A0A077Z9Z9_TRITR Loading...

3-phosphoinositide-dependent protein kinase 1

AlphaFold DB , UniProt , Accession A0A077Z9Z9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 645 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37	Very low	47.7	Very low	200 Å²	200	104.2 Å²	104.2	99%	0.985	58%	0.579	S	S	*	*				0	-59.3	0	-88.1	174.2	174.7	0	0	111.3	N3 V4 I5	M1-N3 PolarHBondContact O-N 3.31Å; M1-V4 WeakPolarHBondContact O-CB 3.07Å; M1-V4 PolarHBondContact O-N 3.3Å; M1-I5 PolarHBondContact O-N 3.13Å
2	T	39.7	Very low	48	Very low	90 Å²	90	104.4 Å²	104.4	55%	0.552	58%	0.575	S	S	*	*	H	α-helix	trans	-45.8	-54.9	-174.1	-27.5	0	0	0	0	114.3	V4 I5 E6	T2-V4 PolarHBondContact O-N 3.08Å; T2-V4 VanDerWaalsContact O-N 3.09Å; T2-I5 WeakPolarHBondContact O-CB 3.33Å; T2-I5 PolarHBondContact O-N 3.1Å; T2-E6 PolarHBondContact O-N 3.21Å
3	N	46.7	Very low	48.2	Very low	128 Å²	128	106.3 Å²	106.3	68%	0.684	58%	0.577	S	S	*	*	H	α-helix	trans	-60.8	-25.4	-177.9	-50.7	30.3	0	0	0	114.1	M1 A7	M1-N3 PolarHBondContact O-N 3.31Å; N3-A7 WeakPolarHBondContact O-CB 3.43Å; N3-A7 PolarHBondContact O-N 3.44Å
4	V	42.2	Very low	48.3	Very low	109 Å²	109	108.1 Å²	108.1	66%	0.661	58%	0.577	S	S	*	*	H	α-helix	trans	-80	-36.5	177.2	-179.4	0	0	0	0	110.4	M1 T2 F8	M1-V4 WeakPolarHBondContact O-CB 3.07Å; M1-V4 PolarHBondContact O-N 3.3Å; T2-V4 PolarHBondContact O-N 3.08Å; T2-V4 VanDerWaalsContact O-N 3.09Å; V4-F8 WeakPolarHBondContact O-CB 3.35Å; V4-F8 PolarHBondContact O-N 2.85Å
5	I	49.1	Very low	47.9	Very low	117 Å²	117	104.5 Å²	104.5	60%	0.6	57%	0.568	S	S	*	*	H	α-helix	trans	-69	-43.3	176.4	-63	169.4	0	0	0	110	M1 T2 F8 S9	M1-I5 PolarHBondContact O-N 3.13Å; T2-I5 WeakPolarHBondContact O-CB 3.33Å; T2-I5 PolarHBondContact O-N 3.1Å; I5-F8 PolarHBondContact O-N 3.26Å; I5-S9 WeakPolarHBondContact O-CB 3.11Å; I5-S9 PolarHBondContact O-N 2.89Å
6	E	51.6	Low	47.5	Very low	121 Å²	121	102.5 Å²	102.5	57%	0.565	56%	0.56	S	S	*	*	H	α-helix	trans	-62.4	-44	175.3	-70.9	172.8	164.9	0	0	112.2	T2 F8 S9 S10	T2-E6 PolarHBondContact O-N 3.21Å; E6-F8 VanDerWaalsContact C-N 3.34Å; E6-F8 PolarHBondContact O-N 3.02Å; E6-S9 PolarHBondContact O-N 3.34Å; E6-S10 WeakPolarHBondContact O-CB 3.24Å; E6-S10 PolarHBondContact O-N 3.43Å
7	A	52.4	Low	47.4	Very low	55 Å²	55	101.1 Å²	101.1	46%	0.455	56%	0.555	S	S	.	*	H	α-helix	trans	-63.6	-38.1	175.7	0	0	0	0	0	112.6	N3 T11	N3-A7 WeakPolarHBondContact O-CB 3.43Å; N3-A7 PolarHBondContact O-N 3.44Å; A7-T11 PolarHBondContact O-N 3.04Å; A7-T11 PolarHBondContact O-OG1 3.03Å
8	F	47.4	Very low	47.2	Very low	126 Å²	126	102.2 Å²	102.2	55%	0.553	56%	0.56	S	S	*	*	H	α-helix	trans	-68.5	-43.3	176.1	-162.9	-95.4	0	0	0	111.5	V4 I5 E6 T11 M12	V4-F8 WeakPolarHBondContact O-CB 3.35Å; V4-F8 PolarHBondContact O-N 2.85Å; I5-F8 PolarHBondContact O-N 3.26Å; E6-F8 VanDerWaalsContact C-N 3.34Å; E6-F8 PolarHBondContact O-N 3.02Å; F8-T11 PolarHBondContact O-N 3.15Å; F8-M12 HydrophobicContact CD1-CG 4.11Å; F8-M12 HydrophobicContact CE1-CG 3.99Å; F8-M12 HydrophobicContact CE1-SD 4.41Å; F8-M12 WeakPolarHBondContact O-CG 3.33Å; F8-M12 PolarHBondContact O-N 3.23Å
9	S	50.8	Low	46.8	Very low	64 Å²	64	104.7 Å²	104.7	45%	0.448	57%	0.567	S	S	.	*	H	α-helix	trans	-63	-44.8	177.1	-156.6	0	0	0	0	112	I5 E6 T11 M12 E13	I5-S9 WeakPolarHBondContact O-CB 3.11Å; I5-S9 PolarHBondContact O-N 2.89Å; E6-S9 PolarHBondContact O-N 3.34Å; S9-T11 VanDerWaalsContact C-N 3.31Å; S9-T11 PolarHBondContact O-N 3.21Å; S9-M12 PolarHBondContact O-N 3.46Å; S9-E13 PolarHBondContact O-N 2.95Å
10	S	54.6	Low	46.5	Very low	42 Å²	42	105.6 Å²	105.6	29%	0.294	57%	0.571	S	S	.	*	H	α-helix	trans	-63.6	-34.8	177.2	-173.3	0	0	0	0	112.8	E6 K14	E6-S10 WeakPolarHBondContact O-CB 3.24Å; E6-S10 PolarHBondContact O-N 3.43Å; S10-K14 WeakPolarHBondContact O-CD 3.38Å; S10-K14 VanDerWaalsContact O-CG 3.29Å; S10-K14 WeakPolarHBondContact O-CG 3.43Å; S10-K14 PolarHBondContact O-N 3.29Å; S10-K14 PolarHBondContact OG-NZ 3.26Å; S10-K14 VanDerWaalsContact OG-NZ 3.07Å
11	T	53.4	Low	46.3	Very low	94 Å²	94	106.5 Å²	106.5	58%	0.577	57%	0.574	S	S	*	*	H	α-helix	trans	-70.7	-40.4	175.5	-60.2	0	0	0	0	111.6	A7 F8 S9 K14 A15	A7-T11 PolarHBondContact O-N 3.04Å; A7-T11 PolarHBondContact O-OG1 3.03Å; F8-T11 PolarHBondContact O-N 3.15Å; S9-T11 VanDerWaalsContact C-N 3.31Å; S9-T11 PolarHBondContact O-N 3.21Å; T11-K14 PolarHBondContact O-N 3.38Å; T11-A15 PolarHBondContact O-N 3.33Å
12	M	50.9	Low	46.4	Very low	107 Å²	107	101.1 Å²	101.1	53%	0.527	56%	0.561	S	S	.	*	H	α-helix	trans	-64.4	-43.9	175.2	-72.9	-73.9	-74.3	0	0	112.1	F8 S9 K14 A15 V16	F8-M12 HydrophobicContact CD1-CG 4.11Å; F8-M12 HydrophobicContact CE1-CG 3.99Å; F8-M12 HydrophobicContact CE1-SD 4.41Å; F8-M12 WeakPolarHBondContact O-CG 3.33Å; F8-M12 PolarHBondContact O-N 3.23Å; S9-M12 PolarHBondContact O-N 3.46Å; M12-K14 VanDerWaalsContact C-N 3.34Å; M12-K14 PolarHBondContact O-N 2.98Å; M12-A15 PolarHBondContact O-N 2.71Å; M12-V16 WeakPolarHBondContact O-CG2 3.23Å; M12-V16 PolarHBondContact O-N 3.45Å
13	E	50.9	Low	46.2	Very low	129 Å²	129	99.9 Å²	99.9	60%	0.603	57%	0.566	S	S	*	*	H	α-helix	trans	-60.4	-41.7	175.5	-76.9	-177.6	141.9	0	0	112.5	S9 V16 T17	S9-E13 PolarHBondContact O-N 2.95Å; E13-V16 PolarHBondContact O-N 3.31Å; E13-T17 WeakPolarHBondContact O-CB 3.42Å; E13-T17 PolarHBondContact O-N 2.94Å; E13-T17 PolarHBondContact O-OG1 3.18Å
14	K	49.9	Very low	45.5	Very low	131 Å²	131	99.4 Å²	99.4	57%	0.57	57%	0.571	S	S	*	*	H	α-helix	trans	-64.4	-38.9	175.9	-74.2	165.1	-176.9	152.6	0	112.3	S10 T11 M12 T17 L18	S10-K14 WeakPolarHBondContact O-CD 3.38Å; S10-K14 VanDerWaalsContact O-CG 3.29Å; S10-K14 WeakPolarHBondContact O-CG 3.43Å; S10-K14 PolarHBondContact O-N 3.29Å; S10-K14 PolarHBondContact OG-NZ 3.26Å; S10-K14 VanDerWaalsContact OG-NZ 3.07Å; T11-K14 PolarHBondContact O-N 3.38Å; M12-K14 VanDerWaalsContact C-N 3.34Å; M12-K14 PolarHBondContact O-N 2.98Å; K14-T17 PolarHBondContact O-N 3.11Å; K14-L18 PolarHBondContact O-N 2.89Å
15	A	41.9	Very low	45	Very low	54 Å²	54	103.1 Å²	103.1	45%	0.446	58%	0.581	S	S	.	*	H	α-helix	trans	-64.9	-43.7	174.8	0	0	0	0	0	112	T11 M12 T17 L18 Q19	T11-A15 PolarHBondContact O-N 3.33Å; M12-A15 PolarHBondContact O-N 2.71Å; A15-T17 VanDerWaalsContact C-N 3.35Å; A15-T17 PolarHBondContact O-N 2.88Å; A15-L18 PolarHBondContact O-N 3.06Å; A15-Q19 PolarHBondContact O-N 2.92Å
16	V	41.9	Very low	44.2	Very low	73 Å²	73	105.2 Å²	105.2	44%	0.442	59%	0.594	S	S	.	*	H	α-helix	trans	-66.2	-36.4	176.4	173.2	0	0	0	0	111.8	M12 E13 Q19 N20	M12-V16 WeakPolarHBondContact O-CG2 3.23Å; M12-V16 PolarHBondContact O-N 3.45Å; E13-V16 PolarHBondContact O-N 3.31Å; V16-Q19 PolarHBondContact O-N 2.65Å; V16-N20 WeakPolarHBondContact O-CB 3.45Å; V16-N20 PolarHBondContact O-N 3.18Å; V16-N20 PolarHBondContact O-ND2 3.26Å
17	T	46	Very low	43.4	Very low	78 Å²	78	103.9 Å²	103.9	48%	0.479	59%	0.594	S	S	.	*	H	α-helix	trans	-67.3	-41.5	176.2	-53.4	0	0	0	0	111.3	E13 K14 A15 Q19 N20 M21	E13-T17 WeakPolarHBondContact O-CB 3.42Å; E13-T17 PolarHBondContact O-N 2.94Å; E13-T17 PolarHBondContact O-OG1 3.18Å; K14-T17 PolarHBondContact O-N 3.11Å; A15-T17 VanDerWaalsContact C-N 3.35Å; A15-T17 PolarHBondContact O-N 2.88Å; T17-Q19 VanDerWaalsContact C-N 3.33Å; T17-Q19 PolarHBondContact O-N 2.81Å; T17-N20 PolarHBondContact O-N 3.24Å; T17-M21 HydrophobicContact CG2-CE 4.43Å; T17-M21 WeakPolarHBondContact O-CG 3.32Å; T17-M21 PolarHBondContact O-N 2.7Å
18	L	43.8	Very low	42.2	Very low	121 Å²	121	112.7 Å²	112.7	63%	0.634	62%	0.615	S	S	*	*	H	α-helix	trans	-62.2	-38.4	172.8	-82.8	161.1	0	0	0	112.6	K14 A15 M21	K14-L18 PolarHBondContact O-N 2.89Å; A15-L18 PolarHBondContact O-N 3.06Å; L18-M21 HydrophobicContact CD2-CE 3.84Å; L18-M21 HydrophobicContact CG-CE 4.23Å; L18-M21 PolarHBondContact O-N 2.85Å
19	Q	38.5	Very low	41.6	Very low	150 Å²	150	113.1 Å²	113.1	70%	0.701	63%	0.628	S	S	*	*	H	α-helix	trans	-68.6	-35.3	177.1	-166.2	171.5	-2	0	0	112.4	A15 V16 T17	A15-Q19 PolarHBondContact O-N 2.92Å; V16-Q19 PolarHBondContact O-N 2.65Å; T17-Q19 VanDerWaalsContact C-N 3.33Å; T17-Q19 PolarHBondContact O-N 2.81Å
20	N	40.8	Very low	40.7	Very low	122 Å²	122	117 Å²	117	65%	0.652	64%	0.639	S	S	*	*	H	α-helix	trans	-77.6	-23.2	177.6	-71.8	-22.9	0	0	0	113.7	V16 T17 A22	V16-N20 WeakPolarHBondContact O-CB 3.45Å; V16-N20 PolarHBondContact O-N 3.18Å; V16-N20 PolarHBondContact O-ND2 3.26Å; T17-N20 PolarHBondContact O-N 3.24Å; N20-A22 PolarHBondContact O-N 3.45Å
21	M	42.1	Very low	39.6	Very low	126 Å²	126	123.1 Å²	123.1	62%	0.621	66%	0.657	S	S	*	*	G	3₁₀ helix	trans	-73.6	-10.6	173.3	-72.8	-172	-62.2	0	0	113.8	T17 L18 G23	T17-M21 HydrophobicContact CG2-CE 4.43Å; T17-M21 WeakPolarHBondContact O-CG 3.32Å; T17-M21 PolarHBondContact O-N 2.7Å; L18-M21 HydrophobicContact CD2-CE 3.84Å; L18-M21 HydrophobicContact CG-CE 4.23Å; L18-M21 PolarHBondContact O-N 2.85Å; M21-G23 PolarHBondContact O-N 2.7Å
22	A	39.4	Very low	38.5	Very low	87 Å²	87	127.6 Å²	127.6	72%	0.719	67%	0.668	S	S	*	*	G	3₁₀ helix	trans	-79.1	6.3	176.1	0	0	0	0	0	114.2	N20	N20-A22 PolarHBondContact O-N 3.45Å
23	G	35.7	Very low	37.6	Very low	64 Å²	64	128.3 Å²	128.3	66%	0.66	68%	0.679	S	S	*	*	G	3₁₀ helix	trans	-84.1	-1.2	-175	0	0	0	0	0	116.8	M21 E25	M21-G23 PolarHBondContact O-N 2.7Å; G23-E25 PolarHBondContact O-N 2.88Å
24	C	32.5	Very low	36.8	Very low	117 Å²	117	126 Å²	126	79%	0.791	67%	0.67	S	S	*	*			trans	-78.7	118.3	-176.3	-76.9	0	0	0	0	113.4	N26	C24-N26 PolarHBondContact O-N 3.33Å
25	E	30.8	Very low	35.9	Very low	187 Å²	187	130.5 Å²	130.5	87%	0.874	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.4	97.9	174.2	-62.3	174.9	115.2	0	0	111.7	G23	G23-E25 PolarHBondContact O-N 2.88Å
26	N	33.8	Very low	35.5	Very low	161 Å²	161	134 Å²	134	86%	0.861	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-164.7	-9.6	156.3	-100.2	-40.3	0	0	0	115.9	C24 R28	C24-N26 PolarHBondContact O-N 3.33Å; N26-R28 PolarHBondContact O-N 2.9Å
27	V	33.2	Very low	35.2	Very low	93 Å²	93	133.7 Å²	133.7	56%	0.564	71%	0.706	S	S	*	*			trans	-103.4	61.2	-175.2	-165.6	0	0	0	0	112.2	Y31	V27-Y31 HydrophobicContact CG1-CD2 4.43Å
28	R	27.9	Very low	34.4	Very low	241 Å²	241	136 Å²	136	91%	0.909	72%	0.715	S	S	*	*			trans	-102	8.9	-174.6	-137.3	176.3	-169.8	174.5	4.5	116.1	N26	N26-R28 PolarHBondContact O-N 2.9Å
29	V	34.7	Very low	34	Very low	135 Å²	135	134.3 Å²	134.3	82%	0.818	71%	0.712	S	S	*	*	S	Bend	trans	-116.5	-35.2	-178.8	-176.3	0	0	0	0	113.5
30	E	32.9	Very low	33.7	Very low	145 Å²	145	135.8 Å²	135.8	68%	0.678	72%	0.717	S	S	*	*	G	3₁₀ helix	trans	-85.6	-19.1	-177.1	-67.3	-171.8	128.1	0	0	115	K32 T33	E30-K32 PolarHBondContact O-N 3.02Å; E30-T33 PolarHBondContact O-N 3.43Å
31	Y	30.7	Very low	33.6	Very low	170 Å²	170	135.2 Å²	135.2	67%	0.667	71%	0.713	S	S	*	*	G	3₁₀ helix	trans	-68.2	-8.4	-174.4	-120.7	-89.7	0	0	0	115.2	V27	V27-Y31 HydrophobicContact CG1-CD2 4.43Å
32	K	29.3	Very low	33.4	Very low	189 Å²	189	132.7 Å²	132.7	82%	0.822	71%	0.713	S	S	*	*	G	3₁₀ helix	trans	-86.1	-17.9	-175.8	-137.5	174	-174.5	179.6	0	114	E30	E30-K32 PolarHBondContact O-N 3.02Å
33	T	33.2	Very low	33.2	Very low	121 Å²	121	135.1 Å²	135.1	74%	0.742	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.6	-27.4	178.3	-48.8	0	0	0	0	112.1	E30 R35	E30-T33 PolarHBondContact O-N 3.43Å; T33-R35 VanDerWaalsContact C-N 3.29Å; T33-R35 PolarHBondContact O-N 2.83Å
34	I	34.2	Very low	33.4	Very low	81 Å²	81	134.7 Å²	134.7	42%	0.415	70%	0.7	S	S	.	*	G	3₁₀ helix	trans	-68	-23.9	-178.4	-72.5	170.1	0	0	0	113	N36 L38	I34-N36 PolarHBondContact O-N 3.45Å; I34-N36 VanDerWaalsContact O-N 3.15Å; I34-L38 HydrophobicContact CG2-CD1 3.85Å
35	R	29.8	Very low	33.8	Very low	226 Å²	226	131.8 Å²	131.8	85%	0.853	68%	0.684	S	S	*	*	G	3₁₀ helix	trans	-70.5	-7.6	-175.6	-162.4	169.1	179.4	170.2	0	115.3	T33	T33-R35 VanDerWaalsContact C-N 3.29Å; T33-R35 PolarHBondContact O-N 2.83Å
36	N	34.5	Very low	34.4	Very low	126 Å²	126	130.2 Å²	130.2	67%	0.674	68%	0.675	S	S	*	*	G	3₁₀ helix	trans	-118.7	17	-173.3	-74.7	-17.6	0	0	0	115	I34 R341	I34-N36 PolarHBondContact O-N 3.45Å; I34-N36 VanDerWaalsContact O-N 3.15Å; N36-R341 PolarHBondContact O-NH1 3.43Å; N36-R341 VanDerWaalsContact O-NH1 3.17Å
37	G	35.8	Very low	35	Very low	68 Å²	68	124.8 Å²	124.8	70%	0.701	65%	0.652	S	S	*	*	S	Bend	trans	-164.4	18.7	-174	0	0	0	0	0	118.9
38	L	29.1	Very low	35.8	Very low	127 Å²	127	124.5 Å²	124.5	67%	0.665	65%	0.651	S	S	*	*			trans	-125.9	111.1	-178.2	-101.3	151.4	0	0	0	113.9	I34	I34-L38 HydrophobicContact CG2-CD1 3.85Å
39	C	34.3	Very low	36.7	Very low	85 Å²	85	118.7 Å²	118.7	57%	0.574	64%	0.635	S	S	*	*			trans	31.8	117.9	152.9	-60.7	0	0	0	0	120.5
40	F	32.9	Very low	37.4	Very low	181 Å²	181	116.4 Å²	116.4	79%	0.794	62%	0.618	S	S	*	*	S	Bend	trans	-85.8	-12.1	156.1	-126	-97.9	0	0	0	112.3	S44	F40-S44 VanDerWaalsContact O-CB 3.22Å; F40-S44 WeakPolarHBondContact O-CB 3.2Å; F40-S44 PolarHBondContact O-N 3.06Å
41	D	39.8	Very low	38.5	Very low	109 Å²	109	114.8 Å²	114.8	58%	0.583	61%	0.613	S	S	*	*	H	α-helix	trans	-79.3	-31	-162	-51.2	-70.3	0	0	0	114.9	A45	D41-A45 WeakPolarHBondContact O-CB 3.07Å; D41-A45 PolarHBondContact O-N 3Å
42	A	37.5	Very low	39.3	Very low	73 Å²	73	108.9 Å²	108.9	60%	0.603	60%	0.599	S	S	*	*	H	α-helix	trans	-72.5	-36.3	177.3	0	0	0	0	0	112.6	F46	A42-F46 PolarHBondContact O-N 3.45Å
43	L	33.8	Very low	40.2	Very low	138 Å²	138	105.3 Å²	105.3	72%	0.723	59%	0.588	S	S	*	*	H	α-helix	trans	-77.3	-34.8	173.8	-85.9	154.6	0	0	0	111.5	A47	L43-A47 VanDerWaalsContact O-CB 3.26Å; L43-A47 WeakPolarHBondContact O-CB 3.46Å; L43-A47 PolarHBondContact O-N 2.88Å
44	S	41.8	Very low	41.2	Very low	55 Å²	55	104.7 Å²	104.7	39%	0.385	58%	0.58	S	S	.	*	H	α-helix	trans	-58.1	-52.3	169.4	177.8	0	0	0	0	111.5	F40 F46 A47 V48	F40-S44 VanDerWaalsContact O-CB 3.22Å; F40-S44 WeakPolarHBondContact O-CB 3.2Å; F40-S44 PolarHBondContact O-N 3.06Å; S44-F46 VanDerWaalsContact C-N 3.34Å; S44-F46 PolarHBondContact O-N 2.94Å; S44-A47 PolarHBondContact O-N 3.36Å; S44-V48 WeakPolarHBondContact O-CB 3.34Å; S44-V48 VanDerWaalsContact O-CG2 3.29Å; S44-V48 WeakPolarHBondContact O-CG2 3.43Å; S44-V48 PolarHBondContact O-N 2.6Å
45	A	40.3	Very low	41.9	Very low	56 Å²	56	102.9 Å²	102.9	46%	0.463	58%	0.577	S	S	.	*	H	α-helix	trans	-60.1	-40.8	-179.7	0	0	0	0	0	112.8	D41 M49	D41-A45 WeakPolarHBondContact O-CB 3.07Å; D41-A45 PolarHBondContact O-N 3Å; A45-M49 VanDerWaalsContact O-CB 3.25Å; A45-M49 WeakPolarHBondContact O-CB 3.33Å; A45-M49 PolarHBondContact O-N 3.1Å
46	F	42.5	Very low	42.8	Very low	155 Å²	155	98 Å²	98	68%	0.68	56%	0.562	S	S	*	*	H	α-helix	trans	-67.5	-43	174.6	-110.7	-90.2	0	0	0	112.5	A42 S44 M49 L50	A42-F46 PolarHBondContact O-N 3.45Å; S44-F46 VanDerWaalsContact C-N 3.34Å; S44-F46 PolarHBondContact O-N 2.94Å; F46-M49 PolarHBondContact O-N 2.87Å; F46-L50 WeakPolarHBondContact O-CB 3.38Å; F46-L50 PolarHBondContact O-N 3.49Å
47	A	47.5	Very low	43.4	Very low	47 Å²	47	94.1 Å²	94.1	39%	0.388	55%	0.552	S	S	.	*	H	α-helix	trans	-65.8	-42.7	177.4	0	0	0	0	0	112	L43 S44 L50 I51	L43-A47 VanDerWaalsContact O-CB 3.26Å; L43-A47 WeakPolarHBondContact O-CB 3.46Å; L43-A47 PolarHBondContact O-N 2.88Å; S44-A47 PolarHBondContact O-N 3.36Å; A47-L50 PolarHBondContact O-N 3.31Å; A47-I51 VanDerWaalsContact O-CB 3.3Å; A47-I51 WeakPolarHBondContact O-CB 3.25Å; A47-I51 WeakPolarHBondContact O-CD1 3.06Å; A47-I51 WeakPolarHBondContact O-CG1 3.24Å; A47-I51 PolarHBondContact O-N 2.91Å
48	V	50.1	Low	44.1	Very low	87 Å²	87	94.7 Å²	94.7	53%	0.527	54%	0.542	S	S	.	.	H	α-helix	trans	-65.2	-39.8	175.5	171.4	0	0	0	0	110.9	S44 I51 A52	S44-V48 WeakPolarHBondContact O-CB 3.34Å; S44-V48 VanDerWaalsContact O-CG2 3.29Å; S44-V48 WeakPolarHBondContact O-CG2 3.43Å; S44-V48 PolarHBondContact O-N 2.6Å; V48-I51 PolarHBondContact O-N 3.43Å; V48-A52 WeakPolarHBondContact O-CB 3.25Å; V48-A52 PolarHBondContact O-N 2.85Å
49	M	46.7	Very low	45.1	Very low	119 Å²	119	92.8 Å²	92.8	59%	0.586	54%	0.536	S	S	*	.	H	α-helix	trans	-67.4	-38.9	174.9	-163.2	-178.2	-62	0	0	111.7	A45 F46 A52 L53	A45-M49 VanDerWaalsContact O-CB 3.25Å; A45-M49 WeakPolarHBondContact O-CB 3.33Å; A45-M49 PolarHBondContact O-N 3.1Å; F46-M49 PolarHBondContact O-N 2.87Å; M49-A52 PolarHBondContact O-N 3.26Å; M49-L53 HydrophobicContact CG-CD1 4.36Å; M49-L53 WeakPolarHBondContact O-CB 3.16Å; M49-L53 WeakPolarHBondContact O-CD1 3.29Å; M49-L53 VanDerWaalsContact O-CG 3.24Å; M49-L53 WeakPolarHBondContact O-CG 3.42Å; M49-L53 PolarHBondContact O-N 2.82Å
50	L	48.1	Very low	45.6	Very low	86 Å²	86	95 Å²	95	45%	0.45	54%	0.537	S	S	.	.	H	α-helix	trans	-67.1	-43.5	175.2	-153.9	80.4	0	0	0	111.7	F46 A47 L53 L54	F46-L50 WeakPolarHBondContact O-CB 3.38Å; F46-L50 PolarHBondContact O-N 3.49Å; A47-L50 PolarHBondContact O-N 3.31Å; L50-L53 PolarHBondContact O-N 3.48Å; L50-L54 HydrophobicContact CG-CD1 4.4Å; L50-L54 WeakPolarHBondContact O-CB 3.42Å; L50-L54 VanDerWaalsContact O-CG 3.23Å; L50-L54 WeakPolarHBondContact O-CG 3.14Å; L50-L54 PolarHBondContact O-N 2.98Å
51	I	56.6	Low	46.1	Very low	112 Å²	112	93.2 Å²	93.2	57%	0.574	53%	0.529	S	S	*	.	H	α-helix	trans	-64.7	-40.4	174.9	-70.3	163.9	0	0	0	110.5	A47 V48 L54 A55	A47-I51 VanDerWaalsContact O-CB 3.3Å; A47-I51 WeakPolarHBondContact O-CB 3.25Å; A47-I51 WeakPolarHBondContact O-CD1 3.06Å; A47-I51 WeakPolarHBondContact O-CG1 3.24Å; A47-I51 PolarHBondContact O-N 2.91Å; V48-I51 PolarHBondContact O-N 3.43Å; I51-L54 PolarHBondContact O-N 3.19Å; I51-A55 WeakPolarHBondContact O-CB 3.34Å; I51-A55 PolarHBondContact O-N 3.24Å
52	A	47.3	Very low	46.4	Very low	45 Å²	45	91.6 Å²	91.6	37%	0.372	52%	0.523	S	S	.	.	H	α-helix	trans	-66.9	-37.1	176.1	0	0	0	0	0	112.4	V48 M49 F56	V48-A52 WeakPolarHBondContact O-CB 3.25Å; V48-A52 PolarHBondContact O-N 2.85Å; M49-A52 PolarHBondContact O-N 3.26Å; A52-F56 WeakPolarHBondContact O-CB 3.35Å; A52-F56 PolarHBondContact O-N 2.82Å
53	L	49	Very low	46.8	Very low	115 Å²	115	92.1 Å²	92.1	60%	0.602	52%	0.519	S	S	*	.	H	α-helix	trans	-69.2	-41.7	173.8	-74.3	166.2	0	0	0	112	M49 L50 G57	M49-L53 HydrophobicContact CG-CD1 4.36Å; M49-L53 WeakPolarHBondContact O-CB 3.16Å; M49-L53 WeakPolarHBondContact O-CD1 3.29Å; M49-L53 VanDerWaalsContact O-CG 3.24Å; M49-L53 WeakPolarHBondContact O-CG 3.42Å; M49-L53 PolarHBondContact O-N 2.82Å; L50-L53 PolarHBondContact O-N 3.48Å; L53-G57 PolarHBondContact O-N 2.98Å
54	L	52.8	Low	47.2	Very low	108 Å²	108	91.8 Å²	91.8	57%	0.565	52%	0.515	S	S	*	.	H	α-helix	trans	-66.1	-38	173.5	-71.7	167	0	0	0	111.6	L50 I51 T58	L50-L54 HydrophobicContact CG-CD1 4.4Å; L50-L54 WeakPolarHBondContact O-CB 3.42Å; L50-L54 VanDerWaalsContact O-CG 3.23Å; L50-L54 WeakPolarHBondContact O-CG 3.14Å; L50-L54 PolarHBondContact O-N 2.98Å; I51-L54 PolarHBondContact O-N 3.19Å; L54-T58 WeakPolarHBondContact O-CB 3.2Å; L54-T58 WeakPolarHBondContact O-CG2 3.26Å; L54-T58 PolarHBondContact O-N 3.41Å; L54-T58 PolarHBondContact O-OG1 2.8Å
55	A	49.7	Very low	47.2	Very low	43 Å²	43	93 Å²	93	36%	0.355	52%	0.517	S	S	.	.	H	α-helix	trans	-68.7	-45	175.1	0	0	0	0	0	111.8	I51 G57 T58 V59	I51-A55 WeakPolarHBondContact O-CB 3.34Å; I51-A55 PolarHBondContact O-N 3.24Å; A55-G57 VanDerWaalsContact C-N 3.34Å; A55-G57 PolarHBondContact O-N 2.84Å; A55-T58 WeakPolarHBondContact CA-OG1 3.31Å; A55-T58 PolarHBondContact O-N 2.87Å; A55-T58 PolarHBondContact O-OG1 3.35Å; A55-V59 VanDerWaalsContact O-CB 3.29Å; A55-V59 WeakPolarHBondContact O-CB 3.39Å; A55-V59 WeakPolarHBondContact O-CG2 3.47Å; A55-V59 PolarHBondContact O-N 3.28Å
56	F	47.9	Very low	47.4	Very low	123 Å²	123	96.4 Å²	96.4	54%	0.539	53%	0.526	S	S	.	.	H	α-helix	trans	-62.8	-41	174.7	-107.3	-89.6	0	0	0	111.9	A52 H60	A52-F56 WeakPolarHBondContact O-CB 3.35Å; A52-F56 PolarHBondContact O-N 2.82Å; F56-H60 PolarHBondContact O-N 2.96Å; F56-H60 VanDerWaalsContact O-N 3.09Å
57	G	48.7	Very low	47.3	Very low	45 Å²	45	93.2 Å²	93.2	46%	0.464	53%	0.528	S	S	.	.	H	α-helix	trans	-64.6	-46.2	175.8	0	0	0	0	0	112.8	L53 A55 F61	L53-G57 PolarHBondContact O-N 2.98Å; A55-G57 VanDerWaalsContact C-N 3.34Å; A55-G57 PolarHBondContact O-N 2.84Å; G57-F61 VanDerWaalsContact O-CB 3.31Å; G57-F61 WeakPolarHBondContact O-CB 3.43Å; G57-F61 PolarHBondContact O-N 2.77Å
58	T	50.6	Low	46.9	Very low	80 Å²	80	95.3 Å²	95.3	49%	0.491	54%	0.54	S	S	.	.	H	α-helix	trans	-71.9	-37.1	179	49.2	0	0	0	0	112.9	L54 A55 F61 V62	L54-T58 WeakPolarHBondContact O-CB 3.2Å; L54-T58 WeakPolarHBondContact O-CG2 3.26Å; L54-T58 PolarHBondContact O-N 3.41Å; L54-T58 PolarHBondContact O-OG1 2.8Å; A55-T58 WeakPolarHBondContact CA-OG1 3.31Å; A55-T58 PolarHBondContact O-N 2.87Å; A55-T58 PolarHBondContact O-OG1 3.35Å; T58-F61 PolarHBondContact O-N 3.1Å; T58-V62 VanDerWaalsContact O-CB 3.29Å; T58-V62 WeakPolarHBondContact O-CB 3.39Å; T58-V62 VanDerWaalsContact O-CG2 3.23Å; T58-V62 WeakPolarHBondContact O-CG2 3.43Å; T58-V62 PolarHBondContact O-N 3.23Å
59	V	49.2	Very low	46.1	Very low	87 Å²	87	94.9 Å²	94.9	53%	0.527	54%	0.541	S	S	.	.	H	α-helix	trans	-64.2	-46.4	174.4	171.3	0	0	0	0	110.5	A55 F61 V62 T63	A55-V59 VanDerWaalsContact O-CB 3.29Å; A55-V59 WeakPolarHBondContact O-CB 3.39Å; A55-V59 WeakPolarHBondContact O-CG2 3.47Å; A55-V59 PolarHBondContact O-N 3.28Å; V59-F61 VanDerWaalsContact C-N 3.29Å; V59-F61 PolarHBondContact O-N 2.81Å; V59-V62 PolarHBondContact O-N 3.5Å; V59-T63 WeakPolarHBondContact O-CB 3.48Å; V59-T63 PolarHBondContact O-N 3.46Å; V59-T63 PolarHBondContact O-OG1 3.46Å
60	H	45.8	Very low	45.4	Very low	132 Å²	132	92.8 Å²	92.8	61%	0.611	55%	0.549	S	S	*	.	H	α-helix	trans	-61.3	-36.8	174.8	-106.9	-89.9	0	0	0	113	F56 M64	F56-H60 PolarHBondContact O-N 2.96Å; F56-H60 VanDerWaalsContact O-N 3.09Å; H60-M64 WeakPolarHBondContact O-CB 3.24Å; H60-M64 PolarHBondContact O-N 2.92Å
61	F	42.6	Very low	44.5	Very low	142 Å²	142	100.9 Å²	100.9	62%	0.623	57%	0.574	S	S	*	*	H	α-helix	trans	-70.7	-43.8	178.4	-163.5	-106.8	0	0	0	112.2	G57 T58 V59 M64 I65	G57-F61 VanDerWaalsContact O-CB 3.31Å; G57-F61 WeakPolarHBondContact O-CB 3.43Å; G57-F61 PolarHBondContact O-N 2.77Å; T58-F61 PolarHBondContact O-N 3.1Å; V59-F61 VanDerWaalsContact C-N 3.29Å; V59-F61 PolarHBondContact O-N 2.81Å; F61-M64 PolarHBondContact O-N 2.93Å; F61-I65 HydrophobicContact CD1-CD1 3.67Å; F61-I65 HydrophobicContact CE1-CD1 3.46Å; F61-I65 VanDerWaalsContact CE1-CD1 3.46Å; F61-I65 HydrophobicContact CG-CD1 4.46Å; F61-I65 HydrophobicContact CZ-CD1 4.09Å; F61-I65 WeakPolarHBondContact O-CG1 3.09Å; F61-I65 PolarHBondContact O-N 3.11Å
62	V	46.6	Very low	43.1	Very low	75 Å²	75	106.8 Å²	106.8	46%	0.455	59%	0.589	S	S	.	*	H	α-helix	trans	-68.4	-40.8	176.9	170.2	0	0	0	0	111	T58 V59 M64 I65 I66	T58-V62 VanDerWaalsContact O-CB 3.29Å; T58-V62 WeakPolarHBondContact O-CB 3.39Å; T58-V62 VanDerWaalsContact O-CG2 3.23Å; T58-V62 WeakPolarHBondContact O-CG2 3.43Å; T58-V62 PolarHBondContact O-N 3.23Å; V59-V62 PolarHBondContact O-N 3.5Å; V62-M64 VanDerWaalsContact C-N 3.35Å; V62-M64 PolarHBondContact O-N 3.21Å; V62-I65 PolarHBondContact O-N 2.94Å; V62-I66 HydrophobicContact CG1-CD1 3.58Å; V62-I66 HydrophobicContact CG1-CG1 4.29Å; V62-I66 WeakPolarHBondContact O-CB 3.35Å; V62-I66 VanDerWaalsContact O-CG1 3.26Å; V62-I66 WeakPolarHBondContact O-CG1 3.44Å; V62-I66 PolarHBondContact O-N 2.95Å
63	T	46.2	Very low	42.2	Very low	85 Å²	85	109.5 Å²	109.5	52%	0.521	61%	0.612	S	S	.	*	H	α-helix	trans	-66	-35.9	173.8	-51.8	0	0	0	0	111.6	V59 A67	V59-T63 WeakPolarHBondContact O-CB 3.48Å; V59-T63 PolarHBondContact O-N 3.46Å; V59-T63 PolarHBondContact O-OG1 3.46Å; T63-A67 WeakPolarHBondContact O-CB 3.4Å; T63-A67 PolarHBondContact O-N 2.89Å
64	M	40.7	Very low	41.3	Very low	131 Å²	131	113.4 Å²	113.4	65%	0.645	62%	0.624	S	S	*	*	H	α-helix	trans	-65.4	-40.9	171.2	-91.4	-158.6	71.2	0	0	113.1	H60 F61 V62 A67 S68	H60-M64 WeakPolarHBondContact O-CB 3.24Å; H60-M64 PolarHBondContact O-N 2.92Å; F61-M64 PolarHBondContact O-N 2.93Å; V62-M64 VanDerWaalsContact C-N 3.35Å; V62-M64 PolarHBondContact O-N 3.21Å; M64-A67 PolarHBondContact O-N 2.92Å; M64-S68 WeakPolarHBondContact O-CB 3.37Å; M64-S68 PolarHBondContact O-N 3.15Å; M64-S68 VanDerWaalsContact O-N 3.15Å; M64-S68 PolarHBondContact O-OG 2.92Å
65	I	42.8	Very low	40.1	Very low	81 Å²	81	115.9 Å²	115.9	42%	0.415	63%	0.633	S	S	.	*	H	α-helix	trans	-69.1	-43.1	179.2	-73.1	172.1	0	0	0	110.9	F61 V62 A67 S68 S69	F61-I65 HydrophobicContact CD1-CD1 3.67Å; F61-I65 HydrophobicContact CE1-CD1 3.46Å; F61-I65 VanDerWaalsContact CE1-CD1 3.46Å; F61-I65 HydrophobicContact CG-CD1 4.46Å; F61-I65 HydrophobicContact CZ-CD1 4.09Å; F61-I65 WeakPolarHBondContact O-CG1 3.09Å; F61-I65 PolarHBondContact O-N 3.11Å; V62-I65 PolarHBondContact O-N 2.94Å; I65-A67 VanDerWaalsContact C-N 3.29Å; I65-A67 PolarHBondContact O-N 3.25Å; I65-S68 PolarHBondContact O-N 2.83Å; I65-S68 PolarHBondContact O-OG 3.16Å; I65-S69 PolarHBondContact O-N 3.44Å; I65-S69 PolarHBondContact O-OG 3.49Å; I65-S69 VanDerWaalsContact O-OG 3.13Å
66	I	43.2	Very low	38.9	Very low	127 Å²	127	123.4 Å²	123.4	65%	0.651	65%	0.652	S	S	*	*	H	α-helix	trans	-65.3	-33.7	176.6	-67.7	170.7	0	0	0	111.3	V62	V62-I66 HydrophobicContact CG1-CD1 3.58Å; V62-I66 HydrophobicContact CG1-CG1 4.29Å; V62-I66 WeakPolarHBondContact O-CB 3.35Å; V62-I66 VanDerWaalsContact O-CG1 3.26Å; V62-I66 WeakPolarHBondContact O-CG1 3.44Å; V62-I66 PolarHBondContact O-N 2.95Å
67	A	41.5	Very low	37.9	Very low	88 Å²	88	128.4 Å²	128.4	73%	0.727	67%	0.667	S	S	*	*	H	α-helix	trans	-80.1	-11.8	177	0	0	0	0	0	114.9	T63 M64 I65	T63-A67 WeakPolarHBondContact O-CB 3.4Å; T63-A67 PolarHBondContact O-N 2.89Å; M64-A67 PolarHBondContact O-N 2.92Å; I65-A67 VanDerWaalsContact C-N 3.29Å; I65-A67 PolarHBondContact O-N 3.25Å
68	S	38	Very low	36.8	Very low	91 Å²	91	131.2 Å²	131.2	64%	0.636	68%	0.68	S	S	*	*	H	α-helix	trans	-116.1	-10.3	-173.6	55.3	0	0	0	0	115.8	M64 I65	M64-S68 WeakPolarHBondContact O-CB 3.37Å; M64-S68 PolarHBondContact O-N 3.15Å; M64-S68 VanDerWaalsContact O-N 3.15Å; M64-S68 PolarHBondContact O-OG 2.92Å; I65-S68 PolarHBondContact O-N 2.83Å; I65-S68 PolarHBondContact O-OG 3.16Å
69	S	34.2	Very low	35.6	Very low	78 Å²	78	135.4 Å²	135.4	55%	0.545	69%	0.694	S	S	.	*			trans	-139.5	100.4	176.5	52.4	0	0	0	0	112.5	I65	I65-S69 PolarHBondContact O-N 3.44Å; I65-S69 PolarHBondContact O-OG 3.49Å; I65-S69 VanDerWaalsContact O-OG 3.13Å
70	G	31.2	Very low	34.5	Very low	74 Å²	74	136.7 Å²	136.7	76%	0.763	70%	0.701	S	S	*	*			trans	-79.9	117.4	170.4	0	0	0	0	0	111.5
71	W	30.1	Very low	33.6	Very low	257 Å²	257	141.5 Å²	141.5	97%	0.973	72%	0.716	S	S	*	*			trans	-149.9	147.1	158.7	-136.6	-72	0	0	0	112.9
72	R	26.9	Very low	32.9	Very low	235 Å²	235	139.9 Å²	139.9	89%	0.887	72%	0.717	S	S	*	*			trans	-80.4	161.1	176.1	-62.2	171.9	177.7	167.4	-1.8	111.6
73	A	28	Very low	32.1	Very low	102 Å²	102	143.1 Å²	143.1	84%	0.843	73%	0.732	S	S	*	*			trans	75	102.6	159.7	0	0	0	0	0	118.7
74	F	30.3	Very low	31.3	Very low	197 Å²	197	144.2 Å²	144.2	86%	0.864	74%	0.741	S	S	*	*			trans	-143.7	117.6	130.7	-159.5	-103.4	0	0	0	110.4
75	Q	27.2	Very low	31	Very low	160 Å²	160	147 Å²	147	75%	0.748	75%	0.752	S	S	*	*			trans	-140.5	136.9	176.7	-155.6	-167.9	35.9	0	0	108.6
76	R	25.9	Very low	30.3	Very low	201 Å²	201	146.2 Å²	146.2	76%	0.758	76%	0.764	S	S	*	*			trans	91.2	138.6	168.6	-48.8	-179.8	-151.4	-160.5	6.1	118.8
77	R	25.3	Very low	29.7	Very low	229 Å²	229	148.3 Å²	148.3	86%	0.864	78%	0.777	S	S	*	*			trans	72.7	140.2	169	-56.3	178	174	170.4	-3.2	113.7
78	S	26.6	Very low	29.2	Very low	104 Å²	104	151.8 Å²	151.8	73%	0.727	78%	0.783	S	S	*	*			cis	-151.4	146.8	29.4	-60.3	0	0	0	0	114.9
79	H	26.4	Very low	28.9	Very low	168 Å²	168	152.1 Å²	152.1	78%	0.778	78%	0.783	S	S	*	*			trans	43.3	114.8	140	-70.9	-94.6	0	0	0	122.9
80	V	25.6	Very low	28.6	Very low	114 Å²	114	156.2 Å²	156.2	69%	0.691	80%	0.798	S	S	*	*				25.8	121.2	118	-173.3	0	0	0	0	117.7	V82	V80-V82 HydrophobicContact CG1-CG2 4.14Å
81	Y	27	Very low	28.6	Very low	233 Å²	233	159.3 Å²	159.3	91%	0.914	80%	0.796	S	S	*	*			trans	-129.7	130.5	142.8	-125.6	-94.8	0	0	0	109.2
82	V	26.9	Very low	28.9	Very low	107 Å²	107	149.8 Å²	149.8	65%	0.648	77%	0.769	S	S	*	*			trans	-107.5	129.7	169.8	174.5	0	0	0	0	105.8	V80	V80-V82 HydrophobicContact CG1-CG2 4.14Å
83	D	31.1	Very low	29.4	Very low	143 Å²	143	149.6 Å²	149.6	77%	0.765	77%	0.768	S	S	*	*			trans	-100	117.8	170.6	-167.4	-5.9	0	0	0	109.2
84	P	29.4	Very low	29.8	Very low	109 Å²	109	150.6 Å²	150.6	71%	0.708	76%	0.759	S	S	*	*			trans	-110.5	59.5	-175.3	41.5	-32.1	0	0	0	112.9
85	E	33.1	Very low	30.2	Very low	188 Å²	188	145 Å²	145	88%	0.879	74%	0.736	S	S	*	*			trans	-150.3	126.8	159.2	-118.4	166	-132.5	0	0	112.4
86	G	29.5	Very low	30.6	Very low	65 Å²	65	140.1 Å²	140.1	67%	0.67	72%	0.723	S	S	*	*			trans	-93.4	138.8	-171	0	0	0	0	0	113.3
87	N	28.8	Very low	31.2	Very low	172 Å²	172	132.9 Å²	132.9	92%	0.92	71%	0.706	S	S	*	*			trans	-177.1	107.5	136.6	-92	-41.1	0	0	0	109.6
88	D	32.7	Very low	31.9	Very low	161 Å²	161	123.6 Å²	123.6	86%	0.861	68%	0.678	S	S	*	*			trans	-124.1	113.9	167.7	-165.5	13.8	0	0	0	109.5
89	P	30.3	Very low	32.5	Very low	97 Å²	97	119.6 Å²	119.6	63%	0.63	65%	0.648	S	S	*	*			trans	-89.4	150.5	-179.3	36.1	-34.2	0	0	0	111.8
90	L	27.7	Very low	33.3	Very low	165 Å²	165	116.8 Å²	116.8	86%	0.864	64%	0.635	S	S	*	*			trans	84.6	64.4	165.2	-47.4	170.1	0	0	0	118.7
91	L	31.8	Very low	34.2	Very low	139 Å²	139	115.9 Å²	115.9	73%	0.728	63%	0.63	S	S	*	*	S	Bend		-153.9	157.6	118.3	-131	80	0	0	0	109.4
92	S	37.2	Very low	35	Very low	57 Å²	57	107 Å²	107	40%	0.399	60%	0.598	S	S	.	*			trans	-74.5	138.9	-171.6	76.8	0	0	0	0	111.7	N94 E95	S92-N94 PolarHBondContact O-N 2.75Å; S92-E95 WeakPolarHBondContact CB-OE2 3.31Å; S92-E95 PolarHBondContact N-OE2 2.66Å; S92-E95 PolarHBondContact O-N 2.65Å; S92-E95 WeakPolarHBondContact OG-CG 3.36Å; S92-E95 PolarHBondContact OG-OE2 2.91Å
93	R	36	Very low	35.7	Very low	231 Å²	231	102.6 Å²	102.6	87%	0.872	57%	0.57	S	S	*	*	H	α-helix	trans	-56.5	-20.1	178.5	-151.5	172.1	-173.9	167.6	1.1	112.9	A97	R93-A97 PolarHBondContact O-N 3.38Å
94	N	36.2	Very low	35.8	Very low	122 Å²	122	101.5 Å²	101.5	65%	0.652	56%	0.557	S	S	*	*	H	α-helix	trans	-75.7	-31.5	178.8	-60.1	-9.7	0	0	0	113	S92 A97 A98	S92-N94 PolarHBondContact O-N 2.75Å; N94-A97 PolarHBondContact O-N 2.87Å; N94-A98 PolarHBondContact O-N 2.82Å; N94-A98 VanDerWaalsContact O-N 3.09Å
95	E	38.7	Very low	36	Very low	81 Å²	81	98.8 Å²	98.8	38%	0.379	55%	0.548	S	S	.	.	H	α-helix	trans	-74.6	-34.6	-179.1	-71.6	160.2	117.5	0	0	112.1	S92	S92-E95 WeakPolarHBondContact CB-OE2 3.31Å; S92-E95 PolarHBondContact N-OE2 2.66Å; S92-E95 PolarHBondContact O-N 2.65Å; S92-E95 WeakPolarHBondContact OG-CG 3.36Å; S92-E95 PolarHBondContact OG-OE2 2.91Å
96	A	37	Very low	36	Very low	57 Å²	57	93.5 Å²	93.5	47%	0.471	53%	0.532	S	S	.	.	H	α-helix	trans	-69.6	-33.9	172.1	0	0	0	0	0	112.2
97	A	38.3	Very low	36.3	Very low	49 Å²	49	96.9 Å²	96.9	41%	0.405	53%	0.53	S	S	.	.	H	α-helix	trans	-68.3	-45.2	176.6	0	0	0	0	0	112.1	R93 N94 L99 H100 T101	R93-A97 PolarHBondContact O-N 3.38Å; N94-A97 PolarHBondContact O-N 2.87Å; A97-L99 PolarHBondContact O-N 3.2Å; A97-H100 CarbonylContact O-C 3.6Å; A97-H100 WeakPolarHBondContact O-CA 3.44Å; A97-H100 WeakPolarHBondContact O-CB 3.39Å; A97-H100 PolarHBondContact O-N 3.17Å; A97-T101 PolarHBondContact O-N 2.93Å; A97-T101 PolarHBondContact O-OG1 3.5Å; A97-T101 VanDerWaalsContact O-OG1 3.07Å
98	A	40.4	Very low	36.3	Very low	34 Å²	34	95.2 Å²	95.2	28%	0.281	53%	0.526	S	S	.	.	H	α-helix	trans	-55.6	-45.3	-178.3	0	0	0	0	0	113.3	N94 H100 T101 D102	N94-A98 PolarHBondContact O-N 2.82Å; N94-A98 VanDerWaalsContact O-N 3.09Å; A98-H100 PolarHBondContact O-N 3.35Å; A98-T101 PolarHBondContact O-N 3.5Å; A98-D102 VanDerWaalsContact O-CB 3.3Å; A98-D102 WeakPolarHBondContact O-CB 3.4Å; A98-D102 VanDerWaalsContact O-CG 3.3Å; A98-D102 PolarHBondContact O-N 3.18Å
99	L	39.1	Very low	36.2	Very low	20 Å²	20	95.9 Å²	95.9	11%	0.105	52%	0.521	C	S	.	.	H	α-helix	trans	-55.1	-33.5	172.6	-88.8	170.5	0	0	0	113.3	A97 V213 M217 L247	A97-L99 PolarHBondContact O-N 3.2Å; L99-V213 HydrophobicContact CD1-CB 4.38Å; L99-V213 HydrophobicContact CD1-CG1 3.61Å; L99-V213 HydrophobicContact CD1-CG2 3.82Å; L99-V213 HydrophobicContact CD2-CG1 4.11Å; L99-V213 HydrophobicContact CG-CG1 3.72Å; L99-M217 HydrophobicContact CD2-SD 4.08Å; L99-L247 HydrophobicContact CD2-CD1 4.47Å
100	H	42.1	Very low	36	Very low	109 Å²	109	97.3 Å²	97.3	51%	0.505	52%	0.524	S	S	.	.	H	α-helix	trans	-90.6	-26.1	-173.8	-144	-62.7	0	0	0	113.3	A97 A98 Y104	A97-H100 CarbonylContact O-C 3.6Å; A97-H100 WeakPolarHBondContact O-CA 3.44Å; A97-H100 WeakPolarHBondContact O-CB 3.39Å; A97-H100 PolarHBondContact O-N 3.17Å; A98-H100 PolarHBondContact O-N 3.35Å; H100-Y104 WeakPolarHBondContact O-CD2 3.46Å; H100-Y104 WeakPolarHBondContact O-CE2 3.48Å
101	T	44.9	Very low	36	Very low	94 Å²	94	95.2 Å²	95.2	58%	0.577	52%	0.52	S	S	*	.	H	α-helix	trans	-91.4	-43.1	175.2	38.8	0	0	0	0	113.2	A97 A98 F103 Y104	A97-T101 PolarHBondContact O-N 2.93Å; A97-T101 PolarHBondContact O-OG1 3.5Å; A97-T101 VanDerWaalsContact O-OG1 3.07Å; A98-T101 PolarHBondContact O-N 3.5Å; T101-F103 VanDerWaalsContact C-N 3.28Å; T101-F103 PolarHBondContact O-N 3.4Å; T101-Y104 PolarHBondContact O-N 2.72Å; T101-Y104 VanDerWaalsContact O-N 3.12Å
102	D	44.3	Very low	35.7	Very low	47 Å²	47	99.2 Å²	99.2	25%	0.251	53%	0.525	S	S	.	.	G	3₁₀ helix	trans	-69.4	-26.3	-169.5	-66.6	-15.9	0	0	0	112.8	A98 Y104 M217 K220	A98-D102 VanDerWaalsContact O-CB 3.3Å; A98-D102 WeakPolarHBondContact O-CB 3.4Å; A98-D102 VanDerWaalsContact O-CG 3.3Å; A98-D102 PolarHBondContact O-N 3.18Å; D102-Y104 VanDerWaalsContact C-N 3.3Å; D102-Y104 PolarHBondContact O-N 3.49Å; D102-M217 HydrophobicContact CB-CE 3.8Å; D102-M217 WeakPolarHBondContact OD2-CE 3.21Å; D102-K220 PolarHBondContact O-NZ 2.91Å
103	F	40.6	Very low	35.5	Very low	14 Å²	14	102.5 Å²	102.5	6%	0.061	55%	0.548	C	S	.	.	G	3₁₀ helix	trans	-77.6	-7	176.8	-107.9	-91.4	0	0	0	114.6	T101 G105 K220 F241 Q242 L247 F249	T101-F103 VanDerWaalsContact C-N 3.28Å; T101-F103 PolarHBondContact O-N 3.4Å; F103-G105 VanDerWaalsContact C-N 3.33Å; F103-K220 HydrophobicContact CE2-CD 4.16Å; F103-F241 VanDerWaalsContact CE1-O 3.32Å; F103-F241 WeakPolarHBondContact CE1-O 3.45Å; F103-Q242 HydrophobicContact CB-CG 4.13Å; F103-Q242 VanDerWaalsContact CB-NE2 3.28Å; F103-Q242 HydrophobicContact CD1-CB 3.97Å; F103-Q242 HydrophobicContact CD1-CG 3.95Å; F103-Q242 HydrophobicContact CE1-CB 4.35Å; F103-Q242 HydrophobicContact CG-CG 4.28Å; F103-L247 HydrophobicContact CD1-CD2 4.34Å; F103-L247 HydrophobicContact CD2-CD2 4.05Å; F103-L247 HydrophobicContact CE1-CD2 4.09Å; F103-L247 HydrophobicContact CE2-CD1 4.03Å; F103-L247 HydrophobicContact CE2-CD2 3.8Å; F103-L247 HydrophobicContact CE2-CG 4.36Å; F103-L247 HydrophobicContact CG-CD2 4.32Å; F103-L247 HydrophobicContact CZ-CB 4.05Å; F103-L247 HydrophobicContact CZ-CD1 4.29Å; F103-L247 HydrophobicContact CZ-CD2 3.83Å; F103-L247 HydrophobicContact CZ-CG 4.28Å; F103-F249 HydrophobicContact CZ-CE2 4.26Å; F103-F249 HydrophobicContact CZ-CZ 4.24Å
104	Y	33.6	Very low	35	Very low	121 Å²	121	102.7 Å²	102.7	48%	0.475	55%	0.549	S	S	.	.	G	3₁₀ helix	trans	-86.9	1.3	-179.2	-84.4	-110.8	0	0	0	114	H100 T101 D102 S106 R165 Q242	H100-Y104 WeakPolarHBondContact O-CD2 3.46Å; H100-Y104 WeakPolarHBondContact O-CE2 3.48Å; T101-Y104 PolarHBondContact O-N 2.72Å; T101-Y104 VanDerWaalsContact O-N 3.12Å; D102-Y104 VanDerWaalsContact C-N 3.3Å; D102-Y104 PolarHBondContact O-N 3.49Å; Y104-S106 PolarHBondContact O-N 2.74Å; Y104-R165 VanDerWaalsContact CD1-NH1 3.28Å; Y104-Q242 VanDerWaalsContact CE2-NE2 3.29Å
105	G	33	Very low	34.6	Very low	52 Å²	52	104.3 Å²	104.3	54%	0.536	56%	0.557	S	S	.	*			trans	-84.6	72.7	173.3	0	0	0	0	0	113.7	F103 H107	F103-G105 VanDerWaalsContact C-N 3.33Å; G105-H107 PolarHBondContact O-N 3.04Å; G105-H107 VanDerWaalsContact O-N 3.11Å
106	S	33.7	Very low	34.2	Very low	76 Å²	76	105 Å²	105	53%	0.531	58%	0.577	S	S	.	*			trans	-76.2	91.4	175.8	58	0	0	0	0	112	Y104	Y104-S106 PolarHBondContact O-N 2.74Å
107	H	35.4	Very low	33.6	Very low	137 Å²	137	107.1 Å²	107.1	63%	0.634	59%	0.594	S	S	*	*			trans	-92.3	95.8	172	-80	-72.4	0	0	0	112	G105 F109	G105-H107 PolarHBondContact O-N 3.04Å; G105-H107 VanDerWaalsContact O-N 3.11Å; H107-F109 HydrophobicContact CB-CD2 3.97Å; H107-F109 HydrophobicContact CB-CE2 4.14Å; H107-F109 PolarHBondContact O-N 3.4Å
108	V	30.1	Very low	33.1	Very low	136 Å²	136	110.5 Å²	110.5	82%	0.824	62%	0.615	S	S	*	*			trans	-71.1	105.9	160.3	178.4	0	0	0	0	107.6	N110	V108-N110 PolarHBondContact O-N 2.97Å
109	F	29.7	Very low	32.5	Very low	175 Å²	175	114.9 Å²	114.9	77%	0.768	64%	0.638	S	S	*	*			trans	-89.7	105.9	-177.5	-111.8	-80.1	0	0	0	112.2	H107	H107-F109 HydrophobicContact CB-CD2 3.97Å; H107-F109 HydrophobicContact CB-CE2 4.14Å; H107-F109 PolarHBondContact O-N 3.4Å
110	N	26.8	Very low	32.1	Very low	128 Å²	128	123.2 Å²	123.2	68%	0.684	68%	0.676	S	S	*	*			trans	-77.6	123	167.9	-174.5	-13.4	0	0	0	109.3	V108 R112	V108-N110 PolarHBondContact O-N 2.97Å; N110-R112 VanDerWaalsContact C-N 3.26Å; N110-R112 PolarHBondContact O-N 3.07Å
111	P	27.5	Very low	31.4	Very low	120 Å²	120	122.8 Å²	122.8	78%	0.779	69%	0.686	S	S	*	*	S	Bend	trans	-81.3	55.9	-169.9	34.3	-37.9	0	0	0	113.9
112	R	25.7	Very low	30.7	Very low	224 Å²	224	124.7 Å²	124.7	85%	0.845	70%	0.701	S	S	*	*			trans	-148.3	91	170.7	-76.9	-167.9	172.3	151.3	-0.4	113.7	N110	N110-R112 VanDerWaalsContact C-N 3.26Å; N110-R112 PolarHBondContact O-N 3.07Å
113	S	31.7	Very low	29.8	Very low	126 Å²	126	129.7 Å²	129.7	88%	0.881	73%	0.728	S	S	*	*			trans	-156.6	128.8	143.5	54	0	0	0	0	110.8
114	R	26.6	Very low	29.5	Very low	234 Å²	234	134 Å²	134	88%	0.883	77%	0.766	S	S	*	*			trans	-114.1	160.2	179	-142.1	-176.2	-165.5	168.3	5.1	107
115	L	27.6	Very low	29.4	Very low	156 Å²	156	136 Å²	136	82%	0.817	78%	0.779	S	S	*	*			trans	84.6	137.3	166.2	-86.9	82.3	0	0	0	121
116	A	29.4	Very low	29.3	Very low	97 Å²	97	140.3 Å²	140.3	80%	0.802	79%	0.791	S	S	*	*			trans	91.7	107.9	138.5	0	0	0	0	0	118.6
117	A	25.2	Very low	29.3	Very low	101 Å²	101	141.5 Å²	141.5	84%	0.835	80%	0.799	S	S	*	*			trans	-69.4	153.8	156.6	0	0	0	0	0	110.7
118	S	28.9	Very low	29.2	Very low	119 Å²	119	139.8 Å²	139.8	83%	0.832	81%	0.808	S	S	*	*			trans	-133.2	131.6	144.3	-162.5	0	0	0	0	108.7
119	V	25.8	Very low	29.3	Very low	127 Å²	127	138.8 Å²	138.8	77%	0.77	81%	0.807	S	S	*	*			trans	-78	138	170.3	174	0	0	0	0	107.6
120	E	31.3	Very low	29.4	Very low	195 Å²	195	134.8 Å²	134.8	91%	0.911	81%	0.806	S	S	*	*			trans	-153.4	139.7	147.8	-121.8	162.5	-152.9	0	0	111.4
121	S	27.1	Very low	29.7	Very low	100 Å²	100	137.7 Å²	137.7	70%	0.699	81%	0.813	S	S	*	*			trans	-93.8	152.6	-166.9	55.8	0	0	0	0	113
122	C	29.8	Very low	30	Very low	134 Å²	134	142 Å²	142	91%	0.905	81%	0.814	S	S	*	*			trans	-152.2	118.4	143.1	-109.6	0	0	0	0	110.6
123	N	27.1	Very low	30.1	Very low	152 Å²	152	138.7 Å²	138.7	81%	0.813	81%	0.813	S	S	*	*			trans	-82.7	144.8	176.5	-71	-23.2	0	0	0	111.2
124	A	33.9	Very low	30.2	Very low	104 Å²	104	139.3 Å²	139.3	86%	0.86	81%	0.812	S	S	*	*			trans	-146.8	131.7	148.6	0	0	0	0	0	108.3
125	E	30.2	Very low	30.6	Very low	162 Å²	162	133.6 Å²	133.6	76%	0.757	81%	0.805	S	S	*	*			trans	-97.2	-178.6	-161.8	-57.6	173	132.6	0	0	113.7
126	N	32.2	Very low	31	Very low	144 Å²	144	132 Å²	132	77%	0.77	80%	0.804	S	S	*	*			trans	82	125.3	158.7	-60.1	-38.3	0	0	0	117.2
127	S	33	Very low	31.3	Very low	101 Å²	101	133.4 Å²	133.4	71%	0.706	81%	0.805	S	S	*	*			cis	-160.3	151.7	2.3	-73.9	0	0	0	0	112.8
128	A	32.8	Very low	31.7	Very low	101 Å²	101	133.1 Å²	133.1	84%	0.835	80%	0.803	S	S	*	*			trans	57.6	138.3	147.5	0	0	0	0	0	120.4
129	S	33.6	Very low	31.6	Very low	114 Å²	114	136.2 Å²	136.2	80%	0.797	80%	0.804	S	S	*	*			cis	-160.7	131.6	1.3	47.5	0	0	0	0	113.6
130	A	31.2	Very low	31.7	Very low	91 Å²	91	138.7 Å²	138.7	75%	0.752	81%	0.805	S	S	*	*			trans	40	118.5	145.3	0	0	0	0	0	122.3
131	F	33.1	Very low	31.5	Very low	190 Å²	190	136.8 Å²	136.8	83%	0.833	80%	0.796	S	S	*	*				-154.6	100.4	111.3	-127.2	-90.8	0	0	0	114.1
132	R	33.4	Very low	31.4	Very low	209 Å²	209	138.5 Å²	138.5	79%	0.789	80%	0.803	S	S	*	*			trans	38.3	99.2	148.5	-58.2	-176.3	-178.5	-161.1	-1.1	122
133	N	28.9	Very low	31.2	Very low	156 Å²	156	138.2 Å²	138.2	83%	0.834	80%	0.801	S	S	*	*				41.7	112.4	119.7	-56.2	1.6	0	0	0	121.7
134	T	34	Very low	31.1	Very low	138 Å²	138	141 Å²	141	85%	0.847	81%	0.805	S	S	*	*			trans	-132.1	143.1	133.1	38.6	0	0	0	0	109.2
135	P	33.6	Very low	30.8	Very low	114 Å²	114	139.7 Å²	139.7	74%	0.74	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-88.5	151.8	-176	34.8	-34.5	0	0	0	112.7
136	P	36.1	Very low	30.5	Very low	123 Å²	123	137.5 Å²	137.5	80%	0.799	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-78	131.8	170.7	31.8	-32.3	0	0	0	110.9
137	P	36.2	Very low	30.3	Very low	126 Å²	126	139.9 Å²	139.9	82%	0.818	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-82.2	123.1	174.7	30.4	-31.1	0	0	0	112.3
138	A	33.6	Very low	30.1	Very low	96 Å²	96	143.1 Å²	143.1	79%	0.793	82%	0.818	S	S	*	*			trans	31	132.6	144.4	0	0	0	0	0	121.9
139	E	26.2	Very low	29.8	Very low	183 Å²	183	145.6 Å²	145.6	86%	0.855	82%	0.817	S	S	*	*			trans	-47.7	146.9	156.5	-52.8	164.4	141.9	0	0	112.4
140	F	27.5	Very low	29.6	Very low	180 Å²	180	146.5 Å²	146.5	79%	0.789	82%	0.817	S	S	*	*			trans	-151.1	128.8	145	-136.1	-102.3	0	0	0	114.6
141	E	28.6	Very low	29.6	Very low	154 Å²	154	147.5 Å²	147.5	72%	0.72	82%	0.818	S	S	*	*			trans	16.6	141.5	160.2	-58.7	-170.9	157.3	0	0	124.2
142	T	24.1	Very low	29.3	Very low	137 Å²	137	143.8 Å²	143.8	84%	0.84	82%	0.823	S	S	*	*			trans	-94.3	100.6	175.5	-44.2	0	0	0	0	111.4	K144	T142-K144 PolarHBondContact O-N 3.06Å
143	C	26.1	Very low	29.1	Very low	128 Å²	128	137.1 Å²	137.1	87%	0.865	82%	0.82	S	S	*	*			trans	-72.5	116.3	169.7	-89.7	0	0	0	0	111.6	G145	C143-G145 PolarHBondContact O-N 3.42Å
144	K	24	Very low	29.1	Very low	210 Å²	210	141.2 Å²	141.2	91%	0.913	82%	0.823	S	S	*	*			trans	-80	105.5	169.8	-69.5	175.3	179.7	172.2	0	109.4	T142	T142-K144 PolarHBondContact O-N 3.06Å
145	G	28.4	Very low	28.7	Very low	77 Å²	77	143.8 Å²	143.8	79%	0.794	83%	0.826	S	S	*	*			trans	-113.8	120.3	167.7	0	0	0	0	0	110.3	C143	C143-G145 PolarHBondContact O-N 3.42Å
146	S	24.1	Very low	28.6	Very low	116 Å²	116	144.2 Å²	144.2	81%	0.811	83%	0.826	S	S	*	*			trans	-79.3	132.8	176.2	48.8	0	0	0	0	111.4
147	M	28	Very low	28.1	Very low	193 Å²	193	147.1 Å²	147.1	95%	0.951	83%	0.828	S	S	*	*			trans	-141.8	115.6	153.8	-149.4	161	-168.9	0	0	109
148	E	28.3	Very low	27.8	Very low	170 Å²	170	146.5 Å²	146.5	79%	0.794	83%	0.826	S	S	*	*			trans	-87.9	159.9	180	-65.2	172.7	134.5	0	0	110.4
149	D	25.9	Very low	27.7	Very low	153 Å²	153	153.3 Å²	153.3	82%	0.818	83%	0.831	S	S	*	*			trans	57.6	125	166	-64.1	-25.9	0	0	0	120.1
150	V	30.5	Very low	27.8	Very low	132 Å²	132	150.6 Å²	150.6	80%	0.8	83%	0.832	S	S	*	*				-168.4	139.4	99	146.9	0	0	0	0	111.3
151	S	31	Very low	27.8	Very low	112 Å²	112	144.5 Å²	144.5	78%	0.783	82%	0.82	S	S	*	*			trans	67.1	95.9	164.8	63.9	0	0	0	0	119.3	G153	S151-G153 PolarHBondContact O-N 3.18Å
152	A	27	Very low	28	Very low	113 Å²	113	143 Å²	143	93%	0.934	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-74.8	116.2	160.7	0	0	0	0	0	111.4
153	G	29.8	Very low	28.6	Very low	69 Å²	69	142.2 Å²	142.2	71%	0.711	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-98.3	134.3	165.3	0	0	0	0	0	110.7	S151 E155	S151-G153 PolarHBondContact O-N 3.18Å; G153-E155 PolarHBondContact O-N 2.78Å
154	R	27.9	Very low	29.9	Very low	242 Å²	242	142.9 Å²	142.9	91%	0.913	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-52.7	122	-176.4	-78.5	173.1	165.1	153.4	-5.8	113.1	V156	R154-V156 PolarHBondContact O-N 3.03Å
155	E	26.6	Very low	32.1	Very low	191 Å²	191	140.7 Å²	140.7	89%	0.893	80%	0.8	S	S	*	*			trans	-66.6	115.8	161.5	-68.3	-177.8	155.9	0	0	109.6	G153	G153-E155 PolarHBondContact O-N 2.78Å
156	V	30.4	Very low	34.8	Very low	124 Å²	124	139 Å²	139	75%	0.752	78%	0.776	S	S	*	*			trans	-90.6	112.1	169.9	177.4	0	0	0	0	108.3	R154 C158	R154-V156 PolarHBondContact O-N 3.03Å; V156-C158 PolarHBondContact O-N 2.98Å; V156-C158 VanDerWaalsContact O-N 3.09Å
157	H	26.8	Very low	37.8	Very low	183 Å²	183	134.2 Å²	134.2	85%	0.847	74%	0.744	S	S	*	*			trans	-77.7	93.2	-178	-159.1	81.6	0	0	0	110.7
158	C	28.6	Very low	40.7	Very low	113 Å²	113	126.4 Å²	126.4	76%	0.764	71%	0.708	S	S	*	*	P	Polyproline II helix	trans	-67.5	138.4	171.2	-78.6	0	0	0	0	111	V156	V156-C158 PolarHBondContact O-N 2.98Å; V156-C158 VanDerWaalsContact O-N 3.09Å
159	R	31.5	Very low	43.6	Very low	239 Å²	239	124 Å²	124	90%	0.902	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-75.6	154.6	-166.8	-69.4	173.3	170.6	171.5	-5	112.9
160	S	28.6	Very low	46.8	Very low	127 Å²	127	120.1 Å²	120.1	89%	0.888	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-50.7	126.8	173.2	53.5	0	0	0	0	114.6
161	G	27.8	Very low	49.8	Very low	51 Å²	51	113.9 Å²	113.9	53%	0.526	64%	0.642	S	S	.	*	S	Bend	trans	168	85.3	167.9	0	0	0	0	0	112.9
162	T	32.2	Very low	52.6	Low	123 Å²	123	109.2 Å²	109.2	76%	0.755	61%	0.609	S	S	*	*			trans	56.6	153	-175	38.7	0	0	0	0	115.8	D164	T162-D164 VanDerWaalsContact C-N 3.27Å; T162-D164 PolarHBondContact O-N 3.45Å
163	P	38.1	Very low	55.5	Low	120 Å²	120	103.9 Å²	103.9	78%	0.779	56%	0.564	S	S	*	*			trans	-76.4	87.4	166.6	31.4	-30.5	0	0	0	107.5	R165	P163-R165 PolarHBondContact O-N 2.91Å; P163-R165 VanDerWaalsContact O-N 3.16Å
164	D	51.8	Low	57.9	Low	142 Å²	142	101.3 Å²	101.3	76%	0.759	53%	0.534	S	S	*	.	P	Polyproline II helix	trans	-53.7	123.7	175.1	-83.7	-20.5	0	0	0	109.1	T162 C166	T162-D164 VanDerWaalsContact C-N 3.27Å; T162-D164 PolarHBondContact O-N 3.45Å; D164-C166 PolarHBondContact O-N 2.81Å
165	R	70.6	Confident	60.3	Low	164 Å²	164	93.6 Å²	93.6	62%	0.619	51%	0.505	S	S	*	.	P	Polyproline II helix	trans	-75.9	125.2	-172.7	-67.6	-179.4	177.7	-164	-1.4	108.5	Y104 P163 G167	Y104-R165 VanDerWaalsContact CD1-NH1 3.28Å; P163-R165 PolarHBondContact O-N 2.91Å; P163-R165 VanDerWaalsContact O-N 3.16Å; R165-G167 PolarHBondContact O-N 3.17Å
166	C	84.3	Confident	62.9	Low	43 Å²	43	86 Å²	86	29%	0.291	47%	0.473	S	S	.	.	P	Polyproline II helix	trans	-47.5	128.6	174.3	-174.8	0	0	0	0	111.2	D164 D170 F171 F241	D164-C166 PolarHBondContact O-N 2.81Å; C166-D170 WeakPolarHBondContact CA-OD2 3.01Å; C166-F171 VanDerWaalsContact SG-CE2 3.57Å; C166-F241 WeakPolarHBondContact O-CB 3.33Å; C166-F241 WeakPolarHBondContact O-CG 3.48Å
167	G	89	Confident	65.2	Low	15 Å²	15	82.9 Å²	82.9	16%	0.155	45%	0.454	C	S	.	.			trans	-148.1	-178.4	-175.6	0	0	0	0	0	112.9	R165 N169 D170 F171 F241	R165-G167 PolarHBondContact O-N 3.17Å; G167-N169 PolarHBondContact O-N 3.29Å; G167-N169 VanDerWaalsContact O-N 3.11Å; G167-D170 PolarHBondContact N-OD2 2.81Å; G167-D170 PolarHBondContact O-N 3.08Å; G167-D170 VanDerWaalsContact O-N 3.12Å; G167-F171 WeakPolarHBondContact O-CD2 3.45Å; G167-F241 VanDerWaalsContact C-CE2 3.5Å
