303-F307 HydrophobicContact CD2-CZ 4.02Å; F303-F307 AromaticContact CE1-CE1 3.77Å; F303-F307 HydrophobicContact CE1-CE1 3.77Å; F303-F307 AromaticContact CE1-CZ 3.81Å; F303-F307 HydrophobicContact CE1-CZ 3.81Å; F303-F307 AromaticContact CE2-CE1 3.77Å; F303-F307 HydrophobicContact CE2-CE1 3.77Å; F303-F307 AromaticContact CE2-CZ 3.59Å; F303-F307 HydrophobicContact CE2-CZ 3.59Å; F303-F307 HydrophobicContact CG-CD1 4.49Å; F303-F307 AromaticContact CG-CE1 3.64Å; F303-F307 HydrophobicContact CG-CE1 3.64Å; F303-F307 HydrophobicContact CG-CZ 4.3Å; F303-F307 AromaticContact CZ-CE1 3.82Å; F303-F307 HydrophobicContact CZ-CE1 3.82Å; F303-F307 AromaticContact CZ-CZ 3.49Å; F303-F307 HydrophobicContact CZ-CZ 3.49Å; F303-F307 VanDerWaalsContact CZ-CZ 3.49Å
304	I	96.6	Very high	92.3	Very high	96 Å²	96	74.3 Å²	74.3	49%	0.492	34%	0.34	S	S	.	.	S	Bend	trans	-79.5	-48	-179.6	-59.5	167	0	0	0	109.7	N101 R103	N101-I304 PolarHBondContact O-N 3.24Å; R103-I304 HydrophobicContact CB-CG1 3.92Å
305	R	95.5	Very high	91.2	Very high	176 Å²	176	74.2 Å²	74.2	66%	0.664	34%	0.341	S	S	*	.	S	Bend	trans	-110.3	142.1	174.5	-58.8	-178.6	179.3	-168.5	-3.5	109.6	N101	N101-R305 PolarHBondContact ND2-O 2.87Å; N101-R305 WeakPolarHBondContact OD1-CB 3.46Å; N101-R305 PolarHBondContact OD1-N 3.29Å
306	P	96	Very high	89.8	Confident	55 Å²	55	77.5 Å²	77.5	36%	0.357	37%	0.368	S	S	.	.			trans	-70.1	154.9	178.2	31.1	-36.9	0	0	0	112.2	I48 R289	I48-P306 HydrophobicContact CD1-CB 4.38Å; R289-P306 VanDerWaalsContact CZ-CB 3.47Å
307	F	96	Very high	88.6	Confident	0 Å²	0	79.9 Å²	79.9	0%	0	40%	0.395	C	S	.	.			trans	-74.5	145.2	178.8	-72.7	17.7	0	0	0	111.1	F94 H97 Q288 R289 T291 Q292 F303	F94-F307 AromaticContact CD2-CE2 3.78Å; F94-F307 HydrophobicContact CD2-CE2 3.78Å; F94-F307 HydrophobicContact CD2-CZ 4.01Å; F94-F307 HydrophobicContact CE2-CE2 4.06Å; F94-F307 HydrophobicContact CE2-CZ 4.15Å; H97-F307 HydrophobicContact CB-CE1 3.71Å; H97-F307 HydrophobicContact CB-CZ 3.76Å; H97-F307 AromaticContact CD2-CD1 3.79Å; H97-F307 AromaticContact CD2-CE1 3.57Å; H97-F307 AromaticContact CD2-CZ 3.69Å; H97-F307 AromaticContact CE1-CD1 3.81Å; H97-F307 AromaticContact CG-CD1 3.96Å; H97-F307 AromaticContact CG-CE1 3.44Å; H97-F307 VanDerWaalsContact CG-CE1 3.44Å; H97-F307 AromaticContact CG-CZ 3.78Å; H97-F307 AromaticContact ND1-CD1 3.97Å; H97-F307 AromaticContact ND1-CE1 3.77Å; H97-F307 AromaticContact NE2-CD1 3.73Å; H97-F307 AromaticContact NE2-CE1 3.99Å; H97-F307 AromaticContact NE2-CG 3.96Å; Q288-F307 HydrophobicContact CB-CB 4.06Å; Q288-F307 WeakPolarHBondContact O-CD2 3.26Å; R289-F307 WeakPolarHBondContact CD-O 3.4Å; R289-F307 PolarHBondContact NE-O 2.86Å; T291-F307 HydrophobicContact CG2-CE2 4.16Å; Q292-F307 HydrophobicContact CB-CB 4.25Å; Q292-F307 HydrophobicContact CB-CD1 4.08Å; Q292-F307 HydrophobicContact CB-CD2 3.85Å; Q292-F307 HydrophobicContact CB-CE1 4.38Å; Q292-F307 HydrophobicContact CB-CE2 4.16Å; Q292-F307 HydrophobicContact CB-CG 3.8Å; Q292-F307 HydrophobicContact CB-CZ 4.42Å; Q292-F307 HydrophobicContact CG-CD1 3.88Å; Q292-F307 HydrophobicContact CG-CE1 4.06Å; Q292-F307 HydrophobicContact CG-CG 4.13Å; Q292-F307 HydrophobicContact CG-CZ 4.45Å; F303-F307 HydrophobicContact CB-CE1 4.38Å; F303-F307 AromaticContact CD1-CE1 3.67Å; F303-F307 HydrophobicContact CD1-CE1 3.67Å; F303-F307 HydrophobicContact CD1-CZ 4.2Å; F303-F307 AromaticContact CD2-CE1 3.7Å; F303-F307 HydrophobicContact CD2-CE1 3.7Å; F303-F307 HydrophobicContact CD2-CZ 4.02Å; F303-F307 AromaticContact CE1-CE1 3.77Å; F303-F307 HydrophobicContact CE1-CE1 3.77Å; F303-F307 AromaticContact CE1-CZ 3.81Å; F303-F307 HydrophobicContact CE1-CZ 3.81Å; F303-F307 AromaticContact CE2-CE1 3.77Å; F303-F307 HydrophobicContact CE2-CE1 3.77Å; F303-F307 AromaticContact CE2-CZ 3.59Å; F303-F307 HydrophobicContact CE2-CZ 3.59Å; F303-F307 HydrophobicContact CG-CD1 4.49Å; F303-F307 AromaticContact CG-CE1 3.64Å; F303-F307 HydrophobicContact CG-CE1 3.64Å; F303-F307 HydrophobicContact CG-CZ 4.3Å; F303-F307 AromaticContact CZ-CE1 3.82Å; F303-F307 HydrophobicContact CZ-CE1 3.82Å; F303-F307 AromaticContact CZ-CZ 3.49Å; F303-F307 HydrophobicContact CZ-CZ 3.49Å; F303-F307 VanDerWaalsContact CZ-CZ 3.49Å
308	M	93.1	Very high	87.8	Confident	101 Å²	101	77.6 Å²	77.6	50%	0.498	39%	0.389	S	S	.	.			trans	-112.5	133.5	-178.8	-65	-59.3	-73.9	0	0	111.2	Y310	M308-Y310 HydrophobicContact CB-CD2 4.32Å; M308-Y310 HydrophobicContact CB-CE2 3.56Å; M308-Y310 WeakPolarHBondContact O-CD2 3.41Å
309	Q	92.3	Very high	87.1	Confident	72 Å²	72	85.2 Å²	85.2	34%	0.336	43%	0.43	S	S	.	.			trans	-86.5	121.2	179.1	-171.4	64.5	45.8	0	0	109.7	T285 E286 Q288 N311	T285-Q309 PolarHBondContact O-NE2 3.49Å; E286-Q309 PolarHBondContact O-OE1 3.46Å; Q288-Q309 VanDerWaalsContact CB-OE1 3.3Å; Q309-N311 VanDerWaalsContact CG-OD1 3.3Å; Q309-N311 WeakPolarHBondContact CG-OD1 3.33Å; Q309-N311 PolarHBondContact NE2-OD1 3.49Å
310	Y	84.9	Confident	86.5	Confident	172 Å²	172	87.5 Å²	87.5	68%	0.675	44%	0.442	S	S	*	.			trans	-119.9	94.4	179	-64.3	-77	0	0	0	110.1	M308 T313	M308-Y310 HydrophobicContact CB-CD2 4.32Å; M308-Y310 HydrophobicContact CB-CE2 3.56Å; M308-Y310 WeakPolarHBondContact O-CD2 3.41Å; Y310-T313 WeakPolarHBondContact O-CG2 3.4Å
311	N	77.6	Confident	86.3	Confident	114 Å²	114	84 Å²	84	61%	0.61	44%	0.435	S	S	*	.			trans	-82.5	-23.7	-176.8	-67.1	-12.1	0	0	0	113.1	Q309 T313	Q309-N311 VanDerWaalsContact CG-OD1 3.3Å; Q309-N311 WeakPolarHBondContact CG-OD1 3.33Å; Q309-N311 PolarHBondContact NE2-OD1 3.49Å; N311-T313 PolarHBondContact O-N 3.12Å
312	S	75.2	Confident	86.2	Confident	129 Å²	129	89.6 Å²	89.6	90%	0.902	47%	0.465	S	S	*	.			trans	-71.1	66.3	175.3	-45.1	0	0	0	0	111.9
313	T	78.1	Confident	86.2	Confident	43 Å²	43	85 Å²	85	26%	0.264	46%	0.462	S	S	.	.			trans	-94.6	160.2	-178.7	77.5	0	0	0	0	111.8	R176 Y310 N311 A315 A316 G317	R176-T313 PolarHBondContact NH2-OG1 3.34Å; R176-T313 VanDerWaalsContact NH2-OG1 3.12Å; Y310-T313 WeakPolarHBondContact O-CG2 3.4Å; N311-T313 PolarHBondContact O-N 3.12Å; T313-A315 PolarHBondContact O-N 3.43Å; T313-A315 PolarHBondContact OG1-N 3.05Å; T313-A316 PolarHBondContact O-N 2.99Å; T313-A316 PolarHBondContact OG1-N 2.83Å; T313-G317 PolarHBondContact O-N 3.37Å
314	R	76.9	Confident	86.1	Confident	151 Å²	151	85.9 Å²	85.9	57%	0.57	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-11.2	173.2	-64.7	-175.9	-176.8	173.1	2.1	114.9
315	A	74.3	Confident	86.1	Confident	6 Å²	6	83.3 Å²	83.3	5%	0.05	46%	0.456	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-36.8	173.6	0	0	0	0	0	111.5	S180 L183 T313 G317 V318	S180-A315 VanDerWaalsContact O-CB 3.26Å; S180-A315 WeakPolarHBondContact O-CB 3.15Å; L183-A315 HydrophobicContact CB-CB 4.06Å; T313-A315 PolarHBondContact O-N 3.43Å; T313-A315 PolarHBondContact OG1-N 3.05Å; A315-G317 VanDerWaalsContact C-N 3.29Å; A315-G317 PolarHBondContact O-N 2.8Å; A315-V318 PolarHBondContact O-N 3.47Å
316	A	70.5	Confident	86.2	Confident	69 Å²	69	80.2 Å²	80.2	57%	0.57	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-17.5	179.7	0	0	0	0	0	113.6	T313 V318	T313-A316 PolarHBondContact O-N 2.99Å; T313-A316 PolarHBondContact OG1-N 2.83Å; A316-V318 VanDerWaalsContact C-N 3.34Å
317	G	73.3	Confident	86.3	Confident	61 Å²	61	83.1 Å²	83.1	63%	0.629	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.7	36.6	171.5	0	0	0	0	0	113.2	T313 A315	T313-G317 PolarHBondContact O-N 3.37Å; A315-G317 VanDerWaalsContact C-N 3.29Å; A315-G317 PolarHBondContact O-N 2.8Å
