A0A087Y155_POEFO Loading...

Polypeptide N-acetylgalactosaminyltransferase

AlphaFold DB , UniProt , Accession A0A087Y155, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 632 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	33.7	Very low	34.7	Very low	246 Å²	246	157.5 Å²	157.5	100%	1.212	80%	0.803	S	S	*	*				0	149.3	0	-84.9	176.5	-165.2	0	0	109.8
2	R	25.9	Very low	35.7	Very low	249 Å²	249	154.1 Å²	154.1	94%	0.94	79%	0.786	S	S	*	*			trans	80.7	83.5	-177.1	-63.6	-170.8	177	-177.1	-0.4	116.4
3	A	26.5	Very low	36.7	Very low	106 Å²	106	147.5 Å²	147.5	88%	0.876	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-83.9	132.3	160.5	0	0	0	0	0	109.6
4	V	29.9	Very low	37.2	Very low	128 Å²	128	140.1 Å²	140.1	78%	0.776	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-101.2	123.4	170	175.1	0	0	0	0	108	F6	V4-F6 HydrophobicContact CG1-CD2 4.13Å; V4-F6 HydrophobicContact CG1-CE2 4.46Å
5	S	35	Very low	37.7	Very low	114 Å²	114	135.9 Å²	135.9	80%	0.797	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-76.5	120.5	-179.3	177	0	0	0	0	111.2
6	F	33.9	Very low	39	Very low	168 Å²	168	132.3 Å²	132.3	74%	0.737	72%	0.716	S	S	*	*			trans	-145.6	76	167.3	-102.2	-83.5	0	0	0	110.2	V4	V4-F6 HydrophobicContact CG1-CD2 4.13Å; V4-F6 HydrophobicContact CG1-CE2 4.46Å
7	K	42	Very low	39.8	Very low	184 Å²	184	126.8 Å²	126.8	80%	0.8	70%	0.697	S	S	*	*			trans	-144	30.8	174.4	-76.6	-160.8	178.4	-176.3	0	115.7
8	R	34.7	Very low	40.4	Very low	215 Å²	215	126.3 Å²	126.3	81%	0.811	69%	0.693	S	S	*	*	S	Bend	trans	-119.9	-29.9	172.2	-84.8	-176.1	173.4	-178.6	-2.1	117
9	P	36	Very low	41	Very low	80 Å²	80	126.3 Å²	126.3	52%	0.519	69%	0.691	S	S	.	*	H	α-helix	trans	-75.7	-32.3	-179	-13.2	26.9	0	0	0	113.9	I12 A13	P9-I12 PolarHBondContact O-N 3.16Å; P9-A13 PolarHBondContact O-N 3.18Å
10	V	43.7	Very low	41.6	Very low	115 Å²	115	125.4 Å²	125.4	70%	0.697	68%	0.684	S	S	*	*	H	α-helix	trans	-73.9	-33.9	-172.3	-179.1	0	0	0	0	112.5	G14	V10-G14 PolarHBondContact O-N 2.73Å; V10-G14 VanDerWaalsContact O-N 3.09Å
11	L	40.9	Very low	42	Very low	128 Å²	128	126.6 Å²	126.6	67%	0.67	68%	0.68	S	S	*	*	H	α-helix	trans	-69.4	-34.4	176.4	-106.1	108.1	0	0	0	112.5	C15	L11-C15 PolarHBondContact O-N 3.06Å; L11-C15 PolarHBondContact O-SG 3.43Å
12	I	46	Very low	42.7	Very low	116 Å²	116	119.4 Å²	119.4	60%	0.595	65%	0.646	S	S	*	*	H	α-helix	trans	-73.3	-42.1	179	-58.8	177.2	0	0	0	109.9	P9 G14 C15 V16	P9-I12 PolarHBondContact O-N 3.16Å; I12-G14 VanDerWaalsContact C-N 3.33Å; I12-G14 PolarHBondContact O-N 3.25Å; I12-C15 PolarHBondContact O-N 3.34Å; I12-V16 WeakPolarHBondContact O-CG2 3.36Å; I12-V16 PolarHBondContact O-N 3.49Å; I12-V16 VanDerWaalsContact O-N 3.1Å
13	A	48.6	Very low	43.9	Very low	68 Å²	68	109.4 Å²	109.4	56%	0.562	62%	0.621	S	S	*	*	H	α-helix	trans	-62.5	-38.2	175.5	0	0	0	0	0	112.6	P9 G17	P9-A13 PolarHBondContact O-N 3.18Å; A13-G17 PolarHBondContact O-N 3.36Å
14	G	43.5	Very low	44.9	Very low	45 Å²	45	110.1 Å²	110.1	46%	0.464	61%	0.607	S	S	.	*	H	α-helix	trans	-66.1	-40.1	175.5	0	0	0	0	0	113.8	V10 I12 G17 L18	V10-G14 PolarHBondContact O-N 2.73Å; V10-G14 VanDerWaalsContact O-N 3.09Å; I12-G14 VanDerWaalsContact C-N 3.33Å; I12-G14 PolarHBondContact O-N 3.25Å; G14-G17 PolarHBondContact O-N 3.13Å; G14-L18 PolarHBondContact O-N 3.25Å; G14-L18 VanDerWaalsContact O-N 3.08Å
15	C	45.7	Very low	45.6	Very low	76 Å²	76	110.5 Å²	110.5	51%	0.514	60%	0.599	S	S	.	*	H	α-helix	trans	-69.4	-37.4	178	-68.5	0	0	0	0	112.5	L11 I12 L18 L19	L11-C15 PolarHBondContact O-N 3.06Å; L11-C15 PolarHBondContact O-SG 3.43Å; I12-C15 PolarHBondContact O-N 3.34Å; C15-L18 PolarHBondContact O-N 3.42Å; C15-L19 WeakPolarHBondContact O-CG 3.22Å; C15-L19 PolarHBondContact O-N 3.39Å; C15-L19 VanDerWaalsContact O-N 3.11Å
16	V	57.7	Low	46.1	Very low	79 Å²	79	110.9 Å²	110.9	48%	0.479	59%	0.591	S	S	.	*	H	α-helix	trans	-68.3	-38.9	175.7	175.6	0	0	0	0	111	I12 L18 L19 L20	I12-V16 WeakPolarHBondContact O-CG2 3.36Å; I12-V16 PolarHBondContact O-N 3.49Å; I12-V16 VanDerWaalsContact O-N 3.1Å; V16-L18 PolarHBondContact O-N 2.95Å; V16-L19 PolarHBondContact O-N 3.45Å; V16-L20 HydrophobicContact CG1-CD1 4.01Å; V16-L20 WeakPolarHBondContact O-CB 3.37Å; V16-L20 WeakPolarHBondContact O-CG 3.49Å; V16-L20 PolarHBondContact O-N 2.99Å
17	G	53.2	Low	46.6	Very low	39 Å²	39	111.5 Å²	111.5	40%	0.402	59%	0.589	S	S	.	*	H	α-helix	trans	-62.4	-39.8	174.2	0	0	0	0	0	113.4	A13 G14 Y21	A13-G17 PolarHBondContact O-N 3.36Å; G14-G17 PolarHBondContact O-N 3.13Å; G17-Y21 WeakPolarHBondContact O-CB 3.47Å; G17-Y21 PolarHBondContact O-N 3.18Å
18	L	49.8	Very low	46.8	Very low	118 Å²	118	106.8 Å²	106.8	62%	0.618	58%	0.575	S	S	*	*	H	α-helix	trans	-69.5	-38.9	178.4	-145.1	89.4	0	0	0	112.3	G14 C15 V16 Y21 L22	G14-L18 PolarHBondContact O-N 3.25Å; G14-L18 VanDerWaalsContact O-N 3.08Å; C15-L18 PolarHBondContact O-N 3.42Å; V16-L18 PolarHBondContact O-N 2.95Å; L18-Y21 PolarHBondContact O-N 3.33Å; L18-L22 WeakPolarHBondContact O-CB 3.34Å; L18-L22 PolarHBondContact O-N 2.99Å
19	L	52.2	Low	47.2	Very low	125 Å²	125	98.6 Å²	98.6	65%	0.654	56%	0.558	S	S	*	*	H	α-helix	trans	-67.9	-37.4	176.3	-74.3	167.4	0	0	0	112.2	C15 V16 G23	C15-L19 WeakPolarHBondContact O-CG 3.22Å; C15-L19 PolarHBondContact O-N 3.39Å; C15-L19 VanDerWaalsContact O-N 3.11Å; V16-L19 PolarHBondContact O-N 3.45Å; L19-G23 PolarHBondContact O-N 3.44Å
20	L	53.2	Low	47.5	Very low	108 Å²	108	101.4 Å²	101.4	57%	0.565	56%	0.564	S	S	*	*	H	α-helix	trans	-67.8	-37.3	173.8	-74	168.7	0	0	0	112	V16 G23 M24	V16-L20 HydrophobicContact CG1-CD1 4.01Å; V16-L20 WeakPolarHBondContact O-CB 3.37Å; V16-L20 WeakPolarHBondContact O-CG 3.49Å; V16-L20 PolarHBondContact O-N 2.99Å; L20-G23 PolarHBondContact O-N 2.93Å; L20-M24 WeakPolarHBondContact O-CG 3.32Å; L20-M24 PolarHBondContact O-N 3.17Å
21	Y	49.3	Very low	47.4	Very low	152 Å²	152	102.1 Å²	102.1	60%	0.596	56%	0.56	S	S	*	*	H	α-helix	trans	-67.3	-43.2	176.2	-166.1	-96.9	0	0	0	112	G17 L18 M24 F25	G17-Y21 WeakPolarHBondContact O-CB 3.47Å; G17-Y21 PolarHBondContact O-N 3.18Å; L18-Y21 PolarHBondContact O-N 3.33Å; Y21-M24 PolarHBondContact O-N 2.86Å; Y21-F25 HydrophobicContact CE1-CD2 4.2Å; Y21-F25 PolarHBondContact O-N 2.96Å
22	L	49.4	Very low	47.3	Very low	94 Å²	94	99 Å²	99	49%	0.492	55%	0.553	S	S	.	*	H	α-helix	trans	-64	-38.9	173.1	-89.2	150.6	0	0	0	112.5	L18 F25 L26	L18-L22 WeakPolarHBondContact O-CB 3.34Å; L18-L22 PolarHBondContact O-N 2.99Å; L22-F25 PolarHBondContact O-N 2.69Å; L22-L26 WeakPolarHBondContact O-CG 3.39Å; L22-L26 PolarHBondContact O-N 2.74Å
23	G	49.9	Very low	47.2	Very low	40 Å²	40	102.9 Å²	102.9	41%	0.412	56%	0.56	S	S	.	*	H	α-helix	trans	-63.8	-39.1	174.5	0	0	0	0	0	113.2	L19 L20 R27	L19-G23 PolarHBondContact O-N 3.44Å; L20-G23 PolarHBondContact O-N 2.93Å; G23-R27 WeakPolarHBondContact O-CB 3.43Å; G23-R27 PolarHBondContact O-N 3.36Å
24	M	48.8	Very low	46.9	Very low	120 Å²	120	108.1 Å²	108.1	59%	0.591	57%	0.573	S	S	*	*	H	α-helix	trans	-69.4	-36.4	174.6	-77.2	-169.4	-90.8	0	0	112.6	L20 Y21 R27 T28	L20-M24 WeakPolarHBondContact O-CG 3.32Å; L20-M24 PolarHBondContact O-N 3.17Å; Y21-M24 PolarHBondContact O-N 2.86Å; M24-R27 PolarHBondContact O-N 2.87Å; M24-T28 PolarHBondContact O-N 3.24Å; M24-T28 PolarHBondContact O-OG1 3Å; M24-T28 VanDerWaalsContact O-OG1 3.07Å
25	F	44.1	Very low	46.9	Very low	137 Å²	137	116.9 Å²	116.9	60%	0.601	59%	0.592	S	S	*	*	H	α-helix	trans	-69.4	-34.8	178.1	-136.7	-90.2	0	0	0	113	Y21 L22 T28 G29	Y21-F25 HydrophobicContact CE1-CD2 4.2Å; Y21-F25 PolarHBondContact O-N 2.96Å; L22-F25 PolarHBondContact O-N 2.69Å; F25-T28 PolarHBondContact O-OG1 3.49Å; F25-G29 PolarHBondContact O-N 3.1Å
26	L	45.8	Very low	47	Very low	122 Å²	122	118.2 Å²	118.2	64%	0.639	60%	0.598	S	S	*	*	H	α-helix	trans	-71.9	-33.1	173.7	-72.2	167.5	0	0	0	111.9	L22 G29 Q30	L22-L26 WeakPolarHBondContact O-CG 3.39Å; L22-L26 PolarHBondContact O-N 2.74Å; L26-G29 PolarHBondContact O-N 2.89Å; L26-Q30 PolarHBondContact O-N 3.29Å; L26-Q30 VanDerWaalsContact O-N 3.13Å
27	R	43.7	Very low	46.2	Very low	180 Å²	180	118.7 Å²	118.7	68%	0.679	62%	0.619	S	S	*	*	H	α-helix	trans	-72.3	-41	178.8	-156.3	175.7	-174.1	177.4	1.6	112.5	G23 M24 G29 Q30 E31	G23-R27 WeakPolarHBondContact O-CB 3.43Å; G23-R27 PolarHBondContact O-N 3.36Å; M24-R27 PolarHBondContact O-N 2.87Å; R27-G29 VanDerWaalsContact C-N 3.31Å; R27-G29 PolarHBondContact O-N 3.48Å; R27-Q30 PolarHBondContact O-N 3.49Å; R27-E31 PolarHBondContact O-N 2.68Å
28	T	47	Very low	45.4	Very low	85 Å²	85	127.5 Å²	127.5	52%	0.521	64%	0.64	S	S	.	*	H	α-helix	trans	-68.6	-30	172.8	48.2	0	0	0	0	112.6	M24 F25 A32	M24-T28 PolarHBondContact O-N 3.24Å; M24-T28 PolarHBondContact O-OG1 3Å; M24-T28 VanDerWaalsContact O-OG1 3.07Å; F25-T28 PolarHBondContact O-OG1 3.49Å; T28-A32 PolarHBondContact O-N 3.1Å
29	G	43.7	Very low	44.9	Very low	43 Å²	43	131.5 Å²	131.5	44%	0.443	66%	0.656	S	S	.	*	H	α-helix	trans	-68.1	-29.9	170.9	0	0	0	0	0	114.2	F25 L26 R27	F25-G29 PolarHBondContact O-N 3.1Å; L26-G29 PolarHBondContact O-N 2.89Å; R27-G29 VanDerWaalsContact C-N 3.31Å; R27-G29 PolarHBondContact O-N 3.48Å
30	Q	41.3	Very low	44.5	Very low	139 Å²	139	132.5 Å²	132.5	65%	0.65	66%	0.661	S	S	*	*	H	α-helix	trans	-76.6	-38.8	175	-94.9	-179.2	-47.4	0	0	112.8	L26 R27 A32 R33	L26-Q30 PolarHBondContact O-N 3.29Å; L26-Q30 VanDerWaalsContact O-N 3.13Å; R27-Q30 PolarHBondContact O-N 3.49Å; Q30-A32 VanDerWaalsContact C-N 3.3Å; Q30-A32 PolarHBondContact O-N 3.4Å; Q30-R33 WeakPolarHBondContact O-CB 3.31Å; Q30-R33 PolarHBondContact O-N 2.94Å; Q30-R33 VanDerWaalsContact O-N 3.08Å
31	E	40.8	Very low	43.9	Very low	130 Å²	130	135 Å²	135	61%	0.607	68%	0.675	S	S	*	*	H	α-helix	trans	-67.7	-28	176.5	-74.5	177.2	175.2	0	0	112.9	R27 R33	R27-E31 PolarHBondContact O-N 2.68Å; E31-R33 VanDerWaalsContact C-N 3.29Å; E31-R33 PolarHBondContact O-N 3.49Å
32	A	40.6	Very low	43.7	Very low	64 Å²	64	132.8 Å²	132.8	53%	0.529	68%	0.679	S	S	.	*	T	Hydrogen-bonded Turn	trans	-72.8	-21.1	172	0	0	0	0	0	113.3	T28 Q30	T28-A32 PolarHBondContact O-N 3.1Å; Q30-A32 VanDerWaalsContact C-N 3.3Å; Q30-A32 PolarHBondContact O-N 3.4Å
33	R	42.8	Very low	43.5	Very low	196 Å²	196	133.2 Å²	133.2	74%	0.74	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.2	-19.4	-175.4	-144.7	173.3	-175.4	177.9	-0.4	113.4	Q30 E31	Q30-R33 WeakPolarHBondContact O-CB 3.31Å; Q30-R33 PolarHBondContact O-N 2.94Å; Q30-R33 VanDerWaalsContact O-N 3.08Å; E31-R33 VanDerWaalsContact C-N 3.29Å; E31-R33 PolarHBondContact O-N 3.49Å
34	E	41.7	Very low	43.5	Very low	179 Å²	179	135.9 Å²	135.9	84%	0.836	69%	0.692	S	S	*	*	S	Bend	trans	-82.3	-10.9	175.5	-82.7	-176.6	160.9	0	0	114.2
35	R	44.7	Very low	43.4	Very low	229 Å²	229	135.1 Å²	135.1	86%	0.864	69%	0.69	S	S	*	*	S	Bend	trans	-97.9	-9.2	-178.8	-79.7	-174.9	177.7	-176.8	0.8	115.9
36	T	46.6	Very low	43.5	Very low	103 Å²	103	138.2 Å²	138.2	63%	0.632	70%	0.698	S	S	*	*	S	Bend	trans	-134.2	91.6	-179.7	45.8	0	0	0	0	109.7	R38	T36-R38 VanDerWaalsContact C-N 3.28Å; T36-R38 PolarHBondContact O-N 3.33Å
37	G	40.9	Very low	43.6	Very low	90 Å²	90	135 Å²	135	93%	0.928	69%	0.689	S	S	*	*			trans	-63.2	80.4	179.5	0	0	0	0	0	113
38	R	38.1	Very low	43.9	Very low	223 Å²	223	131 Å²	131	84%	0.842	68%	0.684	S	S	*	*			trans	-128.2	112.4	167.3	-81.8	-174	179.4	175.6	0.5	109.7	T36 L40	T36-R38 VanDerWaalsContact C-N 3.28Å; T36-R38 PolarHBondContact O-N 3.33Å; R38-L40 PolarHBondContact O-N 3.43Å
39	Q	39.1	Very low	44.1	Very low	202 Å²	202	135.3 Å²	135.3	94%	0.944	69%	0.691	S	S	*	*			trans	-79.2	113.7	172.6	-158.9	164.1	-0.4	0	0	107.9
40	L	43.7	Very low	44.5	Very low	147 Å²	147	136.9 Å²	136.9	77%	0.77	70%	0.695	S	S	*	*			trans	-122.6	120.4	168.5	-90.8	156.4	0	0	0	106.6	R38	R38-L40 PolarHBondContact O-N 3.43Å
41	D	40.3	Very low	45	Very low	160 Å²	160	137.3 Å²	137.3	86%	0.856	70%	0.695	S	S	*	*			trans	-58.7	130.9	178.7	-120.9	-18.8	0	0	0	110.4	D43	D41-D43 PolarHBondContact O-N 3.13Å
42	P	45.1	Very low	45.8	Very low	106 Å²	106	133.8 Å²	133.8	69%	0.688	69%	0.685	S	S	*	*			trans	-85.1	106.2	178.4	31.1	-27	0	0	0	109.9	P44	P42-P44 VanDerWaalsContact O-CD 3.22Å; P42-P44 WeakPolarHBondContact O-CD 3.26Å
43	D	46	Very low	46.5	Very low	102 Å²	102	135.1 Å²	135.1	55%	0.545	68%	0.683	S	S	.	*			trans	-64.5	111.3	166.5	179.2	4.5	0	0	0	109.9	D41 D45 R46	D41-D43 PolarHBondContact O-N 3.13Å; D43-D45 PolarHBondContact O-N 2.98Å; D43-D45 PolarHBondContact OD1-N 2.79Å; D43-D45 VanDerWaalsContact OD1-N 3.16Å; D43-R46 PolarHBondContact O-N 2.99Å
44	P	49.3	Very low	47	Very low	96 Å²	96	130.7 Å²	130.7	62%	0.623	67%	0.673	S	S	*	*	H	α-helix	trans	-63	-26.7	-176.2	-18.3	31.2	0	0	0	113.1	P42 R46 V48	P42-P44 VanDerWaalsContact O-CD 3.22Å; P42-P44 WeakPolarHBondContact O-CD 3.26Å; P44-R46 VanDerWaalsContact C-N 3.35Å; P44-R46 PolarHBondContact O-N 3.37Å; P44-V48 WeakPolarHBondContact O-CG2 3.4Å; P44-V48 PolarHBondContact O-N 3.26Å
45	D	46.5	Very low	47.9	Very low	105 Å²	105	128.2 Å²	128.2	56%	0.561	66%	0.662	S	S	*	*	H	α-helix	trans	-75.1	-24.7	-172.2	-79.4	-20.7	0	0	0	112.9	D43 R49	D43-D45 PolarHBondContact O-N 2.98Å; D43-D45 PolarHBondContact OD1-N 2.79Å; D43-D45 VanDerWaalsContact OD1-N 3.16Å; D45-R49 WeakPolarHBondContact O-CG 3.25Å; D45-R49 PolarHBondContact O-N 2.99Å
46	R	46.2	Very low	48.7	Very low	202 Å²	202	125.5 Å²	125.5	76%	0.762	65%	0.652	S	S	*	*	H	α-helix	trans	-77	-35.7	179.4	-162.5	176.2	-172.8	179.7	2.6	112.7	D43 P44 S50	D43-R46 PolarHBondContact O-N 2.99Å; P44-R46 VanDerWaalsContact C-N 3.35Å; P44-R46 PolarHBondContact O-N 3.37Å; R46-S50 WeakPolarHBondContact O-CB 3.35Å; R46-S50 PolarHBondContact O-N 3.1Å; R46-S50 VanDerWaalsContact O-N 3.13Å
47	A	47.1	Very low	49.3	Very low	53 Å²	53	123.9 Å²	123.9	44%	0.438	65%	0.645	S	S	.	*	H	α-helix	trans	-68.9	-42.8	174.7	0	0	0	0	0	111	R49 S50 F51	A47-R49 PolarHBondContact O-N 3.02Å; A47-S50 PolarHBondContact O-N 2.86Å; A47-F51 WeakPolarHBondContact O-CD2 3.35Å; A47-F51 PolarHBondContact O-N 3.5Å
48	V	51.7	Low	50.2	Low	97 Å²	97	124.4 Å²	124.4	59%	0.588	63%	0.625	S	S	*	*	H	α-helix	trans	-62.6	-41.1	178.1	175.7	0	0	0	0	111.6	P44 F51 S52	P44-V48 WeakPolarHBondContact O-CG2 3.4Å; P44-V48 PolarHBondContact O-N 3.26Å; V48-F51 PolarHBondContact O-N 3.4Å; V48-S52 WeakPolarHBondContact O-CB 3.45Å; V48-S52 PolarHBondContact O-N 2.54Å
49	R	49.2	Very low	51.4	Low	175 Å²	175	118.4 Å²	118.4	66%	0.66	61%	0.61	S	S	*	*	H	α-helix	trans	-63.3	-45.3	174	-73.5	179.2	-171.2	-172.5	5	112.3	D45 A47 F51 S52 D53	D45-R49 WeakPolarHBondContact O-CG 3.25Å; D45-R49 PolarHBondContact O-N 2.99Å; A47-R49 PolarHBondContact O-N 3.02Å; R49-F51 VanDerWaalsContact C-N 3.33Å; R49-F51 PolarHBondContact O-N 3.04Å; R49-S52 PolarHBondContact O-N 3.49Å; R49-S52 VanDerWaalsContact O-N 3.17Å; R49-S52 PolarHBondContact O-OG 3.49Å; R49-D53 PolarHBondContact O-N 2.97Å
50	S	52.8	Low	52.6	Low	76 Å²	76	113.2 Å²	113.2	53%	0.531	59%	0.589	S	S	.	*	H	α-helix	trans	-61.5	-37.2	177.3	-178.1	0	0	0	0	113.2	R46 A47 L54	R46-S50 WeakPolarHBondContact O-CB 3.35Å; R46-S50 PolarHBondContact O-N 3.1Å; R46-S50 VanDerWaalsContact O-N 3.13Å; A47-S50 PolarHBondContact O-N 2.86Å; S50-L54 WeakPolarHBondContact O-CB 3.31Å; S50-L54 PolarHBondContact O-N 3.14Å
51	F	51.8	Low	53.2	Low	148 Å²	148	111.2 Å²	111.2	65%	0.649	58%	0.579	S	S	*	*	H	α-helix	trans	-70.6	-39.8	174.5	-90.5	-80.7	0	0	0	111.6	A47 V48 R49 D53 L54 E55	A47-F51 WeakPolarHBondContact O-CD2 3.35Å; A47-F51 PolarHBondContact O-N 3.5Å; V48-F51 PolarHBondContact O-N 3.4Å; R49-F51 VanDerWaalsContact C-N 3.33Å; R49-F51 PolarHBondContact O-N 3.04Å; F51-D53 VanDerWaalsContact C-N 3.34Å; F51-D53 PolarHBondContact O-N 3.4Å; F51-L54 PolarHBondContact O-N 3.49Å; F51-E55 VanDerWaalsContact O-CB 3.31Å; F51-E55 WeakPolarHBondContact O-CB 2.98Å; F51-E55 PolarHBondContact O-N 2.86Å
52	S	58.7	Low	54.1	Low	57 Å²	57	106.1 Å²	106.1	40%	0.399	55%	0.553	S	S	.	*	H	α-helix	trans	-64.4	-36	177.6	77.5	0	0	0	0	113.1	V48 R49 R56	V48-S52 WeakPolarHBondContact O-CB 3.45Å; V48-S52 PolarHBondContact O-N 2.54Å; R49-S52 PolarHBondContact O-N 3.49Å; R49-S52 VanDerWaalsContact O-N 3.17Å; R49-S52 PolarHBondContact O-OG 3.49Å; S52-R56 WeakPolarHBondContact O-CB 3.38Å; S52-R56 PolarHBondContact O-N 2.68Å
53	D	54.2	Low	55	Low	91 Å²	91	108.5 Å²	108.5	49%	0.487	55%	0.553	S	S	.	*	H	α-helix	trans	-74.4	-35.3	177.2	-73.5	-33.9	0	0	0	112.2	R49 F51 S57	R49-D53 PolarHBondContact O-N 2.97Å; F51-D53 VanDerWaalsContact C-N 3.34Å; F51-D53 PolarHBondContact O-N 3.4Å; D53-S57 WeakPolarHBondContact O-CB 3.39Å; D53-S57 PolarHBondContact O-N 3.21Å; D53-S57 PolarHBondContact O-OG 3.46Å
54	L	54.2	Low	55.7	Low	103 Å²	103	108.5 Å²	108.5	54%	0.539	55%	0.552	S	S	.	*	H	α-helix	trans	-66.9	-42.9	173	-154.5	91.6	0	0	0	110.9	S50 F51 S57 L58	S50-L54 WeakPolarHBondContact O-CB 3.31Å; S50-L54 PolarHBondContact O-N 3.14Å; F51-L54 PolarHBondContact O-N 3.49Å; L54-S57 PolarHBondContact O-N 3.49Å; L54-L58 HydrophobicContact CD2-CD1 4.21Å; L54-L58 HydrophobicContact CG-CD1 4.36Å; L54-L58 WeakPolarHBondContact O-CB 3.43Å; L54-L58 PolarHBondContact O-N 2.85Å
55	E	59.9	Low	55.9	Low	127 Å²	127	108.9 Å²	108.9	59%	0.593	55%	0.548	S	S	*	.	H	α-helix	trans	-64.4	-40.8	176.4	-169.7	175.5	-170.4	0	0	111.3	F51 S57 L58 N59	F51-E55 VanDerWaalsContact O-CB 3.31Å; F51-E55 WeakPolarHBondContact O-CB 2.98Å; F51-E55 PolarHBondContact O-N 2.86Å; E55-S57 VanDerWaalsContact C-N 3.34Å; E55-S57 PolarHBondContact O-N 3.12Å; E55-L58 PolarHBondContact O-N 2.93Å; E55-N59 VanDerWaalsContact O-CB 3.26Å; E55-N59 WeakPolarHBondContact O-CB 3.26Å; E55-N59 VanDerWaalsContact O-CG 3.23Å; E55-N59 PolarHBondContact O-N 3.37Å; E55-N59 PolarHBondContact O-ND2 2.67Å; E55-N59 VanDerWaalsContact O-ND2 3.1Å
56	R	61.3	Low	56.6	Low	173 Å²	173	111.4 Å²	111.4	65%	0.653	55%	0.549	S	S	*	.	H	α-helix	trans	-63.7	-38.9	173.4	-174.2	177.9	-99.2	-175	-5.7	112	S52 N60	S52-R56 WeakPolarHBondContact O-CB 3.38Å; S52-R56 PolarHBondContact O-N 2.68Å; R56-N60 PolarHBondContact O-N 3.39Å
57	S	59.2	Low	57	Low	69 Å²	69	103 Å²	103	48%	0.483	53%	0.525	S	S	.	.	H	α-helix	trans	-70.4	-42.6	178	-61.7	0	0	0	0	112.4	D53 L54 E55 N60 L61	D53-S57 WeakPolarHBondContact O-CB 3.39Å; D53-S57 PolarHBondContact O-N 3.21Å; D53-S57 PolarHBondContact O-OG 3.46Å; L54-S57 PolarHBondContact O-N 3.49Å; E55-S57 VanDerWaalsContact C-N 3.34Å; E55-S57 PolarHBondContact O-N 3.12Å; S57-N60 PolarHBondContact O-N 2.68Å; S57-L61 PolarHBondContact O-N 3.48Å
58	L	59.7	Low	57.2	Low	100 Å²	100	106.8 Å²	106.8	52%	0.524	53%	0.532	S	S	.	.	H	α-helix	trans	-62.2	-41.7	172.7	-91.1	151.5	0	0	0	111.7	L54 E55 N60 L61 T62	L54-L58 HydrophobicContact CD2-CD1 4.21Å; L54-L58 HydrophobicContact CG-CD1 4.36Å; L54-L58 WeakPolarHBondContact O-CB 3.43Å; L54-L58 PolarHBondContact O-N 2.85Å; E55-L58 PolarHBondContact O-N 2.93Å; L58-N60 PolarHBondContact O-N 2.87Å; L58-L61 PolarHBondContact O-N 3.26Å; L58-T62 WeakPolarHBondContact O-CB 3.21Å; L58-T62 PolarHBondContact O-N 3.33Å; L58-T62 PolarHBondContact O-OG1 3.18Å
59	N	64.2	Low	57.4	Low	97 Å²	97	107.8 Å²	107.8	52%	0.519	53%	0.531	S	S	.	.	H	α-helix	trans	-64.7	-38.3	175.5	-78	-34	0	0	0	112.2	E55 T62 K63	E55-N59 VanDerWaalsContact O-CB 3.26Å; E55-N59 WeakPolarHBondContact O-CB 3.26Å; E55-N59 VanDerWaalsContact O-CG 3.23Å; E55-N59 PolarHBondContact O-N 3.37Å; E55-N59 PolarHBondContact O-ND2 2.67Å; E55-N59 VanDerWaalsContact O-ND2 3.1Å; N59-T62 PolarHBondContact O-N 2.93Å; N59-K63 WeakPolarHBondContact O-CB 3.17Å; N59-K63 PolarHBondContact O-N 3.38Å
60	N	63.8	Low	57.8	Low	93 Å²	93	108.2 Å²	108.2	50%	0.497	53%	0.532	S	S	.	.	H	α-helix	trans	-66.3	-44.1	173.6	-85	-18	0	0	0	112.6	R56 S57 L58 T62 K63 I64	R56-N60 PolarHBondContact O-N 3.39Å; S57-N60 PolarHBondContact O-N 2.68Å; L58-N60 PolarHBondContact O-N 2.87Å; N60-T62 VanDerWaalsContact C-N 3.33Å; N60-T62 PolarHBondContact O-N 3.45Å; N60-K63 WeakPolarHBondContact O-CB 3.33Å; N60-K63 PolarHBondContact O-N 3.47Å; N60-I64 WeakPolarHBondContact O-CG1 3.48Å; N60-I64 PolarHBondContact O-N 3.02Å
61	L	56.4	Low	58	Low	106 Å²	106	113.2 Å²	113.2	56%	0.555	54%	0.539	S	S	*	.	H	α-helix	trans	-61.5	-41.8	175.3	-108.9	147.8	0	0	0	111.7	S57 L58 K63 I64 L65	S57-L61 PolarHBondContact O-N 3.48Å; L58-L61 PolarHBondContact O-N 3.26Å; L61-K63 VanDerWaalsContact C-N 3.31Å; L61-K63 PolarHBondContact O-N 2.86Å; L61-I64 PolarHBondContact O-N 3.22Å; L61-L65 WeakPolarHBondContact O-CB 3.43Å; L61-L65 WeakPolarHBondContact O-CG 3.43Å; L61-L65 PolarHBondContact O-N 2.9Å
62	T	59.2	Low	58	Low	52 Å²	52	112.2 Å²	112.2	32%	0.319	54%	0.537	S	S	.	.	H	α-helix	trans	-65.1	-36.7	175.8	-50.9	0	0	0	0	111.3	L58 N59 N60 R66	L58-T62 WeakPolarHBondContact O-CB 3.21Å; L58-T62 PolarHBondContact O-N 3.33Å; L58-T62 PolarHBondContact O-OG1 3.18Å; N59-T62 PolarHBondContact O-N 2.93Å; N60-T62 VanDerWaalsContact C-N 3.33Å; N60-T62 PolarHBondContact O-N 3.45Å; T62-R66 WeakPolarHBondContact O-CB 3.31Å; T62-R66 VanDerWaalsContact O-CG 3.29Å; T62-R66 WeakPolarHBondContact O-CG 3.31Å; T62-R66 PolarHBondContact O-N 3.24Å
63	K	63.1	Low	58.2	Low	156 Å²	156	114.2 Å²	114.2	68%	0.678	54%	0.543	S	S	*	.	H	α-helix	trans	-68.1	-38.4	175	-166.8	178.3	-177.6	-179.3	0	112.1	N59 N60 L61 G67	N59-K63 WeakPolarHBondContact O-CB 3.17Å; N59-K63 PolarHBondContact O-N 3.38Å; N60-K63 WeakPolarHBondContact O-CB 3.33Å; N60-K63 PolarHBondContact O-N 3.47Å; L61-K63 VanDerWaalsContact C-N 3.31Å; L61-K63 PolarHBondContact O-N 2.86Å; K63-G67 PolarHBondContact O-N 2.88Å
64	I	61.3	Low	58.7	Low	102 Å²	102	114 Å²	114	52%	0.523	55%	0.545	S	S	.	.	H	α-helix	trans	-67.8	-45.8	175.4	-68.8	165.9	0	0	0	110.6	N60 L61 G67 F68	N60-I64 WeakPolarHBondContact O-CG1 3.48Å; N60-I64 PolarHBondContact O-N 3.02Å; L61-I64 PolarHBondContact O-N 3.22Å; I64-G67 CarbonylContact O-C 3.51Å; I64-G67 WeakPolarHBondContact O-CA 3.45Å; I64-G67 PolarHBondContact O-N 3.36Å; I64-F68 HydrophobicContact CG2-CD2 3.99Å; I64-F68 HydrophobicContact CG2-CE2 4.15Å; I64-F68 PolarHBondContact O-N 3.36Å
65	L	54.3	Low	58.5	Low	104 Å²	104	114.5 Å²	114.5	55%	0.545	55%	0.546	S	S	.	.	H	α-helix	trans	-62.1	-45.3	177.5	-76.3	165.6	0	0	0	111.7	L61 G67 F68 E69	L61-L65 WeakPolarHBondContact O-CB 3.43Å; L61-L65 WeakPolarHBondContact O-CG 3.43Å; L61-L65 PolarHBondContact O-N 2.9Å; L65-G67 PolarHBondContact O-N 3.31Å; L65-F68 PolarHBondContact O-N 3.49Å; L65-F68 VanDerWaalsContact O-N 3.08Å; L65-E69 PolarHBondContact O-N 3.1Å
66	R	59.7	Low	58.2	Low	158 Å²	158	113.6 Å²	113.6	60%	0.596	54%	0.542	S	S	*	.	H	α-helix	trans	-61.8	-31	171.5	-73.7	-178.6	-168.7	178.7	5.9	112.5	T62 R70	T62-R66 WeakPolarHBondContact O-CB 3.31Å; T62-R66 VanDerWaalsContact O-CG 3.29Å; T62-R66 WeakPolarHBondContact O-CG 3.31Å; T62-R66 PolarHBondContact O-N 3.24Å; R66-R70 WeakPolarHBondContact O-CB 3.42Å; R66-R70 VanDerWaalsContact O-CG 3.29Å; R66-R70 WeakPolarHBondContact O-CG 3.32Å; R66-R70 PolarHBondContact O-N 3.47Å
67	G	55.5	Low	58.4	Low	25 Å²	25	111.6 Å²	111.6	26%	0.258	54%	0.538	S	S	.	.	H	α-helix	trans	-68.4	-37	173.2	0	0	0	0	0	112.9	K63 I64 L65 R71	K63-G67 PolarHBondContact O-N 2.88Å; I64-G67 CarbonylContact O-C 3.51Å; I64-G67 WeakPolarHBondContact O-CA 3.45Å; I64-G67 PolarHBondContact O-N 3.36Å; L65-G67 PolarHBondContact O-N 3.31Å; G67-R71 WeakPolarHBondContact O-CG 3.32Å; G67-R71 PolarHBondContact O-N 3.36Å; G67-R71 VanDerWaalsContact O-N 3.16Å
68	F	51.7	Low	58.3	Low	133 Å²	133	112.5 Å²	112.5	58%	0.583	54%	0.536	S	S	*	.	H	α-helix	trans	-71.2	-45.2	173.8	-95.2	-83	0	0	0	112	I64 L65 R70 R71 Q72	I64-F68 HydrophobicContact CG2-CD2 3.99Å; I64-F68 HydrophobicContact CG2-CE2 4.15Å; I64-F68 PolarHBondContact O-N 3.36Å; L65-F68 PolarHBondContact O-N 3.49Å; L65-F68 VanDerWaalsContact O-N 3.08Å; F68-R70 VanDerWaalsContact C-N 3.34Å; F68-R70 PolarHBondContact O-N 2.87Å; F68-R71 PolarHBondContact O-N 3.39Å; F68-R71 VanDerWaalsContact O-N 3.11Å; F68-Q72 WeakPolarHBondContact O-CB 3.3Å; F68-Q72 PolarHBondContact O-N 3.06Å
69	E	54.6	Low	57.7	Low	119 Å²	119	112.8 Å²	112.8	56%	0.556	54%	0.538	S	S	*	.	H	α-helix	trans	-58.3	-45.4	174.7	-74.1	177.8	158.8	0	0	110.9	L65 R71 Q72 D73	L65-E69 PolarHBondContact O-N 3.1Å; E69-R71 VanDerWaalsContact C-N 3.33Å; E69-R71 PolarHBondContact O-N 2.87Å; E69-Q72 PolarHBondContact O-N 3.06Å; E69-Q72 VanDerWaalsContact O-N 3.16Å; E69-D73 WeakPolarHBondContact O-CB 3.36Å; E69-D73 PolarHBondContact O-N 2.94Å
70	R	59.3	Low	57.7	Low	184 Å²	184	113.4 Å²	113.4	69%	0.694	54%	0.537	S	S	*	.	H	α-helix	trans	-60.8	-38.5	174.4	-78	179.5	-171.7	-171.5	1.7	113.2	R66 F68 V74	R66-R70 WeakPolarHBondContact O-CB 3.42Å; R66-R70 VanDerWaalsContact O-CG 3.29Å; R66-R70 WeakPolarHBondContact O-CG 3.32Å; R66-R70 PolarHBondContact O-N 3.47Å; F68-R70 VanDerWaalsContact C-N 3.34Å; F68-R70 PolarHBondContact O-N 2.87Å; R70-V74 WeakPolarHBondContact O-CB 3.37Å; R70-V74 WeakPolarHBondContact O-CG2 3.15Å; R70-V74 PolarHBondContact O-N 2.86Å
71	R	56.8	Low	57.7	Low	180 Å²	180	114.2 Å²	114.2	68%	0.679	54%	0.538	S	S	*	.	H	α-helix	trans	-70	-35.5	176.5	-73.4	-179	-145.7	-160.6	5.1	111.7	G67 F68 E69 M75	G67-R71 WeakPolarHBondContact O-CG 3.32Å; G67-R71 PolarHBondContact O-N 3.36Å; G67-R71 VanDerWaalsContact O-N 3.16Å; F68-R71 PolarHBondContact O-N 3.39Å; F68-R71 VanDerWaalsContact O-N 3.11Å; E69-R71 VanDerWaalsContact C-N 3.33Å; E69-R71 PolarHBondContact O-N 2.87Å; R71-M75 VanDerWaalsContact O-CB 3.31Å; R71-M75 WeakPolarHBondContact O-CB 3.42Å; R71-M75 PolarHBondContact O-N 2.87Å
72	Q	50.6	Low	57.4	Low	127 Å²	127	113 Å²	113	59%	0.593	53%	0.533	S	S	*	.	H	α-helix	trans	-69.5	-40.9	176.4	-169.5	174.6	-12.3	0	0	111.2	F68 E69 M75 Q76	F68-Q72 WeakPolarHBondContact O-CB 3.3Å; F68-Q72 PolarHBondContact O-N 3.06Å; E69-Q72 PolarHBondContact O-N 3.06Å; E69-Q72 VanDerWaalsContact O-N 3.16Å; Q72-M75 PolarHBondContact O-N 3.11Å; Q72-Q76 WeakPolarHBondContact O-CB 3.34Å; Q72-Q76 PolarHBondContact O-N 3.08Å
73	D	62.4	Low	57.3	Low	100 Å²	100	116.9 Å²	116.9	54%	0.535	54%	0.541	S	S	.	.	H	α-helix	trans	-63.6	-43.5	173.1	-73.5	-16.4	0	0	0	111.3	E69 Q76 K77	E69-D73 WeakPolarHBondContact O-CB 3.36Å; E69-D73 PolarHBondContact O-N 2.94Å; D73-Q76 PolarHBondContact O-N 3.3Å; D73-K77 VanDerWaalsContact O-CB 3.28Å; D73-K77 WeakPolarHBondContact O-CB 3.48Å; D73-K77 PolarHBondContact O-N 3.01Å
74	V	65.6	Low	57.3	Low	86 Å²	86	113.1 Å²	113.1	52%	0.521	53%	0.529	S	S	.	.	H	α-helix	trans	-63.4	-41.9	174.8	169.6	0	0	0	0	111	R70 K77 I78	R70-V74 WeakPolarHBondContact O-CB 3.37Å; R70-V74 WeakPolarHBondContact O-CG2 3.15Å; R70-V74 PolarHBondContact O-N 2.86Å; V74-K77 PolarHBondContact O-N 3.16Å; V74-I78 HydrophobicContact CG1-CD1 3.83Å; V74-I78 HydrophobicContact CG1-CG1 4.44Å; V74-I78 VanDerWaalsContact O-CG1 3.25Å; V74-I78 WeakPolarHBondContact O-CG1 3.35Å; V74-I78 PolarHBondContact O-N 3.05Å
75	M	49	Very low	57.1	Low	113 Å²	113	111.3 Å²	111.3	56%	0.557	53%	0.525	S	S	*	.	H	α-helix	trans	-66.5	-40.6	177.6	-165.5	67.8	69.3	0	0	111.9	R71 Q72 K77 I78 L79	R71-M75 VanDerWaalsContact O-CB 3.31Å; R71-M75 WeakPolarHBondContact O-CB 3.42Å; R71-M75 PolarHBondContact O-N 2.87Å; Q72-M75 PolarHBondContact O-N 3.11Å; M75-K77 VanDerWaalsContact C-N 3.32Å; M75-I78 PolarHBondContact O-N 2.04Å; M75-L79 HydrophobicContact CG-CD1 4.41Å; M75-L79 WeakPolarHBondContact O-CB 3.38Å; M75-L79 VanDerWaalsContact O-CG 3.28Å; M75-L79 WeakPolarHBondContact O-CG 3.22Å; M75-L79 PolarHBondContact O-N 3.44Å
76	Q	54.9	Low	56.9	Low	109 Å²	109	112 Å²	112	51%	0.509	53%	0.526	S	S	.	.	H	α-helix	trans	-64	-39.4	172.9	-90.6	-172.5	-48.2	0	0	111.7	Q72 D73 L79 E80	Q72-Q76 WeakPolarHBondContact O-CB 3.34Å; Q72-Q76 PolarHBondContact O-N 3.08Å; D73-Q76 PolarHBondContact O-N 3.3Å; Q76-L79 PolarHBondContact O-N 3.28Å; Q76-E80 WeakPolarHBondContact O-CB 3.35Å; Q76-E80 WeakPolarHBondContact O-CG 3Å; Q76-E80 PolarHBondContact O-N 3.43Å
77	K	66	Low	57	Low	130 Å²	130	112 Å²	112	57%	0.565	53%	0.525	S	S	*	.	H	α-helix	trans	-66.8	-39.6	177.1	-154.5	176.3	-176.4	-175.1	0	112	D73 V74 M75 E80 E81	D73-K77 VanDerWaalsContact O-CB 3.28Å; D73-K77 WeakPolarHBondContact O-CB 3.48Å; D73-K77 PolarHBondContact O-N 3.01Å; V74-K77 PolarHBondContact O-N 3.16Å; M75-K77 VanDerWaalsContact C-N 3.32Å; K77-E80 PolarHBondContact O-N 3.15Å; K77-E81 VanDerWaalsContact O-CB 3.28Å; K77-E81 WeakPolarHBondContact O-CB 3.42Å; K77-E81 VanDerWaalsContact O-CG 3.23Å; K77-E81 WeakPolarHBondContact O-CG 3.33Å; K77-E81 PolarHBondContact O-N 3.46Å
78	I	56.4	Low	57.3	Low	88 Å²	88	117.6 Å²	117.6	45%	0.451	54%	0.543	S	S	.	.	H	α-helix	trans	-62.9	-42.1	172	-69.5	165.2	0	0	0	110.8	V74 M75 E81 D82	V74-I78 HydrophobicContact CG1-CD1 3.83Å; V74-I78 HydrophobicContact CG1-CG1 4.44Å; V74-I78 VanDerWaalsContact O-CG1 3.25Å; V74-I78 WeakPolarHBondContact O-CG1 3.35Å; V74-I78 PolarHBondContact O-N 3.05Å; M75-I78 PolarHBondContact O-N 2.04Å; I78-E81 PolarHBondContact O-N 3.12Å; I78-D82 WeakPolarHBondContact O-CB 3.29Å; I78-D82 PolarHBondContact O-N 3.37Å
79	L	46.4	Very low	57.5	Low	107 Å²	107	115.5 Å²	115.5	56%	0.56	54%	0.54	S	S	*	.	H	α-helix	trans	-67.8	-35.7	177.1	-74.2	166.3	0	0	0	112.5	M75 Q76 R83	M75-L79 HydrophobicContact CG-CD1 4.41Å; M75-L79 WeakPolarHBondContact O-CB 3.38Å; M75-L79 VanDerWaalsContact O-CG 3.28Å; M75-L79 WeakPolarHBondContact O-CG 3.22Å; M75-L79 PolarHBondContact O-N 3.44Å; Q76-L79 PolarHBondContact O-N 3.28Å; L79-R83 VanDerWaalsContact O-CB 3.31Å; L79-R83 WeakPolarHBondContact O-CB 3.2Å; L79-R83 PolarHBondContact O-N 3.42Å
80	E	64.4	Low	57.4	Low	109 Å²	109	112 Å²	112	51%	0.509	53%	0.532	S	S	.	.	H	α-helix	trans	-71.2	-40.4	173.2	-76.7	-173.8	155.4	0	0	111.7	Q76 K77 R83 D84	Q76-E80 WeakPolarHBondContact O-CB 3.35Å; Q76-E80 WeakPolarHBondContact O-CG 3Å; Q76-E80 PolarHBondContact O-N 3.43Å; K77-E80 PolarHBondContact O-N 3.15Å; E80-R83 PolarHBondContact O-N 3Å; E80-D84 WeakPolarHBondContact O-CB 3.39Å; E80-D84 PolarHBondContact O-N 3.35Å
81	E	64.6	Low	57.4	Low	110 Å²	110	107.8 Å²	107.8	51%	0.514	52%	0.523	S	S	.	.	H	α-helix	trans	-65.3	-37.3	174.3	-76	171.2	-174.3	0	0	112	K77 I78 S85	K77-E81 VanDerWaalsContact O-CB 3.28Å; K77-E81 WeakPolarHBondContact O-CB 3.42Å; K77-E81 VanDerWaalsContact O-CG 3.23Å; K77-E81 WeakPolarHBondContact O-CG 3.33Å; K77-E81 PolarHBondContact O-N 3.46Å; I78-E81 PolarHBondContact O-N 3.12Å; E81-S85 VanDerWaalsContact O-CB 3.23Å; E81-S85 WeakPolarHBondContact O-CB 3.29Å; E81-S85 PolarHBondContact O-N 2.82Å; E81-S85 PolarHBondContact O-OG 3.16Å
82	D	50.2	Low	57.6	Low	82 Å²	82	103.6 Å²	103.6	44%	0.439	52%	0.518	S	S	.	.	H	α-helix	trans	-68.3	-42.8	173.3	-172.8	52.2	0	0	0	111.1	I78 D84 S85 Q86	I78-D82 WeakPolarHBondContact O-CB 3.29Å; I78-D82 PolarHBondContact O-N 3.37Å; D82-D84 PolarHBondContact O-N 3.36Å; D82-S85 PolarHBondContact O-N 2.95Å; D82-Q86 WeakPolarHBondContact O-CB 3.46Å; D82-Q86 VanDerWaalsContact O-CG 3.31Å; D82-Q86 WeakPolarHBondContact O-CG 3.25Å; D82-Q86 PolarHBondContact O-N 2.89Å; D82-Q86 PolarHBondContact OD2-NE2 3.32Å
83	R	57	Low	57.5	Low	133 Å²	133	102.5 Å²	102.5	50%	0.502	52%	0.515	S	S	.	.	H	α-helix	trans	-65.4	-39	175.7	-165.4	-178.7	73.2	-169.3	-4.2	112.3	L79 E80 Q86 R87	L79-R83 VanDerWaalsContact O-CB 3.31Å; L79-R83 WeakPolarHBondContact O-CB 3.2Å; L79-R83 PolarHBondContact O-N 3.42Å; E80-R83 PolarHBondContact O-N 3Å; R83-Q86 PolarHBondContact O-N 2.8Å; R83-R87 WeakPolarHBondContact O-CB 3.21Å; R83-R87 PolarHBondContact O-N 3.35Å
84	D	62.7	Low	57.1	Low	77 Å²	77	103.2 Å²	103.2	41%	0.412	52%	0.515	S	S	.	.	H	α-helix	trans	-72.9	-31.6	175.6	-81.2	-2.4	0	0	0	111.7	E80 D82 R87 K88	E80-D84 WeakPolarHBondContact O-CB 3.39Å; E80-D84 PolarHBondContact O-N 3.35Å; D82-D84 PolarHBondContact O-N 3.36Å; D84-R87 PolarHBondContact O-N 3.41Å; D84-K88 WeakPolarHBondContact O-CB 3.47Å; D84-K88 WeakPolarHBondContact O-CG 3.04Å; D84-K88 PolarHBondContact O-N 2.86Å
85	S	57.2	Low	56.5	Low	63 Å²	63	104.7 Å²	104.7	44%	0.441	52%	0.517	S	S	.	.	H	α-helix	trans	-67.4	-43	170.9	-62.8	0	0	0	0	111.2	E81 D82 R87 K88 V89	E81-S85 VanDerWaalsContact O-CB 3.23Å; E81-S85 WeakPolarHBondContact O-CB 3.29Å; E81-S85 PolarHBondContact O-N 2.82Å; E81-S85 PolarHBondContact O-OG 3.16Å; D82-S85 PolarHBondContact O-N 2.95Å; S85-R87 VanDerWaalsContact C-N 3.34Å; S85-R87 PolarHBondContact O-N 3.28Å; S85-K88 PolarHBondContact O-N 2.87Å; S85-V89 WeakPolarHBondContact O-CB 3.19Å; S85-V89 VanDerWaalsContact O-CG2 3.26Å; S85-V89 WeakPolarHBondContact O-CG2 3.4Å; S85-V89 PolarHBondContact O-N 3.13Å
86	Q	49.3	Very low	56.5	Low	120 Å²	120	102.1 Å²	102.1	56%	0.561	51%	0.513	S	S	*	.	H	α-helix	trans	-63.9	-37.9	173.5	-72.8	179.5	6.9	0	0	112.1	D82 R83 V89 A90	D82-Q86 WeakPolarHBondContact O-CB 3.46Å; D82-Q86 VanDerWaalsContact O-CG 3.31Å; D82-Q86 WeakPolarHBondContact O-CG 3.25Å; D82-Q86 PolarHBondContact O-N 2.89Å; D82-Q86 PolarHBondContact OD2-NE2 3.32Å; R83-Q86 PolarHBondContact O-N 2.8Å; Q86-V89 PolarHBondContact O-N 3.39Å; Q86-A90 WeakPolarHBondContact O-CB 3.16Å; Q86-A90 PolarHBondContact O-N 3.41Å
87	R	62.2	Low	56.1	Low	156 Å²	156	103 Å²	103	59%	0.589	52%	0.521	S	S	*	.	H	α-helix	trans	-65.1	-44.3	171.5	-88.1	-178.8	169.6	-177.1	-5.4	112.6	R83 D84 S85 V89 A90 D91	R83-R87 WeakPolarHBondContact O-CB 3.21Å; R83-R87 PolarHBondContact O-N 3.35Å; D84-R87 PolarHBondContact O-N 3.41Å; S85-R87 VanDerWaalsContact C-N 3.34Å; S85-R87 PolarHBondContact O-N 3.28Å; R87-V89 VanDerWaalsContact C-N 3.31Å; R87-V89 PolarHBondContact O-N 3.23Å; R87-A90 CarbonylContact O-C 3.59Å; R87-A90 WeakPolarHBondContact O-CB 3.46Å; R87-A90 PolarHBondContact O-N 2.82Å; R87-D91 WeakPolarHBondContact O-CB 3.35Å; R87-D91 PolarHBondContact O-N 2.81Å
88	K	62.6	Low	55.3	Low	144 Å²	144	103.2 Å²	103.2	63%	0.626	52%	0.524	S	S	*	.	H	α-helix	trans	-63	-38.1	174.7	-76.6	174.9	-176.8	175.7	0	111.8	D84 S85 D91 V92	D84-K88 WeakPolarHBondContact O-CB 3.47Å; D84-K88 WeakPolarHBondContact O-CG 3.04Å; D84-K88 PolarHBondContact O-N 2.86Å; S85-K88 PolarHBondContact O-N 2.87Å; K88-D91 PolarHBondContact O-N 2.83Å; K88-V92 VanDerWaalsContact O-CB 3.3Å; K88-V92 WeakPolarHBondContact O-CB 3.28Å; K88-V92 WeakPolarHBondContact O-CG2 3.32Å; K88-V92 PolarHBondContact O-N 3.41Å