168	P	87.2	Confident	67.5	Low	28 Å²	28	75.5 Å²	75.5	18%	0.182	43%	0.428	C	S	.	.	G	3₁₀ helix	trans	-57.1	-31.6	-175.2	-23.9	31.9	0	0	0	114.1	D170 F171 F241 Y248 G484 F485	P168-D170 PolarHBondContact O-N 2.87Å; P168-F171 PolarHBondContact O-N 2.87Å; P168-F241 HydrophobicContact CB-CE2 4.47Å; P168-F241 HydrophobicContact CG-CE2 3.89Å; P168-Y248 HydrophobicContact CG-CE1 4.39Å; P168-Y248 HydrophobicContact CG-CE2 4.24Å; P168-G484 WeakPolarHBondContact O-CA 3.41Å; P168-G484 PolarHBondContact O-N 3.37Å; P168-F485 HydrophobicContact CB-CB 4Å
169	N	90.7	Very high	69.6	Low	120 Å²	120	76.8 Å²	76.8	64%	0.642	42%	0.422	S	S	*	.	G	3₁₀ helix	trans	-73.7	-10.1	-176.5	-62	-12.1	0	0	0	113.8	G167 F171 P483 G484	G167-N169 PolarHBondContact O-N 3.29Å; G167-N169 VanDerWaalsContact O-N 3.11Å; N169-F171 PolarHBondContact O-N 2.83Å; N169-P483 WeakPolarHBondContact O-CB 3.42Å; N169-G484 WeakPolarHBondContact OD1-CA 3.24Å
170	D	92.9	Very high	71.5	Confident	71 Å²	71	67.5 Å²	67.5	38%	0.38	40%	0.401	S	S	.	.	G	3₁₀ helix	trans	-80.9	-4.6	172.3	-55.3	-48.5	0	0	0	112.3	C166 G167 P168 A191	C166-D170 WeakPolarHBondContact CA-OD2 3.01Å; G167-D170 PolarHBondContact N-OD2 2.81Å; G167-D170 PolarHBondContact O-N 3.08Å; G167-D170 VanDerWaalsContact O-N 3.12Å; P168-D170 PolarHBondContact O-N 2.87Å; D170-A191 WeakPolarHBondContact O-CB 3.46Å; D170-A191 PolarHBondContact O-N 2.63Å
171	F	92.9	Very high	73.5	Confident	1 Å²	1	65.5 Å²	65.5	0%	0.004	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	136.8	-174.4	-56.9	-84.3	0	0	0	112.3	C166 G167 P168 N169 F173 I189 E190 I199 F241 V250 P483 G484	C166-F171 VanDerWaalsContact SG-CE2 3.57Å; G167-F171 WeakPolarHBondContact O-CD2 3.45Å; P168-F171 PolarHBondContact O-N 2.87Å; N169-F171 PolarHBondContact O-N 2.83Å; F171-F173 HydrophobicContact CB-CD2 4.25Å; F171-F173 HydrophobicContact CB-CE2 3.92Å; F171-I189 WeakPolarHBondContact CA-O 3.49Å; F171-E190 HydrophobicContact CD1-CB 4.15Å; F171-E190 HydrophobicContact CE1-CB 3.91Å; F171-E190 HydrophobicContact CE1-CG 4.09Å; F171-I199 HydrophobicContact CB-CD1 3.61Å; F171-I199 HydrophobicContact CD1-CD1 3.92Å; F171-I199 HydrophobicContact CG-CD1 3.77Å; F171-F241 AromaticContact CD2-CE1 3.95Å; F171-F241 HydrophobicContact CD2-CE1 3.95Å; F171-F241 AromaticContact CD2-CZ 3.9Å; F171-F241 HydrophobicContact CD2-CZ 3.9Å; F171-F241 HydrophobicContact CE2-CD1 4.38Å; F171-F241 AromaticContact CE2-CE1 3.41Å; F171-F241 HydrophobicContact CE2-CE1 3.41Å; F171-F241 VanDerWaalsContact CE2-CE1 3.41Å; F171-F241 AromaticContact CE2-CZ 3.84Å; F171-F241 HydrophobicContact CE2-CZ 3.84Å; F171-F241 HydrophobicContact CZ-CE1 4.21Å; F171-V250 HydrophobicContact CD1-CG1 4.39Å; F171-V250 HydrophobicContact CE1-CB 4.49Å; F171-V250 HydrophobicContact CE1-CG1 3.69Å; F171-V250 HydrophobicContact CE1-CG2 4.05Å; F171-V250 HydrophobicContact CE2-CG2 4.09Å; F171-V250 HydrophobicContact CZ-CB 4.45Å; F171-V250 HydrophobicContact CZ-CG1 4.11Å; F171-V250 HydrophobicContact CZ-CG2 3.76Å; F171-P483 VanDerWaalsContact O-CA 3.31Å; F171-P483 WeakPolarHBondContact O-CA 3.41Å; F171-G484 PolarHBondContact O-N 2.73Å
172	V	89.6	Confident	76.3	Confident	14 Å²	14	64.4 Å²	64.4	9%	0.085	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	108.9	167.3	179.6	0	0	0	0	107.8	I174 G188 I189 L481 P483	V172-I174 HydrophobicContact CG1-CD1 4.5Å; V172-I174 HydrophobicContact CG1-CG1 4.09Å; V172-G188 CarbonylContact O-C 3.58Å; V172-G188 WeakPolarHBondContact O-CA 3.32Å; V172-I189 PolarHBondContact N-O 2.97Å; V172-I189 PolarHBondContact O-N 3.32Å; V172-L481 HydrophobicContact CG1-CB 3.57Å; V172-L481 HydrophobicContact CG1-CD1 4.28Å; V172-P483 HydrophobicContact CG2-CB 4.19Å; V172-P483 HydrophobicContact CG2-CG 3.84Å
173	F	87.7	Confident	78.9	Confident	1 Å²	1	59.2 Å²	59.2	0%	0.004	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	130.3	175.1	-69.2	-112.9	0	0	0	109.6	F171 F186 I199 V201 Y248 G484 F485 R492 L493	F171-F173 HydrophobicContact CB-CD2 4.25Å; F171-F173 HydrophobicContact CB-CE2 3.92Å; F173-F186 HydrophobicContact CD1-CB 3.7Å; F173-F186 HydrophobicContact CD1-CD2 4.02Å; F173-F186 AromaticContact CD1-CG 3.9Å; F173-F186 HydrophobicContact CD1-CG 3.9Å; F173-F186 HydrophobicContact CE1-CB 4.37Å; F173-F186 HydrophobicContact CE1-CD2 4.18Å; F173-F186 HydrophobicContact CE1-CG 4.49Å; F173-I199 HydrophobicContact CD1-CD1 4.15Å; F173-I199 HydrophobicContact CD2-CD1 4.31Å; F173-I199 HydrophobicContact CE1-CB 3.85Å; F173-I199 HydrophobicContact CE1-CD1 3.78Å; F173-I199 HydrophobicContact CE1-CG1 4.41Å; F173-I199 HydrophobicContact CE1-CG2 3.66Å; F173-I199 HydrophobicContact CE2-CD1 3.95Å; F173-I199 HydrophobicContact CG-CD1 4.41Å; F173-I199 HydrophobicContact CZ-CB 4.3Å; F173-I199 HydrophobicContact CZ-CD1 3.68Å; F173-I199 HydrophobicContact CZ-CG2 3.76Å; F173-V201 HydrophobicContact CE1-CG2 3.9Å; F173-Y248 HydrophobicContact CZ-CD1 4.27Å; F173-Y248 HydrophobicContact CZ-CE1 4.18Å; F173-G484 WeakPolarHBondContact CD2-O 3.46Å; F173-F485 HydrophobicContact CB-CD2 4.38Å; F173-F485 AromaticContact CD1-CD2 3.35Å; F173-F485 HydrophobicContact CD1-CD2 3.35Å; F173-F485 AromaticContact CD1-CE2 3.63Å; F173-F485 HydrophobicContact CD1-CE2 3.63Å; F173-F485 HydrophobicContact CD1-CG 4.36Å; F173-F485 HydrophobicContact CD2-CB 4.28Å; F173-F485 HydrophobicContact CD2-CD2 4.01Å; F173-F485 HydrophobicContact CE1-CB 4.43Å; F173-F485 AromaticContact CE1-CD2 3.4Å; F173-F485 HydrophobicContact CE1-CD2 3.4Å; F173-F485 VanDerWaalsContact CE1-CD2 3.4Å; F173-F485 AromaticContact CE1-CE2 3.78Å; F173-F485 HydrophobicContact CE1-CE2 3.78Å; F173-F485 HydrophobicContact CE1-CG 4.03Å; F173-F485 HydrophobicContact CE2-CB 3.83Å; F173-F485 HydrophobicContact CE2-CD2 4.06Å; F173-F485 HydrophobicContact CE2-CG 4.3Å; F173-F485 AromaticContact CG-CD2 3.67Å; F173-F485 HydrophobicContact CG-CD2 3.67Å; F173-F485 HydrophobicContact CG-CE2 4.28Å; F173-F485 HydrophobicContact CZ-CB 3.9Å; F173-F485 AromaticContact CZ-CD2 3.76Å; F173-F485 HydrophobicContact CZ-CD2 3.76Å; F173-F485 AromaticContact CZ-CG 3.99Å; F173-F485 HydrophobicContact CZ-CG 3.99Å; F173-R492 PolarHBondContact O-NH2 2.93Å; F173-L493 HydrophobicContact CB-CD1 3.66Å; F173-L493 HydrophobicContact CB-CD2 4.36Å; F173-L493 HydrophobicContact CG-CD1 4.45Å
174	I	80.1	Confident	81.1	Confident	15 Å²	15	55 Å²	55	8%	0.077	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	-54	-167.1	-62.5	176.9	0	0	0	112.5	V172 A187 I189 F474 F478 L481 R492 L493	V172-I174 HydrophobicContact CG1-CD1 4.5Å; V172-I174 HydrophobicContact CG1-CG1 4.09Å; I174-A187 WeakPolarHBondContact CA-O 3.28Å; I174-A187 PolarHBondContact N-O 3.11Å; I174-I189 HydrophobicContact CD1-CB 4.37Å; I174-I189 HydrophobicContact CD1-CD1 3.54Å; I174-I189 HydrophobicContact CD1-CG1 3.71Å; I174-F474 HydrophobicContact CB-CD1 4.17Å; I174-F474 HydrophobicContact CB-CE1 4.14Å; I174-F474 HydrophobicContact CD1-CD1 3.39Å; I174-F474 HydrophobicContact CD1-CE1 3.71Å; I174-F474 HydrophobicContact CD1-CG 4.46Å; I174-F474 HydrophobicContact CG1-CD1 4.32Å; I174-F474 HydrophobicContact CG1-CE1 4.42Å; I174-F474 HydrophobicContact CG2-CD1 3.97Å; I174-F474 HydrophobicContact CG2-CE1 4.35Å; I174-F478 HydrophobicContact CD1-CB 3.93Å; I174-F478 HydrophobicContact CD1-CG 4.44Å; I174-L481 HydrophobicContact CG1-CD1 4.11Å; I174-L481 HydrophobicContact CG2-CD1 4.46Å; I174-R492 PolarHBondContact O-NH1 3.13Å; I174-L493 VanDerWaalsContact C-CD2 3.43Å; I174-L493 WeakPolarHBondContact O-CD2 3.39Å
175	R	79.7	Confident	83	Confident	81 Å²	81	49.9 Å²	49.9	31%	0.306	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	150.5	176.9	62	176.1	176.8	116.5	-9.3	111.9	V177 F186 A187	R175-V177 HydrophobicContact CG-CG1 4.11Å; R175-F186 CarbonylContact O-C 3.55Å; R175-F186 VanDerWaalsContact O-CA 3.29Å; R175-F186 WeakPolarHBondContact O-CA 3.19Å; R175-A187 HydrophobicContact CG-CB 4.01Å; R175-A187 PolarHBondContact N-O 2.96Å; R175-A187 PolarHBondContact O-N 2.94Å
176	S	80.7	Confident	83.8	Confident	32 Å²	32	42.1 Å²	42.1	22%	0.224	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	141.5	162.7	-171.2	0	0	0	0	109.4	E179	S176-E179 PolarHBondContact OG-OE1 3.48Å
177	V	79	Confident	84.1	Confident	57 Å²	57	40.1 Å²	40.1	35%	0.345	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	-13.6	176.7	-63.5	0	0	0	0	113.7	R175 V185 A187 F253	R175-V177 HydrophobicContact CG-CG1 4.11Å; V177-V185 HydrophobicContact CG2-CB 3.94Å; V177-V185 HydrophobicContact CG2-CG1 3.64Å; V177-V185 WeakPolarHBondContact CG2-O 3.41Å; V177-V185 PolarHBondContact N-O 2.67Å; V177-A187 HydrophobicContact CG1-CB 3.66Å; V177-F253 HydrophobicContact CG1-CE2 4.14Å; V177-F253 HydrophobicContact CG1-CZ 4.43Å
178	G	75	Confident	84.2	Confident	29 Å²	29	39.4 Å²	39.4	30%	0.299	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.4	148.3	175	0	0	0	0	0	111.6	V185	G178-V185 PolarHBondContact N-O 2.96Å; G178-V185 PolarHBondContact O-N 3.05Å
179	E	72.8	Confident	84.5	Confident	139 Å²	139	38.5 Å²	38.5	65%	0.65	23%	0.227	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-130.8	138.7	-179.2	-70.3	175.7	-168.1	0	0	109.8	S176	S176-E179 PolarHBondContact OG-OE1 3.48Å
180	G	70.5	Confident	84.6	Confident	44 Å²	44	35 Å²	35	45%	0.454	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	170.7	179.5	0	0	0	0	0	111.4	F182 S183	G180-F182 PolarHBondContact O-N 3.45Å; G180-S183 PolarHBondContact N-O 2.86Å; G180-S183 PolarHBondContact O-N 3.41Å
181	S	71.9	Confident	84.5	Confident	85 Å²	85	34.3 Å²	34.3	59%	0.594	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-18.5	-168.8	57.6	0	0	0	0	117.4	L206	S181-L206 WeakPolarHBondContact O-CD2 3.39Å
182	F	85.2	Confident	84.3	Confident	28 Å²	28	38.9 Å²	38.9	12%	0.123	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-144.6	13	176.4	57.9	-93.5	0	0	0	113.3	G180 C202 E203 L206 I207 K212 V216	G180-F182 PolarHBondContact O-N 3.45Å; F182-C202 HydrophobicContact CD2-CB 4.42Å; F182-C202 WeakPolarHBondContact O-CA 3.48Å; F182-E203 PolarHBondContact O-N 3.01Å; F182-E203 VanDerWaalsContact O-N 3.09Å; F182-L206 HydrophobicContact CB-CB 4.39Å; F182-L206 HydrophobicContact CB-CD2 4.31Å; F182-L206 HydrophobicContact CB-CG 4Å; F182-I207 HydrophobicContact CB-CG1 4.24Å; F182-I207 HydrophobicContact CD2-CD1 4.49Å; F182-I207 HydrophobicContact CD2-CG1 3.68Å; F182-I207 HydrophobicContact CE2-CG1 4.45Å; F182-I207 HydrophobicContact CG-CG1 4.18Å; F182-K212 HydrophobicContact CD1-CB 4.1Å; F182-K212 HydrophobicContact CD1-CD 4.39Å; F182-K212 HydrophobicContact CD1-CG 3.69Å; F182-K212 HydrophobicContact CE1-CB 3.95Å; F182-K212 HydrophobicContact CE1-CD 4.01Å; F182-K212 HydrophobicContact CE1-CG 3.69Å; F182-K212 HydrophobicContact CG-CG 4.49Å; F182-K212 HydrophobicContact CZ-CB 4.28Å; F182-K212 HydrophobicContact CZ-CG 4.49Å; F182-V216 HydrophobicContact CD2-CG2 4.28Å; F182-V216 HydrophobicContact CE2-CG2 3.61Å; F182-V216 HydrophobicContact CZ-CG2 4.26Å
183	S	87.3	Confident	84.4	Confident	15 Å²	15	42 Å²	42	11%	0.105	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	142.6	-174.1	63.8	0	0	0	0	113.2	G180 K200 V201 C202	G180-S183 PolarHBondContact N-O 2.86Å; G180-S183 PolarHBondContact O-N 3.41Å; S183-K200 WeakPolarHBondContact OG-CE 3.42Å; S183-V201 CarbonylContact C-O 3.56Å; S183-V201 WeakPolarHBondContact CA-O 3.42Å; S183-V201 WeakPolarHBondContact CB-O 3.48Å; S183-C202 WeakPolarHBondContact CB-SG 3.39Å
184	S	85	Confident	84.5	Confident	31 Å²	31	44.3 Å²	44.3	22%	0.217	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	141	169	-59.1	0	0	0	0	109.8	V201	S184-V201 PolarHBondContact N-O 3.21Å; S184-V201 PolarHBondContact O-N 2.95Å
185	V	90.8	Very high	85	Confident	35 Å²	35	48.7 Å²	48.7	21%	0.212	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	127.8	176.8	-169.9	0	0	0	0	108.4	V177 G178 A198 I199 K200	V177-V185 HydrophobicContact CG2-CB 3.94Å; V177-V185 HydrophobicContact CG2-CG1 3.64Å; V177-V185 WeakPolarHBondContact CG2-O 3.41Å; V177-V185 PolarHBondContact N-O 2.67Å; G178-V185 PolarHBondContact N-O 2.96Å; G178-V185 PolarHBondContact O-N 3.05Å; V185-A198 HydrophobicContact CG1-CB 4.05Å; V185-I199 WeakPolarHBondContact CA-O 3.41Å; V185-K200 HydrophobicContact CG2-CB 4.14Å; V185-K200 HydrophobicContact CG2-CG 4.03Å
186	F	88.2	Confident	85.7	Confident	1 Å²	1	48.3 Å²	48.3	0%	0.004	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	140.5	177.5	-57.8	-86.3	0	0	0	110.5	F173 R175 A198 I199 V201 F485 L490 L493	F173-F186 HydrophobicContact CD1-CB 3.7Å; F173-F186 HydrophobicContact CD1-CD2 4.02Å; F173-F186 AromaticContact CD1-CG 3.9Å; F173-F186 HydrophobicContact CD1-CG 3.9Å; F173-F186 HydrophobicContact CE1-CB 4.37Å; F173-F186 HydrophobicContact CE1-CD2 4.18Å; F173-F186 HydrophobicContact CE1-CG 4.49Å; R175-F186 CarbonylContact O-C 3.55Å; R175-F186 VanDerWaalsContact O-CA 3.29Å; R175-F186 WeakPolarHBondContact O-CA 3.19Å; F186-A198 CarbonylContact O-C 3.56Å; F186-A198 WeakPolarHBondContact O-CA 3.36Å; F186-I199 PolarHBondContact N-O 2.67Å; F186-I199 PolarHBondContact O-N 3.08Å; F186-V201 HydrophobicContact CD2-CG2 3.79Å; F186-V201 HydrophobicContact CE2-CB 4.22Å; F186-V201 HydrophobicContact CE2-CG2 3.89Å; F186-F485 AromaticContact CD2-CE2 3.86Å; F186-F485 HydrophobicContact CD2-CE2 3.86Å; F186-F485 HydrophobicContact CD2-CZ 4.1Å; F186-F485 HydrophobicContact CE1-CE2 4.28Å; F186-F485 AromaticContact CE2-CE2 3.56Å; F186-F485 HydrophobicContact CE2-CE2 3.56Å; F186-F485 AromaticContact CE2-CZ 3.38Å; F186-F485 HydrophobicContact CE2-CZ 3.38Å; F186-F485 HydrophobicContact CG-CE2 4.33Å; F186-F485 AromaticContact CZ-CE2 3.8Å; F186-F485 HydrophobicContact CZ-CE2 3.8Å; F186-F485 AromaticContact CZ-CZ 3.63Å; F186-F485 HydrophobicContact CZ-CZ 3.63Å; F186-L490 HydrophobicContact CZ-CD1 4.29Å; F186-L493 HydrophobicContact CD1-CB 4.16Å; F186-L493 HydrophobicContact CD1-CD1 3.97Å; F186-L493 HydrophobicContact CD1-CD2 4.23Å; F186-L493 HydrophobicContact CD1-CG 4.36Å; F186-L493 HydrophobicContact CE1-CB 3.82Å; F186-L493 HydrophobicContact CE1-CD1 4.07Å; F186-L493 HydrophobicContact CE1-CG 4.42Å
187	A	89.5	Confident	86.4	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	133.5	160.8	0	0	0	0	0	108.7	I174 R175 V177 F253 F474	I174-A187 WeakPolarHBondContact CA-O 3.28Å; I174-A187 PolarHBondContact N-O 3.11Å; R175-A187 HydrophobicContact CG-CB 4.01Å; R175-A187 PolarHBondContact N-O 2.96Å; R175-A187 PolarHBondContact O-N 2.94Å; V177-A187 HydrophobicContact CG1-CB 3.66Å; A187-F253 HydrophobicContact CB-CD2 4.38Å; A187-F253 HydrophobicContact CB-CE1 4.28Å; A187-F253 HydrophobicContact CB-CE2 3.75Å; A187-F253 HydrophobicContact CB-CZ 3.69Å; A187-F474 HydrophobicContact CB-CE1 3.84Å; A187-F474 HydrophobicContact CB-CZ 3.87Å
188	G	91.9	Very high	87.2	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	177.5	178.5	0	0	0	0	0	112.9	V172 C197	V172-G188 CarbonylContact O-C 3.58Å; V172-G188 WeakPolarHBondContact O-CA 3.32Å; G188-C197 PolarHBondContact N-O 3.47Å; G188-C197 PolarHBondContact O-N 3.43Å; G188-C197 PolarHBondContact O-SG 2.79Å
189	I	92.4	Very high	88.1	Confident	10 Å²	10	43.2 Å²	43.2	5%	0.051	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	130.6	178.6	-68	173.8	0	0	0	109.1	F171 V172 I174 A191 R195 F474 F478	F171-I189 WeakPolarHBondContact CA-O 3.49Å; V172-I189 PolarHBondContact N-O 2.97Å; V172-I189 PolarHBondContact O-N 3.32Å; I174-I189 HydrophobicContact CD1-CB 4.37Å; I174-I189 HydrophobicContact CD1-CD1 3.54Å; I174-I189 HydrophobicContact CD1-CG1 3.71Å; I189-A191 PolarHBondContact O-N 3.42Å; I189-R195 WeakPolarHBondContact CA-O 3.36Å; I189-F474 HydrophobicContact CD1-CD1 4.39Å; I189-F478 HydrophobicContact CD1-CD1 4.27Å; I189-F478 HydrophobicContact CD1-CD2 3.63Å; I189-F478 HydrophobicContact CD1-CE1 4.28Å; I189-F478 HydrophobicContact CD1-CE2 3.64Å; I189-F478 HydrophobicContact CD1-CG 3.99Å; I189-F478 HydrophobicContact CD1-CZ 3.98Å
190	E	93.5	Very high	89.2	Confident	47 Å²	47	37.5 Å²	37.5	22%	0.22	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	110.9	169	179.6	177.5	-143	0	0	108.9	F171 A192 T193 G194 R195	F171-E190 HydrophobicContact CD1-CB 4.15Å; F171-E190 HydrophobicContact CE1-CB 3.91Å; F171-E190 HydrophobicContact CE1-CG 4.09Å; E190-A192 PolarHBondContact O-N 3.28Å; E190-T193 WeakPolarHBondContact CB-OG1 3.47Å; E190-T193 VanDerWaalsContact CD-OG1 3.27Å; E190-T193 HydrophobicContact CG-CG2 4.13Å; E190-T193 WeakPolarHBondContact CG-OG1 3.38Å; E190-T193 PolarHBondContact O-N 2.92Å; E190-T193 VanDerWaalsContact O-N 3.16Å; E190-T193 WeakPolarHBondContact OE2-CB 3.37Å; E190-T193 VanDerWaalsContact OE2-CG2 3.28Å; E190-T193 WeakPolarHBondContact OE2-CG2 3.45Å; E190-T193 PolarHBondContact OE2-OG1 2.68Å; E190-G194 WeakPolarHBondContact O-CA 3.3Å; E190-G194 PolarHBondContact O-N 2.69Å; E190-R195 HydrophobicContact CB-CB 4.29Å; E190-R195 PolarHBondContact N-O 3.11Å; E190-R195 IonicContact OE2-CZ 3.09Å; E190-R195 IonicContact OE2-NH1 3.68Å; E190-R195 PolarHBondContact OE2-NH1 3.31Å; E190-R195 VanDerWaalsContact OE2-NH1 3.07Å
191	A	89.8	Confident	90.3	Very high	56 Å²	56	35.8 Å²	35.8	46%	0.463	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-30.8	-167.8	0	0	0	0	0	113.2	D170 I189	D170-A191 WeakPolarHBondContact O-CB 3.46Å; D170-A191 PolarHBondContact O-N 2.63Å; I189-A191 PolarHBondContact O-N 3.42Å
192	A	89.9	Confident	91.2	Very high	97 Å²	97	31.7 Å²	31.7	80%	0.802	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-28.5	179.7	0	0	0	0	0	114	E190	E190-A192 PolarHBondContact O-N 3.28Å
193	T	91.1	Very high	91.4	Very high	79 Å²	79	35 Å²	35	49%	0.485	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.1	-18.4	-170.7	68.4	0	0	0	0	113.7	E190 R195	E190-T193 WeakPolarHBondContact CB-OG1 3.47Å; E190-T193 VanDerWaalsContact CD-OG1 3.27Å; E190-T193 HydrophobicContact CG-CG2 4.13Å; E190-T193 WeakPolarHBondContact CG-OG1 3.38Å; E190-T193 PolarHBondContact O-N 2.92Å; E190-T193 VanDerWaalsContact O-N 3.16Å; E190-T193 WeakPolarHBondContact OE2-CB 3.37Å; E190-T193 VanDerWaalsContact OE2-CG2 3.28Å; E190-T193 WeakPolarHBondContact OE2-CG2 3.45Å; E190-T193 PolarHBondContact OE2-OG1 2.68Å; T193-R195 PolarHBondContact O-N 3.18Å; T193-R195 VanDerWaalsContact OG1-CB 3.23Å; T193-R195 WeakPolarHBondContact OG1-CB 3.48Å; T193-R195 PolarHBondContact OG1-N 3.35Å
194	G	89.5	Confident	91.7	Very high	49 Å²	49	36 Å²	36	51%	0.505	22%	0.216	S	C	.	.			trans	73.8	7.5	-168.9	0	0	0	0	0	114.1	E190 E196	E190-G194 WeakPolarHBondContact O-CA 3.3Å; E190-G194 PolarHBondContact O-N 2.69Å; G194-E196 PolarHBondContact O-N 2.67Å
195	R	91.7	Very high	92	Very high	108 Å²	108	42.3 Å²	42.3	41%	0.408	24%	0.242	S	C	.	.			trans	-70.5	126.4	-178.3	-174.4	-171.4	-63.7	134.5	7.5	111.5	I189 E190 T193	I189-R195 WeakPolarHBondContact CA-O 3.36Å; E190-R195 HydrophobicContact CB-CB 4.29Å; E190-R195 PolarHBondContact N-O 3.11Å; E190-R195 IonicContact OE2-CZ 3.09Å; E190-R195 IonicContact OE2-NH1 3.68Å; E190-R195 PolarHBondContact OE2-NH1 3.31Å; E190-R195 VanDerWaalsContact OE2-NH1 3.07Å; T193-R195 PolarHBondContact O-N 3.18Å; T193-R195 VanDerWaalsContact OG1-CB 3.23Å; T193-R195 WeakPolarHBondContact OG1-CB 3.48Å; T193-R195 PolarHBondContact OG1-N 3.35Å
196	E	93.1	Very high	91.7	Very high	73 Å²	73	42.9 Å²	42.9	34%	0.341	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	132.7	167.9	-58.1	-179.8	175.8	0	0	111.2	G194 F253 Q255 F474	G194-E196 PolarHBondContact O-N 2.67Å; E196-F253 HydrophobicContact CB-CD1 4.34Å; E196-Q255 PolarHBondContact OE2-NE2 3.48Å; E196-F474 HydrophobicContact CB-CE2 3.92Å; E196-F474 HydrophobicContact CB-CZ 4.25Å; E196-F474 HydrophobicContact CG-CD2 3.89Å; E196-F474 HydrophobicContact CG-CE2 3.53Å; E196-F474 HydrophobicContact CG-CZ 4.19Å; E196-F474 WeakPolarHBondContact OE1-CD2 3.34Å; E196-F474 WeakPolarHBondContact OE2-CE2 3.42Å
197	C	95.3	Very high	91.8	Very high	1 Å²	1	43 Å²	43	1%	0.007	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	152.9	-179.2	60	0	0	0	0	112	G188 F238 V250 M251	G188-C197 PolarHBondContact N-O 3.47Å; G188-C197 PolarHBondContact O-N 3.43Å; G188-C197 PolarHBondContact O-SG 2.79Å; C197-F238 HydrophobicContact CB-CD2 4.39Å; C197-F238 HydrophobicContact CB-CE2 4.42Å; C197-V250 HydrophobicContact CB-CG1 3.72Å; C197-M251 WeakPolarHBondContact CA-O 3.38Å
198	A	95.7	Very high	91.9	Very high	9 Å²	9	49.6 Å²	49.6	7%	0.074	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	135.3	161	0	0	0	0	0	108.5	V185 F186 V250 M251 F253	V185-A198 HydrophobicContact CG1-CB 4.05Å; F186-A198 CarbonylContact O-C 3.56Å; F186-A198 WeakPolarHBondContact O-CA 3.36Å; A198-V250 CarbonylContact O-C 3.56Å; A198-V250 WeakPolarHBondContact O-CA 3.4Å; A198-M251 HydrophobicContact CB-CG 3.73Å; A198-M251 PolarHBondContact N-O 2.84Å; A198-M251 PolarHBondContact O-N 3.4Å; A198-F253 HydrophobicContact CB-CD2 4.18Å
199	I	95.8	Very high	91.8	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	103.6	178	-50.2	175.2	0	0	0	107.7	F171 F173 V185 F186 V201 Y248 F249 V250	F171-I199 HydrophobicContact CB-CD1 3.61Å; F171-I199 HydrophobicContact CD1-CD1 3.92Å; F171-I199 HydrophobicContact CG-CD1 3.77Å; F173-I199 HydrophobicContact CD1-CD1 4.15Å; F173-I199 HydrophobicContact CD2-CD1 4.31Å; F173-I199 HydrophobicContact CE1-CB 3.85Å; F173-I199 HydrophobicContact CE1-CD1 3.78Å; F173-I199 HydrophobicContact CE1-CG1 4.41Å; F173-I199 HydrophobicContact CE1-CG2 3.66Å; F173-I199 HydrophobicContact CE2-CD1 3.95Å; F173-I199 HydrophobicContact CG-CD1 4.41Å; F173-I199 HydrophobicContact CZ-CB 4.3Å; F173-I199 HydrophobicContact CZ-CD1 3.68Å; F173-I199 HydrophobicContact CZ-CG2 3.76Å; V185-I199 WeakPolarHBondContact CA-O 3.41Å; F186-I199 PolarHBondContact N-O 2.67Å; F186-I199 PolarHBondContact O-N 3.08Å; I199-V201 HydrophobicContact CG2-CG2 4.12Å; I199-Y248 HydrophobicContact CG2-CD1 4.13Å; I199-F249 WeakPolarHBondContact CA-O 3.29Å; I199-V250 HydrophobicContact CG1-CG1 4.44Å; I199-V250 HydrophobicContact CG1-CG2 4.38Å; I199-V250 HydrophobicContact CG2-CG2 4.33Å
200	K	95	Very high	91.4	Very high	19 Å²	19	62.7 Å²	62.7	8%	0.083	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	112.5	173.4	-175.4	-176.6	-165.6	-177.6	0	108.2	S183 V185 E219 Y248 F249 M251	S183-K200 WeakPolarHBondContact OG-CE 3.42Å; V185-K200 HydrophobicContact CG2-CB 4.14Å; V185-K200 HydrophobicContact CG2-CG 4.03Å; K200-E219 IonicContact NZ-OE1 3.78Å; K200-E219 PolarHBondContact NZ-OE1 3.34Å; K200-E219 IonicContact NZ-OE2 2.65Å; K200-E219 PolarHBondContact NZ-OE2 3.04Å; K200-Y248 WeakPolarHBondContact O-CA 3.21Å; K200-F249 HydrophobicContact CB-CB 4.26Å; K200-F249 PolarHBondContact N-O 3.14Å; K200-F249 PolarHBondContact O-N 3.45Å; K200-M251 HydrophobicContact CB-CE 3.73Å; K200-M251 HydrophobicContact CD-CE 4.37Å
201	V	92.6	Very high	91.2	Very high	8 Å²	8	70.2 Å²	70.2	5%	0.048	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	119.1	179.4	-173.2	0	0	0	0	108.2	F173 S183 S184 F186 I199 R246 L247 Y248 F485	F173-V201 HydrophobicContact CE1-CG2 3.9Å; S183-V201 CarbonylContact C-O 3.56Å; S183-V201 WeakPolarHBondContact CA-O 3.42Å; S183-V201 WeakPolarHBondContact CB-O 3.48Å; S184-V201 PolarHBondContact N-O 3.21Å; S184-V201 PolarHBondContact O-N 2.95Å; F186-V201 HydrophobicContact CD2-CG2 3.79Å; F186-V201 HydrophobicContact CE2-CB 4.22Å; F186-V201 HydrophobicContact CE2-CG2 3.89Å; I199-V201 HydrophobicContact CG2-CG2 4.12Å; V201-R246 HydrophobicContact CG1-CB 4.04Å; V201-R246 HydrophobicContact CG1-CG 4.05Å; V201-L247 CarbonylContact C-O 3.41Å; V201-L247 WeakPolarHBondContact CA-O 3.49Å; V201-Y248 HydrophobicContact CB-CD1 4.4Å; V201-Y248 HydrophobicContact CB-CE1 4.39Å; V201-Y248 HydrophobicContact CG1-CD1 4.16Å; V201-Y248 HydrophobicContact CG1-CE1 3.78Å; V201-Y248 HydrophobicContact CG2-CD1 3.72Å; V201-Y248 HydrophobicContact CG2-CE1 3.79Å; V201-F485 HydrophobicContact CB-CE1 4.47Å; V201-F485 HydrophobicContact CG1-CD1 4.37Å; V201-F485 HydrophobicContact CG1-CE1 3.83Å; V201-F485 HydrophobicContact CG1-CZ 4.35Å; V201-F485 HydrophobicContact CG2-CE1 4.28Å; V201-F485 HydrophobicContact CG2-CE2 4.48Å; V201-F485 HydrophobicContact CG2-CZ 4.15Å
202	C	91.6	Very high	91.1	Very high	0 Å²	0	69.2 Å²	69.2	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	131.3	-176.8	-46.1	0	0	0	0	111.2	F182 S183 I207 R246 L247	F182-C202 HydrophobicContact CD2-CB 4.42Å; F182-C202 WeakPolarHBondContact O-CA 3.48Å; S183-C202 WeakPolarHBondContact CB-SG 3.39Å; C202-I207 HydrophobicContact CB-CD1 3.63Å; C202-I207 HydrophobicContact CB-CG1 4.41Å; C202-R246 CarbonylContact O-C 3.55Å; C202-R246 WeakPolarHBondContact O-CA 3.28Å; C202-L247 HydrophobicContact CB-CB 4.39Å; C202-L247 PolarHBondContact N-O 2.95Å; C202-L247 PolarHBondContact O-N 2.94Å
203	E	89.7	Confident	91.2	Very high	98 Å²	98	66 Å²	66	46%	0.458	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	118.8	-175.4	-70.2	-175.1	-164.9	0	0	112.5	F182 Q205 L206 I207	F182-E203 PolarHBondContact O-N 3.01Å; F182-E203 VanDerWaalsContact O-N 3.09Å; E203-Q205 VanDerWaalsContact C-N 3.31Å; E203-Q205 PolarHBondContact O-N 3.34Å; E203-L206 HydrophobicContact CB-CB 3.97Å; E203-L206 PolarHBondContact O-N 3.17Å; E203-I207 WeakPolarHBondContact O-CD1 3.43Å; E203-I207 VanDerWaalsContact O-CG1 3.23Å; E203-I207 WeakPolarHBondContact O-CG1 3.01Å; E203-I207 PolarHBondContact O-N 3.5Å
204	K	93.4	Very high	91.1	Very high	35 Å²	35	65.3 Å²	65.3	15%	0.152	30%	0.3	C	S	.	.	H	α-helix	trans	-59.1	-39	-175.3	-70.6	174.7	169.6	-176.6	0	113.2	R208 Q242 D243 E244 G245 R246 L247	K204-R208 VanDerWaalsContact O-CG 3.29Å; K204-R208 WeakPolarHBondContact O-CG 3.37Å; K204-R208 PolarHBondContact O-N 3.21Å; K204-Q242 VanDerWaalsContact CE-OE1 3.24Å; K204-D243 PolarHBondContact NZ-O 3.37Å; K204-E244 WeakPolarHBondContact CD-O 2.87Å; K204-G245 VanDerWaalsContact CB-O 3.28Å; K204-G245 WeakPolarHBondContact CB-O 3.37Å; K204-G245 WeakPolarHBondContact CG-O 3.35Å; K204-G245 PolarHBondContact N-O 2.95Å; K204-R246 WeakPolarHBondContact CE-O 3.5Å; K204-L247 HydrophobicContact CD-CD2 4.42Å; K204-L247 HydrophobicContact CG-CD2 4.21Å; K204-L247 HydrophobicContact CG-CG 3.99Å
205	Q	91.4	Very high	91.1	Very high	163 Å²	163	64.2 Å²	64.2	76%	0.762	28%	0.281	S	S	*	.	H	α-helix	trans	-67	-44.5	179.2	-63.2	-170.6	7.3	0	0	111	E203 R208 R209	E203-Q205 VanDerWaalsContact C-N 3.31Å; E203-Q205 PolarHBondContact O-N 3.34Å; Q205-R208 PolarHBondContact O-N 3.45Å; Q205-R209 WeakPolarHBondContact O-CB 3.42Å; Q205-R209 PolarHBondContact O-N 3.17Å
206	L	85.1	Confident	91.2	Very high	48 Å²	48	59.1 Å²	59.1	25%	0.251	26%	0.262	S	S	.	.	H	α-helix	trans	-69.7	-41.7	-179.6	-166.8	50.8	0	0	0	111.8	S181 F182 E203 R208 R209 E210	S181-L206 WeakPolarHBondContact O-CD2 3.39Å; F182-L206 HydrophobicContact CB-CB 4.39Å; F182-L206 HydrophobicContact CB-CD2 4.31Å; F182-L206 HydrophobicContact CB-CG 4Å; E203-L206 HydrophobicContact CB-CB 3.97Å; E203-L206 PolarHBondContact O-N 3.17Å; L206-R208 VanDerWaalsContact C-N 3.28Å; L206-R208 PolarHBondContact O-N 3.39Å; L206-R209 PolarHBondContact O-N 2.84Å; L206-E210 HydrophobicContact CD1-CG 3.92Å; L206-E210 HydrophobicContact CG-CG 4.44Å; L206-E210 WeakPolarHBondContact O-CB 3.3Å; L206-E210 WeakPolarHBondContact O-CG 3.17Å; L206-E210 PolarHBondContact O-N 3.11Å
207	I	89.7	Confident	91.1	Very high	2 Å²	2	56.2 Å²	56.2	1%	0.01	25%	0.248	C	C	.	.	H	α-helix	trans	-54.9	-43.3	171.8	-66	159.8	0	0	0	111.4	F182 C202 E203 R211 K212 V213 V216 L247	F182-I207 HydrophobicContact CB-CG1 4.24Å; F182-I207 HydrophobicContact CD2-CD1 4.49Å; F182-I207 HydrophobicContact CD2-CG1 3.68Å; F182-I207 HydrophobicContact CE2-CG1 4.45Å; F182-I207 HydrophobicContact CG-CG1 4.18Å; C202-I207 HydrophobicContact CB-CD1 3.63Å; C202-I207 HydrophobicContact CB-CG1 4.41Å; E203-I207 WeakPolarHBondContact O-CD1 3.43Å; E203-I207 VanDerWaalsContact O-CG1 3.23Å; E203-I207 WeakPolarHBondContact O-CG1 3.01Å; E203-I207 PolarHBondContact O-N 3.5Å; I207-R211 PolarHBondContact O-N 2.89Å; I207-K212 HydrophobicContact CG2-CB 4.18Å; I207-K212 PolarHBondContact O-N 2.75Å; I207-V213 HydrophobicContact CG2-CB 4.4Å; I207-V213 HydrophobicContact CG2-CG2 3.81Å; I207-V216 HydrophobicContact CD1-CG2 4.05Å; I207-V216 HydrophobicContact CG1-CG2 4.11Å; I207-V216 HydrophobicContact CG2-CG2 4.03Å; I207-L247 HydrophobicContact CD1-CD1 3.91Å
208	R	91	Very high	90.9	Very high	139 Å²	139	59.1 Å²	59.1	53%	0.525	26%	0.259	S	S	.	.	H	α-helix	trans	-68.4	-48.2	178.7	-74.3	173.6	179	-175.4	1.1	111.4	K204 Q205 L206 E210 R211 V213	K204-R208 VanDerWaalsContact O-CG 3.29Å; K204-R208 WeakPolarHBondContact O-CG 3.37Å; K204-R208 PolarHBondContact O-N 3.21Å; Q205-R208 PolarHBondContact O-N 3.45Å; L206-R208 VanDerWaalsContact C-N 3.28Å; L206-R208 PolarHBondContact O-N 3.39Å; R208-E210 PolarHBondContact O-N 2.93Å; R208-R211 PolarHBondContact O-N 3.46Å; R208-R211 VanDerWaalsContact O-N 3.11Å; R208-V213 HydrophobicContact CG-CG2 4.31Å
209	R	89.6	Confident	90.8	Very high	196 Å²	196	59 Å²	59	74%	0.74	26%	0.257	S	S	*	.	H	α-helix	trans	-56.4	-48.8	178.4	-179.1	-178.7	172.8	169.3	0.3	112.1	Q205 L206 R211	Q205-R209 WeakPolarHBondContact O-CB 3.42Å; Q205-R209 PolarHBondContact O-N 3.17Å; L206-R209 PolarHBondContact O-N 2.84Å; R209-R211 PolarHBondContact O-N 2.9Å
210	E	85.6	Confident	90.7	Very high	90 Å²	90	60 Å²	60	42%	0.421	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	5.3	-179.9	-60	-51.7	127.9	0	0	113.6	L206 R208 K212	L206-E210 HydrophobicContact CD1-CG 3.92Å; L206-E210 HydrophobicContact CG-CG 4.44Å; L206-E210 WeakPolarHBondContact O-CB 3.3Å; L206-E210 WeakPolarHBondContact O-CG 3.17Å; L206-E210 PolarHBondContact O-N 3.11Å; R208-E210 PolarHBondContact O-N 2.93Å; E210-K212 HydrophobicContact CB-CG 3.74Å; E210-K212 WeakPolarHBondContact O-CG 3.34Å; E210-K212 PolarHBondContact O-N 3.23Å; E210-K212 VanDerWaalsContact O-N 3.16Å
211	R	89.4	Confident	90.6	Very high	205 Å²	205	59.8 Å²	59.8	77%	0.774	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.3	30.3	-179.7	-55	178.9	178.4	-176	-3.5	113.6	I207 R208 R209 P214	I207-R211 PolarHBondContact O-N 2.89Å; R208-R211 PolarHBondContact O-N 3.46Å; R208-R211 VanDerWaalsContact O-N 3.11Å; R209-R211 PolarHBondContact O-N 2.9Å; R211-P214 WeakPolarHBondContact O-CD 3.17Å
212	K	87.8	Confident	90.7	Very high	35 Å²	35	59.4 Å²	59.4	15%	0.152	26%	0.259	C	S	.	.			trans	-86.3	0.7	-176.5	-60	-67	-178.5	172.3	0	114.3	F182 I207 E210 P214 Y215 V216 V345	F182-K212 HydrophobicContact CD1-CB 4.1Å; F182-K212 HydrophobicContact CD1-CD 4.39Å; F182-K212 HydrophobicContact CD1-CG 3.69Å; F182-K212 HydrophobicContact CE1-CB 3.95Å; F182-K212 HydrophobicContact CE1-CD 4.01Å; F182-K212 HydrophobicContact CE1-CG 3.69Å; F182-K212 HydrophobicContact CG-CG 4.49Å; F182-K212 HydrophobicContact CZ-CB 4.28Å; F182-K212 HydrophobicContact CZ-CG 4.49Å; I207-K212 HydrophobicContact CG2-CB 4.18Å; I207-K212 PolarHBondContact O-N 2.75Å; E210-K212 HydrophobicContact CB-CG 3.74Å; E210-K212 WeakPolarHBondContact O-CG 3.34Å; E210-K212 PolarHBondContact O-N 3.23Å; E210-K212 VanDerWaalsContact O-N 3.16Å; K212-P214 VanDerWaalsContact C-CD 3.43Å; K212-P214 VanDerWaalsContact C-N 3.31Å; K212-Y215 HydrophobicContact CD-CD2 4.13Å; K212-Y215 HydrophobicContact CD-CE2 4.46Å; K212-Y215 WeakPolarHBondContact O-CB 3.38Å; K212-Y215 PolarHBondContact O-N 2.99Å; K212-V216 PolarHBondContact O-N 3.06Å; K212-V345 VanDerWaalsContact NZ-CG2 3.34Å
213	V	90.6	Very high	90.8	Very high	29 Å²	29	59.5 Å²	59.5	18%	0.176	26%	0.259	C	S	.	.	H	α-helix	trans	-46.3	-46.3	178.1	179.8	0	0	0	0	113.1	L99 I207 R208 Y215 V216 M217	L99-V213 HydrophobicContact CD1-CB 4.38Å; L99-V213 HydrophobicContact CD1-CG1 3.61Å; L99-V213 HydrophobicContact CD1-CG2 3.82Å; L99-V213 HydrophobicContact CD2-CG1 4.11Å; L99-V213 HydrophobicContact CG-CG1 3.72Å; I207-V213 HydrophobicContact CG2-CB 4.4Å; I207-V213 HydrophobicContact CG2-CG2 3.81Å; R208-V213 HydrophobicContact CG-CG2 4.31Å; V213-Y215 VanDerWaalsContact C-N 3.25Å; V213-Y215 PolarHBondContact O-N 2.59Å; V213-V216 PolarHBondContact O-N 2.83Å; V213-M217 HydrophobicContact CG1-CG 4.28Å; V213-M217 WeakPolarHBondContact O-CG 3.41Å; V213-M217 PolarHBondContact O-N 2.83Å; V213-M217 VanDerWaalsContact O-N 3.09Å
214	P	90.3	Very high	90.9	Very high	64 Å²	64	57 Å²	57	42%	0.416	25%	0.251	S	S	.	.	H	α-helix	trans	-67.6	-21.6	180	-20.6	35	0	0	0	114.4	R211 K212 R218	R211-P214 WeakPolarHBondContact O-CD 3.17Å; K212-P214 VanDerWaalsContact C-CD 3.43Å; K212-P214 VanDerWaalsContact C-N 3.31Å; P214-R218 VanDerWaalsContact O-CB 3.25Å; P214-R218 WeakPolarHBondContact O-CB 3.49Å; P214-R218 PolarHBondContact O-N 2.57Å; P214-R218 PolarHBondContact O-NH1 2.88Å; P214-R218 PolarHBondContact O-NH2 3.02Å
215	Y	89.4	Confident	90.9	Very high	27 Å²	27	55.5 Å²	55.5	11%	0.106	24%	0.244	C	C	.	.	H	α-helix	trans	-77.8	-48.8	176.5	-69.5	-98.8	0	0	0	110.7	K212 V213 M217 R218 E219 G317 S343 V345	K212-Y215 HydrophobicContact CD-CD2 4.13Å; K212-Y215 HydrophobicContact CD-CE2 4.46Å; K212-Y215 WeakPolarHBondContact O-CB 3.38Å; K212-Y215 PolarHBondContact O-N 2.99Å; V213-Y215 VanDerWaalsContact C-N 3.25Å; V213-Y215 PolarHBondContact O-N 2.59Å; Y215-M217 VanDerWaalsContact C-N 3.35Å; Y215-M217 PolarHBondContact O-N 3.22Å; Y215-R218 PolarHBondContact O-N 2.93Å; Y215-R218 VanDerWaalsContact O-N 3.11Å; Y215-E219 PolarHBondContact O-N 3.27Å; Y215-G317 WeakPolarHBondContact CD1-O 3.37Å; Y215-S343 WeakPolarHBondContact OH-CB 3.17Å; Y215-S343 PolarHBondContact OH-O 3.03Å; Y215-S343 PolarHBondContact OH-OG 3.46Å; Y215-V345 HydrophobicContact CE1-CG2 4.35Å
216	V	92.2	Very high	91	Very high	1 Å²	1	48 Å²	48	1%	0.006	21%	0.209	C	C	.	.	H	α-helix	trans	-63.7	-40.2	179.8	-178.9	0	0	0	0	111.7	F182 I207 K212 V213 R218 K220 L247 F249	F182-V216 HydrophobicContact CD2-CG2 4.28Å; F182-V216 HydrophobicContact CE2-CG2 3.61Å; F182-V216 HydrophobicContact CZ-CG2 4.26Å; I207-V216 HydrophobicContact CD1-CG2 4.05Å; I207-V216 HydrophobicContact CG1-CG2 4.11Å; I207-V216 HydrophobicContact CG2-CG2 4.03Å; K212-V216 PolarHBondContact O-N 3.06Å; V213-V216 PolarHBondContact O-N 2.83Å; V216-R218 VanDerWaalsContact C-N 3.33Å; V216-R218 PolarHBondContact O-N 3.19Å; V216-K220 PolarHBondContact O-N 3.42Å; V216-K220 VanDerWaalsContact O-N 3.14Å; V216-L247 HydrophobicContact CG1-CD1 3.84Å; V216-F249 HydrophobicContact CG1-CE2 3.93Å; V216-F249 HydrophobicContact CG1-CZ 3.77Å
217	M	91.3	Very high	91.4	Very high	11 Å²	11	48.2 Å²	48.2	5%	0.054	21%	0.211	C	C	.	.	H	α-helix	trans	-64.6	-37.5	174	-69.4	-58.1	-62.6	0	0	112.1	L99 D102 V213 Y215 D221	L99-M217 HydrophobicContact CD2-SD 4.08Å; D102-M217 HydrophobicContact CB-CE 3.8Å; D102-M217 WeakPolarHBondContact OD2-CE 3.21Å; V213-M217 HydrophobicContact CG1-CG 4.28Å; V213-M217 WeakPolarHBondContact O-CG 3.41Å; V213-M217 PolarHBondContact O-N 2.83Å; V213-M217 VanDerWaalsContact O-N 3.09Å; Y215-M217 VanDerWaalsContact C-N 3.35Å; Y215-M217 PolarHBondContact O-N 3.22Å; M217-D221 PolarHBondContact O-N 3Å
218	R	91.9	Very high	91.5	Very high	62 Å²	62	54.7 Å²	54.7	23%	0.234	24%	0.235	C	C	.	.	H	α-helix	trans	-72.1	-39.1	178.9	-169.4	-179.9	-48.4	101.9	2.7	112.9	P214 Y215 V216 K220 D221 A222 G317 A319	P214-R218 VanDerWaalsContact O-CB 3.25Å; P214-R218 WeakPolarHBondContact O-CB 3.49Å; P214-R218 PolarHBondContact O-N 2.57Å; P214-R218 PolarHBondContact O-NH1 2.88Å; P214-R218 PolarHBondContact O-NH2 3.02Å; Y215-R218 PolarHBondContact O-N 2.93Å; Y215-R218 VanDerWaalsContact O-N 3.11Å; V216-R218 VanDerWaalsContact C-N 3.33Å; V216-R218 PolarHBondContact O-N 3.19Å; R218-K220 VanDerWaalsContact C-N 3.32Å; R218-D221 PolarHBondContact O-N 3.25Å; R218-A222 VanDerWaalsContact O-CB 3.31Å; R218-A222 WeakPolarHBondContact O-CB 3.05Å; R218-A222 PolarHBondContact O-N 2.86Å; R218-G317 PolarHBondContact NH1-O 3.16Å; R218-A319 WeakPolarHBondContact CD-O 3.46Å
219	E	93.9	Very high	91.6	Very high	6 Å²	6	53 Å²	53	3%	0.028	23%	0.233	C	C	.	.	H	α-helix	trans	-56.5	-49.6	172.6	-170.7	173.6	-167.1	0	0	110	K200 Y215 D221 A222 M223 F316	K200-E219 IonicContact NZ-OE1 3.78Å; K200-E219 PolarHBondContact NZ-OE1 3.34Å; K200-E219 IonicContact NZ-OE2 2.65Å; K200-E219 PolarHBondContact NZ-OE2 3.04Å; Y215-E219 PolarHBondContact O-N 3.27Å; E219-D221 PolarHBondContact O-N 3.12Å; E219-A222 PolarHBondContact O-N 3.37Å; E219-M223 HydrophobicContact CG-SD 4.12Å; E219-M223 WeakPolarHBondContact O-CB 3.34Å; E219-M223 VanDerWaalsContact O-CG 3.26Å; E219-M223 WeakPolarHBondContact O-CG 3.5Å; E219-M223 PolarHBondContact O-N 3Å; E219-F316 HydrophobicContact CG-CB 4.4Å
220	K	92.9	Very high	91.8	Very high	22 Å²	22	47.6 Å²	47.6	10%	0.096	22%	0.223	C	C	.	.	H	α-helix	trans	-57.1	-50.2	174.5	-173.5	-171.7	169.7	-167	0	112.7	D102 F103 V216 R218 M223 T224 F249	D102-K220 PolarHBondContact O-NZ 2.91Å; F103-K220 HydrophobicContact CE2-CD 4.16Å; V216-K220 PolarHBondContact O-N 3.42Å; V216-K220 VanDerWaalsContact O-N 3.14Å; R218-K220 VanDerWaalsContact C-N 3.32Å; K220-M223 PolarHBondContact O-N 3.26Å; K220-T224 VanDerWaalsContact O-CB 3.3Å; K220-T224 WeakPolarHBondContact O-CB 3.28Å; K220-T224 PolarHBondContact O-N 3.04Å; K220-T224 PolarHBondContact O-OG1 3.13Å; K220-F249 HydrophobicContact CB-CE1 3.76Å; K220-F249 HydrophobicContact CB-CZ 4.19Å; K220-F249 HydrophobicContact CG-CE1 4.26Å
221	D	93.3	Very high	92.3	Very high	14 Å²	14	45.3 Å²	45.3	8%	0.075	21%	0.212	C	C	.	.	H	α-helix	trans	-63.1	-44.8	-177.3	-70.4	-19.8	0	0	0	111.4	M217 R218 E219 T224 I225 I321 I327 R330	M217-D221 PolarHBondContact O-N 3Å; R218-D221 PolarHBondContact O-N 3.25Å; E219-D221 PolarHBondContact O-N 3.12Å; D221-T224 WeakPolarHBondContact O-CB 3.15Å; D221-T224 PolarHBondContact O-N 2.96Å; D221-I225 WeakPolarHBondContact O-CG1 3.15Å; D221-I225 PolarHBondContact O-N 2.83Å; D221-I321 HydrophobicContact CB-CD1 3.7Å; D221-I327 HydrophobicContact CB-CD1 3.98Å; D221-I327 HydrophobicContact CB-CG1 4.45Å; D221-R330 IonicContact OD2-CZ 3.18Å; D221-R330 IonicContact OD2-NE 2.91Å; D221-R330 PolarHBondContact OD2-NE 2.75Å; D221-R330 IonicContact OD2-NH2 2.67Å; D221-R330 PolarHBondContact OD2-NH2 3.34Å
222	A	94.1	Very high	92.6	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-63.2	-48.6	177.9	0	0	0	0	0	111.6	R218 E219 T224 I225 L226 I293 F316 A319 I321	R218-A222 VanDerWaalsContact O-CB 3.31Å; R218-A222 WeakPolarHBondContact O-CB 3.05Å; R218-A222 PolarHBondContact O-N 2.86Å; E219-A222 PolarHBondContact O-N 3.37Å; A222-T224 VanDerWaalsContact C-N 3.26Å; A222-T224 PolarHBondContact O-N 3.36Å; A222-I225 PolarHBondContact O-N 3.5Å; A222-L226 WeakPolarHBondContact O-CG 3.47Å; A222-L226 PolarHBondContact O-N 3.25Å; A222-I293 HydrophobicContact CB-CD1 4.17Å; A222-F316 HydrophobicContact CB-CB 3.81Å; A222-F316 HydrophobicContact CB-CG 4.32Å; A222-A319 HydrophobicContact CB-CB 4.46Å; A222-I321 HydrophobicContact CB-CD1 4.39Å
223	M	94.4	Very high	93.1	Very high	3 Å²	3	37.2 Å²	37.2	2%	0.015	19%	0.19	C	C	.	.	H	α-helix	trans	-63.6	-30.4	175.9	-68	-177.6	101	0	0	112.8	E219 K220 L226 N227 V235 L237 M251 F316	E219-M223 HydrophobicContact CG-SD 4.12Å; E219-M223 WeakPolarHBondContact O-CB 3.34Å; E219-M223 VanDerWaalsContact O-CG 3.26Å; E219-M223 WeakPolarHBondContact O-CG 3.5Å; E219-M223 PolarHBondContact O-N 3Å; K220-M223 PolarHBondContact O-N 3.26Å; M223-L226 PolarHBondContact O-N 3.36Å; M223-N227 WeakPolarHBondContact O-CB 3.36Å; M223-N227 PolarHBondContact O-N 2.83Å; M223-V235 HydrophobicContact CE-CG1 3.68Å; M223-L237 HydrophobicContact CB-CB 3.98Å; M223-L237 HydrophobicContact CB-CD2 3.76Å; M223-L237 HydrophobicContact CB-CG 4.44Å; M223-L237 HydrophobicContact CE-CB 4.01Å; M223-L237 HydrophobicContact CE-CD1 4.31Å; M223-L237 HydrophobicContact SD-CB 4.39Å; M223-L237 HydrophobicContact SD-CD1 4.24Å; M223-M251 HydrophobicContact CE-CB 4.24Å; M223-M251 HydrophobicContact CE-CE 4.19Å; M223-M251 HydrophobicContact CE-SD 4.23Å; M223-F316 HydrophobicContact CG-CD2 3.85Å
224	T	92.3	Very high	93.5	Very high	44 Å²	44	36.2 Å²	36.2	27%	0.27	18%	0.184	S	C	.	.	H	α-helix	trans	-69	-36.7	175.2	-59.8	0	0	0	0	111.8	K220 D221 A222	K220-T224 VanDerWaalsContact O-CB 3.3Å; K220-T224 WeakPolarHBondContact O-CB 3.28Å; K220-T224 PolarHBondContact O-N 3.04Å; K220-T224 PolarHBondContact O-OG1 3.13Å; D221-T224 WeakPolarHBondContact O-CB 3.15Å; D221-T224 PolarHBondContact O-N 2.96Å; A222-T224 VanDerWaalsContact C-N 3.26Å; A222-T224 PolarHBondContact O-N 3.36Å
225	I	92.5	Very high	93.8	Very high	4 Å²	4	33.3 Å²	33.3	2%	0.021	17%	0.165	C	C	.	.	H	α-helix	trans	-67	-47.8	171.7	-67.1	165.9	0	0	0	110	D221 A222 N227 R228 V291 I293 I321 I327	D221-I225 WeakPolarHBondContact O-CG1 3.15Å; D221-I225 PolarHBondContact O-N 2.83Å; A222-I225 PolarHBondContact O-N 3.5Å; I225-N227 VanDerWaalsContact C-N 3.29Å; I225-N227 PolarHBondContact O-N 2.86Å; I225-R228 WeakPolarHBondContact O-CB 3.43Å; I225-R228 PolarHBondContact O-N 3.11Å; I225-V291 HydrophobicContact CG2-CB 4.23Å; I225-V291 HydrophobicContact CG2-CG2 4.32Å; I225-I293 HydrophobicContact CB-CD1 4.1Å; I225-I293 HydrophobicContact CG2-CD1 3.97Å; I225-I321 HydrophobicContact CD1-CD1 4.05Å; I225-I321 HydrophobicContact CD1-CG1 4.34Å; I225-I321 HydrophobicContact CD1-CG2 3.75Å; I225-I327 HydrophobicContact CD1-CG1 4.05Å
226	L	94.3	Very high	94.1	Very high	6 Å²	6	38.2 Å²	38.2	3%	0.031	18%	0.183	C	C	.	.	H	α-helix	trans	-61.5	-35.5	-179.9	-67.7	164.4	0	0	0	112.7	A222 M223 R228 H229 V234 L288 V291 I293 F316	A222-L226 WeakPolarHBondContact O-CG 3.47Å; A222-L226 PolarHBondContact O-N 3.25Å; M223-L226 PolarHBondContact O-N 3.36Å; L226-R228 PolarHBondContact O-N 3.23Å; L226-R228 VanDerWaalsContact O-N 3.17Å; L226-H229 CarbonylContact O-C 3.57Å; L226-H229 PolarHBondContact O-N 2.97Å; L226-H229 VanDerWaalsContact O-O 3.11Å; L226-V234 HydrophobicContact CD1-CG1 3.96Å; L226-V234 HydrophobicContact CD2-CG1 4.32Å; L226-L288 HydrophobicContact CD1-CD2 4.03Å; L226-L288 HydrophobicContact CD2-CD2 3.45Å; L226-L288 VanDerWaalsContact CD2-CD2 3.45Å; L226-L288 HydrophobicContact CG-CD2 4.37Å; L226-V291 HydrophobicContact CD2-CG2 3.87Å; L226-I293 HydrophobicContact CD1-CD1 4.11Å; L226-I293 HydrophobicContact CD2-CD1 3.98Å; L226-I293 HydrophobicContact CG-CD1 3.71Å; L226-F316 HydrophobicContact CD1-CD1 4.1Å; L226-F316 HydrophobicContact CD1-CD2 4.18Å; L226-F316 HydrophobicContact CD1-CE1 3.74Å; L226-F316 HydrophobicContact CD1-CE2 3.83Å; L226-F316 HydrophobicContact CD1-CG 4.32Å; L226-F316 HydrophobicContact CD1-CZ 3.62Å
227	N	92.9	Very high	94.3	Very high	52 Å²	52	38.5 Å²	38.5	28%	0.278	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-23.7	173.7	-91	0.5	0	0	0	114.9	M223 I225 H229 L237	M223-N227 WeakPolarHBondContact O-CB 3.36Å; M223-N227 PolarHBondContact O-N 2.83Å; I225-N227 VanDerWaalsContact C-N 3.29Å; I225-N227 PolarHBondContact O-N 2.86Å; N227-H229 VanDerWaalsContact C-N 3.35Å; N227-L237 PolarHBondContact ND2-O 3.08Å; N227-L237 PolarHBondContact OD1-N 3.45Å; N227-L237 VanDerWaalsContact OD1-N 3.09Å; N227-L237 PolarHBondContact OD1-O 2.86Å
228	R	91.8	Very high	94.4	Very high	138 Å²	138	40.8 Å²	40.8	52%	0.521	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-20.5	176.5	-65.1	166	149.5	-152.9	-23.7	112.3	I225 L226 L326	I225-R228 WeakPolarHBondContact O-CB 3.43Å; I225-R228 PolarHBondContact O-N 3.11Å; L226-R228 PolarHBondContact O-N 3.23Å; L226-R228 VanDerWaalsContact O-N 3.17Å; R228-L326 PolarHBondContact NH1-O 3.31Å
229	H	92.6	Very high	94.4	Very high	105 Å²	105	39.5 Å²	39.5	49%	0.486	19%	0.194	S	C	.	.	S	Bend	trans	-131.2	66.7	177.8	-53.8	-73.4	0	0	0	109.3	L226 N227 H231 H287 V291	L226-H229 CarbonylContact O-C 3.57Å; L226-H229 PolarHBondContact O-N 2.97Å; L226-H229 VanDerWaalsContact O-O 3.11Å; N227-H229 VanDerWaalsContact C-N 3.35Å; H229-H231 PolarHBondContact O-N 3.01Å; H229-H287 PolarHBondContact O-CE1 3.23Å; H229-H287 PolarHBondContact O-NE2 3.29Å; H229-H287 VanDerWaalsContact O-NE2 3.15Å; H229-V291 HydrophobicContact CB-CG1 3.92Å
230	P	94.2	Very high	94.4	Very high	81 Å²	81	40.8 Å²	40.8	53%	0.526	20%	0.203	S	C	.	.			trans	-58.1	141.7	-174.7	-23.5	34.4	0	0	0	112.4
231	H	96.3	Very high	94.5	Very high	42 Å²	42	40.2 Å²	40.2	19%	0.194	20%	0.2	C	C	.	.			trans	-134.4	137.1	-178.2	-170.6	-96.5	0	0	0	110.5	H229 F233 V234 H287	H229-H231 PolarHBondContact O-N 3.01Å; H231-F233 AromaticContact CE1-CD2 3.78Å; H231-F233 PolarHBondContact ND1-N 3.43Å; H231-F233 PolarHBondContact O-N 3.31Å; H231-V234 HydrophobicContact CB-CB 4.31Å; H231-V234 HydrophobicContact CB-CG2 4.21Å; H231-V234 PolarHBondContact O-N 3.39Å; H231-H287 AromaticContact CD2-CG 3.6Å; H231-H287 AromaticContact CD2-ND1 3.72Å; H231-H287 AromaticContact CG-CD2 3.88Å; H231-H287 AromaticContact CG-CG 3.56Å; H231-H287 AromaticContact CG-ND1 3.94Å
232	P	96.6	Very high	94.5	Very high	69 Å²	69	41.7 Å²	41.7	45%	0.448	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-28.1	-174	22.8	-34.6	0	0	0	114.1	L312 P453	P232-L312 VanDerWaalsContact O-CD2 3.24Å; P232-L312 WeakPolarHBondContact O-CD2 3.08Å; P232-P453 HydrophobicContact CB-CB 4.08Å; P232-P453 HydrophobicContact CG-CB 3.71Å; P232-P453 HydrophobicContact CG-CG 3.86Å
233	F	98.2	Very high	94.3	Very high	1 Å²	1	44.2 Å²	44.2	0%	0.004	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	16.1	-176.9	-57.8	-33.2	0	0	0	114.7	H231 E280 V283 A284 H310 I311 V313 L452 P453	H231-F233 AromaticContact CE1-CD2 3.78Å; H231-F233 PolarHBondContact ND1-N 3.43Å; H231-F233 PolarHBondContact O-N 3.31Å; F233-E280 HydrophobicContact CD2-CB 4.03Å; F233-E280 HydrophobicContact CD2-CG 4.48Å; F233-E280 HydrophobicContact CE1-CB 4.45Å; F233-E280 HydrophobicContact CE1-CG 4.1Å; F233-E280 WeakPolarHBondContact CE1-OE1 3.21Å; F233-E280 HydrophobicContact CE2-CB 3.93Å; F233-E280 HydrophobicContact CE2-CG 3.92Å; F233-E280 HydrophobicContact CG-CB 4.36Å; F233-E280 HydrophobicContact CZ-CB 4.14Å; F233-E280 HydrophobicContact CZ-CG 3.69Å; F233-E280 VanDerWaalsContact CZ-OE1 3.25Å; F233-E280 WeakPolarHBondContact CZ-OE1 3.36Å; F233-V283 HydrophobicContact CD2-CB 4.16Å; F233-V283 HydrophobicContact CD2-CG1 4.17Å; F233-V283 HydrophobicContact CE2-CB 4.25Å; F233-V283 HydrophobicContact CE2-CG1 4.26Å; F233-A284 HydrophobicContact CB-CB 3.9Å; F233-H310 HydrophobicContact CD1-CB 4.49Å; F233-H310 HydrophobicContact CE1-CB 4.17Å; F233-H310 AromaticContact CE1-ND1 3.81Å; F233-I311 WeakPolarHBondContact CA-O 3.1Å; F233-I311 HydrophobicContact CB-CD1 4.12Å; F233-I311 HydrophobicContact CB-CG1 3.76Å; F233-I311 HydrophobicContact CD1-CG1 4.09Å; F233-I311 HydrophobicContact CG-CG1 4.02Å; F233-V313 PolarHBondContact O-N 3Å; F233-L452 HydrophobicContact CE2-CD2 4.22Å; F233-L452 HydrophobicContact CE2-CG 4.29Å; F233-L452 HydrophobicContact CZ-CG 4.15Å; F233-P453 HydrophobicContact CE1-CB 4.28Å; F233-P453 HydrophobicContact CE2-CG 4.06Å; F233-P453 HydrophobicContact CZ-CB 3.97Å; F233-P453 HydrophobicContact CZ-CG 3.85Å