318	V	80.2	Confident	86.4	Confident	21 Å²	21	83.1 Å²	83.1	13%	0.127	45%	0.454	C	S	.	.			trans	-121.7	108.8	171.5	-172.2	0	0	0	0	107.1	W186 R187 A315 A316 L320	W186-V318 HydrophobicContact CZ3-CG1 4.05Å; W186-V318 HydrophobicContact CZ3-CG2 4.37Å; R187-V318 HydrophobicContact CG-CG2 4.43Å; A315-V318 PolarHBondContact O-N 3.47Å; A316-V318 VanDerWaalsContact C-N 3.34Å; V318-L320 HydrophobicContact CG1-CD1 4.45Å; V318-L320 HydrophobicContact CG1-CD2 3.68Å; V318-L320 HydrophobicContact CG1-CG 3.89Å; V318-L320 PolarHBondContact O-N 3.36Å
319	D	82.6	Confident	86.7	Confident	166 Å²	166	82 Å²	82	89%	0.888	45%	0.447	S	S	*	.			trans	-70.2	125.5	170.8	-56.4	-49.8	0	0	0	108.4
320	L	87.2	Confident	86.9	Confident	50 Å²	50	82.5 Å²	82.5	26%	0.262	45%	0.449	S	S	.	.			trans	-133.3	141.6	-178.2	-64	175.3	0	0	0	109.3	L183 L226 V318 T324 V325 I328	L183-L320 HydrophobicContact CD1-CD1 3.48Å; L183-L320 VanDerWaalsContact CD1-CD1 3.48Å; L183-L320 HydrophobicContact CD2-CD1 3.78Å; L183-L320 HydrophobicContact CG-CD1 4.23Å; L226-L320 HydrophobicContact CD2-CD2 3.67Å; V318-L320 HydrophobicContact CG1-CD1 4.45Å; V318-L320 HydrophobicContact CG1-CD2 3.68Å; V318-L320 HydrophobicContact CG1-CG 3.89Å; V318-L320 PolarHBondContact O-N 3.36Å; L320-T324 HydrophobicContact CD2-CG2 3.9Å; L320-V325 HydrophobicContact CB-CG2 3.91Å; L320-V325 HydrophobicContact CD1-CG2 4.2Å; L320-I328 HydrophobicContact CD1-CD1 4.34Å
321	D	92.1	Very high	87.6	Confident	87 Å²	87	75.7 Å²	75.7	47%	0.465	43%	0.425	S	S	.	.			trans	-76.2	157.1	166.3	68.6	-70.7	0	0	0	110.8	A323 T324 V325	D321-A323 PolarHBondContact O-N 3Å; D321-A323 WeakPolarHBondContact OD2-CA 3.37Å; D321-A323 VanDerWaalsContact OD2-CB 3.3Å; D321-A323 WeakPolarHBondContact OD2-CB 3.38Å; D321-A323 PolarHBondContact OD2-N 3Å; D321-A323 VanDerWaalsContact OD2-N 3.09Å; D321-T324 PolarHBondContact O-N 3.16Å; D321-T324 WeakPolarHBondContact OD1-CB 3.3Å; D321-T324 PolarHBondContact OD1-OG1 3.39Å; D321-T324 PolarHBondContact OD2-N 2.94Å; D321-V325 PolarHBondContact O-N 2.84Å; D321-V325 VanDerWaalsContact O-N 3.11Å
322	N	93.5	Very high	88.6	Confident	141 Å²	141	70.3 Å²	70.3	75%	0.754	40%	0.396	S	S	*	.	H	α-helix	trans	-61.8	-29	-177	-70.3	-1.8	0	0	0	113.3	V325 Q326	N322-V325 PolarHBondContact O-N 2.82Å; N322-Q326 WeakPolarHBondContact O-CB 3.37Å; N322-Q326 PolarHBondContact O-N 2.86Å
323	A	96.1	Very high	89.7	Confident	66 Å²	66	69.5 Å²	69.5	55%	0.545	38%	0.378	S	S	.	.	H	α-helix	trans	-72.7	-39.1	179.3	0	0	0	0	0	111.2	D321 V325 Q326 R327	D321-A323 PolarHBondContact O-N 3Å; D321-A323 WeakPolarHBondContact OD2-CA 3.37Å; D321-A323 VanDerWaalsContact OD2-CB 3.3Å; D321-A323 WeakPolarHBondContact OD2-CB 3.38Å; D321-A323 PolarHBondContact OD2-N 3Å; D321-A323 VanDerWaalsContact OD2-N 3.09Å; A323-V325 VanDerWaalsContact C-N 3.34Å; A323-Q326 PolarHBondContact O-N 3.18Å; A323-R327 WeakPolarHBondContact O-CB 3.31Å; A323-R327 PolarHBondContact O-N 3.13Å
324	T	96.1	Very high	90.7	Very high	28 Å²	28	68.1 Å²	68.1	17%	0.172	37%	0.369	C	S	.	.	H	α-helix	trans	-63.2	-39.2	170.5	-60.6	0	0	0	0	112	L226 M230 L320 D321 R327 I328	L226-T324 HydrophobicContact CD2-CG2 3.8Å; M230-T324 HydrophobicContact CE-CG2 4.21Å; M230-T324 HydrophobicContact SD-CG2 4.29Å; L320-T324 HydrophobicContact CD2-CG2 3.9Å; D321-T324 PolarHBondContact O-N 3.16Å; D321-T324 WeakPolarHBondContact OD1-CB 3.3Å; D321-T324 PolarHBondContact OD1-OG1 3.39Å; D321-T324 PolarHBondContact OD2-N 2.94Å; T324-R327 PolarHBondContact O-N 3.43Å; T324-I328 HydrophobicContact CG2-CD1 4.12Å; T324-I328 WeakPolarHBondContact O-CG1 3.23Å; T324-I328 PolarHBondContact O-N 3.05Å; T324-I328 VanDerWaalsContact O-N 3.08Å
325	V	96.5	Very high	91.8	Very high	41 Å²	41	61 Å²	61	25%	0.248	34%	0.342	C	S	.	.	H	α-helix	trans	-61.7	-52.3	175.2	175.5	0	0	0	0	110.6	L320 D321 N322 A323 R327 I328 E329	L320-V325 HydrophobicContact CB-CG2 3.91Å; L320-V325 HydrophobicContact CD1-CG2 4.2Å; D321-V325 PolarHBondContact O-N 2.84Å; D321-V325 VanDerWaalsContact O-N 3.11Å; N322-V325 PolarHBondContact O-N 2.82Å; A323-V325 VanDerWaalsContact C-N 3.34Å; V325-R327 VanDerWaalsContact C-N 3.25Å; V325-R327 PolarHBondContact O-N 2.55Å; V325-I328 PolarHBondContact O-N 3.33Å; V325-E329 WeakPolarHBondContact O-CG 3.5Å; V325-E329 PolarHBondContact O-N 3.48Å
326	Q	97.8	Very high	92.9	Very high	112 Å²	112	63.2 Å²	63.2	52%	0.523	35%	0.352	S	S	.	.	H	α-helix	trans	-55.6	-41.6	177	-174.9	-172.3	-35.7	0	0	111.5	N322 A323 I328 E329 E330	N322-Q326 WeakPolarHBondContact O-CB 3.37Å; N322-Q326 PolarHBondContact O-N 2.86Å; A323-Q326 PolarHBondContact O-N 3.18Å; Q326-I328 VanDerWaalsContact C-N 3.31Å; Q326-I328 PolarHBondContact O-N 2.96Å; Q326-E329 WeakPolarHBondContact O-CB 3.34Å; Q326-E329 PolarHBondContact O-N 3.34Å; Q326-E329 VanDerWaalsContact O-N 3.13Å; Q326-E330 PolarHBondContact NE2-OE1 3Å; Q326-E330 WeakPolarHBondContact O-CG 3.29Å; Q326-E330 PolarHBondContact O-N 2.91Å
327	R	98.1	Very high	94.3	Very high	116 Å²	116	64.3 Å²	64.3	44%	0.438	35%	0.345	S	S	.	.	H	α-helix	trans	-63.1	-35.9	177.7	-174.4	54.2	173.4	179	0.9	113.1	M230 A323 T324 V325 E330 L331	M230-R327 HydrophobicContact SD-CG 4.2Å; A323-R327 WeakPolarHBondContact O-CB 3.31Å; A323-R327 PolarHBondContact O-N 3.13Å; T324-R327 PolarHBondContact O-N 3.43Å; V325-R327 VanDerWaalsContact C-N 3.25Å; V325-R327 PolarHBondContact O-N 2.55Å; R327-E330 WeakPolarHBondContact CD-OE2 3.42Å; R327-E330 IonicContact CZ-OE2 3.98Å; R327-E330 IonicContact NH1-OE2 3.96Å; R327-E330 PolarHBondContact NH1-OE2 3.24Å; R327-L331 HydrophobicContact CG-CD1 4.48Å; R327-L331 WeakPolarHBondContact O-CG 3.38Å; R327-L331 PolarHBondContact O-N 2.93Å; R327-L331 VanDerWaalsContact O-N 3.11Å
328	I	98.4	Very high	95.5	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-70.5	-37.2	174.4	-66.2	165.6	0	0	0	110.7	V179 Y182 L183 L226 M230 L320 T324 V325 Q326 L331 N332	V179-I328 HydrophobicContact CB-CG2 4.32Å; V179-I328 HydrophobicContact CG1-CG2 4.19Å; V179-I328 HydrophobicContact CG2-CG2 4.16Å; Y182-I328 HydrophobicContact CD1-CD1 4.48Å; Y182-I328 HydrophobicContact CD1-CG1 4.19Å; Y182-I328 HydrophobicContact CD1-CG2 3.71Å; Y182-I328 HydrophobicContact CE1-CG1 4.32Å; Y182-I328 HydrophobicContact CE1-CG2 4.42Å; Y182-I328 HydrophobicContact CG-CG2 3.92Å; L183-I328 HydrophobicContact CD2-CD1 3.72Å; L183-I328 HydrophobicContact CG-CD1 4.14Å; L226-I328 HydrophobicContact CD2-CD1 4.44Å; M230-I328 HydrophobicContact SD-CD1 4.31Å; M230-I328 HydrophobicContact SD-CG1 3.66Å; L320-I328 HydrophobicContact CD1-CD1 4.34Å; T324-I328 HydrophobicContact CG2-CD1 4.12Å; T324-I328 WeakPolarHBondContact O-CG1 3.23Å; T324-I328 PolarHBondContact O-N 3.05Å; T324-I328 VanDerWaalsContact O-N 3.08Å; V325-I328 PolarHBondContact O-N 3.33Å; Q326-I328 VanDerWaalsContact C-N 3.31Å; Q326-I328 PolarHBondContact O-N 2.96Å; I328-L331 PolarHBondContact O-N 3.38Å; I328-N332 WeakPolarHBondContact O-CB 3.4Å; I328-N332 PolarHBondContact O-N 2.92Å; I328-N332 PolarHBondContact O-ND2 3.44Å
329	E	98.4	Very high	96.4	Very high	76 Å²	76	61.4 Å²	61.4	36%	0.355	31%	0.313	S	S	.	.	H	α-helix	trans	-63.2	-44.4	174.3	-65.1	179.5	142.3	0	0	111.3	V179 V325 Q326 N332 E333 M336	V179-E329 HydrophobicContact CG2-CG 3.62Å; V325-E329 WeakPolarHBondContact O-CG 3.5Å; V325-E329 PolarHBondContact O-N 3.48Å; Q326-E329 WeakPolarHBondContact O-CB 3.34Å; Q326-E329 PolarHBondContact O-N 3.34Å; Q326-E329 VanDerWaalsContact O-N 3.13Å; E329-N332 CarbonylContact O-C 3.17Å; E329-N332 PolarHBondContact O-N 3.24Å; E329-N332 VanDerWaalsContact O-N 3.09Å; E329-E333 WeakPolarHBondContact O-CA 3.42Å; E329-E333 PolarHBondContact O-N 3.4Å; E329-M336 HydrophobicContact CB-CE 4.37Å; E329-M336 HydrophobicContact CB-CG 4.4Å; E329-M336 HydrophobicContact CG-CE 3.78Å; E329-M336 HydrophobicContact CG-SD 4.21Å; E329-M336 WeakPolarHBondContact OE1-CE 3.42Å