89	V	55.3	Low	55	Low	88 Å²	88	104 Å²	104	53%	0.533	53%	0.528	S	S	.	.	H	α-helix	trans	-65.2	-41.8	173.7	169.2	0	0	0	0	110.8	S85 Q86 R87 V92 L93	S85-V89 WeakPolarHBondContact O-CB 3.19Å; S85-V89 VanDerWaalsContact O-CG2 3.26Å; S85-V89 WeakPolarHBondContact O-CG2 3.4Å; S85-V89 PolarHBondContact O-N 3.13Å; Q86-V89 PolarHBondContact O-N 3.39Å; R87-V89 VanDerWaalsContact C-N 3.31Å; R87-V89 PolarHBondContact O-N 3.23Å; V89-V92 PolarHBondContact O-N 2.7Å; V89-L93 HydrophobicContact CG1-CD1 3.89Å; V89-L93 WeakPolarHBondContact O-CB 3.23Å; V89-L93 WeakPolarHBondContact O-CD1 3.3Å; V89-L93 WeakPolarHBondContact O-CG 3.31Å; V89-L93 PolarHBondContact O-N 2.7Å
90	A	51.9	Low	54.9	Low	46 Å²	46	100.4 Å²	100.4	38%	0.38	52%	0.516	S	S	.	.	H	α-helix	trans	-64.6	-42.6	174.7	0	0	0	0	0	112.1	Q86 R87 L93 Q94	Q86-A90 WeakPolarHBondContact O-CB 3.16Å; Q86-A90 PolarHBondContact O-N 3.41Å; R87-A90 CarbonylContact O-C 3.59Å; R87-A90 WeakPolarHBondContact O-CB 3.46Å; R87-A90 PolarHBondContact O-N 2.82Å; A90-L93 WeakPolarHBondContact O-CB 3.28Å; A90-L93 PolarHBondContact O-N 3.21Å; A90-Q94 VanDerWaalsContact O-CB 3.23Å; A90-Q94 WeakPolarHBondContact O-CB 3.33Å; A90-Q94 PolarHBondContact O-N 3.35Å
91	D	59.8	Low	54	Low	95 Å²	95	97.5 Å²	97.5	51%	0.508	51%	0.511	S	S	.	.	H	α-helix	trans	-67.8	-36.4	176.8	-72.9	-21.6	0	0	0	111.7	R87 K88 Q94 Q95	R87-D91 WeakPolarHBondContact O-CB 3.35Å; R87-D91 PolarHBondContact O-N 2.81Å; K88-D91 PolarHBondContact O-N 2.83Å; D91-Q94 PolarHBondContact O-N 2.91Å; D91-Q95 WeakPolarHBondContact O-CB 3.35Å; D91-Q95 PolarHBondContact O-N 2.89Å
92	V	61.8	Low	52.9	Low	93 Å²	93	93.7 Å²	93.7	56%	0.564	50%	0.502	S	S	*	.	H	α-helix	trans	-69.1	-39.8	173	169	0	0	0	0	111.1	K88 V89 Q94 A96	K88-V92 VanDerWaalsContact O-CB 3.3Å; K88-V92 WeakPolarHBondContact O-CB 3.28Å; K88-V92 WeakPolarHBondContact O-CG2 3.32Å; K88-V92 PolarHBondContact O-N 3.41Å; V89-V92 PolarHBondContact O-N 2.7Å; V92-Q94 VanDerWaalsContact C-N 3.31Å; V92-A96 WeakPolarHBondContact O-CB 3.25Å; V92-A96 PolarHBondContact O-N 3.06Å
93	L	47.8	Very low	52.4	Low	103 Å²	103	95.3 Å²	95.3	54%	0.539	51%	0.507	S	S	.	.	H	α-helix	trans	-62.6	-39.6	171.5	-89.1	154.9	0	0	0	111	V89 A90 A96 L97	V89-L93 HydrophobicContact CG1-CD1 3.89Å; V89-L93 WeakPolarHBondContact O-CB 3.23Å; V89-L93 WeakPolarHBondContact O-CD1 3.3Å; V89-L93 WeakPolarHBondContact O-CG 3.31Å; V89-L93 PolarHBondContact O-N 2.7Å; A90-L93 WeakPolarHBondContact O-CB 3.28Å; A90-L93 PolarHBondContact O-N 3.21Å; L93-A96 PolarHBondContact O-N 3.13Å; L93-L97 WeakPolarHBondContact O-CB 3.23Å; L93-L97 WeakPolarHBondContact O-CD1 3.15Å; L93-L97 WeakPolarHBondContact O-CG 3.26Å; L93-L97 PolarHBondContact O-N 3.02Å
94	Q	53.7	Low	51.7	Low	115 Å²	115	96.2 Å²	96.2	54%	0.537	51%	0.514	S	S	.	.	H	α-helix	trans	-74.9	-36	-179.6	-160.9	158.9	-8	0	0	112.2	A90 D91 V92 L97 Q98	A90-Q94 VanDerWaalsContact O-CB 3.23Å; A90-Q94 WeakPolarHBondContact O-CB 3.33Å; A90-Q94 PolarHBondContact O-N 3.35Å; D91-Q94 PolarHBondContact O-N 2.91Å; V92-Q94 VanDerWaalsContact C-N 3.31Å; Q94-L97 PolarHBondContact O-N 3.05Å; Q94-Q98 WeakPolarHBondContact O-CB 3.45Å; Q94-Q98 WeakPolarHBondContact O-CG 3.16Å; Q94-Q98 PolarHBondContact O-N 2.85Å
95	Q	54.1	Low	50.7	Low	118 Å²	118	99.5 Å²	99.5	55%	0.551	53%	0.527	S	S	*	.	H	α-helix	trans	-68.8	-37.8	168.2	-83.5	-177.8	-15.6	0	0	111.9	D91 L97 Q98 I99	D91-Q95 WeakPolarHBondContact O-CB 3.35Å; D91-Q95 PolarHBondContact O-N 2.89Å; Q95-L97 VanDerWaalsContact C-N 3.32Å; Q95-L97 PolarHBondContact O-N 2.9Å; Q95-Q98 PolarHBondContact O-N 2.67Å; Q95-I99 WeakPolarHBondContact O-CB 3.43Å; Q95-I99 WeakPolarHBondContact O-CD1 3.36Å; Q95-I99 WeakPolarHBondContact O-CG1 3.46Å; Q95-I99 PolarHBondContact O-N 2.96Å
96	A	48.3	Very low	49.7	Very low	59 Å²	59	103.5 Å²	103.5	49%	0.488	54%	0.539	S	S	.	.	H	α-helix	trans	-65.8	-35.9	173.4	0	0	0	0	0	111.7	V92 L93 G100	V92-A96 WeakPolarHBondContact O-CB 3.25Å; V92-A96 PolarHBondContact O-N 3.06Å; L93-A96 PolarHBondContact O-N 3.13Å; A96-G100 PolarHBondContact O-N 2.69Å
97	L	46.3	Very low	49.2	Very low	128 Å²	128	103.3 Å²	103.3	67%	0.67	54%	0.541	S	S	*	.	H	α-helix	trans	-67.7	-37.5	171.8	-74.9	163.4	0	0	0	112	L93 Q94 Q95 A101	L93-L97 WeakPolarHBondContact O-CB 3.23Å; L93-L97 WeakPolarHBondContact O-CD1 3.15Å; L93-L97 WeakPolarHBondContact O-CG 3.26Å; L93-L97 PolarHBondContact O-N 3.02Å; Q94-L97 PolarHBondContact O-N 3.05Å; Q95-L97 VanDerWaalsContact C-N 3.32Å; Q95-L97 PolarHBondContact O-N 2.9Å; L97-A101 WeakPolarHBondContact O-CB 3.31Å; L97-A101 PolarHBondContact O-N 2.91Å
98	Q	50.1	Low	48.1	Very low	134 Å²	134	102.6 Å²	102.6	63%	0.626	54%	0.544	S	S	*	.	H	α-helix	trans	-74.8	-37.2	175.3	-78.1	-176.3	-11.9	0	0	113.3	Q94 Q95 G100 A101 G102	Q94-Q98 WeakPolarHBondContact O-CB 3.45Å; Q94-Q98 WeakPolarHBondContact O-CG 3.16Å; Q94-Q98 PolarHBondContact O-N 2.85Å; Q95-Q98 PolarHBondContact O-N 2.67Å; Q98-G100 VanDerWaalsContact C-N 3.35Å; Q98-A101 PolarHBondContact O-N 2.8Å; Q98-G102 PolarHBondContact O-N 3.24Å
99	I	49.6	Very low	46.8	Very low	104 Å²	104	103.4 Å²	103.4	53%	0.533	55%	0.55	S	S	.	*	H	α-helix	trans	-68.2	-37.6	173	-66.6	163.1	0	0	0	109.7	Q95 A101 G102 Q103	Q95-I99 WeakPolarHBondContact O-CB 3.43Å; Q95-I99 WeakPolarHBondContact O-CD1 3.36Å; Q95-I99 WeakPolarHBondContact O-CG1 3.46Å; Q95-I99 PolarHBondContact O-N 2.96Å; I99-A101 VanDerWaalsContact C-N 3.34Å; I99-G102 PolarHBondContact O-N 3.26Å; I99-Q103 WeakPolarHBondContact O-CB 3.22Å; I99-Q103 WeakPolarHBondContact O-CG 3.37Å; I99-Q103 PolarHBondContact O-N 2.9Å
100	G	45.1	Very low	46	Very low	31 Å²	31	107.7 Å²	107.7	32%	0.32	56%	0.564	S	S	.	*	H	α-helix	trans	-66.7	-31.7	171.1	0	0	0	0	0	113.4	A96 Q98 K104	A96-G100 PolarHBondContact O-N 2.69Å; Q98-G100 VanDerWaalsContact C-N 3.35Å; G100-K104 WeakPolarHBondContact O-CB 3.46Å; G100-K104 WeakPolarHBondContact O-CG 3.4Å; G100-K104 PolarHBondContact O-N 3.23Å
101	A	45.4	Very low	45.3	Very low	48 Å²	48	112.7 Å²	112.7	40%	0.397	58%	0.58	S	S	.	*	H	α-helix	trans	-73.2	-40.3	171.6	0	0	0	0	0	112.3	L97 Q98 I99 K104 E105	L97-A101 WeakPolarHBondContact O-CB 3.31Å; L97-A101 PolarHBondContact O-N 2.91Å; Q98-A101 PolarHBondContact O-N 2.8Å; I99-A101 VanDerWaalsContact C-N 3.34Å; A101-K104 WeakPolarHBondContact O-CB 3.38Å; A101-K104 PolarHBondContact O-N 3Å; A101-E105 PolarHBondContact O-N 2.88Å
102	G	40.1	Very low	44.2	Very low	31 Å²	31	115.5 Å²	115.5	32%	0.32	60%	0.595	S	S	.	*	H	α-helix	trans	-70.5	-33.4	175.3	0	0	0	0	0	113.6	Q98 I99 E105 Q106	Q98-G102 PolarHBondContact O-N 3.24Å; I99-G102 PolarHBondContact O-N 3.26Å; G102-E105 PolarHBondContact O-N 3.12Å; G102-Q106 PolarHBondContact O-N 3.38Å
103	Q	40.5	Very low	43.3	Very low	116 Å²	116	115.9 Å²	115.9	54%	0.542	61%	0.607	S	S	.	*	H	α-helix	trans	-70.7	-32.6	168.8	-78.9	-177.8	-18	0	0	111.7	I99 L107	I99-Q103 WeakPolarHBondContact O-CB 3.22Å; I99-Q103 WeakPolarHBondContact O-CG 3.37Å; I99-Q103 PolarHBondContact O-N 2.9Å; Q103-L107 WeakPolarHBondContact O-CB 3.33Å; Q103-L107 WeakPolarHBondContact O-CD1 3.48Å; Q103-L107 PolarHBondContact O-N 2.97Å
104	K	42.9	Very low	42.9	Very low	151 Å²	151	115.4 Å²	115.4	66%	0.657	62%	0.619	S	S	*	*	H	α-helix	trans	-63.7	-41.3	168.3	-90.2	-177.3	173.7	-177.1	0	111.8	G100 A101 L107 Q108	G100-K104 WeakPolarHBondContact O-CB 3.46Å; G100-K104 WeakPolarHBondContact O-CG 3.4Å; G100-K104 PolarHBondContact O-N 3.23Å; A101-K104 WeakPolarHBondContact O-CB 3.38Å; A101-K104 PolarHBondContact O-N 3Å; K104-L107 PolarHBondContact O-N 2.88Å; K104-Q108 WeakPolarHBondContact O-CB 3.43Å; K104-Q108 PolarHBondContact O-N 2.86Å
105	E	40.5	Very low	42.2	Very low	147 Å²	147	114.1 Å²	114.1	69%	0.687	63%	0.628	S	S	*	*	H	α-helix	trans	-67	-34.7	176.9	-78.3	179.8	161.4	0	0	113.1	A101 G102	A101-E105 PolarHBondContact O-N 2.88Å; G102-E105 PolarHBondContact O-N 3.12Å
106	Q	36.6	Very low	41.5	Very low	146 Å²	146	114.8 Å²	114.8	68%	0.682	64%	0.642	S	S	*	*	H	α-helix	trans	-78.2	-31.7	174.2	-76.9	-175.4	-17.4	0	0	113.8	G102 Q108	G102-Q106 PolarHBondContact O-N 3.38Å; Q106-Q108 VanDerWaalsContact C-N 3.32Å
107	L	38.4	Very low	41.1	Very low	117 Å²	117	121.1 Å²	121.1	61%	0.613	66%	0.661	S	S	*	*	H	α-helix	trans	-72.9	-24.1	170.4	-94.6	98.5	0	0	0	112.7	Q103 K104 Q109	Q103-L107 WeakPolarHBondContact O-CB 3.33Å; Q103-L107 WeakPolarHBondContact O-CD1 3.48Å; Q103-L107 PolarHBondContact O-N 2.97Å; K104-L107 PolarHBondContact O-N 2.88Å; L107-Q109 VanDerWaalsContact C-N 3.33Å
108	Q	39	Very low	41.2	Very low	141 Å²	141	124.9 Å²	124.9	66%	0.659	67%	0.672	S	S	*	*	H	α-helix	trans	-70.7	-26.2	176.9	-149.2	95.2	25.2	0	0	112.6	K104 Q106 H110	K104-Q108 WeakPolarHBondContact O-CB 3.43Å; K104-Q108 PolarHBondContact O-N 2.86Å; Q106-Q108 VanDerWaalsContact C-N 3.32Å; Q108-H110 VanDerWaalsContact C-N 3.34Å; Q108-H110 PolarHBondContact O-N 3Å
109	Q	36.4	Very low	41.2	Very low	160 Å²	160	128 Å²	128	75%	0.748	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.2	-6.7	-180	-83.8	-176.9	-10.2	0	0	114.7	L107	L107-Q109 VanDerWaalsContact C-N 3.33Å
110	H	38.5	Very low	41.6	Very low	179 Å²	179	125.5 Å²	125.5	83%	0.829	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.9	12.2	178.4	-88.7	-31	0	0	0	115	Q108	Q108-H110 VanDerWaalsContact C-N 3.34Å; Q108-H110 PolarHBondContact O-N 3Å
111	Q	35.5	Very low	43	Very low	151 Å²	151	130.1 Å²	130.1	71%	0.706	69%	0.693	S	S	*	*			trans	-115.8	14.4	175.5	-81.6	-173.5	-18.7	0	0	115.1	A113	Q111-A113 PolarHBondContact O-N 2.9Å
112	D	37	Very low	44.7	Very low	154 Å²	154	131.6 Å²	131.6	82%	0.824	69%	0.691	S	S	*	*			trans	-79.8	61.4	168.2	-73.8	-24	0	0	0	111.4
113	A	44.3	Very low	47.2	Very low	100 Å²	100	133.6 Å²	133.6	83%	0.826	69%	0.693	S	S	*	*	S	Bend	trans	-165.3	53.1	161.2	0	0	0	0	0	111.5	Q111	Q111-A113 PolarHBondContact O-N 2.9Å
114	A	37.7	Very low	49.6	Very low	94 Å²	94	130.9 Å²	130.9	78%	0.777	68%	0.68	S	S	*	*	S	Bend	trans	-151.6	144.6	164.3	0	0	0	0	0	111.6
115	A	39.9	Very low	51.8	Low	88 Å²	88	128.8 Å²	128.8	73%	0.727	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-46.7	155.8	-169.1	0	0	0	0	0	116.4	Q117	A115-Q117 PolarHBondContact O-N 2.92Å
116	P	38.4	Very low	54.2	Low	132 Å²	132	127.2 Å²	127.2	86%	0.857	69%	0.687	S	S	*	*	P	Polyproline II helix	trans	-69.6	116.4	-166.5	27.7	-32.3	0	0	0	112.4	K118	P116-K118 PolarHBondContact O-N 3.19Å
117	Q	41.9	Very low	57	Low	191 Å²	191	120.7 Å²	120.7	89%	0.893	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-73.7	119.7	168.4	-81.4	-178	-13.9	0	0	110.3	A115 K119	A115-Q117 PolarHBondContact O-N 2.92Å; Q117-K119 PolarHBondContact O-N 2.9Å
118	K	47.4	Very low	59.7	Low	207 Å²	207	117.3 Å²	117.3	90%	0.9	64%	0.642	S	S	*	*	P	Polyproline II helix	trans	-57.9	118.1	165.5	-87.7	177.7	171.6	178.9	0	108.9	P116 S120	P116-K118 PolarHBondContact O-N 3.19Å; K118-S120 PolarHBondContact O-N 2.57Å
119	K	49.7	Very low	62.4	Low	201 Å²	201	110.6 Å²	110.6	87%	0.874	61%	0.611	S	S	*	*	P	Polyproline II helix	trans	-59.6	117.6	162.6	-78.4	-179.1	176.4	178.8	0	107.9	Q117 N121	Q117-K119 PolarHBondContact O-N 2.9Å; K119-N121 PolarHBondContact O-N 2.96Å
120	S	57.8	Low	65.1	Low	50 Å²	50	103.1 Å²	103.1	35%	0.35	58%	0.576	S	S	.	*	P	Polyproline II helix	trans	-68.3	126	174.7	109	0	0	0	0	108.3	K118 E135	K118-S120 PolarHBondContact O-N 2.57Å; S120-E135 VanDerWaalsContact CB-O 3.23Å; S120-E135 WeakPolarHBondContact CB-O 3.35Å; S120-E135 PolarHBondContact OG-O 3.34Å
121	N	74.4	Confident	67.6	Low	129 Å²	129	101.9 Å²	101.9	69%	0.69	57%	0.568	S	S	*	*	P	Polyproline II helix	trans	-77.8	122.9	170.8	-80.8	-20.3	0	0	0	107.6	K119 L123 Q142	K119-N121 PolarHBondContact O-N 2.96Å; N121-L123 PolarHBondContact O-N 2.64Å; N121-Q142 PolarHBondContact O-NE2 2.87Å
122	K	82.7	Confident	70.1	Confident	79 Å²	79	100.4 Å²	100.4	34%	0.343	57%	0.565	S	S	.	*			trans	-70.2	113.1	171.6	-69.1	-170.7	178.7	-172.1	0	108.8	F124 F130	K122-F124 VanDerWaalsContact C-N 3.32Å; K122-F130 PolarHBondContact NZ-O 2.78Å
123	L	90.9	Very high	72.8	Confident	72 Å²	72	95.1 Å²	95.1	38%	0.377	53%	0.534	S	S	.	.	S	Bend	trans	-70.7	-29.2	179.6	-171.7	64.8	0	0	0	112	N121 P125 K143	N121-L123 PolarHBondContact O-N 2.64Å; L123-P125 WeakPolarHBondContact O-CD 3.44Å; L123-K143 HydrophobicContact CD2-CD 4.23Å; L123-K143 HydrophobicContact CD2-CG 3.61Å
124	F	92.2	Very high	75	Confident	59 Å²	59	90.9 Å²	90.9	26%	0.259	50%	0.5	S	S	.	.			trans	-122.1	70.1	-179.6	-55.7	-80.2	0	0	0	111.9	K122 S126 S127 F130 Q142 K143 Q146	K122-F124 VanDerWaalsContact C-N 3.32Å; F124-S126 PolarHBondContact O-N 3.21Å; F124-S127 PolarHBondContact O-N 3.45Å; F124-F130 HydrophobicContact CB-CD2 3.84Å; F124-F130 HydrophobicContact CB-CE2 3.93Å; F124-F130 HydrophobicContact CD2-CD2 4.45Å; F124-F130 AromaticContact CD2-CE2 3.78Å; F124-F130 HydrophobicContact CD2-CE2 3.78Å; F124-F130 HydrophobicContact CD2-CZ 4.48Å; F124-F130 HydrophobicContact CG-CE2 4.22Å; F124-Q142 HydrophobicContact CD2-CB 4.32Å; F124-Q142 HydrophobicContact CE2-CB 4.36Å; F124-K143 HydrophobicContact CE2-CG 4.19Å; F124-K143 HydrophobicContact CZ-CG 4.19Å; F124-Q146 HydrophobicContact CD1-CG 3.99Å; F124-Q146 HydrophobicContact CD2-CB 3.92Å; F124-Q146 HydrophobicContact CD2-CG 4.15Å; F124-Q146 HydrophobicContact CE1-CB 4.48Å; F124-Q146 HydrophobicContact CE1-CG 3.97Å; F124-Q146 HydrophobicContact CE2-CB 3.76Å; F124-Q146 HydrophobicContact CE2-CG 4.13Å; F124-Q146 HydrophobicContact CG-CB 4.36Å; F124-Q146 HydrophobicContact CG-CG 4.08Å; F124-Q146 HydrophobicContact CZ-CB 4.06Å; F124-Q146 HydrophobicContact CZ-CG 4.04Å
125	P	88.2	Confident	77.3	Confident	108 Å²	108	92.8 Å²	92.8	70%	0.701	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-20.3	-173.4	27.8	-35.8	0	0	0	114.3	L123	L123-P125 WeakPolarHBondContact O-CD 3.44Å
126	S	92.2	Very high	79.6	Confident	114 Å²	114	96 Å²	96	80%	0.797	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	-8.5	177.5	55.1	0	0	0	0	113.8	F124	F124-S126 PolarHBondContact O-N 3.21Å
127	S	94.3	Very high	82.3	Confident	9 Å²	9	90.7 Å²	90.7	6%	0.063	46%	0.462	C	S	.	.			trans	-73.5	128.6	-178.7	177.5	0	0	0	0	110.4	F124 L129 F130 Q146	F124-S127 PolarHBondContact O-N 3.45Å; S127-L129 PolarHBondContact O-N 3.44Å; S127-L129 PolarHBondContact OG-N 3.05Å; S127-F130 PolarHBondContact O-N 3Å; S127-Q146 VanDerWaalsContact CB-OE1 3.23Å; S127-Q146 PolarHBondContact OG-OE1 2.84Å
128	P	94.8	Very high	84.8	Confident	45 Å²	45	84.4 Å²	84.4	29%	0.292	44%	0.439	S	S	.	.	G	3₁₀ helix	trans	-55.9	-30.7	174.7	-24.8	33.4	0	0	0	113.3	F130 K131 F149 F318 F419	P128-F130 VanDerWaalsContact C-N 3.32Å; P128-F130 PolarHBondContact O-N 2.74Å; P128-K131 WeakPolarHBondContact O-CB 3.43Å; P128-K131 PolarHBondContact O-N 2.8Å; P128-F149 HydrophobicContact CB-CZ 4.44Å; P128-F318 HydrophobicContact CB-CE2 4.19Å; P128-F318 HydrophobicContact CB-CZ 4.15Å; P128-F419 HydrophobicContact CB-CD2 4.19Å; P128-F419 HydrophobicContact CB-CE2 3.76Å; P128-F419 HydrophobicContact CB-CZ 4.01Å; P128-F419 HydrophobicContact CG-CD2 4.47Å; P128-F419 HydrophobicContact CG-CE1 3.92Å; P128-F419 HydrophobicContact CG-CE2 3.74Å; P128-F419 HydrophobicContact CG-CZ 3.43Å; P128-F419 VanDerWaalsContact CG-CZ 3.43Å
129	L	95.7	Very high	87	Confident	0 Å²	0	79.7 Å²	79.7	0%	0	42%	0.42	C	S	.	.	G	3₁₀ helix	trans	-59.3	-39.8	-179.4	-178.6	68.2	0	0	0	113	S127 W133 A145 F149 N155 D319	S127-L129 PolarHBondContact O-N 3.44Å; S127-L129 PolarHBondContact OG-N 3.05Å; L129-W133 HydrophobicContact CD1-CE3 4.5Å; L129-W133 HydrophobicContact CD2-CZ3 4.47Å; L129-W133 HydrophobicContact CG-CE3 4.32Å; L129-W133 HydrophobicContact CG-CZ3 4.42Å; L129-A145 HydrophobicContact CD2-CB 4.13Å; L129-A145 WeakPolarHBondContact CD2-O 3.36Å; L129-F149 HydrophobicContact CB-CD1 3.88Å; L129-F149 HydrophobicContact CB-CD2 4.32Å; L129-F149 HydrophobicContact CB-CE1 4.13Å; L129-F149 HydrophobicContact CB-CG 3.97Å; L129-F149 HydrophobicContact CB-CZ 4.46Å; L129-F149 HydrophobicContact CD1-CB 4.31Å; L129-F149 HydrophobicContact CD1-CD2 3.98Å; L129-F149 HydrophobicContact CD1-CG 4.15Å; L129-F149 HydrophobicContact CD2-CB 3.6Å; L129-F149 HydrophobicContact CD2-CD1 4.4Å; L129-F149 HydrophobicContact CD2-CG 3.99Å; L129-F149 HydrophobicContact CG-CB 4.36Å; L129-F149 HydrophobicContact CG-CG 4.26Å; L129-N155 HydrophobicContact CD1-CB 3.68Å; L129-D319 HydrophobicContact CD1-CB 4.35Å
130	F	94.8	Very high	89.2	Confident	4 Å²	4	75.3 Å²	75.3	2%	0.018	41%	0.406	C	S	.	.	G	3₁₀ helix	trans	-97.6	13.1	-173.8	-58	-68.2	0	0	0	113.4	K122 F124 S127 P128 W133 L137 Q142 A145 Q146	K122-F130 PolarHBondContact NZ-O 2.78Å; F124-F130 HydrophobicContact CB-CD2 3.84Å; F124-F130 HydrophobicContact CB-CE2 3.93Å; F124-F130 HydrophobicContact CD2-CD2 4.45Å; F124-F130 AromaticContact CD2-CE2 3.78Å; F124-F130 HydrophobicContact CD2-CE2 3.78Å; F124-F130 HydrophobicContact CD2-CZ 4.48Å; F124-F130 HydrophobicContact CG-CE2 4.22Å; S127-F130 PolarHBondContact O-N 3Å; P128-F130 VanDerWaalsContact C-N 3.32Å; P128-F130 PolarHBondContact O-N 2.74Å; F130-W133 CarbonylContact C-O 3.55Å; F130-W133 VanDerWaalsContact CA-O 3.28Å; F130-W133 WeakPolarHBondContact CA-O 3.26Å; F130-W133 HydrophobicContact CD1-CE3 4.09Å; F130-W133 HydrophobicContact CD1-CZ3 4.18Å; F130-W133 HydrophobicContact CE1-CE3 4.16Å; F130-W133 AromaticContact CE1-CZ3 3.77Å; F130-W133 HydrophobicContact CE1-CZ3 3.77Å; F130-L137 HydrophobicContact CE1-CD1 3.94Å; F130-Q142 HydrophobicContact CE1-CB 4.46Å; F130-Q142 HydrophobicContact CE1-CG 4.24Å; F130-Q142 HydrophobicContact CZ-CB 4.13Å; F130-Q142 HydrophobicContact CZ-CG 4.39Å; F130-Q142 WeakPolarHBondContact CZ-O 3.41Å; F130-A145 HydrophobicContact CE1-CB 4.19Å; F130-A145 HydrophobicContact CZ-CB 3.97Å; F130-Q146 HydrophobicContact CE2-CB 4.08Å; F130-Q146 HydrophobicContact CZ-CB 4.41Å
131	K	90.9	Very high	91.1	Very high	153 Å²	153	76 Å²	76	67%	0.665	40%	0.404	S	S	*	.	S	Bend	trans	-65.3	-55.2	178.7	-172.7	-176.2	174.1	-170.8	0	110.4	P128	P128-K131 WeakPolarHBondContact O-CB 3.43Å; P128-K131 PolarHBondContact O-N 2.8Å
132	D	88.1	Confident	92.1	Very high	120 Å²	120	70 Å²	70	64%	0.642	37%	0.372	S	S	*	.	S	Bend	trans	-115.7	2.6	-174	-58.6	-45.6	0	0	0	112.8
133	W	93.1	Very high	92.8	Very high	43 Å²	43	70.7 Å²	70.7	16%	0.163	38%	0.375	C	S	.	.	S	Bend	trans	-136.7	159.6	-179.4	-179.3	87.5	0	0	0	112.5	L129 F130 L137 A145 N155 F157 L158	L129-W133 HydrophobicContact CD1-CE3 4.5Å; L129-W133 HydrophobicContact CD2-CZ3 4.47Å; L129-W133 HydrophobicContact CG-CE3 4.32Å; L129-W133 HydrophobicContact CG-CZ3 4.42Å; F130-W133 CarbonylContact C-O 3.55Å; F130-W133 VanDerWaalsContact CA-O 3.28Å; F130-W133 WeakPolarHBondContact CA-O 3.26Å; F130-W133 HydrophobicContact CD1-CE3 4.09Å; F130-W133 HydrophobicContact CD1-CZ3 4.18Å; F130-W133 HydrophobicContact CE1-CE3 4.16Å; F130-W133 AromaticContact CE1-CZ3 3.77Å; F130-W133 HydrophobicContact CE1-CZ3 3.77Å; W133-L137 HydrophobicContact CE3-CD1 4.33Å; W133-L137 HydrophobicContact CH2-CD1 3.46Å; W133-L137 VanDerWaalsContact CH2-CD1 3.46Å; W133-L137 HydrophobicContact CZ2-CD1 4.21Å; W133-L137 HydrophobicContact CZ3-CD1 3.53Å; W133-A145 HydrophobicContact CH2-CB 4.27Å; W133-A145 HydrophobicContact CZ3-CB 4.12Å; W133-N155 VanDerWaalsContact CD2-ND2 3.31Å; W133-N155 VanDerWaalsContact CE2-ND2 3.31Å; W133-N155 VanDerWaalsContact CE3-ND2 3.28Å; W133-N155 VanDerWaalsContact CH2-ND2 3.29Å; W133-N155 WeakPolarHBondContact CH2-ND2 3.04Å; W133-N155 VanDerWaalsContact CZ2-ND2 3.33Å; W133-N155 WeakPolarHBondContact CZ2-ND2 3.37Å; W133-N155 VanDerWaalsContact CZ3-ND2 3.26Å; W133-N155 WeakPolarHBondContact CZ3-ND2 3.41Å; W133-F157 AromaticContact CH2-CD1 3.59Å; W133-F157 HydrophobicContact CH2-CD1 3.59Å; W133-F157 HydrophobicContact CH2-CE1 4.09Å; W133-F157 HydrophobicContact CH2-CG 4.45Å; W133-F157 HydrophobicContact CZ2-CD1 4.07Å; W133-F157 HydrophobicContact CZ2-CE1 4.43Å; W133-L158 HydrophobicContact CZ2-CB 4.03Å; W133-L158 HydrophobicContact CZ2-CD1 4.46Å
134	G	89.9	Confident	93.1	Very high	10 Å²	10	71.4 Å²	71.4	10%	0.103	38%	0.376	C	S	.	.			trans	90.1	17.8	167.3	0	0	0	0	0	117.4	N136 L137	G134-N136 PolarHBondContact O-N 3.19Å; G134-L137 PolarHBondContact O-N 3Å
135	E	86.5	Confident	93.4	Very high	134 Å²	134	68.6 Å²	68.6	63%	0.626	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-27.8	-176.9	-64.1	-169.1	151.3	0	0	114.6	S120	S120-E135 VanDerWaalsContact CB-O 3.23Å; S120-E135 WeakPolarHBondContact CB-O 3.35Å; S120-E135 PolarHBondContact OG-O 3.34Å
136	N	88.6	Confident	93.8	Very high	155 Å²	155	64.2 Å²	64.2	83%	0.829	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.6	15	-174	-64.4	-33.6	0	0	0	114.2	G134	G134-N136 PolarHBondContact O-N 3.19Å
137	L	93.8	Very high	94	Very high	22 Å²	22	61.5 Å²	61.5	12%	0.115	32%	0.319	C	S	.	.			trans	-83.8	137.7	-179.1	-61.3	177.5	0	0	0	111.3	F130 W133 G134 E141 Q142 F157	F130-L137 HydrophobicContact CE1-CD1 3.94Å; W133-L137 HydrophobicContact CE3-CD1 4.33Å; W133-L137 HydrophobicContact CH2-CD1 3.46Å; W133-L137 VanDerWaalsContact CH2-CD1 3.46Å; W133-L137 HydrophobicContact CZ2-CD1 4.21Å; W133-L137 HydrophobicContact CZ3-CD1 3.53Å; G134-L137 PolarHBondContact O-N 3Å; L137-E141 HydrophobicContact CB-CB 3.98Å; L137-E141 HydrophobicContact CD2-CB 4.15Å; L137-E141 HydrophobicContact CG-CB 4.49Å; L137-Q142 HydrophobicContact CB-CG 3.71Å; L137-Q142 HydrophobicContact CD1-CG 4.39Å; L137-Q142 PolarHBondContact O-NE2 2.74Å; L137-F157 HydrophobicContact CD2-CE1 3.86Å; L137-F157 HydrophobicContact CD2-CZ 4.16Å
138	S	94.9	Very high	94.2	Very high	58 Å²	58	62.7 Å²	62.7	41%	0.406	32%	0.324	S	S	.	.			trans	-60.8	162.3	166.1	64.4	0	0	0	0	111.3	D140 E141 Q142	S138-D140 PolarHBondContact O-N 3.32Å; S138-E141 WeakPolarHBondContact CB-OE2 3.46Å; S138-E141 PolarHBondContact N-OE2 2.71Å; S138-E141 PolarHBondContact O-N 3.02Å; S138-E141 WeakPolarHBondContact OG-CB 3.36Å; S138-E141 VanDerWaalsContact OG-CG 3.22Å; S138-E141 WeakPolarHBondContact OG-CG 3.38Å; S138-E141 PolarHBondContact OG-N 3.06Å; S138-E141 PolarHBondContact OG-OE2 2.9Å; S138-Q142 WeakPolarHBondContact O-CG 3.39Å; S138-Q142 PolarHBondContact O-N 3.27Å
139	E	94.4	Very high	94.2	Very high	108 Å²	108	60.8 Å²	60.8	51%	0.505	31%	0.311	S	S	.	.	H	α-helix	trans	-58.7	-36.2	179	-68.2	-175.6	-176.7	0	0	112.5	Q142 K143	E139-Q142 PolarHBondContact O-N 3.06Å; E139-K143 WeakPolarHBondContact O-CG 3.39Å; E139-K143 PolarHBondContact O-N 3.45Å
140	D	95.9	Very high	94.1	Very high	110 Å²	110	66.3 Å²	66.3	59%	0.588	34%	0.337	S	S	*	.	H	α-helix	trans	-73.5	-38	179.9	-66.9	-25.7	0	0	0	111.9	S138 Q142 K143 E144	S138-D140 PolarHBondContact O-N 3.32Å; D140-Q142 VanDerWaalsContact C-N 3.33Å; D140-Q142 PolarHBondContact O-N 3.41Å; D140-K143 PolarHBondContact O-N 2.82Å; D140-K143 IonicContact OD1-NZ 3.94Å; D140-K143 PolarHBondContact OD1-NZ 2.95Å; D140-E144 PolarHBondContact O-N 3.28Å
141	E	96.6	Very high	94.1	Very high	64 Å²	64	70.9 Å²	70.9	30%	0.299	36%	0.357	S	S	.	.	H	α-helix	trans	-64.2	-38	171.5	-72.1	170.3	126.5	0	0	111.9	L137 S138 E144 A145 F157	L137-E141 HydrophobicContact CB-CB 3.98Å; L137-E141 HydrophobicContact CD2-CB 4.15Å; L137-E141 HydrophobicContact CG-CB 4.49Å; S138-E141 WeakPolarHBondContact CB-OE2 3.46Å; S138-E141 PolarHBondContact N-OE2 2.71Å; S138-E141 PolarHBondContact O-N 3.02Å; S138-E141 WeakPolarHBondContact OG-CB 3.36Å; S138-E141 VanDerWaalsContact OG-CG 3.22Å; S138-E141 WeakPolarHBondContact OG-CG 3.38Å; S138-E141 PolarHBondContact OG-N 3.06Å; S138-E141 PolarHBondContact OG-OE2 2.9Å; E141-E144 PolarHBondContact O-N 2.94Å; E141-A145 VanDerWaalsContact O-CB 3.24Å; E141-A145 WeakPolarHBondContact O-CB 3.28Å; E141-A145 PolarHBondContact O-N 2.86Å; E141-F157 HydrophobicContact CB-CE2 3.97Å; E141-F157 HydrophobicContact CB-CZ 3.74Å; E141-F157 HydrophobicContact CG-CE2 4.06Å; E141-F157 HydrophobicContact CG-CZ 3.76Å
142	Q	96.4	Very high	94.3	Very high	3 Å²	3	64.2 Å²	64.2	1%	0.014	33%	0.327	C	S	.	.	H	α-helix	trans	-63.3	-41.4	174.1	-70.6	-179.8	54.5	0	0	111.4	N121 F124 F130 L137 S138 E139 D140 Q146	N121-Q142 PolarHBondContact O-NE2 2.87Å; F124-Q142 HydrophobicContact CD2-CB 4.32Å; F124-Q142 HydrophobicContact CE2-CB 4.36Å; F130-Q142 HydrophobicContact CE1-CB 4.46Å; F130-Q142 HydrophobicContact CE1-CG 4.24Å; F130-Q142 HydrophobicContact CZ-CB 4.13Å; F130-Q142 HydrophobicContact CZ-CG 4.39Å; F130-Q142 WeakPolarHBondContact CZ-O 3.41Å; L137-Q142 HydrophobicContact CB-CG 3.71Å; L137-Q142 HydrophobicContact CD1-CG 4.39Å; L137-Q142 PolarHBondContact O-NE2 2.74Å; S138-Q142 WeakPolarHBondContact O-CG 3.39Å; S138-Q142 PolarHBondContact O-N 3.27Å; E139-Q142 PolarHBondContact O-N 3.06Å; D140-Q142 VanDerWaalsContact C-N 3.33Å; D140-Q142 PolarHBondContact O-N 3.41Å; Q142-Q146 VanDerWaalsContact O-CB 3.25Å; Q142-Q146 WeakPolarHBondContact O-CB 3.49Å; Q142-Q146 PolarHBondContact O-N 3.2Å
143	K	97	Very high	94.6	Very high	93 Å²	93	58.5 Å²	58.5	40%	0.404	30%	0.297	S	S	.	.	H	α-helix	trans	-63.5	-45.4	175.5	-69.3	167.7	-163.3	155.5	0	111.7	L123 F124 E139 D140 Q146 A147	L123-K143 HydrophobicContact CD2-CD 4.23Å; L123-K143 HydrophobicContact CD2-CG 3.61Å; F124-K143 HydrophobicContact CE2-CG 4.19Å; F124-K143 HydrophobicContact CZ-CG 4.19Å; E139-K143 WeakPolarHBondContact O-CG 3.39Å; E139-K143 PolarHBondContact O-N 3.45Å; D140-K143 PolarHBondContact O-N 2.82Å; D140-K143 IonicContact OD1-NZ 3.94Å; D140-K143 PolarHBondContact OD1-NZ 2.95Å; K143-Q146 PolarHBondContact O-N 3.18Å; K143-A147 WeakPolarHBondContact O-CB 3.17Å; K143-A147 PolarHBondContact O-N 2.73Å
144	E	97.8	Very high	94.8	Very high	87 Å²	87	56.5 Å²	56.5	41%	0.407	29%	0.289	S	S	.	.	H	α-helix	trans	-61.2	-49.9	177.7	-171.4	-169.3	157.8	0	0	111.1	D140 E141 Q146 A147 L148 F157 R161	D140-E144 PolarHBondContact O-N 3.28Å; E141-E144 PolarHBondContact O-N 2.94Å; E144-Q146 VanDerWaalsContact C-N 3.34Å; E144-Q146 PolarHBondContact O-N 2.83Å; E144-A147 PolarHBondContact O-N 3.33Å; E144-L148 HydrophobicContact CG-CD1 4.17Å; E144-L148 WeakPolarHBondContact O-CB 3.31Å; E144-L148 WeakPolarHBondContact O-CG 3.34Å; E144-L148 PolarHBondContact O-N 2.47Å; E144-F157 HydrophobicContact CB-CD2 4.17Å; E144-F157 HydrophobicContact CB-CE2 4.33Å; E144-F157 HydrophobicContact CG-CD2 4Å; E144-F157 HydrophobicContact CG-CE2 4.4Å; E144-F157 WeakPolarHBondContact OE2-CE2 3.45Å; E144-R161 IonicContact OE2-NH2 3.45Å
145	A	97.4	Very high	95.2	Very high	0 Å²	0	56 Å²	56	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-61.5	-41.5	179.2	0	0	0	0	0	112.3	L129 F130 W133 E141 F149 F157	L129-A145 HydrophobicContact CD2-CB 4.13Å; L129-A145 WeakPolarHBondContact CD2-O 3.36Å; F130-A145 HydrophobicContact CE1-CB 4.19Å; F130-A145 HydrophobicContact CZ-CB 3.97Å; W133-A145 HydrophobicContact CH2-CB 4.27Å; W133-A145 HydrophobicContact CZ3-CB 4.12Å; E141-A145 VanDerWaalsContact O-CB 3.24Å; E141-A145 WeakPolarHBondContact O-CB 3.28Å; E141-A145 PolarHBondContact O-N 2.86Å; A145-F149 VanDerWaalsContact O-CB 3.3Å; A145-F149 WeakPolarHBondContact O-CB 3.47Å; A145-F149 PolarHBondContact O-N 2.98Å; A145-F157 HydrophobicContact CB-CB 3.7Å; A145-F157 HydrophobicContact CB-CD1 4.27Å; A145-F157 HydrophobicContact CB-CD2 4.05Å; A145-F157 HydrophobicContact CB-CG 3.76Å
146	Q	96.9	Very high	95.7	Very high	17 Å²	17	49.8 Å²	49.8	8%	0.079	26%	0.256	C	S	.	.	H	α-helix	trans	-63.5	-47.6	176	-177.2	59.7	27.3	0	0	111.9	F124 S127 F130 Q142 K143 E144 L148 F149 E150	F124-Q146 HydrophobicContact CD1-CG 3.99Å; F124-Q146 HydrophobicContact CD2-CB 3.92Å; F124-Q146 HydrophobicContact CD2-CG 4.15Å; F124-Q146 HydrophobicContact CE1-CB 4.48Å; F124-Q146 HydrophobicContact CE1-CG 3.97Å; F124-Q146 HydrophobicContact CE2-CB 3.76Å; F124-Q146 HydrophobicContact CE2-CG 4.13Å; F124-Q146 HydrophobicContact CG-CB 4.36Å; F124-Q146 HydrophobicContact CG-CG 4.08Å; F124-Q146 HydrophobicContact CZ-CB 4.06Å; F124-Q146 HydrophobicContact CZ-CG 4.04Å; S127-Q146 VanDerWaalsContact CB-OE1 3.23Å; S127-Q146 PolarHBondContact OG-OE1 2.84Å; F130-Q146 HydrophobicContact CE2-CB 4.08Å; F130-Q146 HydrophobicContact CZ-CB 4.41Å; Q142-Q146 VanDerWaalsContact O-CB 3.25Å; Q142-Q146 WeakPolarHBondContact O-CB 3.49Å; Q142-Q146 PolarHBondContact O-N 3.2Å; K143-Q146 PolarHBondContact O-N 3.18Å; E144-Q146 VanDerWaalsContact C-N 3.34Å; E144-Q146 PolarHBondContact O-N 2.83Å; Q146-L148 VanDerWaalsContact C-N 3.31Å; Q146-L148 PolarHBondContact O-N 3.41Å; Q146-F149 PolarHBondContact O-N 2.81Å; Q146-E150 PolarHBondContact NE2-OE1 2.88Å; Q146-E150 WeakPolarHBondContact O-CG 3.36Å; Q146-E150 PolarHBondContact O-N 3.48Å
147	A	96.9	Very high	96.2	Very high	57 Å²	57	42.7 Å²	42.7	47%	0.471	22%	0.217	S	C	.	.	H	α-helix	trans	-62.2	-40.3	-179.8	0	0	0	0	0	111.9	K143 E144 K151	K143-A147 WeakPolarHBondContact O-CB 3.17Å; K143-A147 PolarHBondContact O-N 2.73Å; E144-A147 PolarHBondContact O-N 3.33Å; A147-K151 WeakPolarHBondContact O-CB 3.46Å; A147-K151 PolarHBondContact O-N 3.07Å; A147-K151 VanDerWaalsContact O-N 3.09Å
148	L	96.8	Very high	96.4	Very high	33 Å²	33	43 Å²	43	17%	0.173	22%	0.219	C	C	.	.	H	α-helix	trans	-65.7	-43.2	173.9	-74.5	173.9	0	0	0	111.9	E144 Q146 E150 K151 Y152 V156 F157	E144-L148 HydrophobicContact CG-CD1 4.17Å; E144-L148 WeakPolarHBondContact O-CB 3.31Å; E144-L148 WeakPolarHBondContact O-CG 3.34Å; E144-L148 PolarHBondContact O-N 2.47Å; Q146-L148 VanDerWaalsContact C-N 3.31Å; Q146-L148 PolarHBondContact O-N 3.41Å; L148-E150 PolarHBondContact O-N 3.49Å; L148-K151 PolarHBondContact O-N 3.35Å; L148-Y152 HydrophobicContact CD2-CD2 4.31Å; L148-Y152 HydrophobicContact CD2-CE2 3.82Å; L148-Y152 VanDerWaalsContact O-CD2 3.26Å; L148-Y152 WeakPolarHBondContact O-CD2 3.49Å; L148-Y152 PolarHBondContact O-N 3.09Å; L148-V156 HydrophobicContact CB-CB 4.17Å; L148-V156 HydrophobicContact CD1-CB 4.36Å; L148-V156 HydrophobicContact CD1-CG1 4.33Å; L148-V156 HydrophobicContact CD2-CB 4.43Å; L148-V156 HydrophobicContact CD2-CG1 4.24Å; L148-F157 HydrophobicContact CD1-CB 3.98Å
149	F	96.3	Very high	96.5	Very high	6 Å²	6	40.3 Å²	40.3	3%	0.026	20%	0.2	C	C	.	.	H	α-helix	trans	-62	-43	176.9	172.5	-112	0	0	0	112.4	P128 L129 A145 Q146 K151 Y152 G153 F318 F419 H420	P128-F149 HydrophobicContact CB-CZ 4.44Å; L129-F149 HydrophobicContact CB-CD1 3.88Å; L129-F149 HydrophobicContact CB-CD2 4.32Å; L129-F149 HydrophobicContact CB-CE1 4.13Å; L129-F149 HydrophobicContact CB-CG 3.97Å; L129-F149 HydrophobicContact CB-CZ 4.46Å; L129-F149 HydrophobicContact CD1-CB 4.31Å; L129-F149 HydrophobicContact CD1-CD2 3.98Å; L129-F149 HydrophobicContact CD1-CG 4.15Å; L129-F149 HydrophobicContact CD2-CB 3.6Å; L129-F149 HydrophobicContact CD2-CD1 4.4Å; L129-F149 HydrophobicContact CD2-CG 3.99Å; L129-F149 HydrophobicContact CG-CB 4.36Å; L129-F149 HydrophobicContact CG-CG 4.26Å; A145-F149 VanDerWaalsContact O-CB 3.3Å; A145-F149 WeakPolarHBondContact O-CB 3.47Å; A145-F149 PolarHBondContact O-N 2.98Å; Q146-F149 PolarHBondContact O-N 2.81Å; F149-K151 VanDerWaalsContact C-N 3.29Å; F149-K151 PolarHBondContact O-N 2.81Å; F149-Y152 PolarHBondContact O-N 2.85Å; F149-G153 VanDerWaalsContact O-CA 3.29Å; F149-G153 WeakPolarHBondContact O-CA 3.34Å; F149-G153 PolarHBondContact O-N 3.45Å; F149-F318 AromaticContact CE2-CD2 3.62Å; F149-F318 HydrophobicContact CE2-CD2 3.62Å; F149-F318 HydrophobicContact CE2-CE2 4Å; F149-F318 HydrophobicContact CZ-CD2 4.21Å; F149-F318 HydrophobicContact CZ-CE2 4.14Å; F149-F419 HydrophobicContact CE2-CB 3.84Å; F149-F419 HydrophobicContact CE2-CG 4.32Å; F149-F419 HydrophobicContact CZ-CB 3.83Å; F149-F419 AromaticContact CZ-CD1 3.8Å; F149-F419 HydrophobicContact CZ-CD1 3.8Å; F149-F419 AromaticContact CZ-CG 3.8Å; F149-F419 HydrophobicContact CZ-CG 3.8Å; F149-H420 PolarHBondContact O-CE1 3.26Å; F149-H420 VanDerWaalsContact O-CE1 3.24Å
150	E	94.1	Very high	96.7	Very high	115 Å²	115	39.1 Å²	39.1	54%	0.537	20%	0.197	S	C	.	.	H	α-helix	trans	-61.4	-39.1	174.2	-73.5	173.9	-173.3	0	0	111.9	Q146 L148 H420	Q146-E150 PolarHBondContact NE2-OE1 2.88Å; Q146-E150 WeakPolarHBondContact O-CG 3.36Å; Q146-E150 PolarHBondContact O-N 3.48Å; L148-E150 PolarHBondContact O-N 3.49Å; E150-H420 PolarHBondContact O-NE2 3.09Å
151	K	93.9	Very high	96.8	Very high	101 Å²	101	40 Å²	40	44%	0.439	19%	0.192	S	C	.	.	H	α-helix	trans	-69.1	-39.5	179.3	-177.5	173.7	176.8	-177.2	0	113.6	A147 L148 F149 N230 P422	A147-K151 WeakPolarHBondContact O-CB 3.46Å; A147-K151 PolarHBondContact O-N 3.07Å; A147-K151 VanDerWaalsContact O-N 3.09Å; L148-K151 PolarHBondContact O-N 3.35Å; F149-K151 VanDerWaalsContact C-N 3.29Å; F149-K151 PolarHBondContact O-N 2.81Å; K151-N230 PolarHBondContact NZ-OD1 3.5Å; K151-P422 WeakPolarHBondContact O-CB 3.38Å
152	Y	94.7	Very high	96.8	Very high	13 Å²	13	39.1 Å²	39.1	5%	0.051	19%	0.189	C	C	.	.	H	α-helix	trans	-113.2	-21.5	-169.7	-63.8	-78.9	0	0	0	114.6	L148 F149 V156 N196 A198 R418	L148-Y152 HydrophobicContact CD2-CD2 4.31Å; L148-Y152 HydrophobicContact CD2-CE2 3.82Å; L148-Y152 VanDerWaalsContact O-CD2 3.26Å; L148-Y152 WeakPolarHBondContact O-CD2 3.49Å; L148-Y152 PolarHBondContact O-N 3.09Å; F149-Y152 PolarHBondContact O-N 2.85Å; Y152-V156 HydrophobicContact CD1-CG2 4.47Å; Y152-V156 HydrophobicContact CD2-CB 4.1Å; Y152-V156 HydrophobicContact CD2-CG1 4.48Å; Y152-V156 HydrophobicContact CD2-CG2 3.43Å; Y152-V156 VanDerWaalsContact CD2-CG2 3.43Å; Y152-V156 HydrophobicContact CE2-CB 4.48Å; Y152-V156 HydrophobicContact CE2-CG1 4.38Å; Y152-V156 HydrophobicContact CE2-CG2 4.07Å; Y152-V156 HydrophobicContact CG-CG2 3.66Å; Y152-N196 VanDerWaalsContact CE1-O 3.3Å; Y152-N196 WeakPolarHBondContact CE1-O 3.43Å; Y152-A198 HydrophobicContact CD1-CB 4.02Å; Y152-A198 HydrophobicContact CE1-CB 3.96Å; Y152-A198 HydrophobicContact CG-CB 4.38Å; Y152-R418 PolarHBondContact O-NH1 3.05Å
153	G	95.3	Very high	96.9	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.213	C	C	.	.	S	Bend	trans	83.4	13	-176	0	0	0	0	0	115	F149 F419 H420	F149-G153 VanDerWaalsContact O-CA 3.29Å; F149-G153 WeakPolarHBondContact O-CA 3.34Å; F149-G153 PolarHBondContact O-N 3.45Å; G153-F419 WeakPolarHBondContact O-CB 3.44Å; G153-F419 PolarHBondContact O-N 3.35Å; G153-H420 WeakPolarHBondContact CA-CE1 3.29Å