234	V	98.1	Very high	94.1	Very high	8 Å²	8	53.1 Å²	53.1	5%	0.048	26%	0.262	C	S	.	.	B	Isolated β-bridge	trans	-131.2	135.7	-177.5	176.3	0	0	0	0	110.1	L226 H231 R236 A284 L288 F316	L226-V234 HydrophobicContact CD1-CG1 3.96Å; L226-V234 HydrophobicContact CD2-CG1 4.32Å; H231-V234 HydrophobicContact CB-CB 4.31Å; H231-V234 HydrophobicContact CB-CG2 4.21Å; H231-V234 PolarHBondContact O-N 3.39Å; V234-R236 PolarHBondContact O-N 3.47Å; V234-A284 HydrophobicContact CG2-CB 4.23Å; V234-L288 HydrophobicContact CG1-CD2 4.39Å; V234-L288 HydrophobicContact CG2-CD2 4.2Å; V234-F316 HydrophobicContact CG1-CE2 4.2Å; V234-F316 HydrophobicContact CG1-CZ 3.78Å
235	V	97.2	Very high	94.1	Very high	4 Å²	4	52.6 Å²	52.6	2%	0.024	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-57.2	123.8	177.2	168.8	0	0	0	0	110.6	M223 M251 S252 L304 L312 V313	M223-V235 HydrophobicContact CE-CG1 3.68Å; V235-M251 HydrophobicContact CG1-CB 3.74Å; V235-M251 HydrophobicContact CG1-CG 3.9Å; V235-M251 HydrophobicContact CG1-SD 3.75Å; V235-S252 WeakPolarHBondContact CA-OG 3.33Å; V235-L304 HydrophobicContact CG2-CD1 4.42Å; V235-L312 HydrophobicContact CG2-CB 3.76Å; V235-L312 HydrophobicContact CG2-CD1 4.5Å; V235-V313 WeakPolarHBondContact CB-O 3.4Å; V235-V313 WeakPolarHBondContact CG2-O 3.15Å; V235-V313 PolarHBondContact N-O 3.3Å
236	R	95.7	Very high	94.1	Very high	129 Å²	129	54.7 Å²	54.7	49%	0.487	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-91.4	134.1	177.2	-174.9	176.9	178.3	-171.8	0.8	110.5	V234 F238 M251 S252	V234-R236 PolarHBondContact O-N 3.47Å; R236-F238 HydrophobicContact CG-CD1 4.48Å; R236-F238 HydrophobicContact CG-CE1 4.33Å; R236-M251 CarbonylContact O-C 3.11Å; R236-M251 WeakPolarHBondContact O-CA 3.35Å; R236-M251 VanDerWaalsContact O-CB 3.27Å; R236-M251 WeakPolarHBondContact O-CB 3.38Å; R236-S252 PolarHBondContact N-OG 2.8Å; R236-S252 PolarHBondContact O-N 2.7Å
237	L	95.3	Very high	94.1	Very high	7 Å²	7	54.5 Å²	54.5	4%	0.037	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	124.5	171.3	-179.7	70.7	0	0	0	108.9	M223 N227 T240 F249	M223-L237 HydrophobicContact CB-CB 3.98Å; M223-L237 HydrophobicContact CB-CD2 3.76Å; M223-L237 HydrophobicContact CB-CG 4.44Å; M223-L237 HydrophobicContact CE-CB 4.01Å; M223-L237 HydrophobicContact CE-CD1 4.31Å; M223-L237 HydrophobicContact SD-CB 4.39Å; M223-L237 HydrophobicContact SD-CD1 4.24Å; N227-L237 PolarHBondContact ND2-O 3.08Å; N227-L237 PolarHBondContact OD1-N 3.45Å; N227-L237 VanDerWaalsContact OD1-N 3.09Å; N227-L237 PolarHBondContact OD1-O 2.86Å; L237-T240 HydrophobicContact CD1-CG2 3.86Å; L237-T240 HydrophobicContact CD2-CG2 3.9Å; L237-T240 HydrophobicContact CG-CG2 4.3Å; L237-F249 HydrophobicContact CD1-CB 4.03Å; L237-F249 HydrophobicContact CD1-CD1 4.03Å
238	F	93.3	Very high	94.3	Very high	60 Å²	60	52 Å²	52	26%	0.263	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	-48.7	175.3	-61.1	-50.3	0	0	0	111.3	C197 R236 V250 M251	C197-F238 HydrophobicContact CB-CD2 4.39Å; C197-F238 HydrophobicContact CB-CE2 4.42Å; R236-F238 HydrophobicContact CG-CD1 4.48Å; R236-F238 HydrophobicContact CG-CE1 4.33Å; F238-V250 HydrophobicContact CB-CG1 4.36Å; F238-V250 HydrophobicContact CD2-CG1 4.24Å; F238-V250 PolarHBondContact N-O 2.78Å; F238-M251 VanDerWaalsContact CE2-C 3.47Å; F238-M251 WeakPolarHBondContact CE2-O 3.37Å
239	C	93	Very high	94.5	Very high	34 Å²	34	45.5 Å²	45.5	23%	0.23	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	168.8	175.1	66.7	0	0	0	0	111.8	V250	C239-V250 PolarHBondContact N-O 3.44Å; C239-V250 PolarHBondContact O-N 3.47Å; C239-V250 VanDerWaalsContact SG-CG2 3.58Å
240	T	94	Very high	94.6	Very high	33 Å²	33	40.6 Å²	40.6	20%	0.202	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	138.5	167.7	57.8	0	0	0	0	110	L237 Y248 F249	L237-T240 HydrophobicContact CD1-CG2 3.86Å; L237-T240 HydrophobicContact CD2-CG2 3.9Å; L237-T240 HydrophobicContact CG-CG2 4.3Å; T240-Y248 WeakPolarHBondContact CA-O 3.19Å; T240-F249 HydrophobicContact CG2-CD1 3.63Å; T240-F249 HydrophobicContact CG2-CE1 4.03Å; T240-F249 HydrophobicContact CG2-CG 4.09Å
241	F	94.3	Very high	94.7	Very high	11 Å²	11	37.7 Å²	37.7	5%	0.048	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	173.2	173.7	58.3	-93.3	0	0	0	111.2	F103 C166 G167 P168 F171 Y248 V250	F103-F241 VanDerWaalsContact CE1-O 3.32Å; F103-F241 WeakPolarHBondContact CE1-O 3.45Å; C166-F241 WeakPolarHBondContact O-CB 3.33Å; C166-F241 WeakPolarHBondContact O-CG 3.48Å; G167-F241 VanDerWaalsContact C-CE2 3.5Å; P168-F241 HydrophobicContact CB-CE2 4.47Å; P168-F241 HydrophobicContact CG-CE2 3.89Å; F171-F241 AromaticContact CD2-CE1 3.95Å; F171-F241 HydrophobicContact CD2-CE1 3.95Å; F171-F241 AromaticContact CD2-CZ 3.9Å; F171-F241 HydrophobicContact CD2-CZ 3.9Å; F171-F241 HydrophobicContact CE2-CD1 4.38Å; F171-F241 AromaticContact CE2-CE1 3.41Å; F171-F241 HydrophobicContact CE2-CE1 3.41Å; F171-F241 VanDerWaalsContact CE2-CE1 3.41Å; F171-F241 AromaticContact CE2-CZ 3.84Å; F171-F241 HydrophobicContact CE2-CZ 3.84Å; F171-F241 HydrophobicContact CZ-CE1 4.21Å; F241-Y248 HydrophobicContact CD2-CD1 4.48Å; F241-Y248 AromaticContact CD2-CD2 3.46Å; F241-Y248 HydrophobicContact CD2-CD2 3.46Å; F241-Y248 VanDerWaalsContact CD2-CD2 3.46Å; F241-Y248 HydrophobicContact CD2-CE2 4.21Å; F241-Y248 AromaticContact CD2-CG 3.63Å; F241-Y248 HydrophobicContact CD2-CG 3.63Å; F241-Y248 HydrophobicContact CE1-CG 4.5Å; F241-Y248 AromaticContact CE2-CD1 3.59Å; F241-Y248 HydrophobicContact CE2-CD1 3.59Å; F241-Y248 AromaticContact CE2-CD2 3.35Å; F241-Y248 HydrophobicContact CE2-CD2 3.35Å; F241-Y248 HydrophobicContact CE2-CE1 4.17Å; F241-Y248 AromaticContact CE2-CE2 3.95Å; F241-Y248 HydrophobicContact CE2-CE2 3.95Å; F241-Y248 AromaticContact CE2-CG 3.15Å; F241-Y248 HydrophobicContact CE2-CG 3.15Å; F241-Y248 HydrophobicContact CG-CD2 4.48Å; F241-Y248 HydrophobicContact CG-CG 4.47Å; F241-Y248 AromaticContact CZ-CD1 3.87Å; F241-Y248 HydrophobicContact CZ-CD1 3.87Å; F241-Y248 HydrophobicContact CZ-CD2 4.31Å; F241-Y248 AromaticContact CZ-CG 3.67Å; F241-Y248 HydrophobicContact CZ-CG 3.67Å; F241-Y248 PolarHBondContact N-O 3.26Å; F241-Y248 VanDerWaalsContact N-O 3.09Å; F241-Y248 PolarHBondContact O-N 2.86Å; F241-V250 HydrophobicContact CD1-CG2 4.35Å; F241-V250 HydrophobicContact CE1-CG2 3.57Å; F241-V250 HydrophobicContact CZ-CG2 4.38Å
242	Q	93.4	Very high	94.7	Very high	44 Å²	44	36.7 Å²	36.7	21%	0.206	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	149.7	-179	59.5	169.2	-15.1	0	0	111.4	F103 Y104 K204 R246 L247	F103-Q242 HydrophobicContact CB-CG 4.13Å; F103-Q242 VanDerWaalsContact CB-NE2 3.28Å; F103-Q242 HydrophobicContact CD1-CB 3.97Å; F103-Q242 HydrophobicContact CD1-CG 3.95Å; F103-Q242 HydrophobicContact CE1-CB 4.35Å; F103-Q242 HydrophobicContact CG-CG 4.28Å; Y104-Q242 VanDerWaalsContact CE2-NE2 3.29Å; K204-Q242 VanDerWaalsContact CE-OE1 3.24Å; Q242-R246 WeakPolarHBondContact CA-O 3.19Å; Q242-R246 WeakPolarHBondContact CB-O 3.42Å; Q242-L247 HydrophobicContact CB-CD2 3.69Å
243	D	90.8	Very high	94.6	Very high	53 Å²	53	34.3 Å²	34.3	28%	0.283	17%	0.171	S	C	.	.			trans	-110.5	-161.3	165.5	64.9	38.1	0	0	0	109.8	K204 G245 R246 Y248	K204-D243 PolarHBondContact NZ-O 3.37Å; D243-G245 PolarHBondContact OD1-N 3.33Å; D243-R246 PolarHBondContact N-O 3.13Å; D243-R246 VanDerWaalsContact N-O 3.14Å; D243-R246 PolarHBondContact OD1-N 2.81Å; D243-Y248 HydrophobicContact CB-CE2 4.4Å; D243-Y248 WeakPolarHBondContact OD2-CE2 3.38Å; D243-Y248 VanDerWaalsContact OD2-CZ 3.29Å; D243-Y248 PolarHBondContact OD2-OH 3.16Å
244	E	90.3	Very high	94.5	Very high	191 Å²	191	34.7 Å²	34.7	89%	0.893	18%	0.175	S	C	*	.	S	Bend	trans	-64	-40	178.1	-171.3	172.1	-177.2	0	0	113.2	K204	K204-E244 WeakPolarHBondContact CD-O 2.87Å
245	G	90.5	Very high	94.1	Very high	33 Å²	33	36.3 Å²	36.3	34%	0.34	18%	0.182	S	C	.	.	S	Bend	trans	-107.3	-20.5	-171.2	0	0	0	0	0	115.8	K204 D243	K204-G245 VanDerWaalsContact CB-O 3.28Å; K204-G245 WeakPolarHBondContact CB-O 3.37Å; K204-G245 WeakPolarHBondContact CG-O 3.35Å; K204-G245 PolarHBondContact N-O 2.95Å; D243-G245 PolarHBondContact OD1-N 3.33Å
246	R	92.8	Very high	93.8	Very high	48 Å²	48	37.5 Å²	37.5	18%	0.181	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	153.3	-166.8	-63.5	163	-175.7	146.4	1	112.6	V201 C202 K204 Q242 D243 Y248 F485 D487	V201-R246 HydrophobicContact CG1-CB 4.04Å; V201-R246 HydrophobicContact CG1-CG 4.05Å; C202-R246 CarbonylContact O-C 3.55Å; C202-R246 WeakPolarHBondContact O-CA 3.28Å; K204-R246 WeakPolarHBondContact CE-O 3.5Å; Q242-R246 WeakPolarHBondContact CA-O 3.19Å; Q242-R246 WeakPolarHBondContact CB-O 3.42Å; D243-R246 PolarHBondContact N-O 3.13Å; D243-R246 VanDerWaalsContact N-O 3.14Å; D243-R246 PolarHBondContact OD1-N 2.81Å; R246-Y248 HydrophobicContact CB-CD2 4.39Å; R246-Y248 HydrophobicContact CB-CE2 3.61Å; R246-Y248 VanDerWaalsContact CD-OH 3.27Å; R246-Y248 WeakPolarHBondContact CD-OH 3.34Å; R246-F485 PolarHBondContact NH1-O 3.46Å; R246-F485 VanDerWaalsContact NH1-O 3.08Å; R246-D487 IonicContact NH2-OD1 2.71Å
247	L	95.3	Very high	93.6	Very high	2 Å²	2	32.1 Å²	32.1	1%	0.01	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	141.9	167.1	-57.7	177.5	0	0	0	108.4	L99 F103 V201 C202 K204 I207 V216 Q242 F249	L99-L247 HydrophobicContact CD2-CD1 4.47Å; F103-L247 HydrophobicContact CD1-CD2 4.34Å; F103-L247 HydrophobicContact CD2-CD2 4.05Å; F103-L247 HydrophobicContact CE1-CD2 4.09Å; F103-L247 HydrophobicContact CE2-CD1 4.03Å; F103-L247 HydrophobicContact CE2-CD2 3.8Å; F103-L247 HydrophobicContact CE2-CG 4.36Å; F103-L247 HydrophobicContact CG-CD2 4.32Å; F103-L247 HydrophobicContact CZ-CB 4.05Å; F103-L247 HydrophobicContact CZ-CD1 4.29Å; F103-L247 HydrophobicContact CZ-CD2 3.83Å; F103-L247 HydrophobicContact CZ-CG 4.28Å; V201-L247 CarbonylContact C-O 3.41Å; V201-L247 WeakPolarHBondContact CA-O 3.49Å; C202-L247 HydrophobicContact CB-CB 4.39Å; C202-L247 PolarHBondContact N-O 2.95Å; C202-L247 PolarHBondContact O-N 2.94Å; K204-L247 HydrophobicContact CD-CD2 4.42Å; K204-L247 HydrophobicContact CG-CD2 4.21Å; K204-L247 HydrophobicContact CG-CG 3.99Å; I207-L247 HydrophobicContact CD1-CD1 3.91Å; V216-L247 HydrophobicContact CG1-CD1 3.84Å; Q242-L247 HydrophobicContact CB-CD2 3.69Å; L247-F249 HydrophobicContact CB-CE2 4.36Å
248	Y	96	Very high	93.5	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	131.2	-177.2	-59.2	-102	0	0	0	110.1	P168 F173 I199 K200 V201 T240 F241 D243 R246 F485	P168-Y248 HydrophobicContact CG-CE1 4.39Å; P168-Y248 HydrophobicContact CG-CE2 4.24Å; F173-Y248 HydrophobicContact CZ-CD1 4.27Å; F173-Y248 HydrophobicContact CZ-CE1 4.18Å; I199-Y248 HydrophobicContact CG2-CD1 4.13Å; K200-Y248 WeakPolarHBondContact O-CA 3.21Å; V201-Y248 HydrophobicContact CB-CD1 4.4Å; V201-Y248 HydrophobicContact CB-CE1 4.39Å; V201-Y248 HydrophobicContact CG1-CD1 4.16Å; V201-Y248 HydrophobicContact CG1-CE1 3.78Å; V201-Y248 HydrophobicContact CG2-CD1 3.72Å; V201-Y248 HydrophobicContact CG2-CE1 3.79Å; T240-Y248 WeakPolarHBondContact CA-O 3.19Å; F241-Y248 HydrophobicContact CD2-CD1 4.48Å; F241-Y248 AromaticContact CD2-CD2 3.46Å; F241-Y248 HydrophobicContact CD2-CD2 3.46Å; F241-Y248 VanDerWaalsContact CD2-CD2 3.46Å; F241-Y248 HydrophobicContact CD2-CE2 4.21Å; F241-Y248 AromaticContact CD2-CG 3.63Å; F241-Y248 HydrophobicContact CD2-CG 3.63Å; F241-Y248 HydrophobicContact CE1-CG 4.5Å; F241-Y248 AromaticContact CE2-CD1 3.59Å; F241-Y248 HydrophobicContact CE2-CD1 3.59Å; F241-Y248 AromaticContact CE2-CD2 3.35Å; F241-Y248 HydrophobicContact CE2-CD2 3.35Å; F241-Y248 HydrophobicContact CE2-CE1 4.17Å; F241-Y248 AromaticContact CE2-CE2 3.95Å; F241-Y248 HydrophobicContact CE2-CE2 3.95Å; F241-Y248 AromaticContact CE2-CG 3.15Å; F241-Y248 HydrophobicContact CE2-CG 3.15Å; F241-Y248 HydrophobicContact CG-CD2 4.48Å; F241-Y248 HydrophobicContact CG-CG 4.47Å; F241-Y248 AromaticContact CZ-CD1 3.87Å; F241-Y248 HydrophobicContact CZ-CD1 3.87Å; F241-Y248 HydrophobicContact CZ-CD2 4.31Å; F241-Y248 AromaticContact CZ-CG 3.67Å; F241-Y248 HydrophobicContact CZ-CG 3.67Å; F241-Y248 PolarHBondContact N-O 3.26Å; F241-Y248 VanDerWaalsContact N-O 3.09Å; F241-Y248 PolarHBondContact O-N 2.86Å; D243-Y248 HydrophobicContact CB-CE2 4.4Å; D243-Y248 WeakPolarHBondContact OD2-CE2 3.38Å; D243-Y248 VanDerWaalsContact OD2-CZ 3.29Å; D243-Y248 PolarHBondContact OD2-OH 3.16Å; R246-Y248 HydrophobicContact CB-CD2 4.39Å; R246-Y248 HydrophobicContact CB-CE2 3.61Å; R246-Y248 VanDerWaalsContact CD-OH 3.27Å; R246-Y248 WeakPolarHBondContact CD-OH 3.34Å; Y248-F485 HydrophobicContact CE1-CB 4.36Å; Y248-F485 HydrophobicContact CE1-CD1 4.1Å; Y248-F485 HydrophobicContact CE1-CG 4.34Å
249	F	95.9	Very high	93.6	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	112.6	171.9	-63.6	-112	0	0	0	108	F103 I199 K200 V216 K220 L237 T240 L247 M251	F103-F249 HydrophobicContact CZ-CE2 4.26Å; F103-F249 HydrophobicContact CZ-CZ 4.24Å; I199-F249 WeakPolarHBondContact CA-O 3.29Å; K200-F249 HydrophobicContact CB-CB 4.26Å; K200-F249 PolarHBondContact N-O 3.14Å; K200-F249 PolarHBondContact O-N 3.45Å; V216-F249 HydrophobicContact CG1-CE2 3.93Å; V216-F249 HydrophobicContact CG1-CZ 3.77Å; K220-F249 HydrophobicContact CB-CE1 3.76Å; K220-F249 HydrophobicContact CB-CZ 4.19Å; K220-F249 HydrophobicContact CG-CE1 4.26Å; L237-F249 HydrophobicContact CD1-CB 4.03Å; L237-F249 HydrophobicContact CD1-CD1 4.03Å; T240-F249 HydrophobicContact CG2-CD1 3.63Å; T240-F249 HydrophobicContact CG2-CE1 4.03Å; T240-F249 HydrophobicContact CG2-CG 4.09Å; L247-F249 HydrophobicContact CB-CE2 4.36Å; F249-M251 HydrophobicContact CB-CE 3.69Å
250	V	96.4	Very high	93.5	Very high	3 Å²	3	31.2 Å²	31.2	2%	0.018	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	122.4	177.8	-173.9	0	0	0	0	107.9	F171 C197 A198 I199 F238 C239 F241	F171-V250 HydrophobicContact CD1-CG1 4.39Å; F171-V250 HydrophobicContact CE1-CB 4.49Å; F171-V250 HydrophobicContact CE1-CG1 3.69Å; F171-V250 HydrophobicContact CE1-CG2 4.05Å; F171-V250 HydrophobicContact CE2-CG2 4.09Å; F171-V250 HydrophobicContact CZ-CB 4.45Å; F171-V250 HydrophobicContact CZ-CG1 4.11Å; F171-V250 HydrophobicContact CZ-CG2 3.76Å; C197-V250 HydrophobicContact CB-CG1 3.72Å; A198-V250 CarbonylContact O-C 3.56Å; A198-V250 WeakPolarHBondContact O-CA 3.4Å; I199-V250 HydrophobicContact CG1-CG1 4.44Å; I199-V250 HydrophobicContact CG1-CG2 4.38Å; I199-V250 HydrophobicContact CG2-CG2 4.33Å; F238-V250 HydrophobicContact CB-CG1 4.36Å; F238-V250 HydrophobicContact CD2-CG1 4.24Å; F238-V250 PolarHBondContact N-O 2.78Å; C239-V250 PolarHBondContact N-O 3.44Å; C239-V250 PolarHBondContact O-N 3.47Å; C239-V250 VanDerWaalsContact SG-CG2 3.58Å; F241-V250 HydrophobicContact CD1-CG2 4.35Å; F241-V250 HydrophobicContact CE1-CG2 3.57Å; F241-V250 HydrophobicContact CZ-CG2 4.38Å
251	M	96.2	Very high	93.2	Very high	20 Å²	20	32.5 Å²	32.5	10%	0.099	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	169.2	-170.5	67.5	-170.2	70.4	0	0	112.6	C197 A198 K200 M223 V235 R236 F238 F249 F253	C197-M251 WeakPolarHBondContact CA-O 3.38Å; A198-M251 HydrophobicContact CB-CG 3.73Å; A198-M251 PolarHBondContact N-O 2.84Å; A198-M251 PolarHBondContact O-N 3.4Å; K200-M251 HydrophobicContact CB-CE 3.73Å; K200-M251 HydrophobicContact CD-CE 4.37Å; M223-M251 HydrophobicContact CE-CB 4.24Å; M223-M251 HydrophobicContact CE-CE 4.19Å; M223-M251 HydrophobicContact CE-SD 4.23Å; V235-M251 HydrophobicContact CG1-CB 3.74Å; V235-M251 HydrophobicContact CG1-CG 3.9Å; V235-M251 HydrophobicContact CG1-SD 3.75Å; R236-M251 CarbonylContact O-C 3.11Å; R236-M251 WeakPolarHBondContact O-CA 3.35Å; R236-M251 VanDerWaalsContact O-CB 3.27Å; R236-M251 WeakPolarHBondContact O-CB 3.38Å; F238-M251 VanDerWaalsContact CE2-C 3.47Å; F238-M251 WeakPolarHBondContact CE2-O 3.37Å; F249-M251 HydrophobicContact CB-CE 3.69Å; M251-F253 PolarHBondContact O-N 3.09Å
252	S	95.7	Very high	93	Very high	20 Å²	20	34.1 Å²	34.1	14%	0.14	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.6	129.9	175	52.3	0	0	0	0	111.4	V235 R236	V235-S252 WeakPolarHBondContact CA-OG 3.33Å; R236-S252 PolarHBondContact N-OG 2.8Å; R236-S252 PolarHBondContact O-N 2.7Å
253	F	95.2	Very high	92.8	Very high	19 Å²	19	32.2 Å²	32.2	8%	0.083	17%	0.173	C	C	.	.			trans	-83.4	143.2	177.2	-173.1	-134.3	0	0	0	111.7	V177 A187 E196 A198 M251 Q255 F474	V177-F253 HydrophobicContact CG1-CE2 4.14Å; V177-F253 HydrophobicContact CG1-CZ 4.43Å; A187-F253 HydrophobicContact CB-CD2 4.38Å; A187-F253 HydrophobicContact CB-CE1 4.28Å; A187-F253 HydrophobicContact CB-CE2 3.75Å; A187-F253 HydrophobicContact CB-CZ 3.69Å; E196-F253 HydrophobicContact CB-CD1 4.34Å; A198-F253 HydrophobicContact CB-CD2 4.18Å; M251-F253 PolarHBondContact O-N 3.09Å; F253-Q255 HydrophobicContact CD1-CG 3.8Å; F253-Q255 HydrophobicContact CE1-CB 4.31Å; F253-Q255 HydrophobicContact CE1-CG 3.77Å; F253-Q255 PolarHBondContact O-OE1 3.18Å; F253-F474 AromaticContact CD1-CE2 3.68Å; F253-F474 HydrophobicContact CD1-CE2 3.68Å; F253-F474 AromaticContact CD1-CZ 3.73Å; F253-F474 HydrophobicContact CD1-CZ 3.73Å; F253-F474 AromaticContact CE1-CE2 3.44Å; F253-F474 HydrophobicContact CE1-CE2 3.44Å; F253-F474 VanDerWaalsContact CE1-CE2 3.44Å; F253-F474 AromaticContact CE1-CZ 3.47Å; F253-F474 HydrophobicContact CE1-CZ 3.47Å; F253-F474 VanDerWaalsContact CE1-CZ 3.47Å; F253-F474 HydrophobicContact CZ-CZ 4.24Å
254	A	94.4	Very high	92.4	Very high	10 Å²	10	36.2 Å²	36.2	8%	0.083	19%	0.188	C	C	.	.			trans	-118.2	95.1	177.4	0	0	0	0	0	109.2	N256 G257 L304 L305 L312	A254-N256 VanDerWaalsContact C-N 3.26Å; A254-N256 PolarHBondContact O-N 2.84Å; A254-G257 PolarHBondContact O-N 3.31Å; A254-L304 HydrophobicContact CB-CB 3.48Å; A254-L304 VanDerWaalsContact CB-CB 3.48Å; A254-L304 HydrophobicContact CB-CD1 4Å; A254-L304 HydrophobicContact CB-CG 4.37Å; A254-L305 CarbonylContact C-O 2.88Å; A254-L305 WeakPolarHBondContact CA-O 3.49Å; A254-L305 WeakPolarHBondContact CB-O 3.43Å; A254-L312 HydrophobicContact CB-CD1 4.27Å
255	Q	90.6	Very high	91.8	Very high	41 Å²	41	29.6 Å²	29.6	19%	0.192	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-29.1	-167.4	-66.8	77.4	2	0	0	113.5	E196 F253 L305 N307 Q471	E196-Q255 PolarHBondContact OE2-NE2 3.48Å; F253-Q255 HydrophobicContact CD1-CG 3.8Å; F253-Q255 HydrophobicContact CE1-CB 4.31Å; F253-Q255 HydrophobicContact CE1-CG 3.77Å; F253-Q255 PolarHBondContact O-OE1 3.18Å; Q255-L305 PolarHBondContact N-O 3.25Å; Q255-N307 HydrophobicContact CB-CB 4.12Å; Q255-N307 HydrophobicContact CG-CB 3.99Å; Q255-Q471 PolarHBondContact O-OE1 3.13Å
256	N	90.6	Very high	91.4	Very high	29 Å²	29	28.2 Å²	28.2	16%	0.155	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	2.7	-176.2	-75.9	-59.6	0	0	0	114	A254 W262 L305 T306 N307 M309 Q471	A254-N256 VanDerWaalsContact C-N 3.26Å; A254-N256 PolarHBondContact O-N 2.84Å; N256-W262 HydrophobicContact CB-CZ2 4.27Å; N256-W262 PolarHBondContact O-NE1 3.43Å; N256-L305 HydrophobicContact CB-CB 3.77Å; N256-L305 PolarHBondContact N-O 3.29Å; N256-T306 PolarHBondContact ND2-O 3.42Å; N256-N307 WeakPolarHBondContact ND2-CA 3.18Å; N256-N307 PolarHBondContact ND2-O 2.82Å; N256-M309 HydrophobicContact CB-SD 3.87Å; N256-M309 VanDerWaalsContact CG-SD 3.53Å; N256-M309 PolarHBondContact ND2-SD 2.86Å; N256-Q471 VanDerWaalsContact C-NE2 3.27Å; N256-Q471 PolarHBondContact O-NE2 2.95Å
257	G	91.4	Very high	90.7	Very high	16 Å²	16	26 Å²	26	17%	0.165	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	72.5	-157	172.6	0	0	0	0	0	114.3	A254 L304 L305	A254-G257 PolarHBondContact O-N 3.31Å; G257-L304 CarbonylContact O-C 3.41Å; G257-L304 WeakPolarHBondContact O-CA 3.17Å; G257-L305 PolarHBondContact O-N 3.49Å
258	E	93.5	Very high	90.3	Very high	70 Å²	70	26 Å²	26	33%	0.327	13%	0.133	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	140.8	-175.8	-54.7	167.8	-175.4	0	0	113.3	L260 S261 L304	E258-L260 PolarHBondContact O-N 3.13Å; E258-S261 WeakPolarHBondContact O-CB 3.39Å; E258-S261 PolarHBondContact O-N 3.07Å; E258-S261 PolarHBondContact OE2-OG 3.44Å; E258-L304 HydrophobicContact CG-CD2 4.09Å
259	L	95.1	Very high	90	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.005	14%	0.135	C	C	.	.	H	α-helix	trans	-58.6	-34.8	169.6	-171.2	67.3	0	0	0	111.5	S261 W262 L263 F269 Y277 I281 P300 V303 L305 M377	L259-S261 VanDerWaalsContact C-N 3.27Å; L259-S261 PolarHBondContact O-N 2.97Å; L259-W262 PolarHBondContact O-N 3.49Å; L259-L263 PolarHBondContact O-N 2.93Å; L259-F269 HydrophobicContact CD1-CE2 3.76Å; L259-F269 HydrophobicContact CD1-CZ 3.72Å; L259-F269 HydrophobicContact CG-CE2 4.17Å; L259-F269 HydrophobicContact CG-CZ 4.18Å; L259-Y277 HydrophobicContact CD1-CD2 4.37Å; L259-Y277 HydrophobicContact CD1-CG 4.39Å; L259-I281 HydrophobicContact CD2-CD1 4.49Å; L259-P300 HydrophobicContact CB-CB 4.44Å; L259-P300 PolarHBondContact N-O 2.76Å; L259-V303 HydrophobicContact CB-CB 4.14Å; L259-V303 HydrophobicContact CB-CG1 4.2Å; L259-V303 VanDerWaalsContact CB-O 3.32Å; L259-V303 WeakPolarHBondContact CB-O 3.26Å; L259-V303 HydrophobicContact CD2-CB 4.28Å; L259-V303 HydrophobicContact CD2-CG1 3.99Å; L259-V303 PolarHBondContact N-O 2.85Å; L259-L305 HydrophobicContact CD1-CD1 4.04Å; L259-L305 HydrophobicContact CD1-CD2 4.36Å; L259-L305 HydrophobicContact CD1-CG 4.45Å; L259-M377 HydrophobicContact CD2-SD 4.16Å
260	L	92.1	Very high	89.7	Confident	12 Å²	12	30.9 Å²	30.9	6%	0.063	16%	0.156	C	C	.	.	H	α-helix	trans	-59.3	-37.7	174.7	-173.3	60.1	0	0	0	112.5	E258 W262 L263 K264 P300 E301	E258-L260 PolarHBondContact O-N 3.13Å; L260-W262 VanDerWaalsContact C-N 3.32Å; L260-W262 PolarHBondContact O-N 3.48Å; L260-L263 PolarHBondContact O-N 3.45Å; L260-K264 HydrophobicContact CD1-CD 4.46Å; L260-K264 HydrophobicContact CD1-CG 4.19Å; L260-K264 HydrophobicContact CD2-CD 4.37Å; L260-K264 VanDerWaalsContact CD2-NZ 3.34Å; L260-K264 HydrophobicContact CG-CD 3.97Å; L260-K264 HydrophobicContact CG-CG 4.18Å; L260-K264 WeakPolarHBondContact O-CB 3.18Å; L260-K264 WeakPolarHBondContact O-CG 3.49Å; L260-K264 PolarHBondContact O-N 3.09Å; L260-P300 HydrophobicContact CB-CB 3.9Å; L260-P300 HydrophobicContact CD1-CB 4.29Å; L260-P300 PolarHBondContact N-O 3.13Å; L260-E301 HydrophobicContact CB-CG 4.48Å; L260-E301 HydrophobicContact CD2-CG 3.53Å
261	S	87.2	Confident	89.4	Confident	60 Å²	60	33.9 Å²	33.9	42%	0.42	17%	0.17	S	C	.	.	H	α-helix	trans	-65.7	-37.6	-179.8	-75.5	0	0	0	0	111.5	E258 L259 K265	E258-S261 WeakPolarHBondContact O-CB 3.39Å; E258-S261 PolarHBondContact O-N 3.07Å; E258-S261 PolarHBondContact OE2-OG 3.44Å; L259-S261 VanDerWaalsContact C-N 3.27Å; L259-S261 PolarHBondContact O-N 2.97Å; S261-K265 WeakPolarHBondContact O-CB 3.27Å; S261-K265 PolarHBondContact O-N 3.21Å
262	W	90.5	Very high	89.3	Confident	45 Å²	45	35.4 Å²	35.4	17%	0.17	18%	0.182	C	C	.	.	H	α-helix	trans	-67.6	-45.3	170.6	-69.7	84.7	0	0	0	111.7	N256 L259 L260 K264 K265 L266 F269 L305 M309 I460	N256-W262 HydrophobicContact CB-CZ2 4.27Å; N256-W262 PolarHBondContact O-NE1 3.43Å; L259-W262 PolarHBondContact O-N 3.49Å; L260-W262 VanDerWaalsContact C-N 3.32Å; L260-W262 PolarHBondContact O-N 3.48Å; W262-K264 PolarHBondContact O-N 3.03Å; W262-K265 WeakPolarHBondContact O-CB 3.35Å; W262-K265 PolarHBondContact O-N 2.85Å; W262-K265 VanDerWaalsContact O-N 3.16Å; W262-L266 VanDerWaalsContact O-CD1 3.28Å; W262-L266 WeakPolarHBondContact O-CD1 3.34Å; W262-L266 WeakPolarHBondContact O-CG 3.49Å; W262-L266 PolarHBondContact O-N 3.42Å; W262-L266 VanDerWaalsContact O-N 3.17Å; W262-F269 HydrophobicContact CB-CE1 4.27Å; W262-F269 HydrophobicContact CB-CZ 4.33Å; W262-L305 HydrophobicContact CG-CD1 4.12Å; W262-M309 HydrophobicContact CD2-CE 4.49Å; W262-M309 HydrophobicContact CH2-CE 4.07Å; W262-M309 HydrophobicContact CZ2-CE 3.93Å; W262-M309 HydrophobicContact CZ2-SD 4.2Å; W262-M309 HydrophobicContact CZ3-CE 4.43Å; W262-I460 HydrophobicContact CD2-CD1 4.34Å; W262-I460 HydrophobicContact CE3-CB 4.01Å; W262-I460 HydrophobicContact CE3-CD1 4.31Å; W262-I460 HydrophobicContact CE3-CG2 3.74Å; W262-I460 HydrophobicContact CG-CD1 4.46Å; W262-I460 HydrophobicContact CZ3-CB 4.19Å; W262-I460 HydrophobicContact CZ3-CG2 4.33Å
263	L	89.2	Confident	89.2	Confident	3 Å²	3	34.7 Å²	34.7	2%	0.016	18%	0.177	C	C	.	.	H	α-helix	trans	-61.9	-44.2	-179.6	-173.4	50.8	0	0	0	112.7	L259 L260 K265 L266 G267 F269 Q376 M377	L259-L263 PolarHBondContact O-N 2.93Å; L260-L263 PolarHBondContact O-N 3.45Å; L263-K265 VanDerWaalsContact C-N 3.35Å; L263-K265 PolarHBondContact O-N 3.28Å; L263-L266 PolarHBondContact O-N 3.33Å; L263-G267 CarbonylContact O-C 3.45Å; L263-G267 PolarHBondContact O-N 3.38Å; L263-G267 VanDerWaalsContact O-N 3.14Å; L263-F269 HydrophobicContact CB-CE1 3.97Å; L263-F269 HydrophobicContact CB-CZ 3.9Å; L263-F269 HydrophobicContact CD1-CD1 3.99Å; L263-F269 HydrophobicContact CD1-CE1 3.93Å; L263-F269 HydrophobicContact CD1-CG 4.3Å; L263-F269 HydrophobicContact CD1-CZ 4.22Å; L263-Q376 HydrophobicContact CD2-CB 4.4Å; L263-Q376 HydrophobicContact CD2-CG 3.76Å; L263-M377 HydrophobicContact CD2-CG 4.14Å
264	K	82.7	Confident	89.3	Confident	137 Å²	137	33.8 Å²	33.8	60%	0.596	17%	0.173	S	C	*	.	H	α-helix	trans	-58.8	-43.8	172.5	-76.9	171.8	176	164.2	0	112	L260 W262 L266	L260-K264 HydrophobicContact CD1-CD 4.46Å; L260-K264 HydrophobicContact CD1-CG 4.19Å; L260-K264 HydrophobicContact CD2-CD 4.37Å; L260-K264 VanDerWaalsContact CD2-NZ 3.34Å; L260-K264 HydrophobicContact CG-CD 3.97Å; L260-K264 HydrophobicContact CG-CG 4.18Å; L260-K264 WeakPolarHBondContact O-CB 3.18Å; L260-K264 WeakPolarHBondContact O-CG 3.49Å; L260-K264 PolarHBondContact O-N 3.09Å; W262-K264 PolarHBondContact O-N 3.03Å; K264-L266 VanDerWaalsContact C-N 3.3Å; K264-L266 PolarHBondContact O-N 2.99Å
265	K	77.3	Confident	89.4	Confident	53 Å²	53	36 Å²	36	23%	0.23	18%	0.179	C	C	.	.	H	α-helix	trans	-67	-26	-176.1	174.3	179.3	176.8	175.5	0	114.1	S261 W262 L263 V467	S261-K265 WeakPolarHBondContact O-CB 3.27Å; S261-K265 PolarHBondContact O-N 3.21Å; W262-K265 WeakPolarHBondContact O-CB 3.35Å; W262-K265 PolarHBondContact O-N 2.85Å; W262-K265 VanDerWaalsContact O-N 3.16Å; L263-K265 VanDerWaalsContact C-N 3.35Å; L263-K265 PolarHBondContact O-N 3.28Å; K265-V467 WeakPolarHBondContact CE-O 3.27Å; K265-V467 HydrophobicContact CG-CG1 4.03Å; K265-V467 PolarHBondContact NZ-O 3.26Å
266	L	81.2	Confident	89.8	Confident	4 Å²	4	34.4 Å²	34.4	2%	0.021	17%	0.172	C	C	.	.	H	α-helix	trans	-108.8	-10.6	-172.8	-55.8	164.7	0	0	0	113.3	W262 L263 K264 S268 F269 I460 P462 N596 I599	W262-L266 VanDerWaalsContact O-CD1 3.28Å; W262-L266 WeakPolarHBondContact O-CD1 3.34Å; W262-L266 WeakPolarHBondContact O-CG 3.49Å; W262-L266 PolarHBondContact O-N 3.42Å; W262-L266 VanDerWaalsContact O-N 3.17Å; L263-L266 PolarHBondContact O-N 3.33Å; K264-L266 VanDerWaalsContact C-N 3.3Å; K264-L266 PolarHBondContact O-N 2.99Å; L266-S268 WeakPolarHBondContact CB-O 3.28Å; L266-S268 PolarHBondContact O-N 3.36Å; L266-S268 VanDerWaalsContact O-N 3.11Å; L266-F269 HydrophobicContact CD1-CD1 3.83Å; L266-F269 HydrophobicContact CD1-CE1 3.71Å; L266-I460 HydrophobicContact CD1-CG2 3.14Å; L266-I460 HydrophobicContact CG-CG2 4.49Å; L266-P462 HydrophobicContact CD2-CB 3.59Å; L266-N596 PolarHBondContact O-ND2 3.12Å; L266-I599 WeakPolarHBondContact O-CD1 3.36Å
267	G	78.5	Confident	90.1	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.165	C	C	.	.	S	Bend	trans	83.6	-60.3	-170.6	0	0	0	0	0	111.5	L263 G380 K598	L263-G267 CarbonylContact O-C 3.45Å; L263-G267 PolarHBondContact O-N 3.38Å; L263-G267 VanDerWaalsContact O-N 3.14Å; G267-G380 WeakPolarHBondContact O-CA 3.5Å; G267-K598 PolarHBondContact O-NZ 2.98Å
268	S	85.9	Confident	90.5	Very high	3 Å²	3	32.2 Å²	32.2	2%	0.021	16%	0.157	C	C	.	.	S	Bend	trans	-150.6	175.9	172	90	0	0	0	0	111	L266 M377 L378 N596	L266-S268 WeakPolarHBondContact CB-O 3.28Å; L266-S268 PolarHBondContact O-N 3.36Å; L266-S268 VanDerWaalsContact O-N 3.11Å; S268-M377 WeakPolarHBondContact CB-O 3.46Å; S268-L378 WeakPolarHBondContact CB-O 3.42Å; S268-L378 PolarHBondContact OG-O 3.02Å; S268-L378 VanDerWaalsContact OG-O 3.13Å; S268-N596 PolarHBondContact N-ND2 2.97Å; S268-N596 WeakPolarHBondContact OG-CB 3.32Å
269	F	89.9	Confident	90.7	Very high	8 Å²	8	28.9 Å²	28.9	4%	0.035	14%	0.141	C	C	.	.			trans	-100.9	155.9	173.3	-60.6	-18.4	0	0	0	112.2	L259 W262 L263 L266 V273 A274 Y277 M377 I460	L259-F269 HydrophobicContact CD1-CE2 3.76Å; L259-F269 HydrophobicContact CD1-CZ 3.72Å; L259-F269 HydrophobicContact CG-CE2 4.17Å; L259-F269 HydrophobicContact CG-CZ 4.18Å; W262-F269 HydrophobicContact CB-CE1 4.27Å; W262-F269 HydrophobicContact CB-CZ 4.33Å; L263-F269 HydrophobicContact CB-CE1 3.97Å; L263-F269 HydrophobicContact CB-CZ 3.9Å; L263-F269 HydrophobicContact CD1-CD1 3.99Å; L263-F269 HydrophobicContact CD1-CE1 3.93Å; L263-F269 HydrophobicContact CD1-CG 4.3Å; L263-F269 HydrophobicContact CD1-CZ 4.22Å; L266-F269 HydrophobicContact CD1-CD1 3.83Å; L266-F269 HydrophobicContact CD1-CE1 3.71Å; F269-V273 HydrophobicContact CB-CB 4.18Å; F269-V273 HydrophobicContact CB-CG1 4.02Å; F269-V273 HydrophobicContact CD2-CG1 4.01Å; F269-V273 HydrophobicContact CG-CG1 3.98Å; F269-A274 HydrophobicContact CB-CB 4.42Å; F269-Y277 HydrophobicContact CE2-CD2 4.48Å; F269-M377 HydrophobicContact CD2-CB 3.82Å; F269-M377 HydrophobicContact CD2-CG 3.61Å; F269-M377 HydrophobicContact CD2-SD 3.69Å; F269-M377 HydrophobicContact CE2-CB 4.37Å; F269-M377 HydrophobicContact CE2-CG 3.67Å; F269-M377 HydrophobicContact CE2-SD 3.63Å; F269-M377 HydrophobicContact CG-CB 4.5Å; F269-M377 PolarHBondContact N-O 3.16Å; F269-I460 HydrophobicContact CD1-CG2 4.49Å; F269-I460 HydrophobicContact CE1-CG2 4.29Å
270	E	89.3	Confident	90.9	Very high	95 Å²	95	28.9 Å²	28.9	44%	0.444	14%	0.141	S	C	.	.			trans	-64.5	153.9	162.8	-71.6	-176.5	173.7	0	0	111.1	S272 V273 A274 Y463	E270-S272 VanDerWaalsContact C-N 3.29Å; E270-S272 PolarHBondContact O-N 2.87Å; E270-V273 HydrophobicContact CB-CG2 4.3Å; E270-V273 WeakPolarHBondContact O-CB 3.2Å; E270-V273 PolarHBondContact O-N 3.2Å; E270-V273 VanDerWaalsContact O-N 3.11Å; E270-A274 PolarHBondContact O-N 2.7Å; E270-Y463 HydrophobicContact CG-CE1 4.4Å; E270-Y463 WeakPolarHBondContact CG-OH 3.33Å
271	E	91.4	Very high	91.2	Very high	66 Å²	66	28.3 Å²	28.3	31%	0.308	14%	0.138	S	C	.	.	H	α-helix	trans	-60.5	-36.6	-178.3	-169.7	-170	131.2	0	0	113.2	A274 R275 L378 N408 F443	E271-A274 PolarHBondContact O-N 3.02Å; E271-R275 WeakPolarHBondContact O-CB 3.19Å; E271-R275 PolarHBondContact O-N 2.97Å; E271-R275 IonicContact OE1-CZ 3.41Å; E271-R275 IonicContact OE1-NH2 2.93Å; E271-R275 PolarHBondContact OE1-NH2 3.44Å; E271-L378 HydrophobicContact CB-CD2 4.32Å; E271-L378 HydrophobicContact CG-CD2 4.47Å; E271-N408 PolarHBondContact OE1-ND2 3.11Å; E271-N408 PolarHBondContact OE2-ND2 3.43Å; E271-F443 HydrophobicContact CG-CE2 4.07Å
272	S	93.2	Very high	91.7	Very high	51 Å²	51	25.4 Å²	25.4	36%	0.357	12%	0.118	S	C	.	.	H	α-helix	trans	-59	-45.5	173.6	50.6	0	0	0	0	112.2	E270 F276	E270-S272 VanDerWaalsContact C-N 3.29Å; E270-S272 PolarHBondContact O-N 2.87Å; S272-F276 PolarHBondContact O-N 3.41Å; S272-F276 VanDerWaalsContact O-N 3.13Å
273	V	94.5	Very high	92.1	Very high	5 Å²	5	24 Å²	24	3%	0.03	11%	0.114	C	C	.	.	H	α-helix	trans	-69.4	-47	178.7	177.4	0	0	0	0	110.6	F269 E270 R275 F276 Y277 P458 I460	F269-V273 HydrophobicContact CB-CB 4.18Å; F269-V273 HydrophobicContact CB-CG1 4.02Å; F269-V273 HydrophobicContact CD2-CG1 4.01Å; F269-V273 HydrophobicContact CG-CG1 3.98Å; E270-V273 HydrophobicContact CB-CG2 4.3Å; E270-V273 WeakPolarHBondContact O-CB 3.2Å; E270-V273 PolarHBondContact O-N 3.2Å; E270-V273 VanDerWaalsContact O-N 3.11Å; V273-R275 VanDerWaalsContact C-N 3.35Å; V273-R275 PolarHBondContact O-N 2.95Å; V273-F276 PolarHBondContact O-N 2.62Å; V273-Y277 HydrophobicContact CG1-CD2 3.77Å; V273-Y277 HydrophobicContact CG1-CE2 3.69Å; V273-Y277 VanDerWaalsContact O-CD2 3.27Å; V273-Y277 WeakPolarHBondContact O-CD2 3.24Å; V273-Y277 PolarHBondContact O-N 2.93Å; V273-Y277 VanDerWaalsContact O-N 3.11Å; V273-P458 HydrophobicContact CB-CG 4.47Å; V273-P458 HydrophobicContact CG2-CB 4.11Å; V273-P458 HydrophobicContact CG2-CG 4.13Å; V273-I460 HydrophobicContact CG1-CG1 4.09Å
274	A	96.2	Very high	92.5	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-61.3	-41.5	176.6	0	0	0	0	0	111.9	F269 E270 E271 T278 L374 M377 L378	F269-A274 HydrophobicContact CB-CB 4.42Å; E270-A274 PolarHBondContact O-N 2.7Å; E271-A274 PolarHBondContact O-N 3.02Å; A274-T278 VanDerWaalsContact O-CB 3.25Å; A274-T278 WeakPolarHBondContact O-CB 2.9Å; A274-T278 PolarHBondContact O-N 3.11Å; A274-T278 PolarHBondContact O-OG1 3.35Å; A274-L374 HydrophobicContact CB-CD1 4.48Å; A274-M377 HydrophobicContact CB-CB 4.05Å; A274-L378 HydrophobicContact CB-CD2 3.65Å; A274-L378 HydrophobicContact CB-CG 4.07Å
275	R	97.7	Very high	93.2	Very high	56 Å²	56	17.3 Å²	17.3	21%	0.211	9%	0.085	C	C	.	.	H	α-helix	trans	-59.9	-49.3	175.7	-177.8	-168.5	-67.2	108.5	7.9	111.8	E271 V273 T278 A279 F443 F444 I447	E271-R275 WeakPolarHBondContact O-CB 3.19Å; E271-R275 PolarHBondContact O-N 2.97Å; E271-R275 IonicContact OE1-CZ 3.41Å; E271-R275 IonicContact OE1-NH2 2.93Å; E271-R275 PolarHBondContact OE1-NH2 3.44Å; V273-R275 VanDerWaalsContact C-N 3.35Å; V273-R275 PolarHBondContact O-N 2.95Å; R275-T278 PolarHBondContact O-N 3.02Å; R275-A279 WeakPolarHBondContact O-CB 3.17Å; R275-A279 PolarHBondContact O-N 3Å; R275-F443 HydrophobicContact CB-CE1 4.02Å; R275-F443 HydrophobicContact CB-CE2 4.45Å; R275-F443 HydrophobicContact CB-CZ 3.82Å; R275-F443 VanDerWaalsContact CD-O 3.29Å; R275-F443 WeakPolarHBondContact CD-O 3.33Å; R275-F443 HydrophobicContact CG-CE1 4.21Å; R275-F443 HydrophobicContact CG-CZ 4.4Å; R275-F443 WeakPolarHBondContact CG-O 3.48Å; R275-F443 PolarHBondContact NE-O 3.12Å; R275-F444 HydrophobicContact CG-CD1 4.46Å; R275-I447 HydrophobicContact CG-CD1 4.04Å; R275-I447 HydrophobicContact CG-CG1 4.1Å
276	F	97.7	Very high	94.2	Very high	8 Å²	8	17.6 Å²	17.6	4%	0.035	9%	0.087	C	C	.	.	H	α-helix	trans	-58.6	-54	179.9	-175.1	-87.4	0	0	0	111.3	S272 V273 T278 A279 E280 L452 E455 P457 P458	S272-F276 PolarHBondContact O-N 3.41Å; S272-F276 VanDerWaalsContact O-N 3.13Å; V273-F276 PolarHBondContact O-N 2.62Å; F276-T278 PolarHBondContact O-N 2.92Å; F276-A279 WeakPolarHBondContact O-CB 3.38Å; F276-A279 PolarHBondContact O-N 2.81Å; F276-A279 VanDerWaalsContact O-N 3.11Å; F276-E280 HydrophobicContact CD1-CG 4.24Å; F276-E280 HydrophobicContact CE1-CG 3.88Å; F276-E280 WeakPolarHBondContact CE1-OE1 3.5Å; F276-E280 HydrophobicContact CZ-CG 4.36Å; F276-E280 WeakPolarHBondContact CZ-OE1 3.46Å; F276-E280 PolarHBondContact O-N 2.81Å; F276-L452 HydrophobicContact CD2-CD1 3.95Å; F276-L452 HydrophobicContact CE2-CD1 3.55Å; F276-L452 HydrophobicContact CZ-CD1 4.01Å; F276-E455 HydrophobicContact CE2-CB 4.5Å; F276-E455 HydrophobicContact CE2-CG 4.41Å; F276-P457 HydrophobicContact CD1-CB 4.23Å; F276-P457 HydrophobicContact CE1-CB 3.57Å; F276-P457 HydrophobicContact CE1-CG 3.73Å; F276-P457 HydrophobicContact CZ-CB 3.85Å; F276-P457 HydrophobicContact CZ-CG 3.76Å; F276-P458 HydrophobicContact CB-CG 3.71Å; F276-P458 HydrophobicContact CD1-CG 4.32Å; F276-P458 HydrophobicContact CD2-CG 4.38Å; F276-P458 HydrophobicContact CG-CG 3.89Å
277	Y	98.2	Very high	94.9	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-67.2	-34.4	-179.3	-71	-58.4	0	0	0	113.5	L259 F269 V273 A279 E280 I281 L305 M309 I311 I460	L259-Y277 HydrophobicContact CD1-CD2 4.37Å; L259-Y277 HydrophobicContact CD1-CG 4.39Å; F269-Y277 HydrophobicContact CE2-CD2 4.48Å; V273-Y277 HydrophobicContact CG1-CD2 3.77Å; V273-Y277 HydrophobicContact CG1-CE2 3.69Å; V273-Y277 VanDerWaalsContact O-CD2 3.27Å; V273-Y277 WeakPolarHBondContact O-CD2 3.24Å; V273-Y277 PolarHBondContact O-N 2.93Å; V273-Y277 VanDerWaalsContact O-N 3.11Å; Y277-A279 VanDerWaalsContact C-N 3.29Å; Y277-A279 PolarHBondContact O-N 3.48Å; Y277-E280 PolarHBondContact O-N 2.97Å; Y277-I281 WeakPolarHBondContact O-CD1 3.43Å; Y277-I281 WeakPolarHBondContact O-CG1 3.43Å; Y277-I281 PolarHBondContact O-N 3.33Å; Y277-L305 HydrophobicContact CD1-CD2 4.34Å; Y277-L305 HydrophobicContact CE1-CD2 3.61Å; Y277-M309 VanDerWaalsContact CE1-O 3.28Å; Y277-M309 WeakPolarHBondContact CE1-O 3.35Å; Y277-M309 PolarHBondContact OH-O 2.92Å; Y277-I311 HydrophobicContact CD1-CG2 3.57Å; Y277-I311 HydrophobicContact CE1-CG2 4.04Å; Y277-I460 HydrophobicContact CE2-CD1 3.54Å; Y277-I460 HydrophobicContact CE2-CG1 3.83Å
278	T	98.5	Very high	95.8	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-62.9	-38.2	172.6	-53.3	0	0	0	0	111.1	A274 R275 F276 L282 L370 L374 M377 F443 F444	A274-T278 VanDerWaalsContact O-CB 3.25Å; A274-T278 WeakPolarHBondContact O-CB 2.9Å; A274-T278 PolarHBondContact O-N 3.11Å; A274-T278 PolarHBondContact O-OG1 3.35Å; R275-T278 PolarHBondContact O-N 3.02Å; F276-T278 PolarHBondContact O-N 2.92Å; T278-L282 WeakPolarHBondContact O-CB 3.32Å; T278-L282 PolarHBondContact O-N 3.23Å; T278-L370 HydrophobicContact CG2-CD1 3.78Å; T278-L370 HydrophobicContact CG2-CD2 4.45Å; T278-L370 HydrophobicContact CG2-CG 4.13Å; T278-L374 HydrophobicContact CG2-CB 4.47Å; T278-M377 WeakPolarHBondContact OG1-CE 3.42Å; T278-F443 HydrophobicContact CG2-CE1 4.46Å; T278-F444 HydrophobicContact CG2-CE1 3.77Å; T278-F444 HydrophobicContact CG2-CZ 3.77Å
279	A	98.6	Very high	96.3	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-67	-43.2	176.5	0	0	0	0	0	112.3	R275 F276 Y277 L282 V283 F444 I447 W449 L452	R275-A279 WeakPolarHBondContact O-CB 3.17Å; R275-A279 PolarHBondContact O-N 3Å; F276-A279 WeakPolarHBondContact O-CB 3.38Å; F276-A279 PolarHBondContact O-N 2.81Å; F276-A279 VanDerWaalsContact O-N 3.11Å; Y277-A279 VanDerWaalsContact C-N 3.29Å; Y277-A279 PolarHBondContact O-N 3.48Å; A279-L282 PolarHBondContact O-N 2.8Å; A279-V283 WeakPolarHBondContact O-CG2 3.31Å; A279-V283 PolarHBondContact O-N 2.99Å; A279-F444 HydrophobicContact CB-CD1 4.14Å; A279-F444 HydrophobicContact CB-CE1 4.24Å; A279-I447 HydrophobicContact CB-CD1 4.19Å; A279-I447 HydrophobicContact CB-CG1 4.2Å; A279-I447 HydrophobicContact CB-CG2 3.99Å; A279-W449 HydrophobicContact CB-CH2 3.89Å; A279-W449 HydrophobicContact CB-CZ3 3.66Å; A279-L452 HydrophobicContact CB-CD2 3.87Å
280	E	98.5	Very high	96.5	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-62.8	-44	176	-63.5	-159.7	145.3	0	0	112	F233 F276 Y277 L282 V283 A284 H310 I311 L452	F233-E280 HydrophobicContact CD2-CB 4.03Å; F233-E280 HydrophobicContact CD2-CG 4.48Å; F233-E280 HydrophobicContact CE1-CB 4.45Å; F233-E280 HydrophobicContact CE1-CG 4.1Å; F233-E280 WeakPolarHBondContact CE1-OE1 3.21Å; F233-E280 HydrophobicContact CE2-CB 3.93Å; F233-E280 HydrophobicContact CE2-CG 3.92Å; F233-E280 HydrophobicContact CG-CB 4.36Å; F233-E280 HydrophobicContact CZ-CB 4.14Å; F233-E280 HydrophobicContact CZ-CG 3.69Å; F233-E280 VanDerWaalsContact CZ-OE1 3.25Å; F233-E280 WeakPolarHBondContact CZ-OE1 3.36Å; F276-E280 HydrophobicContact CD1-CG 4.24Å; F276-E280 HydrophobicContact CE1-CG 3.88Å; F276-E280 WeakPolarHBondContact CE1-OE1 3.5Å; F276-E280 HydrophobicContact CZ-CG 4.36Å; F276-E280 WeakPolarHBondContact CZ-OE1 3.46Å; F276-E280 PolarHBondContact O-N 2.81Å; Y277-E280 PolarHBondContact O-N 2.97Å; E280-L282 VanDerWaalsContact C-N 3.3Å; E280-L282 PolarHBondContact O-N 2.69Å; E280-V283 PolarHBondContact O-N 3.28Å; E280-A284 PolarHBondContact O-N 2.8Å; E280-H310 IonicContact OE1-CE1 3.47Å; E280-H310 IonicContact OE1-CG 2.59Å; E280-H310 IonicContact OE1-ND1 2.67Å; E280-H310 PolarHBondContact OE1-ND1 3.44Å; E280-I311 VanDerWaalsContact C-CD1 3.5Å; E280-I311 HydrophobicContact CB-CD1 3.61Å; E280-I311 HydrophobicContact CB-CG1 3.83Å; E280-I311 WeakPolarHBondContact OE2-CG2 3.4Å; E280-I311 PolarHBondContact OE2-N 2.89Å; E280-L452 HydrophobicContact CG-CD1 4.37Å; E280-L452 HydrophobicContact CG-CD2 3.96Å; E280-L452 HydrophobicContact CG-CG 4.06Å
281	I	98.6	Very high	96.7	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-61.6	-41.4	177	-63.3	164.4	0	0	0	109.9	L259 Y277 V283 A284 L285 L298 V303 I311 L370 M373	L259-I281 HydrophobicContact CD2-CD1 4.49Å; Y277-I281 WeakPolarHBondContact O-CD1 3.43Å; Y277-I281 WeakPolarHBondContact O-CG1 3.43Å; Y277-I281 PolarHBondContact O-N 3.33Å; I281-V283 PolarHBondContact O-N 3.49Å; I281-A284 WeakPolarHBondContact O-CB 3.47Å; I281-A284 PolarHBondContact O-N 2.94Å; I281-L285 HydrophobicContact CG2-CD1 4.38Å; I281-L285 HydrophobicContact CG2-CG 4.37Å; I281-L285 WeakPolarHBondContact O-CG 3.44Å; I281-L285 PolarHBondContact O-N 2.78Å; I281-L298 HydrophobicContact CG2-CD2 4.03Å; I281-V303 HydrophobicContact CD1-CG1 4.4Å; I281-V303 HydrophobicContact CD1-CG2 4.21Å; I281-V303 HydrophobicContact CG1-CG1 4.35Å; I281-V303 HydrophobicContact CG1-CG2 4.36Å; I281-I311 HydrophobicContact CB-CD1 4.23Å; I281-I311 HydrophobicContact CG1-CD1 3.59Å; I281-L370 HydrophobicContact CB-CD1 3.93Å; I281-L370 HydrophobicContact CG2-CD1 3.62Å; I281-M373 HydrophobicContact CD1-CE 3.94Å; I281-M373 HydrophobicContact CD1-SD 4.4Å; I281-M373 HydrophobicContact CG2-CE 3.87Å
282	L	98.4	Very high	96.8	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-61.7	-42.8	176.6	176.6	56.5	0	0	0	112.5	T278 A279 E280 A284 L285 E286 Y367 L370 L438 K439 F444 W449	T278-L282 WeakPolarHBondContact O-CB 3.32Å; T278-L282 PolarHBondContact O-N 3.23Å; A279-L282 PolarHBondContact O-N 2.8Å; E280-L282 VanDerWaalsContact C-N 3.3Å; E280-L282 PolarHBondContact O-N 2.69Å; L282-A284 VanDerWaalsContact C-N 3.35Å; L282-L285 PolarHBondContact O-N 3.32Å; L282-E286 WeakPolarHBondContact O-CB 3.43Å; L282-E286 PolarHBondContact O-N 2.82Å; L282-Y367 HydrophobicContact CD1-CD1 4.49Å; L282-Y367 HydrophobicContact CD1-CE1 3.94Å; L282-L370 HydrophobicContact CB-CD2 4.34Å; L282-L370 HydrophobicContact CD1-CD2 4.36Å; L282-L438 HydrophobicContact CD1-CD2 3.53Å; L282-L438 HydrophobicContact CD1-CG 4.09Å; L282-L438 HydrophobicContact CD2-CD2 4.21Å; L282-L438 HydrophobicContact CD2-CG 3.85Å; L282-K439 HydrophobicContact CD2-CG 3.72Å; L282-K439 HydrophobicContact CG-CG 4.4Å; L282-F444 HydrophobicContact CD2-CE2 4.05Å; L282-F444 HydrophobicContact CD2-CZ 4.07Å; L282-W449 HydrophobicContact CD2-CH2 3.89Å; L282-W449 HydrophobicContact CD2-CZ3 4.17Å
283	V	98	Very high	96.8	Very high	14 Å²	14	18.6 Å²	18.6	9%	0.085	8%	0.084	C	C	.	.	H	α-helix	trans	-66.2	-37.9	175.7	177.4	0	0	0	0	111	F233 A279 E280 I281 H287 W449 L452	F233-V283 HydrophobicContact CD2-CB 4.16Å; F233-V283 HydrophobicContact CD2-CG1 4.17Å; F233-V283 HydrophobicContact CE2-CB 4.25Å; F233-V283 HydrophobicContact CE2-CG1 4.26Å; A279-V283 WeakPolarHBondContact O-CG2 3.31Å; A279-V283 PolarHBondContact O-N 2.99Å; E280-V283 PolarHBondContact O-N 3.28Å; I281-V283 PolarHBondContact O-N 3.49Å; V283-H287 PolarHBondContact O-N 3.41Å; V283-H287 VanDerWaalsContact O-N 3.11Å; V283-W449 HydrophobicContact CG2-CE3 3.69Å; V283-W449 HydrophobicContact CG2-CZ3 4Å; V283-L452 HydrophobicContact CG2-CD2 4.18Å
284	A	98.4	Very high	96.9	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-62	-44.9	172.1	0	0	0	0	0	112.1	F233 V234 E280 I281 L282 H287 L288 I311 V313	F233-A284 HydrophobicContact CB-CB 3.9Å; V234-A284 HydrophobicContact CG2-CB 4.23Å; E280-A284 PolarHBondContact O-N 2.8Å; I281-A284 WeakPolarHBondContact O-CB 3.47Å; I281-A284 PolarHBondContact O-N 2.94Å; L282-A284 VanDerWaalsContact C-N 3.35Å; A284-H287 WeakPolarHBondContact O-CB 3.4Å; A284-H287 PolarHBondContact O-N 3.04Å; A284-L288 WeakPolarHBondContact O-CG 3.43Å; A284-L288 PolarHBondContact O-N 3.35Å; A284-I311 HydrophobicContact CB-CD1 4.48Å; A284-V313 HydrophobicContact CB-CG2 3.72Å
285	L	98.2	Very high	96.8	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-64.1	-44.5	177.8	-72.8	-177.2	0	0	0	112.9	I281 L282 H287 L288 H289 L298 D366 Y367 L370	I281-L285 HydrophobicContact CG2-CD1 4.38Å; I281-L285 HydrophobicContact CG2-CG 4.37Å; I281-L285 WeakPolarHBondContact O-CG 3.44Å; I281-L285 PolarHBondContact O-N 2.78Å; L282-L285 PolarHBondContact O-N 3.32Å; L285-H287 PolarHBondContact O-N 3.29Å; L285-L288 HydrophobicContact CD2-CD1 4.25Å; L285-L288 PolarHBondContact O-N 2.78Å; L285-H289 WeakPolarHBondContact O-CB 3.41Å; L285-H289 PolarHBondContact O-N 3.23Å; L285-H289 PolarHBondContact O-ND1 3.47Å; L285-L298 HydrophobicContact CD1-CD2 3.85Å; L285-L298 HydrophobicContact CD2-CD1 4.46Å; L285-L298 HydrophobicContact CD2-CD2 3.95Å; L285-L298 HydrophobicContact CG-CD2 4.24Å; L285-D366 HydrophobicContact CD1-CB 3.97Å; L285-D366 HydrophobicContact CD2-CB 3.72Å; L285-D366 HydrophobicContact CG-CB 4.46Å; L285-Y367 HydrophobicContact CD1-CD1 4.19Å; L285-Y367 HydrophobicContact CD1-CE1 4.37Å; L285-L370 HydrophobicContact CD1-CB 4.44Å
286	E	96.7	Very high	96.6	Very high	60 Å²	60	19.1 Å²	19.1	28%	0.28	9%	0.085	S	C	.	.	H	α-helix	trans	-55.8	-42.1	173.8	179.4	-174.2	-136.9	0	0	111.2	L282 K290 P435 K439	L282-E286 WeakPolarHBondContact O-CB 3.43Å; L282-E286 PolarHBondContact O-N 2.82Å; E286-K290 WeakPolarHBondContact O-CB 3.33Å; E286-K290 PolarHBondContact O-N 3.01Å; E286-P435 HydrophobicContact CB-CB 4.47Å; E286-P435 HydrophobicContact CG-CB 4.39Å; E286-P435 HydrophobicContact CG-CG 4.16Å; E286-K439 IonicContact OE1-NZ 3.63Å; E286-K439 PolarHBondContact OE1-NZ 3.17Å; E286-K439 WeakPolarHBondContact OE2-CE 3.36Å; E286-K439 IonicContact OE2-NZ 3.28Å; E286-K439 PolarHBondContact OE2-NZ 2.96Å
287	H	97	Very high	96.4	Very high	23 Å²	23	19.4 Å²	19.4	11%	0.106	9%	0.087	C	C	.	.	H	α-helix	trans	-62.9	-49.7	173.8	174.1	76.8	0	0	0	112.6	H229 H231 V283 A284 L285 H289 K290 V291	H229-H287 PolarHBondContact O-CE1 3.23Å; H229-H287 PolarHBondContact O-NE2 3.29Å; H229-H287 VanDerWaalsContact O-NE2 3.15Å; H231-H287 AromaticContact CD2-CG 3.6Å; H231-H287 AromaticContact CD2-ND1 3.72Å; H231-H287 AromaticContact CG-CD2 3.88Å; H231-H287 AromaticContact CG-CG 3.56Å; H231-H287 AromaticContact CG-ND1 3.94Å; V283-H287 PolarHBondContact O-N 3.41Å; V283-H287 VanDerWaalsContact O-N 3.11Å; A284-H287 WeakPolarHBondContact O-CB 3.4Å; A284-H287 PolarHBondContact O-N 3.04Å; L285-H287 PolarHBondContact O-N 3.29Å; H287-H289 PolarHBondContact O-N 2.96Å; H287-K290 PolarHBondContact O-N 3.15Å; H287-V291 PolarHBondContact O-N 3.34Å; H287-V291 VanDerWaalsContact O-N 3.14Å