330	E	98.4	Very high	97.1	Very high	84 Å²	84	56 Å²	56	39%	0.393	28%	0.284	S	S	.	.	H	α-helix	trans	-57	-49.6	173.2	-71.5	167.7	-168.8	0	0	112	Q326 R327 N332 E333	Q326-E330 PolarHBondContact NE2-OE1 3Å; Q326-E330 WeakPolarHBondContact O-CG 3.29Å; Q326-E330 PolarHBondContact O-N 2.91Å; R327-E330 WeakPolarHBondContact CD-OE2 3.42Å; R327-E330 IonicContact CZ-OE2 3.98Å; R327-E330 IonicContact NH1-OE2 3.96Å; R327-E330 PolarHBondContact NH1-OE2 3.24Å; E330-N332 PolarHBondContact O-N 3.47Å; E330-N332 VanDerWaalsContact O-N 3.09Å; E330-E333 PolarHBondContact O-N 2.89Å
331	L	98.6	Very high	97.7	Very high	29 Å²	29	54.6 Å²	54.6	15%	0.152	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-12.2	177.5	-70.8	170.5	0	0	0	114	M230 N238 R327 I328	M230-L331 HydrophobicContact CB-CD1 3.66Å; M230-L331 HydrophobicContact CG-CD1 3.79Å; M230-L331 HydrophobicContact SD-CD1 4.46Å; N238-L331 WeakPolarHBondContact CB-O 3.48Å; R327-L331 HydrophobicContact CG-CD1 4.48Å; R327-L331 WeakPolarHBondContact O-CG 3.38Å; R327-L331 PolarHBondContact O-N 2.93Å; R327-L331 VanDerWaalsContact O-N 3.11Å; I328-L331 PolarHBondContact O-N 3.38Å
332	N	98.8	Very high	98	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-128	28.1	-178.8	-65.5	-94.1	0	0	0	111.8	P178 R181 Y182 A237 N239 I328 E329 E330 L334 D335 M336	P178-N332 HydrophobicContact CB-CB 4.11Å; R181-N332 PolarHBondContact NH2-OD1 2.86Å; Y182-N332 WeakPolarHBondContact CD2-ND2 3.39Å; Y182-N332 WeakPolarHBondContact CD2-OD1 3.08Å; A237-N332 PolarHBondContact O-OD1 2.83Å; N239-N332 PolarHBondContact N-OD1 3.07Å; N239-N332 VanDerWaalsContact OD1-CA 3.26Å; N239-N332 WeakPolarHBondContact OD1-CA 3.29Å; N239-N332 PolarHBondContact OD1-O 2.75Å; I328-N332 WeakPolarHBondContact O-CB 3.4Å; I328-N332 PolarHBondContact O-N 2.92Å; I328-N332 PolarHBondContact O-ND2 3.44Å; E329-N332 CarbonylContact O-C 3.17Å; E329-N332 PolarHBondContact O-N 3.24Å; E329-N332 VanDerWaalsContact O-N 3.09Å; E330-N332 PolarHBondContact O-N 3.47Å; E330-N332 VanDerWaalsContact O-N 3.09Å; N332-L334 VanDerWaalsContact C-N 3.29Å; N332-L334 PolarHBondContact O-N 2.99Å; N332-L334 VanDerWaalsContact O-N 3.17Å; N332-D335 HydrophobicContact CB-CB 4.01Å; N332-D335 CarbonylContact O-C 3.51Å; N332-D335 WeakPolarHBondContact O-CA 3.43Å; N332-D335 WeakPolarHBondContact O-CB 3.19Å; N332-D335 PolarHBondContact O-N 3.49Å; N332-M336 WeakPolarHBondContact O-CG 3.26Å; N332-M336 PolarHBondContact O-N 2.96Å
333	E	98.7	Very high	98.3	Very high	112 Å²	112	47.8 Å²	47.8	52%	0.523	24%	0.235	S	C	.	.	H	α-helix	trans	-50.7	-43	-174	52.3	164.2	-149.7	0	0	114	N239 E329 E330 M336 E337	N239-E333 PolarHBondContact OD1-N 3.08Å; E329-E333 WeakPolarHBondContact O-CA 3.42Å; E329-E333 PolarHBondContact O-N 3.4Å; E330-E333 PolarHBondContact O-N 2.89Å; E333-M336 WeakPolarHBondContact O-CB 3.34Å; E333-M336 PolarHBondContact O-N 2.95Å; E333-E337 PolarHBondContact O-N 3.33Å
334	L	98.8	Very high	98.4	Very high	15 Å²	15	45 Å²	45	8%	0.079	21%	0.211	C	C	.	.	H	α-helix	trans	-73.3	-37.8	179.8	-45.7	179.8	0	0	0	110.7	N239 V242 A265 L269 N332 M336 E337 L338	N239-L334 HydrophobicContact CB-CB 4.4Å; N239-L334 WeakPolarHBondContact OD1-CA 3.23Å; N239-L334 WeakPolarHBondContact OD1-CB 3.4Å; N239-L334 PolarHBondContact OD1-N 2.84Å; V242-L334 HydrophobicContact CB-CB 4.19Å; V242-L334 HydrophobicContact CG1-CB 4.19Å; V242-L334 HydrophobicContact CG1-CD1 4.34Å; V242-L334 VanDerWaalsContact CG2-C 3.47Å; V242-L334 HydrophobicContact CG2-CB 3.78Å; V242-L334 VanDerWaalsContact CG2-O 3.23Å; V242-L334 WeakPolarHBondContact CG2-O 3.38Å; A265-L334 HydrophobicContact CB-CD1 3.88Å; A265-L334 HydrophobicContact CB-CD2 4Å; L269-L334 HydrophobicContact CD1-CB 4.47Å; L269-L334 WeakPolarHBondContact CD1-O 3.36Å; L269-L334 HydrophobicContact CD2-CD2 4.49Å; N332-L334 VanDerWaalsContact C-N 3.29Å; N332-L334 PolarHBondContact O-N 2.99Å; N332-L334 VanDerWaalsContact O-N 3.17Å; L334-M336 VanDerWaalsContact C-N 3.29Å; L334-M336 PolarHBondContact O-N 3.42Å; L334-E337 PolarHBondContact O-N 2.85Å; L334-L338 VanDerWaalsContact O-CB 3.26Å; L334-L338 WeakPolarHBondContact O-CB 3.22Å; L334-L338 PolarHBondContact O-N 3.34Å
335	D	98.9	Very high	98.5	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-63	-35.7	172.9	-106.5	45.6	0	0	0	111.1	P178 R181 N239 R240 Q241 V242 N332 Y339	P178-D335 HydrophobicContact CB-CB 3.94Å; P178-D335 VanDerWaalsContact CG-C 3.44Å; P178-D335 HydrophobicContact CG-CB 3.87Å; P178-D335 VanDerWaalsContact CG-O 3.27Å; P178-D335 WeakPolarHBondContact CG-O 3.3Å; R181-D335 IonicContact NE-OD2 2.78Å; R181-D335 PolarHBondContact NE-OD2 2.99Å; N239-D335 WeakPolarHBondContact CA-OD1 3.28Å; N239-D335 PolarHBondContact OD1-N 2.98Å; R240-D335 PolarHBondContact N-OD1 3.47Å; Q241-D335 WeakPolarHBondContact CA-OD1 3.44Å; Q241-D335 WeakPolarHBondContact CB-OD1 3.44Å; Q241-D335 VanDerWaalsContact CB-OD2 3.3Å; Q241-D335 WeakPolarHBondContact CB-OD2 3.43Å; Q241-D335 VanDerWaalsContact CG-OD2 3.28Å; Q241-D335 WeakPolarHBondContact CG-OD2 3.4Å; Q241-D335 PolarHBondContact N-OD1 3.23Å; Q241-D335 PolarHBondContact N-OD2 2.9Å; Q241-D335 VanDerWaalsContact N-OD2 3.16Å; Q241-D335 PolarHBondContact NE2-OD2 2.9Å; V242-D335 PolarHBondContact N-OD1 2.88Å; N332-D335 HydrophobicContact CB-CB 4.01Å; N332-D335 CarbonylContact O-C 3.51Å; N332-D335 WeakPolarHBondContact O-CA 3.43Å; N332-D335 WeakPolarHBondContact O-CB 3.19Å; N332-D335 PolarHBondContact O-N 3.49Å; D335-Y339 WeakPolarHBondContact O-CB 3.49Å; D335-Y339 PolarHBondContact O-N 2.8Å
336	M	98.8	Very high	98.6	Very high	53 Å²	53	41.8 Å²	41.8	26%	0.261	19%	0.191	S	C	.	.	H	α-helix	trans	-65.9	-49.8	174.7	-67.2	-64.4	-73.6	0	0	111.2	P178 V179 E329 N332 E333 L334 L338 Y339 D340	P178-M336 HydrophobicContact CB-CG 4.36Å; P178-M336 HydrophobicContact CB-SD 3.7Å; P178-M336 HydrophobicContact CG-CG 4.28Å; P178-M336 HydrophobicContact CG-SD 3.61Å; V179-M336 HydrophobicContact CG2-SD 4.39Å; E329-M336 HydrophobicContact CB-CE 4.37Å; E329-M336 HydrophobicContact CB-CG 4.4Å; E329-M336 HydrophobicContact CG-CE 3.78Å; E329-M336 HydrophobicContact CG-SD 4.21Å; E329-M336 WeakPolarHBondContact OE1-CE 3.42Å; N332-M336 WeakPolarHBondContact O-CG 3.26Å; N332-M336 PolarHBondContact O-N 2.96Å; E333-M336 WeakPolarHBondContact O-CB 3.34Å; E333-M336 PolarHBondContact O-N 2.95Å; L334-M336 VanDerWaalsContact C-N 3.29Å; L334-M336 PolarHBondContact O-N 3.42Å; M336-L338 PolarHBondContact O-N 2.98Å; M336-Y339 PolarHBondContact O-N 3.12Å; M336-D340 WeakPolarHBondContact O-CB 3.2Å; M336-D340 PolarHBondContact O-N 2.77Å
337	E	98.8	Very high	98.6	Very high	92 Å²	92	37 Å²	37	43%	0.43	17%	0.169	S	C	.	.	H	α-helix	trans	-60.9	-42.9	174.4	-79.6	-160.7	-118.6	0	0	112.9	L269 K273 E333 L334 Y341	L269-E337 HydrophobicContact CD1-CB 4.09Å; L269-E337 HydrophobicContact CD2-CB 3.83Å; L269-E337 HydrophobicContact CD2-CG 4.28Å; L269-E337 WeakPolarHBondContact CD2-OE2 3.4Å; K273-E337 IonicContact NZ-OE2 2.64Å; E333-E337 PolarHBondContact O-N 3.33Å; L334-E337 PolarHBondContact O-N 2.85Å; E337-Y341 WeakPolarHBondContact O-CB 3.32Å; E337-Y341 PolarHBondContact O-N 3.47Å; E337-Y341 VanDerWaalsContact O-N 3.12Å
338	L	98.9	Very high	98.6	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.005	15%	0.149	C	C	.	.	H	α-helix	trans	-63.9	-43.5	177.2	177.6	67.3	0	0	0	111.2	Q241 V242 L245 L269 A272 K273 L276 L334 M336 Y341 A342	Q241-L338 HydrophobicContact CB-CD2 4.04Å; V242-L338 HydrophobicContact CB-CD2 4.4Å; V242-L338 HydrophobicContact CG2-CB 3.61Å; V242-L338 HydrophobicContact CG2-CD2 3.58Å; V242-L338 HydrophobicContact CG2-CG 4.15Å; L245-L338 HydrophobicContact CD1-CD2 4Å; L269-L338 HydrophobicContact CD1-CB 3.96Å; A272-L338 HydrophobicContact CB-CD1 4.1Å; A272-L338 HydrophobicContact CB-CD2 4.19Å; K273-L338 HydrophobicContact CG-CD1 3.93Å; L276-L338 HydrophobicContact CD2-CD1 4.11Å; L334-L338 VanDerWaalsContact O-CB 3.26Å; L334-L338 WeakPolarHBondContact O-CB 3.22Å; L334-L338 PolarHBondContact O-N 3.34Å; M336-L338 PolarHBondContact O-N 2.98Å; L338-Y341 PolarHBondContact O-N 3.06Å; L338-A342 WeakPolarHBondContact O-CB 3.46Å; L338-A342 PolarHBondContact O-N 3.39Å