154	Y	96.9	Very high	96.9	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.206	C	C	.	.	S	Bend	trans	-161.5	172.5	173.9	54.4	-99.8	0	0	0	110.8	V156 E197 A198 I201 F318 I416 R418	Y154-V156 HydrophobicContact CD2-CG2 3.86Å; Y154-V156 HydrophobicContact CE2-CG2 3.41Å; Y154-V156 VanDerWaalsContact CE2-CG2 3.41Å; Y154-V156 PolarHBondContact O-N 2.87Å; Y154-E197 PolarHBondContact OH-OE1 2.92Å; Y154-A198 HydrophobicContact CE2-CB 4.28Å; Y154-I201 HydrophobicContact CE2-CD1 4.25Å; Y154-I201 HydrophobicContact CE2-CG1 3.68Å; Y154-F318 CarbonylContact C-O 3.54Å; Y154-F318 VanDerWaalsContact CA-O 3.27Å; Y154-F318 WeakPolarHBondContact CA-O 3.15Å; Y154-F318 WeakPolarHBondContact CB-O 3.08Å; Y154-I416 HydrophobicContact CD1-CG2 3.77Å; Y154-I416 HydrophobicContact CE1-CG2 4.37Å; Y154-I416 HydrophobicContact CG-CG2 3.88Å; Y154-R418 HydrophobicContact CD1-CG 3.98Å; Y154-R418 HydrophobicContact CE1-CG 4.26Å; Y154-R418 VanDerWaalsContact CE1-CZ 3.46Å; Y154-R418 VanDerWaalsContact CE1-NH1 3.31Å
155	N	97.6	Very high	96.9	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.212	C	C	.	.			trans	-77.2	78.4	-170.2	-164.7	-12.3	0	0	0	113.4	L129 W133 F157 L158 S159 F318 D319	L129-N155 HydrophobicContact CD1-CB 3.68Å; W133-N155 VanDerWaalsContact CD2-ND2 3.31Å; W133-N155 VanDerWaalsContact CE2-ND2 3.31Å; W133-N155 VanDerWaalsContact CE3-ND2 3.28Å; W133-N155 VanDerWaalsContact CH2-ND2 3.29Å; W133-N155 WeakPolarHBondContact CH2-ND2 3.04Å; W133-N155 VanDerWaalsContact CZ2-ND2 3.33Å; W133-N155 WeakPolarHBondContact CZ2-ND2 3.37Å; W133-N155 VanDerWaalsContact CZ3-ND2 3.26Å; W133-N155 WeakPolarHBondContact CZ3-ND2 3.41Å; N155-F157 VanDerWaalsContact C-N 3.29Å; N155-F157 PolarHBondContact O-N 3.49Å; N155-F157 WeakPolarHBondContact OD1-CB 3.37Å; N155-F157 PolarHBondContact OD1-N 3.45Å; N155-L158 HydrophobicContact CB-CB 4.24Å; N155-L158 VanDerWaalsContact CG-CB 3.45Å; N155-L158 WeakPolarHBondContact ND2-CB 3.45Å; N155-L158 PolarHBondContact O-N 3.43Å; N155-L158 WeakPolarHBondContact OD1-CB 3.47Å; N155-L158 PolarHBondContact OD1-N 3.48Å; N155-S159 PolarHBondContact O-N 2.83Å; N155-S159 VanDerWaalsContact O-N 3.09Å; N155-F318 WeakPolarHBondContact CB-O 3.11Å; N155-F318 PolarHBondContact N-O 2.79Å; N155-D319 WeakPolarHBondContact CB-O 3.35Å; N155-D319 PolarHBondContact ND2-O 3.22Å
156	V	97.9	Very high	96.8	Very high	4 Å²	4	42.7 Å²	42.7	2%	0.024	22%	0.217	C	C	.	.	H	α-helix	trans	-66.1	-33.4	174.1	175.4	0	0	0	0	111.9	L148 Y152 Y154 L158 S159 D160 A198	L148-V156 HydrophobicContact CB-CB 4.17Å; L148-V156 HydrophobicContact CD1-CB 4.36Å; L148-V156 HydrophobicContact CD1-CG1 4.33Å; L148-V156 HydrophobicContact CD2-CB 4.43Å; L148-V156 HydrophobicContact CD2-CG1 4.24Å; Y152-V156 HydrophobicContact CD1-CG2 4.47Å; Y152-V156 HydrophobicContact CD2-CB 4.1Å; Y152-V156 HydrophobicContact CD2-CG1 4.48Å; Y152-V156 HydrophobicContact CD2-CG2 3.43Å; Y152-V156 VanDerWaalsContact CD2-CG2 3.43Å; Y152-V156 HydrophobicContact CE2-CB 4.48Å; Y152-V156 HydrophobicContact CE2-CG1 4.38Å; Y152-V156 HydrophobicContact CE2-CG2 4.07Å; Y152-V156 HydrophobicContact CG-CG2 3.66Å; Y154-V156 HydrophobicContact CD2-CG2 3.86Å; Y154-V156 HydrophobicContact CE2-CG2 3.41Å; Y154-V156 VanDerWaalsContact CE2-CG2 3.41Å; Y154-V156 PolarHBondContact O-N 2.87Å; V156-L158 VanDerWaalsContact C-N 3.26Å; V156-L158 PolarHBondContact O-N 3.44Å; V156-S159 WeakPolarHBondContact O-CB 3.28Å; V156-S159 PolarHBondContact O-N 2.84Å; V156-D160 VanDerWaalsContact O-CG 3.24Å; V156-D160 PolarHBondContact O-N 3.44Å; V156-A198 HydrophobicContact CB-CB 4.45Å; V156-A198 HydrophobicContact CG1-CB 4Å; V156-A198 HydrophobicContact CG2-CB 3.52Å
157	F	98.3	Very high	96.8	Very high	5 Å²	5	47.7 Å²	47.7	2%	0.022	25%	0.251	C	S	.	.	H	α-helix	trans	-54.9	-44	176.9	177.4	-82.6	0	0	0	111.9	W133 L137 E141 E144 A145 L148 N155 R161	W133-F157 AromaticContact CH2-CD1 3.59Å; W133-F157 HydrophobicContact CH2-CD1 3.59Å; W133-F157 HydrophobicContact CH2-CE1 4.09Å; W133-F157 HydrophobicContact CH2-CG 4.45Å; W133-F157 HydrophobicContact CZ2-CD1 4.07Å; W133-F157 HydrophobicContact CZ2-CE1 4.43Å; L137-F157 HydrophobicContact CD2-CE1 3.86Å; L137-F157 HydrophobicContact CD2-CZ 4.16Å; E141-F157 HydrophobicContact CB-CE2 3.97Å; E141-F157 HydrophobicContact CB-CZ 3.74Å; E141-F157 HydrophobicContact CG-CE2 4.06Å; E141-F157 HydrophobicContact CG-CZ 3.76Å; E144-F157 HydrophobicContact CB-CD2 4.17Å; E144-F157 HydrophobicContact CB-CE2 4.33Å; E144-F157 HydrophobicContact CG-CD2 4Å; E144-F157 HydrophobicContact CG-CE2 4.4Å; E144-F157 WeakPolarHBondContact OE2-CE2 3.45Å; A145-F157 HydrophobicContact CB-CB 3.7Å; A145-F157 HydrophobicContact CB-CD1 4.27Å; A145-F157 HydrophobicContact CB-CD2 4.05Å; A145-F157 HydrophobicContact CB-CG 3.76Å; L148-F157 HydrophobicContact CD1-CB 3.98Å; N155-F157 VanDerWaalsContact C-N 3.29Å; N155-F157 PolarHBondContact O-N 3.49Å; N155-F157 WeakPolarHBondContact OD1-CB 3.37Å; N155-F157 PolarHBondContact OD1-N 3.45Å; F157-R161 WeakPolarHBondContact O-CD 3.34Å; F157-R161 PolarHBondContact O-NH1 3.28Å
158	L	97.8	Very high	96.8	Very high	30 Å²	30	46.6 Å²	46.6	16%	0.157	24%	0.237	C	C	.	.	H	α-helix	trans	-70.9	-44.9	173.6	-179.5	60.6	0	0	0	111.6	W133 N155 V156 D160 R161 L162 D320 L321	W133-L158 HydrophobicContact CZ2-CB 4.03Å; W133-L158 HydrophobicContact CZ2-CD1 4.46Å; N155-L158 HydrophobicContact CB-CB 4.24Å; N155-L158 VanDerWaalsContact CG-CB 3.45Å; N155-L158 WeakPolarHBondContact ND2-CB 3.45Å; N155-L158 PolarHBondContact O-N 3.43Å; N155-L158 WeakPolarHBondContact OD1-CB 3.47Å; N155-L158 PolarHBondContact OD1-N 3.48Å; V156-L158 VanDerWaalsContact C-N 3.26Å; V156-L158 PolarHBondContact O-N 3.44Å; L158-D160 VanDerWaalsContact C-N 3.25Å; L158-D160 PolarHBondContact O-N 2.81Å; L158-R161 PolarHBondContact O-N 2.79Å; L158-L162 HydrophobicContact CD1-CG 4.34Å; L158-L162 HydrophobicContact CG-CD1 4.11Å; L158-L162 HydrophobicContact CG-CG 4.29Å; L158-L162 WeakPolarHBondContact O-CG 3.36Å; L158-L162 PolarHBondContact O-N 2.78Å; L158-D320 WeakPolarHBondContact CD2-O 3.39Å; L158-L321 HydrophobicContact CB-CD1 4.21Å; L158-L321 HydrophobicContact CD2-CB 4.38Å; L158-L321 HydrophobicContact CD2-CD1 4.18Å; L158-L321 HydrophobicContact CD2-CG 4.18Å; L158-L321 HydrophobicContact CG-CD1 4.08Å
159	S	98.2	Very high	96.8	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-55.2	-40.4	179.3	177.4	0	0	0	0	112.8	N155 V156 R161 L162 S200 I201 R204	N155-S159 PolarHBondContact O-N 2.83Å; N155-S159 VanDerWaalsContact O-N 3.09Å; V156-S159 WeakPolarHBondContact O-CB 3.28Å; V156-S159 PolarHBondContact O-N 2.84Å; S159-R161 PolarHBondContact O-N 3.2Å; S159-L162 PolarHBondContact O-N 3.32Å; S159-S200 WeakPolarHBondContact CB-OG 3.43Å; S159-S200 WeakPolarHBondContact OG-CB 3.12Å; S159-S200 PolarHBondContact OG-OG 2.84Å; S159-I201 WeakPolarHBondContact OG-CD1 3.39Å; S159-R204 PolarHBondContact O-NH2 3.41Å
160	D	98.2	Very high	96.7	Very high	84 Å²	84	52.3 Å²	52.3	45%	0.449	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-20.5	179.4	-68.7	-13.6	0	0	0	112.7	V156 L158 S200	V156-D160 VanDerWaalsContact O-CG 3.24Å; V156-D160 PolarHBondContact O-N 3.44Å; L158-D160 VanDerWaalsContact C-N 3.25Å; L158-D160 PolarHBondContact O-N 2.81Å; D160-S200 WeakPolarHBondContact OD1-CB 3.49Å; D160-S200 PolarHBondContact OD1-OG 3.38Å
161	R	97.4	Very high	96.7	Very high	129 Å²	129	47.3 Å²	47.3	49%	0.487	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103	-1.5	-179.1	-66.7	166.9	174.5	71.4	-0.8	113.2	E144 F157 L158 S159	E144-R161 IonicContact OE2-NH2 3.45Å; F157-R161 WeakPolarHBondContact O-CD 3.34Å; F157-R161 PolarHBondContact O-NH1 3.28Å; L158-R161 PolarHBondContact O-N 2.79Å; S159-R161 PolarHBondContact O-N 3.2Å
162	L	97.5	Very high	96.7	Very high	45 Å²	45	44.6 Å²	44.6	24%	0.236	24%	0.236	C	C	.	.	S	Bend	trans	-95.2	138.2	178.3	-73.3	175.2	0	0	0	111.6	L158 S159 L164 R204 L321	L158-L162 HydrophobicContact CD1-CG 4.34Å; L158-L162 HydrophobicContact CG-CD1 4.11Å; L158-L162 HydrophobicContact CG-CG 4.29Å; L158-L162 WeakPolarHBondContact O-CG 3.36Å; L158-L162 PolarHBondContact O-N 2.78Å; S159-L162 PolarHBondContact O-N 3.32Å; L162-L164 PolarHBondContact O-N 2.77Å; L162-R204 PolarHBondContact O-NH2 3.41Å; L162-L321 HydrophobicContact CD1-CB 4.25Å; L162-L321 HydrophobicContact CD1-CD1 3.71Å
163	P	97.9	Very high	96.5	Very high	78 Å²	78	46 Å²	46	51%	0.506	24%	0.243	S	C	.	.			trans	-56.7	131.5	175.5	-21.7	31.5	0	0	0	111.3	D165 R166 R204	P163-D165 WeakPolarHBondContact CB-OD1 3.31Å; P163-D165 PolarHBondContact O-N 2.92Å; P163-D165 VanDerWaalsContact O-N 3.09Å; P163-R166 WeakPolarHBondContact O-CB 3.33Å; P163-R166 PolarHBondContact O-N 3.45Å; P163-R204 PolarHBondContact O-NH1 2.74Å
164	L	97.8	Very high	96.2	Very high	48 Å²	48	54.4 Å²	54.4	25%	0.251	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-21.1	-176.2	-63.7	177.2	0	0	0	113.7	L162 K203 R204 R207 Y240	L162-L164 PolarHBondContact O-N 2.77Å; L164-K203 HydrophobicContact CD1-CB 3.9Å; L164-K203 HydrophobicContact CD1-CD 4.25Å; L164-K203 HydrophobicContact CD2-CB 3.73Å; L164-K203 HydrophobicContact CG-CB 4.46Å; L164-R204 HydrophobicContact CD2-CB 4.22Å; L164-R204 WeakPolarHBondContact O-CG 3.42Å; L164-R207 HydrophobicContact CB-CB 4.41Å; L164-R207 HydrophobicContact CB-CG 4.45Å; L164-Y240 HydrophobicContact CD1-CE2 4.1Å
165	D	96.6	Very high	95.8	Very high	100 Å²	100	55.6 Å²	55.6	54%	0.535	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.3	20.3	-178.9	63.1	-25	0	0	0	112.9	P163 R207	P163-D165 WeakPolarHBondContact CB-OD1 3.31Å; P163-D165 PolarHBondContact O-N 2.92Å; P163-D165 VanDerWaalsContact O-N 3.09Å; D165-R207 HydrophobicContact CB-CG 4.25Å
166	R	96.6	Very high	95.7	Very high	32 Å²	32	55.9 Å²	55.9	12%	0.121	29%	0.294	C	S	.	.			trans	-48.9	141.4	-178.4	70.2	178.1	-173.2	157.2	3.2	112.4	P163 R212 E288 L321	P163-R166 WeakPolarHBondContact O-CB 3.33Å; P163-R166 PolarHBondContact O-N 3.45Å; R166-R212 PolarHBondContact O-NH2 2.82Å; R166-E288 WeakPolarHBondContact CG-OE2 3.22Å; R166-E288 IonicContact CZ-OE1 3.42Å; R166-E288 IonicContact NE-OE1 2.77Å; R166-E288 PolarHBondContact NE-OE1 2.83Å; R166-E288 IonicContact NE-OE2 2.81Å; R166-E288 PolarHBondContact NE-OE2 3.44Å; R166-E288 VanDerWaalsContact NE-OE2 3.12Å; R166-E288 IonicContact NH2-OE1 3.6Å; R166-E288 PolarHBondContact NH2-OE1 3.06Å; R166-L321 PolarHBondContact NH1-O 2.04Å; R166-L321 PolarHBondContact NH2-O 3.33Å
167	P	96.4	Very high	95.3	Very high	122 Å²	122	60.3 Å²	60.3	79%	0.792	32%	0.317	S	S	*	.			trans	-69.1	145.2	178	29.1	-34.9	0	0	0	111.1
168	L	96.9	Very high	94.9	Very high	33 Å²	33	68.8 Å²	68.8	17%	0.173	35%	0.354	C	S	.	.			trans	-104.9	144.5	170.8	-54.8	-175.4	0	0	0	110	R212 E288 V323 A414	L168-R212 VanDerWaalsContact CD1-NH1 3.26Å; L168-E288 HydrophobicContact CD1-CB 3.84Å; L168-E288 HydrophobicContact CD2-CB 4.23Å; L168-V323 HydrophobicContact CD2-CG2 3.91Å; L168-A414 HydrophobicContact CD1-CB 4.29Å
169	P	95.9	Very high	94.6	Very high	69 Å²	69	72.7 Å²	72.7	45%	0.448	37%	0.366	S	S	.	.			trans	-63.1	143	168.7	28.1	-33.5	0	0	0	110.4	T171 H290 V323	P169-T171 HydrophobicContact CG-CG2 4.24Å; P169-T171 PolarHBondContact O-N 3.35Å; P169-H290 PolarHBondContact O-CE1 3.39Å; P169-H290 PolarHBondContact O-ND1 2.97Å; P169-V323 HydrophobicContact CG-CB 3.93Å; P169-V323 HydrophobicContact CG-CG1 4.24Å
170	D	94.6	Very high	94.4	Very high	90 Å²	90	78.9 Å²	78.9	48%	0.481	41%	0.405	S	S	.	.			trans	-78.6	104.9	171.3	-170.4	-3.5	0	0	0	110	R172 L177	D170-R172 WeakPolarHBondContact OD1-CB 3.31Å; D170-R172 WeakPolarHBondContact OD1-CG 3.46Å; D170-R172 IonicContact OD1-CZ 2.67Å; D170-R172 PolarHBondContact OD1-N 2.86Å; D170-R172 VanDerWaalsContact OD1-N 3.13Å; D170-R172 IonicContact OD1-NE 3.41Å; D170-R172 PolarHBondContact OD1-NE 2.76Å; D170-R172 IonicContact OD1-NH2 2.79Å; D170-R172 IonicContact OD2-CZ 3.62Å; D170-R172 IonicContact OD2-NE 2.8Å; D170-R172 PolarHBondContact OD2-NE 3.25Å; D170-R172 IonicContact OD2-NH2 3.66Å; D170-R172 PolarHBondContact OD2-NH2 3.26Å; D170-L177 WeakPolarHBondContact OD2-CD2 3.32Å
171	T	95.4	Very high	94.3	Very high	10 Å²	10	77.6 Å²	77.6	6%	0.061	39%	0.394	C	S	.	.			trans	-101.3	6.5	-176.3	53.3	0	0	0	0	112.7	P169 H290 D314 Q325	P169-T171 HydrophobicContact CG-CG2 4.24Å; P169-T171 PolarHBondContact O-N 3.35Å; T171-H290 PolarHBondContact OG1-CE1 3.5Å; T171-D314 WeakPolarHBondContact CB-OD2 3.32Å; T171-D314 WeakPolarHBondContact CG2-OD2 3.36Å; T171-D314 PolarHBondContact OG1-OD2 3.04Å; T171-Q325 HydrophobicContact CG2-CB 3.97Å; T171-Q325 HydrophobicContact CG2-CG 4.43Å; T171-Q325 PolarHBondContact O-NE2 2.86Å
172	R	94	Very high	94.2	Very high	44 Å²	44	77.4 Å²	77.4	17%	0.166	40%	0.398	C	S	.	.			trans	-68.4	146.6	-178.8	-65	173	-62.1	-177.2	7.2	110.3	D170 C176 L177 E291 K412	D170-R172 WeakPolarHBondContact OD1-CB 3.31Å; D170-R172 WeakPolarHBondContact OD1-CG 3.46Å; D170-R172 IonicContact OD1-CZ 2.67Å; D170-R172 PolarHBondContact OD1-N 2.86Å; D170-R172 VanDerWaalsContact OD1-N 3.13Å; D170-R172 IonicContact OD1-NE 3.41Å; D170-R172 PolarHBondContact OD1-NE 2.76Å; D170-R172 IonicContact OD1-NH2 2.79Å; D170-R172 IonicContact OD2-CZ 3.62Å; D170-R172 IonicContact OD2-NE 2.8Å; D170-R172 PolarHBondContact OD2-NE 3.25Å; D170-R172 IonicContact OD2-NH2 3.66Å; D170-R172 PolarHBondContact OD2-NH2 3.26Å; R172-C176 HydrophobicContact CB-CB 4.16Å; R172-L177 HydrophobicContact CB-CD2 4.34Å; R172-E291 PolarHBondContact NH1-O 3.19Å; R172-K412 HydrophobicContact CG-CG 3.83Å
173	E	88.6	Confident	94	Very high	42 Å²	42	84.1 Å²	84.1	20%	0.196	43%	0.426	C	S	.	.			trans	-59.3	146	173.4	-72.1	-65.2	152.2	0	0	111.2	G175 C176 P328 S354	E173-G175 PolarHBondContact O-N 3.39Å; E173-C176 VanDerWaalsContact O-CB 3.26Å; E173-C176 WeakPolarHBondContact O-CB 3.33Å; E173-C176 PolarHBondContact O-N 2.82Å; E173-P328 HydrophobicContact CG-CG 4.4Å; E173-S354 PolarHBondContact OE2-OG 3.02Å
174	K	89.5	Confident	93.9	Very high	178 Å²	178	86.3 Å²	86.3	77%	0.774	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-31.7	-177.1	-67.3	-177.4	-178.2	177.3	0	113.3	C176 L177	K174-C176 VanDerWaalsContact C-N 3.3Å; K174-C176 PolarHBondContact O-N 3.03Å; K174-L177 PolarHBondContact O-N 2.92Å
175	G	89.9	Confident	93.9	Very high	24 Å²	24	84.6 Å²	84.6	25%	0.247	42%	0.424	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-32.7	176.2	0	0	0	0	0	113.1	E173 K178	E173-G175 PolarHBondContact O-N 3.39Å; G175-K178 PolarHBondContact O-N 2.81Å
176	C	94.3	Very high	94	Very high	7 Å²	7	81.1 Å²	81.1	5%	0.047	41%	0.407	C	S	.	.	G	3₁₀ helix	trans	-70.2	-32	180	-64.8	0	0	0	0	112.9	R172 E173 K174 K178 R179 C410	R172-C176 HydrophobicContact CB-CB 4.16Å; E173-C176 VanDerWaalsContact O-CB 3.26Å; E173-C176 WeakPolarHBondContact O-CB 3.33Å; E173-C176 PolarHBondContact O-N 2.82Å; K174-C176 VanDerWaalsContact C-N 3.3Å; K174-C176 PolarHBondContact O-N 3.03Å; C176-K178 PolarHBondContact O-N 3.37Å; C176-K178 VanDerWaalsContact O-N 3.1Å; C176-R179 WeakPolarHBondContact O-CB 3.42Å; C176-R179 PolarHBondContact O-N 2.92Å; C176-C410 WeakPolarHBondContact CA-SG 3.44Å; C176-C410 HydrophobicContact CB-CB 3.6Å; C176-C410 WeakPolarHBondContact CB-SG 3.5Å; C176-C410 WeakPolarHBondContact SG-CA 3.23Å; C176-C410 WeakPolarHBondContact SG-CB 3.38Å; C176-C410 CovalentContact SG-SG 2.04Å; C176-C410 PolarHBondContact SG-SG 3.04Å
177	L	90.5	Very high	94.1	Very high	97 Å²	97	81.2 Å²	81.2	51%	0.508	41%	0.411	S	S	.	.	G	3₁₀ helix	trans	-63.6	-17.4	179	-56.5	179.7	0	0	0	113.3	D170 R172 K174	D170-L177 WeakPolarHBondContact OD2-CD2 3.32Å; R172-L177 HydrophobicContact CB-CD2 4.34Å; K174-L177 PolarHBondContact O-N 2.92Å
178	K	89.9	Confident	94.2	Very high	182 Å²	182	75.5 Å²	75.5	79%	0.791	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-100.3	-2.8	179.3	-59.7	179.4	-177.9	179.1	0	113	G175 C176	G175-K178 PolarHBondContact O-N 2.81Å; C176-K178 PolarHBondContact O-N 3.37Å; C176-K178 VanDerWaalsContact O-N 3.1Å
179	R	91.5	Very high	94.3	Very high	112 Å²	112	73.9 Å²	73.9	42%	0.423	37%	0.366	S	S	.	.			trans	-80.8	138.5	-179	-69.3	-75.3	-175.6	172	-2.9	110	C176 Y181 D353 S355	C176-R179 WeakPolarHBondContact O-CB 3.42Å; C176-R179 PolarHBondContact O-N 2.92Å; R179-Y181 HydrophobicContact CB-CE1 4.45Å; R179-Y181 HydrophobicContact CB-CE2 4.24Å; R179-D353 IonicContact NH2-OD2 3.67Å; R179-D353 PolarHBondContact NH2-OD2 3.18Å; R179-S355 PolarHBondContact NE-OG 2.94Å; R179-S355 PolarHBondContact NH2-OG 3.44Å
180	T	93.6	Very high	94.4	Very high	131 Å²	131	70.6 Å²	70.6	80%	0.804	34%	0.344	S	S	*	.			trans	-117	142	170.2	55.5	0	0	0	0	108.7
181	Y	95.8	Very high	94.6	Very high	57 Å²	57	66.3 Å²	66.3	22%	0.224	32%	0.321	C	S	.	.			trans	-113.4	152.7	-179.1	-55.1	-76.8	0	0	0	110.3	R179 E295 P296 T299 C410	R179-Y181 HydrophobicContact CB-CE1 4.45Å; R179-Y181 HydrophobicContact CB-CE2 4.24Å; Y181-E295 HydrophobicContact CD1-CB 4.47Å; Y181-E295 HydrophobicContact CD2-CB 3.79Å; Y181-E295 HydrophobicContact CG-CB 3.77Å; Y181-P296 HydrophobicContact CE1-CB 3.86Å; Y181-P296 HydrophobicContact CE1-CG 4.05Å; Y181-P296 HydrophobicContact CE2-CG 3.96Å; Y181-P296 WeakPolarHBondContact OH-CG 3.37Å; Y181-T299 WeakPolarHBondContact CD1-OG1 3.43Å; Y181-C410 WeakPolarHBondContact OH-CB 3.46Å
182	E	94.6	Very high	94.7	Very high	124 Å²	124	65.9 Å²	65.9	58%	0.579	32%	0.319	S	S	*	.			trans	-63.8	150.5	173.8	-66.2	-178.5	-172.9	0	0	110.4	L185 K302	E182-L185 WeakPolarHBondContact O-CD1 3.5Å; E182-L185 WeakPolarHBondContact O-CG 3.44Å; E182-K302 IonicContact OE2-NZ 2.74Å; E182-K302 PolarHBondContact OE2-NZ 3.03Å
183	K	93.2	Very high	94.8	Very high	186 Å²	186	64.6 Å²	64.6	81%	0.809	32%	0.315	S	S	*	.	S	Bend	trans	-80.9	-28.5	175.3	-65.5	-174.9	177.9	-178.2	0	112.7	L185 H216	K183-L185 VanDerWaalsContact C-N 3.3Å; K183-L185 PolarHBondContact O-N 2.92Å; K183-L185 VanDerWaalsContact O-N 3.1Å; K183-H216 PolarHBondContact O-NE2 3.23Å
184	D	95.8	Very high	95.1	Very high	124 Å²	124	62.8 Å²	62.8	66%	0.663	31%	0.306	S	S	*	.			trans	-84.7	72.3	178.9	177.9	43.6	0	0	0	109.5	K302	D184-K302 WeakPolarHBondContact O-CE 3.43Å; D184-K302 PolarHBondContact O-NZ 3.32Å; D184-K302 IonicContact OD2-NZ 3.36Å; D184-K302 PolarHBondContact OD2-NZ 3.19Å
185	L	98.4	Very high	95.4	Very high	13 Å²	13	56.1 Å²	56.1	7%	0.068	28%	0.279	C	S	.	.			trans	-104.8	151.7	175.9	-69.2	172.3	0	0	0	110.2	E182 K183 L217 E295 L298 K302	E182-L185 WeakPolarHBondContact O-CD1 3.5Å; E182-L185 WeakPolarHBondContact O-CG 3.44Å; K183-L185 VanDerWaalsContact C-N 3.3Å; K183-L185 PolarHBondContact O-N 2.92Å; K183-L185 VanDerWaalsContact O-N 3.1Å; L185-L217 HydrophobicContact CB-CD2 3.69Å; L185-L217 HydrophobicContact CD1-CD1 4.43Å; L185-E295 HydrophobicContact CD1-CB 3.85Å; L185-E295 HydrophobicContact CD1-CG 4.04Å; L185-L298 HydrophobicContact CB-CB 4.2Å; L185-L298 HydrophobicContact CB-CD1 4.39Å; L185-L298 HydrophobicContact CD1-CB 4.25Å; L185-L298 HydrophobicContact CD2-CB 4.35Å; L185-K302 HydrophobicContact CD2-CD 4.11Å
186	P	98.4	Very high	95.6	Very high	27 Å²	27	57.3 Å²	57.3	18%	0.175	28%	0.28	C	S	.	.			trans	-60.2	150	177.7	24.9	-34	0	0	0	111.7	D278 V279 L298	P186-D278 HydrophobicContact CB-CB 3.82Å; P186-V279 HydrophobicContact CB-CG2 4.02Å; P186-V279 HydrophobicContact CG-CG2 3.89Å; P186-L298 HydrophobicContact CG-CB 4.3Å; P186-L298 HydrophobicContact CG-CD2 4.21Å
187	T	98.6	Very high	95.7	Very high	33 Å²	33	57.2 Å²	57.2	20%	0.202	28%	0.279	C	S	.	.			trans	-68.9	144.9	177.2	60.7	0	0	0	0	111.4	L217 D278 V279	T187-L217 CarbonylContact C-O 3.56Å; T187-L217 WeakPolarHBondContact CA-O 3.49Å; T187-D278 PolarHBondContact N-OD2 3.02Å; T187-D278 PolarHBondContact O-N 3.22Å; T187-D278 PolarHBondContact OG1-N 3.22Å; T187-D278 PolarHBondContact OG1-OD2 3.49Å; T187-V279 PolarHBondContact O-N 3.44Å
188	V	98.8	Very high	96	Very high	2 Å²	2	52.6 Å²	52.6	1%	0.012	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	133.2	178.5	66.5	0	0	0	0	111.5	V190 T213 L217 L218 K219 V279 A281 L298	V188-V190 HydrophobicContact CG2-CG2 4.44Å; V188-T213 HydrophobicContact CG1-CG2 4.37Å; V188-L217 PolarHBondContact N-O 3.06Å; V188-L218 HydrophobicContact CG1-CD1 4.46Å; V188-K219 PolarHBondContact O-N 3.49Å; V188-V279 WeakPolarHBondContact CA-O 3.49Å; V188-V279 HydrophobicContact CG2-CG1 4.33Å; V188-A281 HydrophobicContact CG2-CB 3.79Å; V188-L298 HydrophobicContact CB-CD1 4.42Å; V188-L298 HydrophobicContact CB-CD2 4.11Å; V188-L298 HydrophobicContact CG1-CD1 4.49Å; V188-L298 HydrophobicContact CG2-CD2 4.5Å
189	G	98.8	Very high	96.4	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	123.6	167.6	0	0	0	0	0	109.3	E220 V279 V280 A281	G189-E220 WeakPolarHBondContact CA-O 3.33Å; G189-V279 PolarHBondContact N-O 3.08Å; G189-V280 WeakPolarHBondContact O-CA 3.25Å; G189-A281 PolarHBondContact O-N 3.26Å
190	V	98.8	Very high	96.7	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	118.8	-176.5	-176.9	0	0	0	0	110.1	V188 L192 I209 L218 E220 I221 I222 A281 L283 W293	V188-V190 HydrophobicContact CG2-CG2 4.44Å; V190-L192 HydrophobicContact CG1-CG 4.39Å; V190-I209 HydrophobicContact CB-CG2 4.36Å; V190-I209 HydrophobicContact CG1-CD1 3.8Å; V190-I209 HydrophobicContact CG1-CG1 4.48Å; V190-I209 HydrophobicContact CG1-CG2 4.45Å; V190-I209 HydrophobicContact CG2-CG2 3.94Å; V190-L218 HydrophobicContact CG2-CD1 3.78Å; V190-E220 PolarHBondContact N-O 2.76Å; V190-I221 HydrophobicContact CB-CG1 4.48Å; V190-I221 CarbonylContact O-C 3.5Å; V190-I221 WeakPolarHBondContact O-CA 3.46Å; V190-I222 PolarHBondContact O-N 3.5Å; V190-A281 CarbonylContact C-O 3.55Å; V190-A281 WeakPolarHBondContact CA-O 3.49Å; V190-A281 HydrophobicContact CG2-CB 4.35Å; V190-L283 HydrophobicContact CG1-CD1 3.55Å; V190-L283 HydrophobicContact CG1-CG 3.88Å; V190-W293 HydrophobicContact CG2-CH2 4.28Å; V190-W293 HydrophobicContact CG2-CZ2 4.3Å
191	V	98.8	Very high	96.9	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	118.1	175.9	178.6	0	0	0	0	108.9	I193 I222 V224 A281 I282 L283	V191-I193 HydrophobicContact CG1-CD1 4.2Å; V191-I193 HydrophobicContact CG1-CG1 4.11Å; V191-I222 CarbonylContact C-O 3.59Å; V191-I222 WeakPolarHBondContact CA-O 3.23Å; V191-I222 HydrophobicContact CG2-CB 4.23Å; V191-I222 HydrophobicContact CG2-CD1 3.98Å; V191-V224 HydrophobicContact CG1-CG2 4.01Å; V191-A281 PolarHBondContact N-O 2.85Å; V191-I282 HydrophobicContact CB-CG1 4.21Å; V191-I282 HydrophobicContact CG2-CG1 4.45Å; V191-L283 PolarHBondContact O-N 3.47Å
192	L	98.1	Very high	97	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	122.7	173.2	-70.5	173	0	0	0	109.9	V190 L206 I209 I221 I222 M223 V224 L283 D284	V190-L192 HydrophobicContact CG1-CG 4.39Å; L192-L206 HydrophobicContact CD1-CD2 3.81Å; L192-L206 HydrophobicContact CD1-CG 4.31Å; L192-I209 HydrophobicContact CD1-CD1 3.78Å; L192-I209 HydrophobicContact CD2-CD1 4.07Å; L192-I209 HydrophobicContact CG-CD1 4.18Å; L192-I221 HydrophobicContact CD1-CG2 4.27Å; L192-I222 PolarHBondContact N-O 3.08Å; L192-M223 WeakPolarHBondContact O-CA 3.34Å; L192-V224 PolarHBondContact O-N 2.94Å; L192-L283 HydrophobicContact CD2-CB 3.89Å; L192-D284 WeakPolarHBondContact CD2-O 3.45Å
193	I	95.6	Very high	97.2	Very high	18 Å²	18	27.8 Å²	27.8	9%	0.092	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	133.8	179.3	-61.4	141.3	0	0	0	109.2	V191 V224 L264 A267 R268 I282 A285	V191-I193 HydrophobicContact CG1-CD1 4.2Å; V191-I193 HydrophobicContact CG1-CG1 4.11Å; I193-V224 WeakPolarHBondContact CA-O 3.41Å; I193-V224 HydrophobicContact CB-CB 4.49Å; I193-V224 HydrophobicContact CG1-CB 3.88Å; I193-V224 HydrophobicContact CG1-CG1 4.5Å; I193-V224 HydrophobicContact CG1-CG2 4.17Å; I193-L264 HydrophobicContact CG2-CD1 4.36Å; I193-A267 HydrophobicContact CG1-CB 4.25Å; I193-A267 HydrophobicContact CG2-CB 3.52Å; I193-R268 HydrophobicContact CD1-CB 3.88Å; I193-R268 HydrophobicContact CD1-CG 3.15Å; I193-I282 HydrophobicContact CD1-CG2 4.02Å; I193-A285 WeakPolarHBondContact O-CB 3.5Å
194	Y	95.4	Very high	97.4	Very high	3 Å²	3	19.1 Å²	19.1	1%	0.012	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	148	-179.6	64	-85.1	0	0	0	112	L202 M223 V224 D225 D226 L233 L237 R255	Y194-L202 HydrophobicContact CD1-CD1 4.46Å; Y194-L202 HydrophobicContact CD1-CD2 4.15Å; Y194-L202 HydrophobicContact CD2-CD2 4.3Å; Y194-L202 HydrophobicContact CE1-CD2 4.36Å; Y194-L202 HydrophobicContact CE2-CD2 4.49Å; Y194-L202 HydrophobicContact CG-CD2 4.12Å; Y194-M223 HydrophobicContact CE1-CB 4.14Å; Y194-M223 HydrophobicContact CE1-CE 4.42Å; Y194-V224 VanDerWaalsContact CD1-O 3.29Å; Y194-V224 WeakPolarHBondContact CD1-O 3.28Å; Y194-V224 PolarHBondContact N-O 3.46Å; Y194-D225 HydrophobicContact CE1-CB 4.2Å; Y194-D225 HydrophobicContact CE2-CB 3.78Å; Y194-D225 VanDerWaalsContact CE2-CG 3.46Å; Y194-D225 WeakPolarHBondContact OH-CB 3.34Å; Y194-D226 PolarHBondContact O-N 2.73Å; Y194-L233 HydrophobicContact CD2-CD1 4.05Å; Y194-L233 HydrophobicContact CE2-CB 4.42Å; Y194-L233 HydrophobicContact CE2-CD1 4.24Å; Y194-L237 HydrophobicContact CE2-CD2 4.46Å; Y194-R255 PolarHBondContact OH-NH1 3.45Å
195	L	94.2	Very high	97.6	Very high	39 Å²	39	13.2 Å²	13.2	20%	0.204	7%	0.071	C	C	.	.	S	Bend	trans	-140.4	110.6	170	171.3	62.4	0	0	0	106.8	E197 D226 Q261	L195-E197 PolarHBondContact O-N 3.13Å; L195-D226 WeakPolarHBondContact CD1-O 3.29Å; L195-Q261 HydrophobicContact CD2-CG 4.21Å; L195-Q261 VanDerWaalsContact CD2-NE2 3.28Å
196	N	94.8	Very high	97.6	Very high	48 Å²	48	12.6 Å²	12.6	26%	0.257	7%	0.067	S	C	.	.	S	Bend	trans	53.2	36.1	-179.6	-70.8	-29.4	0	0	0	114.1	Y152 S228 S229 N230	Y152-N196 VanDerWaalsContact CE1-O 3.3Å; Y152-N196 WeakPolarHBondContact CE1-O 3.43Å; N196-S228 PolarHBondContact N-OG 3.24Å; N196-S228 WeakPolarHBondContact OD1-CA 3.49Å; N196-S229 PolarHBondContact ND2-OG 3.24Å; N196-S229 PolarHBondContact OD1-N 3.37Å; N196-S229 PolarHBondContact OD1-OG 3.45Å; N196-S229 VanDerWaalsContact OD1-OG 3.1Å; N196-N230 PolarHBondContact O-ND2 2.84Å; N196-N230 PolarHBondContact OD1-N 3.09Å; N196-N230 VanDerWaalsContact OD1-N 3.08Å
197	E	96.3	Very high	97.6	Very high	6 Å²	6	14.2 Å²	14.2	3%	0.028	7%	0.07	C	C	.	.			trans	-68.7	152.6	178.4	-163.1	64	-80.6	0	0	112	Y154 L195 L199 I201 L202 L233 A285 H286 R418	Y154-E197 PolarHBondContact OH-OE1 2.92Å; L195-E197 PolarHBondContact O-N 3.13Å; E197-L199 PolarHBondContact O-N 3.46Å; E197-I201 HydrophobicContact CG-CG2 4.41Å; E197-L202 HydrophobicContact CG-CB 4.45Å; E197-L233 WeakPolarHBondContact O-CD1 3.39Å; E197-A285 HydrophobicContact CB-CB 4.49Å; E197-A285 HydrophobicContact CG-CB 3.87Å; E197-H286 IonicContact OE2-CE1 3.49Å; E197-H286 IonicContact OE2-CG 3.51Å; E197-H286 IonicContact OE2-ND1 2.73Å; E197-H286 PolarHBondContact OE2-ND1 2.82Å; E197-R418 IonicContact OE1-CZ 3.78Å; E197-R418 IonicContact OE1-NH1 3.82Å; E197-R418 IonicContact OE1-NH2 2.79Å; E197-R418 PolarHBondContact OE1-NH2 3.23Å; E197-R418 IonicContact OE2-NH2 2.71Å; E197-R418 PolarHBondContact OE2-NH2 2.85Å
198	A	97.1	Very high	97.6	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	6%	0.061	C	C	.	.			trans	-67.3	132.5	173.3	0	0	0	0	0	110.8	Y152 Y154 V156 S200 I201 L202	Y152-A198 HydrophobicContact CD1-CB 4.02Å; Y152-A198 HydrophobicContact CE1-CB 3.96Å; Y152-A198 HydrophobicContact CG-CB 4.38Å; Y154-A198 HydrophobicContact CE2-CB 4.28Å; V156-A198 HydrophobicContact CB-CB 4.45Å; V156-A198 HydrophobicContact CG1-CB 4Å; V156-A198 HydrophobicContact CG2-CB 3.52Å; A198-S200 PolarHBondContact O-N 2.78Å; A198-I201 HydrophobicContact CB-CB 4.18Å; A198-I201 HydrophobicContact CB-CG1 3.94Å; A198-I201 WeakPolarHBondContact O-CB 3.18Å; A198-I201 PolarHBondContact O-N 3.04Å; A198-I201 VanDerWaalsContact O-N 3.15Å; A198-L202 PolarHBondContact O-N 2.97Å
199	L	97.7	Very high	97.6	Very high	23 Å²	23	12.6 Å²	12.6	12%	0.12	6%	0.06	C	C	.	.	H	α-helix	trans	-59.9	-45.7	-174.5	-178.6	62.5	0	0	0	112.3	E197 I201 L202 K203 N232 L233 D236 L237	E197-L199 PolarHBondContact O-N 3.46Å; L199-I201 VanDerWaalsContact C-N 3.26Å; L199-I201 PolarHBondContact O-N 2.85Å; L199-L202 PolarHBondContact O-N 2.75Å; L199-K203 HydrophobicContact CD1-CD 4.32Å; L199-K203 HydrophobicContact CD1-CG 4.13Å; L199-K203 HydrophobicContact CG-CD 4.11Å; L199-K203 HydrophobicContact CG-CG 4.3Å; L199-K203 WeakPolarHBondContact O-CB 3.15Å; L199-K203 VanDerWaalsContact O-CG 3.23Å; L199-K203 WeakPolarHBondContact O-CG 3.35Å; L199-K203 PolarHBondContact O-N 2.85Å; L199-N232 HydrophobicContact CD2-CB 4.2Å; L199-L233 HydrophobicContact CD1-CD2 4.22Å; L199-D236 HydrophobicContact CD2-CB 3.96Å; L199-L237 HydrophobicContact CD1-CB 3.87Å; L199-L237 HydrophobicContact CD1-CD1 3.91Å; L199-L237 HydrophobicContact CD1-CG 4.37Å
200	S	98.2	Very high	97.5	Very high	11 Å²	11	13.3 Å²	13.3	8%	0.077	6%	0.064	C	C	.	.	H	α-helix	trans	-60.5	-35.4	178.6	54.6	0	0	0	0	112.8	S159 D160 A198 R204	S159-S200 WeakPolarHBondContact CB-OG 3.43Å; S159-S200 WeakPolarHBondContact OG-CB 3.12Å; S159-S200 PolarHBondContact OG-OG 2.84Å; D160-S200 WeakPolarHBondContact OD1-CB 3.49Å; D160-S200 PolarHBondContact OD1-OG 3.38Å; A198-S200 PolarHBondContact O-N 2.78Å; S200-R204 WeakPolarHBondContact O-CB 3.35Å; S200-R204 PolarHBondContact O-N 2.93Å
201	I	97.9	Very high	97.5	Very high	4 Å²	4	16.5 Å²	16.5	2%	0.021	8%	0.081	C	C	.	.	H	α-helix	trans	-69.4	-48.5	177.2	-65.7	-60.8	0	0	0	111.5	Y154 S159 E197 A198 L199 K203 R204 A205 H286 I416	Y154-I201 HydrophobicContact CE2-CD1 4.25Å; Y154-I201 HydrophobicContact CE2-CG1 3.68Å; S159-I201 WeakPolarHBondContact OG-CD1 3.39Å; E197-I201 HydrophobicContact CG-CG2 4.41Å; A198-I201 HydrophobicContact CB-CB 4.18Å; A198-I201 HydrophobicContact CB-CG1 3.94Å; A198-I201 WeakPolarHBondContact O-CB 3.18Å; A198-I201 PolarHBondContact O-N 3.04Å; A198-I201 VanDerWaalsContact O-N 3.15Å; L199-I201 VanDerWaalsContact C-N 3.26Å; L199-I201 PolarHBondContact O-N 2.85Å; I201-K203 VanDerWaalsContact C-N 3.32Å; I201-K203 PolarHBondContact O-N 3.21Å; I201-R204 WeakPolarHBondContact O-CB 3.47Å; I201-R204 PolarHBondContact O-N 3.27Å; I201-A205 PolarHBondContact O-N 2.64Å; I201-H286 VanDerWaalsContact CG2-CA 3.45Å; I201-H286 HydrophobicContact CG2-CB 3.52Å; I201-I416 HydrophobicContact CD1-CD1 3.52Å; I201-I416 HydrophobicContact CG1-CD1 4.34Å; I201-I416 HydrophobicContact CG2-CD1 4.29Å
202	L	97.9	Very high	97.5	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-63.8	-39.1	178.5	-177	60.2	0	0	0	111.8	Y194 E197 A198 L199 A205 L206 M223 L233 L237 A285	Y194-L202 HydrophobicContact CD1-CD1 4.46Å; Y194-L202 HydrophobicContact CD1-CD2 4.15Å; Y194-L202 HydrophobicContact CD2-CD2 4.3Å; Y194-L202 HydrophobicContact CE1-CD2 4.36Å; Y194-L202 HydrophobicContact CE2-CD2 4.49Å; Y194-L202 HydrophobicContact CG-CD2 4.12Å; E197-L202 HydrophobicContact CG-CB 4.45Å; A198-L202 PolarHBondContact O-N 2.97Å; L199-L202 PolarHBondContact O-N 2.75Å; L202-A205 PolarHBondContact O-N 3.44Å; L202-L206 WeakPolarHBondContact O-CG 3.34Å; L202-L206 PolarHBondContact O-N 2.98Å; L202-L206 VanDerWaalsContact O-N 3.09Å; L202-M223 HydrophobicContact CD1-CE 3.89Å; L202-M223 HydrophobicContact CD2-CE 3.87Å; L202-M223 HydrophobicContact CG-CE 3.93Å; L202-L233 HydrophobicContact CD2-CD2 4.18Å; L202-L237 HydrophobicContact CD2-CD1 3.93Å; L202-L237 HydrophobicContact CD2-CD2 3.53Å; L202-L237 HydrophobicContact CD2-CG 4.39Å; L202-L237 HydrophobicContact CG-CD1 4.36Å; L202-A285 HydrophobicContact CD1-CB 3.99Å
203	K	98.4	Very high	97.5	Very high	46 Å²	46	18 Å²	18	20%	0.2	9%	0.088	C	C	.	.	H	α-helix	trans	-61.2	-43.7	173.8	-72	-173.5	173.5	179.6	0	111.8	L164 L199 I201 L206 R207 Y240	L164-K203 HydrophobicContact CD1-CB 3.9Å; L164-K203 HydrophobicContact CD1-CD 4.25Å; L164-K203 HydrophobicContact CD2-CB 3.73Å; L164-K203 HydrophobicContact CG-CB 4.46Å; L199-K203 HydrophobicContact CD1-CD 4.32Å; L199-K203 HydrophobicContact CD1-CG 4.13Å; L199-K203 HydrophobicContact CG-CD 4.11Å; L199-K203 HydrophobicContact CG-CG 4.3Å; L199-K203 WeakPolarHBondContact O-CB 3.15Å; L199-K203 VanDerWaalsContact O-CG 3.23Å; L199-K203 WeakPolarHBondContact O-CG 3.35Å; L199-K203 PolarHBondContact O-N 2.85Å; I201-K203 VanDerWaalsContact C-N 3.32Å; I201-K203 PolarHBondContact O-N 3.21Å; K203-L206 PolarHBondContact O-N 2.96Å; K203-R207 WeakPolarHBondContact O-CB 3.43Å; K203-R207 PolarHBondContact O-N 2.81Å; K203-Y240 HydrophobicContact CB-CD1 4.13Å; K203-Y240 HydrophobicContact CB-CE1 3.66Å; K203-Y240 HydrophobicContact CD-CD1 3.98Å; K203-Y240 HydrophobicContact CD-CD2 4.23Å; K203-Y240 HydrophobicContact CD-CE1 4.18Å; K203-Y240 HydrophobicContact CD-CE2 4.46Å; K203-Y240 HydrophobicContact CD-CG 3.97Å; K203-Y240 HydrophobicContact CG-CD1 3.5Å; K203-Y240 HydrophobicContact CG-CE1 3.59Å; K203-Y240 HydrophobicContact CG-CG 4.02Å
204	R	98.4	Very high	97.5	Very high	4 Å²	4	18.9 Å²	18.9	2%	0.015	9%	0.094	C	C	.	.	H	α-helix	trans	-64.1	-41.2	178.2	-172.7	-175.7	-51.8	-67.9	-10.1	112.1	S159 L162 P163 L164 S200 I201 R207 S208 E288	S159-R204 PolarHBondContact O-NH2 3.41Å; L162-R204 PolarHBondContact O-NH2 3.41Å; P163-R204 PolarHBondContact O-NH1 2.74Å; L164-R204 HydrophobicContact CD2-CB 4.22Å; L164-R204 WeakPolarHBondContact O-CG 3.42Å; S200-R204 WeakPolarHBondContact O-CB 3.35Å; S200-R204 PolarHBondContact O-N 2.93Å; I201-R204 WeakPolarHBondContact O-CB 3.47Å; I201-R204 PolarHBondContact O-N 3.27Å; R204-R207 PolarHBondContact O-N 3.35Å; R204-S208 WeakPolarHBondContact O-CB 3.36Å; R204-S208 PolarHBondContact O-N 3.04Å; R204-E288 WeakPolarHBondContact CD-OE1 3.44Å; R204-E288 WeakPolarHBondContact CD-OE2 3.45Å; R204-E288 HydrophobicContact CG-CG 3.78Å