288	L	97.3	Very high	96.3	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-57	-50	178	-65.6	-174.6	0	0	0	111.3	L226 V234 A284 L285 K290 V291 G292 I293 H295 V313 F316	L226-L288 HydrophobicContact CD1-CD2 4.03Å; L226-L288 HydrophobicContact CD2-CD2 3.45Å; L226-L288 VanDerWaalsContact CD2-CD2 3.45Å; L226-L288 HydrophobicContact CG-CD2 4.37Å; V234-L288 HydrophobicContact CG1-CD2 4.39Å; V234-L288 HydrophobicContact CG2-CD2 4.2Å; A284-L288 WeakPolarHBondContact O-CG 3.43Å; A284-L288 PolarHBondContact O-N 3.35Å; L285-L288 HydrophobicContact CD2-CD1 4.25Å; L285-L288 PolarHBondContact O-N 2.78Å; L288-K290 VanDerWaalsContact C-N 3.34Å; L288-K290 PolarHBondContact O-N 3.37Å; L288-V291 VanDerWaalsContact O-CG2 3.24Å; L288-V291 WeakPolarHBondContact O-CG2 3.49Å; L288-V291 PolarHBondContact O-N 2.81Å; L288-G292 PolarHBondContact O-N 2.69Å; L288-I293 CarbonylContact C-O 3.56Å; L288-I293 HydrophobicContact CB-CB 4.46Å; L288-I293 WeakPolarHBondContact CB-O 3.45Å; L288-I293 PolarHBondContact O-N 3.45Å; L288-I293 VanDerWaalsContact O-O 3.08Å; L288-H295 HydrophobicContact CD1-CB 4.2Å; L288-V313 HydrophobicContact CD1-CG1 4.43Å; L288-F316 HydrophobicContact CD1-CE1 3.98Å; L288-F316 HydrophobicContact CD2-CE1 3.79Å; L288-F316 HydrophobicContact CD2-CZ 4.17Å
289	H	95.5	Very high	96.1	Very high	25 Å²	25	20.4 Å²	20.4	12%	0.116	9%	0.092	C	C	.	.	H	α-helix	trans	-61.5	-42.1	179.8	-63	161.7	0	0	0	111.4	L285 H287 V291 G292 I293 C363 Y367	L285-H289 WeakPolarHBondContact O-CB 3.41Å; L285-H289 PolarHBondContact O-N 3.23Å; L285-H289 PolarHBondContact O-ND1 3.47Å; H287-H289 PolarHBondContact O-N 2.96Å; H289-V291 VanDerWaalsContact C-N 3.3Å; H289-V291 PolarHBondContact O-N 3.46Å; H289-G292 PolarHBondContact O-N 3.39Å; H289-I293 PolarHBondContact CD2-O 3.23Å; H289-I293 PolarHBondContact N-O 3.24Å; H289-C363 PolarHBondContact NE2-O 3.34Å; H289-Y367 AromaticContact CE1-CE1 3.73Å; H289-Y367 AromaticContact CE1-CE2 3.79Å; H289-Y367 AromaticContact CE1-CZ 3.04Å; H289-Y367 PolarHBondContact CE1-OH 3.09Å; H289-Y367 AromaticContact ND1-CZ 3.66Å; H289-Y367 PolarHBondContact ND1-OH 3.47Å; H289-Y367 AromaticContact NE2-CD1 3.65Å; H289-Y367 AromaticContact NE2-CD2 3.88Å; H289-Y367 AromaticContact NE2-CE1 3.2Å; H289-Y367 WeakPolarHBondContact NE2-CE1 3.42Å; H289-Y367 AromaticContact NE2-CE2 3.44Å; H289-Y367 WeakPolarHBondContact NE2-CE2 3.24Å; H289-Y367 AromaticContact NE2-CG 3.96Å; H289-Y367 AromaticContact NE2-CZ 3.08Å
290	K	94.5	Very high	96	Very high	182 Å²	182	20.4 Å²	20.4	79%	0.791	9%	0.092	S	C	*	.	H	α-helix	trans	-61.4	-32.8	177.2	-178.6	175.3	-178.4	173.9	0	113.5	E286 H287 L288 G292	E286-K290 WeakPolarHBondContact O-CB 3.33Å; E286-K290 PolarHBondContact O-N 3.01Å; H287-K290 PolarHBondContact O-N 3.15Å; L288-K290 VanDerWaalsContact C-N 3.34Å; L288-K290 PolarHBondContact O-N 3.37Å; K290-G292 VanDerWaalsContact C-N 3.29Å
291	V	93.8	Very high	95.7	Very high	17 Å²	17	22.2 Å²	22.2	10%	0.103	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	8.6	173.9	-56	0	0	0	0	113.4	I225 L226 H229 H287 L288 H289 I293	I225-V291 HydrophobicContact CG2-CB 4.23Å; I225-V291 HydrophobicContact CG2-CG2 4.32Å; L226-V291 HydrophobicContact CD2-CG2 3.87Å; H229-V291 HydrophobicContact CB-CG1 3.92Å; H287-V291 PolarHBondContact O-N 3.34Å; H287-V291 VanDerWaalsContact O-N 3.14Å; L288-V291 VanDerWaalsContact O-CG2 3.24Å; L288-V291 WeakPolarHBondContact O-CG2 3.49Å; L288-V291 PolarHBondContact O-N 2.81Å; H289-V291 VanDerWaalsContact C-N 3.3Å; H289-V291 PolarHBondContact O-N 3.46Å; V291-I293 HydrophobicContact CG2-CB 4.36Å; V291-I293 HydrophobicContact CG2-CD1 3.91Å; V291-I293 HydrophobicContact CG2-CG1 4.12Å
292	G	93.1	Very high	95.6	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	76	30.6	177.3	0	0	0	0	0	114.2	L288 H289 K290 I321 L322	L288-G292 PolarHBondContact O-N 2.69Å; H289-G292 PolarHBondContact O-N 3.39Å; K290-G292 VanDerWaalsContact C-N 3.29Å; G292-I321 CarbonylContact O-C 3.52Å; G292-I321 WeakPolarHBondContact O-CA 3.35Å; G292-L322 PolarHBondContact O-N 3.19Å
293	I	94.5	Very high	95.6	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	125.9	177.1	-65.4	173.2	0	0	0	109.5	A222 I225 L226 L288 H289 V291 F316 A319 K320	A222-I293 HydrophobicContact CB-CD1 4.17Å; I225-I293 HydrophobicContact CB-CD1 4.1Å; I225-I293 HydrophobicContact CG2-CD1 3.97Å; L226-I293 HydrophobicContact CD1-CD1 4.11Å; L226-I293 HydrophobicContact CD2-CD1 3.98Å; L226-I293 HydrophobicContact CG-CD1 3.71Å; L288-I293 CarbonylContact C-O 3.56Å; L288-I293 HydrophobicContact CB-CB 4.46Å; L288-I293 WeakPolarHBondContact CB-O 3.45Å; L288-I293 PolarHBondContact O-N 3.45Å; L288-I293 VanDerWaalsContact O-O 3.08Å; H289-I293 PolarHBondContact CD2-O 3.23Å; H289-I293 PolarHBondContact N-O 3.24Å; V291-I293 HydrophobicContact CG2-CB 4.36Å; V291-I293 HydrophobicContact CG2-CD1 3.91Å; V291-I293 HydrophobicContact CG2-CG1 4.12Å; I293-F316 HydrophobicContact CG2-CD1 4.44Å; I293-A319 HydrophobicContact CG2-CB 4.23Å; I293-K320 WeakPolarHBondContact CA-O 3.44Å
294	I	94.9	Very high	95.5	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	132.9	167	-54.1	166.6	0	0	0	107.7	R296 A319 K320 L322 T362 C363 C365 D366	I294-R296 HydrophobicContact CB-CG 4.25Å; I294-R296 HydrophobicContact CG2-CG 3.66Å; I294-A319 CarbonylContact O-C 3.57Å; I294-A319 WeakPolarHBondContact O-CA 3.13Å; I294-A319 WeakPolarHBondContact O-CB 3.28Å; I294-K320 HydrophobicContact CB-CB 4.33Å; I294-K320 HydrophobicContact CD1-CD 4.23Å; I294-K320 PolarHBondContact N-O 3.37Å; I294-K320 PolarHBondContact O-N 3.4Å; I294-L322 HydrophobicContact CD1-CD1 4.17Å; I294-L322 HydrophobicContact CD1-CD2 3.77Å; I294-L322 HydrophobicContact CD1-CG 4.17Å; I294-L322 HydrophobicContact CG1-CD1 4.28Å; I294-L322 HydrophobicContact CG1-CD2 4.5Å; I294-L322 HydrophobicContact CG1-CG 4.39Å; I294-T362 VanDerWaalsContact CD1-C 3.48Å; I294-C363 HydrophobicContact CG1-CB 4.46Å; I294-C365 WeakPolarHBondContact CG2-SG 3.44Å; I294-D366 WeakPolarHBondContact CG2-OD2 3.47Å
295	H	95.2	Very high	95.5	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	11%	0.109	C	C	.	.			trans	-73.3	-48.1	-175.1	-160.1	-77.3	0	0	0	112.9	L288 D297 L298 V313 S314 D315 F316 A319 D366	L288-H295 HydrophobicContact CD1-CB 4.2Å; H295-D297 PolarHBondContact CE1-O 3.38Å; H295-D297 VanDerWaalsContact ND1-C 3.31Å; H295-D297 PolarHBondContact ND1-O 3.14Å; H295-D297 PolarHBondContact O-N 2.68Å; H295-L298 HydrophobicContact CB-CB 4.43Å; H295-L298 PolarHBondContact ND1-N 2.74Å; H295-V313 WeakPolarHBondContact NE2-CG1 3.09Å; H295-S314 PolarHBondContact CE1-O 3.32Å; H295-S314 PolarHBondContact NE2-O 3.22Å; H295-D315 PolarHBondContact CE1-O 3.13Å; H295-F316 AromaticContact CD2-CE1 3.65Å; H295-F316 AromaticContact NE2-CE1 3.95Å; H295-A319 WeakPolarHBondContact O-CA 3.25Å; H295-D366 WeakPolarHBondContact CB-OD2 3.38Å; H295-D366 PolarHBondContact N-OD2 3.37Å
296	R	93.2	Very high	95.3	Very high	72 Å²	72	25 Å²	25	27%	0.272	12%	0.115	S	C	.	.	S	Bend	trans	63.4	-18.9	179	-52.1	-165.9	-61.8	167.9	-3.7	118.2	I294 S318 A319 D366	I294-R296 HydrophobicContact CB-CG 4.25Å; I294-R296 HydrophobicContact CG2-CG 3.66Å; R296-S318 PolarHBondContact NE-O 2.9Å; R296-S318 PolarHBondContact NH2-O 2.8Å; R296-A319 PolarHBondContact NH2-O 3.29Å; R296-D366 PolarHBondContact N-OD1 3.19Å
297	D	93.2	Very high	95	Very high	15 Å²	15	26.7 Å²	26.7	8%	0.08	13%	0.126	C	C	.	.	S	Bend	trans	-125.7	50	171.3	-172.8	34.3	0	0	0	110.5	H295 K299 N302 G346	H295-D297 PolarHBondContact CE1-O 3.38Å; H295-D297 VanDerWaalsContact ND1-C 3.31Å; H295-D297 PolarHBondContact ND1-O 3.14Å; H295-D297 PolarHBondContact O-N 2.68Å; D297-K299 IonicContact OD1-NZ 3.63Å; D297-K299 PolarHBondContact OD1-NZ 2.97Å; D297-K299 IonicContact OD2-NZ 3.8Å; D297-K299 PolarHBondContact OD2-NZ 2.59Å; D297-N302 PolarHBondContact O-ND2 3.22Å; D297-N302 PolarHBondContact OD2-ND2 3.43Å; D297-G346 WeakPolarHBondContact OD1-CA 3.17Å
298	L	95.7	Very high	94.9	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.01	15%	0.145	C	C	.	.			trans	-81	126.6	177.7	-171.3	77.8	0	0	0	109.9	I281 L285 H295 V313 A369 M373	I281-L298 HydrophobicContact CG2-CD2 4.03Å; L285-L298 HydrophobicContact CD1-CD2 3.85Å; L285-L298 HydrophobicContact CD2-CD1 4.46Å; L285-L298 HydrophobicContact CD2-CD2 3.95Å; L285-L298 HydrophobicContact CG-CD2 4.24Å; H295-L298 HydrophobicContact CB-CB 4.43Å; H295-L298 PolarHBondContact ND1-N 2.74Å; L298-V313 HydrophobicContact CD1-CG1 4.07Å; L298-A369 HydrophobicContact CB-CB 3.89Å; L298-A369 HydrophobicContact CD2-CB 4.18Å; L298-A369 HydrophobicContact CG-CB 4.48Å; L298-A369 WeakPolarHBondContact O-CB 3.39Å; L298-M373 HydrophobicContact CD1-CE 4.45Å; L298-M373 HydrophobicContact CD2-CE 3.39Å; L298-M373 HydrophobicContact CG-CE 3.59Å; L298-M373 HydrophobicContact CG-SD 4.4Å
299	K	95.4	Very high	94.8	Very high	19 Å²	19	32.6 Å²	32.6	8%	0.083	15%	0.154	C	C	.	.	S	Bend	trans	-165.5	162.2	-175.8	60.7	-168.5	-178.7	-144.9	0	110.2	D297 E301 N302 V303 Y350 M373	D297-K299 IonicContact OD1-NZ 3.63Å; D297-K299 PolarHBondContact OD1-NZ 2.97Å; D297-K299 IonicContact OD2-NZ 3.8Å; D297-K299 PolarHBondContact OD2-NZ 2.59Å; K299-E301 WeakPolarHBondContact CB-OE2 3.19Å; K299-E301 HydrophobicContact CD-CB 4.25Å; K299-E301 HydrophobicContact CD-CG 4.4Å; K299-E301 HydrophobicContact CG-CB 4.01Å; K299-E301 HydrophobicContact CG-CG 4.46Å; K299-E301 WeakPolarHBondContact CG-OE2 3.44Å; K299-E301 PolarHBondContact O-N 2.94Å; K299-E301 VanDerWaalsContact O-N 3.15Å; K299-N302 WeakPolarHBondContact CE-ND2 3.17Å; K299-N302 WeakPolarHBondContact CE-OD1 3.25Å; K299-N302 HydrophobicContact CG-CB 4.1Å; K299-N302 PolarHBondContact O-N 3.45Å; K299-V303 PolarHBondContact O-N 3.04Å; K299-Y350 HydrophobicContact CB-CD1 4.25Å; K299-Y350 HydrophobicContact CB-CD2 3.44Å; K299-Y350 VanDerWaalsContact CB-CD2 3.44Å; K299-Y350 HydrophobicContact CB-CE1 4.35Å; K299-Y350 HydrophobicContact CB-CE2 3.53Å; K299-Y350 HydrophobicContact CB-CG 3.82Å; K299-Y350 HydrophobicContact CD-CD2 4.31Å; K299-Y350 HydrophobicContact CD-CE2 4.38Å; K299-Y350 HydrophobicContact CG-CD2 4.5Å; K299-M373 VanDerWaalsContact C-SD 3.53Å
300	P	95.4	Very high	94.9	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-16.8	-176.2	-20.7	34.9	0	0	0	114.6	L259 L260 N302 Y350 M373	L259-P300 HydrophobicContact CB-CB 4.44Å; L259-P300 PolarHBondContact N-O 2.76Å; L260-P300 HydrophobicContact CB-CB 3.9Å; L260-P300 HydrophobicContact CD1-CB 4.29Å; L260-P300 PolarHBondContact N-O 3.13Å; P300-N302 VanDerWaalsContact C-N 3.34Å; P300-Y350 VanDerWaalsContact CD-CZ 3.49Å; P300-Y350 WeakPolarHBondContact CD-OH 3.08Å; P300-Y350 HydrophobicContact CG-CE1 4.33Å; P300-M373 HydrophobicContact CG-CG 3.81Å; P300-M373 HydrophobicContact CG-SD 4.01Å
301	E	93	Very high	95	Very high	38 Å²	38	24 Å²	24	18%	0.178	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-40.3	166.5	-59.2	88.2	126.7	0	0	111.6	L260 K299 V303 T347	L260-E301 HydrophobicContact CB-CG 4.48Å; L260-E301 HydrophobicContact CD2-CG 3.53Å; K299-E301 WeakPolarHBondContact CB-OE2 3.19Å; K299-E301 HydrophobicContact CD-CB 4.25Å; K299-E301 HydrophobicContact CD-CG 4.4Å; K299-E301 HydrophobicContact CG-CB 4.01Å; K299-E301 HydrophobicContact CG-CG 4.46Å; K299-E301 WeakPolarHBondContact CG-OE2 3.44Å; K299-E301 PolarHBondContact O-N 2.94Å; K299-E301 VanDerWaalsContact O-N 3.15Å; E301-V303 VanDerWaalsContact C-N 3.35Å; E301-T347 PolarHBondContact OE1-OG1 3.06Å
302	N	96.4	Very high	95.3	Very high	14 Å²	14	23.8 Å²	23.8	8%	0.075	12%	0.115	C	C	.	.	S	Bend	trans	-90.7	-0.1	-173.1	-71.4	4.3	0	0	0	112.6	D297 K299 P300 S314	D297-N302 PolarHBondContact O-ND2 3.22Å; D297-N302 PolarHBondContact OD2-ND2 3.43Å; K299-N302 WeakPolarHBondContact CE-ND2 3.17Å; K299-N302 WeakPolarHBondContact CE-OD1 3.25Å; K299-N302 HydrophobicContact CG-CB 4.1Å; K299-N302 PolarHBondContact O-N 3.45Å; P300-N302 VanDerWaalsContact C-N 3.34Å; N302-S314 PolarHBondContact O-N 3.25Å; N302-S314 PolarHBondContact O-OG 3.01Å
303	V	98	Very high	95.5	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	108.3	171.8	-177.8	0	0	0	0	108.2	L259 I281 K299 E301 I311 M373	L259-V303 HydrophobicContact CB-CB 4.14Å; L259-V303 HydrophobicContact CB-CG1 4.2Å; L259-V303 VanDerWaalsContact CB-O 3.32Å; L259-V303 WeakPolarHBondContact CB-O 3.26Å; L259-V303 HydrophobicContact CD2-CB 4.28Å; L259-V303 HydrophobicContact CD2-CG1 3.99Å; L259-V303 PolarHBondContact N-O 2.85Å; I281-V303 HydrophobicContact CD1-CG1 4.4Å; I281-V303 HydrophobicContact CD1-CG2 4.21Å; I281-V303 HydrophobicContact CG1-CG1 4.35Å; I281-V303 HydrophobicContact CG1-CG2 4.36Å; K299-V303 PolarHBondContact O-N 3.04Å; E301-V303 VanDerWaalsContact C-N 3.35Å; V303-I311 HydrophobicContact CG1-CB 3.76Å; V303-I311 HydrophobicContact CG1-CD1 4.37Å; V303-I311 HydrophobicContact CG1-CG2 3.58Å; V303-M373 HydrophobicContact CG2-SD 4.35Å
304	L	97.2	Very high	95.6	Very high	39 Å²	39	24.5 Å²	24.5	20%	0.204	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	165.6	179.8	-50.3	178.5	0	0	0	111	V235 A254 G257 E258 I311 L312	V235-L304 HydrophobicContact CG2-CD1 4.42Å; A254-L304 HydrophobicContact CB-CB 3.48Å; A254-L304 VanDerWaalsContact CB-CB 3.48Å; A254-L304 HydrophobicContact CB-CD1 4Å; A254-L304 HydrophobicContact CB-CG 4.37Å; G257-L304 CarbonylContact O-C 3.41Å; G257-L304 WeakPolarHBondContact O-CA 3.17Å; E258-L304 HydrophobicContact CG-CD2 4.09Å; L304-I311 CarbonylContact O-C 3.46Å; L304-I311 WeakPolarHBondContact O-CA 3.44Å; L304-L312 HydrophobicContact CB-CB 4.49Å; L304-L312 PolarHBondContact N-O 3.11Å; L304-L312 PolarHBondContact O-N 3.44Å
305	L	96.5	Very high	95.5	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	126.5	178.3	-67.6	170.3	0	0	0	111.8	A254 Q255 N256 G257 L259 W262 Y277 M309 I311 I460	A254-L305 CarbonylContact C-O 2.88Å; A254-L305 WeakPolarHBondContact CA-O 3.49Å; A254-L305 WeakPolarHBondContact CB-O 3.43Å; Q255-L305 PolarHBondContact N-O 3.25Å; N256-L305 HydrophobicContact CB-CB 3.77Å; N256-L305 PolarHBondContact N-O 3.29Å; G257-L305 PolarHBondContact O-N 3.49Å; L259-L305 HydrophobicContact CD1-CD1 4.04Å; L259-L305 HydrophobicContact CD1-CD2 4.36Å; L259-L305 HydrophobicContact CD1-CG 4.45Å; W262-L305 HydrophobicContact CG-CD1 4.12Å; Y277-L305 HydrophobicContact CD1-CD2 4.34Å; Y277-L305 HydrophobicContact CE1-CD2 3.61Å; L305-M309 HydrophobicContact CD1-CE 3.99Å; L305-I311 HydrophobicContact CD2-CG2 4.04Å; L305-I460 HydrophobicContact CD1-CD1 4.19Å
306	T	94.6	Very high	95.5	Very high	19 Å²	19	27.1 Å²	27.1	12%	0.117	13%	0.134	C	C	.	.			trans	-65.1	168.7	172.2	55.8	0	0	0	0	112.3	N256 E308 M309 H310 L312	N256-T306 PolarHBondContact ND2-O 3.42Å; T306-E308 PolarHBondContact O-N 3.24Å; T306-M309 PolarHBondContact O-N 3.33Å; T306-M309 PolarHBondContact OG1-N 3.2Å; T306-H310 WeakPolarHBondContact CG2-O 3.5Å; T306-H310 PolarHBondContact N-O 2.89Å; T306-H310 PolarHBondContact OG1-N 2.99Å; T306-H310 PolarHBondContact OG1-O 3.44Å; T306-L312 HydrophobicContact CG2-CD1 3.74Å; T306-L312 HydrophobicContact CG2-CD2 4.4Å; T306-L312 HydrophobicContact CG2-CG 3.76Å
307	N	91.6	Very high	95.4	Very high	95 Å²	95	23.9 Å²	23.9	51%	0.508	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-38.4	169.5	179.1	65.8	0	0	0	112.3	Q255 N256 M309	Q255-N307 HydrophobicContact CB-CB 4.12Å; Q255-N307 HydrophobicContact CG-CB 3.99Å; N256-N307 WeakPolarHBondContact ND2-CA 3.18Å; N256-N307 PolarHBondContact ND2-O 2.82Å; N307-M309 PolarHBondContact O-N 3.25Å
308	E	93.2	Very high	95.2	Very high	111 Å²	111	23.9 Å²	23.9	52%	0.519	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	0.8	179.1	-64.3	63.4	-134.6	0	0	113.4	T306 H310 P457	T306-E308 PolarHBondContact O-N 3.24Å; E308-H310 VanDerWaalsContact C-N 3.29Å; E308-H310 PolarHBondContact O-N 3.02Å; E308-P457 WeakPolarHBondContact O-CG 3.28Å
309	M	95.2	Very high	95.1	Very high	36 Å²	36	23.8 Å²	23.8	18%	0.177	12%	0.124	C	C	.	.	S	Bend	trans	68.7	11.8	-177.8	-59.3	-68.7	-64.2	0	0	115.8	N256 W262 Y277 L305 T306 N307 P457 I460	N256-M309 HydrophobicContact CB-SD 3.87Å; N256-M309 VanDerWaalsContact CG-SD 3.53Å; N256-M309 PolarHBondContact ND2-SD 2.86Å; W262-M309 HydrophobicContact CD2-CE 4.49Å; W262-M309 HydrophobicContact CH2-CE 4.07Å; W262-M309 HydrophobicContact CZ2-CE 3.93Å; W262-M309 HydrophobicContact CZ2-SD 4.2Å; W262-M309 HydrophobicContact CZ3-CE 4.43Å; Y277-M309 VanDerWaalsContact CE1-O 3.28Å; Y277-M309 WeakPolarHBondContact CE1-O 3.35Å; Y277-M309 PolarHBondContact OH-O 2.92Å; L305-M309 HydrophobicContact CD1-CE 3.99Å; T306-M309 PolarHBondContact O-N 3.33Å; T306-M309 PolarHBondContact OG1-N 3.2Å; N307-M309 PolarHBondContact O-N 3.25Å; M309-P457 HydrophobicContact CB-CB 4.11Å; M309-P457 HydrophobicContact CB-CG 4.18Å; M309-I460 HydrophobicContact CE-CB 4.4Å; M309-I460 HydrophobicContact CE-CD1 3.45Å; M309-I460 VanDerWaalsContact CE-CD1 3.45Å; M309-I460 HydrophobicContact CE-CG1 3.84Å
310	H	97.6	Very high	94.9	Very high	27 Å²	27	25 Å²	25	13%	0.125	13%	0.129	C	C	.	.			trans	-76.5	153	165.2	-68.3	-77.8	0	0	0	111.3	F233 E280 T306 E308 E455	F233-H310 HydrophobicContact CD1-CB 4.49Å; F233-H310 HydrophobicContact CE1-CB 4.17Å; F233-H310 AromaticContact CE1-ND1 3.81Å; E280-H310 IonicContact OE1-CE1 3.47Å; E280-H310 IonicContact OE1-CG 2.59Å; E280-H310 IonicContact OE1-ND1 2.67Å; E280-H310 PolarHBondContact OE1-ND1 3.44Å; T306-H310 WeakPolarHBondContact CG2-O 3.5Å; T306-H310 PolarHBondContact N-O 2.89Å; T306-H310 PolarHBondContact OG1-N 2.99Å; T306-H310 PolarHBondContact OG1-O 3.44Å; E308-H310 VanDerWaalsContact C-N 3.29Å; E308-H310 PolarHBondContact O-N 3.02Å; H310-E455 PolarHBondContact CE1-O 2.72Å
311	I	98.3	Very high	94.7	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	159.9	179.1	71.2	175.1	0	0	0	114.4	F233 Y277 E280 I281 A284 V303 L304 L305 V313	F233-I311 WeakPolarHBondContact CA-O 3.1Å; F233-I311 HydrophobicContact CB-CD1 4.12Å; F233-I311 HydrophobicContact CB-CG1 3.76Å; F233-I311 HydrophobicContact CD1-CG1 4.09Å; F233-I311 HydrophobicContact CG-CG1 4.02Å; Y277-I311 HydrophobicContact CD1-CG2 3.57Å; Y277-I311 HydrophobicContact CE1-CG2 4.04Å; E280-I311 VanDerWaalsContact C-CD1 3.5Å; E280-I311 HydrophobicContact CB-CD1 3.61Å; E280-I311 HydrophobicContact CB-CG1 3.83Å; E280-I311 WeakPolarHBondContact OE2-CG2 3.4Å; E280-I311 PolarHBondContact OE2-N 2.89Å; I281-I311 HydrophobicContact CB-CD1 4.23Å; I281-I311 HydrophobicContact CG1-CD1 3.59Å; A284-I311 HydrophobicContact CB-CD1 4.48Å; V303-I311 HydrophobicContact CG1-CB 3.76Å; V303-I311 HydrophobicContact CG1-CD1 4.37Å; V303-I311 HydrophobicContact CG1-CG2 3.58Å; L304-I311 CarbonylContact O-C 3.46Å; L304-I311 WeakPolarHBondContact O-CA 3.44Å; L305-I311 HydrophobicContact CD2-CG2 4.04Å; I311-V313 HydrophobicContact CD1-CG2 4.18Å
312	L	98.2	Very high	94.5	Very high	12 Å²	12	27.1 Å²	27.1	6%	0.063	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	115.2	156.4	-66.7	173.2	0	0	0	109.8	P232 V235 A254 L304 T306	P232-L312 VanDerWaalsContact O-CD2 3.24Å; P232-L312 WeakPolarHBondContact O-CD2 3.08Å; V235-L312 HydrophobicContact CG2-CB 3.76Å; V235-L312 HydrophobicContact CG2-CD1 4.5Å; A254-L312 HydrophobicContact CB-CD1 4.27Å; L304-L312 HydrophobicContact CB-CB 4.49Å; L304-L312 PolarHBondContact N-O 3.11Å; L304-L312 PolarHBondContact O-N 3.44Å; T306-L312 HydrophobicContact CG2-CD1 3.74Å; T306-L312 HydrophobicContact CG2-CD2 4.4Å; T306-L312 HydrophobicContact CG2-CG 3.76Å
313	V	98.4	Very high	93.9	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	134.1	171.8	178.7	0	0	0	0	110.2	F233 V235 A284 L288 H295 L298 I311 F316	F233-V313 PolarHBondContact O-N 3Å; V235-V313 WeakPolarHBondContact CB-O 3.4Å; V235-V313 WeakPolarHBondContact CG2-O 3.15Å; V235-V313 PolarHBondContact N-O 3.3Å; A284-V313 HydrophobicContact CB-CG2 3.72Å; L288-V313 HydrophobicContact CD1-CG1 4.43Å; H295-V313 WeakPolarHBondContact NE2-CG1 3.09Å; L298-V313 HydrophobicContact CD1-CG1 4.07Å; I311-V313 HydrophobicContact CD1-CG2 4.18Å; V313-F316 HydrophobicContact CG1-CZ 4.33Å
314	S	96	Very high	92.6	Very high	15 Å²	15	35.5 Å²	35.5	11%	0.105	18%	0.179	C	C	.	.			trans	-142.2	171.4	-168.3	71.7	0	0	0	0	113.2	H295 N302	H295-S314 PolarHBondContact CE1-O 3.32Å; H295-S314 PolarHBondContact NE2-O 3.22Å; N302-S314 PolarHBondContact O-N 3.25Å; N302-S314 PolarHBondContact O-OG 3.01Å
315	D	93.2	Very high	91.1	Very high	56 Å²	56	37.4 Å²	37.4	30%	0.299	21%	0.207	S	C	.	.			trans	61.2	81	-175.6	-165.3	3.8	0	0	0	115.7	H295 G317	H295-D315 PolarHBondContact CE1-O 3.13Å; D315-G317 VanDerWaalsContact C-N 3.34Å; D315-G317 PolarHBondContact OD1-N 3.48Å; D315-G317 VanDerWaalsContact OD1-N 3.16Å
316	F	94.7	Very high	89.5	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.229	C	C	.	.			trans	-89.5	9.8	176.8	-61.6	-79	0	0	0	114	E219 A222 M223 L226 V234 L288 I293 H295 V313 S318 A319	E219-F316 HydrophobicContact CG-CB 4.4Å; A222-F316 HydrophobicContact CB-CB 3.81Å; A222-F316 HydrophobicContact CB-CG 4.32Å; M223-F316 HydrophobicContact CG-CD2 3.85Å; L226-F316 HydrophobicContact CD1-CD1 4.1Å; L226-F316 HydrophobicContact CD1-CD2 4.18Å; L226-F316 HydrophobicContact CD1-CE1 3.74Å; L226-F316 HydrophobicContact CD1-CE2 3.83Å; L226-F316 HydrophobicContact CD1-CG 4.32Å; L226-F316 HydrophobicContact CD1-CZ 3.62Å; V234-F316 HydrophobicContact CG1-CE2 4.2Å; V234-F316 HydrophobicContact CG1-CZ 3.78Å; L288-F316 HydrophobicContact CD1-CE1 3.98Å; L288-F316 HydrophobicContact CD2-CE1 3.79Å; L288-F316 HydrophobicContact CD2-CZ 4.17Å; I293-F316 HydrophobicContact CG2-CD1 4.44Å; H295-F316 AromaticContact CD2-CE1 3.65Å; H295-F316 AromaticContact NE2-CE1 3.95Å; V313-F316 HydrophobicContact CG1-CZ 4.33Å; F316-S318 PolarHBondContact O-N 2.9Å; F316-A319 HydrophobicContact CB-CB 4.34Å; F316-A319 VanDerWaalsContact O-CB 3.27Å; F316-A319 WeakPolarHBondContact O-CB 3.36Å; F316-A319 PolarHBondContact O-N 3.08Å; F316-A319 VanDerWaalsContact O-N 3.13Å
317	G	91.3	Very high	88.1	Confident	4 Å²	4	41.5 Å²	41.5	4%	0.041	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-34.7	-178.7	0	0	0	0	0	113.2	Y215 R218 D315	Y215-G317 WeakPolarHBondContact CD1-O 3.37Å; R218-G317 PolarHBondContact NH1-O 3.16Å; D315-G317 VanDerWaalsContact C-N 3.34Å; D315-G317 PolarHBondContact OD1-N 3.48Å; D315-G317 VanDerWaalsContact OD1-N 3.16Å
318	S	89.8	Confident	86.7	Confident	15 Å²	15	39.4 Å²	39.4	11%	0.105	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	2	179.5	-71	0	0	0	0	114.7	R296 F316	R296-S318 PolarHBondContact NE-O 2.9Å; R296-S318 PolarHBondContact NH2-O 2.8Å; F316-S318 PolarHBondContact O-N 2.9Å
319	A	92.8	Very high	85.1	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.233	C	C	.	.			trans	-58.6	170.9	-175.7	0	0	0	0	0	114.3	R218 A222 I293 I294 H295 R296 F316	R218-A319 WeakPolarHBondContact CD-O 3.46Å; A222-A319 HydrophobicContact CB-CB 4.46Å; I293-A319 HydrophobicContact CG2-CB 4.23Å; I294-A319 CarbonylContact O-C 3.57Å; I294-A319 WeakPolarHBondContact O-CA 3.13Å; I294-A319 WeakPolarHBondContact O-CB 3.28Å; H295-A319 WeakPolarHBondContact O-CA 3.25Å; R296-A319 PolarHBondContact NH2-O 3.29Å; F316-A319 HydrophobicContact CB-CB 4.34Å; F316-A319 VanDerWaalsContact O-CB 3.27Å; F316-A319 WeakPolarHBondContact O-CB 3.36Å; F316-A319 PolarHBondContact O-N 3.08Å; F316-A319 VanDerWaalsContact O-N 3.13Å
320	K	91.3	Very high	83.2	Confident	45 Å²	45	43.2 Å²	43.2	20%	0.196	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	122.5	164.5	-179.3	-176.3	175.4	-160.2	0	108.4	I293 I294 L322 E360 A361	I293-K320 WeakPolarHBondContact CA-O 3.44Å; I294-K320 HydrophobicContact CB-CB 4.33Å; I294-K320 HydrophobicContact CD1-CD 4.23Å; I294-K320 PolarHBondContact N-O 3.37Å; I294-K320 PolarHBondContact O-N 3.4Å; K320-L322 HydrophobicContact CD-CD2 4.15Å; K320-L322 HydrophobicContact CG-CD2 4.37Å; K320-E360 IonicContact NZ-OE1 2.67Å; K320-E360 PolarHBondContact NZ-OE1 2.92Å; K320-A361 PolarHBondContact NZ-O 3.18Å
321	I	91.4	Very high	80.6	Confident	27 Å²	27	47 Å²	47	14%	0.138	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	114.8	174.4	-59.5	170	0	0	0	107.2	D221 A222 I225 G292 I327	D221-I321 HydrophobicContact CB-CD1 3.7Å; A222-I321 HydrophobicContact CB-CD1 4.39Å; I225-I321 HydrophobicContact CD1-CD1 4.05Å; I225-I321 HydrophobicContact CD1-CG1 4.34Å; I225-I321 HydrophobicContact CD1-CG2 3.75Å; G292-I321 CarbonylContact O-C 3.52Å; G292-I321 WeakPolarHBondContact O-CA 3.35Å; I321-I327 HydrophobicContact CD1-CD1 4.04Å
322	L	87.8	Confident	78	Confident	55 Å²	55	53.3 Å²	53.3	29%	0.288	30%	0.304	S	S	.	.	S	Bend	trans	-75.2	-31.2	-176	-65.6	179.7	0	0	0	112.9	G292 I294 K320 P324	G292-L322 PolarHBondContact O-N 3.19Å; I294-L322 HydrophobicContact CD1-CD1 4.17Å; I294-L322 HydrophobicContact CD1-CD2 3.77Å; I294-L322 HydrophobicContact CD1-CG 4.17Å; I294-L322 HydrophobicContact CG1-CD1 4.28Å; I294-L322 HydrophobicContact CG1-CD2 4.5Å; I294-L322 HydrophobicContact CG1-CG 4.39Å; K320-L322 HydrophobicContact CD-CD2 4.15Å; K320-L322 HydrophobicContact CG-CD2 4.37Å; L322-P324 WeakPolarHBondContact O-CD 3.4Å
323	Y	84.4	Confident	75.4	Confident	142 Å²	142	54.7 Å²	54.7	56%	0.557	31%	0.314	S	S	*	.			trans	-121.9	75.7	-178.4	-46.7	-62	0	0	0	111.1	G325 L326	Y323-G325 PolarHBondContact O-N 2.89Å; Y323-L326 HydrophobicContact CD2-CD1 4.37Å; Y323-L326 WeakPolarHBondContact O-CB 3.5Å; Y323-L326 WeakPolarHBondContact O-CG 3.16Å; Y323-L326 PolarHBondContact O-N 3.15Å
324	P	70.1	Confident	72.4	Confident	48 Å²	48	62 Å²	62	31%	0.312	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-57.5	-22.5	-177.1	-26.6	35.2	0	0	0	114.9	L322 L326 I327	L322-P324 WeakPolarHBondContact O-CD 3.4Å; P324-L326 PolarHBondContact O-N 2.94Å; P324-L326 VanDerWaalsContact O-N 3.15Å; P324-I327 WeakPolarHBondContact O-CB 3.33Å; P324-I327 WeakPolarHBondContact O-CG1 3.32Å; P324-I327 PolarHBondContact O-N 3.04Å; P324-I327 VanDerWaalsContact O-N 3.14Å
325	G	66.3	Low	69.7	Low	78 Å²	78	67 Å²	67	80%	0.804	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-63.5	-10.7	174.6	0	0	0	0	0	114.9	Y323 I327	Y323-G325 PolarHBondContact O-N 2.89Å; G325-I327 VanDerWaalsContact C-N 3.32Å
326	L	63.1	Low	66.8	Low	86 Å²	86	70.6 Å²	70.6	45%	0.45	40%	0.401	S	S	.	.	G	3₁₀ helix	trans	-79.1	-11.9	173.4	-61	178.8	0	0	0	113.5	R228 Y323 P324 P328	R228-L326 PolarHBondContact NH1-O 3.31Å; Y323-L326 HydrophobicContact CD2-CD1 4.37Å; Y323-L326 WeakPolarHBondContact O-CB 3.5Å; Y323-L326 WeakPolarHBondContact O-CG 3.16Å; Y323-L326 PolarHBondContact O-N 3.15Å; P324-L326 PolarHBondContact O-N 2.94Å; P324-L326 VanDerWaalsContact O-N 3.15Å; L326-P328 WeakPolarHBondContact O-CD 3.33Å
327	I	66.1	Low	64.1	Low	19 Å²	19	76.2 Å²	76.2	10%	0.097	43%	0.428	C	S	.	.	S	Bend	trans	-82.2	117.1	-178.4	-53.9	166.2	0	0	0	109.6	D221 I225 I321 P324 G325 R330	D221-I327 HydrophobicContact CB-CD1 3.98Å; D221-I327 HydrophobicContact CB-CG1 4.45Å; I225-I327 HydrophobicContact CD1-CG1 4.05Å; I321-I327 HydrophobicContact CD1-CD1 4.04Å; P324-I327 WeakPolarHBondContact O-CB 3.33Å; P324-I327 WeakPolarHBondContact O-CG1 3.32Å; P324-I327 PolarHBondContact O-N 3.04Å; P324-I327 VanDerWaalsContact O-N 3.14Å; G325-I327 VanDerWaalsContact C-N 3.32Å; I327-R330 HydrophobicContact CB-CB 4.25Å; I327-R330 HydrophobicContact CG2-CB 3.87Å
328	P	61.4	Low	61.4	Low	52 Å²	52	80.6 Å²	80.6	34%	0.338	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	145.8	-179.5	-21.5	35.5	0	0	0	112.4	L326 R330	L326-P328 WeakPolarHBondContact O-CD 3.33Å; P328-R330 PolarHBondContact O-N 2.84Å
329	N	59.7	Low	58.8	Low	149 Å²	149	85.1 Å²	85.1	80%	0.797	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.5	3.6	170.2	-55.3	-29.6	0	0	0	116.2	P331	N329-P331 WeakPolarHBondContact O-CD 3.36Å
330	R	55.2	Low	56	Low	77 Å²	77	92.4 Å²	92.4	29%	0.291	52%	0.519	S	S	.	.			trans	-79.8	117.1	170.5	-163.6	-174.8	-124.2	-81.6	5.1	107.7	D221 I327 P328 T332	D221-R330 IonicContact OD2-CZ 3.18Å; D221-R330 IonicContact OD2-NE 2.91Å; D221-R330 PolarHBondContact OD2-NE 2.75Å; D221-R330 IonicContact OD2-NH2 2.67Å; D221-R330 PolarHBondContact OD2-NH2 3.34Å; I327-R330 HydrophobicContact CB-CB 4.25Å; I327-R330 HydrophobicContact CG2-CB 3.87Å; P328-R330 PolarHBondContact O-N 2.84Å; R330-T332 PolarHBondContact O-N 3.46Å
331	P	43.5	Very low	53.3	Low	107 Å²	107	98.5 Å²	98.5	70%	0.695	54%	0.54	S	S	*	.			trans	-54.9	134.1	167.9	-19.7	31.7	0	0	0	107.9	N329 P333	N329-P331 WeakPolarHBondContact O-CD 3.36Å; P331-P333 WeakPolarHBondContact O-CD 3.34Å
332	T	43.3	Very low	50.7	Low	133 Å²	133	100.3 Å²	100.3	82%	0.816	56%	0.559	S	S	*	*			trans	-45.8	106.6	-179.2	42.7	0	0	0	0	109.4	R330	R330-T332 PolarHBondContact O-N 3.46Å
333	P	43	Very low	48.3	Very low	41 Å²	41	101.1 Å²	101.1	27%	0.266	57%	0.57	S	S	.	*			trans	-72.6	141.9	-165.1	27.5	-34.4	0	0	0	109.3	P331 L335	P331-P333 WeakPolarHBondContact O-CD 3.34Å; P333-L335 HydrophobicContact CB-CD1 4.26Å; P333-L335 HydrophobicContact CB-CG 3.94Å; P333-L335 HydrophobicContact CG-CD1 3.68Å; P333-L335 HydrophobicContact CG-CG 3.85Å; P333-L335 PolarHBondContact O-N 3.16Å
334	L	35.1	Very low	46.1	Very low	152 Å²	152	98.7 Å²	98.7	80%	0.796	56%	0.562	S	S	*	*			trans	-61.9	77.7	170.8	-72.7	159.1	0	0	0	110
335	L	39.3	Very low	44.4	Very low	120 Å²	120	99.2 Å²	99.2	63%	0.628	56%	0.564	S	S	*	*			trans	-105.6	34	-179.9	-65.8	-177.3	0	0	0	112.5	P333 Q337	P333-L335 HydrophobicContact CB-CD1 4.26Å; P333-L335 HydrophobicContact CB-CG 3.94Å; P333-L335 HydrophobicContact CG-CD1 3.68Å; P333-L335 HydrophobicContact CG-CG 3.85Å; P333-L335 PolarHBondContact O-N 3.16Å; L335-Q337 PolarHBondContact O-N 2.91Å
336	T	33.3	Very low	43.5	Very low	133 Å²	133	96.6 Å²	96.6	82%	0.816	54%	0.537	S	S	*	.			trans	-87.1	39.1	148.3	50.7	0	0	0	0	111.1
337	Q	38.7	Very low	43.5	Very low	118 Å²	118	94.7 Å²	94.7	55%	0.551	53%	0.529	S	S	*	.	S	Bend	trans	-80.2	121.3	150.8	-70.5	-117	25.5	0	0	106	L335	L335-Q337 PolarHBondContact O-N 2.91Å
338	P	33.1	Very low	44.2	Very low	95 Å²	95	93.9 Å²	93.9	62%	0.617	53%	0.525	S	S	*	.			trans	-56.2	157.2	170.8	26.5	-34.4	0	0	0	108.8	K340	P338-K340 PolarHBondContact O-N 3.07Å
339	S	36	Very low	45.6	Very low	110 Å²	110	93.8 Å²	93.8	77%	0.769	52%	0.52	S	S	*	.			trans	-63.3	64	178	47.4	0	0	0	0	112.6	R341	S339-R341 PolarHBondContact O-N 2.6Å
340	K	33.7	Very low	47.2	Very low	154 Å²	154	87.1 Å²	87.1	67%	0.67	48%	0.484	S	S	*	.			trans	-54.7	113.3	165.1	-74.3	174.7	-178.9	161	0	105.8	P338 A342	P338-K340 PolarHBondContact O-N 3.07Å; K340-A342 PolarHBondContact O-N 2.85Å
341	R	34.2	Very low	49	Very low	173 Å²	173	84.2 Å²	84.2	65%	0.653	48%	0.475	S	S	*	.			trans	-10.7	112.1	-179.2	-69.5	176.3	174.1	167.8	-4.2	111.6	N36 S339 S343	N36-R341 PolarHBondContact O-NH1 3.43Å; N36-R341 VanDerWaalsContact O-NH1 3.17Å; S339-R341 PolarHBondContact O-N 2.6Å; R341-S343 PolarHBondContact O-N 2.87Å
342	A	36.6	Very low	51.3	Low	64 Å²	64	79.3 Å²	79.3	53%	0.529	44%	0.443	S	S	.	.			trans	-46.9	116.3	170.5	0	0	0	0	0	107.1	K340 F344	K340-A342 PolarHBondContact O-N 2.85Å; A342-F344 PolarHBondContact O-N 2.9Å
343	S	38.2	Very low	53.7	Low	73 Å²	73	73.6 Å²	73.6	51%	0.51	41%	0.408	S	S	.	.			trans	-61.8	121.4	-170.9	-10.2	0	0	0	0	106.4	Y215 R341 V345	Y215-S343 WeakPolarHBondContact OH-CB 3.17Å; Y215-S343 PolarHBondContact OH-O 3.03Å; Y215-S343 PolarHBondContact OH-OG 3.46Å; R341-S343 PolarHBondContact O-N 2.87Å; S343-V345 PolarHBondContact O-N 3.19Å
344	F	38.1	Very low	55.9	Low	91 Å²	91	71.8 Å²	71.8	40%	0.399	40%	0.396	S	S	.	.			trans	-66.8	110.4	-170.8	-174.1	-99.4	0	0	0	109.1	A342 G346 A348 V351 F393	A342-F344 PolarHBondContact O-N 2.9Å; F344-G346 WeakPolarHBondContact CE1-O 3.12Å; F344-G346 WeakPolarHBondContact CZ-O 3.34Å; F344-A348 HydrophobicContact CZ-CB 4.01Å; F344-V351 HydrophobicContact CE2-CB 4.5Å; F344-V351 HydrophobicContact CE2-CG1 4.39Å; F344-V351 HydrophobicContact CE2-CG2 4.41Å; F344-F393 HydrophobicContact CD2-CZ 4.49Å; F344-F393 AromaticContact CE1-CZ 3.91Å; F344-F393 HydrophobicContact CE1-CZ 3.91Å; F344-F393 AromaticContact CE2-CE1 3.97Å; F344-F393 HydrophobicContact CE2-CE1 3.97Å; F344-F393 AromaticContact CE2-CZ 3.86Å; F344-F393 HydrophobicContact CE2-CZ 3.86Å; F344-F393 AromaticContact CZ-CE1 3.76Å; F344-F393 HydrophobicContact CZ-CE1 3.76Å; F344-F393 AromaticContact CZ-CZ 3.55Å; F344-F393 HydrophobicContact CZ-CZ 3.55Å
345	V	34.2	Very low	58.4	Low	59 Å²	59	66.3 Å²	66.3	36%	0.358	37%	0.369	S	S	.	.			trans	-143.4	88.9	178.8	-173.1	0	0	0	0	105.5	K212 Y215 S343	K212-V345 VanDerWaalsContact NZ-CG2 3.34Å; Y215-V345 HydrophobicContact CE1-CG2 4.35Å; S343-V345 PolarHBondContact O-N 3.19Å
346	G	46.6	Very low	60.5	Low	23 Å²	23	62.5 Å²	62.5	24%	0.237	35%	0.349	C	S	.	.	S	Bend	trans	173.8	155.3	-175.3	0	0	0	0	0	110.6	D297 F344 A348	D297-G346 WeakPolarHBondContact OD1-CA 3.17Å; F344-G346 WeakPolarHBondContact CE1-O 3.12Å; F344-G346 WeakPolarHBondContact CZ-O 3.34Å; G346-A348 PolarHBondContact O-N 2.87Å
347	T	63.3	Low	62.6	Low	45 Å²	45	59.5 Å²	59.5	28%	0.276	33%	0.333	S	S	.	.			trans	-72.5	119.5	179.6	-51.4	0	0	0	0	108.5	E301 Q349 Y350	E301-T347 PolarHBondContact OE1-OG1 3.06Å; T347-Q349 HydrophobicContact CG2-CB 4.37Å; T347-Q349 HydrophobicContact CG2-CG 4.34Å; T347-Q349 PolarHBondContact O-N 3.26Å; T347-Y350 HydrophobicContact CG2-CD2 4.33Å; T347-Y350 HydrophobicContact CG2-CE2 3.95Å; T347-Y350 PolarHBondContact O-N 2.8Å
348	A	82.3	Confident	63.9	Low	2 Å²	2	56.8 Å²	56.8	2%	0.017	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54	-9.2	-174	0	0	0	0	0	116.9	F344 G346 V351 E389 I392 F393 I396	F344-A348 HydrophobicContact CZ-CB 4.01Å; G346-A348 PolarHBondContact O-N 2.87Å; A348-V351 WeakPolarHBondContact O-CG1 3.47Å; A348-E389 HydrophobicContact CB-CB 3.98Å; A348-E389 HydrophobicContact CB-CG 3.87Å; A348-I392 HydrophobicContact CB-CB 4.47Å; A348-I392 HydrophobicContact CB-CD1 4.28Å; A348-I392 HydrophobicContact CB-CG2 4.28Å; A348-I392 WeakPolarHBondContact O-CG2 3.45Å; A348-F393 HydrophobicContact CB-CD1 4.34Å; A348-F393 HydrophobicContact CB-CE1 3.51Å; A348-F393 HydrophobicContact CB-CZ 4.06Å; A348-I396 VanDerWaalsContact O-CD1 3.24Å; A348-I396 WeakPolarHBondContact O-CD1 3.43Å
349	Q	89.8	Confident	65.7	Low	51 Å²	51	57.8 Å²	57.8	24%	0.238	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-19.5	-174.2	-64.8	170.9	-28.5	0	0	114.2	T347 P382 I392	T347-Q349 HydrophobicContact CG2-CB 4.37Å; T347-Q349 HydrophobicContact CG2-CG 4.34Å; T347-Q349 PolarHBondContact O-N 3.26Å; Q349-P382 HydrophobicContact CB-CB 4.03Å; Q349-P382 HydrophobicContact CB-CG 4.14Å; Q349-P382 VanDerWaalsContact CD-CG 3.47Å; Q349-P382 HydrophobicContact CG-CB 4.48Å; Q349-P382 HydrophobicContact CG-CG 4.09Å; Q349-I392 HydrophobicContact CG-CD1 4.13Å
350	Y	93.9	Very high	67.6	Low	9 Å²	9	59.6 Å²	59.6	4%	0.035	32%	0.319	C	S	.	.	S	Bend	trans	-114.7	-6.8	-175.4	-44.5	-84.3	0	0	0	113.8	K299 P300 T347 C372 M373 Q376	K299-Y350 HydrophobicContact CB-CD1 4.25Å; K299-Y350 HydrophobicContact CB-CD2 3.44Å; K299-Y350 VanDerWaalsContact CB-CD2 3.44Å; K299-Y350 HydrophobicContact CB-CE1 4.35Å; K299-Y350 HydrophobicContact CB-CE2 3.53Å; K299-Y350 HydrophobicContact CB-CG 3.82Å; K299-Y350 HydrophobicContact CD-CD2 4.31Å; K299-Y350 HydrophobicContact CD-CE2 4.38Å; K299-Y350 HydrophobicContact CG-CD2 4.5Å; P300-Y350 VanDerWaalsContact CD-CZ 3.49Å; P300-Y350 WeakPolarHBondContact CD-OH 3.08Å; P300-Y350 HydrophobicContact CG-CE1 4.33Å; T347-Y350 HydrophobicContact CG2-CD2 4.33Å; T347-Y350 HydrophobicContact CG2-CE2 3.95Å; T347-Y350 PolarHBondContact O-N 2.8Å; Y350-C372 HydrophobicContact CD1-CB 3.82Å; Y350-M373 HydrophobicContact CD1-CG 4.35Å; Y350-M373 HydrophobicContact CE1-CG 4.37Å; Y350-Q376 VanDerWaalsContact CE1-OE1 3.25Å; Y350-Q376 PolarHBondContact OH-NE2 3.38Å; Y350-Q376 PolarHBondContact OH-OE1 2.88Å
351	V	92.2	Very high	69.7	Low	16 Å²	16	52.8 Å²	52.8	10%	0.097	29%	0.291	C	S	.	.			trans	-68.3	136.8	-179.1	66.7	0	0	0	0	111.2	F344 A348 V355 L356 W368 F393 I396	F344-V351 HydrophobicContact CE2-CB 4.5Å; F344-V351 HydrophobicContact CE2-CG1 4.39Å; F344-V351 HydrophobicContact CE2-CG2 4.41Å; A348-V351 WeakPolarHBondContact O-CG1 3.47Å; V351-V355 HydrophobicContact CG2-CB 3.86Å; V351-V355 HydrophobicContact CG2-CG1 3.59Å; V351-L356 HydrophobicContact CG1-CD1 4.02Å; V351-L356 HydrophobicContact CG1-CD2 3.69Å; V351-L356 HydrophobicContact CG1-CG 3.85Å; V351-L356 HydrophobicContact CG2-CD2 3.99Å; V351-L356 HydrophobicContact CG2-CG 4.04Å; V351-W368 PolarHBondContact O-NE1 3.49Å; V351-F393 HydrophobicContact CG1-CD1 4.33Å; V351-F393 HydrophobicContact CG1-CE1 4.11Å; V351-I396 HydrophobicContact CG1-CD1 3.86Å
352	S	93.2	Very high	72.2	Confident	3 Å²	3	47.6 Å²	47.6	2%	0.021	28%	0.278	C	S	.	.			trans	-82.6	153.1	179.9	69.1	0	0	0	0	112.6	E354 V355 L356 C365	S352-E354 VanDerWaalsContact C-N 3.29Å; S352-E354 VanDerWaalsContact CB-CD 3.5Å; S352-E354 VanDerWaalsContact CB-OE1 3.22Å; S352-E354 WeakPolarHBondContact CB-OE1 3.47Å; S352-E354 VanDerWaalsContact CB-OE2 3.31Å; S352-E354 WeakPolarHBondContact CB-OE2 3.42Å; S352-E354 PolarHBondContact O-N 3.33Å; S352-E354 PolarHBondContact OG-OE1 2.9Å; S352-E354 PolarHBondContact OG-OE2 3.37Å; S352-V355 PolarHBondContact O-N 2.92Å; S352-V355 VanDerWaalsContact O-N 3.14Å; S352-V355 VanDerWaalsContact OG-CG2 3.3Å; S352-V355 WeakPolarHBondContact OG-CG2 3.36Å; S352-L356 PolarHBondContact O-N 3.49Å; S352-L356 VanDerWaalsContact O-N 3.12Å; S352-C365 VanDerWaalsContact OG-CB 3.24Å; S352-C365 WeakPolarHBondContact OG-CB 3.37Å
353	P	92.9	Very high	74.9	Confident	13 Å²	13	45.9 Å²	45.9	8%	0.084	26%	0.262	C	S	.	.	H	α-helix	trans	-62.9	-30.1	-175.8	24.2	-34.8	0	0	0	113.9	L356 S357 W368 I396 L421	P353-L356 PolarHBondContact O-N 2.82Å; P353-S357 WeakPolarHBondContact O-CB 3.45Å; P353-S357 PolarHBondContact O-N 2.85Å; P353-S357 PolarHBondContact O-OG 2.8Å; P353-W368 HydrophobicContact CG-CE3 4.39Å; P353-W368 HydrophobicContact CG-CH2 4.22Å; P353-W368 HydrophobicContact CG-CZ3 4.07Å; P353-I396 HydrophobicContact CB-CG2 4.1Å; P353-L421 HydrophobicContact CB-CD2 4.21Å; P353-L421 HydrophobicContact CG-CD2 4.04Å
354	E	90.1	Very high	77.6	Confident	3 Å²	3	42.6 Å²	42.6	1%	0.014	24%	0.239	C	C	.	.	H	α-helix	trans	-68.8	-37.6	174.5	71	-77	-176.2	0	0	112.3	S352 S357 S358 K359 C365 P423 R426	S352-E354 VanDerWaalsContact C-N 3.29Å; S352-E354 VanDerWaalsContact CB-CD 3.5Å; S352-E354 VanDerWaalsContact CB-OE1 3.22Å; S352-E354 WeakPolarHBondContact CB-OE1 3.47Å; S352-E354 VanDerWaalsContact CB-OE2 3.31Å; S352-E354 WeakPolarHBondContact CB-OE2 3.42Å; S352-E354 PolarHBondContact O-N 3.33Å; S352-E354 PolarHBondContact OG-OE1 2.9Å; S352-E354 PolarHBondContact OG-OE2 3.37Å; E354-S357 WeakPolarHBondContact CA-OG 3.36Å; E354-S357 PolarHBondContact O-N 2.84Å; E354-S357 PolarHBondContact O-OG 2.74Å; E354-S358 PolarHBondContact O-N 3.48Å; E354-K359 HydrophobicContact CB-CB 3.97Å; E354-K359 HydrophobicContact CB-CD 4.21Å; E354-K359 PolarHBondContact O-N 2.85Å; E354-C365 VanDerWaalsContact OE1-CA 3.31Å; E354-C365 WeakPolarHBondContact OE1-CA 3.39Å; E354-C365 VanDerWaalsContact OE1-CB 3.23Å; E354-C365 WeakPolarHBondContact OE1-CB 3.45Å; E354-P423 HydrophobicContact CB-CG 3.88Å; E354-P423 HydrophobicContact CG-CG 3.75Å; E354-R426 VanDerWaalsContact CD-NH1 3.34Å; E354-R426 IonicContact OE1-CZ 2.68Å; E354-R426 IonicContact OE1-NH1 2.97Å; E354-R426 PolarHBondContact OE1-NH1 2.77Å; E354-R426 IonicContact OE1-NH2 3.51Å; E354-R426 IonicContact OE2-CZ 2.69Å; E354-R426 IonicContact OE2-NH1 2.74Å; E354-R426 PolarHBondContact OE2-NH1 3.13Å; E354-R426 IonicContact OE2-NH2 2.59Å; E354-R426 PolarHBondContact OE2-NH2 3.44Å
355	V	86.2	Confident	80.3	Confident	37 Å²	37	38.5 Å²	38.5	22%	0.224	22%	0.222	C	C	.	.	H	α-helix	trans	-66.8	-41.4	174.7	172.9	0	0	0	0	110.4	V351 S352 S358 A361 C365	V351-V355 HydrophobicContact CG2-CB 3.86Å; V351-V355 HydrophobicContact CG2-CG1 3.59Å; S352-V355 PolarHBondContact O-N 2.92Å; S352-V355 VanDerWaalsContact O-N 3.14Å; S352-V355 VanDerWaalsContact OG-CG2 3.3Å; S352-V355 WeakPolarHBondContact OG-CG2 3.36Å; V355-S358 PolarHBondContact O-N 3.09Å; V355-A361 HydrophobicContact CG2-CB 3.89Å; V355-C365 HydrophobicContact CG2-CB 4.16Å
356	L	84.5	Confident	83.2	Confident	41 Å²	41	35.8 Å²	35.8	22%	0.215	21%	0.205	C	C	.	.	H	α-helix	trans	-63.5	-45.1	174.6	-69.8	178.8	0	0	0	112.8	V351 S352 P353 S358 F393 I396 T397	V351-L356 HydrophobicContact CG1-CD1 4.02Å; V351-L356 HydrophobicContact CG1-CD2 3.69Å; V351-L356 HydrophobicContact CG1-CG 3.85Å; V351-L356 HydrophobicContact CG2-CD2 3.99Å; V351-L356 HydrophobicContact CG2-CG 4.04Å; S352-L356 PolarHBondContact O-N 3.49Å; S352-L356 VanDerWaalsContact O-N 3.12Å; P353-L356 PolarHBondContact O-N 2.82Å; L356-S358 PolarHBondContact O-N 3.24Å; L356-F393 HydrophobicContact CD1-CB 3.98Å; L356-F393 HydrophobicContact CD1-CD1 3.74Å; L356-F393 HydrophobicContact CD1-CG 4.09Å; L356-F393 HydrophobicContact CD2-CD1 3.49Å; L356-F393 VanDerWaalsContact CD2-CD1 3.49Å; L356-F393 HydrophobicContact CD2-CD2 4.43Å; L356-F393 HydrophobicContact CD2-CE1 3.61Å; L356-F393 HydrophobicContact CD2-CG 3.94Å; L356-F393 HydrophobicContact CD2-CZ 4.16Å; L356-F393 HydrophobicContact CG-CD1 4.28Å; L356-I396 HydrophobicContact CD1-CB 4.1Å; L356-I396 HydrophobicContact CD1-CD1 4.23Å; L356-I396 HydrophobicContact CD1-CG2 3.69Å; L356-T397 HydrophobicContact CD1-CG2 4.47Å
357	S	77.1	Confident	85.7	Confident	69 Å²	69	34.9 Å²	34.9	48%	0.483	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	1.1	-179.6	54.7	0	0	0	0	114.1	P353 E354 K359	P353-S357 WeakPolarHBondContact O-CB 3.45Å; P353-S357 PolarHBondContact O-N 2.85Å; P353-S357 PolarHBondContact O-OG 2.8Å; E354-S357 WeakPolarHBondContact CA-OG 3.36Å; E354-S357 PolarHBondContact O-N 2.84Å; E354-S357 PolarHBondContact O-OG 2.74Å; S357-K359 PolarHBondContact O-N 3.24Å
358	S	65.4	Low	87.3	Confident	62 Å²	62	32.7 Å²	32.7	43%	0.434	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.2	22.6	-175.4	-52.5	0	0	0	0	113.9	E354 V355 L356	E354-S358 PolarHBondContact O-N 3.48Å; V355-S358 PolarHBondContact O-N 3.09Å; L356-S358 PolarHBondContact O-N 3.24Å
359	K	71.1	Confident	88.1	Confident	116 Å²	116	32.8 Å²	32.8	50%	0.504	18%	0.182	S	C	.	.	P	Polyproline II helix	trans	-63.9	164.8	162.5	-76.3	-177.4	174.7	-172.3	0	109	E354 S357 A361 E422	E354-K359 HydrophobicContact CB-CB 3.97Å; E354-K359 HydrophobicContact CB-CD 4.21Å; E354-K359 PolarHBondContact O-N 2.85Å; S357-K359 PolarHBondContact O-N 3.24Å; K359-A361 PolarHBondContact O-N 2.71Å; K359-E422 IonicContact NZ-OE2 3.29Å; K359-E422 PolarHBondContact NZ-OE2 3.09Å
360	E	76.8	Confident	88.5	Confident	148 Å²	148	30.4 Å²	30.4	69%	0.692	17%	0.171	S	C	*	.	P	Polyproline II helix	trans	-67.3	119.2	174	178.7	154.4	-155.4	0	0	110.9	K320 T362	K320-E360 IonicContact NZ-OE1 2.67Å; K320-E360 PolarHBondContact NZ-OE1 2.92Å; E360-T362 PolarHBondContact O-N 3.49Å
361	A	76.2	Confident	88.7	Confident	10 Å²	10	30 Å²	30	8%	0.083	17%	0.169	C	C	.	.	P	Polyproline II helix	trans	-69.1	124.7	173.8	0	0	0	0	0	110.7	K320 V355 K359	K320-A361 PolarHBondContact NZ-O 3.18Å; V355-A361 HydrophobicContact CG2-CB 3.89Å; K359-A361 PolarHBondContact O-N 2.71Å
362	T	87.6	Confident	89	Confident	65 Å²	65	29.2 Å²	29.2	40%	0.399	17%	0.165	S	C	.	.			trans	-105.4	173.2	172.4	67.6	0	0	0	0	110.1	I294 E360 S364 C365	I294-T362 VanDerWaalsContact CD1-C 3.48Å; E360-T362 PolarHBondContact O-N 3.49Å; T362-S364 PolarHBondContact O-N 3.27Å; T362-S364 WeakPolarHBondContact OG1-CB 3.48Å; T362-S364 PolarHBondContact OG1-N 3.4Å; T362-C365 PolarHBondContact O-N 3.23Å; T362-C365 VanDerWaalsContact O-N 3.12Å; T362-C365 PolarHBondContact O-SG 2.65Å
363	C	92.9	Very high	89.2	Confident	27 Å²	27	29.1 Å²	29.1	18%	0.182	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-23.9	174.8	-56.8	0	0	0	0	113.3	H289 I294 C365 D366	H289-C363 PolarHBondContact NE2-O 3.34Å; I294-C363 HydrophobicContact CG1-CB 4.46Å; C363-C365 PolarHBondContact O-N 3Å; C363-D366 PolarHBondContact O-N 3.01Å; C363-D366 VanDerWaalsContact O-N 3.16Å
364	S	94.5	Very high	89.4	Confident	4 Å²	4	28.5 Å²	28.5	3%	0.028	16%	0.16	C	C	.	.	H	α-helix	trans	-65.8	-15	179.6	-168.2	0	0	0	0	114.5	T362 D366 W368 P423 R426	T362-S364 PolarHBondContact O-N 3.27Å; T362-S364 WeakPolarHBondContact OG1-CB 3.48Å; T362-S364 PolarHBondContact OG1-N 3.4Å; S364-D366 VanDerWaalsContact C-N 3.31Å; S364-W368 PolarHBondContact O-N 3.46Å; S364-P423 WeakPolarHBondContact CB-O 3.09Å; S364-P423 PolarHBondContact OG-O 2.94Å; S364-R426 PolarHBondContact O-NH1 3.15Å; S364-R426 WeakPolarHBondContact OG-CD 3.43Å
365	C	94.5	Very high	89.8	Confident	6 Å²	6	28.7 Å²	28.7	4%	0.041	16%	0.16	C	C	.	.	H	α-helix	trans	-68.4	-30.4	171.9	69.7	0	0	0	0	112.8	I294 S352 E354 V355 T362 C363 W368 A369	I294-C365 WeakPolarHBondContact CG2-SG 3.44Å; S352-C365 VanDerWaalsContact OG-CB 3.24Å; S352-C365 WeakPolarHBondContact OG-CB 3.37Å; E354-C365 VanDerWaalsContact OE1-CA 3.31Å; E354-C365 WeakPolarHBondContact OE1-CA 3.39Å; E354-C365 VanDerWaalsContact OE1-CB 3.23Å; E354-C365 WeakPolarHBondContact OE1-CB 3.45Å; V355-C365 HydrophobicContact CG2-CB 4.16Å; T362-C365 PolarHBondContact O-N 3.23Å; T362-C365 VanDerWaalsContact O-N 3.12Å; T362-C365 PolarHBondContact O-SG 2.65Å; C363-C365 PolarHBondContact O-N 3Å; C365-W368 WeakPolarHBondContact O-CB 3.36Å; C365-W368 PolarHBondContact O-N 3.24Å; C365-A369 PolarHBondContact O-N 3.24Å
366	D	96.8	Very high	90.3	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.005	15%	0.152	C	C	.	.	H	α-helix	trans	-77.4	-28.7	-179.4	-64.5	-15.7	0	0	0	111.2	L285 I294 H295 R296 C363 S364 A369 L370	L285-D366 HydrophobicContact CD1-CB 3.97Å; L285-D366 HydrophobicContact CD2-CB 3.72Å; L285-D366 HydrophobicContact CG-CB 4.46Å; I294-D366 WeakPolarHBondContact CG2-OD2 3.47Å; H295-D366 WeakPolarHBondContact CB-OD2 3.38Å; H295-D366 PolarHBondContact N-OD2 3.37Å; R296-D366 PolarHBondContact N-OD1 3.19Å; C363-D366 PolarHBondContact O-N 3.01Å; C363-D366 VanDerWaalsContact O-N 3.16Å; S364-D366 VanDerWaalsContact C-N 3.31Å; D366-A369 PolarHBondContact O-N 3.31Å; D366-L370 PolarHBondContact O-N 3.17Å
367	Y	98.1	Very high	90.8	Very high	4 Å²	4	25.5 Å²	25.5	2%	0.016	14%	0.142	C	C	.	.	H	α-helix	trans	-70.9	-34.1	170.7	-59.3	-45.9	0	0	0	112.8	L282 L285 H289 L370 G371 G428 L438	L282-Y367 HydrophobicContact CD1-CD1 4.49Å; L282-Y367 HydrophobicContact CD1-CE1 3.94Å; L285-Y367 HydrophobicContact CD1-CD1 4.19Å; L285-Y367 HydrophobicContact CD1-CE1 4.37Å; H289-Y367 AromaticContact CE1-CE1 3.73Å; H289-Y367 AromaticContact CE1-CE2 3.79Å; H289-Y367 AromaticContact CE1-CZ 3.04Å; H289-Y367 PolarHBondContact CE1-OH 3.09Å; H289-Y367 AromaticContact ND1-CZ 3.66Å; H289-Y367 PolarHBondContact ND1-OH 3.47Å; H289-Y367 AromaticContact NE2-CD1 3.65Å; H289-Y367 AromaticContact NE2-CD2 3.88Å; H289-Y367 AromaticContact NE2-CE1 3.2Å; H289-Y367 WeakPolarHBondContact NE2-CE1 3.42Å; H289-Y367 AromaticContact NE2-CE2 3.44Å; H289-Y367 WeakPolarHBondContact NE2-CE2 3.24Å; H289-Y367 AromaticContact NE2-CG 3.96Å; H289-Y367 AromaticContact NE2-CZ 3.08Å; Y367-L370 WeakPolarHBondContact O-CB 3.49Å; Y367-L370 PolarHBondContact O-N 3.11Å; Y367-G371 PolarHBondContact O-N 2.93Å; Y367-G428 WeakPolarHBondContact CE2-O 3.32Å; Y367-L438 HydrophobicContact CD1-CD2 3.74Å; Y367-L438 HydrophobicContact CE1-CD2 3.97Å; Y367-L438 HydrophobicContact CG-CD2 4.33Å