339	Y	98.8	Very high	98.6	Very high	20 Å²	20	32 Å²	32	8%	0.078	15%	0.15	C	C	.	.	H	α-helix	trans	-70.6	-38.2	-177.1	-176.5	-105.7	0	0	0	112.2	L175 R176 D177 P178 L284 E286 D335 M336 A342 K343	L175-Y339 HydrophobicContact CB-CD2 4.34Å; R176-Y339 WeakPolarHBondContact O-CD2 3.39Å; D177-Y339 HydrophobicContact CB-CE1 3.97Å; D177-Y339 VanDerWaalsContact N-CE2 3.31Å; D177-Y339 VanDerWaalsContact N-CZ 3.33Å; P178-Y339 HydrophobicContact CG-CG 4.42Å; L284-Y339 HydrophobicContact CD2-CE2 4.01Å; E286-Y339 PolarHBondContact OE2-OH 3.35Å; E286-Y339 VanDerWaalsContact OE2-OH 3.07Å; D335-Y339 WeakPolarHBondContact O-CB 3.49Å; D335-Y339 PolarHBondContact O-N 2.8Å; M336-Y339 PolarHBondContact O-N 3.12Å; Y339-A342 PolarHBondContact O-N 3.33Å; Y339-K343 HydrophobicContact CE1-CD 4.3Å; Y339-K343 WeakPolarHBondContact O-CB 3.44Å; Y339-K343 PolarHBondContact O-N 3.28Å
340	D	98.6	Very high	98.5	Very high	52 Å²	52	28.4 Å²	28.4	28%	0.278	13%	0.133	S	C	.	.	H	α-helix	trans	-61.3	-47.8	172.6	174	92.4	0	0	0	111.7	K59 Y60 M336 A342 K343 D344	K59-D340 VanDerWaalsContact CD-OD2 3.3Å; K59-D340 WeakPolarHBondContact CD-OD2 3.19Å; K59-D340 WeakPolarHBondContact CE-OD2 3.26Å; K59-D340 IonicContact NZ-OD1 3.91Å; K59-D340 PolarHBondContact NZ-OD1 3.45Å; K59-D340 IonicContact NZ-OD2 2.91Å; K59-D340 PolarHBondContact NZ-OD2 2.78Å; Y60-D340 WeakPolarHBondContact CE2-OD2 3.31Å; Y60-D340 PolarHBondContact OH-OD2 2.65Å; M336-D340 WeakPolarHBondContact O-CB 3.2Å; M336-D340 PolarHBondContact O-N 2.77Å; D340-A342 PolarHBondContact O-N 3.23Å; D340-K343 PolarHBondContact O-N 2.79Å; D340-D344 PolarHBondContact O-N 3.28Å
341	Y	98.8	Very high	98.4	Very high	21 Å²	21	25.8 Å²	25.8	8%	0.082	12%	0.121	C	C	.	.	H	α-helix	trans	-58	-46.5	172	176.8	-95.4	0	0	0	112.8	Y60 F62 K273 R277 E337 L338 D344 L345	Y60-Y341 HydrophobicContact CD1-CD2 4.22Å; Y60-Y341 HydrophobicContact CD2-CD2 4.15Å; Y60-Y341 HydrophobicContact CE1-CD2 4.32Å; Y60-Y341 HydrophobicContact CE2-CD2 4.26Å; Y60-Y341 HydrophobicContact CG-CD2 4.14Å; F62-Y341 HydrophobicContact CE1-CD2 4.38Å; F62-Y341 HydrophobicContact CE1-CE1 4.47Å; F62-Y341 AromaticContact CE1-CE2 3.56Å; F62-Y341 HydrophobicContact CE1-CE2 3.56Å; F62-Y341 AromaticContact CE1-CZ 3.63Å; F62-Y341 HydrophobicContact CZ-CD2 4.05Å; F62-Y341 AromaticContact CZ-CE2 3.69Å; F62-Y341 HydrophobicContact CZ-CE2 3.69Å; K273-Y341 HydrophobicContact CB-CD1 4.06Å; K273-Y341 HydrophobicContact CB-CE1 3.75Å; K273-Y341 HydrophobicContact CD-CD1 4.39Å; K273-Y341 HydrophobicContact CD-CD2 4.27Å; K273-Y341 HydrophobicContact CD-CE2 4.49Å; K273-Y341 HydrophobicContact CD-CG 4.2Å; K273-Y341 HydrophobicContact CG-CD1 3.74Å; K273-Y341 HydrophobicContact CG-CD2 4.5Å; K273-Y341 HydrophobicContact CG-CE1 3.97Å; K273-Y341 HydrophobicContact CG-CG 4.01Å; R277-Y341 PolarHBondContact NH1-OH 3.12Å; E337-Y341 WeakPolarHBondContact O-CB 3.32Å; E337-Y341 PolarHBondContact O-N 3.47Å; E337-Y341 VanDerWaalsContact O-N 3.12Å; L338-Y341 PolarHBondContact O-N 3.06Å; Y341-D344 PolarHBondContact O-N 3.27Å; Y341-L345 HydrophobicContact CE1-CD2 4.44Å; Y341-L345 WeakPolarHBondContact O-CB 3.38Å; Y341-L345 PolarHBondContact O-N 2.98Å
342	A	98.8	Very high	98.2	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-65.6	-39.3	-179.8	0	0	0	0	0	112.3	L175 L276 F282 L338 Y339 D340 F346	L175-A342 HydrophobicContact CD1-CB 3.54Å; L276-A342 HydrophobicContact CD2-CB 3.51Å; F282-A342 HydrophobicContact CE2-CB 4.05Å; F282-A342 WeakPolarHBondContact CE2-O 3.04Å; F282-A342 HydrophobicContact CZ-CB 4.32Å; F282-A342 WeakPolarHBondContact CZ-O 3.05Å; L338-A342 WeakPolarHBondContact O-CB 3.46Å; L338-A342 PolarHBondContact O-N 3.39Å; Y339-A342 PolarHBondContact O-N 3.33Å; D340-A342 PolarHBondContact O-N 3.23Å; A342-F346 WeakPolarHBondContact O-CB 3.3Å; A342-F346 PolarHBondContact O-N 3.21Å
343	K	98.6	Very high	98.1	Very high	86 Å²	86	27.8 Å²	27.8	37%	0.374	13%	0.13	S	C	.	.	H	α-helix	trans	-64	-45.3	177.1	-175.1	-179.2	179.1	-174.2	0	110.6	L284 Y287 Y339 D340 F346 Q347	L284-K343 HydrophobicContact CD1-CB 4.37Å; L284-K343 HydrophobicContact CD1-CG 4.43Å; Y287-K343 WeakPolarHBondContact OH-CE 3.4Å; Y339-K343 HydrophobicContact CE1-CD 4.3Å; Y339-K343 WeakPolarHBondContact O-CB 3.44Å; Y339-K343 PolarHBondContact O-N 3.28Å; D340-K343 PolarHBondContact O-N 2.79Å; K343-F346 PolarHBondContact O-N 2.87Å; K343-Q347 WeakPolarHBondContact O-CG 3.35Å; K343-Q347 PolarHBondContact O-N 3.31Å
344	D	98.5	Very high	97.9	Very high	7 Å²	7	22.9 Å²	22.9	4%	0.037	11%	0.106	C	C	.	.	H	α-helix	trans	-60.6	-54.2	175.2	-161.3	66.7	0	0	0	111	Y56 K59 Y60 F62 D340 Y341 F346 Q347 Q348	Y56-D344 PolarHBondContact OH-O 2.82Å; Y56-D344 VanDerWaalsContact OH-O 3.13Å; Y56-D344 PolarHBondContact OH-OD1 2.94Å; K59-D344 PolarHBondContact N-OD1 3.25Å; K59-D344 PolarHBondContact N-OD2 3.05Å; Y60-D344 HydrophobicContact CD2-CB 3.84Å; Y60-D344 HydrophobicContact CE2-CB 4.49Å; Y60-D344 PolarHBondContact N-OD2 3.49Å; F62-D344 HydrophobicContact CE2-CB 4.37Å; F62-D344 WeakPolarHBondContact CE2-OD2 3.42Å; D340-D344 PolarHBondContact O-N 3.28Å; Y341-D344 PolarHBondContact O-N 3.27Å; D344-F346 VanDerWaalsContact C-N 3.28Å; D344-F346 PolarHBondContact O-N 3.28Å; D344-Q347 PolarHBondContact O-N 2.96Å; D344-Q348 WeakPolarHBondContact O-CG 3.41Å; D344-Q348 PolarHBondContact O-N 3.09Å; D344-Q348 PolarHBondContact OD2-NE2 2.82Å
345	L	98.7	Very high	97.6	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-55.2	-41.9	177.7	178.9	56.3	0	0	0	112.5	F62 L67 R277 F282 Y341 Q348 R349	F62-L345 HydrophobicContact CB-CD1 4.46Å; F62-L345 HydrophobicContact CD1-CD1 3.87Å; F62-L345 HydrophobicContact CD2-CB 4.34Å; F62-L345 HydrophobicContact CD2-CD1 3.88Å; F62-L345 HydrophobicContact CE1-CB 4.27Å; F62-L345 HydrophobicContact CE1-CD1 4.05Å; F62-L345 VanDerWaalsContact CE2-CA 3.47Å; F62-L345 HydrophobicContact CE2-CB 3.69Å; F62-L345 HydrophobicContact CE2-CD1 4.07Å; F62-L345 HydrophobicContact CE2-CG 4.46Å; F62-L345 HydrophobicContact CG-CD1 3.79Å; F62-L345 HydrophobicContact CZ-CB 3.66Å; F62-L345 HydrophobicContact CZ-CD1 4.15Å; F62-L345 HydrophobicContact CZ-CG 4.36Å; L67-L345 HydrophobicContact CD2-CD1 4.1Å; R277-L345 HydrophobicContact CB-CD2 3.96Å; R277-L345 HydrophobicContact CG-CD2 3.95Å; F282-L345 HydrophobicContact CE1-CD2 3.81Å; F282-L345 HydrophobicContact CE1-CG 4.17Å; F282-L345 HydrophobicContact CZ-CB 4.28Å; F282-L345 HydrophobicContact CZ-CD2 4.07Å; F282-L345 HydrophobicContact CZ-CG 4.12Å; Y341-L345 HydrophobicContact CE1-CD2 4.44Å; Y341-L345 WeakPolarHBondContact O-CB 3.38Å; Y341-L345 PolarHBondContact O-N 2.98Å; L345-Q348 PolarHBondContact O-N 3.18Å; L345-R349 HydrophobicContact CD1-CG 4.23Å; L345-R349 WeakPolarHBondContact O-CB 3.45Å; L345-R349 VanDerWaalsContact O-CG 3.27Å; L345-R349 WeakPolarHBondContact O-CG 3.3Å; L345-R349 PolarHBondContact O-N 3.46Å