205	A	98.6	Very high	97.6	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-60.4	-49.1	174.1	0	0	0	0	0	111.6	I201 L202 R207 S208 I209 A285 I287	I201-A205 PolarHBondContact O-N 2.64Å; L202-A205 PolarHBondContact O-N 3.44Å; A205-R207 PolarHBondContact O-N 2.93Å; A205-S208 PolarHBondContact O-N 3Å; A205-I209 WeakPolarHBondContact O-CD1 3.2Å; A205-I209 VanDerWaalsContact O-CG1 3.3Å; A205-I209 WeakPolarHBondContact O-CG1 3.38Å; A205-I209 PolarHBondContact O-N 3.11Å; A205-A285 WeakPolarHBondContact CB-O 3.33Å; A205-I287 VanDerWaalsContact CA-O 3.3Å; A205-I287 WeakPolarHBondContact CA-O 3.44Å; A205-I287 HydrophobicContact CB-CD1 4.14Å; A205-I287 HydrophobicContact CB-CG1 4.32Å; A205-I287 WeakPolarHBondContact CB-O 3.4Å
206	L	98.6	Very high	97.7	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-57.2	-51	176.3	-74	170.2	0	0	0	112.1	L192 L202 K203 S208 I209 I210 I221 M223 Y240 V241 L244	L192-L206 HydrophobicContact CD1-CD2 3.81Å; L192-L206 HydrophobicContact CD1-CG 4.31Å; L202-L206 WeakPolarHBondContact O-CG 3.34Å; L202-L206 PolarHBondContact O-N 2.98Å; L202-L206 VanDerWaalsContact O-N 3.09Å; K203-L206 PolarHBondContact O-N 2.96Å; L206-S208 VanDerWaalsContact C-N 3.35Å; L206-S208 PolarHBondContact O-N 2.87Å; L206-I209 PolarHBondContact O-N 3.43Å; L206-I210 VanDerWaalsContact O-CG1 3.31Å; L206-I210 WeakPolarHBondContact O-CG1 3.4Å; L206-I210 PolarHBondContact O-N 2.95Å; L206-I221 HydrophobicContact CD2-CD1 4.19Å; L206-I221 HydrophobicContact CD2-CG2 3.83Å; L206-M223 HydrophobicContact CD1-CE 3.57Å; L206-M223 HydrophobicContact CD1-SD 3.92Å; L206-M223 HydrophobicContact CD2-CE 3.97Å; L206-M223 HydrophobicContact CD2-CG 4.34Å; L206-M223 HydrophobicContact CD2-SD 3.77Å; L206-M223 HydrophobicContact CG-CE 4.05Å; L206-M223 HydrophobicContact CG-SD 4.38Å; L206-Y240 HydrophobicContact CD1-CD1 4.34Å; L206-Y240 HydrophobicContact CD1-CE1 4.28Å; L206-V241 HydrophobicContact CD1-CG2 4.12Å; L206-L244 HydrophobicContact CB-CD1 3.91Å; L206-L244 HydrophobicContact CD1-CD1 4.06Å
207	R	98.2	Very high	97.8	Very high	61 Å²	61	28.6 Å²	28.6	23%	0.23	13%	0.134	C	C	.	.	H	α-helix	trans	-59.2	-46.9	179.5	-171	71.4	-152.9	-175.9	12.1	111.4	L164 D165 K203 R204 A205 I209 I210 D211 E247	L164-R207 HydrophobicContact CB-CB 4.41Å; L164-R207 HydrophobicContact CB-CG 4.45Å; D165-R207 HydrophobicContact CB-CG 4.25Å; K203-R207 WeakPolarHBondContact O-CB 3.43Å; K203-R207 PolarHBondContact O-N 2.81Å; R204-R207 PolarHBondContact O-N 3.35Å; A205-R207 PolarHBondContact O-N 2.93Å; R207-I209 PolarHBondContact O-N 3.11Å; R207-I210 PolarHBondContact O-N 2.79Å; R207-D211 WeakPolarHBondContact CG-OD2 3.43Å; R207-D211 IonicContact CZ-OD1 3.37Å; R207-D211 IonicContact CZ-OD2 2.9Å; R207-D211 IonicContact NE-OD1 2.95Å; R207-D211 PolarHBondContact NE-OD1 3.15Å; R207-D211 IonicContact NE-OD2 3.94Å; R207-D211 PolarHBondContact NE-OD2 2.86Å; R207-D211 IonicContact NH2-OD1 3.47Å; R207-D211 PolarHBondContact NH2-OD1 2.84Å; R207-D211 IonicContact NH2-OD2 3.16Å; R207-D211 PolarHBondContact NH2-OD2 3.34Å; R207-D211 WeakPolarHBondContact O-CB 3.39Å; R207-D211 VanDerWaalsContact O-CG 3.31Å; R207-D211 PolarHBondContact O-N 2.71Å; R207-E247 IonicContact CZ-OE2 2.77Å; R207-E247 IonicContact NH1-OE2 3.7Å; R207-E247 PolarHBondContact NH1-OE2 2.81Å
208	S	98.6	Very high	97.9	Very high	2 Å²	2	28.9 Å²	28.9	1%	0.014	14%	0.136	C	C	.	.	H	α-helix	trans	-58.4	-44	178.5	174.3	0	0	0	0	112.7	R204 A205 L206 R212 E288 V289	R204-S208 WeakPolarHBondContact O-CB 3.36Å; R204-S208 PolarHBondContact O-N 3.04Å; A205-S208 PolarHBondContact O-N 3Å; L206-S208 VanDerWaalsContact C-N 3.35Å; L206-S208 PolarHBondContact O-N 2.87Å; S208-R212 WeakPolarHBondContact O-CB 3.41Å; S208-R212 PolarHBondContact O-N 2.67Å; S208-R212 PolarHBondContact OG-NH1 2.9Å; S208-E288 WeakPolarHBondContact OG-CA 3.43Å; S208-V289 VanDerWaalsContact O-CG2 3.29Å; S208-V289 WeakPolarHBondContact O-CG2 3.22Å; S208-V289 WeakPolarHBondContact OG-CG2 3.16Å; S208-V289 PolarHBondContact OG-N 2.88Å; S208-V289 PolarHBondContact OG-O 3.43Å
209	I	98.7	Very high	98	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-64.5	-46.2	177.9	-69.9	155.8	0	0	0	110.9	V190 L192 A205 L206 R207 T213 L218 I221 L283 I287 V289	V190-I209 HydrophobicContact CB-CG2 4.36Å; V190-I209 HydrophobicContact CG1-CD1 3.8Å; V190-I209 HydrophobicContact CG1-CG1 4.48Å; V190-I209 HydrophobicContact CG1-CG2 4.45Å; V190-I209 HydrophobicContact CG2-CG2 3.94Å; L192-I209 HydrophobicContact CD1-CD1 3.78Å; L192-I209 HydrophobicContact CD2-CD1 4.07Å; L192-I209 HydrophobicContact CG-CD1 4.18Å; A205-I209 WeakPolarHBondContact O-CD1 3.2Å; A205-I209 VanDerWaalsContact O-CG1 3.3Å; A205-I209 WeakPolarHBondContact O-CG1 3.38Å; A205-I209 PolarHBondContact O-N 3.11Å; L206-I209 PolarHBondContact O-N 3.43Å; R207-I209 PolarHBondContact O-N 3.11Å; I209-T213 WeakPolarHBondContact O-CB 3.49Å; I209-T213 PolarHBondContact O-N 2.86Å; I209-T213 PolarHBondContact O-OG1 2.79Å; I209-L218 HydrophobicContact CG2-CD1 4.04Å; I209-L218 HydrophobicContact CG2-CD2 4.15Å; I209-I221 HydrophobicContact CG2-CD1 3.97Å; I209-I221 HydrophobicContact CG2-CG1 4.41Å; I209-L283 HydrophobicContact CD1-CD1 4.12Å; I209-L283 HydrophobicContact CG1-CD1 4.37Å; I209-I287 HydrophobicContact CD1-CD1 4.22Å; I209-I287 HydrophobicContact CG1-CD1 4.29Å; I209-V289 HydrophobicContact CG1-CG1 4.2Å; I209-V289 HydrophobicContact CG1-CG2 4.44Å
210	I	98.4	Very high	98	Very high	14 Å²	14	31.8 Å²	31.8	7%	0.072	15%	0.147	C	C	.	.	H	α-helix	trans	-66.1	-46.1	-177.2	-67.7	170.5	0	0	0	110.9	L206 R207 L218 I221 L244 L251	L206-I210 VanDerWaalsContact O-CG1 3.31Å; L206-I210 WeakPolarHBondContact O-CG1 3.4Å; L206-I210 PolarHBondContact O-N 2.95Å; R207-I210 PolarHBondContact O-N 2.79Å; I210-L218 HydrophobicContact CG1-CD2 4.31Å; I210-I221 HydrophobicContact CD1-CD1 4.1Å; I210-I221 HydrophobicContact CG1-CD1 3.74Å; I210-L244 HydrophobicContact CD1-CB 4.19Å; I210-L244 HydrophobicContact CD1-CD1 3.86Å; I210-L244 HydrophobicContact CD1-CD2 3.96Å; I210-L244 HydrophobicContact CD1-CG 4.23Å; I210-L251 HydrophobicContact CD1-CD2 3.77Å; I210-L251 HydrophobicContact CG1-CD2 3.68Å
211	D	97.8	Very high	98.1	Very high	68 Å²	68	31.2 Å²	31.2	36%	0.364	14%	0.144	S	C	.	.	H	α-helix	trans	-71.5	-34.3	-174.2	-71.8	-16.8	0	0	0	113.1	R207	R207-D211 WeakPolarHBondContact CG-OD2 3.43Å; R207-D211 IonicContact CZ-OD1 3.37Å; R207-D211 IonicContact CZ-OD2 2.9Å; R207-D211 IonicContact NE-OD1 2.95Å; R207-D211 PolarHBondContact NE-OD1 3.15Å; R207-D211 IonicContact NE-OD2 3.94Å; R207-D211 PolarHBondContact NE-OD2 2.86Å; R207-D211 IonicContact NH2-OD1 3.47Å; R207-D211 PolarHBondContact NH2-OD1 2.84Å; R207-D211 IonicContact NH2-OD2 3.16Å; R207-D211 PolarHBondContact NH2-OD2 3.34Å; R207-D211 WeakPolarHBondContact O-CB 3.39Å; R207-D211 VanDerWaalsContact O-CG 3.31Å; R207-D211 PolarHBondContact O-N 2.71Å
212	R	98.1	Very high	98.1	Very high	25 Å²	25	31 Å²	31	9%	0.094	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.9	14.4	-170.7	-54.5	177.7	-175.4	137.5	8.4	113.6	R166 L168 S208 V289	R166-R212 PolarHBondContact O-NH2 2.82Å; L168-R212 VanDerWaalsContact CD1-NH1 3.26Å; S208-R212 WeakPolarHBondContact O-CB 3.41Å; S208-R212 PolarHBondContact O-N 2.67Å; S208-R212 PolarHBondContact OG-NH1 2.9Å; R212-V289 HydrophobicContact CB-CG2 4.1Å; R212-V289 WeakPolarHBondContact CD-O 3.49Å; R212-V289 PolarHBondContact NH1-O 3.09Å
213	T	98.3	Very high	98.1	Very high	7 Å²	7	31 Å²	31	4%	0.043	14%	0.143	C	C	.	.	S	Bend	trans	-120.1	126.5	173.3	-47.9	0	0	0	0	109.6	V188 I209 K215 L217 L218 W293 A294	V188-T213 HydrophobicContact CG1-CG2 4.37Å; I209-T213 WeakPolarHBondContact O-CB 3.49Å; I209-T213 PolarHBondContact O-N 2.86Å; I209-T213 PolarHBondContact O-OG1 2.79Å; T213-K215 PolarHBondContact O-N 2.89Å; T213-L217 HydrophobicContact CG2-CB 4.47Å; T213-L218 HydrophobicContact CG2-CB 3.78Å; T213-L218 HydrophobicContact CG2-CD1 4.5Å; T213-W293 PolarHBondContact OG1-NE1 3.47Å; T213-A294 HydrophobicContact CG2-CB 4.18Å
214	P	97.1	Very high	98.1	Very high	35 Å²	35	28.9 Å²	28.9	23%	0.227	13%	0.133	C	C	.	.			trans	-55.9	134	177.8	-26	33.4	0	0	0	112.6	H216 L217 L218 E295	P214-H216 WeakPolarHBondContact CB-CE1 3.17Å; P214-H216 PolarHBondContact O-N 2.95Å; P214-L217 HydrophobicContact CB-CD1 4.14Å; P214-L217 HydrophobicContact CB-CG 4.17Å; P214-L217 HydrophobicContact CG-CD1 3.96Å; P214-L217 PolarHBondContact O-N 2.89Å; P214-L218 PolarHBondContact O-N 3.26Å; P214-L218 VanDerWaalsContact O-N 3.1Å; P214-E295 WeakPolarHBondContact CG-OE1 3.45Å
215	K	96.2	Very high	98.1	Very high	177 Å²	177	29.2 Å²	29.2	77%	0.77	14%	0.135	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-29.6	-175.8	-67	-174	175.7	-173.9	0	114.9	T213 L217	T213-K215 PolarHBondContact O-N 2.89Å; K215-L217 VanDerWaalsContact C-N 3.33Å
216	H	96.1	Very high	97.9	Very high	116 Å²	116	29.5 Å²	29.5	54%	0.537	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79	-17.3	178.6	65.1	-81.3	0	0	0	113.1	K183 P214	K183-H216 PolarHBondContact O-NE2 3.23Å; P214-H216 WeakPolarHBondContact CB-CE1 3.17Å; P214-H216 PolarHBondContact O-N 2.95Å
217	L	98.1	Very high	97.8	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-43.4	177.1	-57.8	-179.1	0	0	0	111.2	L185 T187 V188 T213 P214 K215 K219 E295 L298	L185-L217 HydrophobicContact CB-CD2 3.69Å; L185-L217 HydrophobicContact CD1-CD1 4.43Å; T187-L217 CarbonylContact C-O 3.56Å; T187-L217 WeakPolarHBondContact CA-O 3.49Å; V188-L217 PolarHBondContact N-O 3.06Å; T213-L217 HydrophobicContact CG2-CB 4.47Å; P214-L217 HydrophobicContact CB-CD1 4.14Å; P214-L217 HydrophobicContact CB-CG 4.17Å; P214-L217 HydrophobicContact CG-CD1 3.96Å; P214-L217 PolarHBondContact O-N 2.89Å; K215-L217 VanDerWaalsContact C-N 3.33Å; L217-K219 PolarHBondContact O-N 3.1Å; L217-K219 VanDerWaalsContact O-N 3.12Å; L217-E295 HydrophobicContact CD1-CG 3.97Å; L217-L298 HydrophobicContact CB-CD1 4.42Å; L217-L298 HydrophobicContact CD1-CD1 4.05Å; L217-L298 HydrophobicContact CD2-CD1 4.45Å
218	L	98.4	Very high	97.6	Very high	13 Å²	13	30.6 Å²	30.6	7%	0.068	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	99.2	-178.2	-173.6	64.9	0	0	0	111.3	V188 V190 I209 I210 T213 P214 I221 L251	V188-L218 HydrophobicContact CG1-CD1 4.46Å; V190-L218 HydrophobicContact CG2-CD1 3.78Å; I209-L218 HydrophobicContact CG2-CD1 4.04Å; I209-L218 HydrophobicContact CG2-CD2 4.15Å; I210-L218 HydrophobicContact CG1-CD2 4.31Å; T213-L218 HydrophobicContact CG2-CB 3.78Å; T213-L218 HydrophobicContact CG2-CD1 4.5Å; P214-L218 PolarHBondContact O-N 3.26Å; P214-L218 VanDerWaalsContact O-N 3.1Å; L218-I221 HydrophobicContact CD1-CG1 4.29Å; L218-I221 HydrophobicContact CD2-CD1 4.44Å; L218-L251 HydrophobicContact CD2-CD1 3.85Å; L218-L251 HydrophobicContact CD2-CD2 4.16Å; L218-L251 HydrophobicContact CG-CD1 3.71Å
219	K	98.2	Very high	97.3	Very high	83 Å²	83	34.2 Å²	34.2	36%	0.361	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	-40.7	-178.8	-176	179.1	-176.3	175.3	0	112.6	V188 L217 T276 A277	V188-K219 PolarHBondContact O-N 3.49Å; L217-K219 PolarHBondContact O-N 3.1Å; L217-K219 VanDerWaalsContact O-N 3.12Å; K219-T276 PolarHBondContact NZ-O 3.17Å; K219-A277 HydrophobicContact CB-CB 4.26Å; K219-A277 HydrophobicContact CD-CB 3.93Å
220	E	98.5	Very high	97	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	156.5	-173.3	64.9	-164.7	168.5	0	0	112.3	G189 V190 I222 R252 A275 T276 A277	G189-E220 WeakPolarHBondContact CA-O 3.33Å; V190-E220 PolarHBondContact N-O 2.76Å; E220-I222 HydrophobicContact CG-CD1 3.82Å; E220-R252 CarbonylContact C-O 3.46Å; E220-R252 WeakPolarHBondContact CA-O 3.47Å; E220-R252 HydrophobicContact CB-CB 4.08Å; E220-R252 WeakPolarHBondContact CB-O 3.35Å; E220-A275 WeakPolarHBondContact OE1-CA 3.29Å; E220-T276 WeakPolarHBondContact OE1-CA 3.3Å; E220-T276 PolarHBondContact OE1-N 3.06Å; E220-T276 PolarHBondContact OE1-OG1 3.17Å; E220-T276 PolarHBondContact OE2-OG1 2.64Å; E220-A277 PolarHBondContact OE1-N 2.95Å
221	I	98.8	Very high	96.6	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	123.7	167.1	-59.3	177.2	0	0	0	108	V190 L192 L206 I209 I210 L218 M223 L251 R252 I253 T254	V190-I221 HydrophobicContact CB-CG1 4.48Å; V190-I221 CarbonylContact O-C 3.5Å; V190-I221 WeakPolarHBondContact O-CA 3.46Å; L192-I221 HydrophobicContact CD1-CG2 4.27Å; L206-I221 HydrophobicContact CD2-CD1 4.19Å; L206-I221 HydrophobicContact CD2-CG2 3.83Å; I209-I221 HydrophobicContact CG2-CD1 3.97Å; I209-I221 HydrophobicContact CG2-CG1 4.41Å; I210-I221 HydrophobicContact CD1-CD1 4.1Å; I210-I221 HydrophobicContact CG1-CD1 3.74Å; L218-I221 HydrophobicContact CD1-CG1 4.29Å; L218-I221 HydrophobicContact CD2-CD1 4.44Å; I221-M223 HydrophobicContact CG2-CG 4.07Å; I221-L251 HydrophobicContact CD1-CD2 4.12Å; I221-L251 HydrophobicContact CG1-CD1 4.41Å; I221-R252 PolarHBondContact N-O 3.32Å; I221-I253 HydrophobicContact CB-CG1 4.44Å; I221-I253 CarbonylContact O-C 3.52Å; I221-I253 WeakPolarHBondContact O-CA 3.33Å; I221-T254 PolarHBondContact O-N 2.78Å
222	I	98.8	Very high	96.3	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	117.2	175.2	-56.1	102.7	0	0	0	108.6	V190 V191 L192 E220 V224 T254 V256 A274 A275	V190-I222 PolarHBondContact O-N 3.5Å; V191-I222 CarbonylContact C-O 3.59Å; V191-I222 WeakPolarHBondContact CA-O 3.23Å; V191-I222 HydrophobicContact CG2-CB 4.23Å; V191-I222 HydrophobicContact CG2-CD1 3.98Å; L192-I222 PolarHBondContact N-O 3.08Å; E220-I222 HydrophobicContact CG-CD1 3.82Å; I222-V224 HydrophobicContact CG2-CG2 4.1Å; I222-T254 WeakPolarHBondContact CA-O 3.49Å; I222-V256 HydrophobicContact CG2-CG2 3.87Å; I222-A274 HydrophobicContact CG1-CB 4.44Å; I222-A274 HydrophobicContact CG2-CB 3.92Å; I222-A275 HydrophobicContact CD1-CB 3.74Å
223	M	98.3	Very high	96	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	113.7	179	-60.8	-173.6	76.9	0	0	109.5	L192 Y194 L202 L206 I221 L237 V241 I253 T254 R255 V256	L192-M223 WeakPolarHBondContact O-CA 3.34Å; Y194-M223 HydrophobicContact CE1-CB 4.14Å; Y194-M223 HydrophobicContact CE1-CE 4.42Å; L202-M223 HydrophobicContact CD1-CE 3.89Å; L202-M223 HydrophobicContact CD2-CE 3.87Å; L202-M223 HydrophobicContact CG-CE 3.93Å; L206-M223 HydrophobicContact CD1-CE 3.57Å; L206-M223 HydrophobicContact CD1-SD 3.92Å; L206-M223 HydrophobicContact CD2-CE 3.97Å; L206-M223 HydrophobicContact CD2-CG 4.34Å; L206-M223 HydrophobicContact CD2-SD 3.77Å; L206-M223 HydrophobicContact CG-CE 4.05Å; L206-M223 HydrophobicContact CG-SD 4.38Å; I221-M223 HydrophobicContact CG2-CG 4.07Å; M223-L237 HydrophobicContact CE-CD1 4.36Å; M223-L237 HydrophobicContact CE-CD2 4.44Å; M223-V241 HydrophobicContact SD-CG2 3.72Å; M223-I253 HydrophobicContact CG-CG2 4.28Å; M223-I253 HydrophobicContact SD-CG2 3.98Å; M223-T254 PolarHBondContact N-O 3.39Å; M223-R255 PolarHBondContact SD-NH1 2.98Å; M223-R255 VanDerWaalsContact SD-NH1 3.41Å; M223-R255 PolarHBondContact SD-NH2 3.27Å; M223-V256 PolarHBondContact O-N 3.35Å
224	V	98.3	Very high	95.6	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	111.6	-176.8	-172.1	0	0	0	0	110	V191 L192 I193 Y194 I222 V256 A267 S270	V191-V224 HydrophobicContact CG1-CG2 4.01Å; L192-V224 PolarHBondContact O-N 2.94Å; I193-V224 WeakPolarHBondContact CA-O 3.41Å; I193-V224 HydrophobicContact CB-CB 4.49Å; I193-V224 HydrophobicContact CG1-CB 3.88Å; I193-V224 HydrophobicContact CG1-CG1 4.5Å; I193-V224 HydrophobicContact CG1-CG2 4.17Å; Y194-V224 VanDerWaalsContact CD1-O 3.29Å; Y194-V224 WeakPolarHBondContact CD1-O 3.28Å; Y194-V224 PolarHBondContact N-O 3.46Å; I222-V224 HydrophobicContact CG2-CG2 4.1Å; V224-V256 CarbonylContact C-O 3.53Å; V224-V256 WeakPolarHBondContact CA-O 3.42Å; V224-V256 HydrophobicContact CG1-CB 4.38Å; V224-V256 HydrophobicContact CG1-CG1 4.3Å; V224-V256 HydrophobicContact CG2-CB 4.22Å; V224-A267 HydrophobicContact CG1-CB 3.95Å; V224-S270 WeakPolarHBondContact CG1-OG 3.21Å
225	D	97.4	Very high	95.2	Very high	11 Å²	11	42.3 Å²	42.3	6%	0.059	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	109.9	172.9	-164.8	-8.7	0	0	0	110.1	Y194 N227 S228 V256 R257 H258	Y194-D225 HydrophobicContact CE1-CB 4.2Å; Y194-D225 HydrophobicContact CE2-CB 3.78Å; Y194-D225 VanDerWaalsContact CE2-CG 3.46Å; Y194-D225 WeakPolarHBondContact OH-CB 3.34Å; D225-N227 PolarHBondContact O-N 2.89Å; D225-N227 PolarHBondContact OD1-N 3.1Å; D225-S228 WeakPolarHBondContact OD1-CB 3.29Å; D225-S228 PolarHBondContact OD1-N 2.85Å; D225-S228 PolarHBondContact OD1-OG 2.8Å; D225-V256 PolarHBondContact N-O 2.87Å; D225-R257 HydrophobicContact CB-CB 4.5Å; D225-R257 HydrophobicContact CB-CG 4.06Å; D225-H258 PolarHBondContact O-N 2.92Å
226	D	95.9	Very high	95.1	Very high	6 Å²	6	38.4 Å²	38.4	3%	0.032	21%	0.207	C	C	.	.	S	Bend	trans	-83.5	44.5	176.6	-165	36.2	0	0	0	112.2	Y194 L195 H258 Q261 K262 G263 A267	Y194-D226 PolarHBondContact O-N 2.73Å; L195-D226 WeakPolarHBondContact CD1-O 3.29Å; D226-H258 IonicContact OD1-CE1 2.84Å; D226-H258 IonicContact OD1-CG 3.91Å; D226-H258 IonicContact OD1-ND1 3.52Å; D226-H258 PolarHBondContact OD1-ND1 3.36Å; D226-Q261 WeakPolarHBondContact OD2-CG 3.48Å; D226-K262 PolarHBondContact OD1-N 3.18Å; D226-K262 PolarHBondContact OD2-N 3.34Å; D226-G263 WeakPolarHBondContact OD2-CA 3.49Å; D226-G263 PolarHBondContact OD2-N 3.34Å; D226-A267 HydrophobicContact CB-CB 4.32Å
227	N	95.3	Very high	95.1	Very high	76 Å²	76	32.9 Å²	32.9	41%	0.406	18%	0.181	S	C	.	.			trans	70.2	57.3	179.7	-169.6	51.4	0	0	0	114.5	D225 E260	D225-N227 PolarHBondContact O-N 2.89Å; D225-N227 PolarHBondContact OD1-N 3.1Å; N227-E260 VanDerWaalsContact CB-C 3.48Å
228	S	94.7	Very high	94.9	Very high	9 Å²	9	35.5 Å²	35.5	6%	0.063	20%	0.196	C	C	.	.			trans	-64.8	138.6	174.5	-59.7	0	0	0	0	113.2	N196 D225	N196-S228 PolarHBondContact N-OG 3.24Å; N196-S228 WeakPolarHBondContact OD1-CA 3.49Å; D225-S228 WeakPolarHBondContact OD1-CB 3.29Å; D225-S228 PolarHBondContact OD1-N 2.85Å; D225-S228 PolarHBondContact OD1-OG 2.8Å
229	S	92.9	Very high	94.8	Very high	78 Å²	78	38 Å²	38	55%	0.545	22%	0.218	S	C	.	.			trans	-94.1	-15.5	174.9	58.8	0	0	0	0	113.8	N196 E231	N196-S229 PolarHBondContact ND2-OG 3.24Å; N196-S229 PolarHBondContact OD1-N 3.37Å; N196-S229 PolarHBondContact OD1-OG 3.45Å; N196-S229 VanDerWaalsContact OD1-OG 3.1Å; S229-E231 PolarHBondContact O-N 2.87Å
230	N	91.6	Very high	94.7	Very high	15 Å²	15	35.4 Å²	35.4	8%	0.08	21%	0.206	C	C	.	.			trans	-67.1	118.8	178	-74	-17.3	0	0	0	111.3	K151 N196 N232 L233	K151-N230 PolarHBondContact NZ-OD1 3.5Å; N196-N230 PolarHBondContact O-ND2 2.84Å; N196-N230 PolarHBondContact OD1-N 3.09Å; N196-N230 VanDerWaalsContact OD1-N 3.08Å; N230-N232 VanDerWaalsContact C-N 3.3Å; N230-N232 WeakPolarHBondContact CB-OD1 3.41Å; N230-N232 PolarHBondContact O-N 3.38Å; N230-L233 HydrophobicContact CB-CD1 3.93Å; N230-L233 HydrophobicContact CB-CG 3.95Å; N230-L233 WeakPolarHBondContact O-CB 3.49Å; N230-L233 PolarHBondContact O-N 2.95Å; N230-L233 VanDerWaalsContact O-N 3.11Å
231	E	90.6	Very high	94.6	Very high	129 Å²	129	35.8 Å²	35.8	60%	0.603	21%	0.208	S	C	*	.	G	3₁₀ helix	trans	-61.9	-33.8	-177.7	-66.8	-56	139.7	0	0	113.8	S229 L233 K234	S229-E231 PolarHBondContact O-N 2.87Å; E231-L233 PolarHBondContact O-N 3.44Å; E231-K234 WeakPolarHBondContact O-CB 3.43Å; E231-K234 PolarHBondContact O-N 3.49Å; E231-K234 IonicContact OE1-NZ 3.15Å; E231-K234 PolarHBondContact OE1-NZ 3.07Å; E231-K234 WeakPolarHBondContact OE2-CD 3.38Å; E231-K234 WeakPolarHBondContact OE2-CE 3.46Å; E231-K234 IonicContact OE2-NZ 3.39Å; E231-K234 PolarHBondContact OE2-NZ 3.29Å
232	N	91.1	Very high	94.5	Very high	49 Å²	49	41.6 Å²	41.6	26%	0.262	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-70.1	-11.4	178.5	68.9	-12.5	0	0	0	113.7	L199 N230 K234 D236 L237	L199-N232 HydrophobicContact CD2-CB 4.2Å; N230-N232 VanDerWaalsContact C-N 3.3Å; N230-N232 WeakPolarHBondContact CB-OD1 3.41Å; N230-N232 PolarHBondContact O-N 3.38Å; N232-K234 VanDerWaalsContact C-N 3.26Å; N232-D236 WeakPolarHBondContact CB-OD2 3.45Å; N232-L237 PolarHBondContact O-N 3.47Å
233	L	92.4	Very high	94.4	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-85.4	0.2	170.4	-61.5	-179.1	0	0	0	112.9	Y194 E197 L199 L202 N230 E231 L237	Y194-L233 HydrophobicContact CD2-CD1 4.05Å; Y194-L233 HydrophobicContact CE2-CB 4.42Å; Y194-L233 HydrophobicContact CE2-CD1 4.24Å; E197-L233 WeakPolarHBondContact O-CD1 3.39Å; L199-L233 HydrophobicContact CD1-CD2 4.22Å; L202-L233 HydrophobicContact CD2-CD2 4.18Å; N230-L233 HydrophobicContact CB-CD1 3.93Å; N230-L233 HydrophobicContact CB-CG 3.95Å; N230-L233 WeakPolarHBondContact O-CB 3.49Å; N230-L233 PolarHBondContact O-N 2.95Å; N230-L233 VanDerWaalsContact O-N 3.11Å; E231-L233 PolarHBondContact O-N 3.44Å; L233-L237 HydrophobicContact CB-CD2 4.33Å; L233-L237 HydrophobicContact CD2-CD2 4.15Å; L233-L237 WeakPolarHBondContact O-CD2 3.39Å
234	K	88.1	Confident	94.4	Very high	80 Å²	80	43.4 Å²	43.4	35%	0.348	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-97.7	172.7	-52.3	177.1	-166.9	163.1	0	109	E231 N232 D236 L237 D238	E231-K234 WeakPolarHBondContact O-CB 3.43Å; E231-K234 PolarHBondContact O-N 3.49Å; E231-K234 IonicContact OE1-NZ 3.15Å; E231-K234 PolarHBondContact OE1-NZ 3.07Å; E231-K234 WeakPolarHBondContact OE2-CD 3.38Å; E231-K234 WeakPolarHBondContact OE2-CE 3.46Å; E231-K234 IonicContact OE2-NZ 3.39Å; E231-K234 PolarHBondContact OE2-NZ 3.29Å; N232-K234 VanDerWaalsContact C-N 3.26Å; K234-D236 PolarHBondContact O-N 2.85Å; K234-L237 PolarHBondContact O-N 3.09Å; K234-D238 WeakPolarHBondContact O-CB 3.37Å; K234-D238 PolarHBondContact O-N 3.41Å
235	G	88.8	Confident	94.2	Very high	46 Å²	46	46.9 Å²	46.9	47%	0.474	26%	0.262	S	S	.	.	H	α-helix	trans	-59.4	-51.1	-171.7	0	0	0	0	0	114.8	L237 D238 A239	G235-L237 VanDerWaalsContact C-N 3.29Å; G235-L237 PolarHBondContact O-N 3.35Å; G235-D238 PolarHBondContact O-N 2.96Å; G235-A239 PolarHBondContact O-N 2.67Å
236	D	95	Very high	94.2	Very high	94 Å²	94	52.4 Å²	52.4	50%	0.503	29%	0.288	S	S	.	.	H	α-helix	trans	-65	-35.9	-175.6	-56.5	-21.6	0	0	0	112.5	L199 N232 K234 Y240	L199-D236 HydrophobicContact CD2-CB 3.96Å; N232-D236 WeakPolarHBondContact CB-OD2 3.45Å; K234-D236 PolarHBondContact O-N 2.85Å; D236-Y240 PolarHBondContact O-N 2.97Å
237	L	95.5	Very high	94.2	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-74.1	-38.6	177.4	179.6	62.2	0	0	0	111.4	Y194 L199 L202 M223 N232 L233 K234 G235 A239 Y240 V241 R255	Y194-L237 HydrophobicContact CE2-CD2 4.46Å; L199-L237 HydrophobicContact CD1-CB 3.87Å; L199-L237 HydrophobicContact CD1-CD1 3.91Å; L199-L237 HydrophobicContact CD1-CG 4.37Å; L202-L237 HydrophobicContact CD2-CD1 3.93Å; L202-L237 HydrophobicContact CD2-CD2 3.53Å; L202-L237 HydrophobicContact CD2-CG 4.39Å; L202-L237 HydrophobicContact CG-CD1 4.36Å; M223-L237 HydrophobicContact CE-CD1 4.36Å; M223-L237 HydrophobicContact CE-CD2 4.44Å; N232-L237 PolarHBondContact O-N 3.47Å; L233-L237 HydrophobicContact CB-CD2 4.33Å; L233-L237 HydrophobicContact CD2-CD2 4.15Å; L233-L237 WeakPolarHBondContact O-CD2 3.39Å; K234-L237 PolarHBondContact O-N 3.09Å; G235-L237 VanDerWaalsContact C-N 3.29Å; G235-L237 PolarHBondContact O-N 3.35Å; L237-A239 VanDerWaalsContact C-N 3.34Å; L237-Y240 PolarHBondContact O-N 3.15Å; L237-V241 PolarHBondContact O-N 2.6Å; L237-R255 VanDerWaalsContact CD2-NH1 3.32Å
238	D	93.5	Very high	94.3	Very high	57 Å²	57	54.4 Å²	54.4	31%	0.305	30%	0.295	S	S	.	.	H	α-helix	trans	-62.7	-42.1	174.3	-71.9	-19.9	0	0	0	110.8	K234 G235 Y240 V241 K242 R255 R257	K234-D238 WeakPolarHBondContact O-CB 3.37Å; K234-D238 PolarHBondContact O-N 3.41Å; G235-D238 PolarHBondContact O-N 2.96Å; D238-Y240 PolarHBondContact O-N 2.99Å; D238-V241 PolarHBondContact O-N 3.38Å; D238-K242 PolarHBondContact O-N 2.87Å; D238-R255 IonicContact OD1-NE 3.55Å; D238-R257 VanDerWaalsContact CG-NH2 3.25Å; D238-R257 IonicContact OD1-NH2 2.85Å; D238-R257 PolarHBondContact OD1-NH2 2.74Å; D238-R257 IonicContact OD2-CZ 2.96Å; D238-R257 IonicContact OD2-NH2 2.91Å; D238-R257 PolarHBondContact OD2-NH2 3.12Å
239	A	96.2	Very high	94.1	Very high	64 Å²	64	59.9 Å²	59.9	53%	0.529	33%	0.331	S	S	.	.	H	α-helix	trans	-61.4	-41.9	175.2	0	0	0	0	0	112.4	G235 L237 K242 S243	G235-A239 PolarHBondContact O-N 2.67Å; L237-A239 VanDerWaalsContact C-N 3.34Å; A239-K242 PolarHBondContact O-N 2.94Å; A239-S243 PolarHBondContact O-N 3.4Å; A239-S243 VanDerWaalsContact O-N 3.15Å
240	Y	97.2	Very high	94	Very high	30 Å²	30	59.9 Å²	59.9	12%	0.118	34%	0.343	C	S	.	.	H	α-helix	trans	-70	-38	177.4	-177.4	-110.2	0	0	0	113.1	L164 K203 L206 D236 L237 D238 K242 S243 L244	L164-Y240 HydrophobicContact CD1-CE2 4.1Å; K203-Y240 HydrophobicContact CB-CD1 4.13Å; K203-Y240 HydrophobicContact CB-CE1 3.66Å; K203-Y240 HydrophobicContact CD-CD1 3.98Å; K203-Y240 HydrophobicContact CD-CD2 4.23Å; K203-Y240 HydrophobicContact CD-CE1 4.18Å; K203-Y240 HydrophobicContact CD-CE2 4.46Å; K203-Y240 HydrophobicContact CD-CG 3.97Å; K203-Y240 HydrophobicContact CG-CD1 3.5Å; K203-Y240 HydrophobicContact CG-CE1 3.59Å; K203-Y240 HydrophobicContact CG-CG 4.02Å; L206-Y240 HydrophobicContact CD1-CD1 4.34Å; L206-Y240 HydrophobicContact CD1-CE1 4.28Å; D236-Y240 PolarHBondContact O-N 2.97Å; L237-Y240 PolarHBondContact O-N 3.15Å; D238-Y240 PolarHBondContact O-N 2.99Å; Y240-K242 VanDerWaalsContact C-N 3.31Å; Y240-K242 PolarHBondContact O-N 2.99Å; Y240-S243 PolarHBondContact O-N 3.1Å; Y240-S243 PolarHBondContact O-OG 2.99Å; Y240-L244 HydrophobicContact CD1-CD1 3.99Å; Y240-L244 HydrophobicContact CD1-CG 4.43Å; Y240-L244 HydrophobicContact CE1-CD1 3.56Å; Y240-L244 HydrophobicContact CE1-CD2 4.46Å; Y240-L244 HydrophobicContact CE1-CG 4.06Å; Y240-L244 WeakPolarHBondContact O-CG 3.49Å; Y240-L244 PolarHBondContact O-N 2.81Å; Y240-L244 VanDerWaalsContact O-N 3.07Å
241	V	96.7	Very high	94.2	Very high	8 Å²	8	60.1 Å²	60.1	5%	0.048	34%	0.344	C	S	.	.	H	α-helix	trans	-64	-41.2	174.4	160.5	0	0	0	0	111.1	L206 M223 L237 D238 S243 L244 E245 I253	L206-V241 HydrophobicContact CD1-CG2 4.12Å; M223-V241 HydrophobicContact SD-CG2 3.72Å; L237-V241 PolarHBondContact O-N 2.6Å; D238-V241 PolarHBondContact O-N 3.38Å; V241-S243 VanDerWaalsContact C-N 3.28Å; V241-S243 PolarHBondContact O-N 3.3Å; V241-L244 WeakPolarHBondContact O-CB 3.48Å; V241-L244 PolarHBondContact O-N 3.29Å; V241-L244 VanDerWaalsContact O-N 3.09Å; V241-E245 HydrophobicContact CG1-CG 4.35Å; V241-E245 WeakPolarHBondContact O-CG 3.3Å; V241-E245 PolarHBondContact O-N 3.2Å; V241-I253 HydrophobicContact CG1-CB 3.96Å; V241-I253 HydrophobicContact CG1-CD1 4.2Å; V241-I253 HydrophobicContact CG1-CG2 3.64Å; V241-I253 HydrophobicContact CG2-CG2 4.32Å
242	K	96.1	Very high	94.5	Very high	122 Å²	122	60.4 Å²	60.4	53%	0.53	34%	0.34	S	S	.	.	H	α-helix	trans	-58	-42	175.2	-170.8	-176.7	177.6	-166.4	0	111.9	D238 A239 Y240 L244 E245 E246	D238-K242 PolarHBondContact O-N 2.87Å; A239-K242 PolarHBondContact O-N 2.94Å; Y240-K242 VanDerWaalsContact C-N 3.31Å; Y240-K242 PolarHBondContact O-N 2.99Å; K242-L244 VanDerWaalsContact C-N 3.34Å; K242-L244 PolarHBondContact O-N 3.2Å; K242-E245 PolarHBondContact O-N 3.46Å; K242-E246 VanDerWaalsContact CE-OE1 3.25Å; K242-E246 WeakPolarHBondContact CE-OE1 3.4Å; K242-E246 IonicContact NZ-OE1 3.55Å; K242-E246 WeakPolarHBondContact O-CG 3.44Å; K242-E246 PolarHBondContact O-N 3.07Å
243	S	97.3	Very high	94.8	Very high	37 Å²	37	58.7 Å²	58.7	26%	0.259	33%	0.33	S	S	.	.	H	α-helix	trans	-65.1	-37.4	176.3	73.7	0	0	0	0	112.3	A239 Y240 V241 E246 E247	A239-S243 PolarHBondContact O-N 3.4Å; A239-S243 VanDerWaalsContact O-N 3.15Å; Y240-S243 PolarHBondContact O-N 3.1Å; Y240-S243 PolarHBondContact O-OG 2.99Å; V241-S243 VanDerWaalsContact C-N 3.28Å; V241-S243 PolarHBondContact O-N 3.3Å; S243-E246 PolarHBondContact O-N 3.15Å; S243-E247 WeakPolarHBondContact O-CG 3.41Å; S243-E247 PolarHBondContact O-N 2.73Å
244	L	96.9	Very high	95	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-64.7	-38.1	174.3	-69.4	175.6	0	0	0	112.6	L206 I210 Y240 V241 K242 E247 N248 I253	L206-L244 HydrophobicContact CB-CD1 3.91Å; L206-L244 HydrophobicContact CD1-CD1 4.06Å; I210-L244 HydrophobicContact CD1-CB 4.19Å; I210-L244 HydrophobicContact CD1-CD1 3.86Å; I210-L244 HydrophobicContact CD1-CD2 3.96Å; I210-L244 HydrophobicContact CD1-CG 4.23Å; Y240-L244 HydrophobicContact CD1-CD1 3.99Å; Y240-L244 HydrophobicContact CD1-CG 4.43Å; Y240-L244 HydrophobicContact CE1-CD1 3.56Å; Y240-L244 HydrophobicContact CE1-CD2 4.46Å; Y240-L244 HydrophobicContact CE1-CG 4.06Å; Y240-L244 WeakPolarHBondContact O-CG 3.49Å; Y240-L244 PolarHBondContact O-N 2.81Å; Y240-L244 VanDerWaalsContact O-N 3.07Å; V241-L244 WeakPolarHBondContact O-CB 3.48Å; V241-L244 PolarHBondContact O-N 3.29Å; V241-L244 VanDerWaalsContact O-N 3.09Å; K242-L244 VanDerWaalsContact C-N 3.34Å; K242-L244 PolarHBondContact O-N 3.2Å; L244-E247 PolarHBondContact O-N 3.49Å; L244-N248 WeakPolarHBondContact O-CB 3.32Å; L244-N248 PolarHBondContact O-N 3.3Å; L244-N248 PolarHBondContact O-ND2 3.45Å; L244-I253 HydrophobicContact CB-CD1 3.99Å; L244-I253 HydrophobicContact CD1-CD1 4.48Å
245	E	95.8	Very high	95.3	Very high	73 Å²	73	58.9 Å²	58.9	34%	0.341	33%	0.332	S	S	.	.	H	α-helix	trans	-66.1	-40.2	175.1	-68.6	175.8	145.4	0	0	111.5	V241 K242 N248 I253	V241-E245 HydrophobicContact CG1-CG 4.35Å; V241-E245 WeakPolarHBondContact O-CG 3.3Å; V241-E245 PolarHBondContact O-N 3.2Å; K242-E245 PolarHBondContact O-N 3.46Å; E245-N248 CarbonylContact O-C 3.51Å; E245-N248 PolarHBondContact O-N 2.93Å; E245-I253 HydrophobicContact CG-CB 4.19Å; E245-I253 HydrophobicContact CG-CD1 4.06Å; E245-I253 HydrophobicContact CG-CG1 4.11Å
246	E	96.4	Very high	95.8	Very high	127 Å²	127	58.1 Å²	58.1	59%	0.593	32%	0.318	S	S	*	.	H	α-helix	trans	-63.6	-41.2	174.3	-71.7	169.7	-176.2	0	0	111.9	K242 S243 N248	K242-E246 VanDerWaalsContact CE-OE1 3.25Å; K242-E246 WeakPolarHBondContact CE-OE1 3.4Å; K242-E246 IonicContact NZ-OE1 3.55Å; K242-E246 WeakPolarHBondContact O-CG 3.44Å; K242-E246 PolarHBondContact O-N 3.07Å; S243-E246 PolarHBondContact O-N 3.15Å; E246-N248 VanDerWaalsContact C-N 3.28Å; E246-N248 PolarHBondContact O-N 3.35Å
247	E	96.6	Very high	95.8	Very high	100 Å²	100	59.7 Å²	59.7	47%	0.467	32%	0.317	S	S	.	.	H	α-helix	trans	-68.6	-25.1	174.3	-73.1	174.6	-144.9	0	0	113	R207 S243 L244	R207-E247 IonicContact CZ-OE2 2.77Å; R207-E247 IonicContact NH1-OE2 3.7Å; R207-E247 PolarHBondContact NH1-OE2 2.81Å; S243-E247 WeakPolarHBondContact O-CG 3.41Å; S243-E247 PolarHBondContact O-N 2.73Å; L244-E247 PolarHBondContact O-N 3.49Å
248	N	96.6	Very high	95.9	Very high	25 Å²	25	60.8 Å²	60.8	13%	0.134	32%	0.322	C	S	.	.			trans	-132.3	71.9	-173.3	-58.6	-84	0	0	0	112.4	L244 E245 E246 G250 L251	L244-N248 WeakPolarHBondContact O-CB 3.32Å; L244-N248 PolarHBondContact O-N 3.3Å; L244-N248 PolarHBondContact O-ND2 3.45Å; E245-N248 CarbonylContact O-C 3.51Å; E245-N248 PolarHBondContact O-N 2.93Å; E246-N248 VanDerWaalsContact C-N 3.28Å; E246-N248 PolarHBondContact O-N 3.35Å; N248-G250 PolarHBondContact O-N 2.99Å; N248-L251 HydrophobicContact CB-CB 3.84Å; N248-L251 HydrophobicContact CB-CD2 4.36Å; N248-L251 WeakPolarHBondContact O-CB 3.13Å; N248-L251 PolarHBondContact O-N 3.44Å
249	P	91.9	Very high	96	Very high	124 Å²	124	64.4 Å²	64.4	81%	0.805	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-15.9	-171.8	-25.8	34.7	0	0	0	116.3
250	G	90.3	Very high	96	Very high	78 Å²	78	66.3 Å²	66.3	80%	0.804	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.8	-6.1	176.8	0	0	0	0	0	114.6	N248	N248-G250 PolarHBondContact O-N 2.99Å
251	L	96.1	Very high	95.8	Very high	20 Å²	20	69.4 Å²	69.4	11%	0.105	36%	0.36	C	S	.	.			trans	-95.7	124.6	-178.9	179.5	62.7	0	0	0	110.1	I210 L218 I221 N248 I253	I210-L251 HydrophobicContact CD1-CD2 3.77Å; I210-L251 HydrophobicContact CG1-CD2 3.68Å; L218-L251 HydrophobicContact CD2-CD1 3.85Å; L218-L251 HydrophobicContact CD2-CD2 4.16Å; L218-L251 HydrophobicContact CG-CD1 3.71Å; I221-L251 HydrophobicContact CD1-CD2 4.12Å; I221-L251 HydrophobicContact CG1-CD1 4.41Å; N248-L251 HydrophobicContact CB-CB 3.84Å; N248-L251 HydrophobicContact CB-CD2 4.36Å; N248-L251 WeakPolarHBondContact O-CB 3.13Å; N248-L251 PolarHBondContact O-N 3.44Å; L251-I253 HydrophobicContact CD2-CD1 4.31Å; L251-I253 HydrophobicContact CD2-CG1 4.26Å; L251-I253 HydrophobicContact CG-CG1 4.21Å
252	R	95.7	Very high	95.6	Very high	134 Å²	134	72.8 Å²	72.8	51%	0.506	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	121.3	173.3	178.4	-179.8	170.8	168.9	-2.3	110.6	E220 I221 T254	E220-R252 CarbonylContact C-O 3.46Å; E220-R252 WeakPolarHBondContact CA-O 3.47Å; E220-R252 HydrophobicContact CB-CB 4.08Å; E220-R252 WeakPolarHBondContact CB-O 3.35Å; I221-R252 PolarHBondContact N-O 3.32Å; R252-T254 PolarHBondContact NE-OG1 3.39Å; R252-T254 VanDerWaalsContact NE-OG1 3.11Å
253	I	97.8	Very high	95.5	Very high	13 Å²	13	67.1 Å²	67.1	7%	0.067	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	121.8	170.3	-52.8	-176.9	0	0	0	108.9	I221 M223 V241 L244 E245 L251	I221-I253 HydrophobicContact CB-CG1 4.44Å; I221-I253 CarbonylContact O-C 3.52Å; I221-I253 WeakPolarHBondContact O-CA 3.33Å; M223-I253 HydrophobicContact CG-CG2 4.28Å; M223-I253 HydrophobicContact SD-CG2 3.98Å; V241-I253 HydrophobicContact CG1-CB 3.96Å; V241-I253 HydrophobicContact CG1-CD1 4.2Å; V241-I253 HydrophobicContact CG1-CG2 3.64Å; V241-I253 HydrophobicContact CG2-CG2 4.32Å; L244-I253 HydrophobicContact CB-CD1 3.99Å; L244-I253 HydrophobicContact CD1-CD1 4.48Å; E245-I253 HydrophobicContact CG-CB 4.19Å; E245-I253 HydrophobicContact CG-CD1 4.06Å; E245-I253 HydrophobicContact CG-CG1 4.11Å; L251-I253 HydrophobicContact CD2-CD1 4.31Å; L251-I253 HydrophobicContact CD2-CG1 4.26Å; L251-I253 HydrophobicContact CG-CG1 4.21Å
254	T	96.6	Very high	95.3	Very high	26 Å²	26	66.8 Å²	66.8	16%	0.16	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	132.1	-176	-60	0	0	0	0	110.8	I221 I222 M223 R252	I221-T254 PolarHBondContact O-N 2.78Å; I222-T254 WeakPolarHBondContact CA-O 3.49Å; M223-T254 PolarHBondContact N-O 3.39Å; R252-T254 PolarHBondContact NE-OG1 3.39Å; R252-T254 VanDerWaalsContact NE-OG1 3.11Å