368	W	97.7	Very high	91.6	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-59.6	-47.5	168.3	171.6	-80.7	0	0	0	111	V351 P353 S364 C365 L370 G371 C372 F384 I396 L399 L419	V351-W368 PolarHBondContact O-NE1 3.49Å; P353-W368 HydrophobicContact CG-CE3 4.39Å; P353-W368 HydrophobicContact CG-CH2 4.22Å; P353-W368 HydrophobicContact CG-CZ3 4.07Å; S364-W368 PolarHBondContact O-N 3.46Å; C365-W368 WeakPolarHBondContact O-CB 3.36Å; C365-W368 PolarHBondContact O-N 3.24Å; W368-L370 VanDerWaalsContact C-N 3.34Å; W368-L370 PolarHBondContact O-N 3.33Å; W368-G371 PolarHBondContact O-N 3.31Å; W368-G371 VanDerWaalsContact O-N 3.11Å; W368-C372 PolarHBondContact O-N 3.49Å; W368-F384 AromaticContact CH2-CE2 3.95Å; W368-F384 HydrophobicContact CH2-CE2 3.95Å; W368-F384 AromaticContact CH2-CZ 3.79Å; W368-F384 HydrophobicContact CH2-CZ 3.79Å; W368-F384 HydrophobicContact CZ2-CD2 4.2Å; W368-F384 AromaticContact CZ2-CE2 3.33Å; W368-F384 HydrophobicContact CZ2-CE2 3.33Å; W368-F384 AromaticContact CZ2-CZ 3.66Å; W368-F384 HydrophobicContact CZ2-CZ 3.66Å; W368-I396 HydrophobicContact CH2-CG2 4.29Å; W368-I396 HydrophobicContact CZ2-CB 4.49Å; W368-I396 HydrophobicContact CZ2-CG1 4.41Å; W368-I396 HydrophobicContact CZ2-CG2 3.76Å; W368-L399 HydrophobicContact CH2-CD1 3.76Å; W368-L399 HydrophobicContact CZ3-CD1 4.02Å; W368-L419 HydrophobicContact CD2-CD2 3.72Å; W368-L419 HydrophobicContact CE3-CB 4.42Å; W368-L419 HydrophobicContact CE3-CD2 3.9Å; W368-L419 HydrophobicContact CG-CD2 4.13Å; W368-L419 HydrophobicContact CH2-CD2 4.48Å; W368-L419 HydrophobicContact CZ2-CD2 4.31Å; W368-L419 HydrophobicContact CZ3-CB 4.2Å; W368-L419 HydrophobicContact CZ3-CD2 4.28Å; W368-L419 WeakPolarHBondContact O-CD2 3.38Å
369	A	97.5	Very high	92.7	Very high	4 Å²	4	20.1 Å²	20.1	3%	0.033	10%	0.103	C	C	.	.	H	α-helix	trans	-61.7	-39.5	176.6	0	0	0	0	0	112.5	L298 C365 D366 G371 C372 M373	L298-A369 HydrophobicContact CB-CB 3.89Å; L298-A369 HydrophobicContact CD2-CB 4.18Å; L298-A369 HydrophobicContact CG-CB 4.48Å; L298-A369 WeakPolarHBondContact O-CB 3.39Å; C365-A369 PolarHBondContact O-N 3.24Å; D366-A369 PolarHBondContact O-N 3.31Å; A369-G371 VanDerWaalsContact C-N 3.32Å; A369-G371 PolarHBondContact O-N 3.13Å; A369-C372 PolarHBondContact O-N 2.94Å; A369-M373 WeakPolarHBondContact O-CG 3.37Å; A369-M373 PolarHBondContact O-N 2.93Å
370	L	98.4	Very high	93.5	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-56.8	-43.5	171.2	-175.1	68.4	0	0	0	111.8	T278 I281 L282 L285 D366 Y367 W368 M373 L374 L418 L438	T278-L370 HydrophobicContact CG2-CD1 3.78Å; T278-L370 HydrophobicContact CG2-CD2 4.45Å; T278-L370 HydrophobicContact CG2-CG 4.13Å; I281-L370 HydrophobicContact CB-CD1 3.93Å; I281-L370 HydrophobicContact CG2-CD1 3.62Å; L282-L370 HydrophobicContact CB-CD2 4.34Å; L282-L370 HydrophobicContact CD1-CD2 4.36Å; L285-L370 HydrophobicContact CD1-CB 4.44Å; D366-L370 PolarHBondContact O-N 3.17Å; Y367-L370 WeakPolarHBondContact O-CB 3.49Å; Y367-L370 PolarHBondContact O-N 3.11Å; W368-L370 VanDerWaalsContact C-N 3.34Å; W368-L370 PolarHBondContact O-N 3.33Å; L370-M373 HydrophobicContact CD1-CE 4.38Å; L370-M373 PolarHBondContact O-N 3.26Å; L370-L374 WeakPolarHBondContact O-CB 3.47Å; L370-L374 PolarHBondContact O-N 3.37Å; L370-L418 HydrophobicContact CG-CD1 4.48Å; L370-L438 HydrophobicContact CD2-CD2 4.3Å
371	G	98.4	Very high	94.1	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-61.3	-45.2	174.8	0	0	0	0	0	113	Y367 W368 A369 M373 L374 Y375	Y367-G371 PolarHBondContact O-N 2.93Å; W368-G371 PolarHBondContact O-N 3.31Å; W368-G371 VanDerWaalsContact O-N 3.11Å; A369-G371 VanDerWaalsContact C-N 3.32Å; A369-G371 PolarHBondContact O-N 3.13Å; G371-M373 PolarHBondContact O-N 3.28Å; G371-L374 PolarHBondContact O-N 3.43Å; G371-Y375 WeakPolarHBondContact O-CB 3.28Å; G371-Y375 PolarHBondContact O-N 3.44Å
372	C	98.2	Very high	94.9	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-60.8	-42.1	174	-75.7	0	0	0	0	112.3	Y350 W368 A369 Q376 P383	Y350-C372 HydrophobicContact CD1-CB 3.82Å; W368-C372 PolarHBondContact O-N 3.49Å; A369-C372 PolarHBondContact O-N 2.94Å; C372-Q376 WeakPolarHBondContact O-CB 3.49Å; C372-Q376 PolarHBondContact O-N 3.05Å; C372-P383 HydrophobicContact CB-CG 4.21Å
373	M	97.9	Very high	95.3	Very high	1 Å²	1	6.4 Å²	6.4	1%	0.005	4%	0.039	C	C	.	.	H	α-helix	trans	-67.8	-42.7	178.1	-71.1	-167.8	-63.5	0	0	112.5	I281 L298 K299 P300 V303 Y350 A369 L370 G371 Q376 M377	I281-M373 HydrophobicContact CD1-CE 3.94Å; I281-M373 HydrophobicContact CD1-SD 4.4Å; I281-M373 HydrophobicContact CG2-CE 3.87Å; L298-M373 HydrophobicContact CD1-CE 4.45Å; L298-M373 HydrophobicContact CD2-CE 3.39Å; L298-M373 HydrophobicContact CG-CE 3.59Å; L298-M373 HydrophobicContact CG-SD 4.4Å; K299-M373 VanDerWaalsContact C-SD 3.53Å; P300-M373 HydrophobicContact CG-CG 3.81Å; P300-M373 HydrophobicContact CG-SD 4.01Å; V303-M373 HydrophobicContact CG2-SD 4.35Å; Y350-M373 HydrophobicContact CD1-CG 4.35Å; Y350-M373 HydrophobicContact CE1-CG 4.37Å; A369-M373 WeakPolarHBondContact O-CG 3.37Å; A369-M373 PolarHBondContact O-N 2.93Å; L370-M373 HydrophobicContact CD1-CE 4.38Å; L370-M373 PolarHBondContact O-N 3.26Å; G371-M373 PolarHBondContact O-N 3.28Å; M373-Q376 PolarHBondContact O-N 2.9Å; M373-M377 WeakPolarHBondContact O-CB 3.23Å; M373-M377 WeakPolarHBondContact O-CG 3.4Å; M373-M377 PolarHBondContact O-N 2.94Å
374	L	98.4	Very high	95.4	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-60.8	-47.4	175.2	172.9	58.8	0	0	0	111.3	A274 T278 L370 G371 Q376 M377 L378 L414 V415 F443	A274-L374 HydrophobicContact CB-CD1 4.48Å; T278-L374 HydrophobicContact CG2-CB 4.47Å; L370-L374 WeakPolarHBondContact O-CB 3.47Å; L370-L374 PolarHBondContact O-N 3.37Å; G371-L374 PolarHBondContact O-N 3.43Å; L374-Q376 VanDerWaalsContact C-N 3.28Å; L374-Q376 PolarHBondContact O-N 3.35Å; L374-M377 PolarHBondContact O-N 2.91Å; L374-L378 HydrophobicContact CD1-CD1 3.68Å; L374-L378 HydrophobicContact CD1-CG 4.13Å; L374-L378 HydrophobicContact CG-CD1 4.25Å; L374-L378 PolarHBondContact O-N 3.18Å; L374-L378 VanDerWaalsContact O-N 3.11Å; L374-L414 HydrophobicContact CD2-CB 4.21Å; L374-L414 HydrophobicContact CD2-CD2 3.51Å; L374-L414 HydrophobicContact CD2-CG 3.83Å; L374-V415 HydrophobicContact CB-CG2 4.27Å; L374-V415 HydrophobicContact CD2-CG2 3.82Å; L374-V415 HydrophobicContact CG-CG2 3.87Å; L374-F443 HydrophobicContact CD1-CE1 3.69Å; L374-F443 HydrophobicContact CD1-CE2 4.28Å; L374-F443 HydrophobicContact CD1-CZ 3.46Å; L374-F443 VanDerWaalsContact CD1-CZ 3.46Å; L374-F443 HydrophobicContact CD2-CD1 4.33Å; L374-F443 HydrophobicContact CD2-CE1 4.07Å; L374-F443 HydrophobicContact CD2-CZ 4.41Å
375	Y	97.9	Very high	95.3	Very high	7 Å²	7	9.7 Å²	9.7	3%	0.027	5%	0.047	C	C	.	.	H	α-helix	trans	-55.6	-44.8	174.4	179	-77.7	0	0	0	111.2	G371 S379 L381 P383 Y401 S402 F403 F407 V415	G371-Y375 WeakPolarHBondContact O-CB 3.28Å; G371-Y375 PolarHBondContact O-N 3.44Å; Y375-S379 WeakPolarHBondContact CD1-OG 3.38Å; Y375-S379 WeakPolarHBondContact CE1-OG 3.02Å; Y375-S379 VanDerWaalsContact O-CB 3.28Å; Y375-S379 WeakPolarHBondContact O-CB 3.34Å; Y375-S379 PolarHBondContact O-N 2.93Å; Y375-S379 PolarHBondContact O-OG 3.42Å; Y375-L381 WeakPolarHBondContact CD1-O 3.29Å; Y375-L381 WeakPolarHBondContact CE1-O 3.32Å; Y375-P383 HydrophobicContact CD1-CB 3.74Å; Y375-P383 VanDerWaalsContact CD1-CD 3.46Å; Y375-P383 HydrophobicContact CD1-CG 4.06Å; Y375-P383 VanDerWaalsContact CD1-N 3.34Å; Y375-P383 HydrophobicContact CD2-CB 4.1Å; Y375-P383 VanDerWaalsContact CE1-CA 3.42Å; Y375-P383 HydrophobicContact CE1-CB 3.92Å; Y375-P383 HydrophobicContact CE2-CB 4.24Å; Y375-P383 HydrophobicContact CG-CB 3.86Å; Y375-P383 HydrophobicContact CG-CG 4.16Å; Y375-Y401 HydrophobicContact CD2-CD2 4.35Å; Y375-Y401 HydrophobicContact CD2-CE2 4.38Å; Y375-Y401 HydrophobicContact CE2-CD2 4.04Å; Y375-Y401 HydrophobicContact CE2-CE2 4.39Å; Y375-S402 PolarHBondContact OH-O 2.76Å; Y375-F403 AromaticContact CD2-CD1 3.91Å; Y375-F403 HydrophobicContact CD2-CD1 3.91Å; Y375-F403 AromaticContact CD2-CE1 3.73Å; Y375-F403 HydrophobicContact CD2-CE1 3.73Å; Y375-F403 AromaticContact CE2-CD1 3.77Å; Y375-F403 HydrophobicContact CE2-CD1 3.77Å; Y375-F403 HydrophobicContact CE2-CE1 4.03Å; Y375-F403 HydrophobicContact CE2-CG 4.35Å; Y375-F407 HydrophobicContact CD2-CE2 4.32Å; Y375-F407 HydrophobicContact CD2-CZ 4.38Å; Y375-V415 HydrophobicContact CD2-CG1 4.21Å
376	Q	95.8	Very high	95	Very high	12 Å²	12	10.9 Å²	10.9	6%	0.056	6%	0.056	C	C	.	.	H	α-helix	trans	-72.4	-36.8	-179	-170.2	-171.9	7.9	0	0	113.3	L263 Y350 C372 M373 L374 L378 G380 L381	L263-Q376 HydrophobicContact CD2-CB 4.4Å; L263-Q376 HydrophobicContact CD2-CG 3.76Å; Y350-Q376 VanDerWaalsContact CE1-OE1 3.25Å; Y350-Q376 PolarHBondContact OH-NE2 3.38Å; Y350-Q376 PolarHBondContact OH-OE1 2.88Å; C372-Q376 WeakPolarHBondContact O-CB 3.49Å; C372-Q376 PolarHBondContact O-N 3.05Å; M373-Q376 PolarHBondContact O-N 2.9Å; L374-Q376 VanDerWaalsContact C-N 3.28Å; L374-Q376 PolarHBondContact O-N 3.35Å; Q376-L378 VanDerWaalsContact C-N 3.3Å; Q376-L378 PolarHBondContact O-N 3.22Å; Q376-G380 CarbonylContact O-C 3.5Å; Q376-G380 WeakPolarHBondContact O-CA 3.37Å; Q376-G380 PolarHBondContact O-N 2.87Å; Q376-L381 WeakPolarHBondContact CA-O 3.45Å
377	M	95.4	Very high	94.4	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-61.6	-41.7	175.5	-78.1	-171.8	-69.7	0	0	110.8	L259 L263 S268 F269 A274 T278 M373 L374	L259-M377 HydrophobicContact CD2-SD 4.16Å; L263-M377 HydrophobicContact CD2-CG 4.14Å; S268-M377 WeakPolarHBondContact CB-O 3.46Å; F269-M377 HydrophobicContact CD2-CB 3.82Å; F269-M377 HydrophobicContact CD2-CG 3.61Å; F269-M377 HydrophobicContact CD2-SD 3.69Å; F269-M377 HydrophobicContact CE2-CB 4.37Å; F269-M377 HydrophobicContact CE2-CG 3.67Å; F269-M377 HydrophobicContact CE2-SD 3.63Å; F269-M377 HydrophobicContact CG-CB 4.5Å; F269-M377 PolarHBondContact N-O 3.16Å; A274-M377 HydrophobicContact CB-CB 4.05Å; T278-M377 WeakPolarHBondContact OG1-CE 3.42Å; M373-M377 WeakPolarHBondContact O-CB 3.23Å; M373-M377 WeakPolarHBondContact O-CG 3.4Å; M373-M377 PolarHBondContact O-N 2.94Å; L374-M377 PolarHBondContact O-N 2.91Å
378	L	93.7	Very high	93.7	Very high	14 Å²	14	19.8 Å²	19.8	7%	0.073	11%	0.111	C	C	.	.	H	α-helix	trans	-78.3	-49.1	179.3	-67.2	172.4	0	0	0	112.7	S268 E271 A274 L374 Q376 F407 A411 F597	S268-L378 WeakPolarHBondContact CB-O 3.42Å; S268-L378 PolarHBondContact OG-O 3.02Å; S268-L378 VanDerWaalsContact OG-O 3.13Å; E271-L378 HydrophobicContact CB-CD2 4.32Å; E271-L378 HydrophobicContact CG-CD2 4.47Å; A274-L378 HydrophobicContact CB-CD2 3.65Å; A274-L378 HydrophobicContact CB-CG 4.07Å; L374-L378 HydrophobicContact CD1-CD1 3.68Å; L374-L378 HydrophobicContact CD1-CG 4.13Å; L374-L378 HydrophobicContact CG-CD1 4.25Å; L374-L378 PolarHBondContact O-N 3.18Å; L374-L378 VanDerWaalsContact O-N 3.11Å; Q376-L378 VanDerWaalsContact C-N 3.3Å; Q376-L378 PolarHBondContact O-N 3.22Å; L378-F407 HydrophobicContact CB-CD2 4.41Å; L378-F407 HydrophobicContact CB-CE2 3.6Å; L378-F407 HydrophobicContact CB-CZ 3.78Å; L378-F407 HydrophobicContact CD1-CE1 3.95Å; L378-F407 HydrophobicContact CD1-CE2 4.28Å; L378-F407 HydrophobicContact CD1-CZ 3.6Å; L378-F407 HydrophobicContact CG-CZ 4.35Å; L378-A411 HydrophobicContact CD1-CB 3.38Å; L378-F597 VanDerWaalsContact O-CD2 3.24Å; L378-F597 WeakPolarHBondContact O-CD2 3.12Å; L378-F597 WeakPolarHBondContact O-CE2 3.41Å
379	S	90.1	Very high	93.1	Very high	4 Å²	4	24 Å²	24	3%	0.028	13%	0.13	C	C	.	.	H	α-helix	trans	-83.9	-16.6	-176.1	70.5	0	0	0	0	115	Y375 L381 F597	Y375-S379 WeakPolarHBondContact CD1-OG 3.38Å; Y375-S379 WeakPolarHBondContact CE1-OG 3.02Å; Y375-S379 VanDerWaalsContact O-CB 3.28Å; Y375-S379 WeakPolarHBondContact O-CB 3.34Å; Y375-S379 PolarHBondContact O-N 2.93Å; Y375-S379 PolarHBondContact O-OG 3.42Å; S379-L381 VanDerWaalsContact C-N 3.27Å; S379-L381 PolarHBondContact O-N 3.34Å; S379-L381 PolarHBondContact OG-N 3.07Å; S379-L381 PolarHBondContact OG-O 2.79Å; S379-F597 VanDerWaalsContact CA-CD2 3.44Å
380	G	87	Confident	92.7	Very high	6 Å²	6	30.9 Å²	30.9	6%	0.062	16%	0.156	C	C	.	.	S	Bend	trans	78.9	-2.5	-172.7	0	0	0	0	0	115.7	G267 Q376 K598	G267-G380 WeakPolarHBondContact O-CA 3.5Å; Q376-G380 CarbonylContact O-C 3.5Å; Q376-G380 WeakPolarHBondContact O-CA 3.37Å; Q376-G380 PolarHBondContact O-N 2.87Å; G380-K598 WeakPolarHBondContact O-CE 3.2Å; G380-K598 PolarHBondContact O-NZ 2.67Å
381	L	88.7	Confident	92.4	Very high	31 Å²	31	33.9 Å²	33.9	16%	0.162	17%	0.172	C	C	.	.	S	Bend	trans	-141.1	143.2	-175.3	-68.4	169.6	0	0	0	109.4	Y375 Q376 S379	Y375-L381 WeakPolarHBondContact CD1-O 3.29Å; Y375-L381 WeakPolarHBondContact CE1-O 3.32Å; Q376-L381 WeakPolarHBondContact CA-O 3.45Å; S379-L381 VanDerWaalsContact C-N 3.27Å; S379-L381 PolarHBondContact O-N 3.34Å; S379-L381 PolarHBondContact OG-N 3.07Å; S379-L381 PolarHBondContact OG-O 2.79Å
382	P	93.1	Very high	92.1	Very high	7 Å²	7	34.4 Å²	34.4	5%	0.045	18%	0.175	C	C	.	.			trans	-66.3	156.6	177.2	22.3	-29.6	0	0	0	111.5	Q349 R385	Q349-P382 HydrophobicContact CB-CB 4.03Å; Q349-P382 HydrophobicContact CB-CG 4.14Å; Q349-P382 VanDerWaalsContact CD-CG 3.47Å; Q349-P382 HydrophobicContact CG-CB 4.48Å; Q349-P382 HydrophobicContact CG-CG 4.09Å; P382-R385 HydrophobicContact CG-CG 3.91Å; P382-R385 WeakPolarHBondContact O-CD 3.49Å; P382-R385 WeakPolarHBondContact O-CG 3.21Å; P382-R385 PolarHBondContact O-NE 2.89Å; P382-R385 VanDerWaalsContact O-NE 3.08Å
383	P	95.8	Very high	91.8	Very high	7 Å²	7	36.6 Å²	36.6	5%	0.045	19%	0.185	C	C	.	.	S	Bend	trans	-65.8	-46.2	-176.5	23.2	-29.8	0	0	0	111.5	C372 Y375 Y401 L419	C372-P383 HydrophobicContact CB-CG 4.21Å; Y375-P383 HydrophobicContact CD1-CB 3.74Å; Y375-P383 VanDerWaalsContact CD1-CD 3.46Å; Y375-P383 HydrophobicContact CD1-CG 4.06Å; Y375-P383 VanDerWaalsContact CD1-N 3.34Å; Y375-P383 HydrophobicContact CD2-CB 4.1Å; Y375-P383 VanDerWaalsContact CE1-CA 3.42Å; Y375-P383 HydrophobicContact CE1-CB 3.92Å; Y375-P383 HydrophobicContact CE2-CB 4.24Å; Y375-P383 HydrophobicContact CG-CB 3.86Å; Y375-P383 HydrophobicContact CG-CG 4.16Å; P383-Y401 HydrophobicContact CB-CD2 3.79Å; P383-Y401 HydrophobicContact CB-CG 3.97Å; P383-L419 HydrophobicContact CB-CD1 4.29Å; P383-L419 HydrophobicContact CG-CD1 4.01Å
384	F	96	Very high	91.6	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.198	C	C	.	.	S	Bend	trans	-93	107.8	-179.3	-49.9	-70	0	0	0	110.8	W368 I392 K395 I396 L399 Y401 L419	W368-F384 AromaticContact CH2-CE2 3.95Å; W368-F384 HydrophobicContact CH2-CE2 3.95Å; W368-F384 AromaticContact CH2-CZ 3.79Å; W368-F384 HydrophobicContact CH2-CZ 3.79Å; W368-F384 HydrophobicContact CZ2-CD2 4.2Å; W368-F384 AromaticContact CZ2-CE2 3.33Å; W368-F384 HydrophobicContact CZ2-CE2 3.33Å; W368-F384 AromaticContact CZ2-CZ 3.66Å; W368-F384 HydrophobicContact CZ2-CZ 3.66Å; F384-I392 HydrophobicContact CB-CG2 3.99Å; F384-K395 HydrophobicContact CD1-CB 4.07Å; F384-I396 HydrophobicContact CB-CD1 4.38Å; F384-I396 HydrophobicContact CB-CG1 3.8Å; F384-I396 HydrophobicContact CD1-CG1 4.01Å; F384-I396 HydrophobicContact CD2-CD1 4.4Å; F384-I396 HydrophobicContact CD2-CG1 3.59Å; F384-I396 HydrophobicContact CE2-CG1 4.2Å; F384-I396 HydrophobicContact CG-CD1 4.45Å; F384-I396 HydrophobicContact CG-CG1 3.49Å; F384-I396 VanDerWaalsContact CG-CG1 3.49Å; F384-L399 HydrophobicContact CE1-CD1 4.47Å; F384-L399 HydrophobicContact CZ-CD1 4.05Å; F384-Y401 AromaticContact CE1-CD1 3.68Å; F384-Y401 HydrophobicContact CE1-CD1 3.68Å; F384-Y401 HydrophobicContact CE1-CG 4.09Å; F384-Y401 AromaticContact CZ-CD1 3.82Å; F384-Y401 HydrophobicContact CZ-CD1 3.82Å; F384-Y401 HydrophobicContact CZ-CE1 4.37Å; F384-Y401 HydrophobicContact CZ-CG 4.33Å; F384-L419 HydrophobicContact CE2-CD1 4.19Å; F384-L419 HydrophobicContact CE2-CD2 4.47Å; F384-L419 HydrophobicContact CZ-CD1 4.27Å
385	R	91.2	Very high	91.5	Very high	100 Å²	100	42.7 Å²	42.7	38%	0.377	21%	0.212	S	C	.	.			trans	-133.9	134.8	179.8	-69.1	178.6	-68.2	128.2	-2.9	111.9	P382 K395	P382-R385 HydrophobicContact CG-CG 3.91Å; P382-R385 WeakPolarHBondContact O-CD 3.49Å; P382-R385 WeakPolarHBondContact O-CG 3.21Å; P382-R385 PolarHBondContact O-NE 2.89Å; P382-R385 VanDerWaalsContact O-NE 3.08Å; R385-K395 PolarHBondContact O-NZ 2.8Å
386	A	88.8	Confident	91.3	Very high	30 Å²	30	42.3 Å²	42.3	25%	0.248	21%	0.211	C	C	.	.			trans	-158.5	168	171.7	0	0	0	0	0	110.5	N388 L391 I392	A386-N388 PolarHBondContact O-N 2.79Å; A386-L391 HydrophobicContact CB-CB 3.36Å; A386-L391 HydrophobicContact CB-CD1 4.41Å; A386-I392 HydrophobicContact CB-CG1 3.91Å
387	P	83.4	Confident	91.2	Very high	114 Å²	114	45.1 Å²	45.1	74%	0.74	23%	0.229	S	C	*	.	S	Bend	trans	-67	-14.5	-177.7	-24.2	35.6	0	0	0	116.3
388	N	84.4	Confident	91.2	Very high	79 Å²	79	52.2 Å²	52.2	42%	0.422	26%	0.259	S	S	.	.	S	Bend	trans	-149.2	160.5	177.4	63	62.1	0	0	0	110.8	A386 Y390 L391 I392	A386-N388 PolarHBondContact O-N 2.79Å; N388-Y390 VanDerWaalsContact C-N 3.35Å; N388-Y390 PolarHBondContact O-N 3.37Å; N388-Y390 PolarHBondContact OD1-N 3.33Å; N388-L391 PolarHBondContact O-N 2.67Å; N388-L391 WeakPolarHBondContact OD1-CG 3.48Å; N388-L391 PolarHBondContact OD1-N 2.78Å; N388-I392 WeakPolarHBondContact O-CG1 3.35Å; N388-I392 PolarHBondContact O-N 3Å
389	E	85.9	Confident	91.4	Very high	87 Å²	87	54.2 Å²	54.2	41%	0.407	27%	0.27	S	S	.	.	H	α-helix	trans	-62	-38	-174.2	-56.6	-165.8	137.7	0	0	113.4	A348 L391 I392 F393	A348-E389 HydrophobicContact CB-CB 3.98Å; A348-E389 HydrophobicContact CB-CG 3.87Å; E389-L391 VanDerWaalsContact C-N 3.31Å; E389-L391 PolarHBondContact O-N 2.93Å; E389-I392 CarbonylContact O-C 3.6Å; E389-I392 WeakPolarHBondContact O-CA 3.18Å; E389-I392 WeakPolarHBondContact O-CB 3.42Å; E389-I392 PolarHBondContact O-N 3.2Å; E389-F393 HydrophobicContact CB-CE1 4.39Å; E389-F393 HydrophobicContact CB-CE2 3.97Å; E389-F393 HydrophobicContact CB-CZ 3.82Å; E389-F393 WeakPolarHBondContact O-CD1 3.49Å; E389-F393 WeakPolarHBondContact O-CD2 3.45Å; E389-F393 WeakPolarHBondContact O-CG 3.48Å; E389-F393 PolarHBondContact O-N 3.09Å
390	Y	88.8	Confident	91.7	Very high	149 Å²	149	58 Å²	58	58%	0.584	29%	0.29	S	S	*	.	H	α-helix	trans	-57.9	-43.2	178	175.4	-100.6	0	0	0	112.1	N388 F393 Q394	N388-Y390 VanDerWaalsContact C-N 3.35Å; N388-Y390 PolarHBondContact O-N 3.37Å; N388-Y390 PolarHBondContact OD1-N 3.33Å; Y390-F393 PolarHBondContact O-N 2.81Å; Y390-Q394 HydrophobicContact CE1-CG 4.13Å; Y390-Q394 VanDerWaalsContact CZ-NE2 3.29Å; Y390-Q394 WeakPolarHBondContact O-CG 3.39Å; Y390-Q394 PolarHBondContact O-N 3.24Å; Y390-Q394 PolarHBondContact OH-NE2 3.49Å
391	L	91.5	Very high	92.1	Very high	63 Å²	63	59.7 Å²	59.7	33%	0.33	30%	0.295	S	S	.	.	H	α-helix	trans	-69.5	-32	174.7	-67.6	174.6	0	0	0	112.3	A386 N388 E389 Q394 K395	A386-L391 HydrophobicContact CB-CB 3.36Å; A386-L391 HydrophobicContact CB-CD1 4.41Å; N388-L391 PolarHBondContact O-N 2.67Å; N388-L391 WeakPolarHBondContact OD1-CG 3.48Å; N388-L391 PolarHBondContact OD1-N 2.78Å; E389-L391 VanDerWaalsContact C-N 3.31Å; E389-L391 PolarHBondContact O-N 2.93Å; L391-Q394 PolarHBondContact O-N 3.33Å; L391-K395 WeakPolarHBondContact O-CG 3.48Å; L391-K395 PolarHBondContact O-N 3.19Å
392	I	91.7	Very high	92.4	Very high	11 Å²	11	62.6 Å²	62.6	6%	0.056	32%	0.317	C	S	.	.	H	α-helix	trans	-64.5	-44.7	171.9	-61.3	172.7	0	0	0	110.1	A348 Q349 F384 A386 N388 E389 Q394 K395 I396	A348-I392 HydrophobicContact CB-CB 4.47Å; A348-I392 HydrophobicContact CB-CD1 4.28Å; A348-I392 HydrophobicContact CB-CG2 4.28Å; A348-I392 WeakPolarHBondContact O-CG2 3.45Å; Q349-I392 HydrophobicContact CG-CD1 4.13Å; F384-I392 HydrophobicContact CB-CG2 3.99Å; A386-I392 HydrophobicContact CB-CG1 3.91Å; N388-I392 WeakPolarHBondContact O-CG1 3.35Å; N388-I392 PolarHBondContact O-N 3Å; E389-I392 CarbonylContact O-C 3.6Å; E389-I392 WeakPolarHBondContact O-CA 3.18Å; E389-I392 WeakPolarHBondContact O-CB 3.42Å; E389-I392 PolarHBondContact O-N 3.2Å; I392-Q394 PolarHBondContact O-N 3.45Å; I392-K395 WeakPolarHBondContact O-CB 3.41Å; I392-K395 PolarHBondContact O-N 2.93Å; I392-K395 VanDerWaalsContact O-N 3.09Å; I392-I396 HydrophobicContact CG2-CD1 3.84Å; I392-I396 HydrophobicContact CG2-CG1 4.46Å; I392-I396 WeakPolarHBondContact O-CG1 3.25Å; I392-I396 PolarHBondContact O-N 2.82Å
393	F	92.4	Very high	92.5	Very high	47 Å²	47	64.3 Å²	64.3	21%	0.206	32%	0.324	C	S	.	.	H	α-helix	trans	-62.8	-39.3	176	-55.8	-28.1	0	0	0	112.4	F344 A348 V351 L356 E389 Y390 K395 I396 T397	F344-F393 HydrophobicContact CD2-CZ 4.49Å; F344-F393 AromaticContact CE1-CZ 3.91Å; F344-F393 HydrophobicContact CE1-CZ 3.91Å; F344-F393 AromaticContact CE2-CE1 3.97Å; F344-F393 HydrophobicContact CE2-CE1 3.97Å; F344-F393 AromaticContact CE2-CZ 3.86Å; F344-F393 HydrophobicContact CE2-CZ 3.86Å; F344-F393 AromaticContact CZ-CE1 3.76Å; F344-F393 HydrophobicContact CZ-CE1 3.76Å; F344-F393 AromaticContact CZ-CZ 3.55Å; F344-F393 HydrophobicContact CZ-CZ 3.55Å; A348-F393 HydrophobicContact CB-CD1 4.34Å; A348-F393 HydrophobicContact CB-CE1 3.51Å; A348-F393 HydrophobicContact CB-CZ 4.06Å; V351-F393 HydrophobicContact CG1-CD1 4.33Å; V351-F393 HydrophobicContact CG1-CE1 4.11Å; L356-F393 HydrophobicContact CD1-CB 3.98Å; L356-F393 HydrophobicContact CD1-CD1 3.74Å; L356-F393 HydrophobicContact CD1-CG 4.09Å; L356-F393 HydrophobicContact CD2-CD1 3.49Å; L356-F393 VanDerWaalsContact CD2-CD1 3.49Å; L356-F393 HydrophobicContact CD2-CD2 4.43Å; L356-F393 HydrophobicContact CD2-CE1 3.61Å; L356-F393 HydrophobicContact CD2-CG 3.94Å; L356-F393 HydrophobicContact CD2-CZ 4.16Å; L356-F393 HydrophobicContact CG-CD1 4.28Å; E389-F393 HydrophobicContact CB-CE1 4.39Å; E389-F393 HydrophobicContact CB-CE2 3.97Å; E389-F393 HydrophobicContact CB-CZ 3.82Å; E389-F393 WeakPolarHBondContact O-CD1 3.49Å; E389-F393 WeakPolarHBondContact O-CD2 3.45Å; E389-F393 WeakPolarHBondContact O-CG 3.48Å; E389-F393 PolarHBondContact O-N 3.09Å; Y390-F393 PolarHBondContact O-N 2.81Å; F393-K395 VanDerWaalsContact C-N 3.29Å; F393-K395 PolarHBondContact O-N 3.37Å; F393-I396 PolarHBondContact O-N 2.95Å; F393-T397 WeakPolarHBondContact O-CB 3.37Å; F393-T397 WeakPolarHBondContact O-CG2 3.36Å; F393-T397 PolarHBondContact O-N 3.31Å; F393-T397 PolarHBondContact O-OG1 3.26Å
394	Q	93.5	Very high	92.1	Very high	63 Å²	63	65.5 Å²	65.5	29%	0.294	33%	0.332	S	S	.	.	H	α-helix	trans	-61.1	-37.7	172.2	-76.2	-166	-13.5	0	0	112.2	Y390 L391 I392 T397 K398	Y390-Q394 HydrophobicContact CE1-CG 4.13Å; Y390-Q394 VanDerWaalsContact CZ-NE2 3.29Å; Y390-Q394 WeakPolarHBondContact O-CG 3.39Å; Y390-Q394 PolarHBondContact O-N 3.24Å; Y390-Q394 PolarHBondContact OH-NE2 3.49Å; L391-Q394 PolarHBondContact O-N 3.33Å; I392-Q394 PolarHBondContact O-N 3.45Å; Q394-T397 PolarHBondContact O-OG1 3.2Å; Q394-K398 WeakPolarHBondContact O-CB 3.44Å; Q394-K398 WeakPolarHBondContact O-CD 3.43Å; Q394-K398 VanDerWaalsContact O-CG 3.26Å; Q394-K398 WeakPolarHBondContact O-CG 3.21Å; Q394-K398 PolarHBondContact O-N 3.45Å
395	K	95.9	Very high	91.4	Very high	65 Å²	65	71 Å²	71	28%	0.283	36%	0.357	S	S	.	.	H	α-helix	trans	-69.1	-46.9	175.1	-72.1	-165.9	167.7	-171.5	0	112.5	F384 R385 L391 I392 F393 T397 K398 L399 D400	F384-K395 HydrophobicContact CD1-CB 4.07Å; R385-K395 PolarHBondContact O-NZ 2.8Å; L391-K395 WeakPolarHBondContact O-CG 3.48Å; L391-K395 PolarHBondContact O-N 3.19Å; I392-K395 WeakPolarHBondContact O-CB 3.41Å; I392-K395 PolarHBondContact O-N 2.93Å; I392-K395 VanDerWaalsContact O-N 3.09Å; F393-K395 VanDerWaalsContact C-N 3.29Å; F393-K395 PolarHBondContact O-N 3.37Å; K395-T397 PolarHBondContact O-N 2.78Å; K395-K398 CarbonylContact O-C 3.5Å; K395-K398 PolarHBondContact O-N 2.84Å; K395-L399 WeakPolarHBondContact O-CA 3.38Å; K395-L399 PolarHBondContact O-N 3.26Å; K395-D400 HydrophobicContact CB-CB 4.15Å; K395-D400 VanDerWaalsContact CE-OD2 3.25Å; K395-D400 WeakPolarHBondContact CE-OD2 3.37Å; K395-D400 HydrophobicContact CG-CB 4.09Å; K395-D400 WeakPolarHBondContact CG-OD2 3.2Å; K395-D400 PolarHBondContact O-N 3.35Å
396	I	95.3	Very high	91	Very high	0 Å²	0	69.2 Å²	69.2	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-55.5	-49.9	176.6	-72.7	164.8	0	0	0	110.9	A348 V351 P353 L356 W368 F384 I392 F393 K398 L399 L421	A348-I396 VanDerWaalsContact O-CD1 3.24Å; A348-I396 WeakPolarHBondContact O-CD1 3.43Å; V351-I396 HydrophobicContact CG1-CD1 3.86Å; P353-I396 HydrophobicContact CB-CG2 4.1Å; L356-I396 HydrophobicContact CD1-CB 4.1Å; L356-I396 HydrophobicContact CD1-CD1 4.23Å; L356-I396 HydrophobicContact CD1-CG2 3.69Å; W368-I396 HydrophobicContact CH2-CG2 4.29Å; W368-I396 HydrophobicContact CZ2-CB 4.49Å; W368-I396 HydrophobicContact CZ2-CG1 4.41Å; W368-I396 HydrophobicContact CZ2-CG2 3.76Å; F384-I396 HydrophobicContact CB-CD1 4.38Å; F384-I396 HydrophobicContact CB-CG1 3.8Å; F384-I396 HydrophobicContact CD1-CG1 4.01Å; F384-I396 HydrophobicContact CD2-CD1 4.4Å; F384-I396 HydrophobicContact CD2-CG1 3.59Å; F384-I396 HydrophobicContact CE2-CG1 4.2Å; F384-I396 HydrophobicContact CG-CD1 4.45Å; F384-I396 HydrophobicContact CG-CG1 3.49Å; F384-I396 VanDerWaalsContact CG-CG1 3.49Å; I392-I396 HydrophobicContact CG2-CD1 3.84Å; I392-I396 HydrophobicContact CG2-CG1 4.46Å; I392-I396 WeakPolarHBondContact O-CG1 3.25Å; I392-I396 PolarHBondContact O-N 2.82Å; F393-I396 PolarHBondContact O-N 2.95Å; I396-K398 VanDerWaalsContact C-N 3.27Å; I396-K398 PolarHBondContact O-N 3.32Å; I396-L399 PolarHBondContact O-N 3.3Å; I396-L399 VanDerWaalsContact O-N 3.16Å; I396-L421 WeakPolarHBondContact O-CD2 3.45Å
397	T	93.1	Very high	91	Very high	71 Å²	71	68.6 Å²	68.6	44%	0.436	36%	0.363	S	S	.	.	H	α-helix	trans	-69.5	-20.2	-177.8	49.9	0	0	0	0	114.4	L356 F393 Q394 K395	L356-T397 HydrophobicContact CD1-CG2 4.47Å; F393-T397 WeakPolarHBondContact O-CB 3.37Å; F393-T397 WeakPolarHBondContact O-CG2 3.36Å; F393-T397 PolarHBondContact O-N 3.31Å; F393-T397 PolarHBondContact O-OG1 3.26Å; Q394-T397 PolarHBondContact O-OG1 3.2Å; K395-T397 PolarHBondContact O-N 2.78Å
398	K	95.6	Very high	91.3	Very high	148 Å²	148	65.5 Å²	65.5	64%	0.643	34%	0.34	S	S	*	.	H	α-helix	trans	-98.1	-4	173.8	-68.7	175.5	-178.6	177.3	0	113.8	Q394 K395 I396 D400	Q394-K398 WeakPolarHBondContact O-CB 3.44Å; Q394-K398 WeakPolarHBondContact O-CD 3.43Å; Q394-K398 VanDerWaalsContact O-CG 3.26Å; Q394-K398 WeakPolarHBondContact O-CG 3.21Å; Q394-K398 PolarHBondContact O-N 3.45Å; K395-K398 CarbonylContact O-C 3.5Å; K395-K398 PolarHBondContact O-N 2.84Å; I396-K398 VanDerWaalsContact C-N 3.27Å; I396-K398 PolarHBondContact O-N 3.32Å; K398-D400 HydrophobicContact CB-CB 4.32Å; K398-D400 PolarHBondContact O-N 2.86Å
399	L	96.6	Very high	91.8	Very high	57 Å²	57	69.1 Å²	69.1	30%	0.298	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.2	36	-167.7	-158.8	62.4	0	0	0	113.6	W368 F384 K395 I396 Y401 L419 L421	W368-L399 HydrophobicContact CH2-CD1 3.76Å; W368-L399 HydrophobicContact CZ3-CD1 4.02Å; F384-L399 HydrophobicContact CE1-CD1 4.47Å; F384-L399 HydrophobicContact CZ-CD1 4.05Å; K395-L399 WeakPolarHBondContact O-CA 3.38Å; K395-L399 PolarHBondContact O-N 3.26Å; I396-L399 PolarHBondContact O-N 3.3Å; I396-L399 VanDerWaalsContact O-N 3.16Å; L399-Y401 HydrophobicContact CD1-CD1 4.22Å; L399-Y401 HydrophobicContact CD1-CE1 3.8Å; L399-Y401 HydrophobicContact CG-CD1 4.28Å; L399-Y401 HydrophobicContact CG-CE1 3.9Å; L399-Y401 PolarHBondContact O-N 3.35Å; L399-Y401 VanDerWaalsContact O-N 3.16Å; L399-L419 HydrophobicContact CD1-CB 4.26Å; L399-L419 WeakPolarHBondContact CD1-O 3.44Å; L399-L419 WeakPolarHBondContact CD2-O 3.46Å; L399-L421 HydrophobicContact CB-CD1 4.33Å; L399-L421 HydrophobicContact CB-CD2 4.13Å; L399-L421 HydrophobicContact CB-CG 4.15Å; L399-L421 HydrophobicContact CD1-CD2 4.43Å; L399-L421 HydrophobicContact CD2-CG 4.46Å
400	D	97	Very high	92.4	Very high	83 Å²	83	67.7 Å²	67.7	44%	0.444	35%	0.351	S	S	.	.			trans	-83.1	89.3	-178.4	175.6	29.7	0	0	0	111.5	K395 K398	K395-D400 HydrophobicContact CB-CB 4.15Å; K395-D400 VanDerWaalsContact CE-OD2 3.25Å; K395-D400 WeakPolarHBondContact CE-OD2 3.37Å; K395-D400 HydrophobicContact CG-CB 4.09Å; K395-D400 WeakPolarHBondContact CG-OD2 3.2Å; K395-D400 PolarHBondContact O-N 3.35Å; K398-D400 HydrophobicContact CB-CB 4.32Å; K398-D400 PolarHBondContact O-N 2.86Å
401	Y	96.4	Very high	92.8	Very high	42 Å²	42	60.6 Å²	60.6	17%	0.165	32%	0.323	C	S	.	.			trans	-145.8	161.2	167.9	75.8	-73.8	0	0	0	110.1	Y375 P383 F384 L399 F403 V415 L419	Y375-Y401 HydrophobicContact CD2-CD2 4.35Å; Y375-Y401 HydrophobicContact CD2-CE2 4.38Å; Y375-Y401 HydrophobicContact CE2-CD2 4.04Å; Y375-Y401 HydrophobicContact CE2-CE2 4.39Å; P383-Y401 HydrophobicContact CB-CD2 3.79Å; P383-Y401 HydrophobicContact CB-CG 3.97Å; F384-Y401 AromaticContact CE1-CD1 3.68Å; F384-Y401 HydrophobicContact CE1-CD1 3.68Å; F384-Y401 HydrophobicContact CE1-CG 4.09Å; F384-Y401 AromaticContact CZ-CD1 3.82Å; F384-Y401 HydrophobicContact CZ-CD1 3.82Å; F384-Y401 HydrophobicContact CZ-CE1 4.37Å; F384-Y401 HydrophobicContact CZ-CG 4.33Å; L399-Y401 HydrophobicContact CD1-CD1 4.22Å; L399-Y401 HydrophobicContact CD1-CE1 3.8Å; L399-Y401 HydrophobicContact CG-CD1 4.28Å; L399-Y401 HydrophobicContact CG-CE1 3.9Å; L399-Y401 PolarHBondContact O-N 3.35Å; L399-Y401 VanDerWaalsContact O-N 3.16Å; Y401-F403 HydrophobicContact CD2-CE2 4.48Å; Y401-F403 HydrophobicContact CE2-CD2 4.26Å; Y401-F403 HydrophobicContact CE2-CE1 4.29Å; Y401-F403 AromaticContact CE2-CE2 3.54Å; Y401-F403 HydrophobicContact CE2-CE2 3.54Å; Y401-F403 AromaticContact CE2-CZ 3.58Å; Y401-F403 HydrophobicContact CE2-CZ 3.58Å; Y401-V415 HydrophobicContact CE2-CG1 4.22Å; Y401-L419 HydrophobicContact CE1-CB 4.33Å; Y401-L419 HydrophobicContact CE1-CD1 4.16Å; Y401-L419 HydrophobicContact CE2-CD1 4.06Å
402	S	95	Very high	93.1	Very high	91 Å²	91	60.4 Å²	60.4	64%	0.636	32%	0.321	S	S	*	.			trans	-135.4	148.7	175.5	59	0	0	0	0	110.3	Y375	Y375-S402 PolarHBondContact OH-O 2.76Å
403	F	93.7	Very high	93.4	Very high	43 Å²	43	62.5 Å²	62.5	19%	0.189	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-79.7	137.8	172.9	-66.6	-89.6	0	0	0	110	Y375 Y401 F407 M412 V415 Q416	Y375-F403 AromaticContact CD2-CD1 3.91Å; Y375-F403 HydrophobicContact CD2-CD1 3.91Å; Y375-F403 AromaticContact CD2-CE1 3.73Å; Y375-F403 HydrophobicContact CD2-CE1 3.73Å; Y375-F403 AromaticContact CE2-CD1 3.77Å; Y375-F403 HydrophobicContact CE2-CD1 3.77Å; Y375-F403 HydrophobicContact CE2-CE1 4.03Å; Y375-F403 HydrophobicContact CE2-CG 4.35Å; Y401-F403 HydrophobicContact CD2-CE2 4.48Å; Y401-F403 HydrophobicContact CE2-CD2 4.26Å; Y401-F403 HydrophobicContact CE2-CE1 4.29Å; Y401-F403 AromaticContact CE2-CE2 3.54Å; Y401-F403 HydrophobicContact CE2-CE2 3.54Å; Y401-F403 AromaticContact CE2-CZ 3.58Å; Y401-F403 HydrophobicContact CE2-CZ 3.58Å; F403-F407 HydrophobicContact CB-CB 4.21Å; F403-F407 HydrophobicContact CB-CG 4.42Å; F403-F407 HydrophobicContact CD1-CB 4.44Å; F403-F407 AromaticContact CD1-CD1 3.59Å; F403-F407 HydrophobicContact CD1-CD1 3.59Å; F403-F407 HydrophobicContact CD1-CD2 4.08Å; F403-F407 AromaticContact CD1-CE1 3.69Å; F403-F407 HydrophobicContact CD1-CE1 3.69Å; F403-F407 HydrophobicContact CD1-CE2 4.16Å; F403-F407 AromaticContact CD1-CG 3.79Å; F403-F407 HydrophobicContact CD1-CG 3.79Å; F403-F407 AromaticContact CD1-CZ 3.97Å; F403-F407 HydrophobicContact CD1-CZ 3.97Å; F403-F407 HydrophobicContact CE1-CD1 4.07Å; F403-F407 AromaticContact CE1-CE1 3.74Å; F403-F407 HydrophobicContact CE1-CE1 3.74Å; F403-F407 HydrophobicContact CE1-CZ 4.03Å; F403-M412 HydrophobicContact CB-SD 4.37Å; F403-M412 HydrophobicContact CD1-CB 4.32Å; F403-M412 HydrophobicContact CD1-CG 3.92Å; F403-M412 HydrophobicContact CD2-CG 3.67Å; F403-M412 HydrophobicContact CD2-SD 3.91Å; F403-M412 HydrophobicContact CE1-CB 4.15Å; F403-M412 HydrophobicContact CE1-CG 3.81Å; F403-M412 HydrophobicContact CE2-CG 3.58Å; F403-M412 HydrophobicContact CE2-SD 4.36Å; F403-M412 HydrophobicContact CG-CG 3.84Å; F403-M412 HydrophobicContact CG-SD 4.04Å; F403-M412 HydrophobicContact CZ-CB 4.34Å; F403-M412 HydrophobicContact CZ-CG 3.64Å; F403-V415 HydrophobicContact CE1-CB 3.89Å; F403-V415 HydrophobicContact CE1-CG1 3.82Å; F403-V415 HydrophobicContact CE1-CG2 4.45Å; F403-V415 HydrophobicContact CZ-CB 3.85Å; F403-V415 HydrophobicContact CZ-CG1 3.66Å; F403-Q416 HydrophobicContact CE2-CG 3.78Å; F403-Q416 HydrophobicContact CZ-CG 3.94Å
404	P	87.2	Confident	93.7	Very high	33 Å²	33	60.2 Å²	60.2	21%	0.214	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-68.5	154.7	172.2	32.2	-37	0	0	0	110.4	G406 F407 F597	P404-G406 PolarHBondContact O-N 2.91Å; P404-F407 HydrophobicContact CG-CB 4.44Å; P404-F407 HydrophobicContact CG-CD2 3.93Å; P404-F407 WeakPolarHBondContact O-CB 3.4Å; P404-F407 PolarHBondContact O-N 2.85Å; P404-F597 HydrophobicContact CB-CD1 3.5Å; P404-F597 HydrophobicContact CB-CE1 3.57Å; P404-F597 HydrophobicContact CB-CG 4.39Å; P404-F597 HydrophobicContact CB-CZ 4.49Å; P404-F597 HydrophobicContact CG-CD1 3.56Å; P404-F597 HydrophobicContact CG-CE1 3.34Å; P404-F597 HydrophobicContact CG-CE2 4.38Å; P404-F597 HydrophobicContact CG-CG 4.16Å; P404-F597 HydrophobicContact CG-CZ 3.79Å
405	E	81.9	Confident	94	Very high	114 Å²	114	57.2 Å²	57.2	53%	0.533	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	133.4	-175.9	-169.6	174.3	-164.4	0	0	112.4	F597 L619 R623	E405-F597 WeakPolarHBondContact O-CE1 3.41Å; E405-L619 HydrophobicContact CB-CD2 4.31Å; E405-L619 HydrophobicContact CG-CD2 4.29Å; E405-L619 WeakPolarHBondContact O-CD2 3.48Å; E405-R623 IonicContact OE1-CZ 3.1Å; E405-R623 IonicContact OE1-NH1 3.24Å; E405-R623 PolarHBondContact OE1-NH1 2.98Å; E405-R623 IonicContact OE1-NH2 2.68Å; E405-R623 PolarHBondContact OE1-NH2 3.47Å; E405-R623 IonicContact OE2-CZ 3.19Å; E405-R623 IonicContact OE2-NE 3.9Å; E405-R623 IonicContact OE2-NH1 3.72Å; E405-R623 PolarHBondContact OE2-NH1 2.69Å; E405-R623 IonicContact OE2-NH2 3.28Å; E405-R623 PolarHBondContact OE2-NH2 3.32Å
406	G	82.2	Confident	94.1	Very high	64 Å²	64	58.5 Å²	58.5	66%	0.66	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.4	10	-174.7	0	0	0	0	0	114.6	P404	P404-G406 PolarHBondContact O-N 2.91Å
407	F	88.9	Confident	94.2	Very high	17 Å²	17	62.3 Å²	62.3	8%	0.075	33%	0.332	C	S	.	.			trans	-62.9	137.3	168.9	-160.3	-82.9	0	0	0	110.8	Y375 L378 F403 P404 E409 A411 M412 F597	Y375-F407 HydrophobicContact CD2-CE2 4.32Å; Y375-F407 HydrophobicContact CD2-CZ 4.38Å; L378-F407 HydrophobicContact CB-CD2 4.41Å; L378-F407 HydrophobicContact CB-CE2 3.6Å; L378-F407 HydrophobicContact CB-CZ 3.78Å; L378-F407 HydrophobicContact CD1-CE1 3.95Å; L378-F407 HydrophobicContact CD1-CE2 4.28Å; L378-F407 HydrophobicContact CD1-CZ 3.6Å; L378-F407 HydrophobicContact CG-CZ 4.35Å; F403-F407 HydrophobicContact CB-CB 4.21Å; F403-F407 HydrophobicContact CB-CG 4.42Å; F403-F407 HydrophobicContact CD1-CB 4.44Å; F403-F407 AromaticContact CD1-CD1 3.59Å; F403-F407 HydrophobicContact CD1-CD1 3.59Å; F403-F407 HydrophobicContact CD1-CD2 4.08Å; F403-F407 AromaticContact CD1-CE1 3.69Å; F403-F407 HydrophobicContact CD1-CE1 3.69Å; F403-F407 HydrophobicContact CD1-CE2 4.16Å; F403-F407 AromaticContact CD1-CG 3.79Å; F403-F407 HydrophobicContact CD1-CG 3.79Å; F403-F407 AromaticContact CD1-CZ 3.97Å; F403-F407 HydrophobicContact CD1-CZ 3.97Å; F403-F407 HydrophobicContact CE1-CD1 4.07Å; F403-F407 AromaticContact CE1-CE1 3.74Å; F403-F407 HydrophobicContact CE1-CE1 3.74Å; F403-F407 HydrophobicContact CE1-CZ 4.03Å; P404-F407 HydrophobicContact CG-CB 4.44Å; P404-F407 HydrophobicContact CG-CD2 3.93Å; P404-F407 WeakPolarHBondContact O-CB 3.4Å; P404-F407 PolarHBondContact O-N 2.85Å; F407-E409 PolarHBondContact O-N 3.36Å; F407-A411 HydrophobicContact CE1-CB 3.89Å; F407-M412 HydrophobicContact CD1-CB 3.98Å; F407-M412 HydrophobicContact CE1-CB 4.31Å; F407-F597 HydrophobicContact CB-CZ 4.28Å; F407-F597 HydrophobicContact CD2-CE2 4.45Å; F407-F597 HydrophobicContact CD2-CZ 4.13Å
408	N	90.4	Very high	94.5	Very high	48 Å²	48	59 Å²	59	26%	0.257	31%	0.312	S	S	.	.			trans	-60.9	127.7	-177.5	173.2	-69.8	0	0	0	111.2	E271 V410 A411 M412	E271-N408 PolarHBondContact OE1-ND2 3.11Å; E271-N408 PolarHBondContact OE2-ND2 3.43Å; N408-V410 PolarHBondContact O-N 2.83Å; N408-V410 WeakPolarHBondContact OD1-CA 3.44Å; N408-V410 WeakPolarHBondContact OD1-CB 3.46Å; N408-V410 PolarHBondContact OD1-N 3.37Å; N408-A411 HydrophobicContact CB-CB 4.11Å; N408-A411 PolarHBondContact O-N 2.9Å; N408-A411 PolarHBondContact OD1-N 3.33Å; N408-M412 WeakPolarHBondContact O-CB 3.42Å; N408-M412 PolarHBondContact O-N 2.95Å
409	E	96.1	Very high	94.6	Very high	155 Å²	155	52 Å²	52	72%	0.724	28%	0.281	S	S	*	.	H	α-helix	trans	-62.7	-37	-174.8	-62.4	-179.7	172.8	0	0	113.6	F407 M412 D413	F407-E409 PolarHBondContact O-N 3.36Å; E409-M412 WeakPolarHBondContact O-CB 3.5Å; E409-M412 PolarHBondContact O-N 3.07Å; E409-D413 WeakPolarHBondContact O-CB 3.25Å; E409-D413 PolarHBondContact O-N 2.87Å
410	V	97.5	Very high	94.7	Very high	57 Å²	57	50.8 Å²	50.8	35%	0.345	28%	0.276	S	S	.	.	H	α-helix	trans	-71.7	-35.6	179.3	-175.9	0	0	0	0	111.5	N408 L414 P442 F443	N408-V410 PolarHBondContact O-N 2.83Å; N408-V410 WeakPolarHBondContact OD1-CA 3.44Å; N408-V410 WeakPolarHBondContact OD1-CB 3.46Å; N408-V410 PolarHBondContact OD1-N 3.37Å; V410-L414 PolarHBondContact O-N 3.24Å; V410-P442 HydrophobicContact CG1-CB 3.84Å; V410-F443 HydrophobicContact CG1-CB 4.05Å; V410-F443 VanDerWaalsContact CG1-N 3.32Å
411	A	97.4	Very high	94.6	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-73.8	-35	172.4	0	0	0	0	0	111.9	L378 F407 N408 L414 V415 F443	L378-A411 HydrophobicContact CD1-CB 3.38Å; F407-A411 HydrophobicContact CE1-CB 3.89Å; N408-A411 HydrophobicContact CB-CB 4.11Å; N408-A411 PolarHBondContact O-N 2.9Å; N408-A411 PolarHBondContact OD1-N 3.33Å; A411-L414 PolarHBondContact O-N 3.45Å; A411-V415 WeakPolarHBondContact O-CG2 3.44Å; A411-V415 PolarHBondContact O-N 3.09Å; A411-F443 HydrophobicContact CB-CD2 3.75Å; A411-F443 HydrophobicContact CB-CE2 3.72Å
412	M	97.7	Very high	94.5	Very high	59 Å²	59	52.2 Å²	52.2	29%	0.291	28%	0.284	S	S	.	.	H	α-helix	trans	-59.8	-49.4	174.7	-177.6	174.2	68.2	0	0	110.5	F403 F407 N408 E409 L414 V415 Q416	F403-M412 HydrophobicContact CB-SD 4.37Å; F403-M412 HydrophobicContact CD1-CB 4.32Å; F403-M412 HydrophobicContact CD1-CG 3.92Å; F403-M412 HydrophobicContact CD2-CG 3.67Å; F403-M412 HydrophobicContact CD2-SD 3.91Å; F403-M412 HydrophobicContact CE1-CB 4.15Å; F403-M412 HydrophobicContact CE1-CG 3.81Å; F403-M412 HydrophobicContact CE2-CG 3.58Å; F403-M412 HydrophobicContact CE2-SD 4.36Å; F403-M412 HydrophobicContact CG-CG 3.84Å; F403-M412 HydrophobicContact CG-SD 4.04Å; F403-M412 HydrophobicContact CZ-CB 4.34Å; F403-M412 HydrophobicContact CZ-CG 3.64Å; F407-M412 HydrophobicContact CD1-CB 3.98Å; F407-M412 HydrophobicContact CE1-CB 4.31Å; N408-M412 WeakPolarHBondContact O-CB 3.42Å; N408-M412 PolarHBondContact O-N 2.95Å; E409-M412 WeakPolarHBondContact O-CB 3.5Å; E409-M412 PolarHBondContact O-N 3.07Å; M412-L414 VanDerWaalsContact C-N 3.34Å; M412-L414 PolarHBondContact O-N 3.02Å; M412-V415 PolarHBondContact O-N 2.82Å; M412-Q416 WeakPolarHBondContact O-CB 3.43Å; M412-Q416 WeakPolarHBondContact O-CG 3.47Å; M412-Q416 PolarHBondContact O-N 3.41Å
413	D	98.4	Very high	94.5	Very high	55 Å²	55	48.5 Å²	48.5	29%	0.294	26%	0.258	S	S	.	.	H	α-helix	trans	-57	-43.4	175.1	177.7	45.7	0	0	0	112.1	E409 Q416 K417 H441	E409-D413 WeakPolarHBondContact O-CB 3.25Å; E409-D413 PolarHBondContact O-N 2.87Å; D413-Q416 PolarHBondContact O-N 3.06Å; D413-K417 WeakPolarHBondContact O-CB 3.13Å; D413-K417 WeakPolarHBondContact O-CD 3.42Å; D413-K417 WeakPolarHBondContact O-CG 3.34Å; D413-K417 PolarHBondContact O-N 3.37Å; D413-K417 WeakPolarHBondContact OD1-CE 3.48Å; D413-K417 IonicContact OD1-NZ 3.04Å; D413-K417 PolarHBondContact OD1-NZ 2.79Å; D413-K417 IonicContact OD2-NZ 3.46Å; D413-K417 PolarHBondContact OD2-NZ 2.94Å; D413-H441 IonicContact OD2-CE1 2.79Å; D413-H441 PolarHBondContact OD2-CE1 3.42Å; D413-H441 VanDerWaalsContact OD2-CE1 3.28Å; D413-H441 IonicContact OD2-NE2 2.84Å; D413-H441 PolarHBondContact OD2-NE2 3.24Å; D413-H441 VanDerWaalsContact OD2-NE2 3.09Å
414	L	98.6	Very high	94.5	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-62.9	-47.5	174.4	-178.6	52.5	0	0	0	112.3	L374 V410 A411 M412 Q416 K417 L418 L427 L438 H441 F443 F444	L374-L414 HydrophobicContact CD2-CB 4.21Å; L374-L414 HydrophobicContact CD2-CD2 3.51Å; L374-L414 HydrophobicContact CD2-CG 3.83Å; V410-L414 PolarHBondContact O-N 3.24Å; A411-L414 PolarHBondContact O-N 3.45Å; M412-L414 VanDerWaalsContact C-N 3.34Å; M412-L414 PolarHBondContact O-N 3.02Å; L414-Q416 VanDerWaalsContact C-N 3.31Å; L414-Q416 PolarHBondContact O-N 2.93Å; L414-K417 PolarHBondContact O-N 2.88Å; L414-L418 HydrophobicContact CD1-CD1 3.82Å; L414-L418 HydrophobicContact CD1-CG 4.03Å; L414-L418 HydrophobicContact CG-CD1 3.86Å; L414-L418 HydrophobicContact CG-CG 4.48Å; L414-L418 WeakPolarHBondContact O-CG 3.41Å; L414-L418 PolarHBondContact O-N 3.3Å; L414-L427 HydrophobicContact CD1-CD2 3.99Å; L414-L438 HydrophobicContact CD1-CD1 3.63Å; L414-H441 HydrophobicContact CD1-CB 4.2Å; L414-H441 PolarHBondContact N-CE1 2.99Å; L414-F443 HydrophobicContact CB-CB 4.32Å; L414-F443 HydrophobicContact CD2-CB 3.74Å; L414-F443 HydrophobicContact CD2-CD1 3.39Å; L414-F443 HydrophobicContact CD2-CE1 4.24Å; L414-F443 HydrophobicContact CD2-CG 3.77Å; L414-F444 HydrophobicContact CD2-CE2 3.81Å; L414-F444 HydrophobicContact CD2-CZ 3.85Å
415	V	98.6	Very high	95	Very high	0 Å²	0	52 Å²	52	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-62.4	-40.3	179.4	171.4	0	0	0	0	110.7	L374 Y375 Y401 F403 A411 M412 K417 L418 L419	L374-V415 HydrophobicContact CB-CG2 4.27Å; L374-V415 HydrophobicContact CD2-CG2 3.82Å; L374-V415 HydrophobicContact CG-CG2 3.87Å; Y375-V415 HydrophobicContact CD2-CG1 4.21Å; Y401-V415 HydrophobicContact CE2-CG1 4.22Å; F403-V415 HydrophobicContact CE1-CB 3.89Å; F403-V415 HydrophobicContact CE1-CG1 3.82Å; F403-V415 HydrophobicContact CE1-CG2 4.45Å; F403-V415 HydrophobicContact CZ-CB 3.85Å; F403-V415 HydrophobicContact CZ-CG1 3.66Å; A411-V415 WeakPolarHBondContact O-CG2 3.44Å; A411-V415 PolarHBondContact O-N 3.09Å; M412-V415 PolarHBondContact O-N 2.82Å; V415-K417 VanDerWaalsContact C-N 3.33Å; V415-K417 PolarHBondContact O-N 3.28Å; V415-L418 PolarHBondContact O-N 3.46Å; V415-L419 HydrophobicContact CG1-CD1 3.59Å; V415-L419 HydrophobicContact CG1-CG 4.02Å; V415-L419 WeakPolarHBondContact O-CB 3.5Å; V415-L419 WeakPolarHBondContact O-CG 3.27Å; V415-L419 PolarHBondContact O-N 3.22Å
416	Q	98.4	Very high	95.7	Very high	92 Å²	92	46.6 Å²	46.6	43%	0.43	25%	0.251	S	S	.	.	H	α-helix	trans	-63.1	-37.5	176.1	-74	174.6	-39.4	0	0	112.4	F403 M412 D413 L414 V420	F403-Q416 HydrophobicContact CE2-CG 3.78Å; F403-Q416 HydrophobicContact CZ-CG 3.94Å; M412-Q416 WeakPolarHBondContact O-CB 3.43Å; M412-Q416 WeakPolarHBondContact O-CG 3.47Å; M412-Q416 PolarHBondContact O-N 3.41Å; D413-Q416 PolarHBondContact O-N 3.06Å; L414-Q416 VanDerWaalsContact C-N 3.31Å; L414-Q416 PolarHBondContact O-N 2.93Å; Q416-V420 WeakPolarHBondContact O-CG2 3.42Å
417	K	98.3	Very high	96.5	Very high	80 Å²	80	44.5 Å²	44.5	35%	0.348	23%	0.225	S	C	.	.	H	α-helix	trans	-75.2	-20.1	176.2	-74.6	164.3	175.2	157.6	0	114.4	D413 L414 V415 L427 H441	D413-K417 WeakPolarHBondContact O-CB 3.13Å; D413-K417 WeakPolarHBondContact O-CD 3.42Å; D413-K417 WeakPolarHBondContact O-CG 3.34Å; D413-K417 PolarHBondContact O-N 3.37Å; D413-K417 WeakPolarHBondContact OD1-CE 3.48Å; D413-K417 IonicContact OD1-NZ 3.04Å; D413-K417 PolarHBondContact OD1-NZ 2.79Å; D413-K417 IonicContact OD2-NZ 3.46Å; D413-K417 PolarHBondContact OD2-NZ 2.94Å; L414-K417 PolarHBondContact O-N 2.88Å; V415-K417 VanDerWaalsContact C-N 3.33Å; V415-K417 PolarHBondContact O-N 3.28Å; K417-L427 HydrophobicContact CB-CB 3.92Å; K417-L427 HydrophobicContact CB-CD2 4.18Å; K417-L427 HydrophobicContact CD-CD2 4.27Å; K417-L427 PolarHBondContact O-N 3.42Å; K417-H441 PolarHBondContact NZ-NE2 3.29Å
418	L	98.4	Very high	96.7	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-91.4	-39	174.5	-70	170.8	0	0	0	112.1	L370 L414 V415 V420 R426 L427 L438	L370-L418 HydrophobicContact CG-CD1 4.48Å; L414-L418 HydrophobicContact CD1-CD1 3.82Å; L414-L418 HydrophobicContact CD1-CG 4.03Å; L414-L418 HydrophobicContact CG-CD1 3.86Å; L414-L418 HydrophobicContact CG-CG 4.48Å; L414-L418 WeakPolarHBondContact O-CG 3.41Å; L414-L418 PolarHBondContact O-N 3.3Å; V415-L418 PolarHBondContact O-N 3.46Å; L418-V420 VanDerWaalsContact C-N 3.27Å; L418-V420 PolarHBondContact O-N 3.28Å; L418-V420 VanDerWaalsContact O-N 3.13Å; L418-R426 VanDerWaalsContact O-CD 3.25Å; L418-R426 WeakPolarHBondContact O-CD 3.49Å; L418-R426 WeakPolarHBondContact O-CG 3.22Å; L418-L427 WeakPolarHBondContact CD2-O 3.31Å; L418-L438 HydrophobicContact CD2-CD1 3.91Å; L418-L438 HydrophobicContact CD2-CD2 4.09Å
419	L	98.3	Very high	97	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.005	21%	0.212	C	C	.	.	S	Bend	trans	-88.6	60.7	178.4	-58.8	-174.5	0	0	0	111	W368 P383 F384 L399 Y401 V415	W368-L419 HydrophobicContact CD2-CD2 3.72Å; W368-L419 HydrophobicContact CE3-CB 4.42Å; W368-L419 HydrophobicContact CE3-CD2 3.9Å; W368-L419 HydrophobicContact CG-CD2 4.13Å; W368-L419 HydrophobicContact CH2-CD2 4.48Å; W368-L419 HydrophobicContact CZ2-CD2 4.31Å; W368-L419 HydrophobicContact CZ3-CB 4.2Å; W368-L419 HydrophobicContact CZ3-CD2 4.28Å; W368-L419 WeakPolarHBondContact O-CD2 3.38Å; P383-L419 HydrophobicContact CB-CD1 4.29Å; P383-L419 HydrophobicContact CG-CD1 4.01Å; F384-L419 HydrophobicContact CE2-CD1 4.19Å; F384-L419 HydrophobicContact CE2-CD2 4.47Å; F384-L419 HydrophobicContact CZ-CD1 4.27Å; L399-L419 HydrophobicContact CD1-CB 4.26Å; L399-L419 WeakPolarHBondContact CD1-O 3.44Å; L399-L419 WeakPolarHBondContact CD2-O 3.46Å; Y401-L419 HydrophobicContact CE1-CB 4.33Å; Y401-L419 HydrophobicContact CE1-CD1 4.16Å; Y401-L419 HydrophobicContact CE2-CD1 4.06Å; V415-L419 HydrophobicContact CG1-CD1 3.59Å; V415-L419 HydrophobicContact CG1-CG 4.02Å; V415-L419 WeakPolarHBondContact O-CB 3.5Å; V415-L419 WeakPolarHBondContact O-CG 3.27Å; V415-L419 PolarHBondContact O-N 3.22Å