346	F	98.5	Very high	97.3	Very high	1 Å²	1	30.8 Å²	30.8	0%	0.004	14%	0.143	C	C	.	.	H	α-helix	trans	-66.5	-44	178.9	-179.3	-92.9	0	0	0	112.8	F282 L284 Y287 K290 L294 A342 K343 D344 R349 Y350	F282-F346 HydrophobicContact CD2-CD2 4.46Å; F282-F346 HydrophobicContact CE2-CB 3.88Å; F282-F346 HydrophobicContact CE2-CD2 4.19Å; F282-F346 HydrophobicContact CE2-CG 4.48Å; F282-F346 HydrophobicContact CZ-CB 4.13Å; L284-F346 HydrophobicContact CD1-CB 3.78Å; L284-F346 HydrophobicContact CD1-CD1 3.52Å; L284-F346 HydrophobicContact CD1-CD2 4.35Å; L284-F346 HydrophobicContact CD1-CE1 4.14Å; L284-F346 HydrophobicContact CD1-CG 3.63Å; L284-F346 HydrophobicContact CG-CB 4.21Å; L284-F346 HydrophobicContact CG-CD1 3.97Å; L284-F346 HydrophobicContact CG-CD2 4.01Å; L284-F346 HydrophobicContact CG-CE1 4.29Å; L284-F346 HydrophobicContact CG-CE2 4.34Å; L284-F346 HydrophobicContact CG-CG 3.81Å; L284-F346 HydrophobicContact CG-CZ 4.46Å; Y287-F346 HydrophobicContact CD2-CE1 4.26Å; Y287-F346 HydrophobicContact CG-CE1 4.2Å; K290-F346 HydrophobicContact CB-CE1 3.72Å; K290-F346 HydrophobicContact CB-CZ 3.74Å; K290-F346 HydrophobicContact CD-CE1 4.3Å; L294-F346 HydrophobicContact CD1-CD2 3.9Å; L294-F346 HydrophobicContact CD1-CE2 3.71Å; L294-F346 HydrophobicContact CD1-CG 4.5Å; L294-F346 HydrophobicContact CD1-CZ 4.18Å; A342-F346 WeakPolarHBondContact O-CB 3.3Å; A342-F346 PolarHBondContact O-N 3.21Å; K343-F346 PolarHBondContact O-N 2.87Å; D344-F346 VanDerWaalsContact C-N 3.28Å; D344-F346 PolarHBondContact O-N 3.28Å; F346-R349 PolarHBondContact O-N 3.34Å; F346-Y350 WeakPolarHBondContact O-CB 3.47Å; F346-Y350 PolarHBondContact O-N 2.61Å
347	Q	97.7	Very high	96.9	Very high	11 Å²	11	30.7 Å²	30.7	5%	0.051	14%	0.142	C	C	.	.	H	α-helix	trans	-67.2	-39.2	176.2	-62.5	-54.3	-28.9	0	0	111.3	Y56 K343 D344 Y350 Q351	Y56-Q347 HydrophobicContact CD1-CB 4.34Å; Y56-Q347 HydrophobicContact CD2-CB 3.96Å; Y56-Q347 HydrophobicContact CD2-CG 4.06Å; Y56-Q347 HydrophobicContact CE1-CB 3.93Å; Y56-Q347 HydrophobicContact CE2-CB 3.58Å; Y56-Q347 HydrophobicContact CE2-CG 3.9Å; Y56-Q347 HydrophobicContact CG-CB 4.32Å; K343-Q347 WeakPolarHBondContact O-CG 3.35Å; K343-Q347 PolarHBondContact O-N 3.31Å; D344-Q347 PolarHBondContact O-N 2.96Å; Q347-Y350 PolarHBondContact O-N 2.86Å; Q347-Q351 WeakPolarHBondContact O-CB 3.41Å; Q347-Q351 WeakPolarHBondContact O-CG 3.46Å; Q347-Q351 PolarHBondContact O-N 3.19Å
348	Q	98	Very high	96.5	Very high	4 Å²	4	31.3 Å²	31.3	2%	0.019	14%	0.14	C	C	.	.	H	α-helix	trans	-65.1	-42	175.1	-62.5	-156.7	50.7	0	0	112.2	Y56 K58 Y60 F62 L67 D344 L345 Q351 Y352	Y56-Q348 HydrophobicContact CE1-CG 4.04Å; Y56-Q348 WeakPolarHBondContact OH-CG 3.37Å; K58-Q348 HydrophobicContact CD-CG 4.39Å; K58-Q348 VanDerWaalsContact CD-OE1 3.3Å; K58-Q348 VanDerWaalsContact CE-OE1 3.3Å; K58-Q348 HydrophobicContact CG-CG 4.11Å; Y60-Q348 PolarHBondContact O-NE2 3.09Å; F62-Q348 HydrophobicContact CD2-CG 4.42Å; L67-Q348 HydrophobicContact CD1-CB 4.45Å; L67-Q348 HydrophobicContact CD2-CB 3.52Å; D344-Q348 WeakPolarHBondContact O-CG 3.41Å; D344-Q348 PolarHBondContact O-N 3.09Å; D344-Q348 PolarHBondContact OD2-NE2 2.82Å; L345-Q348 PolarHBondContact O-N 3.18Å; Q348-Q351 PolarHBondContact O-N 3.49Å; Q348-Y352 VanDerWaalsContact O-CB 3.23Å; Q348-Y352 WeakPolarHBondContact O-CB 3.31Å; Q348-Y352 PolarHBondContact O-N 2.92Å
349	R	98.2	Very high	96.1	Very high	9 Å²	9	38.4 Å²	38.4	3%	0.034	17%	0.167	C	C	.	.	H	α-helix	trans	-56.5	-49.5	171.4	-79.5	177.8	174.5	179.7	1.9	111	D66 L67 R69 R277 F282 L294 L345 F346 Q351 Y352 T353	D66-R349 VanDerWaalsContact O-CZ 3.29Å; D66-R349 PolarHBondContact O-NE 3.5Å; D66-R349 PolarHBondContact O-NH2 3.05Å; L67-R349 HydrophobicContact CD2-CG 4.29Å; R69-R349 VanDerWaalsContact CZ-NH2 3.34Å; R277-R349 PolarHBondContact O-NH2 2.78Å; F282-R349 VanDerWaalsContact CE1-NH1 3.34Å; L294-R349 HydrophobicContact CD1-CB 4.05Å; L294-R349 HydrophobicContact CD2-CB 4.26Å; L345-R349 HydrophobicContact CD1-CG 4.23Å; L345-R349 WeakPolarHBondContact O-CB 3.45Å; L345-R349 VanDerWaalsContact O-CG 3.27Å; L345-R349 WeakPolarHBondContact O-CG 3.3Å; L345-R349 PolarHBondContact O-N 3.46Å; F346-R349 PolarHBondContact O-N 3.34Å; R349-Q351 PolarHBondContact O-N 2.92Å; R349-Y352 PolarHBondContact O-N 2.83Å; R349-T353 WeakPolarHBondContact O-CB 3.37Å; R349-T353 PolarHBondContact O-N 3.31Å; R349-T353 PolarHBondContact O-OG1 2.97Å
350	Y	97.2	Very high	95.7	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-59.2	-49.3	178.3	-172.8	-102.8	0	0	0	112.4	P50 P52 K290 F293 L294 F346 Q347 R354	P50-Y350 WeakPolarHBondContact O-CE1 3.36Å; P50-Y350 PolarHBondContact O-OH 2.64Å; P52-Y350 HydrophobicContact CB-CD1 4.4Å; P52-Y350 HydrophobicContact CB-CE1 4.4Å; P52-Y350 HydrophobicContact CG-CD1 4.38Å; P52-Y350 HydrophobicContact CG-CE1 4.11Å; K290-Y350 HydrophobicContact CB-CD2 3.72Å; K290-Y350 HydrophobicContact CB-CE2 3.83Å; K290-Y350 HydrophobicContact CB-CG 4.27Å; K290-Y350 HydrophobicContact CD-CD1 3.89Å; K290-Y350 HydrophobicContact CD-CD2 4.24Å; K290-Y350 HydrophobicContact CD-CE1 4.05Å; K290-Y350 HydrophobicContact CD-CE2 4.41Å; K290-Y350 HydrophobicContact CD-CG 3.99Å; K290-Y350 HydrophobicContact CG-CD1 4.22Å; K290-Y350 HydrophobicContact CG-CD2 3.86Å; K290-Y350 HydrophobicContact CG-CE1 4.05Å; K290-Y350 HydrophobicContact CG-CE2 3.69Å; K290-Y350 HydrophobicContact CG-CG 4.13Å; F293-Y350 HydrophobicContact CB-CD2 4.5Å; F293-Y350 HydrophobicContact CB-CE2 3.87Å; F293-Y350 AromaticContact CD1-CD2 3.59Å; F293-Y350 HydrophobicContact CD1-CD2 3.59Å; F293-Y350 AromaticContact CD1-CE2 3.4Å; F293-Y350 HydrophobicContact CD1-CE2 3.4Å; F293-Y350 HydrophobicContact CD2-CE2 4.49Å; F293-Y350 HydrophobicContact CE1-CD2 4.18Å; F293-Y350 HydrophobicContact CE1-CE2 4.06Å; F293-Y350 HydrophobicContact CG-CD2 4.28Å; F293-Y350 AromaticContact CG-CE2 3.67Å; F293-Y350 HydrophobicContact CG-CE2 3.67Å; L294-Y350 HydrophobicContact CG-CD2 4.25Å; F346-Y350 WeakPolarHBondContact O-CB 3.47Å; F346-Y350 PolarHBondContact O-N 2.61Å; Q347-Y350 PolarHBondContact O-N 2.86Å; Y350-R354 HydrophobicContact CD1-CG 4.24Å; Y350-R354 HydrophobicContact CD2-CG 4.4Å; Y350-R354 HydrophobicContact CE1-CG 3.9Å; Y350-R354 HydrophobicContact CE2-CG 4.06Å; Y350-R354 HydrophobicContact CG-CG 4.48Å; Y350-R354 WeakPolarHBondContact O-CB 3.34Å; Y350-R354 WeakPolarHBondContact O-CG 3.45Å; Y350-R354 PolarHBondContact O-N 3.5Å
351	Q	95.4	Very high	95.2	Very high	29 Å²	29	44.2 Å²	44.2	14%	0.136	19%	0.193	C	C	.	.	H	α-helix	trans	-59.3	-49.3	177.5	-82.4	-177.6	-11.8	0	0	112	P52 D53 Y56 Q347 Q348 R349 R354 Q355	P52-Q351 HydrophobicContact CB-CG 3.67Å; D53-Q351 PolarHBondContact O-NE2 3.43Å; Y56-Q351 VanDerWaalsContact CD1-NE2 3.26Å; Q347-Q351 WeakPolarHBondContact O-CB 3.41Å; Q347-Q351 WeakPolarHBondContact O-CG 3.46Å; Q347-Q351 PolarHBondContact O-N 3.19Å; Q348-Q351 PolarHBondContact O-N 3.49Å; R349-Q351 PolarHBondContact O-N 2.92Å; Q351-R354 PolarHBondContact O-N 3.36Å; Q351-Q355 WeakPolarHBondContact O-CB 3.33Å; Q351-Q355 VanDerWaalsContact O-CG 3.27Å; Q351-Q355 WeakPolarHBondContact O-CG 3.34Å; Q351-Q355 PolarHBondContact O-N 3.43Å
352	Y	95.9	Very high	94.8	Very high	44 Å²	44	50.6 Å²	50.6	17%	0.173	22%	0.217	C	C	.	.	H	α-helix	trans	-59.7	-53.2	-179.3	-179.6	-97.1	0	0	0	111.2	V64 L67 E68 Q348 R349 R354 Q355 Q356	V64-Y352 HydrophobicContact CG1-CE2 4.21Å; V64-Y352 WeakPolarHBondContact CG1-OH 3.39Å; V64-Y352 HydrophobicContact CG2-CE2 4.46Å; L67-Y352 HydrophobicContact CB-CD1 4.1Å; L67-Y352 HydrophobicContact CB-CG 4.02Å; L67-Y352 HydrophobicContact CD1-CD2 4.31Å; L67-Y352 HydrophobicContact CD1-CG 4.33Å; E68-Y352 HydrophobicContact CB-CE1 4.11Å; Q348-Y352 VanDerWaalsContact O-CB 3.23Å; Q348-Y352 WeakPolarHBondContact O-CB 3.31Å; Q348-Y352 PolarHBondContact O-N 2.92Å; R349-Y352 PolarHBondContact O-N 2.83Å; Y352-R354 PolarHBondContact O-N 2.91Å; Y352-Q355 PolarHBondContact O-N 3.34Å; Y352-Q355 VanDerWaalsContact O-N 3.15Å; Y352-Q356 HydrophobicContact CD1-CG 4.27Å; Y352-Q356 HydrophobicContact CE1-CG 3.84Å; Y352-Q356 HydrophobicContact CE2-CG 4.37Å; Y352-Q356 WeakPolarHBondContact O-CG 3.48Å; Y352-Q356 PolarHBondContact O-N 3.43Å