255	R	95.5	Very high	95.2	Very high	58 Å²	58	67 Å²	67	22%	0.219	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	124.4	173.5	-70.2	-72	-180	-174.1	-5.8	111.1	Y194 M223 L237 D238	Y194-R255 PolarHBondContact OH-NH1 3.45Å; M223-R255 PolarHBondContact SD-NH1 2.98Å; M223-R255 VanDerWaalsContact SD-NH1 3.41Å; M223-R255 PolarHBondContact SD-NH2 3.27Å; L237-R255 VanDerWaalsContact CD2-NH1 3.32Å; D238-R255 IonicContact OD1-NE 3.55Å
256	V	97.6	Very high	95.3	Very high	30 Å²	30	65.6 Å²	65.6	18%	0.182	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	117.2	168.6	179.7	0	0	0	0	107.3	I222 M223 V224 D225 A274	I222-V256 HydrophobicContact CG2-CG2 3.87Å; M223-V256 PolarHBondContact O-N 3.35Å; V224-V256 CarbonylContact C-O 3.53Å; V224-V256 WeakPolarHBondContact CA-O 3.42Å; V224-V256 HydrophobicContact CG1-CB 4.38Å; V224-V256 HydrophobicContact CG1-CG1 4.3Å; V224-V256 HydrophobicContact CG2-CB 4.22Å; D225-V256 PolarHBondContact N-O 2.87Å; V256-A274 HydrophobicContact CG2-CB 3.76Å
257	R	96.5	Very high	95.3	Very high	127 Å²	127	59.5 Å²	59.5	48%	0.479	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	127.3	179.6	-64.6	-175.9	178.5	165.9	1.9	110	D225 D238	D225-R257 HydrophobicContact CB-CB 4.5Å; D225-R257 HydrophobicContact CB-CG 4.06Å; D238-R257 VanDerWaalsContact CG-NH2 3.25Å; D238-R257 IonicContact OD1-NH2 2.85Å; D238-R257 PolarHBondContact OD1-NH2 2.74Å; D238-R257 IonicContact OD2-CZ 2.96Å; D238-R257 IonicContact OD2-NH2 2.91Å; D238-R257 PolarHBondContact OD2-NH2 3.12Å
258	H	97	Very high	95.3	Very high	23 Å²	23	54.9 Å²	54.9	11%	0.106	29%	0.289	C	S	.	.			trans	-85.2	148.2	170.6	-58.9	162.2	0	0	0	110.8	D225 D226 E260 K262 F266 S270	D225-H258 PolarHBondContact O-N 2.92Å; D226-H258 IonicContact OD1-CE1 2.84Å; D226-H258 IonicContact OD1-CG 3.91Å; D226-H258 IonicContact OD1-ND1 3.52Å; D226-H258 PolarHBondContact OD1-ND1 3.36Å; H258-E260 VanDerWaalsContact C-N 3.33Å; H258-E260 VanDerWaalsContact CB-O 3.27Å; H258-E260 WeakPolarHBondContact CB-O 3.48Å; H258-K262 HydrophobicContact CB-CG 4.45Å; H258-F266 AromaticContact CE1-CD1 3.54Å; H258-F266 AromaticContact CE1-CE1 3.82Å; H258-F266 AromaticContact NE2-CD1 3.82Å; H258-F266 AromaticContact NE2-CE1 3.66Å; H258-S270 WeakPolarHBondContact NE2-CB 3.27Å; H258-S270 PolarHBondContact NE2-OG 2.84Å
259	T	95.8	Very high	95.4	Very high	134 Å²	134	53.7 Å²	53.7	82%	0.822	28%	0.283	S	S	*	.	S	Bend	trans	-82	-14.8	176.8	54.2	0	0	0	0	113.2
260	E	94.8	Very high	95.7	Very high	104 Å²	104	48 Å²	48	49%	0.486	25%	0.246	S	C	.	.	S	Bend	trans	-150.1	161.6	175.7	64.2	-179.6	155.5	0	0	108.7	N227 H258 K262	N227-E260 VanDerWaalsContact CB-C 3.48Å; H258-E260 VanDerWaalsContact C-N 3.33Å; H258-E260 VanDerWaalsContact CB-O 3.27Å; H258-E260 WeakPolarHBondContact CB-O 3.48Å; E260-K262 HydrophobicContact CG-CD 3.95Å; E260-K262 PolarHBondContact O-N 3.37Å; E260-K262 WeakPolarHBondContact OE1-CE 3.18Å; E260-K262 IonicContact OE1-NZ 3.81Å; E260-K262 PolarHBondContact OE1-NZ 3.03Å
261	Q	93.2	Very high	96.1	Very high	95 Å²	95	44.3 Å²	44.3	44%	0.444	21%	0.208	S	C	.	.			trans	-70	118.2	177.7	-173.1	-175.1	-7.4	0	0	110.1	L195 D226	L195-Q261 HydrophobicContact CD2-CG 4.21Å; L195-Q261 VanDerWaalsContact CD2-NE2 3.28Å; D226-Q261 WeakPolarHBondContact OD2-CG 3.48Å
262	K	94.1	Very high	96.2	Very high	79 Å²	79	45.9 Å²	45.9	34%	0.343	21%	0.212	S	C	.	.			trans	-102.8	-19.2	-177.8	-63.2	-65.5	-166.8	177.4	0	113.1	D226 H258 E260 F266	D226-K262 PolarHBondContact OD1-N 3.18Å; D226-K262 PolarHBondContact OD2-N 3.34Å; H258-K262 HydrophobicContact CB-CG 4.45Å; E260-K262 HydrophobicContact CG-CD 3.95Å; E260-K262 PolarHBondContact O-N 3.37Å; E260-K262 WeakPolarHBondContact OE1-CE 3.18Å; E260-K262 IonicContact OE1-NZ 3.81Å; E260-K262 PolarHBondContact OE1-NZ 3.03Å; K262-F266 HydrophobicContact CB-CB 3.73Å; K262-F266 HydrophobicContact CB-CD1 3.35Å; K262-F266 HydrophobicContact CB-CD2 4.39Å; K262-F266 HydrophobicContact CB-CE1 4.05Å; K262-F266 HydrophobicContact CB-CG 3.56Å; K262-F266 HydrophobicContact CD-CD1 4.48Å; K262-F266 HydrophobicContact CD-CE1 4.45Å; K262-F266 HydrophobicContact CG-CD1 3.6Å; K262-F266 HydrophobicContact CG-CE1 3.75Å; K262-F266 HydrophobicContact CG-CG 4.11Å; K262-F266 HydrophobicContact CG-CZ 4.36Å
263	G	92.8	Very high	96.3	Very high	2 Å²	2	45.2 Å²	45.2	2%	0.021	21%	0.21	C	C	.	.			trans	92.5	167.2	-178.3	0	0	0	0	0	113.5	D226 A265 F266 A267	D226-G263 WeakPolarHBondContact OD2-CA 3.49Å; D226-G263 PolarHBondContact OD2-N 3.34Å; G263-A265 PolarHBondContact O-N 3.07Å; G263-F266 PolarHBondContact O-N 2.85Å; G263-A267 WeakPolarHBondContact O-CB 3.32Å; G263-A267 PolarHBondContact O-N 3.03Å
264	L	92.9	Very high	96.3	Very high	30 Å²	30	45.9 Å²	45.9	16%	0.157	22%	0.217	C	C	.	.	H	α-helix	trans	-60.6	-45	-166.8	-177.4	65.6	0	0	0	113.6	I193 F266 A267 R268 V386 Y387 E390	I193-L264 HydrophobicContact CG2-CD1 4.36Å; L264-F266 PolarHBondContact O-N 2.95Å; L264-A267 PolarHBondContact O-N 3.24Å; L264-R268 HydrophobicContact CD1-CG 4.34Å; L264-R268 WeakPolarHBondContact O-CB 3.43Å; L264-R268 WeakPolarHBondContact O-CG 3.19Å; L264-R268 PolarHBondContact O-N 3.41Å; L264-V386 WeakPolarHBondContact CB-O 3.3Å; L264-V386 PolarHBondContact N-O 3.44Å; L264-Y387 HydrophobicContact CD2-CD2 3.61Å; L264-Y387 HydrophobicContact CD2-CE2 3.85Å; L264-E390 WeakPolarHBondContact CD2-OE1 3.46Å
265	A	95.5	Very high	96.4	Very high	4 Å²	4	44.9 Å²	44.9	3%	0.033	21%	0.212	C	C	.	.	H	α-helix	trans	-62.6	-45	-178	0	0	0	0	0	112.1	G263 R268 A269 L380 D381 M384 E390	G263-A265 PolarHBondContact O-N 3.07Å; A265-R268 PolarHBondContact O-N 3.23Å; A265-A269 PolarHBondContact O-N 3.33Å; A265-L380 HydrophobicContact CB-CB 4.46Å; A265-D381 WeakPolarHBondContact CB-O 3.45Å; A265-M384 HydrophobicContact CB-CB 3.98Å; A265-E390 HydrophobicContact CB-CB 4.21Å
266	F	96.9	Very high	96.6	Very high	44 Å²	44	44.8 Å²	44.8	19%	0.193	22%	0.218	C	C	.	.	H	α-helix	trans	-64.7	-43	176.5	-174.3	-80.3	0	0	0	111.6	H258 K262 G263 L264 A269 S270 E382	H258-F266 AromaticContact CE1-CD1 3.54Å; H258-F266 AromaticContact CE1-CE1 3.82Å; H258-F266 AromaticContact NE2-CD1 3.82Å; H258-F266 AromaticContact NE2-CE1 3.66Å; K262-F266 HydrophobicContact CB-CB 3.73Å; K262-F266 HydrophobicContact CB-CD1 3.35Å; K262-F266 HydrophobicContact CB-CD2 4.39Å; K262-F266 HydrophobicContact CB-CE1 4.05Å; K262-F266 HydrophobicContact CB-CG 3.56Å; K262-F266 HydrophobicContact CD-CD1 4.48Å; K262-F266 HydrophobicContact CD-CE1 4.45Å; K262-F266 HydrophobicContact CG-CD1 3.6Å; K262-F266 HydrophobicContact CG-CE1 3.75Å; K262-F266 HydrophobicContact CG-CG 4.11Å; K262-F266 HydrophobicContact CG-CZ 4.36Å; G263-F266 PolarHBondContact O-N 2.85Å; L264-F266 PolarHBondContact O-N 2.95Å; F266-A269 PolarHBondContact O-N 3.18Å; F266-S270 PolarHBondContact O-N 3.34Å; F266-E382 HydrophobicContact CD2-CB 4.03Å; F266-E382 HydrophobicContact CD2-CG 4.19Å; F266-E382 VanDerWaalsContact CD2-OE2 3.26Å; F266-E382 WeakPolarHBondContact CD2-OE2 3.37Å; F266-E382 WeakPolarHBondContact CE2-OE2 3.42Å
267	A	97.1	Very high	96.6	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-65	-38.1	178.5	0	0	0	0	0	113.4	I193 V224 D226 G263 L264 A269 S270 G271	I193-A267 HydrophobicContact CG1-CB 4.25Å; I193-A267 HydrophobicContact CG2-CB 3.52Å; V224-A267 HydrophobicContact CG1-CB 3.95Å; D226-A267 HydrophobicContact CB-CB 4.32Å; G263-A267 WeakPolarHBondContact O-CB 3.32Å; G263-A267 PolarHBondContact O-N 3.03Å; L264-A267 PolarHBondContact O-N 3.24Å; A267-A269 VanDerWaalsContact C-N 3.35Å; A267-S270 PolarHBondContact O-N 3.03Å; A267-S270 PolarHBondContact O-OG 2.92Å; A267-G271 PolarHBondContact O-N 3.39Å
268	R	97.5	Very high	96.7	Very high	3 Å²	3	40.9 Å²	40.9	1%	0.011	21%	0.205	C	C	.	.	H	α-helix	trans	-61.2	-43.8	169.9	-71.8	-175.2	170	152.9	4.1	111.9	I193 L264 A265 G271 W272 I282 D284 G365 L380 E390	I193-R268 HydrophobicContact CD1-CB 3.88Å; I193-R268 HydrophobicContact CD1-CG 3.15Å; L264-R268 HydrophobicContact CD1-CG 4.34Å; L264-R268 WeakPolarHBondContact O-CB 3.43Å; L264-R268 WeakPolarHBondContact O-CG 3.19Å; L264-R268 PolarHBondContact O-N 3.41Å; A265-R268 PolarHBondContact O-N 3.23Å; R268-G271 PolarHBondContact O-N 2.87Å; R268-W272 PolarHBondContact O-N 2.82Å; R268-I282 HydrophobicContact CB-CD1 4.32Å; R268-I282 HydrophobicContact CB-CG2 4.22Å; R268-I282 HydrophobicContact CG-CG2 3.62Å; R268-D284 IonicContact NH2-OD1 2.73Å; R268-D284 PolarHBondContact NH2-OD1 3.05Å; R268-G365 PolarHBondContact NH2-O 3.21Å; R268-L380 HydrophobicContact CB-CD1 3.16Å; R268-L380 HydrophobicContact CG-CD1 3.97Å; R268-E390 IonicContact CZ-OE1 2.98Å; R268-E390 IonicContact NH1-OE1 2.8Å; R268-E390 PolarHBondContact NH1-OE1 2.65Å
269	A	97.8	Very high	96.8	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-67	-37.6	178.4	0	0	0	0	0	112.8	A265 F266 A267 W272 R273 V379 E382	A265-A269 PolarHBondContact O-N 3.33Å; F266-A269 PolarHBondContact O-N 3.18Å; A267-A269 VanDerWaalsContact C-N 3.35Å; A269-W272 PolarHBondContact O-N 3.08Å; A269-R273 WeakPolarHBondContact O-CG 3.38Å; A269-R273 PolarHBondContact O-N 3.35Å; A269-V379 HydrophobicContact CB-CG1 4.02Å; A269-E382 HydrophobicContact CB-CG 3.79Å; A269-E382 VanDerWaalsContact CB-OE1 3.3Å; A269-E382 WeakPolarHBondContact CB-OE1 3.35Å
270	S	98.3	Very high	96.9	Very high	5 Å²	5	33.5 Å²	33.5	4%	0.035	16%	0.162	C	C	.	.	H	α-helix	trans	-68.2	-37.8	176.4	71.1	0	0	0	0	112.6	V224 H258 F266 A267 R273 A274	V224-S270 WeakPolarHBondContact CG1-OG 3.21Å; H258-S270 WeakPolarHBondContact NE2-CB 3.27Å; H258-S270 PolarHBondContact NE2-OG 2.84Å; F266-S270 PolarHBondContact O-N 3.34Å; A267-S270 PolarHBondContact O-N 3.03Å; A267-S270 PolarHBondContact O-OG 2.92Å; S270-R273 PolarHBondContact O-N 3.03Å; S270-A274 PolarHBondContact O-N 2.83Å; S270-A274 VanDerWaalsContact O-N 3.17Å
271	G	98.3	Very high	97.1	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-62.5	-44.7	171.2	0	0	0	0	0	112.9	A267 R268 R273 A274 A275	A267-G271 PolarHBondContact O-N 3.39Å; R268-G271 PolarHBondContact O-N 2.87Å; G271-R273 VanDerWaalsContact C-N 3.34Å; G271-R273 PolarHBondContact O-N 3.38Å; G271-A274 PolarHBondContact O-N 3.37Å; G271-A275 PolarHBondContact O-N 2.78Å
272	W	98.4	Very high	97.4	Very high	52 Å²	52	24 Å²	24	20%	0.197	12%	0.117	C	C	.	.	H	α-helix	trans	-59.3	-42.4	173.1	170.5	86.5	0	0	0	112.4	R268 A269 A274 A275 R371 L374 V379	R268-W272 PolarHBondContact O-N 2.82Å; A269-W272 PolarHBondContact O-N 3.08Å; W272-A274 PolarHBondContact O-N 3.31Å; W272-A275 WeakPolarHBondContact O-CB 3.47Å; W272-A275 PolarHBondContact O-N 3Å; W272-A275 VanDerWaalsContact O-N 3.08Å; W272-R371 PolarHBondContact NE1-O 2.97Å; W272-L374 HydrophobicContact CG-CD2 4.47Å; W272-V379 HydrophobicContact CB-CG1 4.15Å; W272-V379 HydrophobicContact CD2-CG1 4.13Å; W272-V379 HydrophobicContact CD2-CG2 3.62Å; W272-V379 HydrophobicContact CE3-CB 4.49Å; W272-V379 HydrophobicContact CE3-CG1 4.25Å; W272-V379 HydrophobicContact CE3-CG2 3.46Å; W272-V379 VanDerWaalsContact CE3-CG2 3.46Å; W272-V379 HydrophobicContact CG-CG1 4.07Å; W272-V379 HydrophobicContact CG-CG2 4.35Å; W272-V379 HydrophobicContact CH2-CG2 3.89Å; W272-V379 HydrophobicContact CZ2-CG2 4.03Å; W272-V379 HydrophobicContact CZ3-CG2 3.61Å
273	R	98.2	Very high	97.6	Very high	121 Å²	121	20.3 Å²	20.3	46%	0.457	10%	0.101	S	C	.	.	H	α-helix	trans	-60.6	-33.4	177.6	-79.6	-177.2	-103.9	114.7	-6.5	112.7	A269 S270 G271 E382	A269-R273 WeakPolarHBondContact O-CG 3.38Å; A269-R273 PolarHBondContact O-N 3.35Å; S270-R273 PolarHBondContact O-N 3.03Å; G271-R273 VanDerWaalsContact C-N 3.34Å; G271-R273 PolarHBondContact O-N 3.38Å; R273-E382 IonicContact CZ-OE1 2.61Å; R273-E382 IonicContact NE-OE1 2.71Å; R273-E382 PolarHBondContact NE-OE1 2.54Å; R273-E382 IonicContact NH2-OE1 3.77Å; R273-E382 PolarHBondContact NH2-OE1 2.74Å; R273-E382 IonicContact NH2-OE2 3.6Å; R273-E382 PolarHBondContact NH2-OE2 2.95Å; R273-E382 VanDerWaalsContact NH2-OE2 3.09Å
274	A	98.5	Very high	97.6	Very high	26 Å²	26	21.7 Å²	21.7	22%	0.215	11%	0.108	C	C	.	.	H	α-helix	trans	-80.6	-15.8	177.8	0	0	0	0	0	113.5	I222 V256 S270 G271 W272	I222-A274 HydrophobicContact CG1-CB 4.44Å; I222-A274 HydrophobicContact CG2-CB 3.92Å; V256-A274 HydrophobicContact CG2-CB 3.76Å; S270-A274 PolarHBondContact O-N 2.83Å; S270-A274 VanDerWaalsContact O-N 3.17Å; G271-A274 PolarHBondContact O-N 3.37Å; W272-A274 PolarHBondContact O-N 3.31Å
275	A	98.4	Very high	97.7	Very high	6 Å²	6	20.2 Å²	20.2	5%	0.05	10%	0.101	C	C	.	.			trans	-76	142	-177	0	0	0	0	0	113.1	E220 I222 G271 W272 V280 R371	E220-A275 WeakPolarHBondContact OE1-CA 3.29Å; I222-A275 HydrophobicContact CD1-CB 3.74Å; G271-A275 PolarHBondContact O-N 2.78Å; W272-A275 WeakPolarHBondContact O-CB 3.47Å; W272-A275 PolarHBondContact O-N 3Å; W272-A275 VanDerWaalsContact O-N 3.08Å; A275-V280 HydrophobicContact CB-CG1 3.53Å; A275-R371 VanDerWaalsContact O-CD 3.29Å; A275-R371 WeakPolarHBondContact O-CD 3.43Å
276	T	98.3	Very high	97.8	Very high	56 Å²	56	21.1 Å²	21.1	34%	0.344	10%	0.104	S	C	.	.			trans	-123.6	-8.4	-179.9	72.9	0	0	0	0	113.9	K219 E220	K219-T276 PolarHBondContact NZ-O 3.17Å; E220-T276 WeakPolarHBondContact OE1-CA 3.3Å; E220-T276 PolarHBondContact OE1-N 3.06Å; E220-T276 PolarHBondContact OE1-OG1 3.17Å; E220-T276 PolarHBondContact OE2-OG1 2.64Å
277	A	98.5	Very high	97.9	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.096	C	C	.	.	S	Bend	trans	-65.8	167.4	173.6	0	0	0	0	0	113.6	K219 E220 V279 R371	K219-A277 HydrophobicContact CB-CB 4.26Å; K219-A277 HydrophobicContact CD-CB 3.93Å; E220-A277 PolarHBondContact OE1-N 2.95Å; A277-V279 WeakPolarHBondContact CB-O 3.44Å; A277-R371 WeakPolarHBondContact O-CD 3.32Å; A277-R371 PolarHBondContact O-NE 2.81Å
278	D	98.7	Very high	97.9	Very high	75 Å²	75	19.5 Å²	19.5	40%	0.401	10%	0.097	S	C	.	.	S	Bend	trans	-70.4	-42.2	177.1	-55.7	-52.7	0	0	0	110.5	P186 T187 R371	P186-D278 HydrophobicContact CB-CB 3.82Å; T187-D278 PolarHBondContact N-OD2 3.02Å; T187-D278 PolarHBondContact O-N 3.22Å; T187-D278 PolarHBondContact OG1-N 3.22Å; T187-D278 PolarHBondContact OG1-OD2 3.49Å; D278-R371 WeakPolarHBondContact O-CB 3.14Å; D278-R371 PolarHBondContact O-N 3.17Å
279	V	98.9	Very high	98	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.006	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	142.1	179	173.4	0	0	0	0	110.1	P186 T187 V188 G189 A277 L298 I301 V368 A369	P186-V279 HydrophobicContact CB-CG2 4.02Å; P186-V279 HydrophobicContact CG-CG2 3.89Å; T187-V279 PolarHBondContact O-N 3.44Å; V188-V279 WeakPolarHBondContact CA-O 3.49Å; V188-V279 HydrophobicContact CG2-CG1 4.33Å; G189-V279 PolarHBondContact N-O 3.08Å; A277-V279 WeakPolarHBondContact CB-O 3.44Å; V279-L298 HydrophobicContact CB-CD2 3.78Å; V279-L298 HydrophobicContact CG1-CD2 3.7Å; V279-L298 HydrophobicContact CG2-CD2 3.84Å; V279-I301 HydrophobicContact CG1-CD1 3.62Å; V279-I301 HydrophobicContact CG2-CB 4.43Å; V279-I301 HydrophobicContact CG2-CD1 4.17Å; V279-I301 HydrophobicContact CG2-CG2 3.83Å; V279-V368 HydrophobicContact CG1-CG1 3.38Å; V279-A369 WeakPolarHBondContact CA-O 3.48Å; V279-A369 WeakPolarHBondContact CG1-O 3.35Å
280	V	98.8	Very high	98	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	130.6	168.8	-71.5	0	0	0	0	110.5	G189 A275 V368 A369 R371 L374	G189-V280 WeakPolarHBondContact O-CA 3.25Å; A275-V280 HydrophobicContact CB-CG1 3.53Å; V280-V368 VanDerWaalsContact O-CA 3.29Å; V280-V368 WeakPolarHBondContact O-CA 3.31Å; V280-V368 WeakPolarHBondContact O-CG1 3.42Å; V280-A369 WeakPolarHBondContact CG2-O 3.37Å; V280-A369 PolarHBondContact N-O 2.8Å; V280-A369 PolarHBondContact O-N 2.91Å; V280-R371 HydrophobicContact CG1-CB 3.99Å; V280-R371 HydrophobicContact CG1-CG 3.78Å; V280-L374 HydrophobicContact CG2-CD2 3.88Å
281	A	98.8	Very high	97.9	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	108.6	168.4	0	0	0	0	0	108.8	V188 G189 V190 V191 L283 W293 V368	V188-A281 HydrophobicContact CG2-CB 3.79Å; G189-A281 PolarHBondContact O-N 3.26Å; V190-A281 CarbonylContact C-O 3.55Å; V190-A281 WeakPolarHBondContact CA-O 3.49Å; V190-A281 HydrophobicContact CG2-CB 4.35Å; V191-A281 PolarHBondContact N-O 2.85Å; A281-L283 HydrophobicContact CB-CD2 4.23Å; A281-W293 HydrophobicContact CB-CH2 3.98Å; A281-W293 HydrophobicContact CB-CZ3 4.37Å; A281-V368 HydrophobicContact CB-CB 4.43Å; A281-V368 HydrophobicContact CB-CG1 4.03Å; A281-V368 HydrophobicContact CB-CG2 3.75Å
282	I	98.5	Very high	97.8	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	110.4	179.4	-56.1	-178.4	0	0	0	107.8	V191 I193 R268 L367 L374	V191-I282 HydrophobicContact CB-CG1 4.21Å; V191-I282 HydrophobicContact CG2-CG1 4.45Å; I193-I282 HydrophobicContact CD1-CG2 4.02Å; R268-I282 HydrophobicContact CB-CD1 4.32Å; R268-I282 HydrophobicContact CB-CG2 4.22Å; R268-I282 HydrophobicContact CG-CG2 3.62Å; I282-L367 HydrophobicContact CB-CG 4.23Å; I282-L367 HydrophobicContact CD1-CD1 4.24Å; I282-L367 HydrophobicContact CD1-CG 4.5Å; I282-L367 PolarHBondContact N-O 3.13Å; I282-L367 PolarHBondContact O-N 2.88Å; I282-L374 HydrophobicContact CD1-CD2 4.31Å
283	L	97.8	Very high	97.7	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.005	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	155.5	-175.7	-43	-177.3	0	0	0	110.9	V190 V191 L192 I209 A281 I287 V289 W293 I366 I413	V190-L283 HydrophobicContact CG1-CD1 3.55Å; V190-L283 HydrophobicContact CG1-CG 3.88Å; V191-L283 PolarHBondContact O-N 3.47Å; L192-L283 HydrophobicContact CD2-CB 3.89Å; I209-L283 HydrophobicContact CD1-CD1 4.12Å; I209-L283 HydrophobicContact CG1-CD1 4.37Å; A281-L283 HydrophobicContact CB-CD2 4.23Å; L283-I287 HydrophobicContact CB-CG1 4.4Å; L283-I287 HydrophobicContact CD1-CD1 4.11Å; L283-I287 HydrophobicContact CD1-CG1 4.46Å; L283-V289 HydrophobicContact CD1-CG1 4.34Å; L283-W293 HydrophobicContact CD1-CH2 4Å; L283-W293 HydrophobicContact CD1-CZ3 4.36Å; L283-W293 HydrophobicContact CD2-CH2 4.39Å; L283-W293 HydrophobicContact CD2-CZ3 4.15Å; L283-I366 HydrophobicContact CD2-CG2 3.39Å; L283-I413 HydrophobicContact CD2-CD1 4.03Å
284	D	94.4	Very high	97.7	Very high	31 Å²	31	19.6 Å²	19.6	17%	0.166	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	156.7	166.7	-69.3	-1.1	0	0	0	110	L192 R268 H286 I287 H415	L192-D284 WeakPolarHBondContact CD2-O 3.45Å; R268-D284 IonicContact NH2-OD1 2.73Å; R268-D284 PolarHBondContact NH2-OD1 3.05Å; D284-H286 VanDerWaalsContact C-N 3.3Å; D284-H286 PolarHBondContact O-N 3.23Å; D284-H286 IonicContact OD2-NE2 3.93Å; D284-I287 HydrophobicContact CB-CG2 4.22Å; D284-I287 WeakPolarHBondContact O-CG1 3.35Å; D284-H415 IonicContact OD2-CD2 3.75Å; D284-H415 IonicContact OD2-CE1 2.81Å; D284-H415 IonicContact OD2-NE2 3.91Å; D284-H415 PolarHBondContact OD2-NE2 2.95Å
285	A	95.1	Very high	97.7	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.1	C	C	.	.	S	Bend	trans	-75.7	-13.1	-177.6	0	0	0	0	0	115.2	I193 E197 L202 A205	I193-A285 WeakPolarHBondContact O-CB 3.5Å; E197-A285 HydrophobicContact CB-CB 4.49Å; E197-A285 HydrophobicContact CG-CB 3.87Å; L202-A285 HydrophobicContact CD1-CB 3.99Å; A205-A285 WeakPolarHBondContact CB-O 3.33Å
286	H	96.7	Very high	97.7	Very high	22 Å²	22	19 Å²	19	10%	0.102	10%	0.099	C	C	.	.	S	Bend	trans	-109.7	58.7	-175.5	40.9	-86.7	0	0	0	111.9	E197 I201 D284 H415 I416 R418	E197-H286 IonicContact OE2-CE1 3.49Å; E197-H286 IonicContact OE2-CG 3.51Å; E197-H286 IonicContact OE2-ND1 2.73Å; E197-H286 PolarHBondContact OE2-ND1 2.82Å; I201-H286 VanDerWaalsContact CG2-CA 3.45Å; I201-H286 HydrophobicContact CG2-CB 3.52Å; D284-H286 VanDerWaalsContact C-N 3.3Å; D284-H286 PolarHBondContact O-N 3.23Å; D284-H286 IonicContact OD2-NE2 3.93Å; H286-H415 AromaticContact CD2-CE1 3.65Å; H286-H415 AromaticContact CD2-NE2 3.55Å; H286-H415 AromaticContact NE2-CE1 3.62Å; H286-H415 AromaticContact NE2-NE2 3.47Å; H286-H415 PolarHBondContact NE2-NE2 2.77Å; H286-I416 HydrophobicContact CB-CB 4.25Å; H286-I416 HydrophobicContact CB-CD1 4.14Å; H286-I416 HydrophobicContact CB-CG1 4.48Å; H286-I416 PolarHBondContact O-N 2.91Å; H286-I416 VanDerWaalsContact O-N 3.13Å; H286-R418 PolarHBondContact CE1-NH2 2.79Å; H286-R418 PolarHBondContact ND1-NH2 2.76Å; H286-R418 VanDerWaalsContact ND1-NH2 3.12Å
287	I	98.1	Very high	97.8	Very high	5 Å²	5	16.4 Å²	16.4	3%	0.026	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	160.1	-176.5	63.1	80.7	0	0	0	112.5	A205 I209 L283 D284 V289 I366 I413 A414 H415	A205-I287 VanDerWaalsContact CA-O 3.3Å; A205-I287 WeakPolarHBondContact CA-O 3.44Å; A205-I287 HydrophobicContact CB-CD1 4.14Å; A205-I287 HydrophobicContact CB-CG1 4.32Å; A205-I287 WeakPolarHBondContact CB-O 3.4Å; I209-I287 HydrophobicContact CD1-CD1 4.22Å; I209-I287 HydrophobicContact CG1-CD1 4.29Å; L283-I287 HydrophobicContact CB-CG1 4.4Å; L283-I287 HydrophobicContact CD1-CD1 4.11Å; L283-I287 HydrophobicContact CD1-CG1 4.46Å; D284-I287 HydrophobicContact CB-CG2 4.22Å; D284-I287 WeakPolarHBondContact O-CG1 3.35Å; I287-V289 HydrophobicContact CD1-CG1 3.89Å; I287-I366 HydrophobicContact CG2-CD1 4.13Å; I287-I413 HydrophobicContact CB-CG2 3.73Å; I287-I413 HydrophobicContact CG1-CG2 4.45Å; I287-I413 HydrophobicContact CG2-CG2 3.99Å; I287-A414 CarbonylContact C-O 3.17Å; I287-A414 WeakPolarHBondContact CA-O 3.42Å; I287-H415 HydrophobicContact CG2-CB 4.28Å
288	E	98.6	Very high	97.8	Very high	5 Å²	5	16.5 Å²	16.5	2%	0.023	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	120.8	161.2	-64.9	172.3	-99.3	0	0	107.9	R166 L168 R204 S208 A414	R166-E288 WeakPolarHBondContact CG-OE2 3.22Å; R166-E288 IonicContact CZ-OE1 3.42Å; R166-E288 IonicContact NE-OE1 2.77Å; R166-E288 PolarHBondContact NE-OE1 2.83Å; R166-E288 IonicContact NE-OE2 2.81Å; R166-E288 PolarHBondContact NE-OE2 3.44Å; R166-E288 VanDerWaalsContact NE-OE2 3.12Å; R166-E288 IonicContact NH2-OE1 3.6Å; R166-E288 PolarHBondContact NH2-OE1 3.06Å; L168-E288 HydrophobicContact CD1-CB 3.84Å; L168-E288 HydrophobicContact CD2-CB 4.23Å; R204-E288 WeakPolarHBondContact CD-OE1 3.44Å; R204-E288 WeakPolarHBondContact CD-OE2 3.45Å; R204-E288 HydrophobicContact CG-CG 3.78Å; S208-E288 WeakPolarHBondContact OG-CA 3.43Å; E288-A414 HydrophobicContact CB-CB 4.38Å; E288-A414 PolarHBondContact N-O 3.48Å; E288-A414 WeakPolarHBondContact O-CB 3.47Å; E288-A414 PolarHBondContact O-N 3.07Å
289	V	98.6	Very high	97.8	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	147.2	178.3	-60.5	0	0	0	0	110.7	S208 I209 R212 L283 I287 W293 I413	S208-V289 VanDerWaalsContact O-CG2 3.29Å; S208-V289 WeakPolarHBondContact O-CG2 3.22Å; S208-V289 WeakPolarHBondContact OG-CG2 3.16Å; S208-V289 PolarHBondContact OG-N 2.88Å; S208-V289 PolarHBondContact OG-O 3.43Å; I209-V289 HydrophobicContact CG1-CG1 4.2Å; I209-V289 HydrophobicContact CG1-CG2 4.44Å; R212-V289 HydrophobicContact CB-CG2 4.1Å; R212-V289 WeakPolarHBondContact CD-O 3.49Å; R212-V289 PolarHBondContact NH1-O 3.09Å; L283-V289 HydrophobicContact CD1-CG1 4.34Å; I287-V289 HydrophobicContact CD1-CG1 3.89Å; V289-W293 HydrophobicContact CB-CB 4.22Å; V289-W293 HydrophobicContact CB-CD2 3.84Å; V289-W293 HydrophobicContact CB-CG 3.61Å; V289-W293 HydrophobicContact CG1-CD2 3.72Å; V289-W293 HydrophobicContact CG1-CE3 4.11Å; V289-W293 HydrophobicContact CG1-CG 4.07Å; V289-W293 HydrophobicContact CG1-CH2 4.47Å; V289-W293 HydrophobicContact CG1-CZ2 4.13Å; V289-W293 HydrophobicContact CG1-CZ3 4.46Å; V289-W293 HydrophobicContact CG2-CD2 4.45Å; V289-W293 HydrophobicContact CG2-CG 4.16Å; V289-I413 HydrophobicContact CB-CG1 4.5Å; V289-I413 HydrophobicContact CG1-CD1 4Å; V289-I413 HydrophobicContact CG1-CG1 4.06Å; V289-I413 HydrophobicContact CG1-CG2 4.49Å
290	H	97.8	Very high	97.7	Very high	6 Å²	6	17.1 Å²	17.1	3%	0.028	9%	0.086	C	C	.	.	P	Polyproline II helix	trans	-83.6	169	172.9	-74.3	-118	0	0	0	111.8	P169 T171 W293 D314 K412	P169-H290 PolarHBondContact O-CE1 3.39Å; P169-H290 PolarHBondContact O-ND1 2.97Å; T171-H290 PolarHBondContact OG1-CE1 3.5Å; H290-W293 WeakPolarHBondContact O-CB 3.48Å; H290-W293 PolarHBondContact O-N 3.41Å; H290-D314 IonicContact CE1-OD2 3.95Å; H290-D314 IonicContact NE2-OD2 3.87Å; H290-K412 HydrophobicContact CB-CB 3.82Å; H290-K412 WeakPolarHBondContact CB-O 3.07Å; H290-K412 PolarHBondContact CD2-O 3.21Å; H290-K412 PolarHBondContact N-O 3.05Å
291	E	95.8	Very high	97.7	Very high	108 Å²	108	17.4 Å²	17.4	51%	0.505	9%	0.088	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	138.3	167.2	-67	-63.4	161.6	0	0	111.5	R172 W293	R172-E291 PolarHBondContact NH1-O 3.19Å; E291-W293 VanDerWaalsContact C-N 3.29Å; E291-W293 PolarHBondContact O-N 3.18Å
292	L	95.9	Very high	97.7	Very high	65 Å²	65	21.6 Å²	21.6	34%	0.34	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.5	36.9	-175.1	-56.8	175.6	0	0	0	113.8	E295 P296	L292-E295 VanDerWaalsContact CA-OE2 3.25Å; L292-E295 WeakPolarHBondContact CA-OE2 3.34Å; L292-E295 HydrophobicContact CD2-CG 4.46Å; L292-E295 WeakPolarHBondContact CD2-OE1 3.41Å; L292-P296 WeakPolarHBondContact O-CD 3.45Å; L292-P296 WeakPolarHBondContact O-CG 3.3Å
293	W	98.1	Very high	97.7	Very high	2 Å²	2	25.6 Å²	25.6	1%	0.008	14%	0.139	C	C	.	.			trans	-74.5	-34.8	176.7	79.2	-76.7	0	0	0	112.5	V190 T213 A281 L283 V289 H290 E291 L297 S411 I413	V190-W293 HydrophobicContact CG2-CH2 4.28Å; V190-W293 HydrophobicContact CG2-CZ2 4.3Å; T213-W293 PolarHBondContact OG1-NE1 3.47Å; A281-W293 HydrophobicContact CB-CH2 3.98Å; A281-W293 HydrophobicContact CB-CZ3 4.37Å; L283-W293 HydrophobicContact CD1-CH2 4Å; L283-W293 HydrophobicContact CD1-CZ3 4.36Å; L283-W293 HydrophobicContact CD2-CH2 4.39Å; L283-W293 HydrophobicContact CD2-CZ3 4.15Å; V289-W293 HydrophobicContact CB-CB 4.22Å; V289-W293 HydrophobicContact CB-CD2 3.84Å; V289-W293 HydrophobicContact CB-CG 3.61Å; V289-W293 HydrophobicContact CG1-CD2 3.72Å; V289-W293 HydrophobicContact CG1-CE3 4.11Å; V289-W293 HydrophobicContact CG1-CG 4.07Å; V289-W293 HydrophobicContact CG1-CH2 4.47Å; V289-W293 HydrophobicContact CG1-CZ2 4.13Å; V289-W293 HydrophobicContact CG1-CZ3 4.46Å; V289-W293 HydrophobicContact CG2-CD2 4.45Å; V289-W293 HydrophobicContact CG2-CG 4.16Å; H290-W293 WeakPolarHBondContact O-CB 3.48Å; H290-W293 PolarHBondContact O-N 3.41Å; E291-W293 VanDerWaalsContact C-N 3.29Å; E291-W293 PolarHBondContact O-N 3.18Å; W293-L297 HydrophobicContact CE3-CD1 3.94Å; W293-L297 HydrophobicContact CZ3-CD1 4.12Å; W293-L297 WeakPolarHBondContact O-CD1 3.29Å; W293-L297 WeakPolarHBondContact O-CG 3.44Å; W293-S411 VanDerWaalsContact O-CB 3.28Å; W293-S411 WeakPolarHBondContact O-CB 3.43Å; W293-S411 PolarHBondContact O-OG 2.9Å; W293-I413 HydrophobicContact CE3-CD1 3.75Å; W293-I413 HydrophobicContact CE3-CG1 4.22Å; W293-I413 HydrophobicContact CZ3-CD1 3.94Å
294	A	98.5	Very high	97.8	Very high	2 Å²	2	28.6 Å²	28.6	2%	0.017	16%	0.155	C	C	.	.	H	α-helix	trans	-82.3	-44.6	-170.6	0	0	0	0	0	112	T213 P296 L297 L298	T213-A294 HydrophobicContact CG2-CB 4.18Å; A294-P296 VanDerWaalsContact C-CD 3.49Å; A294-L297 WeakPolarHBondContact O-CB 3.33Å; A294-L297 PolarHBondContact O-N 2.82Å; A294-L298 HydrophobicContact CB-CD1 4.17Å; A294-L298 VanDerWaalsContact O-CG 3.3Å; A294-L298 WeakPolarHBondContact O-CG 3.31Å; A294-L298 PolarHBondContact O-N 2.93Å
295	E	98.4	Very high	97.9	Very high	19 Å²	19	32 Å²	32	9%	0.089	17%	0.166	C	C	.	.	H	α-helix	trans	-57.6	-44.9	-172.6	-59	89.5	145.7	0	0	113.7	Y181 L185 P214 L217 L292 L297 L298 T299	Y181-E295 HydrophobicContact CD1-CB 4.47Å; Y181-E295 HydrophobicContact CD2-CB 3.79Å; Y181-E295 HydrophobicContact CG-CB 3.77Å; L185-E295 HydrophobicContact CD1-CB 3.85Å; L185-E295 HydrophobicContact CD1-CG 4.04Å; P214-E295 WeakPolarHBondContact CG-OE1 3.45Å; L217-E295 HydrophobicContact CD1-CG 3.97Å; L292-E295 VanDerWaalsContact CA-OE2 3.25Å; L292-E295 WeakPolarHBondContact CA-OE2 3.34Å; L292-E295 HydrophobicContact CD2-CG 4.46Å; L292-E295 WeakPolarHBondContact CD2-OE1 3.41Å; E295-L297 VanDerWaalsContact C-N 3.3Å; E295-L297 PolarHBondContact O-N 3.13Å; E295-L298 PolarHBondContact O-N 3.43Å; E295-T299 VanDerWaalsContact O-CB 3.31Å; E295-T299 WeakPolarHBondContact O-CB 3.16Å; E295-T299 PolarHBondContact O-N 3.36Å; E295-T299 PolarHBondContact O-OG1 3.46Å
296	P	98.3	Very high	98.1	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.013	18%	0.175	C	C	.	.	H	α-helix	trans	-62.4	-37.1	176.1	-13.8	24.5	0	0	0	112.6	Y181 L292 A294 Q300 V408 C410	Y181-P296 HydrophobicContact CE1-CB 3.86Å; Y181-P296 HydrophobicContact CE1-CG 4.05Å; Y181-P296 HydrophobicContact CE2-CG 3.96Å; Y181-P296 WeakPolarHBondContact OH-CG 3.37Å; L292-P296 WeakPolarHBondContact O-CD 3.45Å; L292-P296 WeakPolarHBondContact O-CG 3.3Å; A294-P296 VanDerWaalsContact C-CD 3.49Å; P296-Q300 PolarHBondContact O-N 2.99Å; P296-V408 HydrophobicContact CB-CG1 3.73Å; P296-C410 HydrophobicContact CB-CB 4.12Å; P296-C410 HydrophobicContact CG-CB 4.12Å
297	L	98.7	Very high	98.2	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.005	17%	0.171	C	C	.	.	H	α-helix	trans	-71	-49.4	179.7	-59.4	174.9	0	0	0	110.7	W293 A294 E295 T299 Q300 I301 V309 P311 V368 V408 S411	W293-L297 HydrophobicContact CE3-CD1 3.94Å; W293-L297 HydrophobicContact CZ3-CD1 4.12Å; W293-L297 WeakPolarHBondContact O-CD1 3.29Å; W293-L297 WeakPolarHBondContact O-CG 3.44Å; A294-L297 WeakPolarHBondContact O-CB 3.33Å; A294-L297 PolarHBondContact O-N 2.82Å; E295-L297 VanDerWaalsContact C-N 3.3Å; E295-L297 PolarHBondContact O-N 3.13Å; L297-T299 PolarHBondContact O-N 3.34Å; L297-Q300 PolarHBondContact O-N 3.46Å; L297-Q300 VanDerWaalsContact O-N 3.12Å; L297-I301 PolarHBondContact O-N 2.79Å; L297-V309 HydrophobicContact CB-CG2 3.78Å; L297-V309 HydrophobicContact CD2-CB 4.09Å; L297-V309 HydrophobicContact CD2-CG2 3.74Å; L297-V309 HydrophobicContact CG-CG2 4.31Å; L297-P311 HydrophobicContact CD1-CB 4.45Å; L297-V368 HydrophobicContact CD1-CG2 3.82Å; L297-V408 HydrophobicContact CD2-CB 3.72Å; L297-V408 HydrophobicContact CD2-CG1 4.33Å; L297-V408 HydrophobicContact CD2-CG2 3.8Å; L297-S411 WeakPolarHBondContact CD1-OG 3.45Å; L297-S411 WeakPolarHBondContact CG-OG 3.46Å
298	L	98.8	Very high	98.2	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.005	17%	0.17	C	C	.	.	H	α-helix	trans	-63.4	-32	178.9	-63.7	173.1	0	0	0	111.9	L185 P186 V188 L217 V279 A294 E295 Q300 I301 K302	L185-L298 HydrophobicContact CB-CB 4.2Å; L185-L298 HydrophobicContact CB-CD1 4.39Å; L185-L298 HydrophobicContact CD1-CB 4.25Å; L185-L298 HydrophobicContact CD2-CB 4.35Å; P186-L298 HydrophobicContact CG-CB 4.3Å; P186-L298 HydrophobicContact CG-CD2 4.21Å; V188-L298 HydrophobicContact CB-CD1 4.42Å; V188-L298 HydrophobicContact CB-CD2 4.11Å; V188-L298 HydrophobicContact CG1-CD1 4.49Å; V188-L298 HydrophobicContact CG2-CD2 4.5Å; L217-L298 HydrophobicContact CB-CD1 4.42Å; L217-L298 HydrophobicContact CD1-CD1 4.05Å; L217-L298 HydrophobicContact CD2-CD1 4.45Å; V279-L298 HydrophobicContact CB-CD2 3.78Å; V279-L298 HydrophobicContact CG1-CD2 3.7Å; V279-L298 HydrophobicContact CG2-CD2 3.84Å; A294-L298 HydrophobicContact CB-CD1 4.17Å; A294-L298 VanDerWaalsContact O-CG 3.3Å; A294-L298 WeakPolarHBondContact O-CG 3.31Å; A294-L298 PolarHBondContact O-N 2.93Å; E295-L298 PolarHBondContact O-N 3.43Å; L298-Q300 VanDerWaalsContact C-N 3.34Å; L298-Q300 PolarHBondContact O-N 3.18Å; L298-I301 PolarHBondContact O-N 2.93Å; L298-K302 VanDerWaalsContact O-CB 3.31Å; L298-K302 WeakPolarHBondContact O-CB 3.41Å; L298-K302 PolarHBondContact O-N 3.27Å
299	T	98.5	Very high	98.2	Very high	43 Å²	43	32.2 Å²	32.2	26%	0.264	17%	0.169	S	C	.	.	H	α-helix	trans	-61.2	-41.7	174	-62.1	0	0	0	0	111.7	Y181 E295 L297 A303	Y181-T299 WeakPolarHBondContact CD1-OG1 3.43Å; E295-T299 VanDerWaalsContact O-CB 3.31Å; E295-T299 WeakPolarHBondContact O-CB 3.16Å; E295-T299 PolarHBondContact O-N 3.36Å; E295-T299 PolarHBondContact O-OG1 3.46Å; L297-T299 PolarHBondContact O-N 3.34Å; T299-A303 PolarHBondContact O-N 3.42Å; T299-A303 VanDerWaalsContact O-N 3.14Å
300	Q	98.5	Very high	98.2	Very high	46 Å²	46	32.2 Å²	32.2	22%	0.215	17%	0.169	C	C	.	.	H	α-helix	trans	-67.4	-43.3	177.8	-60.8	-38.1	-59.8	0	0	111.6	P296 L297 L298 K302 A303 D304 V309 P357 V408	P296-Q300 PolarHBondContact O-N 2.99Å; L297-Q300 PolarHBondContact O-N 3.46Å; L297-Q300 VanDerWaalsContact O-N 3.12Å; L298-Q300 VanDerWaalsContact C-N 3.34Å; L298-Q300 PolarHBondContact O-N 3.18Å; Q300-K302 VanDerWaalsContact C-N 3.35Å; Q300-K302 PolarHBondContact O-N 3.19Å; Q300-A303 PolarHBondContact O-N 3.15Å; Q300-D304 PolarHBondContact O-N 3.01Å; Q300-V309 HydrophobicContact CB-CG1 3.66Å; Q300-V309 HydrophobicContact CG-CG1 4.15Å; Q300-P357 VanDerWaalsContact CD-CG 3.46Å; Q300-P357 HydrophobicContact CG-CG 3.94Å; Q300-V408 HydrophobicContact CG-CG2 3.88Å
301	I	98.8	Very high	98.3	Very high	6 Å²	6	31.9 Å²	31.9	3%	0.031	17%	0.168	C	C	.	.	H	α-helix	trans	-68	-36.5	179.9	-61.3	168.7	0	0	0	111.3	V279 L297 L298 A303 D304 R305 V309 V368 D370	V279-I301 HydrophobicContact CG1-CD1 3.62Å; V279-I301 HydrophobicContact CG2-CB 4.43Å; V279-I301 HydrophobicContact CG2-CD1 4.17Å; V279-I301 HydrophobicContact CG2-CG2 3.83Å; L297-I301 PolarHBondContact O-N 2.79Å; L298-I301 PolarHBondContact O-N 2.93Å; I301-A303 VanDerWaalsContact C-N 3.29Å; I301-A303 PolarHBondContact O-N 3.32Å; I301-D304 CarbonylContact O-C 3.58Å; I301-D304 PolarHBondContact O-N 2.93Å; I301-R305 WeakPolarHBondContact O-CA 3.44Å; I301-R305 PolarHBondContact O-N 2.83Å; I301-R305 VanDerWaalsContact O-N 3.13Å; I301-V309 HydrophobicContact CD1-CG2 3.91Å; I301-V309 HydrophobicContact CG1-CG2 4.07Å; I301-V368 HydrophobicContact CD1-CB 4.37Å; I301-V368 HydrophobicContact CD1-CG1 3.75Å; I301-D370 HydrophobicContact CG2-CB 3.89Å