420	V	97.5	Very high	96.8	Very high	32 Å²	32	42.7 Å²	42.7	19%	0.194	22%	0.216	C	C	.	.			trans	-101.7	140.4	171.9	-173	0	0	0	0	109.3	Q416 L418 E425 R426	Q416-V420 WeakPolarHBondContact O-CG2 3.42Å; L418-V420 VanDerWaalsContact C-N 3.27Å; L418-V420 PolarHBondContact O-N 3.28Å; L418-V420 VanDerWaalsContact O-N 3.13Å; V420-E425 HydrophobicContact CG1-CB 3.77Å; V420-R426 HydrophobicContact CB-CG 3.83Å; V420-R426 HydrophobicContact CG2-CG 4.46Å; V420-R426 PolarHBondContact O-NE 3.21Å; V420-R426 PolarHBondContact O-NH2 2.99Å
421	L	95.6	Very high	96.6	Very high	70 Å²	70	46 Å²	46	37%	0.366	23%	0.228	S	C	.	.	S	Bend	trans	-64.7	-45.1	-177.1	-71.5	178	0	0	0	112.3	P353 I396 L399 R426	P353-L421 HydrophobicContact CB-CD2 4.21Å; P353-L421 HydrophobicContact CG-CD2 4.04Å; I396-L421 WeakPolarHBondContact O-CD2 3.45Å; L399-L421 HydrophobicContact CB-CD1 4.33Å; L399-L421 HydrophobicContact CB-CD2 4.13Å; L399-L421 HydrophobicContact CB-CG 4.15Å; L399-L421 HydrophobicContact CD1-CD2 4.43Å; L399-L421 HydrophobicContact CD2-CG 4.46Å; L421-R426 PolarHBondContact O-NH2 2.99Å; L421-R426 VanDerWaalsContact O-NH2 3.12Å
422	E	95	Very high	96.6	Very high	85 Å²	85	50 Å²	50	40%	0.397	25%	0.247	S	C	.	.	S	Bend	trans	-82.1	122.6	-179.8	-168.1	53.9	-140.8	0	0	111	K359 A424 E425	K359-E422 IonicContact NZ-OE2 3.29Å; K359-E422 PolarHBondContact NZ-OE2 3.09Å; E422-A424 VanDerWaalsContact C-N 3.27Å; E422-A424 PolarHBondContact O-N 3.49Å; E422-E425 HydrophobicContact CB-CB 4.46Å; E422-E425 HydrophobicContact CB-CG 4.22Å; E422-E425 HydrophobicContact CG-CG 4.48Å; E422-E425 PolarHBondContact O-N 3.13Å; E422-E425 VanDerWaalsContact O-N 3.08Å
423	P	94.5	Very high	96.4	Very high	14 Å²	14	49.9 Å²	49.9	9%	0.091	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-63.7	-27.3	-172.9	-24.4	35	0	0	0	114.9	E354 S364 E425 S429	E354-P423 HydrophobicContact CB-CG 3.88Å; E354-P423 HydrophobicContact CG-CG 3.75Å; S364-P423 WeakPolarHBondContact CB-O 3.09Å; S364-P423 PolarHBondContact OG-O 2.94Å; P423-E425 VanDerWaalsContact C-N 3.31Å; P423-S429 WeakPolarHBondContact O-CB 3.07Å
424	A	94.5	Very high	96.2	Very high	28 Å²	28	47.8 Å²	47.8	23%	0.231	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-73.4	-21.6	177	0	0	0	0	0	113	E422 S429 E431 Q432	E422-A424 VanDerWaalsContact C-N 3.27Å; E422-A424 PolarHBondContact O-N 3.49Å; A424-S429 PolarHBondContact O-OG 3.26Å; A424-E431 HydrophobicContact CB-CB 4.33Å; A424-E431 HydrophobicContact CB-CG 4.02Å; A424-Q432 PolarHBondContact O-NE2 2.96Å
425	E	96.6	Very high	96	Very high	122 Å²	122	49.4 Å²	49.4	57%	0.57	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-90.9	-7.9	-179.9	-64.4	-177.5	167	0	0	113.1	V420 E422 P423	V420-E425 HydrophobicContact CG1-CB 3.77Å; E422-E425 HydrophobicContact CB-CB 4.46Å; E422-E425 HydrophobicContact CB-CG 4.22Å; E422-E425 HydrophobicContact CG-CG 4.48Å; E422-E425 PolarHBondContact O-N 3.13Å; E422-E425 VanDerWaalsContact O-N 3.08Å; P423-E425 VanDerWaalsContact C-N 3.31Å
426	R	97.3	Very high	95.9	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	28%	0.28	C	S	.	.	S	Bend	trans	-72.9	133.8	177.4	-66.1	-179.2	-160.8	139.7	11.2	111.6	E354 S364 L418 V420 L421 G428 S429 Q432	E354-R426 VanDerWaalsContact CD-NH1 3.34Å; E354-R426 IonicContact OE1-CZ 2.68Å; E354-R426 IonicContact OE1-NH1 2.97Å; E354-R426 PolarHBondContact OE1-NH1 2.77Å; E354-R426 IonicContact OE1-NH2 3.51Å; E354-R426 IonicContact OE2-CZ 2.69Å; E354-R426 IonicContact OE2-NH1 2.74Å; E354-R426 PolarHBondContact OE2-NH1 3.13Å; E354-R426 IonicContact OE2-NH2 2.59Å; E354-R426 PolarHBondContact OE2-NH2 3.44Å; S364-R426 PolarHBondContact O-NH1 3.15Å; S364-R426 WeakPolarHBondContact OG-CD 3.43Å; L418-R426 VanDerWaalsContact O-CD 3.25Å; L418-R426 WeakPolarHBondContact O-CD 3.49Å; L418-R426 WeakPolarHBondContact O-CG 3.22Å; V420-R426 HydrophobicContact CB-CG 3.83Å; V420-R426 HydrophobicContact CG2-CG 4.46Å; V420-R426 PolarHBondContact O-NE 3.21Å; V420-R426 PolarHBondContact O-NH2 2.99Å; L421-R426 PolarHBondContact O-NH2 2.99Å; L421-R426 VanDerWaalsContact O-NH2 3.12Å; R426-G428 PolarHBondContact O-N 3.04Å; R426-S429 VanDerWaalsContact O-CB 3.27Å; R426-S429 WeakPolarHBondContact O-CB 3.46Å; R426-S429 PolarHBondContact O-N 3.21Å; R426-S429 PolarHBondContact O-OG 3.08Å; R426-S429 VanDerWaalsContact O-OG 3.08Å; R426-Q432 VanDerWaalsContact O-CG 3.28Å; R426-Q432 WeakPolarHBondContact O-CG 3.4Å
427	L	97.5	Very high	95.9	Very high	20 Å²	20	53.4 Å²	53.4	11%	0.105	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	125.1	171.6	-177.2	66.3	0	0	0	110.4	L414 K417 L418 R437 L438 H441	L414-L427 HydrophobicContact CD1-CD2 3.99Å; K417-L427 HydrophobicContact CB-CB 3.92Å; K417-L427 HydrophobicContact CB-CD2 4.18Å; K417-L427 HydrophobicContact CD-CD2 4.27Å; K417-L427 PolarHBondContact O-N 3.42Å; L418-L427 WeakPolarHBondContact CD2-O 3.31Å; L427-R437 HydrophobicContact CD1-CB 4.33Å; L427-R437 HydrophobicContact CD1-CG 3.89Å; L427-L438 HydrophobicContact CB-CD1 4.49Å; L427-L438 HydrophobicContact CD2-CD1 3.63Å; L427-L438 HydrophobicContact CG-CB 4.05Å; L427-L438 HydrophobicContact CG-CD1 3.8Å; L427-L438 HydrophobicContact CG-CG 4.49Å; L427-H441 HydrophobicContact CD2-CB 4.4Å
428	G	95.2	Very high	95.8	Very high	3 Å²	3	49.6 Å²	49.6	3%	0.031	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	106.3	-19.1	-172.6	0	0	0	0	0	114.3	Y367 R426 G434	Y367-G428 WeakPolarHBondContact CE2-O 3.32Å; R426-G428 PolarHBondContact O-N 3.04Å; G428-G434 WeakPolarHBondContact CA-O 3.3Å; G428-G434 CarbonylContact O-C 3.02Å; G428-G434 WeakPolarHBondContact O-CA 3.32Å
429	S	94.8	Very high	95.8	Very high	5 Å²	5	51.4 Å²	51.4	4%	0.035	28%	0.276	C	S	.	.	S	Bend	trans	-61	158.9	169.1	76.4	0	0	0	0	111.2	P423 A424 R426 E431 Q432 G433 G434	P423-S429 WeakPolarHBondContact O-CB 3.07Å; A424-S429 PolarHBondContact O-OG 3.26Å; R426-S429 VanDerWaalsContact O-CB 3.27Å; R426-S429 WeakPolarHBondContact O-CB 3.46Å; R426-S429 PolarHBondContact O-N 3.21Å; R426-S429 PolarHBondContact O-OG 3.08Å; R426-S429 VanDerWaalsContact O-OG 3.08Å; S429-E431 WeakPolarHBondContact CB-OE2 3.45Å; S429-E431 PolarHBondContact O-N 3.08Å; S429-E431 PolarHBondContact OG-OE2 3.35Å; S429-Q432 PolarHBondContact O-N 2.94Å; S429-Q432 WeakPolarHBondContact OG-CB 3.48Å; S429-Q432 WeakPolarHBondContact OG-CG 3.37Å; S429-Q432 PolarHBondContact OG-N 3.29Å; S429-G433 PolarHBondContact O-N 3.43Å; S429-G434 VanDerWaalsContact O-CA 3.23Å; S429-G434 WeakPolarHBondContact O-CA 3.42Å; S429-G434 PolarHBondContact O-N 3.14Å
430	E	92.7	Very high	95.8	Very high	173 Å²	173	57.3 Å²	57.3	81%	0.808	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-37.8	177.1	-64.9	-177.4	-176.4	0	0	110.9	Q432 G433	E430-Q432 VanDerWaalsContact C-N 3.34Å; E430-Q432 PolarHBondContact O-N 2.84Å; E430-G433 PolarHBondContact O-N 2.99Å; E430-G433 VanDerWaalsContact O-N 3.13Å
431	E	94.2	Very high	95.8	Very high	128 Å²	128	56.2 Å²	56.2	60%	0.598	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-25.7	179.4	-54.2	87.5	164.7	0	0	113.3	A424 S429 G433	A424-E431 HydrophobicContact CB-CB 4.33Å; A424-E431 HydrophobicContact CB-CG 4.02Å; S429-E431 WeakPolarHBondContact CB-OE2 3.45Å; S429-E431 PolarHBondContact O-N 3.08Å; S429-E431 PolarHBondContact OG-OE2 3.35Å; E431-G433 VanDerWaalsContact C-N 3.35Å
432	Q	95.8	Very high	95.9	Very high	84 Å²	84	56.8 Å²	56.8	39%	0.393	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	15.1	171.1	-62	-48.8	-58.5	0	0	113.6	A424 R426 S429 E430 R437	A424-Q432 PolarHBondContact O-NE2 2.96Å; R426-Q432 VanDerWaalsContact O-CG 3.28Å; R426-Q432 WeakPolarHBondContact O-CG 3.4Å; S429-Q432 PolarHBondContact O-N 2.94Å; S429-Q432 WeakPolarHBondContact OG-CB 3.48Å; S429-Q432 WeakPolarHBondContact OG-CG 3.37Å; S429-Q432 PolarHBondContact OG-N 3.29Å; E430-Q432 VanDerWaalsContact C-N 3.34Å; E430-Q432 PolarHBondContact O-N 2.84Å; Q432-R437 WeakPolarHBondContact O-CB 3.14Å; Q432-R437 WeakPolarHBondContact O-CG 3.43Å
433	G	94.1	Very high	96.1	Very high	56 Å²	56	52.8 Å²	52.8	58%	0.577	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.5	15.7	178	0	0	0	0	0	115.1	S429 E430 E431	S429-G433 PolarHBondContact O-N 3.43Å; E430-G433 PolarHBondContact O-N 2.99Å; E430-G433 VanDerWaalsContact O-N 3.13Å; E431-G433 VanDerWaalsContact C-N 3.35Å
434	G	94.4	Very high	96.3	Very high	10 Å²	10	52.4 Å²	52.4	10%	0.103	28%	0.282	C	S	.	.	H	α-helix	trans	73.2	-171.4	171	0	0	0	0	0	115.2	G428 S429 G436 R437 L438	G428-G434 WeakPolarHBondContact CA-O 3.3Å; G428-G434 CarbonylContact O-C 3.02Å; G428-G434 WeakPolarHBondContact O-CA 3.32Å; S429-G434 VanDerWaalsContact O-CA 3.23Å; S429-G434 WeakPolarHBondContact O-CA 3.42Å; S429-G434 PolarHBondContact O-N 3.14Å; G434-G436 PolarHBondContact O-N 3.47Å; G434-R437 PolarHBondContact O-N 3.22Å; G434-L438 PolarHBondContact O-N 3.47Å
435	P	95.3	Very high	96.3	Very high	35 Å²	35	54.4 Å²	54.4	23%	0.227	30%	0.299	C	S	.	.	H	α-helix	trans	-61.9	-25	-178.9	22.9	-32.8	0	0	0	113.4	E286 L438 K439	E286-P435 HydrophobicContact CB-CB 4.47Å; E286-P435 HydrophobicContact CG-CB 4.39Å; E286-P435 HydrophobicContact CG-CG 4.16Å; P435-L438 WeakPolarHBondContact O-CB 3.4Å; P435-L438 PolarHBondContact O-N 2.86Å; P435-K439 WeakPolarHBondContact O-CG 3.22Å; P435-K439 PolarHBondContact O-N 3.4Å
436	G	96.3	Very high	96.2	Very high	35 Å²	35	52.1 Å²	52.1	36%	0.361	31%	0.308	S	S	.	.	H	α-helix	trans	-58.5	-47.8	173.9	0	0	0	0	0	112	G434 L438 K439 E440	G434-G436 PolarHBondContact O-N 3.47Å; G436-L438 VanDerWaalsContact C-N 3.26Å; G436-L438 PolarHBondContact O-N 2.33Å; G436-K439 WeakPolarHBondContact O-CB 3.16Å; G436-K439 PolarHBondContact O-N 3.38Å; G436-K439 VanDerWaalsContact O-N 3.13Å; G436-E440 WeakPolarHBondContact O-CG 3.29Å; G436-E440 PolarHBondContact O-N 3.16Å; G436-E440 VanDerWaalsContact O-N 3.14Å
437	R	96.9	Very high	96.2	Very high	141 Å²	141	53.3 Å²	53.3	53%	0.532	31%	0.314	S	S	.	.	H	α-helix	trans	-67	-27.7	178.5	-168.2	52.6	174.4	169.6	3	113.1	L427 Q432 G434 E440	L427-R437 HydrophobicContact CD1-CB 4.33Å; L427-R437 HydrophobicContact CD1-CG 3.89Å; Q432-R437 WeakPolarHBondContact O-CB 3.14Å; Q432-R437 WeakPolarHBondContact O-CG 3.43Å; G434-R437 PolarHBondContact O-N 3.22Å; R437-E440 WeakPolarHBondContact CD-OE2 3.31Å; R437-E440 IonicContact CZ-OE2 3.77Å; R437-E440 IonicContact NE-OE2 2.7Å; R437-E440 IonicContact NH1-OE2 2.75Å; R437-E440 PolarHBondContact NH1-OE2 2.66Å
438	L	97.8	Very high	96.1	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-71.2	-40	171.9	177.6	54.4	0	0	0	112	L282 Y367 L370 L414 L418 L427 G434 P435 G436 E440 H441 F444	L282-L438 HydrophobicContact CD1-CD2 3.53Å; L282-L438 HydrophobicContact CD1-CG 4.09Å; L282-L438 HydrophobicContact CD2-CD2 4.21Å; L282-L438 HydrophobicContact CD2-CG 3.85Å; Y367-L438 HydrophobicContact CD1-CD2 3.74Å; Y367-L438 HydrophobicContact CE1-CD2 3.97Å; Y367-L438 HydrophobicContact CG-CD2 4.33Å; L370-L438 HydrophobicContact CD2-CD2 4.3Å; L414-L438 HydrophobicContact CD1-CD1 3.63Å; L418-L438 HydrophobicContact CD2-CD1 3.91Å; L418-L438 HydrophobicContact CD2-CD2 4.09Å; L427-L438 HydrophobicContact CB-CD1 4.49Å; L427-L438 HydrophobicContact CD2-CD1 3.63Å; L427-L438 HydrophobicContact CG-CB 4.05Å; L427-L438 HydrophobicContact CG-CD1 3.8Å; L427-L438 HydrophobicContact CG-CG 4.49Å; G434-L438 PolarHBondContact O-N 3.47Å; P435-L438 WeakPolarHBondContact O-CB 3.4Å; P435-L438 PolarHBondContact O-N 2.86Å; G436-L438 VanDerWaalsContact C-N 3.26Å; G436-L438 PolarHBondContact O-N 2.33Å; L438-E440 VanDerWaalsContact C-N 3.26Å; L438-E440 PolarHBondContact O-N 3.21Å; L438-H441 VanDerWaalsContact O-CB 3.31Å; L438-H441 WeakPolarHBondContact O-CB 3.37Å; L438-H441 PolarHBondContact O-N 3.27Å; L438-F444 HydrophobicContact CD1-CE2 4.25Å; L438-F444 WeakPolarHBondContact O-CD2 3.26Å; L438-F444 WeakPolarHBondContact O-CE2 3.39Å
439	K	97.8	Very high	96.1	Very high	38 Å²	38	62 Å²	62	17%	0.165	35%	0.345	C	S	.	.	H	α-helix	trans	-64.2	-27.9	173.8	-73.1	-180	173.8	169.7	0	113.6	L282 E286 P435 G436 H441 W449	L282-K439 HydrophobicContact CD2-CG 3.72Å; L282-K439 HydrophobicContact CG-CG 4.4Å; E286-K439 IonicContact OE1-NZ 3.63Å; E286-K439 PolarHBondContact OE1-NZ 3.17Å; E286-K439 WeakPolarHBondContact OE2-CE 3.36Å; E286-K439 IonicContact OE2-NZ 3.28Å; E286-K439 PolarHBondContact OE2-NZ 2.96Å; P435-K439 WeakPolarHBondContact O-CG 3.22Å; P435-K439 PolarHBondContact O-N 3.4Å; G436-K439 WeakPolarHBondContact O-CB 3.16Å; G436-K439 PolarHBondContact O-N 3.38Å; G436-K439 VanDerWaalsContact O-N 3.13Å; K439-H441 PolarHBondContact O-N 2.93Å; K439-W449 HydrophobicContact CB-CD2 4.36Å; K439-W449 HydrophobicContact CB-CH2 4.14Å; K439-W449 HydrophobicContact CB-CZ2 3.54Å; K439-W449 HydrophobicContact CD-CD2 3.81Å; K439-W449 HydrophobicContact CD-CE3 3.98Å; K439-W449 HydrophobicContact CD-CG 4.25Å; K439-W449 HydrophobicContact CD-CZ2 4.35Å; K439-W449 HydrophobicContact CD-CZ3 4.32Å; K439-W449 HydrophobicContact CG-CD2 4Å; K439-W449 HydrophobicContact CG-CE3 4.07Å; K439-W449 HydrophobicContact CG-CH2 3.72Å; K439-W449 HydrophobicContact CG-CZ2 3.61Å; K439-W449 HydrophobicContact CG-CZ3 3.93Å; K439-W449 WeakPolarHBondContact O-CZ2 3.48Å
440	E	97.5	Very high	96.1	Very high	124 Å²	124	69.8 Å²	69.8	58%	0.579	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-5.5	175.8	-70.4	171.3	-175.4	0	0	114	G436 R437 L438	G436-E440 WeakPolarHBondContact O-CG 3.29Å; G436-E440 PolarHBondContact O-N 3.16Å; G436-E440 VanDerWaalsContact O-N 3.14Å; R437-E440 WeakPolarHBondContact CD-OE2 3.31Å; R437-E440 IonicContact CZ-OE2 3.77Å; R437-E440 IonicContact NE-OE2 2.7Å; R437-E440 IonicContact NH1-OE2 2.75Å; R437-E440 PolarHBondContact NH1-OE2 2.66Å; L438-E440 VanDerWaalsContact C-N 3.26Å; L438-E440 PolarHBondContact O-N 3.21Å
441	H	98.5	Very high	96.1	Very high	10 Å²	10	63.1 Å²	63.1	5%	0.046	36%	0.358	C	S	.	.	S	Bend	trans	-61.7	136.8	-177.8	-159.7	-92.6	0	0	0	111.7	D413 L414 K417 L427 L438 K439 F443 F444	D413-H441 IonicContact OD2-CE1 2.79Å; D413-H441 PolarHBondContact OD2-CE1 3.42Å; D413-H441 VanDerWaalsContact OD2-CE1 3.28Å; D413-H441 IonicContact OD2-NE2 2.84Å; D413-H441 PolarHBondContact OD2-NE2 3.24Å; D413-H441 VanDerWaalsContact OD2-NE2 3.09Å; L414-H441 HydrophobicContact CD1-CB 4.2Å; L414-H441 PolarHBondContact N-CE1 2.99Å; K417-H441 PolarHBondContact NZ-NE2 3.29Å; L427-H441 HydrophobicContact CD2-CB 4.4Å; L438-H441 VanDerWaalsContact O-CB 3.31Å; L438-H441 WeakPolarHBondContact O-CB 3.37Å; L438-H441 PolarHBondContact O-N 3.27Å; K439-H441 PolarHBondContact O-N 2.93Å; H441-F443 PolarHBondContact ND1-N 3.2Å; H441-F443 PolarHBondContact O-N 2.77Å; H441-F444 HydrophobicContact CB-CD2 4Å; H441-F444 HydrophobicContact CB-CE2 4.35Å; H441-F444 PolarHBondContact O-N 2.89Å
442	P	98.1	Very high	96.2	Very high	82 Å²	82	57 Å²	57	53%	0.532	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-56.4	-22	-177.7	-27.5	35	0	0	0	114.9	V410 F444 A445	V410-P442 HydrophobicContact CG1-CB 3.84Å; P442-F444 PolarHBondContact O-N 2.79Å; P442-A445 WeakPolarHBondContact O-CB 3.29Å; P442-A445 PolarHBondContact O-N 3.01Å; P442-A445 VanDerWaalsContact O-N 3.12Å
443	F	98.3	Very high	96	Very high	1 Å²	1	55.2 Å²	55.2	0%	0.004	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-59	-34.2	172.4	-178.5	-107.7	0	0	0	112.7	E271 R275 T278 L374 V410 A411 L414 H441 A445	E271-F443 HydrophobicContact CG-CE2 4.07Å; R275-F443 HydrophobicContact CB-CE1 4.02Å; R275-F443 HydrophobicContact CB-CE2 4.45Å; R275-F443 HydrophobicContact CB-CZ 3.82Å; R275-F443 VanDerWaalsContact CD-O 3.29Å; R275-F443 WeakPolarHBondContact CD-O 3.33Å; R275-F443 HydrophobicContact CG-CE1 4.21Å; R275-F443 HydrophobicContact CG-CZ 4.4Å; R275-F443 WeakPolarHBondContact CG-O 3.48Å; R275-F443 PolarHBondContact NE-O 3.12Å; T278-F443 HydrophobicContact CG2-CE1 4.46Å; L374-F443 HydrophobicContact CD1-CE1 3.69Å; L374-F443 HydrophobicContact CD1-CE2 4.28Å; L374-F443 HydrophobicContact CD1-CZ 3.46Å; L374-F443 VanDerWaalsContact CD1-CZ 3.46Å; L374-F443 HydrophobicContact CD2-CD1 4.33Å; L374-F443 HydrophobicContact CD2-CE1 4.07Å; L374-F443 HydrophobicContact CD2-CZ 4.41Å; V410-F443 HydrophobicContact CG1-CB 4.05Å; V410-F443 VanDerWaalsContact CG1-N 3.32Å; A411-F443 HydrophobicContact CB-CD2 3.75Å; A411-F443 HydrophobicContact CB-CE2 3.72Å; L414-F443 HydrophobicContact CB-CB 4.32Å; L414-F443 HydrophobicContact CD2-CB 3.74Å; L414-F443 HydrophobicContact CD2-CD1 3.39Å; L414-F443 HydrophobicContact CD2-CE1 4.24Å; L414-F443 HydrophobicContact CD2-CG 3.77Å; H441-F443 PolarHBondContact ND1-N 3.2Å; H441-F443 PolarHBondContact O-N 2.77Å; F443-A445 VanDerWaalsContact C-N 3.33Å
444	F	98.2	Very high	96	Very high	5 Å²	5	58.2 Å²	58.2	2%	0.022	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-90.6	11.5	177.8	-56.6	-66.7	0	0	0	113.6	R275 T278 A279 L282 L414 L438 H441 P442 G446 I447 W449	R275-F444 HydrophobicContact CG-CD1 4.46Å; T278-F444 HydrophobicContact CG2-CE1 3.77Å; T278-F444 HydrophobicContact CG2-CZ 3.77Å; A279-F444 HydrophobicContact CB-CD1 4.14Å; A279-F444 HydrophobicContact CB-CE1 4.24Å; L282-F444 HydrophobicContact CD2-CE2 4.05Å; L282-F444 HydrophobicContact CD2-CZ 4.07Å; L414-F444 HydrophobicContact CD2-CE2 3.81Å; L414-F444 HydrophobicContact CD2-CZ 3.85Å; L438-F444 HydrophobicContact CD1-CE2 4.25Å; L438-F444 WeakPolarHBondContact O-CD2 3.26Å; L438-F444 WeakPolarHBondContact O-CE2 3.39Å; H441-F444 HydrophobicContact CB-CD2 4Å; H441-F444 HydrophobicContact CB-CE2 4.35Å; H441-F444 PolarHBondContact O-N 2.89Å; P442-F444 PolarHBondContact O-N 2.79Å; F444-G446 PolarHBondContact O-N 3.02Å; F444-I447 HydrophobicContact CB-CB 4.49Å; F444-I447 HydrophobicContact CB-CG1 4.19Å; F444-I447 WeakPolarHBondContact O-CB 3.47Å; F444-I447 WeakPolarHBondContact O-CG1 3.37Å; F444-I447 PolarHBondContact O-N 3.17Å; F444-W449 HydrophobicContact CB-CH2 4.03Å; F444-W449 HydrophobicContact CB-CZ2 3.58Å; F444-W449 AromaticContact CD1-CH2 3.81Å; F444-W449 HydrophobicContact CD1-CH2 3.81Å; F444-W449 HydrophobicContact CD1-CZ2 4.26Å; F444-W449 HydrophobicContact CD2-CH2 4.17Å; F444-W449 HydrophobicContact CD2-CZ2 4.21Å; F444-W449 HydrophobicContact CE1-CH2 4.27Å; F444-W449 AromaticContact CG-CH2 3.75Å; F444-W449 HydrophobicContact CG-CH2 3.75Å; F444-W449 AromaticContact CG-CZ2 3.79Å; F444-W449 HydrophobicContact CG-CZ2 3.79Å
445	A	96.2	Very high	95.9	Very high	70 Å²	70	60.2 Å²	60.2	58%	0.579	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	129	175.9	0	0	0	0	0	111.1	P442 F443	P442-A445 WeakPolarHBondContact O-CB 3.29Å; P442-A445 PolarHBondContact O-N 3.01Å; P442-A445 VanDerWaalsContact O-N 3.12Å; F443-A445 VanDerWaalsContact C-N 3.33Å
446	G	93.9	Very high	95.8	Very high	75 Å²	75	66.9 Å²	66.9	77%	0.773	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.8	-9.1	-176.6	0	0	0	0	0	115.7	F444 R448	F444-G446 PolarHBondContact O-N 3.02Å; G446-R448 PolarHBondContact O-N 3.15Å
447	I	96.5	Very high	95.7	Very high	25 Å²	25	65.8 Å²	65.8	13%	0.128	35%	0.351	C	S	.	.			trans	-69.5	126.3	174.2	-64.6	-63.9	0	0	0	110.5	R275 A279 F444 W449	R275-I447 HydrophobicContact CG-CD1 4.04Å; R275-I447 HydrophobicContact CG-CG1 4.1Å; A279-I447 HydrophobicContact CB-CD1 4.19Å; A279-I447 HydrophobicContact CB-CG1 4.2Å; A279-I447 HydrophobicContact CB-CG2 3.99Å; F444-I447 HydrophobicContact CB-CB 4.49Å; F444-I447 HydrophobicContact CB-CG1 4.19Å; F444-I447 WeakPolarHBondContact O-CB 3.47Å; F444-I447 WeakPolarHBondContact O-CG1 3.37Å; F444-I447 PolarHBondContact O-N 3.17Å; I447-W449 HydrophobicContact CB-CZ2 4.25Å; I447-W449 HydrophobicContact CG2-CD2 3.7Å; I447-W449 HydrophobicContact CG2-CE3 3.82Å; I447-W449 HydrophobicContact CG2-CG 4.26Å; I447-W449 HydrophobicContact CG2-CH2 4.09Å; I447-W449 HydrophobicContact CG2-CZ2 3.98Å; I447-W449 HydrophobicContact CG2-CZ3 4.02Å; I447-W449 PolarHBondContact O-N 3.24Å
448	R	95.2	Very high	95.5	Very high	152 Å²	152	60.9 Å²	60.9	57%	0.574	34%	0.338	S	S	*	.			trans	-96.3	85.9	174.9	-61.9	-177.9	-62.4	172.8	3.2	109.6	G446 D450 S451 L452 E455	G446-R448 PolarHBondContact O-N 3.15Å; R448-D450 VanDerWaalsContact C-N 3.31Å; R448-D450 PolarHBondContact O-N 2.7Å; R448-S451 WeakPolarHBondContact CB-OG 3.4Å; R448-S451 PolarHBondContact O-N 3.22Å; R448-S451 VanDerWaalsContact O-N 3.13Å; R448-S451 PolarHBondContact O-OG 3.26Å; R448-L452 PolarHBondContact O-N 2.88Å; R448-E455 IonicContact CZ-OE2 2.63Å; R448-E455 VanDerWaalsContact CZ-OE2 3.28Å; R448-E455 IonicContact NE-OE2 3.81Å; R448-E455 PolarHBondContact NE-OE2 2.73Å; R448-E455 IonicContact NH2-OE2 3.79Å; R448-E455 PolarHBondContact NH2-OE2 2.84Å
449	W	96.4	Very high	94.9	Very high	54 Å²	54	67.2 Å²	67.2	21%	0.205	37%	0.367	C	S	.	.	G	3₁₀ helix	trans	-51.1	-44	-171.2	-60.4	103.6	0	0	0	114.3	A279 L282 V283 K439 F444 I447 S451 L452	A279-W449 HydrophobicContact CB-CH2 3.89Å; A279-W449 HydrophobicContact CB-CZ3 3.66Å; L282-W449 HydrophobicContact CD2-CH2 3.89Å; L282-W449 HydrophobicContact CD2-CZ3 4.17Å; V283-W449 HydrophobicContact CG2-CE3 3.69Å; V283-W449 HydrophobicContact CG2-CZ3 4Å; K439-W449 HydrophobicContact CB-CD2 4.36Å; K439-W449 HydrophobicContact CB-CH2 4.14Å; K439-W449 HydrophobicContact CB-CZ2 3.54Å; K439-W449 HydrophobicContact CD-CD2 3.81Å; K439-W449 HydrophobicContact CD-CE3 3.98Å; K439-W449 HydrophobicContact CD-CG 4.25Å; K439-W449 HydrophobicContact CD-CZ2 4.35Å; K439-W449 HydrophobicContact CD-CZ3 4.32Å; K439-W449 HydrophobicContact CG-CD2 4Å; K439-W449 HydrophobicContact CG-CE3 4.07Å; K439-W449 HydrophobicContact CG-CH2 3.72Å; K439-W449 HydrophobicContact CG-CZ2 3.61Å; K439-W449 HydrophobicContact CG-CZ3 3.93Å; K439-W449 WeakPolarHBondContact O-CZ2 3.48Å; F444-W449 HydrophobicContact CB-CH2 4.03Å; F444-W449 HydrophobicContact CB-CZ2 3.58Å; F444-W449 AromaticContact CD1-CH2 3.81Å; F444-W449 HydrophobicContact CD1-CH2 3.81Å; F444-W449 HydrophobicContact CD1-CZ2 4.26Å; F444-W449 HydrophobicContact CD2-CH2 4.17Å; F444-W449 HydrophobicContact CD2-CZ2 4.21Å; F444-W449 HydrophobicContact CE1-CH2 4.27Å; F444-W449 AromaticContact CG-CH2 3.75Å; F444-W449 HydrophobicContact CG-CH2 3.75Å; F444-W449 AromaticContact CG-CZ2 3.79Å; F444-W449 HydrophobicContact CG-CZ2 3.79Å; I447-W449 HydrophobicContact CB-CZ2 4.25Å; I447-W449 HydrophobicContact CG2-CD2 3.7Å; I447-W449 HydrophobicContact CG2-CE3 3.82Å; I447-W449 HydrophobicContact CG2-CG 4.26Å; I447-W449 HydrophobicContact CG2-CH2 4.09Å; I447-W449 HydrophobicContact CG2-CZ2 3.98Å; I447-W449 HydrophobicContact CG2-CZ3 4.02Å; I447-W449 PolarHBondContact O-N 3.24Å; W449-S451 PolarHBondContact O-N 2.7Å; W449-L452 WeakPolarHBondContact O-CB 3.23Å; W449-L452 PolarHBondContact O-N 3.12Å
450	D	93.1	Very high	94.2	Very high	167 Å²	167	66.1 Å²	66.1	89%	0.893	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-71.8	-29.4	-176.6	-56.9	-38	0	0	0	113.6	R448	R448-D450 VanDerWaalsContact C-N 3.31Å; R448-D450 PolarHBondContact O-N 2.7Å
451	S	94.2	Very high	92.8	Very high	33 Å²	33	65.3 Å²	65.3	23%	0.231	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-96.2	-3.1	178.1	64.6	0	0	0	0	113.6	R448 W449 P453 T454 E455	R448-S451 WeakPolarHBondContact CB-OG 3.4Å; R448-S451 PolarHBondContact O-N 3.22Å; R448-S451 VanDerWaalsContact O-N 3.13Å; R448-S451 PolarHBondContact O-OG 3.26Å; W449-S451 PolarHBondContact O-N 2.7Å; S451-P453 VanDerWaalsContact C-CD 3.46Å; S451-P453 VanDerWaalsContact C-N 3.34Å; S451-T454 CarbonylContact O-C 3.4Å; S451-T454 PolarHBondContact O-N 3.32Å; S451-T454 PolarHBondContact O-OG1 3.47Å; S451-T454 VanDerWaalsContact O-OG1 3.04Å; S451-E455 PolarHBondContact O-N 2.96Å
452	L	95	Very high	90.8	Very high	0 Å²	0	66.2 Å²	66.2	0%	0	37%	0.369	C	S	.	.	G	3₁₀ helix	trans	-53.9	-41.3	-175.2	-171.8	64.1	0	0	0	113.3	F233 F276 A279 E280 V283 R448 W449 T454 E455	F233-L452 HydrophobicContact CE2-CD2 4.22Å; F233-L452 HydrophobicContact CE2-CG 4.29Å; F233-L452 HydrophobicContact CZ-CG 4.15Å; F276-L452 HydrophobicContact CD2-CD1 3.95Å; F276-L452 HydrophobicContact CE2-CD1 3.55Å; F276-L452 HydrophobicContact CZ-CD1 4.01Å; A279-L452 HydrophobicContact CB-CD2 3.87Å; E280-L452 HydrophobicContact CG-CD1 4.37Å; E280-L452 HydrophobicContact CG-CD2 3.96Å; E280-L452 HydrophobicContact CG-CG 4.06Å; V283-L452 HydrophobicContact CG2-CD2 4.18Å; R448-L452 PolarHBondContact O-N 2.88Å; W449-L452 WeakPolarHBondContact O-CB 3.23Å; W449-L452 PolarHBondContact O-N 3.12Å; L452-T454 PolarHBondContact O-N 3.21Å; L452-T454 VanDerWaalsContact O-N 3.12Å; L452-E455 PolarHBondContact O-N 3.09Å
453	P	92.7	Very high	88.6	Confident	46 Å²	46	64.8 Å²	64.8	30%	0.299	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-68.5	-6.4	176.7	-19.8	33.9	0	0	0	115.9	P232 F233 S451	P232-P453 HydrophobicContact CB-CB 4.08Å; P232-P453 HydrophobicContact CG-CB 3.71Å; P232-P453 HydrophobicContact CG-CG 3.86Å; F233-P453 HydrophobicContact CE1-CB 4.28Å; F233-P453 HydrophobicContact CE2-CG 4.06Å; F233-P453 HydrophobicContact CZ-CB 3.97Å; F233-P453 HydrophobicContact CZ-CG 3.85Å; S451-P453 VanDerWaalsContact C-CD 3.46Å; S451-P453 VanDerWaalsContact C-N 3.34Å
454	T	93.5	Very high	86.3	Confident	120 Å²	120	65.1 Å²	65.1	74%	0.736	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-121.3	-2.2	177	61.5	0	0	0	0	112.7	S451 L452	S451-T454 CarbonylContact O-C 3.4Å; S451-T454 PolarHBondContact O-N 3.32Å; S451-T454 PolarHBondContact O-OG1 3.47Å; S451-T454 VanDerWaalsContact O-OG1 3.04Å; L452-T454 PolarHBondContact O-N 3.21Å; L452-T454 VanDerWaalsContact O-N 3.12Å
455	E	92.8	Very high	83.7	Confident	52 Å²	52	69.5 Å²	69.5	24%	0.243	38%	0.384	C	S	.	.	S	Bend	trans	-82.1	123.1	178.1	-175.3	164.3	141.9	0	0	110.1	F276 H310 R448 S451 L452 P457	F276-E455 HydrophobicContact CE2-CB 4.5Å; F276-E455 HydrophobicContact CE2-CG 4.41Å; H310-E455 PolarHBondContact CE1-O 2.72Å; R448-E455 IonicContact CZ-OE2 2.63Å; R448-E455 VanDerWaalsContact CZ-OE2 3.28Å; R448-E455 IonicContact NE-OE2 3.81Å; R448-E455 PolarHBondContact NE-OE2 2.73Å; R448-E455 IonicContact NH2-OE2 3.79Å; R448-E455 PolarHBondContact NH2-OE2 2.84Å; S451-E455 PolarHBondContact O-N 2.96Å; L452-E455 PolarHBondContact O-N 3.09Å; E455-P457 VanDerWaalsContact O-CD 3.26Å; E455-P457 WeakPolarHBondContact O-CD 3.49Å; E455-P457 VanDerWaalsContact O-N 3.15Å
456	K	93.5	Very high	81.1	Confident	174 Å²	174	68.7 Å²	68.7	76%	0.757	38%	0.383	S	S	*	.	P	Polyproline II helix	trans	-56.2	119.1	179.7	-178	177.8	-178.9	174.8	0	110.8
457	P	93.5	Very high	78.8	Confident	12 Å²	12	66.7 Å²	66.7	8%	0.078	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-58	147	-179	-27.8	36.4	0	0	0	113.1	F276 E308 M309 E455	F276-P457 HydrophobicContact CD1-CB 4.23Å; F276-P457 HydrophobicContact CE1-CB 3.57Å; F276-P457 HydrophobicContact CE1-CG 3.73Å; F276-P457 HydrophobicContact CZ-CB 3.85Å; F276-P457 HydrophobicContact CZ-CG 3.76Å; E308-P457 WeakPolarHBondContact O-CG 3.28Å; M309-P457 HydrophobicContact CB-CB 4.11Å; M309-P457 HydrophobicContact CB-CG 4.18Å; E455-P457 VanDerWaalsContact O-CD 3.26Å; E455-P457 WeakPolarHBondContact O-CD 3.49Å; E455-P457 VanDerWaalsContact O-N 3.15Å
458	P	92.6	Very high	75.9	Confident	38 Å²	38	70.5 Å²	70.5	25%	0.247	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-63.5	144.4	174.5	28.6	-34.9	0	0	0	110.3	V273 F276 I460	V273-P458 HydrophobicContact CB-CG 4.47Å; V273-P458 HydrophobicContact CG2-CB 4.11Å; V273-P458 HydrophobicContact CG2-CG 4.13Å; F276-P458 HydrophobicContact CB-CG 3.71Å; F276-P458 HydrophobicContact CD1-CG 4.32Å; F276-P458 HydrophobicContact CD2-CG 4.38Å; F276-P458 HydrophobicContact CG-CG 3.89Å; P458-I460 PolarHBondContact O-N 3.44Å
459	Q	85.9	Confident	73.1	Confident	133 Å²	133	68.7 Å²	68.7	62%	0.621	39%	0.386	S	S	*	.	P	Polyproline II helix	trans	-66.3	121.5	-177.9	-67.7	-172.3	1.8	0	0	111	L461	Q459-L461 VanDerWaalsContact C-N 3.3Å; Q459-L461 HydrophobicContact CB-CD1 4.48Å; Q459-L461 HydrophobicContact CB-CD2 4.2Å; Q459-L461 HydrophobicContact CB-CG 3.92Å; Q459-L461 PolarHBondContact O-N 2.92Å
460	I	83.7	Confident	70.2	Confident	16 Å²	16	71.1 Å²	71.1	8%	0.082	41%	0.409	C	S	.	.			trans	-75.6	84.3	170.6	-49.9	-171.5	0	0	0	109	W262 L266 F269 V273 Y277 L305 M309 P458	W262-I460 HydrophobicContact CD2-CD1 4.34Å; W262-I460 HydrophobicContact CE3-CB 4.01Å; W262-I460 HydrophobicContact CE3-CD1 4.31Å; W262-I460 HydrophobicContact CE3-CG2 3.74Å; W262-I460 HydrophobicContact CG-CD1 4.46Å; W262-I460 HydrophobicContact CZ3-CB 4.19Å; W262-I460 HydrophobicContact CZ3-CG2 4.33Å; L266-I460 HydrophobicContact CD1-CG2 3.14Å; L266-I460 HydrophobicContact CG-CG2 4.49Å; F269-I460 HydrophobicContact CD1-CG2 4.49Å; F269-I460 HydrophobicContact CE1-CG2 4.29Å; V273-I460 HydrophobicContact CG1-CG1 4.09Å; Y277-I460 HydrophobicContact CE2-CD1 3.54Å; Y277-I460 HydrophobicContact CE2-CG1 3.83Å; L305-I460 HydrophobicContact CD1-CD1 4.19Å; M309-I460 HydrophobicContact CE-CB 4.4Å; M309-I460 HydrophobicContact CE-CD1 3.45Å; M309-I460 VanDerWaalsContact CE-CD1 3.45Å; M309-I460 HydrophobicContact CE-CG1 3.84Å; P458-I460 PolarHBondContact O-N 3.44Å
461	L	66.6	Low	67.9	Low	106 Å²	106	67.1 Å²	67.1	56%	0.555	38%	0.384	S	S	*	.			trans	-87.6	133.2	-177.3	-68.6	177.6	0	0	0	112.4	Q459 Y463	Q459-L461 VanDerWaalsContact C-N 3.3Å; Q459-L461 HydrophobicContact CB-CD1 4.48Å; Q459-L461 HydrophobicContact CB-CD2 4.2Å; Q459-L461 HydrophobicContact CB-CG 3.92Å; Q459-L461 PolarHBondContact O-N 2.92Å; L461-Y463 PolarHBondContact O-N 3.05Å
462	P	56.6	Low	65.4	Low	30 Å²	30	69.2 Å²	69.2	20%	0.195	40%	0.404	C	S	.	.			trans	-70	124.9	164.1	31	-32.6	0	0	0	109.7	L266 L464 V467	L266-P462 HydrophobicContact CD2-CB 3.59Å; P462-L464 WeakPolarHBondContact CB-O 3.42Å; P462-L464 PolarHBondContact O-N 2.97Å; P462-V467 HydrophobicContact CB-CB 4.36Å; P462-V467 HydrophobicContact CB-CG2 4.23Å
463	Y	52.7	Low	63.2	Low	52 Å²	52	72 Å²	72	20%	0.204	43%	0.433	C	S	.	.	S	Bend	trans	-50	-29.9	164.6	-67.7	-70	0	0	0	111.9	E270 L461 K595 N596 F601	E270-Y463 HydrophobicContact CG-CE1 4.4Å; E270-Y463 WeakPolarHBondContact CG-OH 3.33Å; L461-Y463 PolarHBondContact O-N 3.05Å; Y463-K595 HydrophobicContact CD1-CB 3.67Å; Y463-K595 HydrophobicContact CD1-CD 3.95Å; Y463-K595 HydrophobicContact CD1-CG 4.11Å; Y463-K595 HydrophobicContact CD2-CB 4.16Å; Y463-K595 HydrophobicContact CE1-CB 4.13Å; Y463-K595 HydrophobicContact CE1-CD 4.45Å; Y463-K595 HydrophobicContact CG-CB 3.67Å; Y463-K595 HydrophobicContact CG-CG 4.31Å; Y463-K595 PolarHBondContact OH-O 3.36Å; Y463-N596 WeakPolarHBondContact CD2-ND2 3.23Å; Y463-N596 HydrophobicContact CE2-CB 4.16Å; Y463-N596 WeakPolarHBondContact CE2-ND2 3.02Å; Y463-F601 VanDerWaalsContact O-CE2 3.31Å; Y463-F601 WeakPolarHBondContact O-CE2 3.22Å; Y463-F601 WeakPolarHBondContact O-CZ 3.26Å
464	L	50	Low	61	Low	7 Å²	7	71.3 Å²	71.3	4%	0.037	43%	0.425	C	S	.	.	S	Bend	trans	-90.9	119	178.9	-67.7	166	0	0	0	111.8	P462 G466 V467 R552 I599 F601 Y610	P462-L464 WeakPolarHBondContact CB-O 3.42Å; P462-L464 PolarHBondContact O-N 2.97Å; L464-G466 PolarHBondContact O-N 3.4Å; L464-V467 HydrophobicContact CB-CG2 3.94Å; L464-R552 VanDerWaalsContact CD1-CZ 3.43Å; L464-I599 HydrophobicContact CD1-CD1 3.81Å; L464-I599 HydrophobicContact CD2-CG2 4.45Å; L464-I599 HydrophobicContact CG-CD1 4.3Å; L464-I599 HydrophobicContact CG-CG2 4.34Å; L464-F601 HydrophobicContact CD2-CE1 3.5Å; L464-F601 HydrophobicContact CD2-CZ 3.77Å; L464-F601 HydrophobicContact CG-CE1 4.24Å; L464-F601 HydrophobicContact CG-CZ 4.23Å; L464-Y610 HydrophobicContact CD2-CD1 3.69Å; L464-Y610 HydrophobicContact CD2-CG 3.96Å
465	P	43.3	Very low	58.9	Low	97 Å²	97	69.1 Å²	69.1	63%	0.63	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	133.4	173	-23.8	34.3	0	0	0	112.3	Y610	P465-Y610 HydrophobicContact CG-CE1 4.47Å
466	G	41.8	Very low	57.1	Low	54 Å²	54	74.8 Å²	74.8	56%	0.557	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	98.3	9.9	168.1	0	0	0	0	0	117.7	L464 V468 L555	L464-G466 PolarHBondContact O-N 3.4Å; G466-V468 VanDerWaalsContact C-N 3.34Å; G466-L555 WeakPolarHBondContact O-CD2 3.43Å
467	V	44.6	Very low	55.2	Low	32 Å²	32	72.3 Å²	72.3	19%	0.194	43%	0.434	C	S	.	.			trans	-90.9	13.5	178.5	-148.8	0	0	0	0	113.6	K265 P462 L464 T469	K265-V467 WeakPolarHBondContact CE-O 3.27Å; K265-V467 HydrophobicContact CG-CG1 4.03Å; K265-V467 PolarHBondContact NZ-O 3.26Å; P462-V467 HydrophobicContact CB-CB 4.36Å; P462-V467 HydrophobicContact CB-CG2 4.23Å; L464-V467 HydrophobicContact CB-CG2 3.94Å; V467-T469 PolarHBondContact O-N 3.33Å
468	V	36.9	Very low	53.5	Low	105 Å²	105	74.4 Å²	74.4	64%	0.636	44%	0.442	S	S	*	.			trans	-88.8	86.5	177.4	-170.1	0	0	0	0	109.8	G466 P470	G466-V468 VanDerWaalsContact C-N 3.34Å; V468-P470 HydrophobicContact CG1-CG 4.4Å; V468-P470 WeakPolarHBondContact O-CD 3.36Å
469	T	35	Very low	51.9	Low	115 Å²	115	82.7 Å²	82.7	71%	0.706	47%	0.468	S	S	*	.			trans	-80.4	115.2	141.9	40.2	0	0	0	0	107.1	V467	V467-T469 PolarHBondContact O-N 3.33Å
470	P	36	Very low	50.8	Low	105 Å²	105	82.9 Å²	82.9	68%	0.682	47%	0.474	S	S	*	.	P	Polyproline II helix	trans	-57.5	141.9	159.5	-17.2	31.4	0	0	0	107.8	V468 A472	V468-P470 HydrophobicContact CG1-CG 4.4Å; V468-P470 WeakPolarHBondContact O-CD 3.36Å; P470-A472 PolarHBondContact O-N 3.4Å
471	Q	44.7	Very low	50.2	Low	82 Å²	82	84.3 Å²	84.3	38%	0.383	48%	0.482	S	S	.	.	P	Polyproline II helix	trans	-60.5	124.7	157.9	-69.1	-150.3	36.8	0	0	106.3	Q255 N256 G473	Q255-Q471 PolarHBondContact O-OE1 3.13Å; N256-Q471 VanDerWaalsContact C-NE2 3.27Å; N256-Q471 PolarHBondContact O-NE2 2.95Å; Q471-G473 PolarHBondContact O-N 3.35Å; Q471-G473 VanDerWaalsContact O-N 3.13Å
472	A	41.7	Very low	50.5	Low	78 Å²	78	85 Å²	85	65%	0.645	48%	0.482	S	S	*	.	P	Polyproline II helix	trans	-58.3	124.2	179.7	0	0	0	0	0	108.6	P470	P470-A472 PolarHBondContact O-N 3.4Å
473	G	49.1	Very low	51.5	Low	58 Å²	58	86.4 Å²	86.4	60%	0.598	49%	0.491	S	S	*	.	P	Polyproline II helix	trans	-58.6	168.8	169.7	0	0	0	0	0	110.6	Q471 P475	Q471-G473 PolarHBondContact O-N 3.35Å; Q471-G473 VanDerWaalsContact O-N 3.13Å; G473-P475 VanDerWaalsContact O-N 3.12Å
474	F	47.1	Very low	52.7	Low	32 Å²	32	84 Å²	84	14%	0.14	48%	0.482	C	S	.	.	P	Polyproline II helix	trans	-55.2	122.1	178.5	-71.2	-83.2	0	0	0	110.1	I174 A187 I189 E196 F253 E476 F478	I174-F474 HydrophobicContact CB-CD1 4.17Å; I174-F474 HydrophobicContact CB-CE1 4.14Å; I174-F474 HydrophobicContact CD1-CD1 3.39Å; I174-F474 HydrophobicContact CD1-CE1 3.71Å; I174-F474 HydrophobicContact CD1-CG 4.46Å; I174-F474 HydrophobicContact CG1-CD1 4.32Å; I174-F474 HydrophobicContact CG1-CE1 4.42Å; I174-F474 HydrophobicContact CG2-CD1 3.97Å; I174-F474 HydrophobicContact CG2-CE1 4.35Å; A187-F474 HydrophobicContact CB-CE1 3.84Å; A187-F474 HydrophobicContact CB-CZ 3.87Å; I189-F474 HydrophobicContact CD1-CD1 4.39Å; E196-F474 HydrophobicContact CB-CE2 3.92Å; E196-F474 HydrophobicContact CB-CZ 4.25Å; E196-F474 HydrophobicContact CG-CD2 3.89Å; E196-F474 HydrophobicContact CG-CE2 3.53Å; E196-F474 HydrophobicContact CG-CZ 4.19Å; E196-F474 WeakPolarHBondContact OE1-CD2 3.34Å; E196-F474 WeakPolarHBondContact OE2-CE2 3.42Å; F253-F474 AromaticContact CD1-CE2 3.68Å; F253-F474 HydrophobicContact CD1-CE2 3.68Å; F253-F474 AromaticContact CD1-CZ 3.73Å; F253-F474 HydrophobicContact CD1-CZ 3.73Å; F253-F474 AromaticContact CE1-CE2 3.44Å; F253-F474 HydrophobicContact CE1-CE2 3.44Å; F253-F474 VanDerWaalsContact CE1-CE2 3.44Å; F253-F474 AromaticContact CE1-CZ 3.47Å; F253-F474 HydrophobicContact CE1-CZ 3.47Å; F253-F474 VanDerWaalsContact CE1-CZ 3.47Å; F253-F474 HydrophobicContact CZ-CZ 4.24Å; F474-E476 PolarHBondContact O-N 2.95Å; F474-F478 HydrophobicContact CB-CD1 4.24Å
475	P	49.8	Very low	54	Low	74 Å²	74	84.3 Å²	84.3	48%	0.481	48%	0.483	S	S	.	.	P	Polyproline II helix	trans	-66.2	127.6	-174.2	26	-33.6	0	0	0	108.7	G473 N477 F478	G473-P475 VanDerWaalsContact O-N 3.12Å; P475-N477 CarbonylContact O-C 3.53Å; P475-N477 PolarHBondContact O-N 3.41Å; P475-F478 WeakPolarHBondContact O-CB 3.17Å; P475-F478 WeakPolarHBondContact O-CD1 3.44Å; P475-F478 PolarHBondContact O-N 2.75Å
476	E	53	Low	55.5	Low	171 Å²	171	83.4 Å²	83.4	80%	0.799	47%	0.473	S	S	*	.	G	3₁₀ helix	trans	-50.9	-27.7	-172.7	-65.2	-158.9	153.2	0	0	114.2	F474 F478	F474-E476 PolarHBondContact O-N 2.95Å; E476-F478 PolarHBondContact O-N 3.45Å
477	N	54.3	Low	56.6	Low	122 Å²	122	86.2 Å²	86.2	65%	0.652	48%	0.475	S	S	*	.	G	3₁₀ helix	trans	-64.6	-1.3	173.3	-57.8	-8.5	0	0	0	114.3	P475 R479 N480	P475-N477 CarbonylContact O-C 3.53Å; P475-N477 PolarHBondContact O-N 3.41Å; N477-R479 PolarHBondContact O-N 3.09Å; N477-R479 VanDerWaalsContact O-N 3.09Å; N477-N480 WeakPolarHBondContact O-CB 3.42Å; N477-N480 PolarHBondContact O-N 2.9Å
478	F	59.1	Low	57.7	Low	56 Å²	56	91 Å²	91	25%	0.246	49%	0.493	C	S	.	.	G	3₁₀ helix	trans	-57	-25.5	179.4	70.8	-105.8	0	0	0	112.6	I174 I189 F474 P475 E476 N480 L481	I174-F478 HydrophobicContact CD1-CB 3.93Å; I174-F478 HydrophobicContact CD1-CG 4.44Å; I189-F478 HydrophobicContact CD1-CD1 4.27Å; I189-F478 HydrophobicContact CD1-CD2 3.63Å; I189-F478 HydrophobicContact CD1-CE1 4.28Å; I189-F478 HydrophobicContact CD1-CE2 3.64Å; I189-F478 HydrophobicContact CD1-CG 3.99Å; I189-F478 HydrophobicContact CD1-CZ 3.98Å; F474-F478 HydrophobicContact CB-CD1 4.24Å; P475-F478 WeakPolarHBondContact O-CB 3.17Å; P475-F478 WeakPolarHBondContact O-CD1 3.44Å; P475-F478 PolarHBondContact O-N 2.75Å; E476-F478 PolarHBondContact O-N 3.45Å; F478-N480 PolarHBondContact O-N 3.24Å; F478-N480 VanDerWaalsContact O-N 3.15Å; F478-L481 HydrophobicContact CB-CD1 4.46Å; F478-L481 WeakPolarHBondContact O-CB 3.41Å; F478-L481 PolarHBondContact O-N 3.06Å
479	R	57.2	Low	59.1	Low	211 Å²	211	86.7 Å²	86.7	80%	0.796	47%	0.466	S	S	*	.	G	3₁₀ helix	trans	-61.6	-16.6	174.6	-63.9	-176.6	178.1	179	0.9	113.9	N477	N477-R479 PolarHBondContact O-N 3.09Å; N477-R479 VanDerWaalsContact O-N 3.09Å
480	N	64.1	Low	60.4	Low	137 Å²	137	82.8 Å²	82.8	73%	0.733	44%	0.441	S	S	*	.	G	3₁₀ helix	trans	-91.6	0.8	176.1	-59	-16.2	0	0	0	112.8	N477 F478	N477-N480 WeakPolarHBondContact O-CB 3.42Å; N477-N480 PolarHBondContact O-N 2.9Å; F478-N480 PolarHBondContact O-N 3.24Å; F478-N480 VanDerWaalsContact O-N 3.15Å
481	L	69.9	Low	61.4	Low	47 Å²	47	81.8 Å²	81.8	25%	0.246	43%	0.433	C	S	.	.	S	Bend	trans	-91.7	128.2	178.3	-61.1	176.5	0	0	0	110.4	V172 I174 F478	V172-L481 HydrophobicContact CG1-CB 3.57Å; V172-L481 HydrophobicContact CG1-CD1 4.28Å; I174-L481 HydrophobicContact CG1-CD1 4.11Å; I174-L481 HydrophobicContact CG2-CD1 4.46Å; F478-L481 HydrophobicContact CB-CD1 4.46Å; F478-L481 WeakPolarHBondContact O-CB 3.41Å; F478-L481 PolarHBondContact O-N 3.06Å
482	E	74.1	Confident	62.7	Low	121 Å²	121	82.8 Å²	82.8	57%	0.565	43%	0.433	S	S	*	.	P	Polyproline II helix	trans	-69.8	136.4	176	-62.6	172.6	142.7	0	0	110.4	K488 Q489	E482-K488 IonicContact OE2-NZ 2.7Å; E482-K488 PolarHBondContact OE2-NZ 2.9Å; E482-Q489 PolarHBondContact O-NE2 3.25Å
483	P	76.9	Confident	63.7	Low	59 Å²	59	79.7 Å²	79.7	38%	0.383	41%	0.406	S	S	.	.	S	Bend	trans	-62.9	157.9	170.7	-19.8	31	0	0	0	113.2	N169 F171 V172 Q489	N169-P483 WeakPolarHBondContact O-CB 3.42Å; F171-P483 VanDerWaalsContact O-CA 3.31Å; F171-P483 WeakPolarHBondContact O-CA 3.41Å; V172-P483 HydrophobicContact CG2-CB 4.19Å; V172-P483 HydrophobicContact CG2-CG 3.84Å; P483-Q489 PolarHBondContact O-NE2 3.36Å
484	G	77.2	Confident	64	Low	1 Å²	1	80.5 Å²	80.5	1%	0.01	40%	0.396	C	S	.	.	B	Isolated β-bridge	trans	119.5	177.5	179.5	0	0	0	0	0	114.8	P168 N169 F171 F173 Q489	P168-G484 WeakPolarHBondContact O-CA 3.41Å; P168-G484 PolarHBondContact O-N 3.37Å; N169-G484 WeakPolarHBondContact OD1-CA 3.24Å; F171-G484 PolarHBondContact O-N 2.73Å; F173-G484 WeakPolarHBondContact CD2-O 3.46Å; G484-Q489 VanDerWaalsContact C-CD 3.47Å; G484-Q489 PolarHBondContact O-NE2 2.82Å; G484-Q489 PolarHBondContact O-OE1 3.36Å
485	F	78.4	Confident	64	Low	14 Å²	14	81.6 Å²	81.6	6%	0.061	42%	0.416	C	S	.	.			trans	-142.5	56.7	175.5	-161.1	-105.1	0	0	0	112.1	P168 F173 F186 V201 R246 Y248 L490 L493	P168-F485 HydrophobicContact CB-CB 4Å; F173-F485 HydrophobicContact CB-CD2 4.38Å; F173-F485 AromaticContact CD1-CD2 3.35Å; F173-F485 HydrophobicContact CD1-CD2 3.35Å; F173-F485 AromaticContact CD1-CE2 3.63Å; F173-F485 HydrophobicContact CD1-CE2 3.63Å; F173-F485 HydrophobicContact CD1-CG 4.36Å; F173-F485 HydrophobicContact CD2-CB 4.28Å; F173-F485 HydrophobicContact CD2-CD2 4.01Å; F173-F485 HydrophobicContact CE1-CB 4.43Å; F173-F485 AromaticContact CE1-CD2 3.4Å; F173-F485 HydrophobicContact CE1-CD2 3.4Å; F173-F485 VanDerWaalsContact CE1-CD2 3.4Å; F173-F485 AromaticContact CE1-CE2 3.78Å; F173-F485 HydrophobicContact CE1-CE2 3.78Å; F173-F485 HydrophobicContact CE1-CG 4.03Å; F173-F485 HydrophobicContact CE2-CB 3.83Å; F173-F485 HydrophobicContact CE2-CD2 4.06Å; F173-F485 HydrophobicContact CE2-CG 4.3Å; F173-F485 AromaticContact CG-CD2 3.67Å; F173-F485 HydrophobicContact CG-CD2 3.67Å; F173-F485 HydrophobicContact CG-CE2 4.28Å; F173-F485 HydrophobicContact CZ-CB 3.9Å; F173-F485 AromaticContact CZ-CD2 3.76Å; F173-F485 HydrophobicContact CZ-CD2 3.76Å; F173-F485 AromaticContact CZ-CG 3.99Å; F173-F485 HydrophobicContact CZ-CG 3.99Å; F186-F485 AromaticContact CD2-CE2 3.86Å; F186-F485 HydrophobicContact CD2-CE2 3.86Å; F186-F485 HydrophobicContact CD2-CZ 4.1Å; F186-F485 HydrophobicContact CE1-CE2 4.28Å; F186-F485 AromaticContact CE2-CE2 3.56Å; F186-F485 HydrophobicContact CE2-CE2 3.56Å; F186-F485 AromaticContact CE2-CZ 3.38Å; F186-F485 HydrophobicContact CE2-CZ 3.38Å; F186-F485 HydrophobicContact CG-CE2 4.33Å; F186-F485 AromaticContact CZ-CE2 3.8Å; F186-F485 HydrophobicContact CZ-CE2 3.8Å; F186-F485 AromaticContact CZ-CZ 3.63Å; F186-F485 HydrophobicContact CZ-CZ 3.63Å; V201-F485 HydrophobicContact CB-CE1 4.47Å; V201-F485 HydrophobicContact CG1-CD1 4.37Å; V201-F485 HydrophobicContact CG1-CE1 3.83Å; V201-F485 HydrophobicContact CG1-CZ 4.35Å; V201-F485 HydrophobicContact CG2-CE1 4.28Å; V201-F485 HydrophobicContact CG2-CE2 4.48Å; V201-F485 HydrophobicContact CG2-CZ 4.15Å; R246-F485 PolarHBondContact NH1-O 3.46Å; R246-F485 VanDerWaalsContact NH1-O 3.08Å; Y248-F485 HydrophobicContact CE1-CB 4.36Å; Y248-F485 HydrophobicContact CE1-CD1 4.1Å; Y248-F485 HydrophobicContact CE1-CG 4.34Å; F485-L490 HydrophobicContact CE1-CD1 4.22Å; F485-L490 HydrophobicContact CE2-CD1 4.35Å; F485-L490 HydrophobicContact CZ-CD1 3.67Å; F485-L493 HydrophobicContact CD2-CD1 4.14Å; F485-L493 HydrophobicContact CE2-CD1 3.76Å
486	D	75	Confident	63.4	Low	77 Å²	77	84.2 Å²	84.2	41%	0.412	43%	0.426	S	S	.	.			trans	-82.5	176.5	173.5	75.7	11.8	0	0	0	112.7	K488 Q489 L490	D486-K488 VanDerWaalsContact C-N 3.28Å; D486-K488 PolarHBondContact O-N 3.34Å; D486-K488 WeakPolarHBondContact OD1-CA 3.36Å; D486-K488 VanDerWaalsContact OD1-CB 3.32Å; D486-K488 WeakPolarHBondContact OD1-CB 3.43Å; D486-K488 PolarHBondContact OD1-N 2.95Å; D486-Q489 PolarHBondContact O-N 2.95Å; D486-Q489 WeakPolarHBondContact OD1-CB 3.47Å; D486-Q489 WeakPolarHBondContact OD1-CG 3.24Å; D486-Q489 PolarHBondContact OD1-N 3.09Å; D486-Q489 PolarHBondContact OD1-OE1 3.02Å; D486-L490 WeakPolarHBondContact O-CB 3.35Å; D486-L490 PolarHBondContact O-N 2.98Å
487	D	65.6	Low	62.2	Low	114 Å²	114	85.2 Å²	85.2	61%	0.61	43%	0.43	S	S	*	.	H	α-helix	trans	-67.2	-26.1	-178.5	-64.5	-24.3	0	0	0	113.2	R246 T491	R246-D487 IonicContact NH2-OD1 2.71Å; D487-T491 VanDerWaalsContact O-CB 3.3Å; D487-T491 WeakPolarHBondContact O-CB 3.3Å; D487-T491 PolarHBondContact O-N 3.11Å; D487-T491 PolarHBondContact O-OG1 3.12Å
488	K	66	Low	60.9	Low	132 Å²	132	87.7 Å²	87.7	57%	0.574	44%	0.443	S	S	*	.	H	α-helix	trans	-70.1	-43.6	175	169.5	-160.5	174.5	-160.8	0	110.1	E482 D486 R492	E482-K488 IonicContact OE2-NZ 2.7Å; E482-K488 PolarHBondContact OE2-NZ 2.9Å; D486-K488 VanDerWaalsContact C-N 3.28Å; D486-K488 PolarHBondContact O-N 3.34Å; D486-K488 WeakPolarHBondContact OD1-CA 3.36Å; D486-K488 VanDerWaalsContact OD1-CB 3.32Å; D486-K488 WeakPolarHBondContact OD1-CB 3.43Å; D486-K488 PolarHBondContact OD1-N 2.95Å; K488-R492 PolarHBondContact O-N 3.29Å
489	Q	67.3	Low	59.3	Low	14 Å²	14	88.9 Å²	88.9	7%	0.065	47%	0.471	C	S	.	.	H	α-helix	trans	-67.1	-44	174.2	-71.8	159.2	-38.5	0	0	111	E482 P483 G484 D486 T491 R492 L493	E482-Q489 PolarHBondContact O-NE2 3.25Å; P483-Q489 PolarHBondContact O-NE2 3.36Å; G484-Q489 VanDerWaalsContact C-CD 3.47Å; G484-Q489 PolarHBondContact O-NE2 2.82Å; G484-Q489 PolarHBondContact O-OE1 3.36Å; D486-Q489 PolarHBondContact O-N 2.95Å; D486-Q489 WeakPolarHBondContact OD1-CB 3.47Å; D486-Q489 WeakPolarHBondContact OD1-CG 3.24Å; D486-Q489 PolarHBondContact OD1-N 3.09Å; D486-Q489 PolarHBondContact OD1-OE1 3.02Å; Q489-T491 PolarHBondContact O-N 2.75Å; Q489-R492 WeakPolarHBondContact O-CB 3.23Å; Q489-R492 PolarHBondContact O-N 2.65Å; Q489-L493 WeakPolarHBondContact O-CB 3.31Å; Q489-L493 WeakPolarHBondContact O-CD1 3.35Å; Q489-L493 WeakPolarHBondContact O-CG 3.22Å; Q489-L493 PolarHBondContact O-N 2.92Å
490	L	62.4	Low	57.8	Low	33 Å²	33	82 Å²	82	17%	0.173	47%	0.466	C	S	.	.	H	α-helix	trans	-60.4	-45.1	175.8	-177.5	63.7	0	0	0	111.8	F186 F485 D486 R492 L493 L494	F186-L490 HydrophobicContact CZ-CD1 4.29Å; F485-L490 HydrophobicContact CE1-CD1 4.22Å; F485-L490 HydrophobicContact CE2-CD1 4.35Å; F485-L490 HydrophobicContact CZ-CD1 3.67Å; D486-L490 WeakPolarHBondContact O-CB 3.35Å; D486-L490 PolarHBondContact O-N 2.98Å; L490-R492 VanDerWaalsContact C-N 3.29Å; L490-R492 PolarHBondContact O-N 2.79Å; L490-L493 PolarHBondContact O-N 2.82Å; L490-L493 VanDerWaalsContact O-N 3.09Å; L490-L494 HydrophobicContact CD1-CD1 3.75Å; L490-L494 HydrophobicContact CD1-CD2 4.38Å; L490-L494 HydrophobicContact CD1-CG 3.86Å; L490-L494 HydrophobicContact CD2-CD1 4.44Å; L490-L494 HydrophobicContact CG-CD1 3.79Å; L490-L494 HydrophobicContact CG-CG 4.24Å; L490-L494 WeakPolarHBondContact O-CB 3.39Å; L490-L494 WeakPolarHBondContact O-CG 3.31Å; L490-L494 PolarHBondContact O-N 2.57Å
491	T	57	Low	56	Low	85 Å²	85	82.2 Å²	82.2	52%	0.521	47%	0.472	S	S	.	.	H	α-helix	trans	-59.9	-39.3	176.9	-59.4	0	0	0	0	111.8	D487 Q489	D487-T491 VanDerWaalsContact O-CB 3.3Å; D487-T491 WeakPolarHBondContact O-CB 3.3Å; D487-T491 PolarHBondContact O-N 3.11Å; D487-T491 PolarHBondContact O-OG1 3.12Å; Q489-T491 PolarHBondContact O-N 2.75Å
492	R	72.6	Confident	53.9	Low	102 Å²	102	89.7 Å²	89.7	39%	0.385	50%	0.497	S	S	.	.	H	α-helix	trans	-65.2	-43	172.8	179.2	-175	64.1	88.3	-1.4	112.2	F173 I174 K488 Q489 L490	F173-R492 PolarHBondContact O-NH2 2.93Å; I174-R492 PolarHBondContact O-NH1 3.13Å; K488-R492 PolarHBondContact O-N 3.29Å; Q489-R492 WeakPolarHBondContact O-CB 3.23Å; Q489-R492 PolarHBondContact O-N 2.65Å; L490-R492 VanDerWaalsContact C-N 3.29Å; L490-R492 PolarHBondContact O-N 2.79Å