353	T	96.1	Very high	94.5	Very high	26 Å²	26	53.3 Å²	53.3	16%	0.16	23%	0.231	C	C	.	.	H	α-helix	trans	-60.7	-41.8	179.7	-54.8	0	0	0	0	112.1	F293 R297 R349 Q355 Q356 E357	F293-T353 HydrophobicContact CE1-CG2 3.61Å; F293-T353 HydrophobicContact CZ-CG2 3.94Å; R297-T353 HydrophobicContact CB-CG2 3.92Å; R297-T353 HydrophobicContact CG-CG2 3.9Å; R349-T353 WeakPolarHBondContact O-CB 3.37Å; R349-T353 PolarHBondContact O-N 3.31Å; R349-T353 PolarHBondContact O-OG1 2.97Å; T353-Q355 PolarHBondContact O-N 3.41Å; T353-Q356 PolarHBondContact O-N 2.96Å; T353-E357 PolarHBondContact O-N 3.33Å
354	R	93.5	Very high	94.1	Very high	9 Å²	9	54.5 Å²	54.5	3%	0.034	24%	0.237	C	C	.	.	H	α-helix	trans	-65.7	-34.8	176.4	-70.1	-76.5	-78.8	155.2	-9.9	112.8	D47 F49 P52 F293 Y350 Q351 Y352 E357 R358	D47-R354 VanDerWaalsContact CG-NH2 3.34Å; D47-R354 IonicContact OD1-CZ 3.32Å; D47-R354 IonicContact OD1-NH1 2.7Å; D47-R354 PolarHBondContact OD1-NH1 3.15Å; D47-R354 IonicContact OD1-NH2 2.8Å; D47-R354 PolarHBondContact OD1-NH2 3.07Å; D47-R354 IonicContact OD2-CZ 2.77Å; D47-R354 IonicContact OD2-NH1 3.37Å; D47-R354 PolarHBondContact OD2-NH1 3.06Å; D47-R354 IonicContact OD2-NH2 3.66Å; D47-R354 PolarHBondContact OD2-NH2 3.08Å; F49-R354 PolarHBondContact O-NH2 3.19Å; P52-R354 HydrophobicContact CG-CB 4.11Å; P52-R354 HydrophobicContact CG-CG 4.38Å; F293-R354 HydrophobicContact CD1-CG 4.49Å; F293-R354 HydrophobicContact CE1-CG 3.73Å; F293-R354 VanDerWaalsContact CE2-CD 3.42Å; F293-R354 HydrophobicContact CE2-CG 4.37Å; F293-R354 HydrophobicContact CZ-CG 3.68Å; Y350-R354 HydrophobicContact CD1-CG 4.24Å; Y350-R354 HydrophobicContact CD2-CG 4.4Å; Y350-R354 HydrophobicContact CE1-CG 3.9Å; Y350-R354 HydrophobicContact CE2-CG 4.06Å; Y350-R354 HydrophobicContact CG-CG 4.48Å; Y350-R354 WeakPolarHBondContact O-CB 3.34Å; Y350-R354 WeakPolarHBondContact O-CG 3.45Å; Y350-R354 PolarHBondContact O-N 3.5Å; Q351-R354 PolarHBondContact O-N 3.36Å; Y352-R354 PolarHBondContact O-N 2.91Å; R354-E357 IonicContact NH1-OE2 2.67Å; R354-R358 WeakPolarHBondContact O-CB 3.44Å; R354-R358 WeakPolarHBondContact O-CD 3.47Å; R354-R358 VanDerWaalsContact O-CG 3.24Å; R354-R358 WeakPolarHBondContact O-CG 3.47Å; R354-R358 PolarHBondContact O-N 3.11Å
355	Q	92.7	Very high	93.6	Very high	121 Å²	121	57.4 Å²	57.4	57%	0.565	25%	0.252	S	S	*	.	H	α-helix	trans	-68.2	-42.7	173.8	-74.1	172.7	4.3	0	0	111.3	Q351 Y352 T353 R358 W359	Q351-Q355 WeakPolarHBondContact O-CB 3.33Å; Q351-Q355 VanDerWaalsContact O-CG 3.27Å; Q351-Q355 WeakPolarHBondContact O-CG 3.34Å; Q351-Q355 PolarHBondContact O-N 3.43Å; Y352-Q355 PolarHBondContact O-N 3.34Å; Y352-Q355 VanDerWaalsContact O-N 3.15Å; T353-Q355 PolarHBondContact O-N 3.41Å; Q355-R358 PolarHBondContact O-N 3.22Å; Q355-W359 WeakPolarHBondContact O-CB 3.36Å; Q355-W359 PolarHBondContact O-N 3.46Å
356	Q	92.9	Very high	93.1	Very high	60 Å²	60	63.3 Å²	63.3	28%	0.28	28%	0.279	S	S	.	.	H	α-helix	trans	-61.4	-47.1	176.4	-68.2	-57.3	-29.7	0	0	112.2	Y352 T353 R358 W359 Q360	Y352-Q356 HydrophobicContact CD1-CG 4.27Å; Y352-Q356 HydrophobicContact CE1-CG 3.84Å; Y352-Q356 HydrophobicContact CE2-CG 4.37Å; Y352-Q356 WeakPolarHBondContact O-CG 3.48Å; Y352-Q356 PolarHBondContact O-N 3.43Å; T353-Q356 PolarHBondContact O-N 2.96Å; Q356-R358 PolarHBondContact O-N 3.07Å; Q356-W359 PolarHBondContact O-N 2.94Å; Q356-Q360 WeakPolarHBondContact O-CG 3.38Å; Q356-Q360 PolarHBondContact O-N 3.28Å
357	E	90.6	Very high	92.5	Very high	52 Å²	52	68.8 Å²	68.8	24%	0.243	31%	0.306	C	S	.	.	H	α-helix	trans	-57.5	-47.6	174.9	-74.9	-169.2	142.3	0	0	112.3	F293 R297 T353 R354 W359 Q360 Q361	F293-E357 WeakPolarHBondContact CE2-OE2 3.23Å; F293-E357 WeakPolarHBondContact CZ-OE2 3.45Å; R297-E357 IonicContact CZ-OE1 2.71Å; R297-E357 VanDerWaalsContact CZ-OE1 3.24Å; R297-E357 IonicContact NE-OE1 3.51Å; R297-E357 PolarHBondContact NE-OE1 3.02Å; R297-E357 IonicContact NE-OE2 2.72Å; R297-E357 IonicContact NH2-OE1 3.9Å; R297-E357 PolarHBondContact NH2-OE1 3.25Å; R297-E357 IonicContact NH2-OE2 2.71Å; T353-E357 PolarHBondContact O-N 3.33Å; R354-E357 IonicContact NH1-OE2 2.67Å; E357-W359 PolarHBondContact O-N 3.42Å; E357-Q360 PolarHBondContact O-N 3.44Å; E357-Q361 WeakPolarHBondContact O-CB 3.41Å; E357-Q361 PolarHBondContact O-N 2.91Å
358	R	89.9	Confident	91.9	Very high	104 Å²	104	73.8 Å²	73.8	39%	0.392	33%	0.33	S	S	.	.	H	α-helix	trans	-65.7	-25.1	179.1	-71.9	172.9	178.3	-163.3	-2.8	113.3	R354 Q355 Q356 R362	R354-R358 WeakPolarHBondContact O-CB 3.44Å; R354-R358 WeakPolarHBondContact O-CD 3.47Å; R354-R358 VanDerWaalsContact O-CG 3.24Å; R354-R358 WeakPolarHBondContact O-CG 3.47Å; R354-R358 PolarHBondContact O-N 3.11Å; Q355-R358 PolarHBondContact O-N 3.22Å; Q356-R358 PolarHBondContact O-N 3.07Å; R358-R362 WeakPolarHBondContact O-CG 3.49Å; R358-R362 PolarHBondContact O-N 3.38Å; R358-R362 PolarHBondContact O-NE 3.18Å
359	W	90.4	Very high	90.9	Very high	151 Å²	151	79.2 Å²	79.2	57%	0.572	36%	0.355	S	S	*	.	H	α-helix	trans	-79.6	-47.6	174.8	-178.2	75.7	0	0	0	110.8	Q355 Q356 E357 Q361 R362 I363	Q355-W359 WeakPolarHBondContact O-CB 3.36Å; Q355-W359 PolarHBondContact O-N 3.46Å; Q356-W359 PolarHBondContact O-N 2.94Å; E357-W359 PolarHBondContact O-N 3.42Å; W359-Q361 VanDerWaalsContact C-N 3.32Å; W359-Q361 PolarHBondContact O-N 2.9Å; W359-R362 PolarHBondContact O-N 3.08Å; W359-I363 HydrophobicContact CD2-CD1 3.72Å; W359-I363 VanDerWaalsContact CE2-CD1 3.48Å; W359-I363 HydrophobicContact CE3-CD1 3.86Å; W359-I363 HydrophobicContact CG-CD1 4.5Å; W359-I363 HydrophobicContact CH2-CD1 3.58Å; W359-I363 HydrophobicContact CZ2-CD1 3.43Å; W359-I363 VanDerWaalsContact CZ2-CD1 3.43Å; W359-I363 HydrophobicContact CZ3-CD1 3.79Å; W359-I363 PolarHBondContact O-N 3.03Å
360	Q	90.3	Very high	89.9	Confident	99 Å²	99	82 Å²	82	46%	0.463	38%	0.376	S	S	.	.	H	α-helix	trans	-58.2	-41.8	174.2	-70.1	176.8	12.9	0	0	112.2	Q356 E357 I363 K364	Q356-Q360 WeakPolarHBondContact O-CG 3.38Å; Q356-Q360 PolarHBondContact O-N 3.28Å; E357-Q360 PolarHBondContact O-N 3.44Å; Q360-I363 PolarHBondContact O-N 2.99Å; Q360-K364 WeakPolarHBondContact O-CG 3.21Å; Q360-K364 PolarHBondContact O-N 3.11Å
361	Q	89.1	Confident	88.5	Confident	95 Å²	95	91.8 Å²	91.8	44%	0.444	41%	0.413	S	S	.	.	H	α-helix	trans	-65.3	-41.2	177.3	-167	62.8	25.5	0	0	111.9	E357 W359 I363 K364 N365	E357-Q361 WeakPolarHBondContact O-CB 3.41Å; E357-Q361 PolarHBondContact O-N 2.91Å; W359-Q361 VanDerWaalsContact C-N 3.32Å; W359-Q361 PolarHBondContact O-N 2.9Å; Q361-I363 VanDerWaalsContact C-N 3.33Å; Q361-I363 PolarHBondContact O-N 2.86Å; Q361-K364 PolarHBondContact O-N 3Å; Q361-N365 PolarHBondContact NE2-OD1 3.05Å; Q361-N365 WeakPolarHBondContact O-CB 3.3Å; Q361-N365 PolarHBondContact O-N 2.89Å; Q361-N365 PolarHBondContact O-OD1 2.88Å; Q361-N365 VanDerWaalsContact O-OD1 3.05Å
362	R	90.6	Very high	86.8	Confident	154 Å²	154	97.1 Å²	97.1	58%	0.581	44%	0.438	S	S	*	.	H	α-helix	trans	-61.7	-40.3	174.8	-82.3	-177	-89.1	-162.8	-0.6	112.3	R358 W359 N365 H366	R358-R362 WeakPolarHBondContact O-CG 3.49Å; R358-R362 PolarHBondContact O-N 3.38Å; R358-R362 PolarHBondContact O-NE 3.18Å; W359-R362 PolarHBondContact O-N 3.08Å; R362-N365 PolarHBondContact O-N 3.5Å; R362-H366 PolarHBondContact O-CD2 3.06Å; R362-H366 PolarHBondContact O-N 3.18Å
363	I	91.7	Very high	84.9	Confident	57 Å²	57	97.2 Å²	97.2	29%	0.292	45%	0.452	S	S	.	.	H	α-helix	trans	-63	-47.4	174.4	-69.8	171.9	0	0	0	111.2	W359 Q360 Q361 N365 H366 M367	W359-I363 HydrophobicContact CD2-CD1 3.72Å; W359-I363 VanDerWaalsContact CE2-CD1 3.48Å; W359-I363 HydrophobicContact CE3-CD1 3.86Å; W359-I363 HydrophobicContact CG-CD1 4.5Å; W359-I363 HydrophobicContact CH2-CD1 3.58Å; W359-I363 HydrophobicContact CZ2-CD1 3.43Å; W359-I363 VanDerWaalsContact CZ2-CD1 3.43Å; W359-I363 HydrophobicContact CZ3-CD1 3.79Å; W359-I363 PolarHBondContact O-N 3.03Å; Q360-I363 PolarHBondContact O-N 2.99Å; Q361-I363 VanDerWaalsContact C-N 3.33Å; Q361-I363 PolarHBondContact O-N 2.86Å; I363-N365 PolarHBondContact O-N 3.24Å; I363-H366 PolarHBondContact O-N 2.88Å; I363-M367 HydrophobicContact CG2-CE 3.72Å; I363-M367 HydrophobicContact CG2-CG 4.38Å; I363-M367 HydrophobicContact CG2-SD 3.97Å; I363-M367 WeakPolarHBondContact O-CG 3.45Å; I363-M367 PolarHBondContact O-N 3.46Å