302	K	98.4	Very high	98.3	Very high	88 Å²	88	27.1 Å²	27.1	38%	0.383	15%	0.146	S	C	.	.	H	α-helix	trans	-61.8	-39.7	173.7	-174.7	179.8	179.7	-177.4	0	111.2	E182 D184 L185 L298 Q300	E182-K302 IonicContact OE2-NZ 2.74Å; E182-K302 PolarHBondContact OE2-NZ 3.03Å; D184-K302 WeakPolarHBondContact O-CE 3.43Å; D184-K302 PolarHBondContact O-NZ 3.32Å; D184-K302 IonicContact OD2-NZ 3.36Å; D184-K302 PolarHBondContact OD2-NZ 3.19Å; L185-K302 HydrophobicContact CD2-CD 4.11Å; L298-K302 VanDerWaalsContact O-CB 3.31Å; L298-K302 WeakPolarHBondContact O-CB 3.41Å; L298-K302 PolarHBondContact O-N 3.27Å; Q300-K302 VanDerWaalsContact C-N 3.35Å; Q300-K302 PolarHBondContact O-N 3.19Å
303	A	98.3	Very high	98.4	Very high	84 Å²	84	24.8 Å²	24.8	69%	0.694	13%	0.133	S	C	*	.	H	α-helix	trans	-69.6	-40.2	178.3	0	0	0	0	0	112.3	T299 Q300 I301	T299-A303 PolarHBondContact O-N 3.42Å; T299-A303 VanDerWaalsContact O-N 3.14Å; Q300-A303 PolarHBondContact O-N 3.15Å; I301-A303 VanDerWaalsContact C-N 3.29Å; I301-A303 PolarHBondContact O-N 3.32Å
304	D	98.6	Very high	98.3	Very high	64 Å²	64	24.8 Å²	24.8	34%	0.342	13%	0.133	S	C	.	.			trans	-145.9	107.5	174.8	174.9	11.9	0	0	0	110.9	Q300 I301 T306 T307	Q300-D304 PolarHBondContact O-N 3.01Å; I301-D304 CarbonylContact O-C 3.58Å; I301-D304 PolarHBondContact O-N 2.93Å; D304-T306 VanDerWaalsContact CG-OG1 3.32Å; D304-T306 PolarHBondContact O-N 3.21Å; D304-T306 WeakPolarHBondContact OD1-CB 3.41Å; D304-T306 PolarHBondContact OD1-N 2.81Å; D304-T306 PolarHBondContact OD1-OG1 2.85Å; D304-T306 PolarHBondContact OD2-OG1 2.77Å; D304-T307 WeakPolarHBondContact O-CB 3.44Å; D304-T307 PolarHBondContact O-N 3.21Å; D304-T307 PolarHBondContact OD2-OG1 3.21Å
305	R	98.4	Very high	98.2	Very high	103 Å²	103	28.2 Å²	28.2	39%	0.389	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-18.3	-178.6	78.7	174	-161.5	109.6	5.7	113.8	I301 T307 D370 E376	I301-R305 WeakPolarHBondContact O-CA 3.44Å; I301-R305 PolarHBondContact O-N 2.83Å; I301-R305 VanDerWaalsContact O-N 3.13Å; R305-T307 VanDerWaalsContact C-N 3.3Å; R305-D370 HydrophobicContact CB-CB 4.15Å; R305-D370 IonicContact NH1-OD1 3.09Å; R305-D370 VanDerWaalsContact O-CB 3.31Å; R305-D370 WeakPolarHBondContact O-CB 3.02Å; R305-E376 IonicContact CZ-OE1 2.7Å; R305-E376 IonicContact CZ-OE2 2.68Å; R305-E376 IonicContact NH1-OE1 3.66Å; R305-E376 PolarHBondContact NH1-OE1 3.47Å; R305-E376 IonicContact NH1-OE2 3.82Å; R305-E376 PolarHBondContact NH1-OE2 2.77Å; R305-E376 IonicContact NH2-OE1 2.8Å; R305-E376 PolarHBondContact NH2-OE1 3.34Å; R305-E376 IonicContact NH2-OE2 2.78Å; R305-E376 PolarHBondContact NH2-OE2 3.14Å
306	T	98.6	Very high	98.2	Very high	32 Å²	32	27.4 Å²	27.4	20%	0.196	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	0.9	-179	71.5	0	0	0	0	113.1	D304 F373 G403 S404	D304-T306 VanDerWaalsContact CG-OG1 3.32Å; D304-T306 PolarHBondContact O-N 3.21Å; D304-T306 WeakPolarHBondContact OD1-CB 3.41Å; D304-T306 PolarHBondContact OD1-N 2.81Å; D304-T306 PolarHBondContact OD1-OG1 2.85Å; D304-T306 PolarHBondContact OD2-OG1 2.77Å; T306-F373 HydrophobicContact CG2-CD2 3.99Å; T306-F373 HydrophobicContact CG2-CE2 3.94Å; T306-F373 WeakPolarHBondContact O-CE1 3.32Å; T306-F373 WeakPolarHBondContact O-CZ 3.32Å; T306-G403 WeakPolarHBondContact O-CA 3.22Å; T306-S404 PolarHBondContact O-N 2.72Å
307	T	98.7	Very high	98.2	Very high	4 Å²	4	28 Å²	28	3%	0.025	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	125.9	176.2	-67.8	0	0	0	0	111	D304 R305 V309 S404 E406	D304-T307 WeakPolarHBondContact O-CB 3.44Å; D304-T307 PolarHBondContact O-N 3.21Å; D304-T307 PolarHBondContact OD2-OG1 3.21Å; R305-T307 VanDerWaalsContact C-N 3.3Å; T307-V309 HydrophobicContact CG2-CG1 3.71Å; T307-S404 WeakPolarHBondContact CA-O 3.37Å; T307-S404 PolarHBondContact OG1-OG 3.42Å; T307-E406 HydrophobicContact CG2-CB 4.34Å; T307-E406 HydrophobicContact CG2-CG 4.17Å
308	V	98.8	Very high	98.1	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	126.1	169	179	0	0	0	0	108	L367 A369 F373 V398 S404 I405 E406	V308-L367 HydrophobicContact CG1-CB 4.18Å; V308-L367 HydrophobicContact CG1-CD1 4.34Å; V308-A369 HydrophobicContact CG1-CB 4.4Å; V308-A369 HydrophobicContact CG2-CB 4.02Å; V308-F373 HydrophobicContact CG2-CE1 4.17Å; V308-V398 HydrophobicContact CG2-CG1 4.1Å; V308-V398 HydrophobicContact CG2-CG2 3.78Å; V308-S404 PolarHBondContact N-O 3.42Å; V308-I405 HydrophobicContact CB-CG1 4.34Å; V308-I405 VanDerWaalsContact O-CA 3.28Å; V308-I405 WeakPolarHBondContact O-CA 3.41Å; V308-E406 PolarHBondContact O-N 3.35Å
309	V	98.8	Very high	97.9	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	151.3	-177	-60.8	0	0	0	0	112.3	L297 Q300 I301 T307 V368 E406 V408	L297-V309 HydrophobicContact CB-CG2 3.78Å; L297-V309 HydrophobicContact CD2-CB 4.09Å; L297-V309 HydrophobicContact CD2-CG2 3.74Å; L297-V309 HydrophobicContact CG-CG2 4.31Å; Q300-V309 HydrophobicContact CB-CG1 3.66Å; Q300-V309 HydrophobicContact CG-CG1 4.15Å; I301-V309 HydrophobicContact CD1-CG2 3.91Å; I301-V309 HydrophobicContact CG1-CG2 4.07Å; T307-V309 HydrophobicContact CG2-CG1 3.71Å; V309-V368 HydrophobicContact CG2-CB 3.91Å; V309-V368 PolarHBondContact N-O 3.47Å; V309-V368 PolarHBondContact O-N 2.85Å; V309-E406 CarbonylContact C-O 3.59Å; V309-E406 VanDerWaalsContact CA-O 3.29Å; V309-E406 WeakPolarHBondContact CA-O 3.23Å; V309-E406 HydrophobicContact CG1-CB 4.2Å; V309-V408 HydrophobicContact CB-CG2 3.96Å; V309-V408 HydrophobicContact CG1-CG2 4.08Å
310	S	98.4	Very high	97.8	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	137.2	176.1	-163.1	0	0	0	0	109.8	F313 H331 I366 E406 V407 V408	S310-F313 WeakPolarHBondContact OG-CZ 3.43Å; S310-H331 PolarHBondContact OG-CE1 2.92Å; S310-I366 PolarHBondContact OG-O 2.72Å; S310-E406 PolarHBondContact N-O 3.48Å; S310-V407 CarbonylContact O-C 3.46Å; S310-V407 VanDerWaalsContact O-CA 3.3Å; S310-V407 WeakPolarHBondContact O-CA 3.4Å; S310-V408 PolarHBondContact O-N 2.89Å
311	P	98.2	Very high	97.7	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	172.3	172.6	29.1	-30	0	0	0	111	L297 F313 I366 S411 I413	L297-P311 HydrophobicContact CD1-CB 4.45Å; P311-F313 HydrophobicContact CG-CD1 4.22Å; P311-F313 HydrophobicContact CG-CE1 3.85Å; P311-F313 WeakPolarHBondContact O-CD1 3.39Å; P311-F313 WeakPolarHBondContact O-CE1 3.44Å; P311-I366 HydrophobicContact CG-CG2 3.83Å; P311-S411 WeakPolarHBondContact CB-O 3.15Å; P311-S411 WeakPolarHBondContact CB-OG 3.26Å; P311-I413 HydrophobicContact CB-CD1 4.29Å; P311-I413 HydrophobicContact CB-CG1 4.05Å; P311-I413 HydrophobicContact CG-CB 4.36Å; P311-I413 HydrophobicContact CG-CD1 3.51Å; P311-I413 HydrophobicContact CG-CG1 3.76Å
312	V	97.6	Very high	97.6	Very high	7 Å²	7	32.9 Å²	32.9	4%	0.042	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	130.8	167.1	177.8	0	0	0	0	109.1	P328 V407 S411 K412 I413	V312-P328 HydrophobicContact CG2-CB 3.83Å; V312-P328 HydrophobicContact CG2-CG 4.07Å; V312-V407 HydrophobicContact CG2-CG1 3.67Å; V312-S411 PolarHBondContact N-O 2.92Å; V312-K412 HydrophobicContact CB-CD 3.93Å; V312-K412 HydrophobicContact CG1-CD 4.2Å; V312-K412 WeakPolarHBondContact O-CA 3.3Å; V312-I413 PolarHBondContact O-N 3.23Å; V312-I413 VanDerWaalsContact O-N 3.1Å
313	F	96.5	Very high	97.6	Very high	17 Å²	17	29.8 Å²	29.8	8%	0.075	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	109.2	-177.6	-43.5	-30.5	0	0	0	109.9	S310 P311 Y326 H331 Y341 M364 I366 I413 H415	S310-F313 WeakPolarHBondContact OG-CZ 3.43Å; P311-F313 HydrophobicContact CG-CD1 4.22Å; P311-F313 HydrophobicContact CG-CE1 3.85Å; P311-F313 WeakPolarHBondContact O-CD1 3.39Å; P311-F313 WeakPolarHBondContact O-CE1 3.44Å; F313-Y326 WeakPolarHBondContact O-CB 3.39Å; F313-H331 AromaticContact CZ-CE1 3.89Å; F313-Y341 VanDerWaalsContact CD2-OH 3.27Å; F313-Y341 WeakPolarHBondContact CD2-OH 3.5Å; F313-M364 HydrophobicContact CD2-SD 4.49Å; F313-M364 HydrophobicContact CE2-CB 3.62Å; F313-M364 HydrophobicContact CE2-CG 4.47Å; F313-M364 HydrophobicContact CE2-SD 4.07Å; F313-M364 HydrophobicContact CZ-CB 4.16Å; F313-I366 HydrophobicContact CD1-CD1 4.1Å; F313-I366 HydrophobicContact CE1-CB 3.66Å; F313-I366 HydrophobicContact CE1-CD1 4Å; F313-I366 HydrophobicContact CE1-CG1 4.15Å; F313-I366 HydrophobicContact CE1-CG2 4.41Å; F313-I366 HydrophobicContact CZ-CB 3.86Å; F313-I366 HydrophobicContact CZ-CG1 4.38Å; F313-I413 CarbonylContact C-O 3.57Å; F313-I413 VanDerWaalsContact CA-O 3.27Å; F313-I413 WeakPolarHBondContact CA-O 3.3Å; F313-H415 HydrophobicContact CB-CB 4.44Å
314	D	97.3	Very high	97.5	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.005	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	142.2	166.2	-70.1	-26.2	0	0	0	109.3	T171 H290 V323 I324 Y326 K412 I413 A414 H415	T171-D314 WeakPolarHBondContact CB-OD2 3.32Å; T171-D314 WeakPolarHBondContact CG2-OD2 3.36Å; T171-D314 PolarHBondContact OG1-OD2 3.04Å; H290-D314 IonicContact CE1-OD2 3.95Å; H290-D314 IonicContact NE2-OD2 3.87Å; D314-V323 HydrophobicContact CB-CG1 3.86Å; D314-I324 WeakPolarHBondContact CB-O 3.43Å; D314-Y326 PolarHBondContact OD1-N 2.85Å; D314-K412 IonicContact OD1-NZ 3.87Å; D314-K412 PolarHBondContact OD1-NZ 2.86Å; D314-K412 IonicContact OD2-NZ 2.67Å; D314-I413 PolarHBondContact N-O 3.26Å; D314-A414 CarbonylContact O-C 3.51Å; D314-A414 WeakPolarHBondContact O-CA 3.18Å; D314-H415 PolarHBondContact O-N 2.99Å
315	R	96.7	Very high	97.4	Very high	75 Å²	75	30.8 Å²	30.8	28%	0.283	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	127.4	-176.7	169.5	-174.7	142.3	154.6	-11.8	109.7	N317 V323 I324 Y326 E417	R315-N317 VanDerWaalsContact CZ-OD1 3.25Å; R315-N317 PolarHBondContact NE-OD1 2.98Å; R315-N317 PolarHBondContact NH2-OD1 3.33Å; R315-V323 CarbonylContact O-C 3.6Å; R315-V323 WeakPolarHBondContact O-CA 3.43Å; R315-I324 HydrophobicContact CB-CB 4.4Å; R315-I324 PolarHBondContact N-O 3.29Å; R315-I324 PolarHBondContact O-N 2.97Å; R315-Y326 HydrophobicContact CB-CD2 3.91Å; R315-Y326 HydrophobicContact CB-CE2 3.46Å; R315-Y326 VanDerWaalsContact CB-CE2 3.46Å; R315-Y326 HydrophobicContact CG-CE2 4.37Å; R315-E417 VanDerWaalsContact CD-OE2 3.23Å; R315-E417 WeakPolarHBondContact CD-OE2 3.4Å; R315-E417 HydrophobicContact CG-CB 4.07Å; R315-E417 IonicContact CZ-OE2 3.33Å; R315-E417 IonicContact NE-OE2 3.53Å; R315-E417 PolarHBondContact NE-OE2 2.99Å; R315-E417 IonicContact NH1-OE2 2.87Å; R315-E417 PolarHBondContact NH1-OE2 2.81Å
316	V	97.9	Very high	97.1	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.006	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	119.4	161.4	-177.1	0	0	0	0	107.7	L321 K322 V323 A414 H415 I416 E417	V316-L321 HydrophobicContact CG1-CB 4.18Å; V316-L321 HydrophobicContact CG1-CD2 4.23Å; V316-L321 WeakPolarHBondContact CG1-O 3.31Å; V316-K322 WeakPolarHBondContact CA-O 3.38Å; V316-V323 HydrophobicContact CG2-CG2 4.23Å; V316-A414 HydrophobicContact CG2-CB 3.6Å; V316-H415 PolarHBondContact N-O 3.37Å; V316-I416 HydrophobicContact CB-CB 4.43Å; V316-I416 HydrophobicContact CB-CG1 3.74Å; V316-I416 HydrophobicContact CG1-CG1 3.77Å; V316-I416 HydrophobicContact CG2-CG1 4.44Å; V316-E417 PolarHBondContact O-N 3.21Å
317	N	97.1	Very high	96.9	Very high	16 Å²	16	33.8 Å²	33.8	9%	0.086	16%	0.159	C	C	.	.	P	Polyproline II helix	trans	-58.8	139.2	178.6	-73.8	-20.2	0	0	0	111.4	R315 D319 D320 L321 K322	R315-N317 VanDerWaalsContact CZ-OD1 3.25Å; R315-N317 PolarHBondContact NE-OD1 2.98Å; R315-N317 PolarHBondContact NH2-OD1 3.33Å; N317-D319 VanDerWaalsContact C-N 3.26Å; N317-D319 WeakPolarHBondContact CB-OD1 3.34Å; N317-D319 PolarHBondContact O-N 3.5Å; N317-D320 WeakPolarHBondContact CB-OD1 3.49Å; N317-D320 PolarHBondContact ND2-OD1 2.94Å; N317-L321 VanDerWaalsContact O-CA 3.28Å; N317-L321 WeakPolarHBondContact O-CA 3.42Å; N317-L321 PolarHBondContact O-N 3.27Å; N317-K322 PolarHBondContact N-O 3.29Å
318	F	96.9	Very high	96.7	Very high	31 Å²	31	34.6 Å²	34.6	14%	0.136	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-24.2	179.5	67.1	-96.5	0	0	0	113.7	P128 F149 Y154 N155 E417 F419	P128-F318 HydrophobicContact CB-CE2 4.19Å; P128-F318 HydrophobicContact CB-CZ 4.15Å; F149-F318 AromaticContact CE2-CD2 3.62Å; F149-F318 HydrophobicContact CE2-CD2 3.62Å; F149-F318 HydrophobicContact CE2-CE2 4Å; F149-F318 HydrophobicContact CZ-CD2 4.21Å; F149-F318 HydrophobicContact CZ-CE2 4.14Å; Y154-F318 CarbonylContact C-O 3.54Å; Y154-F318 VanDerWaalsContact CA-O 3.27Å; Y154-F318 WeakPolarHBondContact CA-O 3.15Å; Y154-F318 WeakPolarHBondContact CB-O 3.08Å; N155-F318 WeakPolarHBondContact CB-O 3.11Å; N155-F318 PolarHBondContact N-O 2.79Å; F318-E417 WeakPolarHBondContact CB-O 3.35Å; F318-F419 HydrophobicContact CB-CB 4.48Å; F318-F419 HydrophobicContact CD1-CB 4.15Å; F318-F419 HydrophobicContact CD1-CD2 4.31Å; F318-F419 HydrophobicContact CD2-CB 4.05Å; F318-F419 HydrophobicContact CE1-CB 4.44Å; F318-F419 AromaticContact CE1-CD2 3.78Å; F318-F419 HydrophobicContact CE1-CD2 3.78Å; F318-F419 HydrophobicContact CE2-CB 4.34Å; F318-F419 HydrophobicContact CE2-CD2 4.11Å; F318-F419 HydrophobicContact CE2-CG 4.47Å; F318-F419 HydrophobicContact CG-CB 3.97Å; F318-F419 AromaticContact CZ-CD2 3.67Å; F318-F419 HydrophobicContact CZ-CD2 3.67Å; F318-F419 HydrophobicContact CZ-CE2 4.37Å; F318-F419 HydrophobicContact CZ-CG 4.44Å
319	D	95.7	Very high	96.6	Very high	12 Å²	12	35.3 Å²	35.3	6%	0.064	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-54.2	-171.6	56.4	-17.2	0	0	0	112.5	L129 N155 N317	L129-D319 HydrophobicContact CD1-CB 4.35Å; N155-D319 WeakPolarHBondContact CB-O 3.35Å; N155-D319 PolarHBondContact ND2-O 3.22Å; N317-D319 VanDerWaalsContact C-N 3.26Å; N317-D319 WeakPolarHBondContact CB-OD1 3.34Å; N317-D319 PolarHBondContact O-N 3.5Å
320	D	95.8	Very high	96.5	Very high	26 Å²	26	35.5 Å²	35.5	14%	0.139	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.7	-1.6	-176.2	75.3	-0.7	0	0	0	114.3	L158 N317 K322	L158-D320 WeakPolarHBondContact CD2-O 3.39Å; N317-D320 WeakPolarHBondContact CB-OD1 3.49Å; N317-D320 PolarHBondContact ND2-OD1 2.94Å; D320-K322 HydrophobicContact CB-CG 4.49Å; D320-K322 PolarHBondContact O-N 3.03Å; D320-K322 VanDerWaalsContact O-N 3.1Å; D320-K322 WeakPolarHBondContact OD1-CB 3.34Å; D320-K322 WeakPolarHBondContact OD1-CG 3.49Å; D320-K322 PolarHBondContact OD1-N 3.4Å; D320-K322 WeakPolarHBondContact OD2-CD 3.27Å; D320-K322 VanDerWaalsContact OD2-CE 3.22Å; D320-K322 WeakPolarHBondContact OD2-CE 3.21Å; D320-K322 WeakPolarHBondContact OD2-CG 3.37Å; D320-K322 IonicContact OD2-NZ 2.63Å; D320-K322 PolarHBondContact OD2-NZ 3.42Å
321	L	96.9	Very high	96.5	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.01	17%	0.171	C	C	.	.			trans	55.8	21	-179.1	-55.2	176.6	0	0	0	114.1	L158 L162 R166 V316 N317 I416	L158-L321 HydrophobicContact CB-CD1 4.21Å; L158-L321 HydrophobicContact CD2-CB 4.38Å; L158-L321 HydrophobicContact CD2-CD1 4.18Å; L158-L321 HydrophobicContact CD2-CG 4.18Å; L158-L321 HydrophobicContact CG-CD1 4.08Å; L162-L321 HydrophobicContact CD1-CB 4.25Å; L162-L321 HydrophobicContact CD1-CD1 3.71Å; R166-L321 PolarHBondContact NH1-O 2.04Å; R166-L321 PolarHBondContact NH2-O 3.33Å; V316-L321 HydrophobicContact CG1-CB 4.18Å; V316-L321 HydrophobicContact CG1-CD2 4.23Å; V316-L321 WeakPolarHBondContact CG1-O 3.31Å; N317-L321 VanDerWaalsContact O-CA 3.28Å; N317-L321 WeakPolarHBondContact O-CA 3.42Å; N317-L321 PolarHBondContact O-N 3.27Å; L321-I416 HydrophobicContact CD2-CD1 4.35Å
322	K	96.5	Very high	96.4	Very high	127 Å²	127	35.6 Å²	35.6	55%	0.552	17%	0.172	S	C	*	.			trans	-74	143.4	172.7	-68.3	-175.4	-166.5	126.5	0	110.8	V316 N317 D320	V316-K322 WeakPolarHBondContact CA-O 3.38Å; N317-K322 PolarHBondContact N-O 3.29Å; D320-K322 HydrophobicContact CB-CG 4.49Å; D320-K322 PolarHBondContact O-N 3.03Å; D320-K322 VanDerWaalsContact O-N 3.1Å; D320-K322 WeakPolarHBondContact OD1-CB 3.34Å; D320-K322 WeakPolarHBondContact OD1-CG 3.49Å; D320-K322 PolarHBondContact OD1-N 3.4Å; D320-K322 WeakPolarHBondContact OD2-CD 3.27Å; D320-K322 VanDerWaalsContact OD2-CE 3.22Å; D320-K322 WeakPolarHBondContact OD2-CE 3.21Å; D320-K322 WeakPolarHBondContact OD2-CG 3.37Å; D320-K322 IonicContact OD2-NZ 2.63Å; D320-K322 PolarHBondContact OD2-NZ 3.42Å
323	V	97.7	Very high	96.4	Very high	23 Å²	23	35.2 Å²	35.2	14%	0.139	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	126.4	173.9	-174.8	0	0	0	0	109.3	L168 P169 D314 R315 V316 A414	L168-V323 HydrophobicContact CD2-CG2 3.91Å; P169-V323 HydrophobicContact CG-CB 3.93Å; P169-V323 HydrophobicContact CG-CG1 4.24Å; D314-V323 HydrophobicContact CB-CG1 3.86Å; R315-V323 CarbonylContact O-C 3.6Å; R315-V323 WeakPolarHBondContact O-CA 3.43Å; V316-V323 HydrophobicContact CG2-CG2 4.23Å; V323-A414 HydrophobicContact CG1-CB 4.12Å; V323-A414 HydrophobicContact CG2-CB 4.12Å
324	I	96.6	Very high	96.4	Very high	74 Å²	74	36.3 Å²	36.3	38%	0.379	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	123.3	177	-53.2	-59.3	0	0	0	108.2	D314 R315 Y326	D314-I324 WeakPolarHBondContact CB-O 3.43Å; R315-I324 HydrophobicContact CB-CB 4.4Å; R315-I324 PolarHBondContact N-O 3.29Å; R315-I324 PolarHBondContact O-N 2.97Å; I324-Y326 PolarHBondContact O-N 2.97Å
325	Q	95.7	Very high	96.4	Very high	96 Å²	96	36.3 Å²	36.3	45%	0.449	18%	0.176	S	C	.	.			trans	-59.8	131.6	178.8	179	-177.3	6.3	0	0	111.1	T171	T171-Q325 HydrophobicContact CG2-CB 3.97Å; T171-Q325 HydrophobicContact CG2-CG 4.43Å; T171-Q325 PolarHBondContact O-NE2 2.86Å
326	Y	93.7	Very high	96.3	Very high	72 Å²	72	33.2 Å²	33.2	28%	0.282	17%	0.167	S	C	.	.			trans	-105.9	143.5	166.6	-93.5	-141.4	0	0	0	110.8	F313 D314 R315 I324 Y341 K412	F313-Y326 WeakPolarHBondContact O-CB 3.39Å; D314-Y326 PolarHBondContact OD1-N 2.85Å; R315-Y326 HydrophobicContact CB-CD2 3.91Å; R315-Y326 HydrophobicContact CB-CE2 3.46Å; R315-Y326 VanDerWaalsContact CB-CE2 3.46Å; R315-Y326 HydrophobicContact CG-CE2 4.37Å; I324-Y326 PolarHBondContact O-N 2.97Å; Y326-Y341 HydrophobicContact CD1-CE2 4.38Å; Y326-Y341 HydrophobicContact CE1-CE2 4.14Å; Y326-K412 PolarHBondContact O-NZ 3.31Å
327	L	93.4	Very high	96.3	Very high	126 Å²	126	33.3 Å²	33.3	66%	0.66	17%	0.167	S	C	*	.			trans	-77.6	142.9	174.2	-64.9	178.7	0	0	0	110.3	A329	L327-A329 PolarHBondContact O-N 2.92Å
328	P	94.4	Very high	96.1	Very high	20 Å²	20	37.5 Å²	37.5	13%	0.13	18%	0.182	C	C	.	.			trans	-58.5	132	174	-21.3	31.3	0	0	0	112	E173 V312 F344 P409	E173-P328 HydrophobicContact CG-CG 4.4Å; V312-P328 HydrophobicContact CG2-CB 3.83Å; V312-P328 HydrophobicContact CG2-CG 4.07Å; P328-F344 HydrophobicContact CB-CE2 3.94Å; P328-F344 HydrophobicContact CB-CZ 4.38Å; P328-P409 HydrophobicContact CB-CB 4.07Å; P328-P409 HydrophobicContact CB-CG 3.93Å; P328-P409 HydrophobicContact CG-CB 3.72Å; P328-P409 HydrophobicContact CG-CG 4.12Å
329	A	96.3	Very high	96	Very high	16 Å²	16	38.3 Å²	38.3	13%	0.132	19%	0.191	C	C	.	.			trans	-145.8	158.2	178.7	0	0	0	0	0	110.3	L327 Y341 E342 F344	L327-A329 PolarHBondContact O-N 2.92Å; A329-Y341 HydrophobicContact CB-CD1 3.97Å; A329-Y341 HydrophobicContact CB-CG 4.45Å; A329-E342 WeakPolarHBondContact CB-O 3.4Å; A329-F344 WeakPolarHBondContact O-CZ 3.25Å
330	A	97.4	Very high	95.9	Very high	3 Å²	3	40.6 Å²	40.6	3%	0.025	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	148.2	169.7	0	0	0	0	0	110.1	E342 F344	A330-E342 WeakPolarHBondContact CA-O 3.44Å; A330-E342 WeakPolarHBondContact CB-O 3.23Å; A330-E342 PolarHBondContact N-O 2.95Å; A330-E342 PolarHBondContact O-N 3.15Å; A330-F344 HydrophobicContact CB-CD1 3.72Å; A330-F344 HydrophobicContact CB-CE1 3.98Å
331	H	97.8	Very high	95.9	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.005	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	118.2	171.3	-57.5	153.4	0	0	0	109.5	S310 F313 Y341 S360 P361 S362 M364	S310-H331 PolarHBondContact OG-CE1 2.92Å; F313-H331 AromaticContact CZ-CE1 3.89Å; H331-Y341 AromaticContact CD2-CD1 3.94Å; H331-Y341 AromaticContact CD2-CE1 3.72Å; H331-Y341 AromaticContact NE2-CE1 3.77Å; H331-S360 WeakPolarHBondContact CA-OG 3.41Å; H331-S360 WeakPolarHBondContact CB-OG 3.4Å; H331-S360 PolarHBondContact N-OG 3.45Å; H331-S360 PolarHBondContact O-OG 3.35Å; H331-P361 WeakPolarHBondContact O-CD 3.38Å; H331-S362 WeakPolarHBondContact CB-O 3.5Å; H331-S362 PolarHBondContact O-N 3.47Å; H331-M364 HydrophobicContact CB-CG 3.94Å; H331-M364 PolarHBondContact ND1-N 2.63Å
332	A	97	Very high	95.9	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.008	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	175.7	-173.8	0	0	0	0	0	110.4	C339 M340 E342 Y491	A332-C339 CarbonylContact O-C 3.49Å; A332-C339 WeakPolarHBondContact O-CA 3.1Å; A332-M340 HydrophobicContact CB-CG 3.9Å; A332-M340 PolarHBondContact N-O 3.26Å; A332-M340 PolarHBondContact O-N 2.75Å; A332-E342 HydrophobicContact CB-CB 3.69Å; A332-Y491 HydrophobicContact CB-CE2 4.27Å; A332-Y491 WeakPolarHBondContact CB-OH 3.41Å
333	F	97.5	Very high	95.8	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	161.6	174.9	59.4	-88.3	0	0	0	112.7	L337 W338 V392 I396 Y486 Y491 L494 H554	F333-L337 HydrophobicContact CD2-CD2 3.96Å; F333-L337 HydrophobicContact CE2-CD2 4.18Å; F333-W338 CarbonylContact C-O 3.47Å; F333-W338 WeakPolarHBondContact CA-O 3.23Å; F333-W338 WeakPolarHBondContact CB-O 3.41Å; F333-V392 HydrophobicContact CB-CG2 3.66Å; F333-V392 HydrophobicContact CD1-CB 4.38Å; F333-V392 HydrophobicContact CD1-CG1 3.74Å; F333-V392 HydrophobicContact CD1-CG2 3.93Å; F333-V392 HydrophobicContact CD2-CG1 3.74Å; F333-V392 HydrophobicContact CD2-CG2 4.35Å; F333-V392 HydrophobicContact CE1-CG1 3.71Å; F333-V392 HydrophobicContact CE2-CG1 3.72Å; F333-V392 HydrophobicContact CG-CB 4.4Å; F333-V392 HydrophobicContact CG-CG1 3.76Å; F333-V392 HydrophobicContact CG-CG2 3.73Å; F333-V392 HydrophobicContact CZ-CG1 3.7Å; F333-I396 HydrophobicContact CZ-CD1 4.21Å; F333-I396 HydrophobicContact CZ-CG1 4.24Å; F333-Y486 HydrophobicContact CE1-CE1 4.42Å; F333-Y486 WeakPolarHBondContact CE1-OH 3.04Å; F333-Y486 HydrophobicContact CZ-CE1 4.06Å; F333-Y491 HydrophobicContact CD1-CD1 4.37Å; F333-Y491 AromaticContact CD1-CE1 3.92Å; F333-Y491 HydrophobicContact CD1-CE1 3.92Å; F333-Y491 HydrophobicContact CD2-CE1 4.29Å; F333-Y491 AromaticContact CE1-CD1 3.82Å; F333-Y491 HydrophobicContact CE1-CD1 3.82Å; F333-Y491 AromaticContact CE1-CE1 3.83Å; F333-Y491 HydrophobicContact CE1-CE1 3.83Å; F333-Y491 HydrophobicContact CE2-CD1 4.42Å; F333-Y491 HydrophobicContact CE2-CE1 4.21Å; F333-Y491 HydrophobicContact CG-CE1 4.16Å; F333-Y491 AromaticContact CZ-CD1 3.85Å; F333-Y491 HydrophobicContact CZ-CD1 3.85Å; F333-Y491 AromaticContact CZ-CE1 3.99Å; F333-Y491 HydrophobicContact CZ-CE1 3.99Å; F333-Y491 PolarHBondContact N-OH 3.08Å; F333-Y491 WeakPolarHBondContact O-CE1 3.12Å; F333-Y491 PolarHBondContact O-OH 3.1Å; F333-L494 HydrophobicContact CE2-CD2 3.83Å; F333-L494 HydrophobicContact CZ-CD2 4.33Å; F333-H554 PolarHBondContact O-NE2 2.94Å
334	D	96.9	Very high	95.7	Very high	40 Å²	40	39.3 Å²	39.3	21%	0.214	20%	0.202	C	C	.	.			trans	-98.4	175.5	171.7	75.4	5.9	0	0	0	112.3	A336 L337 W338	D334-A336 PolarHBondContact O-N 3.44Å; D334-A336 WeakPolarHBondContact OD1-CA 3.38Å; D334-A336 WeakPolarHBondContact OD1-CB 3.18Å; D334-A336 PolarHBondContact OD1-N 2.95Å; D334-L337 WeakPolarHBondContact O-CA 3.28Å; D334-L337 PolarHBondContact O-N 2.76Å; D334-L337 PolarHBondContact OD1-N 2.93Å; D334-W338 PolarHBondContact N-O 2.72Å; D334-W338 VanDerWaalsContact N-O 3.07Å; D334-W338 PolarHBondContact OD1-N 3.42Å
335	W	96.9	Very high	95.6	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-10.4	178.3	-72.7	114.9	0	0	0	114.9	M443 N449 I450 A453 F483 L487 L494 D495 P496 W497 S553	W335-M443 HydrophobicContact CZ3-CE 4.49Å; W335-M443 HydrophobicContact CZ3-SD 4.23Å; W335-N449 HydrophobicContact CB-CB 4.41Å; W335-N449 HydrophobicContact CD2-CB 3.42Å; W335-N449 VanDerWaalsContact CD2-CB 3.42Å; W335-N449 HydrophobicContact CE3-CB 3.32Å; W335-N449 HydrophobicContact CG-CB 3.93Å; W335-N449 HydrophobicContact CH2-CB 4.07Å; W335-N449 WeakPolarHBondContact CH2-ND2 3.44Å; W335-N449 HydrophobicContact CZ2-CB 4.19Å; W335-N449 WeakPolarHBondContact CZ2-ND2 3.45Å; W335-N449 HydrophobicContact CZ3-CB 3.65Å; W335-I450 HydrophobicContact CE3-CD1 4.32Å; W335-I450 WeakPolarHBondContact O-CD1 3.5Å; W335-A453 HydrophobicContact CB-CB 3.99Å; W335-A453 WeakPolarHBondContact O-CB 3.39Å; W335-F483 AromaticContact CH2-CE1 3.82Å; W335-F483 HydrophobicContact CH2-CE1 3.82Å; W335-F483 HydrophobicContact CH2-CZ 4.49Å; W335-F483 AromaticContact CZ3-CE1 3.99Å; W335-F483 HydrophobicContact CZ3-CE1 3.99Å; W335-F483 HydrophobicContact CZ3-CZ 4.43Å; W335-L487 HydrophobicContact CH2-CD1 4.49Å; W335-L487 HydrophobicContact CH2-CD2 4.44Å; W335-L494 HydrophobicContact CD2-CD1 4.35Å; W335-L494 HydrophobicContact CD2-CD2 4.22Å; W335-L494 HydrophobicContact CD2-CG 4.34Å; W335-L494 HydrophobicContact CE3-CD2 4.39Å; W335-L494 HydrophobicContact CG-CD1 4.36Å; W335-L494 HydrophobicContact CH2-CD2 4.05Å; W335-L494 HydrophobicContact CZ2-CD2 3.81Å; W335-L494 HydrophobicContact CZ2-CG 3.84Å; W335-L494 HydrophobicContact CZ3-CD2 4.33Å; W335-D495 PolarHBondContact NE1-O 2.8Å; W335-P496 HydrophobicContact CZ2-CB 4.39Å; W335-P496 HydrophobicContact CZ2-CG 4.31Å; W335-W497 HydrophobicContact CB-CH2 3.58Å; W335-W497 HydrophobicContact CB-CZ2 4.16Å; W335-W497 HydrophobicContact CB-CZ3 3.85Å; W335-W497 AromaticContact CD1-CE2 3.62Å; W335-W497 AromaticContact CD1-CH2 3.79Å; W335-W497 AromaticContact CD1-CZ2 3.5Å; W335-W497 HydrophobicContact CG-CH2 4.02Å; W335-W497 HydrophobicContact CG-CZ2 4.19Å; W335-W497 HydrophobicContact CG-CZ3 4.21Å; W335-S553 PolarHBondContact N-OG 2.9Å; W335-S553 VanDerWaalsContact N-OG 3.16Å
336	A	95.2	Very high	95.4	Very high	11 Å²	11	38.3 Å²	38.3	9%	0.091	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	2.4	167	0	0	0	0	0	111.9	D334 W338 A453 W454	D334-A336 PolarHBondContact O-N 3.44Å; D334-A336 WeakPolarHBondContact OD1-CA 3.38Å; D334-A336 WeakPolarHBondContact OD1-CB 3.18Å; D334-A336 PolarHBondContact OD1-N 2.95Å; A336-W338 VanDerWaalsContact C-N 3.26Å; A336-W338 VanDerWaalsContact CB-CD1 3.42Å; A336-W338 PolarHBondContact O-N 3.39Å; A336-A453 HydrophobicContact CB-CB 4.02Å; A336-W454 HydrophobicContact CB-CZ2 4.1Å; A336-W454 VanDerWaalsContact O-CZ2 3.29Å; A336-W454 WeakPolarHBondContact O-CZ2 3.39Å; A336-W454 PolarHBondContact O-NE1 3.32Å
337	L	96.5	Very high	95.3	Very high	3 Å²	3	39.3 Å²	39.3	2%	0.016	22%	0.224	C	C	.	.			trans	63.3	26.3	-175.7	-48.9	-168.4	0	0	0	114.1	F333 D334 V392 A435 V438 M443 I450	F333-L337 HydrophobicContact CD2-CD2 3.96Å; F333-L337 HydrophobicContact CE2-CD2 4.18Å; D334-L337 WeakPolarHBondContact O-CA 3.28Å; D334-L337 PolarHBondContact O-N 2.76Å; D334-L337 PolarHBondContact OD1-N 2.93Å; L337-V392 HydrophobicContact CB-CG2 4.32Å; L337-V392 HydrophobicContact CD1-CG1 4.46Å; L337-V392 HydrophobicContact CD2-CG1 3.92Å; L337-A435 HydrophobicContact CD1-CB 3.63Å; L337-A435 HydrophobicContact CG-CB 3.95Å; L337-V438 HydrophobicContact CD1-CB 3.87Å; L337-V438 HydrophobicContact CD1-CG1 4.11Å; L337-V438 HydrophobicContact CD1-CG2 4Å; L337-M443 HydrophobicContact CD2-CE 3.65Å; L337-I450 HydrophobicContact CD1-CD1 4.43Å; L337-I450 HydrophobicContact CD2-CD1 3.69Å; L337-I450 HydrophobicContact CG-CD1 3.92Å
338	W	94.1	Very high	95.3	Very high	104 Å²	104	34.9 Å²	34.9	39%	0.394	20%	0.198	S	C	.	.			trans	-75.1	126	166.8	-63.6	106.7	0	0	0	109.4	F333 D334 A336 M431 W454	F333-W338 CarbonylContact C-O 3.47Å; F333-W338 WeakPolarHBondContact CA-O 3.23Å; F333-W338 WeakPolarHBondContact CB-O 3.41Å; D334-W338 PolarHBondContact N-O 2.72Å; D334-W338 VanDerWaalsContact N-O 3.07Å; D334-W338 PolarHBondContact OD1-N 3.42Å; A336-W338 VanDerWaalsContact C-N 3.26Å; A336-W338 VanDerWaalsContact CB-CD1 3.42Å; A336-W338 PolarHBondContact O-N 3.39Å; W338-M431 HydrophobicContact CD2-CE 3.47Å; W338-M431 VanDerWaalsContact CD2-CE 3.47Å; W338-M431 HydrophobicContact CD2-SD 4.29Å; W338-M431 HydrophobicContact CE3-CE 3.38Å; W338-M431 HydrophobicContact CE3-SD 3.77Å; W338-M431 HydrophobicContact CG-CE 4.31Å; W338-M431 HydrophobicContact CH2-CE 3.56Å; W338-M431 HydrophobicContact CH2-SD 3.03Å; W338-M431 WeakPolarHBondContact CH2-SD 3.47Å; W338-M431 HydrophobicContact CZ2-CE 3.6Å; W338-M431 HydrophobicContact CZ2-SD 3.6Å; W338-M431 VanDerWaalsContact CZ2-SD 3.6Å; W338-M431 HydrophobicContact CZ3-CE 3.44Å; W338-M431 VanDerWaalsContact CZ3-CE 3.44Å; W338-M431 HydrophobicContact CZ3-SD 3.12Å; W338-M431 WeakPolarHBondContact CZ3-SD 3.06Å; W338-W454 AromaticContact CZ2-CH2 3.89Å; W338-W454 HydrophobicContact CZ2-CH2 3.89Å; W338-W454 AromaticContact NE1-CH2 3.96Å
339	C	93.7	Very high	95.2	Very high	48 Å²	48	40 Å²	40	32%	0.324	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	146.1	174.6	49.1	0	0	0	0	111.7	A332 M364	A332-C339 CarbonylContact O-C 3.49Å; A332-C339 WeakPolarHBondContact O-CA 3.1Å; C339-M364 HydrophobicContact CB-CE 4.09Å; C339-M364 HydrophobicContact CB-CG 4.23Å
340	M	94.9	Very high	95.1	Very high	60 Å²	60	46.6 Å²	46.6	30%	0.296	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	161.8	179.1	60.1	-175.7	-71	0	0	110.6	A332 M364 H554	A332-M340 HydrophobicContact CB-CG 3.9Å; A332-M340 PolarHBondContact N-O 3.26Å; A332-M340 PolarHBondContact O-N 2.75Å; M340-M364 VanDerWaalsContact C-CE 3.48Å; M340-H554 PolarHBondContact SD-CE1 3.36Å
341	Y	95.7	Very high	94.6	Very high	89 Å²	89	51.7 Å²	51.7	35%	0.349	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	141.5	169.4	-66.8	-75.9	0	0	0	110.4	F313 Y326 A329 H331 M364	F313-Y341 VanDerWaalsContact CD2-OH 3.27Å; F313-Y341 WeakPolarHBondContact CD2-OH 3.5Å; Y326-Y341 HydrophobicContact CD1-CE2 4.38Å; Y326-Y341 HydrophobicContact CE1-CE2 4.14Å; A329-Y341 HydrophobicContact CB-CD1 3.97Å; A329-Y341 HydrophobicContact CB-CG 4.45Å; H331-Y341 AromaticContact CD2-CD1 3.94Å; H331-Y341 AromaticContact CD2-CE1 3.72Å; H331-Y341 AromaticContact NE2-CE1 3.77Å; Y341-M364 HydrophobicContact CD1-CE 4.13Å; Y341-M364 HydrophobicContact CD1-SD 4.22Å; Y341-M364 HydrophobicContact CD2-CE 3.94Å; Y341-M364 HydrophobicContact CE1-CE 4.01Å; Y341-M364 HydrophobicContact CE1-SD 3.57Å; Y341-M364 VanDerWaalsContact CE1-SD 3.57Å; Y341-M364 HydrophobicContact CE2-CE 3.82Å; Y341-M364 HydrophobicContact CE2-SD 4.02Å; Y341-M364 HydrophobicContact CG-CE 4.12Å
342	E	95.3	Very high	94.2	Very high	18 Å²	18	59.1 Å²	59.1	8%	0.084	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	147.1	173.8	-161.5	-170	-133	0	0	110	A329 A330 A332 K493 H554 Y556	A329-E342 WeakPolarHBondContact CB-O 3.4Å; A330-E342 WeakPolarHBondContact CA-O 3.44Å; A330-E342 WeakPolarHBondContact CB-O 3.23Å; A330-E342 PolarHBondContact N-O 2.95Å; A330-E342 PolarHBondContact O-N 3.15Å; A332-E342 HydrophobicContact CB-CB 3.69Å; E342-K493 WeakPolarHBondContact OE1-CD 3.03Å; E342-K493 IonicContact OE1-NZ 3.19Å; E342-K493 WeakPolarHBondContact OE2-CD 3.46Å; E342-K493 IonicContact OE2-NZ 3.06Å; E342-K493 PolarHBondContact OE2-NZ 2.85Å; E342-H554 IonicContact OE1-CD2 2.68Å; E342-Y556 WeakPolarHBondContact OE1-CE1 3.47Å; E342-Y556 PolarHBondContact OE1-OH 2.73Å
343	G	95.3	Very high	93.9	Very high	36 Å²	36	61.1 Å²	61.1	37%	0.371	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-57.5	144.1	172.8	0	0	0	0	0	111.4	K493	G343-K493 PolarHBondContact O-NZ 2.71Å
344	F	96.1	Very high	93.5	Very high	7 Å²	7	63.3 Å²	63.3	3%	0.031	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-57.6	167.3	178	-67.6	-67.7	0	0	0	112.2	P328 A329 A330 Y348 Y349 V407	P328-F344 HydrophobicContact CB-CE2 3.94Å; P328-F344 HydrophobicContact CB-CZ 4.38Å; A329-F344 WeakPolarHBondContact O-CZ 3.25Å; A330-F344 HydrophobicContact CB-CD1 3.72Å; A330-F344 HydrophobicContact CB-CE1 3.98Å; F344-Y348 HydrophobicContact CB-CD1 3.74Å; F344-Y348 HydrophobicContact CB-CD2 4.43Å; F344-Y348 HydrophobicContact CB-CG 3.7Å; F344-Y348 AromaticContact CD2-CD1 3.57Å; F344-Y348 HydrophobicContact CD2-CD1 3.57Å; F344-Y348 HydrophobicContact CD2-CD2 4.26Å; F344-Y348 AromaticContact CD2-CE1 3.45Å; F344-Y348 HydrophobicContact CD2-CE1 3.45Å; F344-Y348 VanDerWaalsContact CD2-CE1 3.45Å; F344-Y348 HydrophobicContact CD2-CE2 4.15Å; F344-Y348 AromaticContact CD2-CG 3.98Å; F344-Y348 HydrophobicContact CD2-CG 3.98Å; F344-Y348 AromaticContact CD2-CZ 3.76Å; F344-Y348 HydrophobicContact CE2-CD1 4.47Å; F344-Y348 AromaticContact CE2-CE1 3.97Å; F344-Y348 HydrophobicContact CE2-CE1 3.97Å; F344-Y348 HydrophobicContact CE2-CE2 4.27Å; F344-Y348 AromaticContact CE2-CZ 3.85Å; F344-Y348 AromaticContact CG-CD1 3.92Å; F344-Y348 HydrophobicContact CG-CD1 3.92Å; F344-Y348 HydrophobicContact CG-CD2 4.25Å; F344-Y348 HydrophobicContact CG-CE1 4.24Å; F344-Y348 AromaticContact CG-CG 3.93Å; F344-Y348 HydrophobicContact CG-CG 3.93Å; F344-Y349 HydrophobicContact CB-CE2 3.99Å; F344-Y349 PolarHBondContact N-OH 3.45Å; F344-Y349 WeakPolarHBondContact O-CE2 3.44Å; F344-V407 HydrophobicContact CE1-CB 4.1Å; F344-V407 HydrophobicContact CZ-CB 4.02Å; F344-V407 HydrophobicContact CZ-CG1 4.25Å
345	A	93.2	Very high	93.3	Very high	55 Å²	55	61.7 Å²	61.7	46%	0.455	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-58.7	147	172	0	0	0	0	0	110.9	D347 Y348	A345-D347 PolarHBondContact O-N 3.45Å; A345-Y348 VanDerWaalsContact O-CB 3.26Å; A345-Y348 WeakPolarHBondContact O-CB 3.1Å; A345-Y348 PolarHBondContact O-N 2.7Å
346	P	92.1	Very high	93.2	Very high	94 Å²	94	67.1 Å²	67.1	61%	0.61	34%	0.343	S	S	*	.	H	α-helix	trans	-51.6	-31.2	-177.9	-30	36.2	0	0	0	115.1	Y348 Y349	P346-Y348 VanDerWaalsContact C-N 3.28Å; P346-Y348 PolarHBondContact O-N 2.86Å; P346-Y349 PolarHBondContact O-N 3.13Å
347	D	91.1	Very high	93.3	Very high	94 Å²	94	68.3 Å²	68.3	50%	0.503	35%	0.349	S	S	.	.	H	α-helix	trans	-63.3	-31.7	178.9	-68.7	-26.3	0	0	0	113.5	A345 Y349 K350 H351	A345-D347 PolarHBondContact O-N 3.45Å; D347-Y349 VanDerWaalsContact C-N 3.29Å; D347-Y349 PolarHBondContact O-N 2.94Å; D347-K350 WeakPolarHBondContact O-CB 3.26Å; D347-K350 PolarHBondContact O-N 3.32Å; D347-K350 VanDerWaalsContact OD1-CE 3.32Å; D347-K350 WeakPolarHBondContact OD1-CE 3.5Å; D347-K350 IonicContact OD1-NZ 2.68Å; D347-K350 PolarHBondContact OD1-NZ 3.12Å; D347-H351 PolarHBondContact O-CD2 2.87Å