493	L	61.6	Low	51.4	Low	14 Å²	14	92 Å²	92	7%	0.073	51%	0.508	C	S	.	.	H	α-helix	trans	-73.4	-30.4	-175.2	-69.9	163.5	0	0	0	113.4	F173 I174 F186 F485 Q489 L490 G495	F173-L493 HydrophobicContact CB-CD1 3.66Å; F173-L493 HydrophobicContact CB-CD2 4.36Å; F173-L493 HydrophobicContact CG-CD1 4.45Å; I174-L493 VanDerWaalsContact C-CD2 3.43Å; I174-L493 WeakPolarHBondContact O-CD2 3.39Å; F186-L493 HydrophobicContact CD1-CB 4.16Å; F186-L493 HydrophobicContact CD1-CD1 3.97Å; F186-L493 HydrophobicContact CD1-CD2 4.23Å; F186-L493 HydrophobicContact CD1-CG 4.36Å; F186-L493 HydrophobicContact CE1-CB 3.82Å; F186-L493 HydrophobicContact CE1-CD1 4.07Å; F186-L493 HydrophobicContact CE1-CG 4.42Å; F485-L493 HydrophobicContact CD2-CD1 4.14Å; F485-L493 HydrophobicContact CE2-CD1 3.76Å; Q489-L493 WeakPolarHBondContact O-CB 3.31Å; Q489-L493 WeakPolarHBondContact O-CD1 3.35Å; Q489-L493 WeakPolarHBondContact O-CG 3.22Å; Q489-L493 PolarHBondContact O-N 2.92Å; L490-L493 PolarHBondContact O-N 2.82Å; L490-L493 VanDerWaalsContact O-N 3.09Å; L493-G495 VanDerWaalsContact C-N 3.32Å
494	L	54.7	Low	49.2	Very low	75 Å²	75	96.5 Å²	96.5	39%	0.393	53%	0.527	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-1.6	178	-65	179.7	0	0	0	113.9	L490 L496	L490-L494 HydrophobicContact CD1-CD1 3.75Å; L490-L494 HydrophobicContact CD1-CD2 4.38Å; L490-L494 HydrophobicContact CD1-CG 3.86Å; L490-L494 HydrophobicContact CD2-CD1 4.44Å; L490-L494 HydrophobicContact CG-CD1 3.79Å; L490-L494 HydrophobicContact CG-CG 4.24Å; L490-L494 WeakPolarHBondContact O-CB 3.39Å; L490-L494 WeakPolarHBondContact O-CG 3.31Å; L490-L494 PolarHBondContact O-N 2.57Å; L494-L496 PolarHBondContact O-N 2.91Å
495	G	47.3	Very low	46.8	Very low	55 Å²	55	103.6 Å²	103.6	57%	0.567	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	57.2	42.7	162.3	0	0	0	0	0	115.9	L493 E497	L493-G495 VanDerWaalsContact C-N 3.32Å; G495-E497 PolarHBondContact O-N 2.91Å
496	L	38	Very low	44.3	Very low	129 Å²	129	106.2 Å²	106.2	68%	0.675	60%	0.595	S	S	*	*			trans	-68.9	30.9	-176.7	-81.5	166.8	0	0	0	115.7	L494 L498	L494-L496 PolarHBondContact O-N 2.91Å; L496-L498 PolarHBondContact O-N 3.24Å
497	E	28	Very low	42.1	Very low	192 Å²	192	107 Å²	107	90%	0.897	61%	0.613	S	S	*	*			trans	-85.5	103.5	164.1	-70.5	-164.3	148.9	0	0	109.9	G495	G495-E497 PolarHBondContact O-N 2.91Å
498	L	25.9	Very low	40.4	Very low	174 Å²	174	108 Å²	108	91%	0.911	62%	0.618	S	S	*	*			trans	-76.8	118.8	-170.1	-79.4	146	0	0	0	114.2	L496	L496-L498 PolarHBondContact O-N 3.24Å
499	G	26.4	Very low	38.6	Very low	81 Å²	81	108.9 Å²	108.9	84%	0.835	63%	0.629	S	S	*	*			trans	163.4	123.9	156.3	0	0	0	0	0	113.8
500	G	26.1	Very low	37	Very low	67 Å²	67	113 Å²	113	69%	0.691	66%	0.659	S	S	*	*			cis	176.2	166.1	-6.5	0	0	0	0	0	112.4
501	T	25.7	Very low	35.4	Very low	140 Å²	140	114.6 Å²	114.6	86%	0.859	68%	0.684	S	S	*	*			trans	76.6	87.5	166.4	59.9	0	0	0	0	121.4
502	R	25.3	Very low	34.2	Very low	204 Å²	204	118.4 Å²	118.4	77%	0.77	70%	0.699	S	S	*	*				54.6	124.8	115.4	-72.5	-177.6	171.3	162.1	-1.4	122.5
503	E	22.9	Very low	32.3	Very low	170 Å²	170	119.2 Å²	119.2	79%	0.794	72%	0.72	S	S	*	*			trans	-68.5	173	156.6	-50.8	176.1	140.7	0	0	111.8
504	I	29.4	Very low	30.8	Very low	154 Å²	154	124.6 Å²	124.6	79%	0.79	75%	0.749	S	S	*	*				-168	153.6	77.1	-80	165.8	0	0	0	112
505	N	26.3	Very low	29.7	Very low	150 Å²	150	123.1 Å²	123.1	80%	0.802	75%	0.752	S	S	*	*			trans	-49.4	172.8	171.6	-50.4	-63.7	0	0	0	117
506	G	27.1	Very low	29	Very low	68 Å²	68	124.7 Å²	124.7	70%	0.701	76%	0.755	S	S	*	*			cis	162.7	174.4	-1.3	0	0	0	0	0	112.6
507	A	28.3	Very low	29.4	Very low	95 Å²	95	122.9 Å²	122.9	79%	0.785	75%	0.752	S	S	*	*			trans	63.1	151	165.1	0	0	0	0	0	119.7
508	N	30.2	Very low	30.3	Very low	134 Å²	134	122.7 Å²	122.7	72%	0.717	75%	0.749	S	S	*	*			cis	-155.9	143.6	-6.5	-99.1	-0.4	0	0	0	108.5
509	D	29	Very low	31.4	Very low	150 Å²	150	120.9 Å²	120.9	80%	0.802	74%	0.74	S	S	*	*				72.1	140.6	95.9	-147	24.2	0	0	0	114.3
510	S	32.6	Very low	33.2	Very low	101 Å²	101	119.5 Å²	119.5	71%	0.706	72%	0.715	S	S	*	*			cis	-164.1	165.6	22.7	59.1	0	0	0	0	115.9
511	G	29.1	Very low	35.3	Very low	66 Å²	66	118.5 Å²	118.5	68%	0.68	70%	0.696	S	S	*	*			trans	75.6	116.5	147.2	0	0	0	0	0	120.4
512	I	30.9	Very low	37.9	Very low	166 Å²	166	119.8 Å²	119.8	85%	0.851	69%	0.69	S	S	*	*			cis	92.6	137.1	49.6	-67.1	171.1	0	0	0	114.7
513	S	32.7	Very low	40.5	Very low	118 Å²	118	112.9 Å²	112.9	83%	0.825	68%	0.676	S	S	*	*			trans	81.8	146.3	-179	80.5	0	0	0	0	114.8
514	D	31	Very low	43.3	Very low	127 Å²	127	108.6 Å²	108.6	68%	0.679	65%	0.653	S	S	*	*			cis	-152.1	-179	-12.6	-178.1	43.8	0	0	0	110.6	R524	D514-R524 PolarHBondContact O-NH1 2.76Å
515	G	31.9	Very low	45.9	Very low	44 Å²	44	103.6 Å²	103.6	45%	0.454	63%	0.627	S	S	.	*			trans	-154.6	129	163.4	0	0	0	0	0	116.8
516	S	33.3	Very low	48.8	Very low	89 Å²	89	99.5 Å²	99.5	62%	0.622	60%	0.604	S	S	*	*			trans	-155	143.9	161.3	-177	0	0	0	0	112.7	T520	S516-T520 WeakPolarHBondContact O-CB 3.38Å; S516-T520 WeakPolarHBondContact O-CG2 3.34Å; S516-T520 PolarHBondContact O-OG1 2.9Å
517	S	44.5	Very low	51.5	Low	90 Å²	90	101.8 Å²	101.8	63%	0.629	60%	0.596	S	S	*	*	S	Bend	trans	62.9	123.7	174.5	-160.8	0	0	0	0	117.6	D519 T520	S517-D519 PolarHBondContact O-N 3.34Å; S517-T520 WeakPolarHBondContact O-CB 3.49Å; S517-T520 PolarHBondContact O-N 3.08Å; S517-T520 PolarHBondContact O-OG1 2.78Å
518	K	47.2	Very low	54.4	Low	188 Å²	188	98 Å²	98	82%	0.817	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-39.2	-30.9	-166	-72.6	174	174.3	174	0	118.7	T520 V521	K518-T520 PolarHBondContact O-N 3.17Å; K518-V521 PolarHBondContact O-N 3.45Å
519	D	49.8	Very low	57.1	Low	136 Å²	136	98.8 Å²	98.8	73%	0.727	56%	0.555	S	S	*	*	H	α-helix	trans	-61	-31.1	173.2	-63	-53.9	0	0	0	112.2	S517 K522 A523	S517-D519 PolarHBondContact O-N 3.34Å; D519-K522 PolarHBondContact O-N 3.49Å; D519-A523 PolarHBondContact O-N 3.33Å; D519-A523 VanDerWaalsContact O-N 3.11Å
520	T	64.9	Low	59.9	Low	52 Å²	52	98.3 Å²	98.3	32%	0.319	55%	0.545	S	S	.	.	H	α-helix	trans	-70.3	-31	175.9	59.9	0	0	0	0	113.7	S516 S517 K518 K522 A523 R524	S516-T520 WeakPolarHBondContact O-CB 3.38Å; S516-T520 WeakPolarHBondContact O-CG2 3.34Å; S516-T520 PolarHBondContact O-OG1 2.9Å; S517-T520 WeakPolarHBondContact O-CB 3.49Å; S517-T520 PolarHBondContact O-N 3.08Å; S517-T520 PolarHBondContact O-OG1 2.78Å; K518-T520 PolarHBondContact O-N 3.17Å; T520-K522 VanDerWaalsContact C-N 3.31Å; T520-K522 PolarHBondContact O-N 2.8Å; T520-A523 PolarHBondContact O-N 2.93Å; T520-R524 VanDerWaalsContact O-CB 3.32Å; T520-R524 WeakPolarHBondContact O-CB 3.45Å; T520-R524 VanDerWaalsContact O-CG 3.28Å; T520-R524 WeakPolarHBondContact O-CG 3.26Å; T520-R524 PolarHBondContact O-N 3.41Å
521	V	70.3	Confident	62.4	Low	47 Å²	47	99 Å²	99	29%	0.285	54%	0.541	S	S	.	.	H	α-helix	trans	-62.7	-43.6	176	175.5	0	0	0	0	109.9	K518 L525 L542 E566	K518-V521 PolarHBondContact O-N 3.45Å; V521-L525 HydrophobicContact CG1-CD1 4.17Å; V521-L525 WeakPolarHBondContact O-CB 3.24Å; V521-L525 WeakPolarHBondContact O-CG 3.43Å; V521-L525 PolarHBondContact O-N 2.79Å; V521-L542 HydrophobicContact CG1-CD2 4.07Å; V521-E566 WeakPolarHBondContact CG1-OE2 3.37Å
522	K	78.7	Confident	65	Low	167 Å²	167	97.8 Å²	97.8	73%	0.726	52%	0.519	S	S	*	.	H	α-helix	trans	-66.7	-40.2	176.3	-169.1	178	-179.9	-177.4	0	112	D519 T520 E526	D519-K522 PolarHBondContact O-N 3.49Å; T520-K522 VanDerWaalsContact C-N 3.31Å; T520-K522 PolarHBondContact O-N 2.8Å; K522-E526 PolarHBondContact O-N 3.32Å; K522-E526 VanDerWaalsContact O-N 3.1Å
523	A	79.5	Confident	67.7	Low	59 Å²	59	94.1 Å²	94.1	49%	0.488	51%	0.506	S	S	.	.	H	α-helix	trans	-64.2	-46.8	175.3	0	0	0	0	0	112.3	D519 T520 L525 E526 E527	D519-A523 PolarHBondContact O-N 3.33Å; D519-A523 VanDerWaalsContact O-N 3.11Å; T520-A523 PolarHBondContact O-N 2.93Å; A523-L525 VanDerWaalsContact C-N 3.35Å; A523-L525 PolarHBondContact O-N 3.42Å; A523-E526 WeakPolarHBondContact O-CB 3.4Å; A523-E526 PolarHBondContact O-N 2.89Å; A523-E526 VanDerWaalsContact O-N 3.17Å; A523-E527 PolarHBondContact O-N 2.93Å
524	R	82.3	Confident	70.3	Confident	79 Å²	79	89.6 Å²	89.6	30%	0.298	47%	0.471	S	S	.	.	H	α-helix	trans	-63.7	-36.5	177.1	-73.3	176.6	59.5	177.9	-7.8	112.5	D514 T520 E527 Q528 L542	D514-R524 PolarHBondContact O-NH1 2.76Å; T520-R524 VanDerWaalsContact O-CB 3.32Å; T520-R524 WeakPolarHBondContact O-CB 3.45Å; T520-R524 VanDerWaalsContact O-CG 3.28Å; T520-R524 WeakPolarHBondContact O-CG 3.26Å; T520-R524 PolarHBondContact O-N 3.41Å; R524-E527 PolarHBondContact O-N 2.99Å; R524-Q528 VanDerWaalsContact O-CB 3.3Å; R524-Q528 WeakPolarHBondContact O-CB 3.44Å; R524-Q528 PolarHBondContact O-N 3.32Å; R524-L542 HydrophobicContact CB-CD1 3.77Å; R524-L542 HydrophobicContact CB-CD2 4.2Å
525	L	85.2	Confident	73.1	Confident	50 Å²	50	85.1 Å²	85.1	26%	0.262	45%	0.446	S	S	.	.	H	α-helix	trans	-63.3	-42.4	172.1	-84.6	166.5	0	0	0	112.2	V521 A523 Q528 R529 G540 L542	V521-L525 HydrophobicContact CG1-CD1 4.17Å; V521-L525 WeakPolarHBondContact O-CB 3.24Å; V521-L525 WeakPolarHBondContact O-CG 3.43Å; V521-L525 PolarHBondContact O-N 2.79Å; A523-L525 VanDerWaalsContact C-N 3.35Å; A523-L525 PolarHBondContact O-N 3.42Å; L525-Q528 PolarHBondContact O-N 3.19Å; L525-R529 WeakPolarHBondContact O-CB 3.48Å; L525-R529 PolarHBondContact O-N 2.88Å; L525-G540 VanDerWaalsContact CD2-O 3.24Å; L525-G540 WeakPolarHBondContact CD2-O 3.42Å; L525-L542 HydrophobicContact CD2-CB 3.78Å; L525-L542 HydrophobicContact CD2-CD1 4.37Å; L525-L542 HydrophobicContact CG-CB 4Å; L525-L542 HydrophobicContact CG-CD1 4.26Å
526	E	85.7	Confident	75.7	Confident	64 Å²	64	92.2 Å²	92.2	30%	0.299	47%	0.465	S	S	.	.	H	α-helix	trans	-68.1	-35.5	177.4	179	58.5	-165.7	0	0	112.4	K522 A523 R529 K530	K522-E526 PolarHBondContact O-N 3.32Å; K522-E526 VanDerWaalsContact O-N 3.1Å; A523-E526 WeakPolarHBondContact O-CB 3.4Å; A523-E526 PolarHBondContact O-N 2.89Å; A523-E526 VanDerWaalsContact O-N 3.17Å; E526-R529 IonicContact OE1-CZ 3.79Å; E526-R529 IonicContact OE1-NE 3.85Å; E526-R529 IonicContact OE1-NH2 2.87Å; E526-R529 PolarHBondContact OE1-NH2 3.23Å; E526-R529 IonicContact OE2-CZ 3.09Å; E526-R529 IonicContact OE2-NE 2.83Å; E526-R529 PolarHBondContact OE2-NE 3.35Å; E526-R529 IonicContact OE2-NH2 2.75Å; E526-R529 PolarHBondContact OE2-NH2 3.27Å; E526-K530 WeakPolarHBondContact O-CG 3.39Å; E526-K530 PolarHBondContact O-N 3.24Å; E526-K530 WeakPolarHBondContact OE1-CE 3.35Å; E526-K530 IonicContact OE1-NZ 2.97Å; E526-K530 PolarHBondContact OE1-NZ 2.96Å
527	E	85.1	Confident	78.3	Confident	116 Å²	116	89.2 Å²	89.2	54%	0.542	44%	0.441	S	S	.	.	H	α-helix	trans	-68.2	-48	172.3	-175	176.8	-166.5	0	0	111.8	A523 R524 R529 K530 N531	A523-E527 PolarHBondContact O-N 2.93Å; R524-E527 PolarHBondContact O-N 2.99Å; E527-R529 PolarHBondContact O-N 2.96Å; E527-K530 PolarHBondContact O-N 3.42Å; E527-N531 WeakPolarHBondContact O-CB 3.26Å; E527-N531 PolarHBondContact O-N 3.38Å
528	Q	88.3	Confident	80.3	Confident	14 Å²	14	84.9 Å²	84.9	7%	0.065	41%	0.411	C	S	.	.	H	α-helix	trans	-55.7	-40.7	174.6	-177.2	-175.1	-58.4	0	0	111.2	R524 L525 K530 N532 H535 H541 I543	R524-Q528 VanDerWaalsContact O-CB 3.3Å; R524-Q528 WeakPolarHBondContact O-CB 3.44Å; R524-Q528 PolarHBondContact O-N 3.32Å; L525-Q528 PolarHBondContact O-N 3.19Å; Q528-K530 PolarHBondContact O-N 3.21Å; Q528-N532 HydrophobicContact CB-CB 4.45Å; Q528-N532 HydrophobicContact CG-CB 3.67Å; Q528-N532 VanDerWaalsContact O-CB 3.3Å; Q528-N532 WeakPolarHBondContact O-CB 3.5Å; Q528-N532 PolarHBondContact O-N 2.7Å; Q528-H535 HydrophobicContact CG-CB 4.12Å; Q528-H535 PolarHBondContact NE2-ND1 2.88Å; Q528-H541 PolarHBondContact NE2-O 3.29Å; Q528-I543 HydrophobicContact CG-CD1 4.31Å
529	R	88	Confident	82.1	Confident	152 Å²	152	81.8 Å²	81.8	57%	0.574	40%	0.399	S	S	*	.	H	α-helix	trans	-60.8	-30.8	177.6	-173.3	171.6	74.4	131.9	6.2	113.3	L525 E526 E527	L525-R529 WeakPolarHBondContact O-CB 3.48Å; L525-R529 PolarHBondContact O-N 2.88Å; E526-R529 IonicContact OE1-CZ 3.79Å; E526-R529 IonicContact OE1-NE 3.85Å; E526-R529 IonicContact OE1-NH2 2.87Å; E526-R529 PolarHBondContact OE1-NH2 3.23Å; E526-R529 IonicContact OE2-CZ 3.09Å; E526-R529 IonicContact OE2-NE 2.83Å; E526-R529 PolarHBondContact OE2-NE 3.35Å; E526-R529 IonicContact OE2-NH2 2.75Å; E526-R529 PolarHBondContact OE2-NH2 3.27Å; E527-R529 PolarHBondContact O-N 2.96Å
530	K	86.1	Confident	83.7	Confident	139 Å²	139	77.2 Å²	77.2	60%	0.604	38%	0.384	S	S	*	.	H	α-helix	trans	-87.2	-45.1	178.6	-70.2	167.7	-178.3	157.6	0	112.5	E526 E527 Q528	E526-K530 WeakPolarHBondContact O-CG 3.39Å; E526-K530 PolarHBondContact O-N 3.24Å; E526-K530 WeakPolarHBondContact OE1-CE 3.35Å; E526-K530 IonicContact OE1-NZ 2.97Å; E526-K530 PolarHBondContact OE1-NZ 2.96Å; E527-K530 PolarHBondContact O-N 3.42Å; Q528-K530 PolarHBondContact O-N 3.21Å
531	N	86.5	Confident	84.8	Confident	115 Å²	115	77.3 Å²	77.3	62%	0.615	38%	0.381	S	S	*	.	H	α-helix	trans	-107.4	-20.2	-161.4	-62.5	-14.5	0	0	0	113.9	E527	E527-N531 WeakPolarHBondContact O-CB 3.26Å; E527-N531 PolarHBondContact O-N 3.38Å
532	N	83.9	Confident	85.6	Confident	42 Å²	42	75.5 Å²	75.5	23%	0.225	37%	0.37	C	S	.	.			trans	-101.7	114.9	-174.8	-167	-45.4	0	0	0	111.6	Q528 Y534 H535	Q528-N532 HydrophobicContact CB-CB 4.45Å; Q528-N532 HydrophobicContact CG-CB 3.67Å; Q528-N532 VanDerWaalsContact O-CB 3.3Å; Q528-N532 WeakPolarHBondContact O-CB 3.5Å; Q528-N532 PolarHBondContact O-N 2.7Å; N532-Y534 PolarHBondContact O-N 3.21Å; N532-Y534 VanDerWaalsContact O-N 3.11Å; N532-Y534 WeakPolarHBondContact OD1-CB 3.19Å; N532-Y534 WeakPolarHBondContact OD1-CD2 3.37Å; N532-Y534 PolarHBondContact OD1-N 3.34Å; N532-H535 WeakPolarHBondContact O-CB 3.42Å; N532-H535 PolarHBondContact O-N 3.32Å; N532-H535 VanDerWaalsContact O-N 3.08Å
533	P	86.7	Confident	86.1	Confident	89 Å²	89	68.2 Å²	68.2	58%	0.578	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-18	-176.5	28.5	-35.8	0	0	0	113.2	M578	P533-M578 HydrophobicContact CB-CE 3.85Å; P533-M578 HydrophobicContact CG-CE 4.41Å; P533-M578 WeakPolarHBondContact O-CE 3.29Å
534	Y	88.2	Confident	86.5	Confident	22 Å²	22	68.3 Å²	68.3	9%	0.086	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-4	177.6	-57	-86.2	0	0	0	113.8	N532 K536 I537 V538 M561 L563 V573 M578	N532-Y534 PolarHBondContact O-N 3.21Å; N532-Y534 VanDerWaalsContact O-N 3.11Å; N532-Y534 WeakPolarHBondContact OD1-CB 3.19Å; N532-Y534 WeakPolarHBondContact OD1-CD2 3.37Å; N532-Y534 PolarHBondContact OD1-N 3.34Å; Y534-K536 PolarHBondContact O-N 3.29Å; Y534-K536 VanDerWaalsContact O-N 3.15Å; Y534-I537 HydrophobicContact CD1-CD1 4.05Å; Y534-I537 WeakPolarHBondContact O-CB 3.22Å; Y534-I537 PolarHBondContact O-N 2.94Å; Y534-V538 PolarHBondContact O-N 3.41Å; Y534-M561 HydrophobicContact CD1-CG 4.24Å; Y534-M561 HydrophobicContact CD2-CG 4.45Å; Y534-M561 HydrophobicContact CE1-CB 3.93Å; Y534-M561 HydrophobicContact CE1-CG 3.76Å; Y534-M561 HydrophobicContact CE2-CE 3.95Å; Y534-M561 HydrophobicContact CE2-CG 4Å; Y534-L563 HydrophobicContact CD1-CD1 4.08Å; Y534-L563 HydrophobicContact CD2-CD2 4.4Å; Y534-L563 HydrophobicContact CG-CD1 4.03Å; Y534-L563 HydrophobicContact CG-CD2 4.14Å; Y534-V573 HydrophobicContact CD1-CB 4.33Å; Y534-V573 HydrophobicContact CD1-CG1 4.1Å; Y534-V573 HydrophobicContact CD1-CG2 4.3Å; Y534-V573 HydrophobicContact CE1-CB 4.24Å; Y534-V573 HydrophobicContact CE1-CG1 3.93Å; Y534-M578 HydrophobicContact CD1-CE 3.6Å; Y534-M578 HydrophobicContact CD1-SD 4.11Å; Y534-M578 HydrophobicContact CD2-CE 4.45Å; Y534-M578 HydrophobicContact CE1-CE 3.62Å; Y534-M578 HydrophobicContact CE1-SD 3.49Å; Y534-M578 WeakPolarHBondContact CE1-SD 3.47Å; Y534-M578 HydrophobicContact CE2-CE 4.46Å; Y534-M578 HydrophobicContact CG-CE 4.03Å
535	H	89.3	Confident	86.9	Confident	33 Å²	33	66.4 Å²	66.4	15%	0.153	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-38.8	-177.9	177.3	85.5	0	0	0	113.2	Q528 N532 I537 V538	Q528-H535 HydrophobicContact CG-CB 4.12Å; Q528-H535 PolarHBondContact NE2-ND1 2.88Å; N532-H535 WeakPolarHBondContact O-CB 3.42Å; N532-H535 PolarHBondContact O-N 3.32Å; N532-H535 VanDerWaalsContact O-N 3.08Å; H535-I537 PolarHBondContact O-N 2.79Å; H535-V538 WeakPolarHBondContact O-CG2 3.49Å; H535-V538 PolarHBondContact O-N 3.05Å
536	K	87	Confident	87.2	Confident	194 Å²	194	67 Å²	67	84%	0.843	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-19	178.7	-65.5	-178.1	179.2	178.2	0	114	Y534	Y534-K536 PolarHBondContact O-N 3.29Å; Y534-K536 VanDerWaalsContact O-N 3.15Å
537	I	87.2	Confident	87.4	Confident	25 Å²	25	64.8 Å²	64.8	13%	0.128	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-28.4	-175	-60.4	169.2	0	0	0	111.5	Y534 H535 E539 V573 M578 L580	Y534-I537 HydrophobicContact CD1-CD1 4.05Å; Y534-I537 WeakPolarHBondContact O-CB 3.22Å; Y534-I537 PolarHBondContact O-N 2.94Å; H535-I537 PolarHBondContact O-N 2.79Å; I537-E539 VanDerWaalsContact C-N 3.25Å; I537-E539 PolarHBondContact O-N 3.23Å; I537-V573 HydrophobicContact CD1-CG1 3.82Å; I537-V573 HydrophobicContact CD1-CG2 4.21Å; I537-V573 HydrophobicContact CG2-CG2 3.81Å; I537-M578 HydrophobicContact CD1-CE 4.25Å; I537-M578 WeakPolarHBondContact CD1-O 3.37Å; I537-L580 HydrophobicContact CG2-CB 3.89Å; I537-L580 HydrophobicContact CG2-CD1 3.97Å; I537-L580 HydrophobicContact CG2-CD2 4.43Å; I537-L580 HydrophobicContact CG2-CG 4.31Å
538	V	86.3	Confident	87.8	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	17.7	-177.8	-61.8	0	0	0	0	113.7	Y534 H535 G540 H541 I543 L563 T565 Y571	Y534-V538 PolarHBondContact O-N 3.41Å; H535-V538 WeakPolarHBondContact O-CG2 3.49Å; H535-V538 PolarHBondContact O-N 3.05Å; V538-G540 PolarHBondContact O-N 3.25Å; V538-H541 VanDerWaalsContact CG2-O 3.31Å; V538-H541 WeakPolarHBondContact CG2-O 3.39Å; V538-H541 WeakPolarHBondContact O-CB 3.2Å; V538-H541 PolarHBondContact O-N 3.46Å; V538-H541 PolarHBondContact O-ND1 2.94Å; V538-I543 HydrophobicContact CG1-CD1 4.16Å; V538-I543 HydrophobicContact CG1-CG1 4.07Å; V538-I543 HydrophobicContact CG2-CD1 4.13Å; V538-I543 HydrophobicContact CG2-CG1 4.09Å; V538-L563 HydrophobicContact CG1-CB 4.04Å; V538-L563 HydrophobicContact CG1-CD1 3.55Å; V538-L563 HydrophobicContact CG1-CG 4.42Å; V538-T565 HydrophobicContact CB-CG2 4.03Å; V538-T565 HydrophobicContact CG1-CG2 4.03Å; V538-Y571 HydrophobicContact CB-CD2 4.19Å; V538-Y571 HydrophobicContact CB-CE2 3.96Å; V538-Y571 HydrophobicContact CG1-CD2 3.78Å; V538-Y571 HydrophobicContact CG1-CE2 4.09Å; V538-Y571 HydrophobicContact CG1-CG 4.2Å; V538-Y571 PolarHBondContact O-OH 3.23Å
539	E	85.1	Confident	87.9	Confident	122 Å²	122	63.9 Å²	63.9	57%	0.57	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.8	28	170.7	-63.7	161.5	165.2	0	0	114.6	I537 Y571	I537-E539 VanDerWaalsContact C-N 3.25Å; I537-E539 PolarHBondContact O-N 3.23Å; E539-Y571 PolarHBondContact OE2-OH 2.79Å
540	G	82.8	Confident	88	Confident	40 Å²	40	59.2 Å²	59.2	41%	0.412	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.3	0.3	-178.2	0	0	0	0	0	115.2	L525 V538	L525-G540 VanDerWaalsContact CD2-O 3.24Å; L525-G540 WeakPolarHBondContact CD2-O 3.42Å; V538-G540 PolarHBondContact O-N 3.25Å
541	H	87.6	Confident	88.2	Confident	55 Å²	55	53.3 Å²	53.3	26%	0.255	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-72.7	143.4	174.1	-58.8	113.4	0	0	0	112.3	Q528 V538 I543 T565 H569 Y571	Q528-H541 PolarHBondContact NE2-O 3.29Å; V538-H541 VanDerWaalsContact CG2-O 3.31Å; V538-H541 WeakPolarHBondContact CG2-O 3.39Å; V538-H541 WeakPolarHBondContact O-CB 3.2Å; V538-H541 PolarHBondContact O-N 3.46Å; V538-H541 PolarHBondContact O-ND1 2.94Å; H541-I543 PolarHBondContact O-N 3.49Å; H541-T565 HydrophobicContact CB-CG2 3.95Å; H541-H569 AromaticContact CE1-CD2 3.45Å; H541-H569 PolarHBondContact CE1-CD2 3.3Å; H541-H569 VanDerWaalsContact CE1-CD2 3.45Å; H541-H569 AromaticContact CE1-NE2 3.33Å; H541-H569 PolarHBondContact CE1-NE2 2.97Å; H541-H569 VanDerWaalsContact CE1-NE2 3.33Å; H541-H569 AromaticContact ND1-CD2 3.71Å; H541-H569 AromaticContact NE2-CD2 3.91Å; H541-H569 AromaticContact NE2-NE2 3.78Å; H541-Y571 PolarHBondContact ND1-OH 3.16Å
542	L	87.8	Confident	88	Confident	9 Å²	9	50.2 Å²	50.2	5%	0.047	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-72.1	126.6	175.6	179.5	60.8	0	0	0	109.8	V521 R524 L525 T565 E566	V521-L542 HydrophobicContact CG1-CD2 4.07Å; R524-L542 HydrophobicContact CB-CD1 3.77Å; R524-L542 HydrophobicContact CB-CD2 4.2Å; L525-L542 HydrophobicContact CD2-CB 3.78Å; L525-L542 HydrophobicContact CD2-CD1 4.37Å; L525-L542 HydrophobicContact CG-CB 4Å; L525-L542 HydrophobicContact CG-CD1 4.26Å; L542-T565 CarbonylContact O-C 3.43Å; L542-T565 WeakPolarHBondContact O-CA 3.37Å; L542-T565 VanDerWaalsContact O-CB 3.24Å; L542-T565 WeakPolarHBondContact O-CB 3.29Å; L542-E566 HydrophobicContact CB-CB 4.33Å; L542-E566 HydrophobicContact CB-CG 4.25Å; L542-E566 HydrophobicContact CD2-CG 4.26Å; L542-E566 PolarHBondContact O-N 3.12Å
543	I	89.7	Confident	87.5	Confident	14 Å²	14	56 Å²	56	7%	0.072	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	121.7	174.9	-62.1	163.2	0	0	0	108.2	Q528 V538 H541 L563 T565	Q528-I543 HydrophobicContact CG-CD1 4.31Å; V538-I543 HydrophobicContact CG1-CD1 4.16Å; V538-I543 HydrophobicContact CG1-CG1 4.07Å; V538-I543 HydrophobicContact CG2-CD1 4.13Å; V538-I543 HydrophobicContact CG2-CG1 4.09Å; H541-I543 PolarHBondContact O-N 3.49Å; I543-L563 HydrophobicContact CD1-CD2 4.28Å; I543-T565 HydrophobicContact CG1-CG2 4.07Å
544	I	87.7	Confident	86.6	Confident	60 Å²	60	55 Å²	55	31%	0.308	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	-48.7	174.4	-60.6	172.1	0	0	0	109.5	L564 E566 T624 V628	I544-L564 PolarHBondContact N-O 2.83Å; I544-E566 HydrophobicContact CD1-CB 4.41Å; I544-E566 HydrophobicContact CD1-CG 3.86Å; I544-E566 HydrophobicContact CG1-CG 3.81Å; I544-T624 HydrophobicContact CG2-CG2 3.69Å; I544-V628 HydrophobicContact CD1-CG1 4.49Å; I544-V628 HydrophobicContact CD1-CG2 3.28Å
545	K	90.5	Very high	85.3	Confident	39 Å²	39	60.6 Å²	60.6	17%	0.17	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	135	-176.6	-173.5	174.7	176.5	71.1	0	110.1	L564 D620 W621 T624	K545-L564 HydrophobicContact CB-CB 4.36Å; K545-L564 HydrophobicContact CB-CD2 4.4Å; K545-L564 PolarHBondContact N-O 2.82Å; K545-L564 PolarHBondContact O-N 3.13Å; K545-D620 WeakPolarHBondContact CE-OD2 3.07Å; K545-D620 IonicContact NZ-OD2 2.79Å; K545-D620 PolarHBondContact NZ-OD2 2.67Å; K545-W621 HydrophobicContact CB-CZ3 4.37Å; K545-W621 HydrophobicContact CD-CD2 3.83Å; K545-W621 HydrophobicContact CD-CE3 3.8Å; K545-W621 HydrophobicContact CD-CG 4.34Å; K545-W621 HydrophobicContact CD-CH2 4.39Å; K545-W621 HydrophobicContact CD-CZ2 4.42Å; K545-W621 HydrophobicContact CD-CZ3 4.09Å; K545-W621 HydrophobicContact CG-CD2 4.46Å; K545-W621 HydrophobicContact CG-CE3 4.24Å; K545-W621 HydrophobicContact CG-CH2 3.99Å; K545-W621 HydrophobicContact CG-CZ2 4.21Å; K545-W621 HydrophobicContact CG-CZ3 4Å; K545-T624 HydrophobicContact CB-CG2 4.21Å; K545-T624 HydrophobicContact CD-CG2 4.32Å
546	S	91.8	Very high	84.4	Confident	62 Å²	62	65.9 Å²	65.9	43%	0.434	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	145.9	174.4	55.3	0	0	0	0	111.3	F562	S546-F562 WeakPolarHBondContact CA-O 3.43Å
547	G	90.2	Very high	83.9	Confident	18 Å²	18	58.5 Å²	58.5	19%	0.186	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-176.3	164.3	175.4	0	0	0	0	0	113.2	F562	G547-F562 PolarHBondContact N-O 2.86Å; G547-F562 VanDerWaalsContact N-O 3.13Å; G547-F562 PolarHBondContact O-N 2.82Å
548	Y	92.4	Very high	83.9	Confident	111 Å²	111	64.6 Å²	64.6	44%	0.435	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	116.8	176.1	-67.4	-74.3	0	0	0	110.6	K559 R560 M561 P575	Y548-K559 HydrophobicContact CD1-CD 4.41Å; Y548-K559 HydrophobicContact CD1-CG 4.25Å; Y548-R560 WeakPolarHBondContact CA-O 3.27Å; Y548-M561 HydrophobicContact CD1-CE 4.09Å; Y548-M561 HydrophobicContact CD2-CE 4.16Å; Y548-M561 HydrophobicContact CE1-CE 3.65Å; Y548-M561 HydrophobicContact CE2-CE 3.73Å; Y548-M561 HydrophobicContact CG-CE 4.33Å; Y548-M561 VanDerWaalsContact CZ-CE 3.45Å; Y548-P575 HydrophobicContact CD1-CG 4.04Å; Y548-P575 HydrophobicContact CE1-CB 3.83Å; Y548-P575 HydrophobicContact CE1-CG 3.66Å
549	L	92.1	Very high	84.1	Confident	1 Å²	1	69.7 Å²	69.7	1%	0.005	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	146.8	173.1	-56.1	179.6	0	0	0	110.3	K559 R560 F562 F600 L611 E612 D613 W621	L549-K559 CarbonylContact O-C 3.56Å; L549-K559 WeakPolarHBondContact O-CA 3.4Å; L549-R560 PolarHBondContact N-O 2.96Å; L549-R560 PolarHBondContact O-N 2.78Å; L549-F562 HydrophobicContact CB-CD2 3.61Å; L549-F562 HydrophobicContact CB-CE2 3.85Å; L549-F562 HydrophobicContact CB-CG 4.41Å; L549-F562 HydrophobicContact CD1-CB 3.94Å; L549-F562 HydrophobicContact CD1-CD1 4.17Å; L549-F562 HydrophobicContact CD1-CD2 3.74Å; L549-F562 HydrophobicContact CD1-CE2 4.24Å; L549-F562 HydrophobicContact CD1-CG 3.68Å; L549-F562 HydrophobicContact CG-CB 4.31Å; L549-F562 HydrophobicContact CG-CD2 3.9Å; L549-F562 HydrophobicContact CG-CG 4.22Å; L549-F600 HydrophobicContact CD1-CE1 3.88Å; L549-F600 HydrophobicContact CD1-CZ 3.59Å; L549-F600 HydrophobicContact CD2-CE1 4.13Å; L549-L611 HydrophobicContact CD1-CB 4.36Å; L549-L611 HydrophobicContact CD1-CD1 4.14Å; L549-E612 CarbonylContact C-O 3.58Å; L549-E612 WeakPolarHBondContact CA-O 3.42Å; L549-D613 HydrophobicContact CD2-CB 3.42Å; L549-D613 VanDerWaalsContact CD2-CB 3.42Å; L549-W621 HydrophobicContact CD1-CD2 4.27Å; L549-W621 HydrophobicContact CD1-CH2 4.49Å; L549-W621 HydrophobicContact CD1-CZ2 4.12Å; L549-W621 HydrophobicContact CD2-CZ2 4.32Å; L549-W621 HydrophobicContact CG-CZ2 4.21Å
550	E	89.4	Confident	84.5	Confident	53 Å²	53	64.7 Å²	64.7	25%	0.248	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	119.4	163.2	-60.1	-149.7	163	0	0	110.1	A557 L611 E612 L614	E550-A557 HydrophobicContact CB-CB 4.39Å; E550-A557 VanDerWaalsContact OE2-CB 3.28Å; E550-A557 WeakPolarHBondContact OE2-CB 3.14Å; E550-L611 WeakPolarHBondContact O-CA 3.46Å; E550-E612 HydrophobicContact CB-CB 4.29Å; E550-E612 PolarHBondContact N-O 3.12Å; E550-E612 PolarHBondContact O-N 3.47Å; E550-L614 HydrophobicContact CG-CD1 4.2Å; E550-L614 HydrophobicContact CG-CG 4.39Å
551	K	90.5	Very high	85.1	Confident	16 Å²	16	63.5 Å²	63.5	7%	0.07	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	113.6	177.7	-173.3	-171.4	-170.8	-49.1	0	109.3	R558 R560 F562 Y572 L611	K551-R558 PolarHBondContact N-O 3.06Å; K551-R558 PolarHBondContact O-N 3.17Å; K551-R558 VanDerWaalsContact O-N 3.08Å; K551-R560 HydrophobicContact CB-CG 4.11Å; K551-F562 HydrophobicContact CB-CE2 4.03Å; K551-F562 HydrophobicContact CB-CZ 4.1Å; K551-F562 HydrophobicContact CD-CE2 4.49Å; K551-F562 HydrophobicContact CD-CZ 3.94Å; K551-F562 HydrophobicContact CG-CZ 4.07Å; K551-Y572 HydrophobicContact CD-CD1 4.41Å; K551-Y572 HydrophobicContact CD-CD2 3.89Å; K551-Y572 HydrophobicContact CD-CE1 4.44Å; K551-Y572 HydrophobicContact CD-CE2 3.95Å; K551-Y572 HydrophobicContact CD-CG 4.17Å; K551-L611 HydrophobicContact CB-CD2 4.09Å; K551-L611 HydrophobicContact CG-CD2 3.87Å
552	R	82.2	Confident	85.4	Confident	50 Å²	50	61 Å²	61	19%	0.189	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	145.5	177.3	-71.8	180	-175.8	-143.1	12.4	112.8	L464 F556 A557 Y610 E612	L464-R552 VanDerWaalsContact CD1-CZ 3.43Å; R552-F556 WeakPolarHBondContact CA-O 3.5Å; R552-A557 HydrophobicContact CG-CB 3.75Å; R552-Y610 PolarHBondContact N-O 3.22Å; R552-E612 IonicContact NH2-OE2 2.67Å; R552-E612 PolarHBondContact NH2-OE2 3.27Å
553	K	73.7	Confident	85.7	Confident	163 Å²	163	60.5 Å²	60.5	71%	0.709	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144.2	95.3	168.7	-173.1	-172.9	177.6	-172.8	0	108.4	F556	K553-F556 PolarHBondContact N-O 2.89Å
554	G	67.6	Low	85.8	Confident	68 Å²	68	59.9 Å²	59.9	70%	0.701	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	69	-141.9	-168	0	0	0	0	0	110.6	F556	G554-F556 PolarHBondContact O-N 3.33Å
555	L	60.4	Low	85.9	Confident	140 Å²	140	57 Å²	57	73%	0.733	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-15	-179.7	-62.3	174.7	0	0	0	114.3	G466	G466-L555 WeakPolarHBondContact O-CD2 3.43Å
556	F	70.1	Confident	85.5	Confident	144 Å²	144	57.2 Å²	57.2	63%	0.632	29%	0.288	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99	121.1	-175.7	-56.4	-74.9	0	0	0	111.9	R552 K553 G554	R552-F556 WeakPolarHBondContact CA-O 3.5Å; K553-F556 PolarHBondContact N-O 2.89Å; G554-F556 PolarHBondContact O-N 3.33Å
557	A	77.3	Confident	84.4	Confident	39 Å²	39	54.8 Å²	54.8	32%	0.322	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	147	160.2	0	0	0	0	0	110.1	E550 R552	E550-A557 HydrophobicContact CB-CB 4.39Å; E550-A557 VanDerWaalsContact OE2-CB 3.28Å; E550-A557 WeakPolarHBondContact OE2-CB 3.14Å; R552-A557 HydrophobicContact CG-CB 3.75Å
558	R	86.3	Confident	83.5	Confident	152 Å²	152	55.8 Å²	55.8	57%	0.574	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.7	125.5	170.8	-64.7	-173.4	178.9	164.2	-0.8	110	K551	K551-R558 PolarHBondContact N-O 3.06Å; K551-R558 PolarHBondContact O-N 3.17Å; K551-R558 VanDerWaalsContact O-N 3.08Å
559	K	91.7	Very high	83.1	Confident	108 Å²	108	52.6 Å²	52.6	47%	0.47	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	133.1	172.6	-169.4	173	-176.5	176.3	0	110.4	Y548 L549	Y548-K559 HydrophobicContact CD1-CD 4.41Å; Y548-K559 HydrophobicContact CD1-CG 4.25Å; L549-K559 CarbonylContact O-C 3.56Å; L549-K559 WeakPolarHBondContact O-CA 3.4Å
560	R	93.4	Very high	83.1	Confident	17 Å²	17	52.7 Å²	52.7	6%	0.064	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	146.3	178.9	-66.2	-67.3	176	-109	23.7	109.2	Y548 L549 K551 F562 Y572 V573 E574	Y548-R560 WeakPolarHBondContact CA-O 3.27Å; L549-R560 PolarHBondContact N-O 2.96Å; L549-R560 PolarHBondContact O-N 2.78Å; K551-R560 HydrophobicContact CB-CG 4.11Å; R560-F562 HydrophobicContact CB-CD2 3.91Å; R560-F562 HydrophobicContact CB-CE2 3.68Å; R560-F562 HydrophobicContact CG-CE2 4.4Å; R560-Y572 HydrophobicContact CG-CD2 4.34Å; R560-V573 WeakPolarHBondContact CA-O 3.16Å; R560-V573 WeakPolarHBondContact CD-O 3.4Å; R560-E574 IonicContact CZ-OE1 3.46Å; R560-E574 IonicContact CZ-OE2 3.08Å; R560-E574 IonicContact NH1-OE1 2.67Å; R560-E574 PolarHBondContact NH1-OE1 3.49Å; R560-E574 IonicContact NH1-OE2 3.05Å; R560-E574 PolarHBondContact NH1-OE2 3.47Å; R560-E574 IonicContact NH2-OE1 2.67Å; R560-E574 IonicContact NH2-OE2 3.07Å; R560-E574 PolarHBondContact NH2-OE2 3Å
561	M	94.6	Very high	83.3	Confident	15 Å²	15	50.1 Å²	50.1	7%	0.074	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	117	162.9	178.3	62.1	74.2	0	0	107.6	Y534 Y548 L563 Y572 V573 P575	Y534-M561 HydrophobicContact CD1-CG 4.24Å; Y534-M561 HydrophobicContact CD2-CG 4.45Å; Y534-M561 HydrophobicContact CE1-CB 3.93Å; Y534-M561 HydrophobicContact CE1-CG 3.76Å; Y534-M561 HydrophobicContact CE2-CE 3.95Å; Y534-M561 HydrophobicContact CE2-CG 4Å; Y548-M561 HydrophobicContact CD1-CE 4.09Å; Y548-M561 HydrophobicContact CD2-CE 4.16Å; Y548-M561 HydrophobicContact CE1-CE 3.65Å; Y548-M561 HydrophobicContact CE2-CE 3.73Å; Y548-M561 HydrophobicContact CG-CE 4.33Å; Y548-M561 VanDerWaalsContact CZ-CE 3.45Å; M561-L563 HydrophobicContact CG-CD2 3.69Å; M561-L563 HydrophobicContact CG-CG 4.22Å; M561-L563 HydrophobicContact SD-CD2 4.27Å; M561-Y572 CarbonylContact O-C 3.46Å; M561-Y572 WeakPolarHBondContact O-CA 3.39Å; M561-V573 HydrophobicContact CB-CB 4.36Å; M561-V573 PolarHBondContact N-O 3.41Å; M561-V573 PolarHBondContact O-N 2.89Å; M561-P575 HydrophobicContact CB-CG 4.35Å
562	F	95	Very high	83.4	Confident	1 Å²	1	50.6 Å²	50.6	0%	0.004	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	141.3	171.5	-85.4	-105.2	0	0	0	110.1	S546 G547 L549 K551 R560 I570 Y571 Y572 I584 L611 W621	S546-F562 WeakPolarHBondContact CA-O 3.43Å; G547-F562 PolarHBondContact N-O 2.86Å; G547-F562 VanDerWaalsContact N-O 3.13Å; G547-F562 PolarHBondContact O-N 2.82Å; L549-F562 HydrophobicContact CB-CD2 3.61Å; L549-F562 HydrophobicContact CB-CE2 3.85Å; L549-F562 HydrophobicContact CB-CG 4.41Å; L549-F562 HydrophobicContact CD1-CB 3.94Å; L549-F562 HydrophobicContact CD1-CD1 4.17Å; L549-F562 HydrophobicContact CD1-CD2 3.74Å; L549-F562 HydrophobicContact CD1-CE2 4.24Å; L549-F562 HydrophobicContact CD1-CG 3.68Å; L549-F562 HydrophobicContact CG-CB 4.31Å; L549-F562 HydrophobicContact CG-CD2 3.9Å; L549-F562 HydrophobicContact CG-CG 4.22Å; K551-F562 HydrophobicContact CB-CE2 4.03Å; K551-F562 HydrophobicContact CB-CZ 4.1Å; K551-F562 HydrophobicContact CD-CE2 4.49Å; K551-F562 HydrophobicContact CD-CZ 3.94Å; K551-F562 HydrophobicContact CG-CZ 4.07Å; R560-F562 HydrophobicContact CB-CD2 3.91Å; R560-F562 HydrophobicContact CB-CE2 3.68Å; R560-F562 HydrophobicContact CG-CE2 4.4Å; F562-I570 HydrophobicContact CD1-CG2 3.76Å; F562-I570 HydrophobicContact CE1-CG2 4.37Å; F562-Y571 WeakPolarHBondContact CA-O 3.3Å; F562-Y572 HydrophobicContact CE1-CD1 4.16Å; F562-Y572 HydrophobicContact CE1-CG 4.23Å; F562-Y572 HydrophobicContact CZ-CD1 4.31Å; F562-Y572 HydrophobicContact CZ-CG 4.08Å; F562-I584 HydrophobicContact CE1-CD1 4.09Å; F562-L611 HydrophobicContact CE1-CD1 4Å; F562-L611 HydrophobicContact CE1-CD2 3.91Å; F562-L611 HydrophobicContact CE2-CD2 3.96Å; F562-L611 HydrophobicContact CZ-CD1 4.25Å; F562-L611 HydrophobicContact CZ-CD2 3.33Å; F562-L611 HydrophobicContact CZ-CG 4.45Å; F562-W621 HydrophobicContact CB-CH2 3.77Å; F562-W621 HydrophobicContact CB-CZ2 4.41Å; F562-W621 HydrophobicContact CB-CZ3 4.26Å
563	L	93.3	Very high	84	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	103.6	-178.7	-48.4	167.8	0	0	0	107.8	Y534 V538 I543 M561 I570 Y571 V573	Y534-L563 HydrophobicContact CD1-CD1 4.08Å; Y534-L563 HydrophobicContact CD2-CD2 4.4Å; Y534-L563 HydrophobicContact CG-CD1 4.03Å; Y534-L563 HydrophobicContact CG-CD2 4.14Å; V538-L563 HydrophobicContact CG1-CB 4.04Å; V538-L563 HydrophobicContact CG1-CD1 3.55Å; V538-L563 HydrophobicContact CG1-CG 4.42Å; I543-L563 HydrophobicContact CD1-CD2 4.28Å; M561-L563 HydrophobicContact CG-CD2 3.69Å; M561-L563 HydrophobicContact CG-CG 4.22Å; M561-L563 HydrophobicContact SD-CD2 4.27Å; L563-I570 WeakPolarHBondContact O-CA 3.25Å; L563-Y571 PolarHBondContact N-O 2.86Å; L563-Y571 PolarHBondContact O-N 3.14Å; L563-V573 HydrophobicContact CD1-CG2 3.88Å
564	L	92.3	Very high	84.8	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	128.5	170.6	171	65.8	0	0	0	108.4	I544 K545 I570 W586 W621 T624 I625 V628	I544-L564 PolarHBondContact N-O 2.83Å; K545-L564 HydrophobicContact CB-CB 4.36Å; K545-L564 HydrophobicContact CB-CD2 4.4Å; K545-L564 PolarHBondContact N-O 2.82Å; K545-L564 PolarHBondContact O-N 3.13Å; L564-I570 HydrophobicContact CD1-CD1 4.46Å; L564-I570 HydrophobicContact CD1-CG1 3.92Å; L564-W586 HydrophobicContact CD1-CH2 3.81Å; L564-W586 HydrophobicContact CD1-CZ3 3.6Å; L564-W621 HydrophobicContact CB-CZ3 4.25Å; L564-T624 HydrophobicContact CD2-CG2 3.52Å; L564-I625 HydrophobicContact CD1-CG1 4.4Å; L564-I625 HydrophobicContact CD2-CG1 3.98Å; L564-V628 HydrophobicContact CD2-CG2 4.36Å
565	T	90.2	Very high	85.6	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	165.5	-174.8	56.7	0	0	0	0	113.8	V538 H541 L542 I543 G567 H569 Y571	V538-T565 HydrophobicContact CB-CG2 4.03Å; V538-T565 HydrophobicContact CG1-CG2 4.03Å; H541-T565 HydrophobicContact CB-CG2 3.95Å; L542-T565 CarbonylContact O-C 3.43Å; L542-T565 WeakPolarHBondContact O-CA 3.37Å; L542-T565 VanDerWaalsContact O-CB 3.24Å; L542-T565 WeakPolarHBondContact O-CB 3.29Å; I543-T565 HydrophobicContact CG1-CG2 4.07Å; T565-G567 CarbonylContact C-O 3.3Å; T565-G567 VanDerWaalsContact C-O 3.3Å; T565-G567 VanDerWaalsContact O-O 3.04Å; T565-G567 PolarHBondContact OG1-O 3.14Å; T565-H569 PolarHBondContact N-O 2.68Å; T565-H569 PolarHBondContact OG1-O 3.49Å; T565-Y571 HydrophobicContact CG2-CD2 4.07Å; T565-Y571 HydrophobicContact CG2-CE2 3.97Å
566	E	80.9	Confident	86.7	Confident	44 Å²	44	39.4 Å²	39.4	21%	0.206	20%	0.201	C	C	.	.	S	Bend	trans	-64.6	-46.4	172.6	-82.8	-148.9	110.9	0	0	112.1	V521 L542 I544 K631 Y632	V521-E566 WeakPolarHBondContact CG1-OE2 3.37Å; L542-E566 HydrophobicContact CB-CB 4.33Å; L542-E566 HydrophobicContact CB-CG 4.25Å; L542-E566 HydrophobicContact CD2-CG 4.26Å; L542-E566 PolarHBondContact O-N 3.12Å; I544-E566 HydrophobicContact CD1-CB 4.41Å; I544-E566 HydrophobicContact CD1-CG 3.86Å; I544-E566 HydrophobicContact CG1-CG 3.81Å; E566-K631 IonicContact OE1-NZ 2.65Å; E566-K631 PolarHBondContact OE1-NZ 3.07Å; E566-Y632 WeakPolarHBondContact O-CE2 3.35Å; E566-Y632 VanDerWaalsContact O-CZ 3.26Å; E566-Y632 PolarHBondContact O-OH 3.36Å
567	G	68.6	Low	87.7	Confident	10 Å²	10	35.5 Å²	35.5	10%	0.103	19%	0.191	C	C	.	.	S	Bend	trans	-61.1	139.1	163.1	0	0	0	0	0	108.7	T565 H569	T565-G567 CarbonylContact C-O 3.3Å; T565-G567 VanDerWaalsContact C-O 3.3Å; T565-G567 VanDerWaalsContact O-O 3.04Å; T565-G567 PolarHBondContact OG1-O 3.14Å; G567-H569 PolarHBondContact O-N 3.11Å
568	P	70.8	Confident	88.2	Confident	39 Å²	39	37 Å²	37	25%	0.253	19%	0.192	S	C	.	.	S	Bend	trans	-70.8	74.7	-167.4	28.7	-36.2	0	0	0	112.6	W586 Y632	P568-W586 HydrophobicContact CB-CB 4.04Å; P568-W586 HydrophobicContact CB-CD2 3.82Å; P568-W586 HydrophobicContact CB-CG 3.55Å; P568-W586 WeakPolarHBondContact O-CB 3.39Å; P568-Y632 HydrophobicContact CB-CD2 4.22Å; P568-Y632 HydrophobicContact CB-CG 4.45Å
569	H	84.4	Confident	88.3	Confident	45 Å²	45	34.1 Å²	34.1	21%	0.208	19%	0.185	C	C	.	.			trans	-140.3	139.2	-177.2	-58.2	-90.7	0	0	0	109.8	H541 T565 G567 Y571 Q583	H541-H569 AromaticContact CE1-CD2 3.45Å; H541-H569 PolarHBondContact CE1-CD2 3.3Å; H541-H569 VanDerWaalsContact CE1-CD2 3.45Å; H541-H569 AromaticContact CE1-NE2 3.33Å; H541-H569 PolarHBondContact CE1-NE2 2.97Å; H541-H569 VanDerWaalsContact CE1-NE2 3.33Å; H541-H569 AromaticContact ND1-CD2 3.71Å; H541-H569 AromaticContact NE2-CD2 3.91Å; H541-H569 AromaticContact NE2-NE2 3.78Å; T565-H569 PolarHBondContact N-O 2.68Å; T565-H569 PolarHBondContact OG1-O 3.49Å; G567-H569 PolarHBondContact O-N 3.11Å; H569-Y571 HydrophobicContact CB-CD2 3.82Å; H569-Y571 HydrophobicContact CB-CE2 3.28Å; H569-Y571 AromaticContact CG-CE2 3.91Å; H569-Y571 AromaticContact CG-CZ 3.91Å; H569-Q583 PolarHBondContact ND1-OE1 3.26Å
570	I	92.1	Very high	88.3	Confident	2 Å²	2	32 Å²	32	1%	0.01	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	97.3	164.5	-45.4	179.1	0	0	0	107.1	F562 L563 L564 Q583 I584 W586 I625	F562-I570 HydrophobicContact CD1-CG2 3.76Å; F562-I570 HydrophobicContact CE1-CG2 4.37Å; L563-I570 WeakPolarHBondContact O-CA 3.25Å; L564-I570 HydrophobicContact CD1-CD1 4.46Å; L564-I570 HydrophobicContact CD1-CG1 3.92Å; I570-Q583 CarbonylContact O-C 3.52Å; I570-Q583 WeakPolarHBondContact O-CA 3.49Å; I570-I584 HydrophobicContact CB-CB 4Å; I570-I584 HydrophobicContact CB-CD1 4.4Å; I570-I584 HydrophobicContact CB-CG1 4.08Å; I570-I584 HydrophobicContact CD1-CB 4.22Å; I570-I584 HydrophobicContact CD1-CD1 4.15Å; I570-I584 HydrophobicContact CG1-CB 4.39Å; I570-I584 HydrophobicContact CG2-CD1 4.32Å; I570-I584 HydrophobicContact CG2-CG1 4.35Å; I570-I584 PolarHBondContact O-N 2.89Å; I570-W586 HydrophobicContact CD1-CE3 4.22Å; I570-W586 HydrophobicContact CD1-CZ3 3.73Å; I570-W586 HydrophobicContact CG1-CE3 3.84Å; I570-W586 HydrophobicContact CG1-CZ3 3.48Å; I570-W586 VanDerWaalsContact CG1-CZ3 3.48Å; I570-I625 HydrophobicContact CD1-CD1 4.02Å; I570-I625 HydrophobicContact CD1-CG1 4.08Å; I570-I625 HydrophobicContact CD1-CG2 4.35Å
571	Y	93.6	Very high	88.3	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	145.5	176.3	-56.8	-99.3	0	0	0	109.7	V538 E539 H541 F562 L563 T565 H569 L580 Q583	V538-Y571 HydrophobicContact CB-CD2 4.19Å; V538-Y571 HydrophobicContact CB-CE2 3.96Å; V538-Y571 HydrophobicContact CG1-CD2 3.78Å; V538-Y571 HydrophobicContact CG1-CE2 4.09Å; V538-Y571 HydrophobicContact CG1-CG 4.2Å; V538-Y571 PolarHBondContact O-OH 3.23Å; E539-Y571 PolarHBondContact OE2-OH 2.79Å; H541-Y571 PolarHBondContact ND1-OH 3.16Å; F562-Y571 WeakPolarHBondContact CA-O 3.3Å; L563-Y571 PolarHBondContact N-O 2.86Å; L563-Y571 PolarHBondContact O-N 3.14Å; T565-Y571 HydrophobicContact CG2-CD2 4.07Å; T565-Y571 HydrophobicContact CG2-CE2 3.97Å; H569-Y571 HydrophobicContact CB-CD2 3.82Å; H569-Y571 HydrophobicContact CB-CE2 3.28Å; H569-Y571 AromaticContact CG-CE2 3.91Å; H569-Y571 AromaticContact CG-CZ 3.91Å; Y571-L580 HydrophobicContact CD1-CD1 3.85Å; Y571-L580 HydrophobicContact CD1-CD2 4.17Å; Y571-L580 HydrophobicContact CG-CD1 4.42Å; Y571-Q583 HydrophobicContact CD1-CG 3.71Å; Y571-Q583 HydrophobicContact CE1-CG 4.1Å; Y571-Q583 HydrophobicContact CG-CG 4.28Å
572	Y	93.8	Very high	88.2	Confident	25 Å²	25	35 Å²	35	10%	0.098	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	126.3	168.5	63.1	-95.4	0	0	0	112	K551 R560 M561 F562 K581 G582 Y609	K551-Y572 HydrophobicContact CD-CD1 4.41Å; K551-Y572 HydrophobicContact CD-CD2 3.89Å; K551-Y572 HydrophobicContact CD-CE1 4.44Å; K551-Y572 HydrophobicContact CD-CE2 3.95Å; K551-Y572 HydrophobicContact CD-CG 4.17Å; R560-Y572 HydrophobicContact CG-CD2 4.34Å; M561-Y572 CarbonylContact O-C 3.46Å; M561-Y572 WeakPolarHBondContact O-CA 3.39Å; F562-Y572 HydrophobicContact CE1-CD1 4.16Å; F562-Y572 HydrophobicContact CE1-CG 4.23Å; F562-Y572 HydrophobicContact CZ-CD1 4.31Å; F562-Y572 HydrophobicContact CZ-CG 4.08Å; Y572-K581 HydrophobicContact CD2-CB 3.81Å; Y572-K581 HydrophobicContact CE2-CB 3.61Å; Y572-K581 WeakPolarHBondContact CE2-O 3.36Å; Y572-K581 VanDerWaalsContact CZ-O 3.27Å; Y572-K581 PolarHBondContact O-N 2.8Å; Y572-K581 PolarHBondContact OH-O 3.14Å; Y572-G582 WeakPolarHBondContact CD1-O 3.49Å; Y572-G582 VanDerWaalsContact CE1-C 3.4Å; Y572-G582 PolarHBondContact N-O 3.22Å; Y572-Y609 HydrophobicContact CE1-CE1 4.19Å
573	V	93.2	Very high	88.1	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	144.9	-166.7	-175.6	0	0	0	0	110.2	Y534 I537 R560 M561 L563 P575 E579 L580	Y534-V573 HydrophobicContact CD1-CB 4.33Å; Y534-V573 HydrophobicContact CD1-CG1 4.1Å; Y534-V573 HydrophobicContact CD1-CG2 4.3Å; Y534-V573 HydrophobicContact CE1-CB 4.24Å; Y534-V573 HydrophobicContact CE1-CG1 3.93Å; I537-V573 HydrophobicContact CD1-CG1 3.82Å; I537-V573 HydrophobicContact CD1-CG2 4.21Å; I537-V573 HydrophobicContact CG2-CG2 3.81Å; R560-V573 WeakPolarHBondContact CA-O 3.16Å; R560-V573 WeakPolarHBondContact CD-O 3.4Å; M561-V573 HydrophobicContact CB-CB 4.36Å; M561-V573 PolarHBondContact N-O 3.41Å; M561-V573 PolarHBondContact O-N 2.89Å; L563-V573 HydrophobicContact CD1-CG2 3.88Å; V573-P575 WeakPolarHBondContact O-CD 3.42Å; V573-E579 WeakPolarHBondContact CA-O 3.24Å; V573-E579 WeakPolarHBondContact CG1-O 3.35Å; V573-L580 HydrophobicContact CG2-CD1 4.37Å
574	E	91.4	Very high	87.9	Confident	40 Å²	40	37.9 Å²	37.9	19%	0.187	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	113.2	167.4	-173.7	75.7	-95.9	0	0	109.4	R560 S576 S577 M578 E579 K581	R560-E574 IonicContact CZ-OE1 3.46Å; R560-E574 IonicContact CZ-OE2 3.08Å; R560-E574 IonicContact NH1-OE1 2.67Å; R560-E574 PolarHBondContact NH1-OE1 3.49Å; R560-E574 IonicContact NH1-OE2 3.05Å; R560-E574 PolarHBondContact NH1-OE2 3.47Å; R560-E574 IonicContact NH2-OE1 2.67Å; R560-E574 IonicContact NH2-OE2 3.07Å; R560-E574 PolarHBondContact NH2-OE2 3Å; E574-S576 VanDerWaalsContact C-N 3.3Å; E574-S576 PolarHBondContact O-N 3.43Å; E574-S577 WeakPolarHBondContact CG-OG 3.36Å; E574-S577 PolarHBondContact O-N 3.01Å; E574-M578 WeakPolarHBondContact O-CA 3.23Å; E574-M578 PolarHBondContact O-N 3Å; E574-E579 HydrophobicContact CB-CB 4.5Å; E574-E579 PolarHBondContact N-O 3.4Å; E574-K581 HydrophobicContact CB-CD 4.29Å; E574-K581 VanDerWaalsContact CB-CE 3.45Å; E574-K581 HydrophobicContact CB-CG 3.85Å
575	P	84.5	Confident	87.6	Confident	36 Å²	36	41 Å²	41	23%	0.234	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-30	-170.8	-23.8	35.4	0	0	0	114.5	Y548 M561 V573	Y548-P575 HydrophobicContact CD1-CG 4.04Å; Y548-P575 HydrophobicContact CE1-CB 3.83Å; Y548-P575 HydrophobicContact CE1-CG 3.66Å; M561-P575 HydrophobicContact CB-CG 4.35Å; V573-P575 WeakPolarHBondContact O-CD 3.42Å
576	S	83.7	Confident	87.4	Confident	111 Å²	111	42.7 Å²	42.7	78%	0.776	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-30.4	-177.4	50.8	0	0	0	0	113.7	E574	E574-S576 VanDerWaalsContact C-N 3.3Å; E574-S576 PolarHBondContact O-N 3.43Å
577	S	89.6	Confident	87.5	Confident	62 Å²	62	42.2 Å²	42.2	43%	0.434	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.6	-3	178.9	63.6	0	0	0	0	114.2	E574 E579	E574-S577 WeakPolarHBondContact CG-OG 3.36Å; E574-S577 PolarHBondContact O-N 3.01Å; S577-E579 PolarHBondContact O-N 3.16Å; S577-E579 WeakPolarHBondContact OG-CB 3.34Å; S577-E579 PolarHBondContact OG-OE2 2.82Å
578	M	87.9	Confident	88.3	Confident	70 Å²	70	48.6 Å²	48.6	35%	0.345	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.8	31	-173.1	-65.8	-68.4	-68.3	0	0	113	P533 Y534 I537 E574	P533-M578 HydrophobicContact CB-CE 3.85Å; P533-M578 HydrophobicContact CG-CE 4.41Å; P533-M578 WeakPolarHBondContact O-CE 3.29Å; Y534-M578 HydrophobicContact CD1-CE 3.6Å; Y534-M578 HydrophobicContact CD1-SD 4.11Å; Y534-M578 HydrophobicContact CD2-CE 4.45Å; Y534-M578 HydrophobicContact CE1-CE 3.62Å; Y534-M578 HydrophobicContact CE1-SD 3.49Å; Y534-M578 WeakPolarHBondContact CE1-SD 3.47Å; Y534-M578 HydrophobicContact CE2-CE 4.46Å; Y534-M578 HydrophobicContact CG-CE 4.03Å; I537-M578 HydrophobicContact CD1-CE 4.25Å; I537-M578 WeakPolarHBondContact CD1-O 3.37Å; E574-M578 WeakPolarHBondContact O-CA 3.23Å; E574-M578 PolarHBondContact O-N 3Å
579	E	89.1	Confident	89.1	Confident	91 Å²	91	52.2 Å²	52.2	43%	0.425	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	130.1	-172	-170.8	-159.7	137.2	0	0	111.2	V573 E574 S577 K581	V573-E579 WeakPolarHBondContact CA-O 3.24Å; V573-E579 WeakPolarHBondContact CG1-O 3.35Å; E574-E579 HydrophobicContact CB-CB 4.5Å; E574-E579 PolarHBondContact N-O 3.4Å; S577-E579 PolarHBondContact O-N 3.16Å; S577-E579 WeakPolarHBondContact OG-CB 3.34Å; S577-E579 PolarHBondContact OG-OE2 2.82Å; E579-K581 PolarHBondContact O-N 2.76Å; E579-K581 VanDerWaalsContact O-N 3.16Å; E579-K581 WeakPolarHBondContact OE1-CE 3.42Å; E579-K581 IonicContact OE1-NZ 2.66Å; E579-K581 PolarHBondContact OE1-NZ 2.85Å; E579-K581 WeakPolarHBondContact OE2-CE 3.34Å; E579-K581 IonicContact OE2-NZ 2.65Å; E579-K581 PolarHBondContact OE2-NZ 2.85Å