364	K	90.3	Very high	82.8	Confident	112 Å²	112	102.6 Å²	102.6	49%	0.487	48%	0.479	S	S	.	.	H	α-helix	trans	-57.7	-48.1	176.7	-72.9	174.3	-177.7	177.9	0	111.8	Q360 Q361 H366 M367 Q368	Q360-K364 WeakPolarHBondContact O-CG 3.21Å; Q360-K364 PolarHBondContact O-N 3.11Å; Q361-K364 PolarHBondContact O-N 3Å; K364-H366 PolarHBondContact O-N 3.13Å; K364-M367 PolarHBondContact O-N 3.27Å; K364-Q368 WeakPolarHBondContact O-CG 3.35Å; K364-Q368 PolarHBondContact O-N 2.91Å
365	N	88.8	Confident	80.6	Confident	67 Å²	67	105.3 Å²	105.3	36%	0.358	51%	0.511	S	S	.	.	H	α-helix	trans	-59.9	-44.6	178.8	-66.9	11.4	0	0	0	111.2	Q361 R362 I363 Q368 Q369	Q361-N365 PolarHBondContact NE2-OD1 3.05Å; Q361-N365 WeakPolarHBondContact O-CB 3.3Å; Q361-N365 PolarHBondContact O-N 2.89Å; Q361-N365 PolarHBondContact O-OD1 2.88Å; Q361-N365 VanDerWaalsContact O-OD1 3.05Å; R362-N365 PolarHBondContact O-N 3.5Å; I363-N365 PolarHBondContact O-N 3.24Å; N365-Q368 PolarHBondContact O-N 2.93Å; N365-Q369 WeakPolarHBondContact O-CB 3.37Å; N365-Q369 WeakPolarHBondContact O-CG 3.47Å; N365-Q369 PolarHBondContact O-N 3.48Å
366	H	88	Confident	78.3	Confident	124 Å²	124	107.3 Å²	107.3	57%	0.574	52%	0.524	S	S	*	.	H	α-helix	trans	-64.5	-39.2	175.5	-78.7	-54.7	0	0	0	113.2	R362 I363 K364 Q368 Q369 S370	R362-H366 PolarHBondContact O-CD2 3.06Å; R362-H366 PolarHBondContact O-N 3.18Å; I363-H366 PolarHBondContact O-N 2.88Å; K364-H366 PolarHBondContact O-N 3.13Å; H366-Q368 VanDerWaalsContact C-N 3.34Å; H366-Q369 PolarHBondContact O-N 3.44Å; H366-S370 PolarHBondContact O-N 2.61Å; H366-S370 PolarHBondContact O-OG 2.92Å
367	M	86.4	Confident	75.8	Confident	117 Å²	117	109.4 Å²	109.4	58%	0.576	55%	0.545	S	S	*	.	H	α-helix	trans	-68	-31.5	175.8	-72.9	-179.2	173.2	0	0	113.1	I363 K364 S370 R371	I363-M367 HydrophobicContact CG2-CE 3.72Å; I363-M367 HydrophobicContact CG2-CG 4.38Å; I363-M367 HydrophobicContact CG2-SD 3.97Å; I363-M367 WeakPolarHBondContact O-CG 3.45Å; I363-M367 PolarHBondContact O-N 3.46Å; K364-M367 PolarHBondContact O-N 3.27Å; M367-S370 PolarHBondContact O-OG 3.37Å; M367-R371 WeakPolarHBondContact O-CG 3.47Å; M367-R371 PolarHBondContact O-N 3.45Å
368	Q	83.4	Confident	73.4	Confident	116 Å²	116	113.7 Å²	113.7	54%	0.542	58%	0.575	S	S	.	*	H	α-helix	trans	-71.2	-44.9	173.1	-73.5	170.2	-25.7	0	0	111	K364 N365 H366 S370 R371 Q372	K364-Q368 WeakPolarHBondContact O-CG 3.35Å; K364-Q368 PolarHBondContact O-N 2.91Å; N365-Q368 PolarHBondContact O-N 2.93Å; H366-Q368 VanDerWaalsContact C-N 3.34Å; Q368-S370 PolarHBondContact O-N 3.36Å; Q368-R371 PolarHBondContact O-N 3.27Å; Q368-Q372 WeakPolarHBondContact O-CG 3.3Å; Q368-Q372 PolarHBondContact O-N 3.37Å
369	Q	78.5	Confident	71.2	Confident	118 Å²	118	112 Å²	112	55%	0.551	59%	0.59	S	S	*	*	H	α-helix	trans	-62.6	-40.8	176.5	-73.9	173.6	-12.4	0	0	112.6	N365 H366 Q372 G373	N365-Q369 WeakPolarHBondContact O-CB 3.37Å; N365-Q369 WeakPolarHBondContact O-CG 3.47Å; N365-Q369 PolarHBondContact O-N 3.48Å; H366-Q369 PolarHBondContact O-N 3.44Å; Q369-Q372 PolarHBondContact O-N 2.95Å; Q369-G373 PolarHBondContact O-N 3.11Å
370	S	77.2	Confident	68.7	Low	67 Å²	67	112.5 Å²	112.5	47%	0.469	60%	0.603	S	S	.	*	H	α-helix	trans	-67.6	-37	177.6	65.6	0	0	0	0	112.7	H366 M367 Q368 Q372 G373 L374	H366-S370 PolarHBondContact O-N 2.61Å; H366-S370 PolarHBondContact O-OG 2.92Å; M367-S370 PolarHBondContact O-OG 3.37Å; Q368-S370 PolarHBondContact O-N 3.36Å; S370-Q372 VanDerWaalsContact C-N 3.34Å; S370-G373 PolarHBondContact O-N 3.45Å; S370-L374 PolarHBondContact O-N 3.22Å; S370-L374 VanDerWaalsContact O-N 3.17Å
371	R	67.5	Low	65.9	Low	205 Å²	205	119.5 Å²	119.5	77%	0.774	63%	0.625	S	S	*	*	H	α-helix	trans	-64.2	-35.9	171.7	-78.4	179.9	171	-169.2	-2.9	112.9	M367 Q368	M367-R371 WeakPolarHBondContact O-CG 3.47Å; M367-R371 PolarHBondContact O-N 3.45Å; Q368-R371 PolarHBondContact O-N 3.27Å
372	Q	60.1	Low	63.3	Low	141 Å²	141	120.8 Å²	120.8	66%	0.659	64%	0.642	S	S	*	*	H	α-helix	trans	-74.3	-38.1	175.7	-72	173.1	-13.5	0	0	112.2	Q368 Q369 S370 L374 G375	Q368-Q372 WeakPolarHBondContact O-CG 3.3Å; Q368-Q372 PolarHBondContact O-N 3.37Å; Q369-Q372 PolarHBondContact O-N 2.95Å; S370-Q372 VanDerWaalsContact C-N 3.34Å; Q372-L374 VanDerWaalsContact C-N 3.32Å; Q372-L374 PolarHBondContact O-N 3.01Å; Q372-G375 PolarHBondContact O-N 3.41Å; Q372-G375 VanDerWaalsContact O-N 3.13Å
373	G	55.4	Low	60.4	Low	47 Å²	47	119.6 Å²	119.6	49%	0.485	66%	0.657	S	S	.	*	H	α-helix	trans	-65.1	-30.9	176.9	0	0	0	0	0	114.2	Q369 S370 G375 L376	Q369-G373 PolarHBondContact O-N 3.11Å; S370-G373 PolarHBondContact O-N 3.45Å; G373-G375 PolarHBondContact O-N 3.22Å; G373-L376 PolarHBondContact O-N 2.97Å
374	L	51.9	Low	57.4	Low	138 Å²	138	129 Å²	129	72%	0.723	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.8	-11.6	174	-78.2	160.9	0	0	0	113.8	S370 Q372	S370-L374 PolarHBondContact O-N 3.22Å; S370-L374 VanDerWaalsContact O-N 3.17Å; Q372-L374 VanDerWaalsContact C-N 3.32Å; Q372-L374 PolarHBondContact O-N 3.01Å
375	G	46.1	Very low	54.5	Low	67 Å²	67	127.1 Å²	127.1	69%	0.691	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.9	-6.1	175.9	0	0	0	0	0	115.3	Q372 G373	Q372-G375 PolarHBondContact O-N 3.41Å; Q372-G375 VanDerWaalsContact O-N 3.13Å; G373-G375 PolarHBondContact O-N 3.22Å
376	L	44.8	Very low	51.7	Low	163 Å²	163	133 Å²	133	85%	0.853	73%	0.726	S	S	*	*	S	Bend	trans	-120.9	11.8	-171.7	-86.7	157.2	0	0	0	114.2	G373	G373-L376 PolarHBondContact O-N 2.97Å
377	S	40.5	Very low	48.7	Very low	103 Å²	103	131.3 Å²	131.3	72%	0.72	73%	0.734	S	S	*	*			trans	-141.2	63.8	178.3	-166.4	0	0	0	0	112.6
378	V	40.9	Very low	45.9	Very low	143 Å²	143	130.4 Å²	130.4	87%	0.867	74%	0.739	S	S	*	*			trans	-134.8	87.4	161.3	-174	0	0	0	0	108.2
379	G	43.5	Very low	43.2	Very low	68 Å²	68	132 Å²	132	70%	0.701	75%	0.751	S	S	*	*			trans	178.6	54.8	-174.7	0	0	0	0	0	114.8
380	L	38.6	Very low	40.8	Very low	162 Å²	162	134.6 Å²	134.6	85%	0.848	76%	0.763	S	S	*	*	S	Bend	trans	-172.7	89.5	146.4	-125	78	0	0	0	111.2
381	W	30.5	Very low	38.4	Very low	245 Å²	245	136.1 Å²	136.1	93%	0.928	77%	0.773	S	S	*	*			trans	-176.1	145.9	134.6	-89.8	-19.9	0	0	0	111.2
382	P	34.2	Very low	36.4	Very low	123 Å²	123	132 Å²	132	80%	0.799	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-94	123.4	-170.9	34.5	-31.9	0	0	0	113
383	S	29.3	Very low	34.8	Very low	128 Å²	128	131.6 Å²	131.6	90%	0.895	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-84.3	119.3	168.3	-65.5	0	0	0	0	111.2
384	R	29.7	Very low	33.5	Very low	255 Å²	255	136.9 Å²	136.9	96%	0.962	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-71.7	140.5	166.6	-130	172.4	179.5	178.4	-1.8	108.7
385	G	28.3	Very low	32.3	Very low	72 Å²	72	139.2 Å²	139.2	74%	0.742	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-98	174	-166.2	0	0	0	0	0	116.6
386	Q	30.1	Very low	31.5	Very low	190 Å²	190	139.9 Å²	139.9	89%	0.888	80%	0.799	S	S	*	*			trans	-169.5	128	150.1	-99.6	164.9	-3.8	0	0	104.9
387	A	26.8	Very low	30.7	Very low	89 Å²	89	139.4 Å²	139.4	74%	0.736	80%	0.798	S	S	*	*				57.8	134.3	79.1	0	0	0	0	0	112.7
388	S	26.2	Very low	30.1	Very low	98 Å²	98	143.9 Å²	143.9	69%	0.685	80%	0.799	S	S	*	*			cis	-177.4	-178.9	-7	39.2	0	0	0	0	109
389	L	28	Very low	29.5	Very low	151 Å²	151	144.8 Å²	144.8	79%	0.791	79%	0.793	S	S	*	*			trans	75.4	131.9	178	-63.3	98.5	0	0	0	116.2