348	Y	93.9	Very high	93.3	Very high	33 Å²	33	68.2 Å²	68.2	13%	0.129	35%	0.349	C	S	.	.	H	α-helix	trans	-56.1	-45.8	174.6	174.4	-96.2	0	0	0	111.3	F344 A345 P346 K350 H351 R356	F344-Y348 HydrophobicContact CB-CD1 3.74Å; F344-Y348 HydrophobicContact CB-CD2 4.43Å; F344-Y348 HydrophobicContact CB-CG 3.7Å; F344-Y348 AromaticContact CD2-CD1 3.57Å; F344-Y348 HydrophobicContact CD2-CD1 3.57Å; F344-Y348 HydrophobicContact CD2-CD2 4.26Å; F344-Y348 AromaticContact CD2-CE1 3.45Å; F344-Y348 HydrophobicContact CD2-CE1 3.45Å; F344-Y348 VanDerWaalsContact CD2-CE1 3.45Å; F344-Y348 HydrophobicContact CD2-CE2 4.15Å; F344-Y348 AromaticContact CD2-CG 3.98Å; F344-Y348 HydrophobicContact CD2-CG 3.98Å; F344-Y348 AromaticContact CD2-CZ 3.76Å; F344-Y348 HydrophobicContact CE2-CD1 4.47Å; F344-Y348 AromaticContact CE2-CE1 3.97Å; F344-Y348 HydrophobicContact CE2-CE1 3.97Å; F344-Y348 HydrophobicContact CE2-CE2 4.27Å; F344-Y348 AromaticContact CE2-CZ 3.85Å; F344-Y348 AromaticContact CG-CD1 3.92Å; F344-Y348 HydrophobicContact CG-CD1 3.92Å; F344-Y348 HydrophobicContact CG-CD2 4.25Å; F344-Y348 HydrophobicContact CG-CE1 4.24Å; F344-Y348 AromaticContact CG-CG 3.93Å; F344-Y348 HydrophobicContact CG-CG 3.93Å; A345-Y348 VanDerWaalsContact O-CB 3.26Å; A345-Y348 WeakPolarHBondContact O-CB 3.1Å; A345-Y348 PolarHBondContact O-N 2.7Å; P346-Y348 VanDerWaalsContact C-N 3.28Å; P346-Y348 PolarHBondContact O-N 2.86Å; Y348-K350 VanDerWaalsContact C-N 3.3Å; Y348-K350 PolarHBondContact O-N 2.77Å; Y348-H351 PolarHBondContact O-N 3.48Å; Y348-R356 WeakPolarHBondContact CE2-O 3.43Å; Y348-R356 PolarHBondContact OH-O 3.43Å
349	Y	93.1	Very high	93.5	Very high	126 Å²	126	68 Å²	68	49%	0.494	35%	0.351	S	S	.	.	H	α-helix	trans	-74.4	-17.6	-176	-59.3	-74.5	0	0	0	113.5	F344 P346 D347 H351 N352	F344-Y349 HydrophobicContact CB-CE2 3.99Å; F344-Y349 PolarHBondContact N-OH 3.45Å; F344-Y349 WeakPolarHBondContact O-CE2 3.44Å; P346-Y349 PolarHBondContact O-N 3.13Å; D347-Y349 VanDerWaalsContact C-N 3.29Å; D347-Y349 PolarHBondContact O-N 2.94Å; Y349-H351 PolarHBondContact O-N 2.94Å; Y349-N352 PolarHBondContact O-N 3.31Å
350	K	93.5	Very high	93.7	Very high	155 Å²	155	65.8 Å²	65.8	67%	0.674	34%	0.336	S	S	*	.	H	α-helix	trans	-66.8	-24.1	176.8	-66.2	178.2	-176.2	166	0	112.9	D347 Y348 N352	D347-K350 WeakPolarHBondContact O-CB 3.26Å; D347-K350 PolarHBondContact O-N 3.32Å; D347-K350 VanDerWaalsContact OD1-CE 3.32Å; D347-K350 WeakPolarHBondContact OD1-CE 3.5Å; D347-K350 IonicContact OD1-NZ 2.68Å; D347-K350 PolarHBondContact OD1-NZ 3.12Å; Y348-K350 VanDerWaalsContact C-N 3.3Å; Y348-K350 PolarHBondContact O-N 2.77Å; K350-N352 VanDerWaalsContact C-N 3.32Å
351	H	87.3	Confident	93.9	Very high	110 Å²	110	63.4 Å²	63.4	51%	0.509	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-15.4	-178.8	-68.6	-67.3	0	0	0	114	D347 Y348 Y349 D353	D347-H351 PolarHBondContact O-CD2 2.87Å; Y348-H351 PolarHBondContact O-N 3.48Å; Y349-H351 PolarHBondContact O-N 2.94Å; H351-D353 PolarHBondContact O-N 3.04Å; H351-D353 VanDerWaalsContact O-N 3.13Å
352	N	88.8	Confident	94	Very high	157 Å²	157	59.2 Å²	59.2	84%	0.84	31%	0.309	S	S	*	.			trans	48.8	36.6	-178.2	-162	35.1	0	0	0	113.9	Y349 K350	Y349-N352 PolarHBondContact O-N 3.31Å; K350-N352 VanDerWaalsContact C-N 3.32Å
353	D	91.1	Very high	94	Very high	43 Å²	43	58.4 Å²	58.4	23%	0.23	31%	0.305	C	S	.	.			trans	-134.2	98.8	179	178.4	6.8	0	0	0	109.1	R179 H351 S355 R356	R179-D353 IonicContact NH2-OD2 3.67Å; R179-D353 PolarHBondContact NH2-OD2 3.18Å; H351-D353 PolarHBondContact O-N 3.04Å; H351-D353 VanDerWaalsContact O-N 3.13Å; D353-S355 VanDerWaalsContact CG-OG 3.26Å; D353-S355 PolarHBondContact O-N 3.16Å; D353-S355 VanDerWaalsContact O-N 3.15Å; D353-S355 VanDerWaalsContact OD1-CB 3.31Å; D353-S355 WeakPolarHBondContact OD1-CB 3.41Å; D353-S355 PolarHBondContact OD1-N 3.06Å; D353-S355 PolarHBondContact OD1-OG 3.04Å; D353-S355 PolarHBondContact OD2-OG 3.38Å; D353-R356 HydrophobicContact CB-CG 3.92Å; D353-R356 PolarHBondContact O-N 2.84Å; D353-R356 VanDerWaalsContact OD2-CG 3.25Å; D353-R356 WeakPolarHBondContact OD2-CG 3.32Å
354	S	88.8	Confident	93.8	Very high	46 Å²	46	57.5 Å²	57.5	32%	0.322	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-4	-179	59.8	0	0	0	0	113.9	E173 P409	E173-S354 PolarHBondContact OE2-OG 3.02Å; S354-P409 WeakPolarHBondContact O-CB 3.29Å; S354-P409 WeakPolarHBondContact O-CG 3.1Å
355	S	93.3	Very high	93.2	Very high	7 Å²	7	58.1 Å²	58.1	5%	0.049	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-11.5	176.1	73.5	0	0	0	0	113.9	R179 D353 C410	R179-S355 PolarHBondContact NE-OG 2.94Å; R179-S355 PolarHBondContact NH2-OG 3.44Å; D353-S355 VanDerWaalsContact CG-OG 3.26Å; D353-S355 PolarHBondContact O-N 3.16Å; D353-S355 VanDerWaalsContact O-N 3.15Å; D353-S355 VanDerWaalsContact OD1-CB 3.31Å; D353-S355 WeakPolarHBondContact OD1-CB 3.41Å; D353-S355 PolarHBondContact OD1-N 3.06Å; D353-S355 PolarHBondContact OD1-OG 3.04Å; D353-S355 PolarHBondContact OD2-OG 3.38Å; S355-C410 VanDerWaalsContact CB-SG 3.51Å; S355-C410 PolarHBondContact O-SG 3.45Å; S355-C410 VanDerWaalsContact O-SG 3.36Å
356	R	94.8	Very high	93.3	Very high	114 Å²	114	55.6 Å²	55.6	43%	0.43	28%	0.278	S	S	.	.	S	Bend	trans	-75.6	144.1	-176.7	-61.9	-175.8	74.8	122.8	0.3	111	Y348 D353 P409	Y348-R356 WeakPolarHBondContact CE2-O 3.43Å; Y348-R356 PolarHBondContact OH-O 3.43Å; D353-R356 HydrophobicContact CB-CG 3.92Å; D353-R356 PolarHBondContact O-N 2.84Å; D353-R356 VanDerWaalsContact OD2-CG 3.25Å; D353-R356 WeakPolarHBondContact OD2-CG 3.32Å; R356-P409 WeakPolarHBondContact O-CD 3.35Å; R356-P409 WeakPolarHBondContact O-CG 3.27Å
357	P	96.9	Very high	93.5	Very high	35 Å²	35	51.2 Å²	51.2	23%	0.227	25%	0.25	C	C	.	.			trans	-57.3	141.8	166.6	-21.8	32.1	0	0	0	111.8	Q300 E406 V407 V408	Q300-P357 VanDerWaalsContact CD-CG 3.46Å; Q300-P357 HydrophobicContact CG-CG 3.94Å; P357-E406 HydrophobicContact CB-CB 4.15Å; P357-E406 HydrophobicContact CB-CG 4.29Å; P357-E406 WeakPolarHBondContact CB-OE2 3.32Å; P357-V407 CarbonylContact C-O 3.09Å; P357-V407 WeakPolarHBondContact CA-O 3.31Å; P357-V408 HydrophobicContact CB-CG2 4.27Å; P357-V408 HydrophobicContact CG-CG2 4.37Å
358	G	97.2	Very high	93.9	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.01	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	130.4	175.6	0	0	0	0	0	111.1	E406 V407	G358-E406 CarbonylContact O-C 3.58Å; G358-E406 WeakPolarHBondContact O-CA 3.49Å; G358-V407 PolarHBondContact N-O 3Å; G358-V407 PolarHBondContact O-N 3.17Å
359	K	97.7	Very high	94.1	Very high	100 Å²	100	45.2 Å²	45.2	44%	0.435	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	140.9	174.5	-66.9	-56.7	-167.3	-169.2	0	110.5	W399 S404 I405 E406	K359-W399 HydrophobicContact CB-CZ2 4.4Å; K359-W399 HydrophobicContact CD-CH2 3.87Å; K359-W399 HydrophobicContact CD-CZ2 4.2Å; K359-W399 HydrophobicContact CG-CH2 4.37Å; K359-S404 PolarHBondContact NZ-OG 3.03Å; K359-I405 WeakPolarHBondContact CA-O 3.31Å; K359-E406 HydrophobicContact CD-CG 3.7Å; K359-E406 WeakPolarHBondContact CE-OE1 3.4Å; K359-E406 IonicContact NZ-OE1 3.35Å; K359-E406 PolarHBondContact NZ-OE1 2.96Å
360	S	98.2	Very high	94.4	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.014	20%	0.203	C	C	.	.			trans	-132.8	135	-173.6	-179.3	0	0	0	0	111.4	H331 S362 W399 I405	H331-S360 WeakPolarHBondContact CA-OG 3.41Å; H331-S360 WeakPolarHBondContact CB-OG 3.4Å; H331-S360 PolarHBondContact N-OG 3.45Å; H331-S360 PolarHBondContact O-OG 3.35Å; S360-S362 VanDerWaalsContact C-N 3.27Å; S360-S362 WeakPolarHBondContact CB-O 3.27Å; S360-S362 PolarHBondContact O-N 3Å; S360-S362 PolarHBondContact OG-O 3.35Å; S360-W399 PolarHBondContact O-NE1 2.78Å; S360-I405 PolarHBondContact N-O 3.49Å
361	P	98	Very high	94.6	Very high	10 Å²	10	35.9 Å²	35.9	7%	0.065	18%	0.182	C	C	.	.	S	Bend	trans	-59.3	-35.9	176.7	-27	35	0	0	0	114.1	H331 Y486 I490 Y491	H331-P361 WeakPolarHBondContact O-CD 3.38Å; P361-Y486 VanDerWaalsContact C-OH 3.27Å; P361-Y486 WeakPolarHBondContact CB-OH 3.46Å; P361-Y486 PolarHBondContact O-OH 2.77Å; P361-I490 HydrophobicContact CB-CG2 4.49Å; P361-Y491 HydrophobicContact CB-CD1 3.97Å; P361-Y491 HydrophobicContact CB-CD2 4.06Å; P361-Y491 HydrophobicContact CB-CE1 4.47Å; P361-Y491 HydrophobicContact CB-CG 3.76Å; P361-Y491 HydrophobicContact CG-CD1 4.5Å; P361-Y491 HydrophobicContact CG-CD2 3.7Å; P361-Y491 HydrophobicContact CG-CE2 4.14Å; P361-Y491 HydrophobicContact CG-CG 3.93Å
362	S	97.5	Very high	95.2	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.184	C	C	.	.	S	Bend	trans	-135.1	-179.8	-176.4	-170.2	0	0	0	0	110.8	H331 S360 N391 I405	H331-S362 WeakPolarHBondContact CB-O 3.5Å; H331-S362 PolarHBondContact O-N 3.47Å; S360-S362 VanDerWaalsContact C-N 3.27Å; S360-S362 WeakPolarHBondContact CB-O 3.27Å; S360-S362 PolarHBondContact O-N 3Å; S360-S362 PolarHBondContact OG-O 3.35Å; S362-N391 PolarHBondContact OG-O 3.24Å; S362-I405 WeakPolarHBondContact O-CG2 3.48Å
363	V	95.3	Very high	95.6	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.006	15%	0.146	C	C	.	.			trans	-108	163.6	156.7	68.4	0	0	0	0	109.8	I366 L367 N391 L394	V363-I366 VanDerWaalsContact CG2-O 3.31Å; V363-I366 WeakPolarHBondContact CG2-O 3.4Å; V363-L367 HydrophobicContact CG2-CB 3.78Å; V363-N391 HydrophobicContact CG1-CB 4.35Å; V363-N391 WeakPolarHBondContact O-CB 3.41Å; V363-N391 PolarHBondContact O-ND2 3.47Å; V363-N391 VanDerWaalsContact O-ND2 3.13Å; V363-L394 HydrophobicContact CG1-CD2 3.93Å; V363-L394 HydrophobicContact CG1-CG 4.44Å
364	M	91.1	Very high	96	Very high	18 Å²	18	27.7 Å²	27.7	9%	0.089	14%	0.135	C	C	.	.			trans	-100.3	-134.9	169.7	-83.3	-173.3	158.4	0	0	109.3	F313 H331 C339 M340 Y341 N391	F313-M364 HydrophobicContact CD2-SD 4.49Å; F313-M364 HydrophobicContact CE2-CB 3.62Å; F313-M364 HydrophobicContact CE2-CG 4.47Å; F313-M364 HydrophobicContact CE2-SD 4.07Å; F313-M364 HydrophobicContact CZ-CB 4.16Å; H331-M364 HydrophobicContact CB-CG 3.94Å; H331-M364 PolarHBondContact ND1-N 2.63Å; C339-M364 HydrophobicContact CB-CE 4.09Å; C339-M364 HydrophobicContact CB-CG 4.23Å; M340-M364 VanDerWaalsContact C-CE 3.48Å; Y341-M364 HydrophobicContact CD1-CE 4.13Å; Y341-M364 HydrophobicContact CD1-SD 4.22Å; Y341-M364 HydrophobicContact CD2-CE 3.94Å; Y341-M364 HydrophobicContact CE1-CE 4.01Å; Y341-M364 HydrophobicContact CE1-SD 3.57Å; Y341-M364 VanDerWaalsContact CE1-SD 3.57Å; Y341-M364 HydrophobicContact CE2-CE 3.82Å; Y341-M364 HydrophobicContact CE2-SD 4.02Å; Y341-M364 HydrophobicContact CG-CE 4.12Å; M364-N391 VanDerWaalsContact O-CB 3.29Å; M364-N391 WeakPolarHBondContact O-CB 3.4Å
365	G	84.9	Confident	96.4	Very high	20 Å²	20	26.7 Å²	26.7	21%	0.206	13%	0.132	C	C	.	.	S	Bend	trans	-73.1	-48	-176.9	0	0	0	0	0	113.7	R268	R268-G365 PolarHBondContact NH2-O 3.21Å
366	I	95.2	Very high	96.6	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.005	15%	0.15	C	C	.	.			trans	-90.7	129.3	-174.5	-61.1	176.6	0	0	0	110.6	L283 I287 S310 P311 F313 V363 I413	L283-I366 HydrophobicContact CD2-CG2 3.39Å; I287-I366 HydrophobicContact CG2-CD1 4.13Å; S310-I366 PolarHBondContact OG-O 2.72Å; P311-I366 HydrophobicContact CG-CG2 3.83Å; F313-I366 HydrophobicContact CD1-CD1 4.1Å; F313-I366 HydrophobicContact CE1-CB 3.66Å; F313-I366 HydrophobicContact CE1-CD1 4Å; F313-I366 HydrophobicContact CE1-CG1 4.15Å; F313-I366 HydrophobicContact CE1-CG2 4.41Å; F313-I366 HydrophobicContact CZ-CB 3.86Å; F313-I366 HydrophobicContact CZ-CG1 4.38Å; V363-I366 VanDerWaalsContact CG2-O 3.31Å; V363-I366 WeakPolarHBondContact CG2-O 3.4Å; I366-I413 HydrophobicContact CD1-CB 4.32Å; I366-I413 HydrophobicContact CD1-CD1 4.03Å; I366-I413 HydrophobicContact CD1-CG2 3.92Å; I366-I413 HydrophobicContact CG2-CD1 4.21Å
367	L	96.4	Very high	96.8	Very high	2 Å²	2	25.4 Å²	25.4	1%	0.01	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	145.5	177.1	75.2	99.5	0	0	0	111.5	I282 V308 V363 A369 L374 L394	I282-L367 HydrophobicContact CB-CG 4.23Å; I282-L367 HydrophobicContact CD1-CD1 4.24Å; I282-L367 HydrophobicContact CD1-CG 4.5Å; I282-L367 PolarHBondContact N-O 3.13Å; I282-L367 PolarHBondContact O-N 2.88Å; V308-L367 HydrophobicContact CG1-CB 4.18Å; V308-L367 HydrophobicContact CG1-CD1 4.34Å; V363-L367 HydrophobicContact CG2-CB 3.78Å; L367-A369 HydrophobicContact CD1-CB 4.43Å; L367-L374 HydrophobicContact CD1-CD2 4.39Å; L367-L394 HydrophobicContact CD1-CD2 4.34Å; L367-L394 HydrophobicContact CD2-CD2 3.55Å; L367-L394 HydrophobicContact CG-CD2 4.45Å
368	V	98.7	Very high	96.8	Very high	2 Å²	2	24.8 Å²	24.8	1%	0.012	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	129.9	176	-170.5	0	0	0	0	108.6	V279 V280 A281 L297 I301 V309	V279-V368 HydrophobicContact CG1-CG1 3.38Å; V280-V368 VanDerWaalsContact O-CA 3.29Å; V280-V368 WeakPolarHBondContact O-CA 3.31Å; V280-V368 WeakPolarHBondContact O-CG1 3.42Å; A281-V368 HydrophobicContact CB-CB 4.43Å; A281-V368 HydrophobicContact CB-CG1 4.03Å; A281-V368 HydrophobicContact CB-CG2 3.75Å; L297-V368 HydrophobicContact CD1-CG2 3.82Å; I301-V368 HydrophobicContact CD1-CB 4.37Å; I301-V368 HydrophobicContact CD1-CG1 3.75Å; V309-V368 HydrophobicContact CG2-CB 3.91Å; V309-V368 PolarHBondContact N-O 3.47Å; V309-V368 PolarHBondContact O-N 2.85Å
369	A	98.7	Very high	96.7	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	154	-174.2	0	0	0	0	0	111.7	V279 V280 V308 L367 R371 L374	V279-A369 WeakPolarHBondContact CA-O 3.48Å; V279-A369 WeakPolarHBondContact CG1-O 3.35Å; V280-A369 WeakPolarHBondContact CG2-O 3.37Å; V280-A369 PolarHBondContact N-O 2.8Å; V280-A369 PolarHBondContact O-N 2.91Å; V308-A369 HydrophobicContact CG1-CB 4.4Å; V308-A369 HydrophobicContact CG2-CB 4.02Å; L367-A369 HydrophobicContact CD1-CB 4.43Å; A369-R371 PolarHBondContact O-N 2.79Å; A369-L374 HydrophobicContact CB-CB 4.36Å
370	D	98.9	Very high	96.6	Very high	24 Å²	24	20.7 Å²	20.7	13%	0.128	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.5	127.9	165.1	176.4	-80.3	0	0	0	109.4	I301 R305 K372 F373 L374	I301-D370 HydrophobicContact CG2-CB 3.89Å; R305-D370 HydrophobicContact CB-CB 4.15Å; R305-D370 IonicContact NH1-OD1 3.09Å; R305-D370 VanDerWaalsContact O-CB 3.31Å; R305-D370 WeakPolarHBondContact O-CB 3.02Å; D370-K372 VanDerWaalsContact C-N 3.31Å; D370-K372 PolarHBondContact O-N 2.78Å; D370-K372 WeakPolarHBondContact OD1-CA 3.29Å; D370-K372 WeakPolarHBondContact OD1-CB 3.39Å; D370-K372 PolarHBondContact OD1-N 2.92Å; D370-F373 HydrophobicContact CB-CB 3.95Å; D370-F373 PolarHBondContact O-N 2.7Å; D370-F373 PolarHBondContact OD1-N 3.12Å; D370-L374 WeakPolarHBondContact O-CB 3.14Å; D370-L374 PolarHBondContact O-N 2.86Å
371	R	98.8	Very high	96.6	Very high	60 Å²	60	20.9 Å²	20.9	23%	0.226	11%	0.114	C	C	.	.	H	α-helix	trans	-64	-39.2	-172.5	-175.4	-176.9	57.2	82.1	4.1	111.5	W272 A275 A277 D278 V280 A369 G375	W272-R371 PolarHBondContact NE1-O 2.97Å; A275-R371 VanDerWaalsContact O-CD 3.29Å; A275-R371 WeakPolarHBondContact O-CD 3.43Å; A277-R371 WeakPolarHBondContact O-CD 3.32Å; A277-R371 PolarHBondContact O-NE 2.81Å; D278-R371 WeakPolarHBondContact O-CB 3.14Å; D278-R371 PolarHBondContact O-N 3.17Å; V280-R371 HydrophobicContact CG1-CB 3.99Å; V280-R371 HydrophobicContact CG1-CG 3.78Å; A369-R371 PolarHBondContact O-N 2.79Å; R371-G375 PolarHBondContact O-N 3.42Å
372	K	98.6	Very high	96.5	Very high	128 Å²	128	24.3 Å²	24.3	56%	0.557	13%	0.129	S	C	*	.	H	α-helix	trans	-71.6	-46.8	-178	-67.6	177.1	179.8	172	0	110.2	D370 L374 G375 E376	D370-K372 VanDerWaalsContact C-N 3.31Å; D370-K372 PolarHBondContact O-N 2.78Å; D370-K372 WeakPolarHBondContact OD1-CA 3.29Å; D370-K372 WeakPolarHBondContact OD1-CB 3.39Å; D370-K372 PolarHBondContact OD1-N 2.92Å; K372-L374 VanDerWaalsContact C-N 3.34Å; K372-L374 PolarHBondContact O-N 3.39Å; K372-G375 CarbonylContact O-C 3.58Å; K372-G375 WeakPolarHBondContact O-CA 3.47Å; K372-G375 PolarHBondContact O-N 3.37Å; K372-E376 VanDerWaalsContact O-CG 3.3Å; K372-E376 WeakPolarHBondContact O-CG 3.25Å; K372-E376 PolarHBondContact O-N 3.48Å
373	F	98.6	Very high	96.4	Very high	9 Å²	9	25.5 Å²	25.5	4%	0.039	14%	0.142	C	C	.	.	H	α-helix	trans	-56.1	-47.9	175.6	174.7	-114.3	0	0	0	111.5	T306 V308 D370 G375 E376 I377	T306-F373 HydrophobicContact CG2-CD2 3.99Å; T306-F373 HydrophobicContact CG2-CE2 3.94Å; T306-F373 WeakPolarHBondContact O-CE1 3.32Å; T306-F373 WeakPolarHBondContact O-CZ 3.32Å; V308-F373 HydrophobicContact CG2-CE1 4.17Å; D370-F373 HydrophobicContact CB-CB 3.95Å; D370-F373 PolarHBondContact O-N 2.7Å; D370-F373 PolarHBondContact OD1-N 3.12Å; F373-G375 PolarHBondContact O-N 2.95Å; F373-E376 WeakPolarHBondContact O-CB 3.4Å; F373-E376 PolarHBondContact O-N 2.94Å; F373-E376 VanDerWaalsContact O-N 3.07Å; F373-I377 HydrophobicContact CD2-CG2 4.18Å; F373-I377 HydrophobicContact CE1-CD1 4.01Å; F373-I377 HydrophobicContact CE2-CG2 3.6Å; F373-I377 HydrophobicContact CZ-CD1 4.12Å; F373-I377 HydrophobicContact CZ-CG2 3.85Å; F373-I377 WeakPolarHBondContact O-CG1 3.32Å; F373-I377 PolarHBondContact O-N 2.72Å
374	L	98.1	Very high	96.4	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.005	14%	0.142	C	C	.	.	H	α-helix	trans	-57.9	-36.8	177.3	-173.9	59.1	0	0	0	111.8	W272 V280 I282 L367 A369 D370 K372 I377 G378 V379 L394	W272-L374 HydrophobicContact CG-CD2 4.47Å; V280-L374 HydrophobicContact CG2-CD2 3.88Å; I282-L374 HydrophobicContact CD1-CD2 4.31Å; L367-L374 HydrophobicContact CD1-CD2 4.39Å; A369-L374 HydrophobicContact CB-CB 4.36Å; D370-L374 WeakPolarHBondContact O-CB 3.14Å; D370-L374 PolarHBondContact O-N 2.86Å; K372-L374 VanDerWaalsContact C-N 3.34Å; K372-L374 PolarHBondContact O-N 3.39Å; L374-I377 HydrophobicContact CD1-CD1 4.3Å; L374-I377 HydrophobicContact CD1-CG1 4.42Å; L374-I377 WeakPolarHBondContact O-CG1 3.22Å; L374-G378 PolarHBondContact O-N 2.74Å; L374-V379 HydrophobicContact CD2-CG1 4.42Å; L374-V379 HydrophobicContact CG-CG1 4.31Å; L374-V379 VanDerWaalsContact O-CA 3.3Å; L374-V379 WeakPolarHBondContact O-CA 3.36Å; L374-V379 PolarHBondContact O-N 3.23Å; L374-L394 HydrophobicContact CD1-CD1 4.15Å
375	G	98.1	Very high	96.4	Very high	25 Å²	25	30.6 Å²	30.6	26%	0.258	16%	0.163	S	C	.	.	H	α-helix	trans	-67.7	-43.8	172.7	0	0	0	0	0	114.2	R371 K372 F373 I377 G378	R371-G375 PolarHBondContact O-N 3.42Å; K372-G375 CarbonylContact O-C 3.58Å; K372-G375 WeakPolarHBondContact O-CA 3.47Å; K372-G375 PolarHBondContact O-N 3.37Å; F373-G375 PolarHBondContact O-N 2.95Å; G375-I377 VanDerWaalsContact C-N 3.25Å; G375-I377 PolarHBondContact O-N 3.39Å; G375-G378 PolarHBondContact O-N 3.35Å
376	E	98.1	Very high	96.6	Very high	91 Å²	91	31.2 Å²	31.2	43%	0.425	16%	0.163	S	C	.	.	H	α-helix	trans	-58.3	-38.6	178	-69.7	160.1	-151.4	0	0	111.5	R305 K372 F373 G378	R305-E376 IonicContact CZ-OE1 2.7Å; R305-E376 IonicContact CZ-OE2 2.68Å; R305-E376 IonicContact NH1-OE1 3.66Å; R305-E376 PolarHBondContact NH1-OE1 3.47Å; R305-E376 IonicContact NH1-OE2 3.82Å; R305-E376 PolarHBondContact NH1-OE2 2.77Å; R305-E376 IonicContact NH2-OE1 2.8Å; R305-E376 PolarHBondContact NH2-OE1 3.34Å; R305-E376 IonicContact NH2-OE2 2.78Å; R305-E376 PolarHBondContact NH2-OE2 3.14Å; K372-E376 VanDerWaalsContact O-CG 3.3Å; K372-E376 WeakPolarHBondContact O-CG 3.25Å; K372-E376 PolarHBondContact O-N 3.48Å; F373-E376 WeakPolarHBondContact O-CB 3.4Å; F373-E376 PolarHBondContact O-N 2.94Å; F373-E376 VanDerWaalsContact O-N 3.07Å; E376-G378 VanDerWaalsContact C-N 3.27Å; E376-G378 PolarHBondContact O-N 2.92Å
377	I	97.6	Very high	96.3	Very high	4 Å²	4	33.8 Å²	33.8	2%	0.021	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87	12	175.7	68.7	167.3	0	0	0	113.5	F373 L374 G375 L394 R397 V398 L478	F373-I377 HydrophobicContact CD2-CG2 4.18Å; F373-I377 HydrophobicContact CE1-CD1 4.01Å; F373-I377 HydrophobicContact CE2-CG2 3.6Å; F373-I377 HydrophobicContact CZ-CD1 4.12Å; F373-I377 HydrophobicContact CZ-CG2 3.85Å; F373-I377 WeakPolarHBondContact O-CG1 3.32Å; F373-I377 PolarHBondContact O-N 2.72Å; L374-I377 HydrophobicContact CD1-CD1 4.3Å; L374-I377 HydrophobicContact CD1-CG1 4.42Å; L374-I377 WeakPolarHBondContact O-CG1 3.22Å; G375-I377 VanDerWaalsContact C-N 3.25Å; G375-I377 PolarHBondContact O-N 3.39Å; I377-L394 HydrophobicContact CD1-CD1 4.25Å; I377-R397 WeakPolarHBondContact O-CD 3.33Å; I377-R397 PolarHBondContact O-NH1 3.48Å; I377-V398 HydrophobicContact CD1-CG2 3.68Å; I377-L478 HydrophobicContact CB-CD1 4.4Å; I377-L478 HydrophobicContact CG2-CD1 4.39Å
378	G	96.6	Very high	96	Very high	21 Å²	21	33.8 Å²	33.8	22%	0.216	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.9	32.4	174	0	0	0	0	0	115.5	L374 G375 E376 L380 R471	L374-G378 PolarHBondContact O-N 2.74Å; G375-G378 PolarHBondContact O-N 3.35Å; E376-G378 VanDerWaalsContact C-N 3.27Å; E376-G378 PolarHBondContact O-N 2.92Å; G378-L380 PolarHBondContact O-N 2.94Å; G378-L380 VanDerWaalsContact O-N 3.13Å; G378-R471 PolarHBondContact O-NH1 2.81Å
379	V	96.3	Very high	95.7	Very high	11 Å²	11	33.8 Å²	33.8	7%	0.067	17%	0.174	C	C	.	.	S	Bend	trans	53.2	-108.4	167.6	-165.3	0	0	0	0	113.5	A269 W272 L374 R397	A269-V379 HydrophobicContact CB-CG1 4.02Å; W272-V379 HydrophobicContact CB-CG1 4.15Å; W272-V379 HydrophobicContact CD2-CG1 4.13Å; W272-V379 HydrophobicContact CD2-CG2 3.62Å; W272-V379 HydrophobicContact CE3-CB 4.49Å; W272-V379 HydrophobicContact CE3-CG1 4.25Å; W272-V379 HydrophobicContact CE3-CG2 3.46Å; W272-V379 VanDerWaalsContact CE3-CG2 3.46Å; W272-V379 HydrophobicContact CG-CG1 4.07Å; W272-V379 HydrophobicContact CG-CG2 4.35Å; W272-V379 HydrophobicContact CH2-CG2 3.89Å; W272-V379 HydrophobicContact CZ2-CG2 4.03Å; W272-V379 HydrophobicContact CZ3-CG2 3.61Å; L374-V379 HydrophobicContact CD2-CG1 4.42Å; L374-V379 HydrophobicContact CG-CG1 4.31Å; L374-V379 VanDerWaalsContact O-CA 3.3Å; L374-V379 WeakPolarHBondContact O-CA 3.36Å; L374-V379 PolarHBondContact O-N 3.23Å; V379-R397 PolarHBondContact O-NH1 3.47Å; V379-R397 PolarHBondContact O-NH2 2.82Å
380	L	95.9	Very high	95.6	Very high	5 Å²	5	34 Å²	34	3%	0.026	18%	0.175	C	C	.	.	S	Bend	trans	-130.8	152.8	177.5	-74.6	153.9	0	0	0	108.1	A265 R268 G378 E382 E390 L394	A265-L380 HydrophobicContact CB-CB 4.46Å; R268-L380 HydrophobicContact CB-CD1 3.16Å; R268-L380 HydrophobicContact CG-CD1 3.97Å; G378-L380 PolarHBondContact O-N 2.94Å; G378-L380 VanDerWaalsContact O-N 3.13Å; L380-E382 PolarHBondContact O-N 3.09Å; L380-E390 HydrophobicContact CD2-CB 4.27Å; L380-E390 HydrophobicContact CD2-CG 4.35Å; L380-L394 HydrophobicContact CD2-CB 4.36Å; L380-L394 HydrophobicContact CD2-CD2 4.34Å
381	D	97	Very high	95.4	Very high	5 Å²	5	33.2 Å²	33.2	3%	0.027	17%	0.171	C	C	.	.			trans	-69.9	96.8	176.6	179.4	17.5	0	0	0	111	A265 G383 M384 R437	A265-D381 WeakPolarHBondContact CB-O 3.45Å; D381-G383 PolarHBondContact O-N 3.42Å; D381-G383 VanDerWaalsContact O-N 3.07Å; D381-G383 PolarHBondContact OD1-N 3.49Å; D381-M384 HydrophobicContact CB-CE 4.17Å; D381-M384 HydrophobicContact CB-CG 4.01Å; D381-M384 HydrophobicContact CB-SD 4.31Å; D381-M384 WeakPolarHBondContact O-CB 3.29Å; D381-M384 PolarHBondContact O-N 3.44Å; D381-R437 VanDerWaalsContact CG-NH2 3.3Å; D381-R437 IonicContact OD1-CZ 3.21Å; D381-R437 IonicContact OD1-NE 3.79Å; D381-R437 IonicContact OD1-NH2 2.97Å; D381-R437 PolarHBondContact OD1-NH2 3.3Å; D381-R437 IonicContact OD2-CZ 3.12Å; D381-R437 VanDerWaalsContact OD2-CZ 3.3Å; D381-R437 IonicContact OD2-NE 2.73Å; D381-R437 PolarHBondContact OD2-NE 3.11Å; D381-R437 IonicContact OD2-NH2 2.67Å; D381-R437 PolarHBondContact OD2-NH2 2.63Å
382	E	95.8	Very high	95.3	Very high	82 Å²	82	30.4 Å²	30.4	38%	0.383	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-12.5	177.8	-65.7	-167.2	-161.8	0	0	113.6	F266 A269 R273 L380 M384	F266-E382 HydrophobicContact CD2-CB 4.03Å; F266-E382 HydrophobicContact CD2-CG 4.19Å; F266-E382 VanDerWaalsContact CD2-OE2 3.26Å; F266-E382 WeakPolarHBondContact CD2-OE2 3.37Å; F266-E382 WeakPolarHBondContact CE2-OE2 3.42Å; A269-E382 HydrophobicContact CB-CG 3.79Å; A269-E382 VanDerWaalsContact CB-OE1 3.3Å; A269-E382 WeakPolarHBondContact CB-OE1 3.35Å; R273-E382 IonicContact CZ-OE1 2.61Å; R273-E382 IonicContact NE-OE1 2.71Å; R273-E382 PolarHBondContact NE-OE1 2.54Å; R273-E382 IonicContact NH2-OE1 3.77Å; R273-E382 PolarHBondContact NH2-OE1 2.74Å; R273-E382 IonicContact NH2-OE2 3.6Å; R273-E382 PolarHBondContact NH2-OE2 2.95Å; R273-E382 VanDerWaalsContact NH2-OE2 3.09Å; L380-E382 PolarHBondContact O-N 3.09Å; E382-M384 VanDerWaalsContact C-N 3.32Å
383	G	95.8	Very high	95.3	Very high	26 Å²	26	24.3 Å²	24.3	27%	0.268	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-4.7	173	0	0	0	0	0	114.6	D381 R433 R437	D381-G383 PolarHBondContact O-N 3.42Å; D381-G383 VanDerWaalsContact O-N 3.07Å; D381-G383 PolarHBondContact OD1-N 3.49Å; G383-R433 PolarHBondContact O-NH1 3.27Å; G383-R433 PolarHBondContact O-NH2 2.88Å; G383-R437 PolarHBondContact O-NE 3.22Å
384	M	95.6	Very high	95.2	Very high	4 Å²	4	23.9 Å²	23.9	2%	0.02	13%	0.132	C	C	.	.			trans	-74.3	137	171.5	-69.4	-173	173.6	0	0	111.2	A265 D381 E382 E390 E393 N434 V438	A265-M384 HydrophobicContact CB-CB 3.98Å; D381-M384 HydrophobicContact CB-CE 4.17Å; D381-M384 HydrophobicContact CB-CG 4.01Å; D381-M384 HydrophobicContact CB-SD 4.31Å; D381-M384 WeakPolarHBondContact O-CB 3.29Å; D381-M384 PolarHBondContact O-N 3.44Å; E382-M384 VanDerWaalsContact C-N 3.32Å; M384-E390 WeakPolarHBondContact SD-CA 3.42Å; M384-E390 HydrophobicContact SD-CB 3.53Å; M384-E390 VanDerWaalsContact SD-CB 3.53Å; M384-E393 HydrophobicContact CE-CB 3.65Å; M384-E393 HydrophobicContact CE-CG 3.77Å; M384-N434 WeakPolarHBondContact CA-OD1 3.35Å; M384-N434 HydrophobicContact CG-CB 4.28Å; M384-N434 HydrophobicContact SD-CB 4.48Å; M384-V438 HydrophobicContact CE-CG2 3.41Å; M384-V438 VanDerWaalsContact CE-CG2 3.41Å
385	K	91.6	Very high	95.2	Very high	121 Å²	121	23.9 Å²	23.9	53%	0.526	13%	0.132	S	C	.	.			trans	-104.2	142.9	-176.8	-66.8	-166.7	178.4	-171	0	111.3	Y387 N434	K385-Y387 PolarHBondContact O-N 2.78Å; K385-N434 PolarHBondContact N-OD1 3.38Å; K385-N434 PolarHBondContact O-ND2 2.66Å
386	V	89.3	Confident	95.3	Very high	33 Å²	33	22.7 Å²	22.7	20%	0.2	12%	0.119	C	C	.	.	S	Bend	trans	60.4	-84.1	172.9	-172.1	0	0	0	0	113.2	L264 M424 L427 A430	L264-V386 WeakPolarHBondContact CB-O 3.3Å; L264-V386 PolarHBondContact N-O 3.44Å; V386-M424 HydrophobicContact CB-CE 4.21Å; V386-M424 HydrophobicContact CG1-CE 3.7Å; V386-M424 HydrophobicContact CG1-SD 3.95Å; V386-M424 HydrophobicContact CG2-CE 3.62Å; V386-M424 HydrophobicContact CG2-SD 4.44Å; V386-L427 HydrophobicContact CG1-CD2 4.39Å; V386-A430 HydrophobicContact CB-CB 4.06Å; V386-A430 HydrophobicContact CG2-CB 4.33Å
387	Y	88.9	Confident	95.3	Very high	56 Å²	56	18.3 Å²	18.3	22%	0.22	10%	0.099	C	C	.	.	S	Bend	trans	-160.2	148.1	-171.2	178.5	-89.5	0	0	0	110.9	L264 K385 K421 L427 N434	L264-Y387 HydrophobicContact CD2-CD2 3.61Å; L264-Y387 HydrophobicContact CD2-CE2 3.85Å; K385-Y387 PolarHBondContact O-N 2.78Å; Y387-K421 VanDerWaalsContact CZ-NZ 3.28Å; Y387-K421 PolarHBondContact OH-NZ 3.38Å; Y387-L427 HydrophobicContact CD1-CD1 3.94Å; Y387-L427 HydrophobicContact CD1-CD2 4.48Å; Y387-L427 HydrophobicContact CE1-CD1 4.42Å; Y387-N434 PolarHBondContact O-ND2 3.17Å
388	G	89.9	Confident	95.3	Very high	2 Å²	2	18.1 Å²	18.1	2%	0.021	10%	0.098	C	C	.	.	S	Bend	trans	102.2	139.8	163.2	0	0	0	0	0	113.5	E390 N434	G388-E390 VanDerWaalsContact C-N 3.26Å; G388-E390 VanDerWaalsContact C-OE2 3.24Å; G388-E390 VanDerWaalsContact CA-OE2 3.26Å; G388-E390 WeakPolarHBondContact CA-OE2 3.4Å; G388-E390 PolarHBondContact N-OE2 3.2Å; G388-E390 PolarHBondContact O-N 2.75Å; G388-N434 WeakPolarHBondContact O-CB 3.45Å; G388-N434 PolarHBondContact O-ND2 3.19Å
389	G	92.7	Very high	95.4	Very high	2 Å²	2	18.5 Å²	18.5	2%	0.021	9%	0.093	C	C	.	.	S	Bend	trans	84.8	-17.3	-179.3	0	0	0	0	0	114.3	N391 V392 E393	G389-N391 VanDerWaalsContact C-N 3.33Å; G389-N391 PolarHBondContact O-N 2.81Å; G389-V392 PolarHBondContact O-N 3.01Å; G389-E393 WeakPolarHBondContact O-CB 3.32Å; G389-E393 PolarHBondContact O-N 2.94Å
390	E	94.8	Very high	95.5	Very high	4 Å²	4	18.1 Å²	18.1	2%	0.019	9%	0.091	C	C	.	.	H	α-helix	trans	-68	-34.3	-175.5	81.3	-67.7	166.9	0	0	112.9	L264 A265 R268 L380 M384 G388 L394	L264-E390 WeakPolarHBondContact CD2-OE1 3.46Å; A265-E390 HydrophobicContact CB-CB 4.21Å; R268-E390 IonicContact CZ-OE1 2.98Å; R268-E390 IonicContact NH1-OE1 2.8Å; R268-E390 PolarHBondContact NH1-OE1 2.65Å; L380-E390 HydrophobicContact CD2-CB 4.27Å; L380-E390 HydrophobicContact CD2-CG 4.35Å; M384-E390 WeakPolarHBondContact SD-CA 3.42Å; M384-E390 HydrophobicContact SD-CB 3.53Å; M384-E390 VanDerWaalsContact SD-CB 3.53Å; G388-E390 VanDerWaalsContact C-N 3.26Å; G388-E390 VanDerWaalsContact C-OE2 3.24Å; G388-E390 VanDerWaalsContact CA-OE2 3.26Å; G388-E390 WeakPolarHBondContact CA-OE2 3.4Å; G388-E390 PolarHBondContact N-OE2 3.2Å; G388-E390 PolarHBondContact O-N 2.75Å; E390-L394 WeakPolarHBondContact O-CB 3.27Å; E390-L394 PolarHBondContact O-N 2.9Å
391	N	95	Very high	95.6	Very high	8 Å²	8	18.9 Å²	18.9	4%	0.043	10%	0.096	C	C	.	.	H	α-helix	trans	-70.5	-40.2	177.1	64.7	-54.4	0	0	0	111.6	S362 V363 M364 G389 G395	S362-N391 PolarHBondContact OG-O 3.24Å; V363-N391 HydrophobicContact CG1-CB 4.35Å; V363-N391 WeakPolarHBondContact O-CB 3.41Å; V363-N391 PolarHBondContact O-ND2 3.47Å; V363-N391 VanDerWaalsContact O-ND2 3.13Å; M364-N391 VanDerWaalsContact O-CB 3.29Å; M364-N391 WeakPolarHBondContact O-CB 3.4Å; G389-N391 VanDerWaalsContact C-N 3.33Å; G389-N391 PolarHBondContact O-N 2.81Å; N391-G395 PolarHBondContact O-N 2.68Å
392	V	97.3	Very high	95.5	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-69.3	-43	175.5	176.8	0	0	0	0	111.1	F333 L337 G389 L394 G395 I396	F333-V392 HydrophobicContact CB-CG2 3.66Å; F333-V392 HydrophobicContact CD1-CB 4.38Å; F333-V392 HydrophobicContact CD1-CG1 3.74Å; F333-V392 HydrophobicContact CD1-CG2 3.93Å; F333-V392 HydrophobicContact CD2-CG1 3.74Å; F333-V392 HydrophobicContact CD2-CG2 4.35Å; F333-V392 HydrophobicContact CE1-CG1 3.71Å; F333-V392 HydrophobicContact CE2-CG1 3.72Å; F333-V392 HydrophobicContact CG-CB 4.4Å; F333-V392 HydrophobicContact CG-CG1 3.76Å; F333-V392 HydrophobicContact CG-CG2 3.73Å; F333-V392 HydrophobicContact CZ-CG1 3.7Å; L337-V392 HydrophobicContact CB-CG2 4.32Å; L337-V392 HydrophobicContact CD1-CG1 4.46Å; L337-V392 HydrophobicContact CD2-CG1 3.92Å; G389-V392 PolarHBondContact O-N 3.01Å; V392-L394 PolarHBondContact O-N 3.14Å; V392-G395 WeakPolarHBondContact O-CA 3.11Å; V392-G395 PolarHBondContact O-N 3.07Å; V392-G395 VanDerWaalsContact O-N 3.12Å; V392-I396 HydrophobicContact CG1-CD1 3.87Å; V392-I396 HydrophobicContact CG1-CG1 4.4Å; V392-I396 WeakPolarHBondContact O-CG1 3.5Å; V392-I396 PolarHBondContact O-N 3.37Å
393	E	98.1	Very high	95.6	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-56.9	-49	175.1	-170.8	-83.3	163.7	0	0	111.7	M384 G389 G395 I396 R397 V438 W442 R471	M384-E393 HydrophobicContact CE-CB 3.65Å; M384-E393 HydrophobicContact CE-CG 3.77Å; G389-E393 WeakPolarHBondContact O-CB 3.32Å; G389-E393 PolarHBondContact O-N 2.94Å; E393-G395 VanDerWaalsContact C-N 3.29Å; E393-G395 PolarHBondContact O-N 3.33Å; E393-I396 PolarHBondContact O-N 2.87Å; E393-R397 VanDerWaalsContact O-CB 3.27Å; E393-R397 WeakPolarHBondContact O-CB 3.26Å; E393-R397 PolarHBondContact O-N 2.75Å; E393-R397 IonicContact OE1-CZ 3.56Å; E393-R397 IonicContact OE1-NE 2.74Å; E393-R397 PolarHBondContact OE1-NE 3.11Å; E393-R397 VanDerWaalsContact OE1-NE 3.15Å; E393-R397 IonicContact OE1-NH2 3.65Å; E393-R397 IonicContact OE2-CZ 3.3Å; E393-R397 IonicContact OE2-NE 3.86Å; E393-R397 PolarHBondContact OE2-NE 3.08Å; E393-R397 IonicContact OE2-NH2 3.76Å; E393-R397 PolarHBondContact OE2-NH2 3.4Å; E393-V438 HydrophobicContact CB-CG1 4.4Å; E393-V438 HydrophobicContact CB-CG2 3.71Å; E393-V438 HydrophobicContact CG-CG2 4.02Å; E393-W442 PolarHBondContact OE1-NE1 3.4Å; E393-R471 IonicContact OE1-CZ 2.6Å; E393-R471 IonicContact OE1-NE 3.24Å; E393-R471 IonicContact OE1-NH2 3.95Å; E393-R471 PolarHBondContact OE1-NH2 2.93Å; E393-R471 IonicContact OE2-NH2 2.76Å
394	L	97.9	Very high	95.8	Very high	1 Å²	1	17 Å²	17	1%	0.005	10%	0.099	C	C	.	.	H	α-helix	trans	-62	-41.1	175.7	178.9	64.7	0	0	0	110.8	V363 L367 L374 I377 L380 E390 V392 R397 V398	V363-L394 HydrophobicContact CG1-CD2 3.93Å; V363-L394 HydrophobicContact CG1-CG 4.44Å; L367-L394 HydrophobicContact CD1-CD2 4.34Å; L367-L394 HydrophobicContact CD2-CD2 3.55Å; L367-L394 HydrophobicContact CG-CD2 4.45Å; L374-L394 HydrophobicContact CD1-CD1 4.15Å; I377-L394 HydrophobicContact CD1-CD1 4.25Å; L380-L394 HydrophobicContact CD2-CB 4.36Å; L380-L394 HydrophobicContact CD2-CD2 4.34Å; E390-L394 WeakPolarHBondContact O-CB 3.27Å; E390-L394 PolarHBondContact O-N 2.9Å; V392-L394 PolarHBondContact O-N 3.14Å; L394-R397 VanDerWaalsContact CD1-NH2 3.26Å; L394-R397 PolarHBondContact O-N 2.78Å; L394-V398 HydrophobicContact CD1-CG2 3.68Å; L394-V398 HydrophobicContact CG-CG2 4.09Å; L394-V398 WeakPolarHBondContact O-CB 3.29Å; L394-V398 VanDerWaalsContact O-CG2 3.23Å; L394-V398 WeakPolarHBondContact O-CG2 3.49Å; L394-V398 PolarHBondContact O-N 2.7Å
395	G	97.9	Very high	95.9	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-48.6	-60.1	173.1	0	0	0	0	0	113.2	N391 V392 E393 W399	N391-G395 PolarHBondContact O-N 2.68Å; V392-G395 WeakPolarHBondContact O-CA 3.11Å; V392-G395 PolarHBondContact O-N 3.07Å; V392-G395 VanDerWaalsContact O-N 3.12Å; E393-G395 VanDerWaalsContact C-N 3.29Å; E393-G395 PolarHBondContact O-N 3.33Å; G395-W399 VanDerWaalsContact O-CD1 3.31Å; G395-W399 PolarHBondContact O-N 2.97Å