580	L	92.8	Very high	89.3	Confident	63 Å²	63	50.3 Å²	50.3	33%	0.33	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	112.6	174.9	-178.1	58.9	0	0	0	110.4	I537 Y571 V573 G582	I537-L580 HydrophobicContact CG2-CB 3.89Å; I537-L580 HydrophobicContact CG2-CD1 3.97Å; I537-L580 HydrophobicContact CG2-CD2 4.43Å; I537-L580 HydrophobicContact CG2-CG 4.31Å; Y571-L580 HydrophobicContact CD1-CD1 3.85Å; Y571-L580 HydrophobicContact CD1-CD2 4.17Å; Y571-L580 HydrophobicContact CG-CD1 4.42Å; V573-L580 HydrophobicContact CG2-CD1 4.37Å; L580-G582 VanDerWaalsContact C-N 3.35Å; L580-G582 WeakPolarHBondContact CD1-O 3.46Å
581	K	92.8	Very high	89.3	Confident	73 Å²	73	55.9 Å²	55.9	32%	0.317	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	0.8	177.6	-62.2	-63	-179.1	-176.3	0	113.1	Y572 E574 E579	Y572-K581 HydrophobicContact CD2-CB 3.81Å; Y572-K581 HydrophobicContact CE2-CB 3.61Å; Y572-K581 WeakPolarHBondContact CE2-O 3.36Å; Y572-K581 VanDerWaalsContact CZ-O 3.27Å; Y572-K581 PolarHBondContact O-N 2.8Å; Y572-K581 PolarHBondContact OH-O 3.14Å; E574-K581 HydrophobicContact CB-CD 4.29Å; E574-K581 VanDerWaalsContact CB-CE 3.45Å; E574-K581 HydrophobicContact CB-CG 3.85Å; E579-K581 PolarHBondContact O-N 2.76Å; E579-K581 VanDerWaalsContact O-N 3.16Å; E579-K581 WeakPolarHBondContact OE1-CE 3.42Å; E579-K581 IonicContact OE1-NZ 2.66Å; E579-K581 PolarHBondContact OE1-NZ 2.85Å; E579-K581 WeakPolarHBondContact OE2-CE 3.34Å; E579-K581 IonicContact OE2-NZ 2.65Å; E579-K581 PolarHBondContact OE2-NZ 2.85Å
582	G	91.9	Very high	89.3	Confident	22 Å²	22	56.7 Å²	56.7	23%	0.227	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	134	-171.5	172.7	0	0	0	0	0	113.3	Y572 L580	Y572-G582 WeakPolarHBondContact CD1-O 3.49Å; Y572-G582 VanDerWaalsContact CE1-C 3.4Å; Y572-G582 PolarHBondContact N-O 3.22Å; L580-G582 VanDerWaalsContact C-N 3.35Å; L580-G582 WeakPolarHBondContact CD1-O 3.46Å
583	Q	92.4	Very high	89.1	Confident	61 Å²	61	58.4 Å²	58.4	29%	0.285	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	159.4	179.6	-56.6	179.8	24.1	0	0	110.5	H569 I570 Y571 Y609	H569-Q583 PolarHBondContact ND1-OE1 3.26Å; I570-Q583 CarbonylContact O-C 3.52Å; I570-Q583 WeakPolarHBondContact O-CA 3.49Å; Y571-Q583 HydrophobicContact CD1-CG 3.71Å; Y571-Q583 HydrophobicContact CE1-CG 4.1Å; Y571-Q583 HydrophobicContact CG-CG 4.28Å; Q583-Y609 PolarHBondContact O-OH 3.05Å
584	I	90.6	Very high	88.7	Confident	1 Å²	1	60.2 Å²	60.2	1%	0.005	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	121.6	160.6	-52.7	-167.5	0	0	0	107.4	F562 I570 W586 L590 V602 T604 Y609 L611	F562-I584 HydrophobicContact CE1-CD1 4.09Å; I570-I584 HydrophobicContact CB-CB 4Å; I570-I584 HydrophobicContact CB-CD1 4.4Å; I570-I584 HydrophobicContact CB-CG1 4.08Å; I570-I584 HydrophobicContact CD1-CB 4.22Å; I570-I584 HydrophobicContact CD1-CD1 4.15Å; I570-I584 HydrophobicContact CG1-CB 4.39Å; I570-I584 HydrophobicContact CG2-CD1 4.32Å; I570-I584 HydrophobicContact CG2-CG1 4.35Å; I570-I584 PolarHBondContact O-N 2.89Å; I584-W586 PolarHBondContact O-N 3.18Å; I584-L590 HydrophobicContact CG2-CD1 4.2Å; I584-V602 HydrophobicContact CD1-CB 4.18Å; I584-V602 HydrophobicContact CD1-CG1 4.33Å; I584-V602 HydrophobicContact CD1-CG2 4.38Å; I584-V602 HydrophobicContact CG2-CG1 4.04Å; I584-T604 HydrophobicContact CG2-CG2 3.76Å; I584-Y609 HydrophobicContact CB-CE1 4.37Å; I584-Y609 HydrophobicContact CD1-CD1 3.75Å; I584-Y609 HydrophobicContact CD1-CD2 4.45Å; I584-Y609 HydrophobicContact CD1-CE1 4.3Å; I584-Y609 HydrophobicContact CD1-CG 3.83Å; I584-Y609 HydrophobicContact CG1-CD1 3.67Å; I584-Y609 HydrophobicContact CG1-CD2 4.5Å; I584-Y609 HydrophobicContact CG1-CE1 3.7Å; I584-Y609 HydrophobicContact CG1-CG 4.09Å; I584-Y609 HydrophobicContact CG2-CD2 3.96Å; I584-Y609 HydrophobicContact CG2-CE2 3.87Å; I584-Y609 HydrophobicContact CG2-CG 4.35Å; I584-L611 HydrophobicContact CD1-CD1 4.28Å
585	P	85	Confident	88.1	Confident	67 Å²	67	60.6 Å²	60.6	44%	0.435	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-61.5	122.3	177.9	-23.2	33	0	0	0	111.2	T604 Y609	P585-T604 WeakPolarHBondContact O-CG2 3.49Å; P585-Y609 VanDerWaalsContact CD-OH 3.23Å; P585-Y609 WeakPolarHBondContact CD-OH 3.35Å
586	W	85.1	Confident	87.6	Confident	34 Å²	34	59.5 Å²	59.5	13%	0.129	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-81.8	121.6	176.1	-153.6	-78.8	0	0	0	109.8	L564 P568 I570 I584 L590 I625 V628 H629 F633	L564-W586 HydrophobicContact CD1-CH2 3.81Å; L564-W586 HydrophobicContact CD1-CZ3 3.6Å; P568-W586 HydrophobicContact CB-CB 4.04Å; P568-W586 HydrophobicContact CB-CD2 3.82Å; P568-W586 HydrophobicContact CB-CG 3.55Å; P568-W586 WeakPolarHBondContact O-CB 3.39Å; I570-W586 HydrophobicContact CD1-CE3 4.22Å; I570-W586 HydrophobicContact CD1-CZ3 3.73Å; I570-W586 HydrophobicContact CG1-CE3 3.84Å; I570-W586 HydrophobicContact CG1-CZ3 3.48Å; I570-W586 VanDerWaalsContact CG1-CZ3 3.48Å; I584-W586 PolarHBondContact O-N 3.18Å; W586-L590 HydrophobicContact CD2-CD1 4.21Å; W586-L590 HydrophobicContact CE3-CD1 4.13Å; W586-L590 HydrophobicContact CG-CD1 4.47Å; W586-I625 HydrophobicContact CH2-CG2 4.07Å; W586-I625 HydrophobicContact CZ3-CG2 4.45Å; W586-V628 HydrophobicContact CH2-CB 3.87Å; W586-V628 HydrophobicContact CH2-CG1 3.66Å; W586-V628 HydrophobicContact CZ2-CB 4Å; W586-V628 HydrophobicContact CZ2-CG1 3.66Å; W586-H629 AromaticContact CE2-CD2 3.92Å; W586-H629 HydrophobicContact CZ2-CB 3.75Å; W586-H629 AromaticContact NE1-CD2 3.46Å; W586-H629 PolarHBondContact NE1-CD2 3.09Å; W586-F633 AromaticContact CD1-CE2 3.25Å; W586-F633 AromaticContact CD1-CZ 3.89Å; W586-F633 AromaticContact NE1-CD2 3.74Å; W586-F633 AromaticContact NE1-CE2 3.38Å
587	T	84.9	Confident	87.2	Confident	35 Å²	35	55.6 Å²	55.6	22%	0.215	28%	0.281	C	S	.	.			trans	-138.7	158	-170.6	46.7	0	0	0	0	109.1	E589 L590 P605 H629	T587-E589 PolarHBondContact O-N 2.94Å; T587-L590 VanDerWaalsContact O-CB 3.24Å; T587-L590 WeakPolarHBondContact O-CB 3.5Å; T587-L590 PolarHBondContact O-N 3Å; T587-L590 PolarHBondContact OG1-N 3.49Å; T587-P605 HydrophobicContact CG2-CG 4.47Å; T587-P605 WeakPolarHBondContact OG1-CD 3.42Å; T587-H629 PolarHBondContact O-NE2 3.03Å
588	K	85.3	Confident	86.7	Confident	144 Å²	144	53.8 Å²	53.8	63%	0.626	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-27.9	178.4	-176.8	178	179.6	-176.6	0	111.6	H629 F633	K588-H629 PolarHBondContact O-CE1 3.47Å; K588-H629 VanDerWaalsContact O-CE1 3.26Å; K588-H629 PolarHBondContact O-NE2 3.04Å; K588-F633 HydrophobicContact CB-CD1 3.62Å; K588-F633 HydrophobicContact CB-CE1 3.94Å; K588-F633 HydrophobicContact CG-CD1 3.9Å
589	E	86.4	Confident	86.3	Confident	115 Å²	115	50.5 Å²	50.5	54%	0.537	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	2.4	178.7	-51.9	68.7	-150	0	0	112.9	T587 R591 P605	T587-E589 PolarHBondContact O-N 2.94Å; E589-R591 PolarHBondContact O-N 2.91Å; E589-P605 HydrophobicContact CB-CG 3.91Å; E589-P605 HydrophobicContact CG-CG 4.2Å
590	L	90.1	Very high	86.3	Confident	5 Å²	5	46.1 Å²	46.1	3%	0.026	23%	0.229	C	C	.	.			trans	-62.9	120.9	175.3	-176.3	152.8	0	0	0	109.1	I584 W586 T587 V602 Y603 T604 I625 H629	I584-L590 HydrophobicContact CG2-CD1 4.2Å; W586-L590 HydrophobicContact CD2-CD1 4.21Å; W586-L590 HydrophobicContact CE3-CD1 4.13Å; W586-L590 HydrophobicContact CG-CD1 4.47Å; T587-L590 VanDerWaalsContact O-CB 3.24Å; T587-L590 WeakPolarHBondContact O-CB 3.5Å; T587-L590 PolarHBondContact O-N 3Å; T587-L590 PolarHBondContact OG1-N 3.49Å; L590-V602 HydrophobicContact CD1-CG1 4.07Å; L590-V602 HydrophobicContact CD2-CG1 4.02Å; L590-V602 HydrophobicContact CG-CG1 3.9Å; L590-Y603 WeakPolarHBondContact CA-O 3.3Å; L590-T604 HydrophobicContact CD1-CG2 4.24Å; L590-T604 HydrophobicContact CG-CG2 4.43Å; L590-I625 HydrophobicContact CD2-CG2 3.59Å; L590-H629 PolarHBondContact O-NE2 3.32Å
591	R	92	Very high	86.2	Confident	118 Å²	118	43.4 Å²	43.4	45%	0.445	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	126.6	173.5	62.4	-179.7	-165	83.9	0.1	110.7	E589 E593 Y603	E589-R591 PolarHBondContact O-N 2.91Å; R591-E593 IonicContact CZ-OE2 3.6Å; R591-E593 IonicContact NH1-OE2 2.71Å; R591-E593 PolarHBondContact NH1-OE2 3.37Å; R591-E593 IonicContact NH2-OE2 3.54Å; R591-Y603 HydrophobicContact CG-CD2 3.99Å; R591-Y603 HydrophobicContact CG-CG 4.23Å; R591-Y603 VanDerWaalsContact CZ-CD2 3.41Å; R591-Y603 PolarHBondContact N-O 3.49Å; R591-Y603 VanDerWaalsContact NH1-CE2 3.31Å; R591-Y603 VanDerWaalsContact NH2-CZ 3.28Å; R591-Y603 PolarHBondContact O-N 2.91Å
592	P	92.2	Very high	86.1	Confident	18 Å²	18	40 Å²	40	12%	0.117	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	153.9	163.7	34.1	-31.2	0	0	0	110.2	F601 C622 I625 E626	P592-F601 CarbonylContact C-O 3.2Å; P592-F601 WeakPolarHBondContact CA-O 3.45Å; P592-C622 HydrophobicContact CB-CB 3.85Å; P592-C622 HydrophobicContact CG-CB 4.22Å; P592-C622 VanDerWaalsContact CG-O 3.25Å; P592-C622 WeakPolarHBondContact CG-O 3.29Å; P592-I625 HydrophobicContact CB-CB 4.32Å; P592-I625 HydrophobicContact CB-CG2 4.15Å; P592-I625 HydrophobicContact CG-CB 4.16Å; P592-I625 HydrophobicContact CG-CG2 3.94Å; P592-E626 HydrophobicContact CG-CB 4.06Å
593	E	89.7	Confident	86.1	Confident	60 Å²	60	41 Å²	41	28%	0.28	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	114.5	175.1	-164.7	-173.5	151.4	0	0	109.5	R591 K595 F600 F601 Y603	R591-E593 IonicContact CZ-OE2 3.6Å; R591-E593 IonicContact NH1-OE2 2.71Å; R591-E593 PolarHBondContact NH1-OE2 3.37Å; R591-E593 IonicContact NH2-OE2 3.54Å; E593-K595 VanDerWaalsContact CD-NZ 3.28Å; E593-K595 PolarHBondContact O-N 3.06Å; E593-K595 WeakPolarHBondContact OE1-CE 3.34Å; E593-K595 IonicContact OE1-NZ 2.6Å; E593-K595 PolarHBondContact OE1-NZ 2.93Å; E593-K595 IonicContact OE2-NZ 3.58Å; E593-F600 CarbonylContact O-C 3.47Å; E593-F600 VanDerWaalsContact O-CA 3.29Å; E593-F600 WeakPolarHBondContact O-CA 3.31Å; E593-F600 WeakPolarHBondContact O-CB 2.94Å; E593-F601 PolarHBondContact N-O 3.23Å; E593-F601 PolarHBondContact O-N 3.02Å; E593-Y603 HydrophobicContact CB-CD2 4.45Å; E593-Y603 HydrophobicContact CB-CE2 3.77Å; E593-Y603 WeakPolarHBondContact OE2-CE2 3.39Å; E593-Y603 PolarHBondContact OE2-OH 3.44Å; E593-Y603 VanDerWaalsContact OE2-OH 3.1Å
594	A	85	Confident	85.9	Confident	38 Å²	38	38.9 Å²	38.9	31%	0.314	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	127.1	172	0	0	0	0	0	108.9	L619 C622	A594-L619 HydrophobicContact CB-CB 4.45Å; A594-L619 HydrophobicContact CB-CD1 3.96Å; A594-C622 PolarHBondContact N-SG 3.38Å
595	K	79.6	Confident	85.5	Confident	49 Å²	49	42.5 Å²	42.5	21%	0.213	21%	0.211	C	C	.	.	S	Bend	trans	-97.1	-39.7	175.5	-67.3	-55.2	-168	177.6	0	111	Y463 E593 I599 F601	Y463-K595 HydrophobicContact CD1-CB 3.67Å; Y463-K595 HydrophobicContact CD1-CD 3.95Å; Y463-K595 HydrophobicContact CD1-CG 4.11Å; Y463-K595 HydrophobicContact CD2-CB 4.16Å; Y463-K595 HydrophobicContact CE1-CB 4.13Å; Y463-K595 HydrophobicContact CE1-CD 4.45Å; Y463-K595 HydrophobicContact CG-CB 3.67Å; Y463-K595 HydrophobicContact CG-CG 4.31Å; Y463-K595 PolarHBondContact OH-O 3.36Å; E593-K595 VanDerWaalsContact CD-NZ 3.28Å; E593-K595 PolarHBondContact O-N 3.06Å; E593-K595 WeakPolarHBondContact OE1-CE 3.34Å; E593-K595 IonicContact OE1-NZ 2.6Å; E593-K595 PolarHBondContact OE1-NZ 2.93Å; E593-K595 IonicContact OE2-NZ 3.58Å; K595-I599 WeakPolarHBondContact CA-O 3.27Å; K595-I599 HydrophobicContact CB-CB 4.33Å; K595-I599 HydrophobicContact CB-CG2 4.1Å; K595-I599 WeakPolarHBondContact CB-O 3.16Å; K595-I599 PolarHBondContact N-O 2.98Å; K595-F601 HydrophobicContact CD-CD2 4.34Å; K595-F601 HydrophobicContact CD-CE2 4.24Å; K595-F601 VanDerWaalsContact CE-CD2 3.48Å; K595-F601 HydrophobicContact CG-CD1 4.32Å; K595-F601 HydrophobicContact CG-CD2 3.93Å; K595-F601 HydrophobicContact CG-CE1 4.13Å; K595-F601 HydrophobicContact CG-CE2 3.77Å; K595-F601 HydrophobicContact CG-CG 4.18Å; K595-F601 HydrophobicContact CG-CZ 3.84Å
596	N	72.7	Confident	85.4	Confident	12 Å²	12	47.1 Å²	47.1	6%	0.064	23%	0.232	C	C	.	.	S	Bend	trans	-150.1	-171.4	160.3	58.6	56.3	0	0	0	109.6	L266 S268 Y463 K598 I599 A618	L266-N596 PolarHBondContact O-ND2 3.12Å; S268-N596 PolarHBondContact N-ND2 2.97Å; S268-N596 WeakPolarHBondContact OG-CB 3.32Å; Y463-N596 WeakPolarHBondContact CD2-ND2 3.23Å; Y463-N596 HydrophobicContact CE2-CB 4.16Å; Y463-N596 WeakPolarHBondContact CE2-ND2 3.02Å; N596-K598 PolarHBondContact O-N 2.77Å; N596-K598 PolarHBondContact OD1-N 3.14Å; N596-I599 PolarHBondContact N-O 3.43Å; N596-I599 PolarHBondContact O-N 2.88Å; N596-I599 PolarHBondContact OD1-N 3.22Å; N596-A618 WeakPolarHBondContact O-CB 3.37Å
597	F	76.5	Confident	85.5	Confident	30 Å²	30	49.8 Å²	49.8	13%	0.132	24%	0.242	C	C	.	.	S	Bend	trans	-61.5	-22.7	-178.7	-60.2	-83.2	0	0	0	114.1	L378 S379 P404 E405 F407 G616 H617 A618	L378-F597 VanDerWaalsContact O-CD2 3.24Å; L378-F597 WeakPolarHBondContact O-CD2 3.12Å; L378-F597 WeakPolarHBondContact O-CE2 3.41Å; S379-F597 VanDerWaalsContact CA-CD2 3.44Å; P404-F597 HydrophobicContact CB-CD1 3.5Å; P404-F597 HydrophobicContact CB-CE1 3.57Å; P404-F597 HydrophobicContact CB-CG 4.39Å; P404-F597 HydrophobicContact CB-CZ 4.49Å; P404-F597 HydrophobicContact CG-CD1 3.56Å; P404-F597 HydrophobicContact CG-CE1 3.34Å; P404-F597 HydrophobicContact CG-CE2 4.38Å; P404-F597 HydrophobicContact CG-CG 4.16Å; P404-F597 HydrophobicContact CG-CZ 3.79Å; E405-F597 WeakPolarHBondContact O-CE1 3.41Å; F407-F597 HydrophobicContact CB-CZ 4.28Å; F407-F597 HydrophobicContact CD2-CE2 4.45Å; F407-F597 HydrophobicContact CD2-CZ 4.13Å; F597-G616 CarbonylContact O-C 3.56Å; F597-G616 WeakPolarHBondContact O-CA 3.44Å; F597-G616 VanDerWaalsContact O-O 3.13Å; F597-H617 PolarHBondContact O-N 3.03Å; F597-A618 WeakPolarHBondContact O-CB 3.36Å; F597-A618 PolarHBondContact O-N 2.8Å
598	K	77.8	Confident	85.5	Confident	23 Å²	23	50 Å²	50	10%	0.1	24%	0.244	C	C	.	.	S	Bend	trans	-101.7	-43.8	174.1	-60.8	178.4	-172.3	155.9	0	112.4	G267 G380 N596 E612 D613 A618	G267-K598 PolarHBondContact O-NZ 2.98Å; G380-K598 WeakPolarHBondContact O-CE 3.2Å; G380-K598 PolarHBondContact O-NZ 2.67Å; N596-K598 PolarHBondContact O-N 2.77Å; N596-K598 PolarHBondContact OD1-N 3.14Å; K598-E612 HydrophobicContact CB-CG 4.16Å; K598-E612 CarbonylContact O-C 3.39Å; K598-E612 WeakPolarHBondContact O-CA 3.36Å; K598-D613 WeakPolarHBondContact CA-O 3.45Å; K598-D613 WeakPolarHBondContact CB-O 3.23Å; K598-D613 WeakPolarHBondContact CG-O 3.48Å; K598-D613 PolarHBondContact O-N 3.03Å; K598-A618 WeakPolarHBondContact O-CB 3.25Å
599	I	80.6	Confident	85.8	Confident	1 Å²	1	43.7 Å²	43.7	1%	0.005	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	128.3	-171.3	-57.6	-178.9	0	0	0	110.5	L266 L464 K595 N596 F601 L611 E612	L266-I599 WeakPolarHBondContact O-CD1 3.36Å; L464-I599 HydrophobicContact CD1-CD1 3.81Å; L464-I599 HydrophobicContact CD2-CG2 4.45Å; L464-I599 HydrophobicContact CG-CD1 4.3Å; L464-I599 HydrophobicContact CG-CG2 4.34Å; K595-I599 WeakPolarHBondContact CA-O 3.27Å; K595-I599 HydrophobicContact CB-CB 4.33Å; K595-I599 HydrophobicContact CB-CG2 4.1Å; K595-I599 WeakPolarHBondContact CB-O 3.16Å; K595-I599 PolarHBondContact N-O 2.98Å; N596-I599 PolarHBondContact N-O 3.43Å; N596-I599 PolarHBondContact O-N 2.88Å; N596-I599 PolarHBondContact OD1-N 3.22Å; I599-F601 HydrophobicContact CG2-CD1 4.16Å; I599-F601 HydrophobicContact CG2-CE1 3.37Å; I599-F601 HydrophobicContact CG2-CZ 4.06Å; I599-L611 WeakPolarHBondContact CA-O 3.45Å; I599-E612 HydrophobicContact CG1-CB 4.37Å; I599-E612 HydrophobicContact CG1-CG 4Å
600	F	88.3	Confident	85.9	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	149.1	168.4	68.8	-73.2	0	0	0	111.8	L549 E593 V602 L611 A618 W621 C622 I625	L549-F600 HydrophobicContact CD1-CE1 3.88Å; L549-F600 HydrophobicContact CD1-CZ 3.59Å; L549-F600 HydrophobicContact CD2-CE1 4.13Å; E593-F600 CarbonylContact O-C 3.47Å; E593-F600 VanDerWaalsContact O-CA 3.29Å; E593-F600 WeakPolarHBondContact O-CA 3.31Å; E593-F600 WeakPolarHBondContact O-CB 2.94Å; F600-V602 HydrophobicContact CD2-CG2 4.1Å; F600-V602 HydrophobicContact CE2-CG2 3.91Å; F600-L611 HydrophobicContact CD1-CB 4.12Å; F600-L611 HydrophobicContact CD2-CD1 4.43Å; F600-L611 HydrophobicContact CE1-CB 3.79Å; F600-L611 HydrophobicContact CE1-CD1 4.43Å; F600-L611 HydrophobicContact CE2-CB 4.27Å; F600-L611 HydrophobicContact CE2-CD1 3.64Å; F600-L611 HydrophobicContact CZ-CB 3.88Å; F600-L611 HydrophobicContact CZ-CD1 3.65Å; F600-L611 HydrophobicContact CZ-CG 4.4Å; F600-L611 PolarHBondContact N-O 3.22Å; F600-L611 WeakPolarHBondContact O-CB 3.4Å; F600-L611 PolarHBondContact O-N 3.17Å; F600-L611 VanDerWaalsContact O-N 3.07Å; F600-A618 HydrophobicContact CB-CB 4.07Å; F600-A618 HydrophobicContact CD1-CB 3.7Å; F600-A618 HydrophobicContact CG-CB 4.23Å; F600-W621 HydrophobicContact CD1-CB 4.45Å; F600-W621 HydrophobicContact CD2-CB 4.34Å; F600-W621 HydrophobicContact CE1-CB 3.86Å; F600-W621 AromaticContact CE1-CG 3.93Å; F600-W621 HydrophobicContact CE1-CG 3.93Å; F600-W621 HydrophobicContact CE2-CB 3.73Å; F600-W621 HydrophobicContact CE2-CG 4.35Å; F600-W621 HydrophobicContact CZ-CB 3.45Å; F600-W621 VanDerWaalsContact CZ-CB 3.45Å; F600-W621 HydrophobicContact CZ-CD2 4.08Å; F600-W621 AromaticContact CZ-CG 3.62Å; F600-W621 HydrophobicContact CZ-CG 3.62Å; F600-C622 WeakPolarHBondContact CB-SG 3.41Å; F600-I625 HydrophobicContact CE2-CD1 4.02Å
601	F	91	Very high	85.9	Confident	6 Å²	6	41.5 Å²	41.5	3%	0.026	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	139.9	178.8	-58.3	-14.5	0	0	0	110	Y463 L464 P592 E593 K595 I599 Y603 T608 Y609 Y610	Y463-F601 VanDerWaalsContact O-CE2 3.31Å; Y463-F601 WeakPolarHBondContact O-CE2 3.22Å; Y463-F601 WeakPolarHBondContact O-CZ 3.26Å; L464-F601 HydrophobicContact CD2-CE1 3.5Å; L464-F601 HydrophobicContact CD2-CZ 3.77Å; L464-F601 HydrophobicContact CG-CE1 4.24Å; L464-F601 HydrophobicContact CG-CZ 4.23Å; P592-F601 CarbonylContact C-O 3.2Å; P592-F601 WeakPolarHBondContact CA-O 3.45Å; E593-F601 PolarHBondContact N-O 3.23Å; E593-F601 PolarHBondContact O-N 3.02Å; K595-F601 HydrophobicContact CD-CD2 4.34Å; K595-F601 HydrophobicContact CD-CE2 4.24Å; K595-F601 VanDerWaalsContact CE-CD2 3.48Å; K595-F601 HydrophobicContact CG-CD1 4.32Å; K595-F601 HydrophobicContact CG-CD2 3.93Å; K595-F601 HydrophobicContact CG-CE1 4.13Å; K595-F601 HydrophobicContact CG-CE2 3.77Å; K595-F601 HydrophobicContact CG-CG 4.18Å; K595-F601 HydrophobicContact CG-CZ 3.84Å; I599-F601 HydrophobicContact CG2-CD1 4.16Å; I599-F601 HydrophobicContact CG2-CE1 3.37Å; I599-F601 HydrophobicContact CG2-CZ 4.06Å; F601-Y603 HydrophobicContact CB-CD2 4.2Å; F601-Y603 HydrophobicContact CB-CE2 3.63Å; F601-Y603 HydrophobicContact CD2-CE2 4.48Å; F601-Y603 AromaticContact CD2-CZ 4Å; F601-T608 HydrophobicContact CB-CG2 3.94Å; F601-T608 HydrophobicContact CD2-CG2 4.3Å; F601-T608 HydrophobicContact CG-CG2 4.2Å; F601-Y609 WeakPolarHBondContact CA-O 3.28Å; F601-Y610 AromaticContact CD1-CD1 3.66Å; F601-Y610 HydrophobicContact CD1-CD1 3.66Å; F601-Y610 HydrophobicContact CD1-CE1 4.46Å; F601-Y610 HydrophobicContact CD1-CG 4.47Å; F601-Y610 HydrophobicContact CD2-CD1 4.12Å; F601-Y610 HydrophobicContact CD2-CE1 4.11Å; F601-Y610 AromaticContact CE1-CD1 3.54Å; F601-Y610 HydrophobicContact CE1-CD1 3.54Å; F601-Y610 HydrophobicContact CE1-CE1 4.35Å; F601-Y610 HydrophobicContact CE1-CG 4.46Å; F601-Y610 AromaticContact CE2-CD1 3.95Å; F601-Y610 HydrophobicContact CE2-CD1 3.95Å; F601-Y610 AromaticContact CE2-CE1 3.93Å; F601-Y610 HydrophobicContact CE2-CE1 3.93Å; F601-Y610 HydrophobicContact CG-CD1 4.02Å; F601-Y610 HydrophobicContact CG-CE1 4.41Å; F601-Y610 AromaticContact CZ-CD1 3.69Å; F601-Y610 HydrophobicContact CZ-CD1 3.69Å; F601-Y610 HydrophobicContact CZ-CE1 4.08Å
602	V	92.1	Very high	85.6	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	111.6	167.2	-175.3	0	0	0	0	107.3	I584 L590 F600 Y609 L611 I625	I584-V602 HydrophobicContact CD1-CB 4.18Å; I584-V602 HydrophobicContact CD1-CG1 4.33Å; I584-V602 HydrophobicContact CD1-CG2 4.38Å; I584-V602 HydrophobicContact CG2-CG1 4.04Å; L590-V602 HydrophobicContact CD1-CG1 4.07Å; L590-V602 HydrophobicContact CD2-CG1 4.02Å; L590-V602 HydrophobicContact CG-CG1 3.9Å; F600-V602 HydrophobicContact CD2-CG2 4.1Å; F600-V602 HydrophobicContact CE2-CG2 3.91Å; V602-Y609 PolarHBondContact N-O 2.67Å; V602-Y609 WeakPolarHBondContact O-CB 3.35Å; V602-Y609 PolarHBondContact O-N 2.94Å; V602-L611 HydrophobicContact CG2-CD1 4.01Å; V602-I625 HydrophobicContact CG2-CD1 3.93Å
603	Y	90.8	Very high	85.3	Confident	44 Å²	44	36.1 Å²	36.1	17%	0.173	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	136.6	179.5	-58.2	-99.7	0	0	0	109.3	L590 R591 E593 F601 T608	L590-Y603 WeakPolarHBondContact CA-O 3.3Å; R591-Y603 HydrophobicContact CG-CD2 3.99Å; R591-Y603 HydrophobicContact CG-CG 4.23Å; R591-Y603 VanDerWaalsContact CZ-CD2 3.41Å; R591-Y603 PolarHBondContact N-O 3.49Å; R591-Y603 VanDerWaalsContact NH1-CE2 3.31Å; R591-Y603 VanDerWaalsContact NH2-CZ 3.28Å; R591-Y603 PolarHBondContact O-N 2.91Å; E593-Y603 HydrophobicContact CB-CD2 4.45Å; E593-Y603 HydrophobicContact CB-CE2 3.77Å; E593-Y603 WeakPolarHBondContact OE2-CE2 3.39Å; E593-Y603 PolarHBondContact OE2-OH 3.44Å; E593-Y603 VanDerWaalsContact OE2-OH 3.1Å; F601-Y603 HydrophobicContact CB-CD2 4.2Å; F601-Y603 HydrophobicContact CB-CE2 3.63Å; F601-Y603 HydrophobicContact CD2-CE2 4.48Å; F601-Y603 AromaticContact CD2-CZ 4Å; Y603-T608 HydrophobicContact CD1-CG2 3.76Å; Y603-T608 WeakPolarHBondContact CD1-OG1 3.43Å; Y603-T608 HydrophobicContact CE1-CG2 3.76Å; Y603-T608 HydrophobicContact CG-CG2 4.33Å
604	T	89	Confident	84.6	Confident	16 Å²	16	37.6 Å²	37.6	10%	0.098	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	160.3	166.8	72	0	0	0	0	108.4	I584 P585 L590 N606 R607 Y609	I584-T604 HydrophobicContact CG2-CG2 3.76Å; P585-T604 WeakPolarHBondContact O-CG2 3.49Å; L590-T604 HydrophobicContact CD1-CG2 4.24Å; L590-T604 HydrophobicContact CG-CG2 4.43Å; T604-N606 PolarHBondContact O-N 3.39Å; T604-R607 PolarHBondContact N-O 3.11Å; T604-R607 PolarHBondContact O-N 3.41Å; T604-R607 PolarHBondContact OG1-O 3.34Å; T604-R607 VanDerWaalsContact OG1-O 3.11Å; T604-Y609 HydrophobicContact CG2-CE2 4.38Å
605	P	82.1	Confident	84.2	Confident	77 Å²	77	39.4 Å²	39.4	50%	0.5	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.9	-34.7	-172.6	-32.7	36	0	0	0	115.6	T587 E589	T587-P605 HydrophobicContact CG2-CG 4.47Å; T587-P605 WeakPolarHBondContact OG1-CD 3.42Å; E589-P605 HydrophobicContact CB-CG 3.91Å; E589-P605 HydrophobicContact CG-CG 4.2Å
606	N	83.1	Confident	84	Confident	164 Å²	164	37.5 Å²	37.5	88%	0.877	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.8	-5.4	-175.9	-61.3	-38.5	0	0	0	113.7	T604	T604-N606 PolarHBondContact O-N 3.39Å
607	R	86.4	Confident	84.6	Confident	90 Å²	90	42.1 Å²	42.1	34%	0.34	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.4	132.2	-169.4	-172.2	169.7	-177.2	-174.7	11	114.9	T604 Y609	T604-R607 PolarHBondContact N-O 3.11Å; T604-R607 PolarHBondContact O-N 3.41Å; T604-R607 PolarHBondContact OG1-O 3.34Å; T604-R607 VanDerWaalsContact OG1-O 3.11Å; R607-Y609 HydrophobicContact CB-CD2 4.36Å; R607-Y609 HydrophobicContact CB-CE2 3.91Å; R607-Y609 HydrophobicContact CG-CD2 3.94Å; R607-Y609 HydrophobicContact CG-CE2 3.68Å; R607-Y609 PolarHBondContact NH1-OH 3.29Å
608	T	86.1	Confident	84.9	Confident	40 Å²	40	40.7 Å²	40.7	25%	0.245	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	130	160.3	-48.1	0	0	0	0	110.7	F601 Y603 Y610	F601-T608 HydrophobicContact CB-CG2 3.94Å; F601-T608 HydrophobicContact CD2-CG2 4.3Å; F601-T608 HydrophobicContact CG-CG2 4.2Å; Y603-T608 HydrophobicContact CD1-CG2 3.76Å; Y603-T608 WeakPolarHBondContact CD1-OG1 3.43Å; Y603-T608 HydrophobicContact CE1-CG2 3.76Å; Y603-T608 HydrophobicContact CG-CG2 4.33Å; T608-Y610 HydrophobicContact CG2-CD1 4.13Å; T608-Y610 HydrophobicContact CG2-CE1 3.72Å; T608-Y610 HydrophobicContact CG2-CE2 4.31Å
609	Y	90.8	Very high	85.3	Confident	11 Å²	11	41.8 Å²	41.8	4%	0.043	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	109.8	171.6	-72.4	-108.3	0	0	0	109	Y572 Q583 I584 P585 F601 V602 T604 R607	Y572-Y609 HydrophobicContact CE1-CE1 4.19Å; Q583-Y609 PolarHBondContact O-OH 3.05Å; I584-Y609 HydrophobicContact CB-CE1 4.37Å; I584-Y609 HydrophobicContact CD1-CD1 3.75Å; I584-Y609 HydrophobicContact CD1-CD2 4.45Å; I584-Y609 HydrophobicContact CD1-CE1 4.3Å; I584-Y609 HydrophobicContact CD1-CG 3.83Å; I584-Y609 HydrophobicContact CG1-CD1 3.67Å; I584-Y609 HydrophobicContact CG1-CD2 4.5Å; I584-Y609 HydrophobicContact CG1-CE1 3.7Å; I584-Y609 HydrophobicContact CG1-CG 4.09Å; I584-Y609 HydrophobicContact CG2-CD2 3.96Å; I584-Y609 HydrophobicContact CG2-CE2 3.87Å; I584-Y609 HydrophobicContact CG2-CG 4.35Å; P585-Y609 VanDerWaalsContact CD-OH 3.23Å; P585-Y609 WeakPolarHBondContact CD-OH 3.35Å; F601-Y609 WeakPolarHBondContact CA-O 3.28Å; V602-Y609 PolarHBondContact N-O 2.67Å; V602-Y609 WeakPolarHBondContact O-CB 3.35Å; V602-Y609 PolarHBondContact O-N 2.94Å; T604-Y609 HydrophobicContact CG2-CE2 4.38Å; R607-Y609 HydrophobicContact CB-CD2 4.36Å; R607-Y609 HydrophobicContact CB-CE2 3.91Å; R607-Y609 HydrophobicContact CG-CD2 3.94Å; R607-Y609 HydrophobicContact CG-CE2 3.68Å; R607-Y609 PolarHBondContact NH1-OH 3.29Å
610	Y	87.7	Confident	85.7	Confident	71 Å²	71	45 Å²	45	28%	0.278	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	110.8	178.3	-58	-75.6	0	0	0	109.9	L464 P465 R552 F601 T608	L464-Y610 HydrophobicContact CD2-CD1 3.69Å; L464-Y610 HydrophobicContact CD2-CG 3.96Å; P465-Y610 HydrophobicContact CG-CE1 4.47Å; R552-Y610 PolarHBondContact N-O 3.22Å; F601-Y610 AromaticContact CD1-CD1 3.66Å; F601-Y610 HydrophobicContact CD1-CD1 3.66Å; F601-Y610 HydrophobicContact CD1-CE1 4.46Å; F601-Y610 HydrophobicContact CD1-CG 4.47Å; F601-Y610 HydrophobicContact CD2-CD1 4.12Å; F601-Y610 HydrophobicContact CD2-CE1 4.11Å; F601-Y610 AromaticContact CE1-CD1 3.54Å; F601-Y610 HydrophobicContact CE1-CD1 3.54Å; F601-Y610 HydrophobicContact CE1-CE1 4.35Å; F601-Y610 HydrophobicContact CE1-CG 4.46Å; F601-Y610 AromaticContact CE2-CD1 3.95Å; F601-Y610 HydrophobicContact CE2-CD1 3.95Å; F601-Y610 AromaticContact CE2-CE1 3.93Å; F601-Y610 HydrophobicContact CE2-CE1 3.93Å; F601-Y610 HydrophobicContact CG-CD1 4.02Å; F601-Y610 HydrophobicContact CG-CE1 4.41Å; F601-Y610 AromaticContact CZ-CD1 3.69Å; F601-Y610 HydrophobicContact CZ-CD1 3.69Å; F601-Y610 HydrophobicContact CZ-CE1 4.08Å; T608-Y610 HydrophobicContact CG2-CD1 4.13Å; T608-Y610 HydrophobicContact CG2-CE1 3.72Å; T608-Y610 HydrophobicContact CG2-CE2 4.31Å
611	L	90.7	Very high	85.8	Confident	3 Å²	3	45.2 Å²	45.2	2%	0.016	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	145.6	-173.7	-53.9	179.3	0	0	0	111.2	L549 E550 K551 F562 I584 I599 F600 V602	L549-L611 HydrophobicContact CD1-CB 4.36Å; L549-L611 HydrophobicContact CD1-CD1 4.14Å; E550-L611 WeakPolarHBondContact O-CA 3.46Å; K551-L611 HydrophobicContact CB-CD2 4.09Å; K551-L611 HydrophobicContact CG-CD2 3.87Å; F562-L611 HydrophobicContact CE1-CD1 4Å; F562-L611 HydrophobicContact CE1-CD2 3.91Å; F562-L611 HydrophobicContact CE2-CD2 3.96Å; F562-L611 HydrophobicContact CZ-CD1 4.25Å; F562-L611 HydrophobicContact CZ-CD2 3.33Å; F562-L611 HydrophobicContact CZ-CG 4.45Å; I584-L611 HydrophobicContact CD1-CD1 4.28Å; I599-L611 WeakPolarHBondContact CA-O 3.45Å; F600-L611 HydrophobicContact CD1-CB 4.12Å; F600-L611 HydrophobicContact CD2-CD1 4.43Å; F600-L611 HydrophobicContact CE1-CB 3.79Å; F600-L611 HydrophobicContact CE1-CD1 4.43Å; F600-L611 HydrophobicContact CE2-CB 4.27Å; F600-L611 HydrophobicContact CE2-CD1 3.64Å; F600-L611 HydrophobicContact CZ-CB 3.88Å; F600-L611 HydrophobicContact CZ-CD1 3.65Å; F600-L611 HydrophobicContact CZ-CG 4.4Å; F600-L611 PolarHBondContact N-O 3.22Å; F600-L611 WeakPolarHBondContact O-CB 3.4Å; F600-L611 PolarHBondContact O-N 3.17Å; F600-L611 VanDerWaalsContact O-N 3.07Å; V602-L611 HydrophobicContact CG2-CD1 4.01Å
612	E	85.8	Confident	85.8	Confident	15 Å²	15	45.2 Å²	45.2	7%	0.07	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	119.6	178	-176.4	172.4	-179.1	0	0	110.3	L549 E550 R552 K598 I599 L614	L549-E612 CarbonylContact C-O 3.58Å; L549-E612 WeakPolarHBondContact CA-O 3.42Å; E550-E612 HydrophobicContact CB-CB 4.29Å; E550-E612 PolarHBondContact N-O 3.12Å; E550-E612 PolarHBondContact O-N 3.47Å; R552-E612 IonicContact NH2-OE2 2.67Å; R552-E612 PolarHBondContact NH2-OE2 3.27Å; K598-E612 HydrophobicContact CB-CG 4.16Å; K598-E612 CarbonylContact O-C 3.39Å; K598-E612 WeakPolarHBondContact O-CA 3.36Å; I599-E612 HydrophobicContact CG1-CB 4.37Å; I599-E612 HydrophobicContact CG1-CG 4Å; E612-L614 HydrophobicContact CG-CD2 4.22Å
613	D	85.9	Confident	85.7	Confident	8 Å²	8	49.8 Å²	49.8	4%	0.043	25%	0.251	C	S	.	.			trans	-94.9	103.6	172	-165.9	-30.2	0	0	0	109.6	L549 K598 T615 G616 W621	L549-D613 HydrophobicContact CD2-CB 3.42Å; L549-D613 VanDerWaalsContact CD2-CB 3.42Å; K598-D613 WeakPolarHBondContact CA-O 3.45Å; K598-D613 WeakPolarHBondContact CB-O 3.23Å; K598-D613 WeakPolarHBondContact CG-O 3.48Å; K598-D613 PolarHBondContact O-N 3.03Å; D613-T615 VanDerWaalsContact CG-OG1 3.29Å; D613-T615 PolarHBondContact O-N 3.24Å; D613-T615 WeakPolarHBondContact OD1-CB 3.46Å; D613-T615 PolarHBondContact OD1-N 2.69Å; D613-T615 PolarHBondContact OD1-OG1 3.09Å; D613-G616 PolarHBondContact O-N 3.26Å; D613-G616 VanDerWaalsContact O-N 3.09Å; D613-W621 VanDerWaalsContact OD2-CD1 3.22Å; D613-W621 PolarHBondContact OD2-NE1 2.95Å
614	L	76	Confident	85.7	Confident	91 Å²	91	48.4 Å²	48.4	48%	0.476	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-13.3	-179	-60.4	177	0	0	0	113.5	E550 E612	E550-L614 HydrophobicContact CG-CD1 4.2Å; E550-L614 HydrophobicContact CG-CG 4.39Å; E612-L614 HydrophobicContact CG-CD2 4.22Å
615	T	76.3	Confident	85.8	Confident	76 Å²	76	47.8 Å²	47.8	47%	0.466	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-18.5	176.6	69	0	0	0	0	113.6	D613 H617	D613-T615 VanDerWaalsContact CG-OG1 3.29Å; D613-T615 PolarHBondContact O-N 3.24Å; D613-T615 WeakPolarHBondContact OD1-CB 3.46Å; D613-T615 PolarHBondContact OD1-N 2.69Å; D613-T615 PolarHBondContact OD1-OG1 3.09Å; T615-H617 PolarHBondContact OG1-CD2 2.9Å
616	G	75.6	Confident	86.2	Confident	10 Å²	10	48.6 Å²	48.6	10%	0.103	24%	0.24	C	C	.	.	S	Bend	trans	92.4	25.6	-179.7	0	0	0	0	0	115.2	F597 D613	F597-G616 CarbonylContact O-C 3.56Å; F597-G616 WeakPolarHBondContact O-CA 3.44Å; F597-G616 VanDerWaalsContact O-O 3.13Å; D613-G616 PolarHBondContact O-N 3.26Å; D613-G616 VanDerWaalsContact O-N 3.09Å
617	H	83.9	Confident	86.5	Confident	108 Å²	108	47 Å²	47	50%	0.5	23%	0.227	S	C	.	.			trans	-112.5	29.7	-177.2	-60.3	-47.2	0	0	0	114.4	F597 T615 L619 D620 W621	F597-H617 PolarHBondContact O-N 3.03Å; T615-H617 PolarHBondContact OG1-CD2 2.9Å; H617-L619 VanDerWaalsContact C-N 3.33Å; H617-L619 PolarHBondContact O-N 2.84Å; H617-D620 HydrophobicContact CB-CB 4.45Å; H617-D620 WeakPolarHBondContact O-CB 3.37Å; H617-D620 PolarHBondContact O-N 3.23Å; H617-W621 PolarHBondContact O-N 3.19Å
618	A	83.8	Confident	86.5	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-60.7	-35.7	-178.2	0	0	0	0	0	114.4	N596 F597 K598 F600 W621 C622	N596-A618 WeakPolarHBondContact O-CB 3.37Å; F597-A618 WeakPolarHBondContact O-CB 3.36Å; F597-A618 PolarHBondContact O-N 2.8Å; K598-A618 WeakPolarHBondContact O-CB 3.25Å; F600-A618 HydrophobicContact CB-CB 4.07Å; F600-A618 HydrophobicContact CD1-CB 3.7Å; F600-A618 HydrophobicContact CG-CB 4.23Å; A618-W621 WeakPolarHBondContact O-CB 3.47Å; A618-W621 PolarHBondContact O-N 3.27Å; A618-C622 PolarHBondContact O-N 3.31Å; A618-C622 PolarHBondContact O-SG 3.49Å
619	L	86.2	Confident	86.6	Confident	47 Å²	47	42.5 Å²	42.5	25%	0.246	21%	0.208	C	C	.	.	H	α-helix	trans	-67	-38.6	177.2	-175.2	64.6	0	0	0	111.9	E405 A594 H617 C622 R623	E405-L619 HydrophobicContact CB-CD2 4.31Å; E405-L619 HydrophobicContact CG-CD2 4.29Å; E405-L619 WeakPolarHBondContact O-CD2 3.48Å; A594-L619 HydrophobicContact CB-CB 4.45Å; A594-L619 HydrophobicContact CB-CD1 3.96Å; H617-L619 VanDerWaalsContact C-N 3.33Å; H617-L619 PolarHBondContact O-N 2.84Å; L619-C622 WeakPolarHBondContact O-CB 3.41Å; L619-C622 PolarHBondContact O-N 3.16Å; L619-R623 WeakPolarHBondContact O-CG 3.43Å; L619-R623 PolarHBondContact O-N 3.29Å
620	D	88.6	Confident	86.4	Confident	69 Å²	69	47.1 Å²	47.1	37%	0.369	23%	0.23	S	C	.	.	H	α-helix	trans	-65.4	-39.5	176.3	177.2	45.3	0	0	0	111.4	K545 H617 C622 R623 T624	K545-D620 WeakPolarHBondContact CE-OD2 3.07Å; K545-D620 IonicContact NZ-OD2 2.79Å; K545-D620 PolarHBondContact NZ-OD2 2.67Å; H617-D620 HydrophobicContact CB-CB 4.45Å; H617-D620 WeakPolarHBondContact O-CB 3.37Å; H617-D620 PolarHBondContact O-N 3.23Å; D620-C622 PolarHBondContact O-N 3.3Å; D620-R623 PolarHBondContact O-N 3.06Å; D620-T624 WeakPolarHBondContact O-CB 3.45Å; D620-T624 PolarHBondContact O-N 3.38Å; D620-T624 PolarHBondContact O-OG1 3.11Å
621	W	90.9	Very high	86.2	Confident	3 Å²	3	50 Å²	50	1%	0.011	24%	0.244	C	C	.	.	H	α-helix	trans	-57.6	-47.6	167.8	-81.4	101.5	0	0	0	112.6	K545 L549 F562 L564 F600 D613 H617 A618 R623 T624 I625	K545-W621 HydrophobicContact CB-CZ3 4.37Å; K545-W621 HydrophobicContact CD-CD2 3.83Å; K545-W621 HydrophobicContact CD-CE3 3.8Å; K545-W621 HydrophobicContact CD-CG 4.34Å; K545-W621 HydrophobicContact CD-CH2 4.39Å; K545-W621 HydrophobicContact CD-CZ2 4.42Å; K545-W621 HydrophobicContact CD-CZ3 4.09Å; K545-W621 HydrophobicContact CG-CD2 4.46Å; K545-W621 HydrophobicContact CG-CE3 4.24Å; K545-W621 HydrophobicContact CG-CH2 3.99Å; K545-W621 HydrophobicContact CG-CZ2 4.21Å; K545-W621 HydrophobicContact CG-CZ3 4Å; L549-W621 HydrophobicContact CD1-CD2 4.27Å; L549-W621 HydrophobicContact CD1-CH2 4.49Å; L549-W621 HydrophobicContact CD1-CZ2 4.12Å; L549-W621 HydrophobicContact CD2-CZ2 4.32Å; L549-W621 HydrophobicContact CG-CZ2 4.21Å; F562-W621 HydrophobicContact CB-CH2 3.77Å; F562-W621 HydrophobicContact CB-CZ2 4.41Å; F562-W621 HydrophobicContact CB-CZ3 4.26Å; L564-W621 HydrophobicContact CB-CZ3 4.25Å; F600-W621 HydrophobicContact CD1-CB 4.45Å; F600-W621 HydrophobicContact CD2-CB 4.34Å; F600-W621 HydrophobicContact CE1-CB 3.86Å; F600-W621 AromaticContact CE1-CG 3.93Å; F600-W621 HydrophobicContact CE1-CG 3.93Å; F600-W621 HydrophobicContact CE2-CB 3.73Å; F600-W621 HydrophobicContact CE2-CG 4.35Å; F600-W621 HydrophobicContact CZ-CB 3.45Å; F600-W621 VanDerWaalsContact CZ-CB 3.45Å; F600-W621 HydrophobicContact CZ-CD2 4.08Å; F600-W621 AromaticContact CZ-CG 3.62Å; F600-W621 HydrophobicContact CZ-CG 3.62Å; D613-W621 VanDerWaalsContact OD2-CD1 3.22Å; D613-W621 PolarHBondContact OD2-NE1 2.95Å; H617-W621 PolarHBondContact O-N 3.19Å; A618-W621 WeakPolarHBondContact O-CB 3.47Å; A618-W621 PolarHBondContact O-N 3.27Å; W621-R623 PolarHBondContact O-N 3.32Å; W621-T624 PolarHBondContact O-N 3.15Å; W621-I625 WeakPolarHBondContact O-CB 3.39Å; W621-I625 WeakPolarHBondContact O-CD1 3.49Å; W621-I625 WeakPolarHBondContact O-CG1 3.43Å; W621-I625 PolarHBondContact O-N 2.87Å
622	C	91	Very high	85.8	Confident	7 Å²	7	54.9 Å²	54.9	5%	0.047	26%	0.263	C	S	.	.	H	α-helix	trans	-60.1	-49.2	-179.6	-65.5	0	0	0	0	111.6	P592 A594 F600 A618 L619 D620 T624 I625 E626	P592-C622 HydrophobicContact CB-CB 3.85Å; P592-C622 HydrophobicContact CG-CB 4.22Å; P592-C622 VanDerWaalsContact CG-O 3.25Å; P592-C622 WeakPolarHBondContact CG-O 3.29Å; A594-C622 PolarHBondContact N-SG 3.38Å; F600-C622 WeakPolarHBondContact CB-SG 3.41Å; A618-C622 PolarHBondContact O-N 3.31Å; A618-C622 PolarHBondContact O-SG 3.49Å; L619-C622 WeakPolarHBondContact O-CB 3.41Å; L619-C622 PolarHBondContact O-N 3.16Å; D620-C622 PolarHBondContact O-N 3.3Å; C622-T624 PolarHBondContact O-N 3.33Å; C622-I625 PolarHBondContact O-N 2.9Å; C622-E626 WeakPolarHBondContact O-CB 3.38Å; C622-E626 PolarHBondContact O-N 3.47Å
623	R	90	Very high	85.6	Confident	96 Å²	96	57.7 Å²	57.7	36%	0.362	28%	0.275	S	S	.	.	H	α-helix	trans	-61.6	-44.1	178.3	-70.4	165.6	168.3	-141.2	6.2	112.5	E405 L619 D620 W621 I625 E626 Q627	E405-R623 IonicContact OE1-CZ 3.1Å; E405-R623 IonicContact OE1-NH1 3.24Å; E405-R623 PolarHBondContact OE1-NH1 2.98Å; E405-R623 IonicContact OE1-NH2 2.68Å; E405-R623 PolarHBondContact OE1-NH2 3.47Å; E405-R623 IonicContact OE2-CZ 3.19Å; E405-R623 IonicContact OE2-NE 3.9Å; E405-R623 IonicContact OE2-NH1 3.72Å; E405-R623 PolarHBondContact OE2-NH1 2.69Å; E405-R623 IonicContact OE2-NH2 3.28Å; E405-R623 PolarHBondContact OE2-NH2 3.32Å; L619-R623 WeakPolarHBondContact O-CG 3.43Å; L619-R623 PolarHBondContact O-N 3.29Å; D620-R623 PolarHBondContact O-N 3.06Å; W621-R623 PolarHBondContact O-N 3.32Å; R623-I625 VanDerWaalsContact C-N 3.34Å; R623-I625 PolarHBondContact O-N 2.97Å; R623-E626 PolarHBondContact O-N 3Å; R623-Q627 WeakPolarHBondContact O-CB 3.08Å; R623-Q627 VanDerWaalsContact O-CG 3.25Å; R623-Q627 WeakPolarHBondContact O-CG 3.3Å; R623-Q627 PolarHBondContact O-N 2.94Å
624	T	90	Very high	84.7	Confident	15 Å²	15	60.7 Å²	60.7	9%	0.092	30%	0.3	C	S	.	.	H	α-helix	trans	-64.7	-41.1	179	-46.6	0	0	0	0	110.8	I544 K545 L564 D620 W621 C622 V628	I544-T624 HydrophobicContact CG2-CG2 3.69Å; K545-T624 HydrophobicContact CB-CG2 4.21Å; K545-T624 HydrophobicContact CD-CG2 4.32Å; L564-T624 HydrophobicContact CD2-CG2 3.52Å; D620-T624 WeakPolarHBondContact O-CB 3.45Å; D620-T624 PolarHBondContact O-N 3.38Å; D620-T624 PolarHBondContact O-OG1 3.11Å; W621-T624 PolarHBondContact O-N 3.15Å; C622-T624 PolarHBondContact O-N 3.33Å; T624-V628 VanDerWaalsContact O-CG2 3.26Å; T624-V628 WeakPolarHBondContact O-CG2 3.48Å; T624-V628 PolarHBondContact O-N 3.37Å
625	I	91.6	Very high	83.7	Confident	2 Å²	2	60.5 Å²	60.5	1%	0.01	31%	0.312	C	S	.	.	H	α-helix	trans	-61.7	-44.9	174.9	-69.3	165.8	0	0	0	110.6	L564 I570 W586 L590 P592 F600 V602 W621 C622 R623 V628 H629	L564-I625 HydrophobicContact CD1-CG1 4.4Å; L564-I625 HydrophobicContact CD2-CG1 3.98Å; I570-I625 HydrophobicContact CD1-CD1 4.02Å; I570-I625 HydrophobicContact CD1-CG1 4.08Å; I570-I625 HydrophobicContact CD1-CG2 4.35Å; W586-I625 HydrophobicContact CH2-CG2 4.07Å; W586-I625 HydrophobicContact CZ3-CG2 4.45Å; L590-I625 HydrophobicContact CD2-CG2 3.59Å; P592-I625 HydrophobicContact CB-CB 4.32Å; P592-I625 HydrophobicContact CB-CG2 4.15Å; P592-I625 HydrophobicContact CG-CB 4.16Å; P592-I625 HydrophobicContact CG-CG2 3.94Å; F600-I625 HydrophobicContact CE2-CD1 4.02Å; V602-I625 HydrophobicContact CG2-CD1 3.93Å; W621-I625 WeakPolarHBondContact O-CB 3.39Å; W621-I625 WeakPolarHBondContact O-CD1 3.49Å; W621-I625 WeakPolarHBondContact O-CG1 3.43Å; W621-I625 PolarHBondContact O-N 2.87Å; C622-I625 PolarHBondContact O-N 2.9Å; R623-I625 VanDerWaalsContact C-N 3.34Å; R623-I625 PolarHBondContact O-N 2.97Å; I625-V628 PolarHBondContact O-N 3.33Å; I625-H629 WeakPolarHBondContact O-CB 3.09Å; I625-H629 PolarHBondContact O-N 3.18Å
626	E	90.3	Very high	82.6	Confident	95 Å²	95	62.8 Å²	62.8	44%	0.444	33%	0.328	S	S	.	.	H	α-helix	trans	-69.3	-39.9	-178.2	-174.1	162.8	-151.6	0	0	113.1	P592 C622 R623 V628 H629 Q630	P592-E626 HydrophobicContact CG-CB 4.06Å; C622-E626 WeakPolarHBondContact O-CB 3.38Å; C622-E626 PolarHBondContact O-N 3.47Å; R623-E626 PolarHBondContact O-N 3Å; E626-V628 VanDerWaalsContact C-N 3.34Å; E626-V628 PolarHBondContact O-N 2.92Å; E626-H629 WeakPolarHBondContact O-CB 3.2Å; E626-H629 PolarHBondContact O-N 3.17Å; E626-Q630 WeakPolarHBondContact O-CG 3.45Å; E626-Q630 PolarHBondContact O-N 2.72Å
627	Q	88	Confident	81.3	Confident	130 Å²	130	67 Å²	67	61%	0.607	36%	0.363	S	S	*	.	H	α-helix	trans	-59.2	-44	172.8	-74.8	170.3	1.1	0	0	112	R623 H629 K631	R623-Q627 WeakPolarHBondContact O-CB 3.08Å; R623-Q627 VanDerWaalsContact O-CG 3.25Å; R623-Q627 WeakPolarHBondContact O-CG 3.3Å; R623-Q627 PolarHBondContact O-N 2.94Å; Q627-H629 VanDerWaalsContact C-N 3.29Å; Q627-K631 PolarHBondContact O-N 3.48Å
628	V	87.3	Confident	79.5	Confident	10 Å²	10	67.2 Å²	67.2	6%	0.061	38%	0.376	C	S	.	.	H	α-helix	trans	-65.8	-36.6	174.1	178.1	0	0	0	0	110.3	I544 L564 W586 T624 I625 E626 K631 Y632	I544-V628 HydrophobicContact CD1-CG1 4.49Å; I544-V628 HydrophobicContact CD1-CG2 3.28Å; L564-V628 HydrophobicContact CD2-CG2 4.36Å; W586-V628 HydrophobicContact CH2-CB 3.87Å; W586-V628 HydrophobicContact CH2-CG1 3.66Å; W586-V628 HydrophobicContact CZ2-CB 4Å; W586-V628 HydrophobicContact CZ2-CG1 3.66Å; T624-V628 VanDerWaalsContact O-CG2 3.26Å; T624-V628 WeakPolarHBondContact O-CG2 3.48Å; T624-V628 PolarHBondContact O-N 3.37Å; I625-V628 PolarHBondContact O-N 3.33Å; E626-V628 VanDerWaalsContact C-N 3.34Å; E626-V628 PolarHBondContact O-N 2.92Å; V628-K631 WeakPolarHBondContact O-CB 3.39Å; V628-K631 PolarHBondContact O-N 2.64Å; V628-Y632 HydrophobicContact CG1-CD2 4.31Å; V628-Y632 HydrophobicContact CG1-CE2 4.27Å; V628-Y632 VanDerWaalsContact O-CD2 3.32Å; V628-Y632 WeakPolarHBondContact O-CD2 3.35Å
629	H	89.2	Confident	77.6	Confident	25 Å²	25	72.5 Å²	72.5	12%	0.116	41%	0.413	C	S	.	.	H	α-helix	trans	-67	-46.9	-178.3	-172.7	-87.7	0	0	0	111.7	W586 T587 K588 L590 I625 E626 Q627 K631 Y632 F633	W586-H629 AromaticContact CE2-CD2 3.92Å; W586-H629 HydrophobicContact CZ2-CB 3.75Å; W586-H629 AromaticContact NE1-CD2 3.46Å; W586-H629 PolarHBondContact NE1-CD2 3.09Å; T587-H629 PolarHBondContact O-NE2 3.03Å; K588-H629 PolarHBondContact O-CE1 3.47Å; K588-H629 VanDerWaalsContact O-CE1 3.26Å; K588-H629 PolarHBondContact O-NE2 3.04Å; L590-H629 PolarHBondContact O-NE2 3.32Å; I625-H629 WeakPolarHBondContact O-CB 3.09Å; I625-H629 PolarHBondContact O-N 3.18Å; E626-H629 WeakPolarHBondContact O-CB 3.2Å; E626-H629 PolarHBondContact O-N 3.17Å; Q627-H629 VanDerWaalsContact C-N 3.29Å; H629-K631 VanDerWaalsContact C-N 3.26Å; H629-K631 PolarHBondContact O-N 3.15Å; H629-Y632 PolarHBondContact O-N 3.34Å; H629-F633 AromaticContact NE2-CD2 3.94Å; H629-F633 PolarHBondContact O-N 2.86Å
630	Q	86.2	Confident	75.7	Confident	109 Å²	109	76.3 Å²	76.3	51%	0.509	44%	0.438	S	S	.	.	H	α-helix	trans	-56.6	-39.6	174.5	-69.3	173.2	7.8	0	0	111.7	E626 Y632 A634	E626-Q630 WeakPolarHBondContact O-CG 3.45Å; E626-Q630 PolarHBondContact O-N 2.72Å; Q630-Y632 PolarHBondContact O-N 3.09Å; Q630-Y632 VanDerWaalsContact O-N 3.15Å; Q630-A634 WeakPolarHBondContact O-CB 3.42Å; Q630-A634 PolarHBondContact O-N 3Å
631	K	83.7	Confident	73.8	Confident	130 Å²	130	78.9 Å²	78.9	57%	0.565	46%	0.459	S	S	*	.	H	α-helix	trans	-59.1	-25	176.8	-172.3	178	176.4	179.1	0	114.1	E566 Q627 V628 H629	E566-K631 IonicContact OE1-NZ 2.65Å; E566-K631 PolarHBondContact OE1-NZ 3.07Å; Q627-K631 PolarHBondContact O-N 3.48Å; V628-K631 WeakPolarHBondContact O-CB 3.39Å; V628-K631 PolarHBondContact O-N 2.64Å; H629-K631 VanDerWaalsContact C-N 3.26Å; H629-K631 PolarHBondContact O-N 3.15Å
632	Y	81.4	Confident	71.9	Confident	106 Å²	106	81.4 Å²	81.4	42%	0.416	49%	0.486	S	S	.	.	H	α-helix	trans	-110.3	-24.3	-179	-72.6	-76.9	0	0	0	114.9	E566 P568 V628 H629 Q630	E566-Y632 WeakPolarHBondContact O-CE2 3.35Å; E566-Y632 VanDerWaalsContact O-CZ 3.26Å; E566-Y632 PolarHBondContact O-OH 3.36Å; P568-Y632 HydrophobicContact CB-CD2 4.22Å; P568-Y632 HydrophobicContact CB-CG 4.45Å; V628-Y632 HydrophobicContact CG1-CD2 4.31Å; V628-Y632 HydrophobicContact CG1-CE2 4.27Å; V628-Y632 VanDerWaalsContact O-CD2 3.32Å; V628-Y632 WeakPolarHBondContact O-CD2 3.35Å; H629-Y632 PolarHBondContact O-N 3.34Å; Q630-Y632 PolarHBondContact O-N 3.09Å; Q630-Y632 VanDerWaalsContact O-N 3.15Å
633	F	81.2	Confident	69.9	Low	75 Å²	75	87.7 Å²	87.7	33%	0.329	53%	0.526	S	S	.	.	H	α-helix	trans	-123.3	-1.7	-171.2	-67	-90.4	0	0	0	114.8	W586 K588 H629 A635	W586-F633 AromaticContact CD1-CE2 3.25Å; W586-F633 AromaticContact CD1-CZ 3.89Å; W586-F633 AromaticContact NE1-CD2 3.74Å; W586-F633 AromaticContact NE1-CE2 3.38Å; K588-F633 HydrophobicContact CB-CD1 3.62Å; K588-F633 HydrophobicContact CB-CE1 3.94Å; K588-F633 HydrophobicContact CG-CD1 3.9Å; H629-F633 AromaticContact NE2-CD2 3.94Å; H629-F633 PolarHBondContact O-N 2.86Å; F633-A635 PolarHBondContact O-N 3.41Å
634	A	67.4	Low	68	Low	70 Å²	70	89.1 Å²	89.1	58%	0.579	55%	0.55	S	S	*	.	P	Polyproline II helix	trans	-58.9	130.1	169.2	0	0	0	0	0	110.2	Q630	Q630-A634 WeakPolarHBondContact O-CB 3.42Å; Q630-A634 PolarHBondContact O-N 3Å
635	A	54.9	Low	65.8	Low	87 Å²	87	101.4 Å²	101.4	72%	0.719	61%	0.606	S	S	*	*	P	Polyproline II helix	trans	-63.2	141.2	170.7	0	0	0	0	0	109.2	F633 A637	F633-A635 PolarHBondContact O-N 3.41Å; A635-A637 PolarHBondContact O-N 2.63Å
636	P	54	Low	64.5	Low	124 Å²	124	106.4 Å²	106.4	81%	0.805	64%	0.636	S	S	*	*	P	Polyproline II helix	trans	-57.7	127.8	170.6	25.4	-32.8	0	0	0	108.4	S638	P636-S638 PolarHBondContact O-N 2.99Å; P636-S638 VanDerWaalsContact O-N 3.1Å
637	A	48	Very low	63.2	Low	100 Å²	100	107 Å²	107	83%	0.826	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-53.7	120.9	179.8	0	0	0	0	0	109.2	A635 S639	A635-A637 PolarHBondContact O-N 2.63Å; A637-S639 PolarHBondContact O-N 3.44Å; A637-S639 VanDerWaalsContact O-N 3.08Å
638	S	45.1	Very low	61.8	Low	111 Å²	111	105.7 Å²	105.7	78%	0.776	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-58.7	117.2	-179	52.2	0	0	0	0	109.2	P636 T640	P636-S638 PolarHBondContact O-N 2.99Å; P636-S638 VanDerWaalsContact O-N 3.1Å; S638-T640 PolarHBondContact O-N 3.45Å; S638-T640 VanDerWaalsContact O-N 3.13Å
639	S	44.3	Very low	60.3	Low	112 Å²	112	111.4 Å²	111.4	78%	0.783	68%	0.683	S	S	*	*	P	Polyproline II helix	trans	-52	119.4	172.7	50.3	0	0	0	0	109.6	A637	A637-S639 PolarHBondContact O-N 3.44Å; A637-S639 VanDerWaalsContact O-N 3.08Å
640	T	46.2	Very low	58.5	Low	127 Å²	127	116.8 Å²	116.8	78%	0.779	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-51.9	128.4	169.1	39.4	0	0	0	0	109.3	S638 G642	S638-T640 PolarHBondContact O-N 3.45Å; S638-T640 VanDerWaalsContact O-N 3.13Å; T640-G642 PolarHBondContact O-N 3.41Å
641	P	50.2	Low	56.6	Low	123 Å²	123	117.3 Å²	117.3	80%	0.799	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-62.3	128.8	167.3	25.5	-29	0	0	0	107.8
642	G	50.9	Low	54.7	Low	56 Å²	56	116.4 Å²	116.4	58%	0.577	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-63.7	157.8	174	0	0	0	0	0	110.9	T640 C644	T640-G642 PolarHBondContact O-N 3.41Å; G642-C644 PolarHBondContact O-N 2.96Å
643	P	47.9	Very low	52.6	Low	138 Å²	138	117.2 Å²	117.2	90%	0.896	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-65.6	125.9	176.3	28.7	-33.2	0	0	0	109.7
644	C	50.7	Low	50.2	Low	127 Å²	127	120.7 Å²	120.7	86%	0.858	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-87.9	152.3	158.4	-69.5	0	0	0	0	109.2	G642	G642-C644 PolarHBondContact O-N 2.96Å
645	E	43.5	Very low	48.7	Very low	273 Å²	273	125.3 Å²	125.3	100%	1.276	83%	0.827	S	S	*	*			trans	-58.9	0	-176.8	-60.7	175.9	129.6	0	0	114.3

Retrieved 645 of 645 residues in 364.8 ms (Link to these results)

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