390	Q	26.3	Very low	28.7	Very low	171 Å²	171	151.5 Å²	151.5	80%	0.799	80%	0.797	S	S	*	*			cis	116.1	151.5	8.9	-172.3	171.1	17.3	0	0	113
391	S	27.2	Very low	28.1	Very low	99 Å²	99	146.5 Å²	146.5	69%	0.692	79%	0.786	S	S	*	*			trans	97.4	110.9	-177.7	69.2	0	0	0	0	114.6
392	T	26.3	Very low	28	Very low	118 Å²	118	142.8 Å²	142.8	72%	0.724	78%	0.778	S	S	*	*				74.7	129.2	55.7	68.1	0	0	0	0	111.8
393	L	26.8	Very low	27.7	Very low	134 Å²	134	146.3 Å²	146.3	70%	0.702	78%	0.776	S	S	*	*			cis	-153.9	164.7	34.7	-86.1	106.6	0	0	0	113.3
394	E	27.2	Very low	27.6	Very low	158 Å²	158	146.9 Å²	146.9	74%	0.738	76%	0.764	S	S	*	*				16.4	158.9	127.9	-59.4	165.1	-170.5	0	0	120.6
395	E	28.1	Very low	27.6	Very low	186 Å²	186	144.1 Å²	144.1	87%	0.869	76%	0.762	S	S	*	*			cis	-163.1	168.7	-9.7	-117.6	-175.1	168.9	0	0	107
396	G	27.4	Very low	27.5	Very low	82 Å²	82	151.5 Å²	151.5	85%	0.845	77%	0.768	S	S	*	*			trans	172.5	121.9	171.6	0	0	0	0	0	116
397	D	28.2	Very low	27.5	Very low	153 Å²	153	151.9 Å²	151.9	82%	0.818	77%	0.769	S	S	*	*			trans	-113.1	173.1	-156.3	-153.7	1.1	0	0	0	115.4
398	R	28	Very low	27.5	Very low	197 Å²	197	155.3 Å²	155.3	74%	0.743	78%	0.775	S	S	*	*			trans	90.8	117	157.3	-73.8	177.9	176.9	152.1	4.5	124.5
399	E	28.5	Very low	27.5	Very low	162 Å²	162	154 Å²	154	76%	0.757	78%	0.778	S	S	*	*				49.8	151.8	114.9	-66.3	-171	135.4	0	0	122
400	R	27	Very low	27.6	Very low	208 Å²	208	155.9 Å²	155.9	79%	0.785	78%	0.783	S	S	*	*			cis	-176.4	157.3	-7.6	162.1	179.8	175.6	-162.1	-3.9	110.2	E402	R400-E402 IonicContact NH2-OE1 3.64Å
401	G	27	Very low	27.6	Very low	58 Å²	58	156.5 Å²	156.5	60%	0.598	79%	0.785	S	S	*	*			trans	104.2	117.7	154.2	0	0	0	0	0	116.9
402	E	28.3	Very low	27.5	Very low	166 Å²	166	155.5 Å²	155.5	78%	0.776	79%	0.791	S	S	*	*				83.1	149.9	80.4	-77.8	173.8	-140.9	0	0	113.9	R400	R400-E402 IonicContact NH2-OE1 3.64Å
403	R	26.7	Very low	27.5	Very low	197 Å²	197	154 Å²	154	74%	0.743	80%	0.799	S	S	*	*			cis	-162.3	155.3	-38.8	-166.6	178.8	173.9	-165.3	-13	108.8
404	E	28.6	Very low	27.4	Very low	140 Å²	140	157 Å²	157	65%	0.654	80%	0.801	S	S	*	*			trans	15.7	142.3	159.6	-71.4	157.2	-147.2	0	0	123.4
405	E	28.5	Very low	27.5	Very low	198 Å²	198	156.4 Å²	156.4	93%	0.925	81%	0.808	S	S	*	*				-159.9	167.1	118.8	-115.7	171.2	-164.4	0	0	113.7
406	R	26.9	Very low	27.4	Very low	226 Å²	226	156 Å²	156	85%	0.853	81%	0.806	S	S	*	*			trans	-129	164.7	-175.1	-73	177.7	170.9	178.1	-3.6	110.8
407	E	28.8	Very low	27.4	Very low	198 Å²	198	161.7 Å²	161.7	93%	0.925	81%	0.811	S	S	*	*			trans	-168.2	167.9	136.6	-110.7	173.6	-173.5	0	0	113
408	D	27.9	Very low	27.3	Very low	161 Å²	161	159.5 Å²	159.5	86%	0.861	81%	0.814	S	S	*	*			trans	-125.1	175.7	-169.2	-79.2	-82.5	0	0	0	111.9
409	G	26.8	Very low	27.2	Very low	71 Å²	71	153.6 Å²	153.6	73%	0.732	82%	0.815	S	S	*	*			cis	-141	-120.7	7.5	0	0	0	0	0	113.3
410	E	28.5	Very low	27.1	Very low	191 Å²	191	150.7 Å²	150.7	89%	0.893	82%	0.818	S	S	*	*			cis	-159.9	-126.6	-1.8	-153.3	-172.2	-142.3	0	0	112.7
411	E	27.1	Very low	27.1	Very low	183 Å²	183	149.5 Å²	149.5	86%	0.855	81%	0.814	S	S	*	*			trans	-82.5	171.4	-172.6	-63.2	-162.4	134.1	0	0	116.1
412	G	24.4	Very low	27.3	Very low	78 Å²	78	154.3 Å²	154.3	80%	0.804	83%	0.825	S	S	*	*			cis	174.8	-179.6	0.2	0	0	0	0	0	111.4
413	G	26.3	Very low	27.5	Very low	88 Å²	88	151.8 Å²	151.8	91%	0.907	82%	0.823	S	S	*	*			trans	117.8	120	167.7	0	0	0	0	0	117.1
414	R	26.1	Very low	28.2	Very low	197 Å²	197	148.7 Å²	148.7	74%	0.743	83%	0.826	S	S	*	*			trans	-141	136.1	177.1	-173.9	-167.4	-108.8	165.7	5.1	108.7
415	T	28.4	Very low	28.7	Very low	145 Å²	145	146.7 Å²	146.7	89%	0.89	82%	0.817	S	S	*	*			trans	-127.2	140.6	166.8	40	0	0	0	0	110.3
416	E	26.3	Very low	29	Very low	177 Å²	177	143.1 Å²	143.1	83%	0.827	80%	0.804	S	S	*	*			trans	-106.7	147.3	176.6	-62.1	-173.7	137.9	0	0	109.5
417	E	27.8	Very low	29.3	Very low	202 Å²	202	141.2 Å²	141.2	94%	0.944	80%	0.798	S	S	*	*			trans	-145.9	139.6	160.9	-141.1	174.9	-158.4	0	0	110.3
418	A	24.9	Very low	29.6	Very low	107 Å²	107	137.5 Å²	137.5	88%	0.884	78%	0.782	S	S	*	*			trans	-99.8	146.1	-166.9	0	0	0	0	0	112.4
419	G	26.3	Very low	30	Very low	73 Å²	73	134.6 Å²	134.6	75%	0.753	77%	0.767	S	S	*	*			trans	-147.6	119.6	179.5	0	0	0	0	0	112.8
420	A	26.1	Very low	30.3	Very low	101 Å²	101	138 Å²	138	84%	0.835	76%	0.764	S	S	*	*			trans	-45	146.2	-168.4	0	0	0	0	0	117.6
421	R	27.3	Very low	30.8	Very low	183 Å²	183	133.7 Å²	133.7	69%	0.691	75%	0.745	S	S	*	*			trans	-92.5	141.9	166.1	-66.9	-178.3	-177.7	158.8	5.7	110.3	G113	G113-R421 VanDerWaalsContact CA-NH2 3.27Å
422	L	31.2	Very low	31.4	Very low	159 Å²	159	131.1 Å²	131.1	83%	0.832	74%	0.736	S	S	*	*			trans	-116.2	146.9	161.7	-76.3	172.1	0	0	0	109.4	T424	L422-T424 PolarHBondContact O-N 3.45Å
423	P	33.3	Very low	31.7	Very low	112 Å²	112	136.9 Å²	136.9	73%	0.727	74%	0.739	S	S	*	*	S	Bend	trans	-91	107.8	-154.9	33.3	-34.8	0	0	0	113.8
424	T	41.3	Very low	31.9	Very low	132 Å²	132	143 Å²	143	81%	0.81	74%	0.735	S	S	*	*			trans	-144.4	3.4	164.7	46.6	0	0	0	0	114.7	L422	L422-T424 PolarHBondContact O-N 3.45Å
425	E	39.4	Very low	32.2	Very low	98 Å²	98	147.9 Å²	147.9	46%	0.458	75%	0.754	S	S	.	*			trans	-97.8	-15.7	-168.1	-66.3	-169.4	131.4	0	0	115.5	Y427 M428 N429	E425-Y427 VanDerWaalsContact C-N 3.35Å; E425-Y427 PolarHBondContact O-N 3.48Å; E425-M428 PolarHBondContact O-N 3.43Å; E425-N429 PolarHBondContact O-ND2 3.27Å
426	D	33.4	Very low	32.4	Very low	123 Å²	123	148.1 Å²	148.1	66%	0.658	75%	0.747	S	S	*	*	H	α-helix	trans	-70.8	-23.2	-170.2	-69.1	-41.6	0	0	0	115.1
427	Y	34.3	Very low	32.7	Very low	186 Å²	186	146.5 Å²	146.5	73%	0.729	74%	0.743	S	S	*	*	H	α-helix	trans	-75.5	-30.1	-179.4	-163.9	-102.5	0	0	0	113.8	E425	E425-Y427 VanDerWaalsContact C-N 3.35Å; E425-Y427 PolarHBondContact O-N 3.48Å
428	M	34.4	Very low	33	Very low	120 Å²	120	143.4 Å²	143.4	59%	0.591	73%	0.732	S	S	*	*	H	α-helix	trans	-88.9	-25.3	-178.8	-68.4	-62.3	-62.6	0	0	113.1	E425 Q430 I431	E425-M428 PolarHBondContact O-N 3.43Å; M428-Q430 VanDerWaalsContact C-N 3.31Å; M428-Q430 PolarHBondContact O-N 3.09Å; M428-I431 PolarHBondContact O-N 3.46Å; M428-I431 HydrophobicContact SD-CD1 4.42Å
429	N	36	Very low	33.5	Very low	101 Å²	101	145.6 Å²	145.6	54%	0.54	72%	0.723	S	S	.	*	H	α-helix	trans	-72.5	-22.7	178.7	-75	-28.4	0	0	0	113.1	E425 I431	E425-N429 PolarHBondContact O-ND2 3.27Å; N429-I431 VanDerWaalsContact C-N 3.29Å; N429-I431 PolarHBondContact O-N 3.26Å
430	Q	34	Very low	33.9	Very low	143 Å²	143	150.1 Å²	150.1	67%	0.668	72%	0.721	S	S	*	*	H	α-helix	trans	-70	-22.3	175.6	-70.5	-174	2.7	0	0	113.6	M428	M428-Q430 VanDerWaalsContact C-N 3.31Å; M428-Q430 PolarHBondContact O-N 3.09Å
431	I	38.9	Very low	34.5	Very low	99 Å²	99	153.4 Å²	153.4	51%	0.508	71%	0.713	S	S	.	*	H	α-helix	trans	-80.1	-25.4	-175.3	-60.9	177.5	0	0	0	112.2	M428 N429	M428-I431 PolarHBondContact O-N 3.46Å; M428-I431 HydrophobicContact SD-CD1 4.42Å; N429-I431 VanDerWaalsContact C-N 3.29Å; N429-I431 PolarHBondContact O-N 3.26Å
432	I	38.8	Very low	35	Very low	130 Å²	130	151.3 Å²	151.3	67%	0.667	72%	0.715	S	S	*	*	H	α-helix	trans	-91.3	-11.9	-176.2	-62.2	177.3	0	0	0	112.8
433	K	30.8	Very low	35.3	Very low	199 Å²	199	150.7 Å²	150.7	87%	0.865	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100	11.9	178.1	-80.4	-163.4	172.5	-169.9	0	114.6
434	R	31.2	Very low	35.4	Very low	216 Å²	216	153.9 Å²	153.9	82%	0.815	70%	0.704	S	S	*	*			trans	-132.1	13.2	-175.9	-137.3	178.8	-172.6	-177.7	1.6	116
435	W	32.4	Very low	34.9	Very low	300 Å²	300	155.9 Å²	155.9	100%	1.136	69%	0.694	S	S	*	*			trans	-147.9	0	171.2	-64.7	99.9	0	0	0	109.6

Retrieved 435 of 435 residues in 82.3 ms (Link to these results)

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