396	I	98.5	Very high	96.2	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-62.8	-45.4	-178.9	-62.1	165.1	0	0	0	110.4	F333 V392 E393 T400 V438 W442 M443 F483 Y486	F333-I396 HydrophobicContact CZ-CD1 4.21Å; F333-I396 HydrophobicContact CZ-CG1 4.24Å; V392-I396 HydrophobicContact CG1-CD1 3.87Å; V392-I396 HydrophobicContact CG1-CG1 4.4Å; V392-I396 WeakPolarHBondContact O-CG1 3.5Å; V392-I396 PolarHBondContact O-N 3.37Å; E393-I396 PolarHBondContact O-N 2.87Å; I396-T400 HydrophobicContact CG2-CG2 4.1Å; I396-T400 WeakPolarHBondContact O-CB 3.28Å; I396-T400 VanDerWaalsContact O-CG2 3.27Å; I396-T400 WeakPolarHBondContact O-CG2 3.47Å; I396-T400 PolarHBondContact O-N 3.09Å; I396-T400 PolarHBondContact O-OG1 3.42Å; I396-V438 HydrophobicContact CD1-CG1 4.02Å; I396-W442 HydrophobicContact CG2-CB 3.89Å; I396-W442 HydrophobicContact CG2-CE3 4.39Å; I396-W442 HydrophobicContact CG2-CG 4.35Å; I396-M443 HydrophobicContact CD1-CE 3.74Å; I396-F483 HydrophobicContact CD1-CE2 3.71Å; I396-F483 HydrophobicContact CD1-CZ 4.39Å; I396-F483 HydrophobicContact CG1-CE2 3.94Å; I396-F483 HydrophobicContact CG2-CD2 3.86Å; I396-F483 HydrophobicContact CG2-CE2 3.92Å; I396-Y486 HydrophobicContact CG1-CE1 4.25Å; I396-Y486 HydrophobicContact CG1-CE2 4.45Å
397	R	98.1	Very high	96.7	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-62.9	-49	-178.2	172.7	165.5	41.2	92.6	7.8	112.7	I377 V379 E393 L394 W399 T400 C401 W442	I377-R397 WeakPolarHBondContact O-CD 3.33Å; I377-R397 PolarHBondContact O-NH1 3.48Å; V379-R397 PolarHBondContact O-NH1 3.47Å; V379-R397 PolarHBondContact O-NH2 2.82Å; E393-R397 VanDerWaalsContact O-CB 3.27Å; E393-R397 WeakPolarHBondContact O-CB 3.26Å; E393-R397 PolarHBondContact O-N 2.75Å; E393-R397 IonicContact OE1-CZ 3.56Å; E393-R397 IonicContact OE1-NE 2.74Å; E393-R397 PolarHBondContact OE1-NE 3.11Å; E393-R397 VanDerWaalsContact OE1-NE 3.15Å; E393-R397 IonicContact OE1-NH2 3.65Å; E393-R397 IonicContact OE2-CZ 3.3Å; E393-R397 IonicContact OE2-NE 3.86Å; E393-R397 PolarHBondContact OE2-NE 3.08Å; E393-R397 IonicContact OE2-NH2 3.76Å; E393-R397 PolarHBondContact OE2-NH2 3.4Å; L394-R397 VanDerWaalsContact CD1-NH2 3.26Å; L394-R397 PolarHBondContact O-N 2.78Å; R397-W399 VanDerWaalsContact C-N 3.32Å; R397-W399 PolarHBondContact O-N 2.86Å; R397-T400 PolarHBondContact O-N 2.81Å; R397-T400 PolarHBondContact O-OG1 3.01Å; R397-C401 WeakPolarHBondContact O-CB 3.37Å; R397-C401 PolarHBondContact O-N 3.44Å; R397-C401 PolarHBondContact O-SG 2.77Å; R397-W442 HydrophobicContact CB-CD2 4.43Å; R397-W442 HydrophobicContact CB-CE3 4.4Å; R397-W442 HydrophobicContact CB-CH2 3.73Å; R397-W442 HydrophobicContact CB-CZ2 3.74Å; R397-W442 HydrophobicContact CB-CZ3 4.04Å; R397-W442 VanDerWaalsContact CD-CZ2 3.42Å; R397-W442 HydrophobicContact CG-CH2 3.48Å; R397-W442 VanDerWaalsContact CG-CH2 3.48Å; R397-W442 HydrophobicContact CG-CZ2 3.72Å; R397-W442 HydrophobicContact CG-CZ3 4.14Å
398	V	98.6	Very high	97.1	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-55.8	-50.1	-179.5	168.8	0	0	0	0	110.1	V308 I377 L394 G402 G403 S404 I405	V308-V398 HydrophobicContact CG2-CG1 4.1Å; V308-V398 HydrophobicContact CG2-CG2 3.78Å; I377-V398 HydrophobicContact CD1-CG2 3.68Å; L394-V398 HydrophobicContact CD1-CG2 3.68Å; L394-V398 HydrophobicContact CG-CG2 4.09Å; L394-V398 WeakPolarHBondContact O-CB 3.29Å; L394-V398 VanDerWaalsContact O-CG2 3.23Å; L394-V398 WeakPolarHBondContact O-CG2 3.49Å; L394-V398 PolarHBondContact O-N 2.7Å; V398-G402 PolarHBondContact O-N 3.41Å; V398-G403 CarbonylContact O-C 3.51Å; V398-G403 WeakPolarHBondContact O-CA 3.23Å; V398-G403 PolarHBondContact O-N 2.99Å; V398-S404 WeakPolarHBondContact CG1-O 3.46Å; V398-I405 HydrophobicContact CB-CD1 4.07Å; V398-I405 HydrophobicContact CB-CG1 4.05Å; V398-I405 HydrophobicContact CG1-CD1 4.26Å; V398-I405 HydrophobicContact CG1-CG1 3.68Å
399	W	98.6	Very high	97.5	Very high	28 Å²	28	8.1 Å²	8.1	11%	0.106	6%	0.059	C	C	.	.	H	α-helix	trans	-66.4	-43.8	-179.2	-82.5	114.3	0	0	0	113.8	K359 S360 G395 R397 C401 W485 Y486 I490	K359-W399 HydrophobicContact CB-CZ2 4.4Å; K359-W399 HydrophobicContact CD-CH2 3.87Å; K359-W399 HydrophobicContact CD-CZ2 4.2Å; K359-W399 HydrophobicContact CG-CH2 4.37Å; S360-W399 PolarHBondContact O-NE1 2.78Å; G395-W399 VanDerWaalsContact O-CD1 3.31Å; G395-W399 PolarHBondContact O-N 2.97Å; R397-W399 VanDerWaalsContact C-N 3.32Å; R397-W399 PolarHBondContact O-N 2.86Å; W399-C401 VanDerWaalsContact C-N 3.32Å; W399-W485 WeakPolarHBondContact O-CZ3 3.19Å; W399-Y486 HydrophobicContact CB-CD2 3.79Å; W399-Y486 HydrophobicContact CB-CE2 3.86Å; W399-Y486 AromaticContact CD1-CE2 3.86Å; W399-Y486 HydrophobicContact CG-CD2 4.39Å; W399-Y486 HydrophobicContact CG-CE2 4.07Å; W399-I490 HydrophobicContact CB-CG1 4.17Å; W399-I490 HydrophobicContact CB-CG2 4.48Å; W399-I490 HydrophobicContact CD2-CD1 3.69Å; W399-I490 HydrophobicContact CD2-CG1 3.9Å; W399-I490 HydrophobicContact CD2-CG2 3.8Å; W399-I490 HydrophobicContact CE3-CD1 3.31Å; W399-I490 HydrophobicContact CE3-CG1 3.94Å; W399-I490 HydrophobicContact CG-CB 4.49Å; W399-I490 HydrophobicContact CG-CD1 4.37Å; W399-I490 HydrophobicContact CG-CG1 4.05Å; W399-I490 HydrophobicContact CG-CG2 3.75Å; W399-I490 HydrophobicContact CH2-CD1 4.03Å; W399-I490 HydrophobicContact CZ2-CD1 4.4Å; W399-I490 HydrophobicContact CZ2-CG2 4.34Å; W399-I490 HydrophobicContact CZ3-CD1 3.5Å; W399-I490 VanDerWaalsContact CZ3-CD1 3.5Å
400	T	98.6	Very high	97.7	Very high	3 Å²	3	8.2 Å²	8.2	2%	0.018	6%	0.059	C	C	.	.	H	α-helix	trans	-73.7	-26.6	-178	55.2	0	0	0	0	112.3	I396 R397 C480 K481 Y486	I396-T400 HydrophobicContact CG2-CG2 4.1Å; I396-T400 WeakPolarHBondContact O-CB 3.28Å; I396-T400 VanDerWaalsContact O-CG2 3.27Å; I396-T400 WeakPolarHBondContact O-CG2 3.47Å; I396-T400 PolarHBondContact O-N 3.09Å; I396-T400 PolarHBondContact O-OG1 3.42Å; R397-T400 PolarHBondContact O-N 2.81Å; R397-T400 PolarHBondContact O-OG1 3.01Å; T400-C480 CarbonylContact O-C 3.59Å; T400-C480 VanDerWaalsContact O-CA 3.26Å; T400-C480 WeakPolarHBondContact O-CA 3.34Å; T400-K481 PolarHBondContact O-N 3.47Å; T400-Y486 HydrophobicContact CG2-CD2 4.37Å
401	C	98.1	Very high	97.9	Very high	21 Å²	21	8 Å²	8	14%	0.142	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	20.2	-177.7	-52.2	0	0	0	0	113.8	R397 W399 L478 C480	R397-C401 WeakPolarHBondContact O-CB 3.37Å; R397-C401 PolarHBondContact O-N 3.44Å; R397-C401 PolarHBondContact O-SG 2.77Å; W399-C401 VanDerWaalsContact C-N 3.32Å; C401-L478 HydrophobicContact CB-CB 4.42Å; C401-L478 HydrophobicContact CB-CD1 4.27Å; C401-C480 HydrophobicContact CB-CB 4.08Å; C401-C480 WeakPolarHBondContact CB-SG 3.28Å; C401-C480 WeakPolarHBondContact SG-CB 3.35Å; C401-C480 CovalentContact SG-SG 2.04Å; C401-C480 PolarHBondContact SG-SG 3.41Å
402	G	94.9	Very high	98	Very high	57 Å²	57	7.7 Å²	7.7	59%	0.588	6%	0.056	S	C	*	.	T	Hydrogen-bonded Turn	trans	94.5	7.1	166.2	0	0	0	0	0	116.7	V398	V398-G402 PolarHBondContact O-N 3.41Å
403	G	98.2	Very high	98.1	Very high	8 Å²	8	7.7 Å²	7.7	8%	0.082	6%	0.056	C	C	.	.			trans	-96.3	-170.4	168.2	0	0	0	0	0	112.8	T306 V398	T306-G403 WeakPolarHBondContact O-CA 3.22Å; V398-G403 CarbonylContact O-C 3.51Å; V398-G403 WeakPolarHBondContact O-CA 3.23Å; V398-G403 PolarHBondContact O-N 2.99Å
404	S	98.5	Very high	98.1	Very high	10 Å²	10	7.7 Å²	7.7	7%	0.07	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	160.8	175.1	89.8	0	0	0	0	112.3	T306 T307 V308 K359 V398	T306-S404 PolarHBondContact O-N 2.72Å; T307-S404 WeakPolarHBondContact CA-O 3.37Å; T307-S404 PolarHBondContact OG1-OG 3.42Å; V308-S404 PolarHBondContact N-O 3.42Å; K359-S404 PolarHBondContact NZ-OG 3.03Å; V398-S404 WeakPolarHBondContact CG1-O 3.46Å
405	I	98.8	Very high	98.1	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	134.2	177	-53.7	178.7	0	0	0	111.1	V308 K359 S360 S362 V398	V308-I405 HydrophobicContact CB-CG1 4.34Å; V308-I405 VanDerWaalsContact O-CA 3.28Å; V308-I405 WeakPolarHBondContact O-CA 3.41Å; K359-I405 WeakPolarHBondContact CA-O 3.31Å; S360-I405 PolarHBondContact N-O 3.49Å; S362-I405 WeakPolarHBondContact O-CG2 3.48Å; V398-I405 HydrophobicContact CB-CD1 4.07Å; V398-I405 HydrophobicContact CB-CG1 4.05Å; V398-I405 HydrophobicContact CG1-CD1 4.26Å; V398-I405 HydrophobicContact CG1-CG1 3.68Å
406	E	98.5	Very high	98	Very high	25 Å²	25	9.7 Å²	9.7	12%	0.117	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	139.5	179.3	-73	178.5	175.1	0	0	112.4	T307 V308 V309 S310 P357 G358 K359	T307-E406 HydrophobicContact CG2-CB 4.34Å; T307-E406 HydrophobicContact CG2-CG 4.17Å; V308-E406 PolarHBondContact O-N 3.35Å; V309-E406 CarbonylContact C-O 3.59Å; V309-E406 VanDerWaalsContact CA-O 3.29Å; V309-E406 WeakPolarHBondContact CA-O 3.23Å; V309-E406 HydrophobicContact CG1-CB 4.2Å; S310-E406 PolarHBondContact N-O 3.48Å; P357-E406 HydrophobicContact CB-CB 4.15Å; P357-E406 HydrophobicContact CB-CG 4.29Å; P357-E406 WeakPolarHBondContact CB-OE2 3.32Å; G358-E406 CarbonylContact O-C 3.58Å; G358-E406 WeakPolarHBondContact O-CA 3.49Å; K359-E406 HydrophobicContact CD-CG 3.7Å; K359-E406 WeakPolarHBondContact CE-OE1 3.4Å; K359-E406 IonicContact NZ-OE1 3.35Å; K359-E406 PolarHBondContact NZ-OE1 2.96Å
407	V	98.5	Very high	97.6	Very high	1 Å²	1	13.8 Å²	13.8	1%	0.006	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	128.5	161.7	176.1	0	0	0	0	107.5	S310 V312 F344 P357 G358 P409	S310-V407 CarbonylContact O-C 3.46Å; S310-V407 VanDerWaalsContact O-CA 3.3Å; S310-V407 WeakPolarHBondContact O-CA 3.4Å; V312-V407 HydrophobicContact CG2-CG1 3.67Å; F344-V407 HydrophobicContact CE1-CB 4.1Å; F344-V407 HydrophobicContact CZ-CB 4.02Å; F344-V407 HydrophobicContact CZ-CG1 4.25Å; P357-V407 CarbonylContact C-O 3.09Å; P357-V407 WeakPolarHBondContact CA-O 3.31Å; G358-V407 PolarHBondContact N-O 3Å; G358-V407 PolarHBondContact O-N 3.17Å; V407-P409 WeakPolarHBondContact O-CD 3.5Å
408	V	98.2	Very high	97.3	Very high	3 Å²	3	15.9 Å²	15.9	2%	0.018	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	101	-174.1	-177.4	0	0	0	0	109.8	P296 L297 Q300 V309 S310 P357 C410 S411	P296-V408 HydrophobicContact CB-CG1 3.73Å; L297-V408 HydrophobicContact CD2-CB 3.72Å; L297-V408 HydrophobicContact CD2-CG1 4.33Å; L297-V408 HydrophobicContact CD2-CG2 3.8Å; Q300-V408 HydrophobicContact CG-CG2 3.88Å; V309-V408 HydrophobicContact CB-CG2 3.96Å; V309-V408 HydrophobicContact CG1-CG2 4.08Å; S310-V408 PolarHBondContact O-N 2.89Å; P357-V408 HydrophobicContact CB-CG2 4.27Å; P357-V408 HydrophobicContact CG-CG2 4.37Å; V408-C410 PolarHBondContact O-N 3.33Å; V408-C410 VanDerWaalsContact O-N 3.12Å; V408-S411 PolarHBondContact O-N 2.83Å
409	P	97.3	Very high	97	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.1	-30	-172.7	-30.2	38.4	0	0	0	115.8	P328 S354 R356 V407 S411	P328-P409 HydrophobicContact CB-CB 4.07Å; P328-P409 HydrophobicContact CB-CG 3.93Å; P328-P409 HydrophobicContact CG-CB 3.72Å; P328-P409 HydrophobicContact CG-CG 4.12Å; S354-P409 WeakPolarHBondContact O-CB 3.29Å; S354-P409 WeakPolarHBondContact O-CG 3.1Å; R356-P409 WeakPolarHBondContact O-CD 3.35Å; R356-P409 WeakPolarHBondContact O-CG 3.27Å; V407-P409 WeakPolarHBondContact O-CD 3.5Å; P409-S411 VanDerWaalsContact C-N 3.26Å; P409-S411 PolarHBondContact O-N 3.16Å
410	C	97.8	Very high	96.6	Very high	3 Å²	3	22.8 Å²	22.8	2%	0.02	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	-10.2	-178.8	-59	0	0	0	0	114.3	C176 Y181 P296 S355 V408	C176-C410 WeakPolarHBondContact CA-SG 3.44Å; C176-C410 HydrophobicContact CB-CB 3.6Å; C176-C410 WeakPolarHBondContact CB-SG 3.5Å; C176-C410 WeakPolarHBondContact SG-CA 3.23Å; C176-C410 WeakPolarHBondContact SG-CB 3.38Å; C176-C410 CovalentContact SG-SG 2.04Å; C176-C410 PolarHBondContact SG-SG 3.04Å; Y181-C410 WeakPolarHBondContact OH-CB 3.46Å; P296-C410 HydrophobicContact CB-CB 4.12Å; P296-C410 HydrophobicContact CG-CB 4.12Å; S355-C410 VanDerWaalsContact CB-SG 3.51Å; S355-C410 PolarHBondContact O-SG 3.45Å; S355-C410 VanDerWaalsContact O-SG 3.36Å; V408-C410 PolarHBondContact O-N 3.33Å; V408-C410 VanDerWaalsContact O-N 3.12Å
411	S	98.2	Very high	95.9	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	124.5	170.8	-176.4	0	0	0	0	109.6	W293 L297 P311 V312 V408 P409	W293-S411 VanDerWaalsContact O-CB 3.28Å; W293-S411 WeakPolarHBondContact O-CB 3.43Å; W293-S411 PolarHBondContact O-OG 2.9Å; L297-S411 WeakPolarHBondContact CD1-OG 3.45Å; L297-S411 WeakPolarHBondContact CG-OG 3.46Å; P311-S411 WeakPolarHBondContact CB-O 3.15Å; P311-S411 WeakPolarHBondContact CB-OG 3.26Å; V312-S411 PolarHBondContact N-O 2.92Å; V408-S411 PolarHBondContact O-N 2.83Å; P409-S411 VanDerWaalsContact C-N 3.26Å; P409-S411 PolarHBondContact O-N 3.16Å
412	K	97.8	Very high	94.8	Very high	1 Å²	1	27.5 Å²	27.5	0%	0.004	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	134.8	-176	-72.6	-71.8	-167.5	165.1	0	110	R172 H290 V312 D314 Y326	R172-K412 HydrophobicContact CG-CG 3.83Å; H290-K412 HydrophobicContact CB-CB 3.82Å; H290-K412 WeakPolarHBondContact CB-O 3.07Å; H290-K412 PolarHBondContact CD2-O 3.21Å; H290-K412 PolarHBondContact N-O 3.05Å; V312-K412 HydrophobicContact CB-CD 3.93Å; V312-K412 HydrophobicContact CG1-CD 4.2Å; V312-K412 WeakPolarHBondContact O-CA 3.3Å; D314-K412 IonicContact OD1-NZ 3.87Å; D314-K412 PolarHBondContact OD1-NZ 2.86Å; D314-K412 IonicContact OD2-NZ 2.67Å; Y326-K412 PolarHBondContact O-NZ 3.31Å
413	I	98.4	Very high	93.8	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	126.2	170.7	-61.6	-172.9	0	0	0	107.7	L283 I287 V289 W293 P311 V312 F313 D314 I366	L283-I413 HydrophobicContact CD2-CD1 4.03Å; I287-I413 HydrophobicContact CB-CG2 3.73Å; I287-I413 HydrophobicContact CG1-CG2 4.45Å; I287-I413 HydrophobicContact CG2-CG2 3.99Å; V289-I413 HydrophobicContact CB-CG1 4.5Å; V289-I413 HydrophobicContact CG1-CD1 4Å; V289-I413 HydrophobicContact CG1-CG1 4.06Å; V289-I413 HydrophobicContact CG1-CG2 4.49Å; W293-I413 HydrophobicContact CE3-CD1 3.75Å; W293-I413 HydrophobicContact CE3-CG1 4.22Å; W293-I413 HydrophobicContact CZ3-CD1 3.94Å; P311-I413 HydrophobicContact CB-CD1 4.29Å; P311-I413 HydrophobicContact CB-CG1 4.05Å; P311-I413 HydrophobicContact CG-CB 4.36Å; P311-I413 HydrophobicContact CG-CD1 3.51Å; P311-I413 HydrophobicContact CG-CG1 3.76Å; V312-I413 PolarHBondContact O-N 3.23Å; V312-I413 VanDerWaalsContact O-N 3.1Å; F313-I413 CarbonylContact C-O 3.57Å; F313-I413 VanDerWaalsContact CA-O 3.27Å; F313-I413 WeakPolarHBondContact CA-O 3.3Å; D314-I413 PolarHBondContact N-O 3.26Å; I366-I413 HydrophobicContact CD1-CB 4.32Å; I366-I413 HydrophobicContact CD1-CD1 4.03Å; I366-I413 HydrophobicContact CD1-CG2 3.92Å; I366-I413 HydrophobicContact CG2-CD1 4.21Å
414	A	98.3	Very high	92.7	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	123.5	171	0	0	0	0	0	108.6	L168 I287 E288 D314 V316 V323	L168-A414 HydrophobicContact CD1-CB 4.29Å; I287-A414 CarbonylContact C-O 3.17Å; I287-A414 WeakPolarHBondContact CA-O 3.42Å; E288-A414 HydrophobicContact CB-CB 4.38Å; E288-A414 PolarHBondContact N-O 3.48Å; E288-A414 WeakPolarHBondContact O-CB 3.47Å; E288-A414 PolarHBondContact O-N 3.07Å; D314-A414 CarbonylContact O-C 3.51Å; D314-A414 WeakPolarHBondContact O-CA 3.18Å; V316-A414 HydrophobicContact CG2-CB 3.6Å; V323-A414 HydrophobicContact CG1-CB 4.12Å; V323-A414 HydrophobicContact CG2-CB 4.12Å
415	H	97.7	Very high	91.6	Very high	37 Å²	37	37 Å²	37	17%	0.171	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	133.7	-175.7	179.4	-78.1	0	0	0	110.4	D284 H286 I287 F313 D314 V316 E417	D284-H415 IonicContact OD2-CD2 3.75Å; D284-H415 IonicContact OD2-CE1 2.81Å; D284-H415 IonicContact OD2-NE2 3.91Å; D284-H415 PolarHBondContact OD2-NE2 2.95Å; H286-H415 AromaticContact CD2-CE1 3.65Å; H286-H415 AromaticContact CD2-NE2 3.55Å; H286-H415 AromaticContact NE2-CE1 3.62Å; H286-H415 AromaticContact NE2-NE2 3.47Å; H286-H415 PolarHBondContact NE2-NE2 2.77Å; I287-H415 HydrophobicContact CG2-CB 4.28Å; F313-H415 HydrophobicContact CB-CB 4.44Å; D314-H415 PolarHBondContact O-N 2.99Å; V316-H415 PolarHBondContact N-O 3.37Å; H415-E417 PolarHBondContact O-N 2.95Å
416	I	97.2	Very high	91	Very high	7 Å²	7	41.2 Å²	41.2	4%	0.036	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	113.6	179.4	-63.8	172.2	0	0	0	110.7	Y154 I201 H286 V316 L321 R418	Y154-I416 HydrophobicContact CD1-CG2 3.77Å; Y154-I416 HydrophobicContact CE1-CG2 4.37Å; Y154-I416 HydrophobicContact CG-CG2 3.88Å; I201-I416 HydrophobicContact CD1-CD1 3.52Å; I201-I416 HydrophobicContact CG1-CD1 4.34Å; I201-I416 HydrophobicContact CG2-CD1 4.29Å; H286-I416 HydrophobicContact CB-CB 4.25Å; H286-I416 HydrophobicContact CB-CD1 4.14Å; H286-I416 HydrophobicContact CB-CG1 4.48Å; H286-I416 PolarHBondContact O-N 2.91Å; H286-I416 VanDerWaalsContact O-N 3.13Å; V316-I416 HydrophobicContact CB-CB 4.43Å; V316-I416 HydrophobicContact CB-CG1 3.74Å; V316-I416 HydrophobicContact CG1-CG1 3.77Å; V316-I416 HydrophobicContact CG2-CG1 4.44Å; L321-I416 HydrophobicContact CD2-CD1 4.35Å; I416-R418 PolarHBondContact O-N 3.02Å; I416-R418 VanDerWaalsContact O-N 3.14Å
417	E	89.9	Confident	90.4	Very high	85 Å²	85	40.9 Å²	40.9	40%	0.397	21%	0.205	S	C	.	.			trans	-76.8	98.3	169.1	-177.9	176.5	-131.7	0	0	108.7	R315 V316 F318 H415	R315-E417 VanDerWaalsContact CD-OE2 3.23Å; R315-E417 WeakPolarHBondContact CD-OE2 3.4Å; R315-E417 HydrophobicContact CG-CB 4.07Å; R315-E417 IonicContact CZ-OE2 3.33Å; R315-E417 IonicContact NE-OE2 3.53Å; R315-E417 PolarHBondContact NE-OE2 2.99Å; R315-E417 IonicContact NH1-OE2 2.87Å; R315-E417 PolarHBondContact NH1-OE2 2.81Å; V316-E417 PolarHBondContact O-N 3.21Å; F318-E417 WeakPolarHBondContact CB-O 3.35Å; H415-E417 PolarHBondContact O-N 2.95Å
418	R	91.6	Very high	90	Very high	45 Å²	45	43.4 Å²	43.4	17%	0.17	22%	0.221	C	C	.	.			trans	-62.1	143.3	178.3	-54.7	-169.2	177.1	-119.3	-2.6	111.2	Y152 Y154 E197 H286 I416 H420	Y152-R418 PolarHBondContact O-NH1 3.05Å; Y154-R418 HydrophobicContact CD1-CG 3.98Å; Y154-R418 HydrophobicContact CE1-CG 4.26Å; Y154-R418 VanDerWaalsContact CE1-CZ 3.46Å; Y154-R418 VanDerWaalsContact CE1-NH1 3.31Å; E197-R418 IonicContact OE1-CZ 3.78Å; E197-R418 IonicContact OE1-NH1 3.82Å; E197-R418 IonicContact OE1-NH2 2.79Å; E197-R418 PolarHBondContact OE1-NH2 3.23Å; E197-R418 IonicContact OE2-NH2 2.71Å; E197-R418 PolarHBondContact OE2-NH2 2.85Å; H286-R418 PolarHBondContact CE1-NH2 2.79Å; H286-R418 PolarHBondContact ND1-NH2 2.76Å; H286-R418 VanDerWaalsContact ND1-NH2 3.12Å; I416-R418 PolarHBondContact O-N 3.02Å; I416-R418 VanDerWaalsContact O-N 3.14Å; R418-H420 WeakPolarHBondContact CB-O 3.48Å
419	F	92.8	Very high	89.7	Confident	108 Å²	108	47.3 Å²	47.3	47%	0.474	25%	0.246	S	C	.	.	S	Bend	trans	-68.7	-41.4	169.4	-173.8	-95.1	0	0	0	111.7	P128 F149 G153 F318	P128-F419 HydrophobicContact CB-CD2 4.19Å; P128-F419 HydrophobicContact CB-CE2 3.76Å; P128-F419 HydrophobicContact CB-CZ 4.01Å; P128-F419 HydrophobicContact CG-CD2 4.47Å; P128-F419 HydrophobicContact CG-CE1 3.92Å; P128-F419 HydrophobicContact CG-CE2 3.74Å; P128-F419 HydrophobicContact CG-CZ 3.43Å; P128-F419 VanDerWaalsContact CG-CZ 3.43Å; F149-F419 HydrophobicContact CE2-CB 3.84Å; F149-F419 HydrophobicContact CE2-CG 4.32Å; F149-F419 HydrophobicContact CZ-CB 3.83Å; F149-F419 AromaticContact CZ-CD1 3.8Å; F149-F419 HydrophobicContact CZ-CD1 3.8Å; F149-F419 AromaticContact CZ-CG 3.8Å; F149-F419 HydrophobicContact CZ-CG 3.8Å; G153-F419 WeakPolarHBondContact O-CB 3.44Å; G153-F419 PolarHBondContact O-N 3.35Å; F318-F419 HydrophobicContact CB-CB 4.48Å; F318-F419 HydrophobicContact CD1-CB 4.15Å; F318-F419 HydrophobicContact CD1-CD2 4.31Å; F318-F419 HydrophobicContact CD2-CB 4.05Å; F318-F419 HydrophobicContact CE1-CB 4.44Å; F318-F419 AromaticContact CE1-CD2 3.78Å; F318-F419 HydrophobicContact CE1-CD2 3.78Å; F318-F419 HydrophobicContact CE2-CB 4.34Å; F318-F419 HydrophobicContact CE2-CD2 4.11Å; F318-F419 HydrophobicContact CE2-CG 4.47Å; F318-F419 HydrophobicContact CG-CB 3.97Å; F318-F419 AromaticContact CZ-CD2 3.67Å; F318-F419 HydrophobicContact CZ-CD2 3.67Å; F318-F419 HydrophobicContact CZ-CE2 4.37Å; F318-F419 HydrophobicContact CZ-CG 4.44Å
420	H	88.8	Confident	89.5	Confident	64 Å²	64	47.7 Å²	47.7	30%	0.296	25%	0.249	S	C	.	.	S	Bend	trans	-143.2	160.5	173.8	64.1	-87.2	0	0	0	111.9	F149 E150 G153 R418	F149-H420 PolarHBondContact O-CE1 3.26Å; F149-H420 VanDerWaalsContact O-CE1 3.24Å; E150-H420 PolarHBondContact O-NE2 3.09Å; G153-H420 WeakPolarHBondContact CA-CE1 3.29Å; R418-H420 WeakPolarHBondContact CB-O 3.48Å
421	K	84.6	Confident	89.3	Confident	69 Å²	69	47.8 Å²	47.8	30%	0.3	25%	0.249	S	C	.	.			trans	-96.1	113.6	179.7	-68.2	178	173.1	-169.8	0	109.9	Y387 Y423 L427	Y387-K421 VanDerWaalsContact CZ-NZ 3.28Å; Y387-K421 PolarHBondContact OH-NZ 3.38Å; K421-Y423 VanDerWaalsContact C-N 3.34Å; K421-Y423 HydrophobicContact CB-CE1 4.19Å; K421-Y423 HydrophobicContact CB-CE2 4.19Å; K421-Y423 HydrophobicContact CD-CE2 4.3Å; K421-Y423 WeakPolarHBondContact CD-OH 3.4Å; K421-Y423 PolarHBondContact O-N 3.4Å; K421-L427 HydrophobicContact CD-CD1 3.52Å
422	P	75.8	Confident	89.2	Confident	54 Å²	54	50.2 Å²	50.2	35%	0.351	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-18.9	-169.8	29.6	-36.2	0	0	0	114.5	K151	K151-P422 WeakPolarHBondContact O-CB 3.38Å
423	Y	72.8	Confident	89.1	Confident	81 Å²	81	51.6 Å²	51.6	32%	0.318	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-17.8	-174.7	45.8	-98.3	0	0	0	114.4	K421 L427	K421-Y423 VanDerWaalsContact C-N 3.34Å; K421-Y423 HydrophobicContact CB-CE1 4.19Å; K421-Y423 HydrophobicContact CB-CE2 4.19Å; K421-Y423 HydrophobicContact CD-CE2 4.3Å; K421-Y423 WeakPolarHBondContact CD-OH 3.4Å; K421-Y423 PolarHBondContact O-N 3.4Å; Y423-L427 HydrophobicContact CE2-CD2 4.27Å
424	M	75.4	Confident	89.1	Confident	54 Å²	54	51.7 Å²	51.7	27%	0.266	27%	0.266	S	S	.	.			trans	-163	105.9	178.8	-173.4	166.5	-68.8	0	0	110.8	V386 D426 L427 A430	V386-M424 HydrophobicContact CB-CE 4.21Å; V386-M424 HydrophobicContact CG1-CE 3.7Å; V386-M424 HydrophobicContact CG1-SD 3.95Å; V386-M424 HydrophobicContact CG2-CE 3.62Å; V386-M424 HydrophobicContact CG2-SD 4.44Å; M424-D426 VanDerWaalsContact C-N 3.29Å; M424-D426 WeakPolarHBondContact CG-O 3.49Å; M424-D426 PolarHBondContact O-N 2.98Å; M424-D426 VanDerWaalsContact SD-O 3.4Å; M424-L427 HydrophobicContact CB-CD2 3.89Å; M424-L427 HydrophobicContact CG-CD2 4.06Å; M424-L427 HydrophobicContact SD-CD2 3.96Å; M424-A430 HydrophobicContact SD-CB 4.39Å
425	P	75.6	Confident	89.1	Confident	140 Å²	140	51.8 Å²	51.8	91%	0.909	27%	0.266	S	S	*	.	S	Bend	trans	-60.4	-34.3	179.2	-26.4	35.1	0	0	0	114
426	D	85.6	Confident	89.1	Confident	89 Å²	89	50.1 Å²	50.1	48%	0.476	26%	0.259	S	S	.	.			trans	-120.7	104.5	175.1	-178.9	20.5	0	0	0	111.6	M424 T428	M424-D426 VanDerWaalsContact C-N 3.29Å; M424-D426 WeakPolarHBondContact CG-O 3.49Å; M424-D426 PolarHBondContact O-N 2.98Å; M424-D426 VanDerWaalsContact SD-O 3.4Å; D426-T428 VanDerWaalsContact C-N 3.29Å; D426-T428 WeakPolarHBondContact OD1-CB 3.36Å; D426-T428 PolarHBondContact OD1-N 3.27Å; D426-T428 PolarHBondContact OD1-OG1 2.81Å
427	L	87.1	Confident	89.1	Confident	17 Å²	17	50 Å²	50	9%	0.089	26%	0.258	C	S	.	.			trans	-80.1	-9.6	177	-71.2	175.2	0	0	0	113.5	V386 Y387 K421 Y423 M424 A430 M431	V386-L427 HydrophobicContact CG1-CD2 4.39Å; Y387-L427 HydrophobicContact CD1-CD1 3.94Å; Y387-L427 HydrophobicContact CD1-CD2 4.48Å; Y387-L427 HydrophobicContact CE1-CD1 4.42Å; K421-L427 HydrophobicContact CD-CD1 3.52Å; Y423-L427 HydrophobicContact CE2-CD2 4.27Å; M424-L427 HydrophobicContact CB-CD2 3.89Å; M424-L427 HydrophobicContact CG-CD2 4.06Å; M424-L427 HydrophobicContact SD-CD2 3.96Å; L427-A430 PolarHBondContact O-N 3.5Å; L427-M431 HydrophobicContact CB-CG 4.25Å; L427-M431 HydrophobicContact CB-SD 4.32Å; L427-M431 WeakPolarHBondContact O-CB 3.47Å; L427-M431 PolarHBondContact O-N 3.3Å
428	T	89.4	Confident	89.5	Confident	55 Å²	55	46 Å²	46	34%	0.337	24%	0.239	S	C	.	.	H	α-helix	trans	-53.4	-46.5	-171.6	-57.8	0	0	0	0	113	D426 A430 K432 W454	D426-T428 VanDerWaalsContact C-N 3.29Å; D426-T428 WeakPolarHBondContact OD1-CB 3.36Å; D426-T428 PolarHBondContact OD1-N 3.27Å; D426-T428 PolarHBondContact OD1-OG1 2.81Å; T428-A430 PolarHBondContact O-N 3.42Å; T428-K432 WeakPolarHBondContact O-CB 3.35Å; T428-K432 PolarHBondContact O-N 3.11Å; T428-W454 HydrophobicContact CG2-CE3 4.32Å; T428-W454 HydrophobicContact CG2-CZ3 3.79Å
429	P	92.5	Very high	89.8	Confident	84 Å²	84	43.9 Å²	43.9	55%	0.545	23%	0.231	S	C	.	.	H	α-helix	trans	-64.3	-42.8	-179.4	-22.5	35.2	0	0	0	113	R433	P429-R433 WeakPolarHBondContact O-CB 3.32Å; P429-R433 PolarHBondContact O-N 3.2Å; P429-R433 VanDerWaalsContact O-N 3.07Å
430	A	92.7	Very high	90.1	Very high	9 Å²	9	41.4 Å²	41.4	7%	0.074	22%	0.221	C	C	.	.	H	α-helix	trans	-67.3	-46.7	179.7	0	0	0	0	0	111.3	V386 M424 L427 T428 R433 N434	V386-A430 HydrophobicContact CB-CB 4.06Å; V386-A430 HydrophobicContact CG2-CB 4.33Å; M424-A430 HydrophobicContact SD-CB 4.39Å; L427-A430 PolarHBondContact O-N 3.5Å; T428-A430 PolarHBondContact O-N 3.42Å; A430-R433 PolarHBondContact O-N 3.49Å; A430-N434 WeakPolarHBondContact O-CB 3.49Å; A430-N434 PolarHBondContact O-N 2.81Å; A430-N434 PolarHBondContact O-ND2 3.37Å
431	M	93.8	Very high	90.5	Very high	5 Å²	5	38.4 Å²	38.4	3%	0.025	21%	0.207	C	C	.	.	H	α-helix	trans	-65	-42.5	178.9	-75.1	-161.1	52.7	0	0	112.6	W338 L427 R433 N434 A435 W454	W338-M431 HydrophobicContact CD2-CE 3.47Å; W338-M431 VanDerWaalsContact CD2-CE 3.47Å; W338-M431 HydrophobicContact CD2-SD 4.29Å; W338-M431 HydrophobicContact CE3-CE 3.38Å; W338-M431 HydrophobicContact CE3-SD 3.77Å; W338-M431 HydrophobicContact CG-CE 4.31Å; W338-M431 HydrophobicContact CH2-CE 3.56Å; W338-M431 HydrophobicContact CH2-SD 3.03Å; W338-M431 WeakPolarHBondContact CH2-SD 3.47Å; W338-M431 HydrophobicContact CZ2-CE 3.6Å; W338-M431 HydrophobicContact CZ2-SD 3.6Å; W338-M431 VanDerWaalsContact CZ2-SD 3.6Å; W338-M431 HydrophobicContact CZ3-CE 3.44Å; W338-M431 VanDerWaalsContact CZ3-CE 3.44Å; W338-M431 HydrophobicContact CZ3-SD 3.12Å; W338-M431 WeakPolarHBondContact CZ3-SD 3.06Å; L427-M431 HydrophobicContact CB-CG 4.25Å; L427-M431 HydrophobicContact CB-SD 4.32Å; L427-M431 WeakPolarHBondContact O-CB 3.47Å; L427-M431 PolarHBondContact O-N 3.3Å; M431-R433 PolarHBondContact O-N 2.91Å; M431-N434 PolarHBondContact O-N 3.38Å; M431-A435 WeakPolarHBondContact O-CB 3.49Å; M431-A435 PolarHBondContact O-N 2.94Å; M431-W454 HydrophobicContact CB-CH2 3.87Å; M431-W454 HydrophobicContact CB-CZ2 3.9Å; M431-W454 HydrophobicContact CE-CZ2 4.37Å
432	K	95.5	Very high	91.2	Very high	51 Å²	51	35.2 Å²	35.2	22%	0.222	19%	0.193	C	C	.	.	H	α-helix	trans	-57.6	-48.8	174.5	-174.6	175.6	-65.2	-159.2	0	111.4	T428 A435 L436 W454 I456 I463	T428-K432 WeakPolarHBondContact O-CB 3.35Å; T428-K432 PolarHBondContact O-N 3.11Å; K432-A435 PolarHBondContact O-N 3Å; K432-L436 WeakPolarHBondContact O-CG 3.41Å; K432-L436 PolarHBondContact O-N 2.86Å; K432-L436 VanDerWaalsContact O-N 3.12Å; K432-W454 HydrophobicContact CB-CD2 4.25Å; K432-W454 HydrophobicContact CB-CE3 4.35Å; K432-W454 HydrophobicContact CG-CB 4.33Å; K432-W454 HydrophobicContact CG-CD2 4.33Å; K432-W454 HydrophobicContact CG-CG 4.23Å; K432-W454 PolarHBondContact NZ-O 3.5Å; K432-I456 HydrophobicContact CD-CD1 3.53Å; K432-I456 HydrophobicContact CD-CG1 4.05Å; K432-I456 HydrophobicContact CG-CD1 3.5Å; K432-I456 VanDerWaalsContact CG-CD1 3.5Å; K432-I456 HydrophobicContact CG-CG1 4.5Å; K432-I463 HydrophobicContact CD-CD1 3.68Å; K432-I463 HydrophobicContact CG-CD1 4.08Å
433	R	96.6	Very high	92.2	Very high	30 Å²	30	32.6 Å²	32.6	11%	0.113	18%	0.177	C	C	.	.	H	α-helix	trans	-62	-48.6	178.2	-176.8	-172.6	170.7	-82.3	2.4	111.9	G383 P429 A430 M431 A435 L436 R437 I463 D464 I465	G383-R433 PolarHBondContact O-NH1 3.27Å; G383-R433 PolarHBondContact O-NH2 2.88Å; P429-R433 WeakPolarHBondContact O-CB 3.32Å; P429-R433 PolarHBondContact O-N 3.2Å; P429-R433 VanDerWaalsContact O-N 3.07Å; A430-R433 PolarHBondContact O-N 3.49Å; M431-R433 PolarHBondContact O-N 2.91Å; R433-A435 VanDerWaalsContact C-N 3.35Å; R433-L436 PolarHBondContact O-N 3.03Å; R433-R437 PolarHBondContact O-N 3.18Å; R433-R437 VanDerWaalsContact O-N 3.12Å; R433-I463 HydrophobicContact CB-CG2 4.45Å; R433-D464 WeakPolarHBondContact CD-O 3.26Å; R433-D464 PolarHBondContact NE-O 3.04Å; R433-I465 PolarHBondContact NH2-O 3.4Å
434	N	97.4	Very high	93.4	Very high	2 Å²	2	31 Å²	31	1%	0.011	17%	0.173	C	C	.	.	H	α-helix	trans	-66.2	-38.9	-178.5	-65.1	-13.5	0	0	0	111.1	M384 K385 Y387 G388 A430 M431 L436 R437 V438	M384-N434 WeakPolarHBondContact CA-OD1 3.35Å; M384-N434 HydrophobicContact CG-CB 4.28Å; M384-N434 HydrophobicContact SD-CB 4.48Å; K385-N434 PolarHBondContact N-OD1 3.38Å; K385-N434 PolarHBondContact O-ND2 2.66Å; Y387-N434 PolarHBondContact O-ND2 3.17Å; G388-N434 WeakPolarHBondContact O-CB 3.45Å; G388-N434 PolarHBondContact O-ND2 3.19Å; A430-N434 WeakPolarHBondContact O-CB 3.49Å; A430-N434 PolarHBondContact O-N 2.81Å; A430-N434 PolarHBondContact O-ND2 3.37Å; M431-N434 PolarHBondContact O-N 3.38Å; N434-L436 VanDerWaalsContact C-N 3.34Å; N434-L436 PolarHBondContact O-N 2.68Å; N434-R437 WeakPolarHBondContact O-CB 3.34Å; N434-R437 PolarHBondContact O-N 3Å; N434-R437 VanDerWaalsContact O-N 3.12Å; N434-V438 WeakPolarHBondContact O-CG2 3.12Å; N434-V438 PolarHBondContact O-N 2.87Å
435	A	97.9	Very high	94.4	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.008	19%	0.186	C	C	.	.	H	α-helix	trans	-61.4	-41.3	175.9	0	0	0	0	0	112.4	L337 M431 K432 R433 R437 V438 A439 I450	L337-A435 HydrophobicContact CD1-CB 3.63Å; L337-A435 HydrophobicContact CG-CB 3.95Å; M431-A435 WeakPolarHBondContact O-CB 3.49Å; M431-A435 PolarHBondContact O-N 2.94Å; K432-A435 PolarHBondContact O-N 3Å; R433-A435 VanDerWaalsContact C-N 3.35Å; A435-R437 VanDerWaalsContact C-N 3.34Å; A435-R437 PolarHBondContact O-N 3Å; A435-V438 PolarHBondContact O-N 2.75Å; A435-A439 WeakPolarHBondContact O-CB 3.47Å; A435-A439 PolarHBondContact O-N 2.77Å; A435-I450 HydrophobicContact CB-CG2 3.83Å
436	L	97.9	Very high	95.5	Very high	3 Å²	3	28.3 Å²	28.3	2%	0.016	15%	0.147	C	C	.	.	H	α-helix	trans	-64.2	-36.2	173.8	-70.2	168.3	0	0	0	112.5	K432 R433 N434 A439 E440 I450 I456 I463 I465	K432-L436 WeakPolarHBondContact O-CG 3.41Å; K432-L436 PolarHBondContact O-N 2.86Å; K432-L436 VanDerWaalsContact O-N 3.12Å; R433-L436 PolarHBondContact O-N 3.03Å; N434-L436 VanDerWaalsContact C-N 3.34Å; N434-L436 PolarHBondContact O-N 2.68Å; L436-A439 WeakPolarHBondContact O-CB 3.47Å; L436-A439 PolarHBondContact O-N 3.44Å; L436-E440 WeakPolarHBondContact O-CG 3.05Å; L436-E440 PolarHBondContact O-N 3.42Å; L436-I450 HydrophobicContact CD2-CG2 4.11Å; L436-I450 HydrophobicContact CG-CG2 4.45Å; L436-I456 HydrophobicContact CD1-CD1 4.01Å; L436-I456 HydrophobicContact CD2-CD1 4.3Å; L436-I456 HydrophobicContact CG-CD1 4.36Å; L436-I463 HydrophobicContact CD1-CB 4.06Å; L436-I463 HydrophobicContact CD1-CD1 3.75Å; L436-I463 HydrophobicContact CD1-CG2 3.96Å; L436-I465 HydrophobicContact CB-CG2 3.56Å; L436-I465 HydrophobicContact CD1-CG2 4.2Å
437	R	98	Very high	96	Very high	5 Å²	5	27.7 Å²	27.7	2%	0.019	14%	0.14	C	C	.	.	H	α-helix	trans	-59.4	-48.7	171.2	-69.8	179.7	64.9	81.3	-1.4	111.2	D381 G383 R433 N434 A435 A439 E440 I441 I465 D467 I468	D381-R437 VanDerWaalsContact CG-NH2 3.3Å; D381-R437 IonicContact OD1-CZ 3.21Å; D381-R437 IonicContact OD1-NE 3.79Å; D381-R437 IonicContact OD1-NH2 2.97Å; D381-R437 PolarHBondContact OD1-NH2 3.3Å; D381-R437 IonicContact OD2-CZ 3.12Å; D381-R437 VanDerWaalsContact OD2-CZ 3.3Å; D381-R437 IonicContact OD2-NE 2.73Å; D381-R437 PolarHBondContact OD2-NE 3.11Å; D381-R437 IonicContact OD2-NH2 2.67Å; D381-R437 PolarHBondContact OD2-NH2 2.63Å; G383-R437 PolarHBondContact O-NE 3.22Å; R433-R437 PolarHBondContact O-N 3.18Å; R433-R437 VanDerWaalsContact O-N 3.12Å; N434-R437 WeakPolarHBondContact O-CB 3.34Å; N434-R437 PolarHBondContact O-N 3Å; N434-R437 VanDerWaalsContact O-N 3.12Å; A435-R437 VanDerWaalsContact C-N 3.34Å; A435-R437 PolarHBondContact O-N 3Å; R437-A439 VanDerWaalsContact C-N 3.29Å; R437-A439 PolarHBondContact O-N 2.97Å; R437-E440 PolarHBondContact O-N 3.24Å; R437-I441 VanDerWaalsContact O-CD1 3.28Å; R437-I441 WeakPolarHBondContact O-CD1 3.48Å; R437-I441 WeakPolarHBondContact O-CG1 3.36Å; R437-I441 PolarHBondContact O-N 3.2Å; R437-I441 VanDerWaalsContact O-N 3.14Å; R437-I465 VanDerWaalsContact CD-O 3.28Å; R437-I465 WeakPolarHBondContact CD-O 3.49Å; R437-I465 HydrophobicContact CG-CB 3.78Å; R437-I465 HydrophobicContact CG-CG2 4.48Å; R437-I465 WeakPolarHBondContact CG-O 3.36Å; R437-I465 PolarHBondContact NH1-O 3.32Å; R437-D467 PolarHBondContact NH1-O 3.41Å; R437-D467 PolarHBondContact NH2-O 3.01Å; R437-I468 HydrophobicContact CG-CG2 4.35Å
438	V	98.4	Very high	96.3	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-58.3	-45.4	176.9	-178.4	0	0	0	0	110.5	L337 M384 E393 I396 N434 A435 E440 I441 W442 M443	L337-V438 HydrophobicContact CD1-CB 3.87Å; L337-V438 HydrophobicContact CD1-CG1 4.11Å; L337-V438 HydrophobicContact CD1-CG2 4Å; M384-V438 HydrophobicContact CE-CG2 3.41Å; M384-V438 VanDerWaalsContact CE-CG2 3.41Å; E393-V438 HydrophobicContact CB-CG1 4.4Å; E393-V438 HydrophobicContact CB-CG2 3.71Å; E393-V438 HydrophobicContact CG-CG2 4.02Å; I396-V438 HydrophobicContact CD1-CG1 4.02Å; N434-V438 WeakPolarHBondContact O-CG2 3.12Å; N434-V438 PolarHBondContact O-N 2.87Å; A435-V438 PolarHBondContact O-N 2.75Å; V438-E440 PolarHBondContact O-N 3.27Å; V438-I441 PolarHBondContact O-N 3.49Å; V438-W442 HydrophobicContact CG1-CB 4.49Å; V438-W442 WeakPolarHBondContact O-CB 3.5Å; V438-W442 PolarHBondContact O-N 3.38Å; V438-M443 HydrophobicContact CG1-CE 4.17Å
439	A	98	Very high	96.7	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.008	13%	0.129	C	C	.	.	H	α-helix	trans	-56.5	-52.2	-179.9	0	0	0	0	0	111.7	A435 L436 R437 I441 M443 K447 I450	A435-A439 WeakPolarHBondContact O-CB 3.47Å; A435-A439 PolarHBondContact O-N 2.77Å; L436-A439 WeakPolarHBondContact O-CB 3.47Å; L436-A439 PolarHBondContact O-N 3.44Å; R437-A439 VanDerWaalsContact C-N 3.29Å; R437-A439 PolarHBondContact O-N 2.97Å; A439-I441 VanDerWaalsContact C-N 3.29Å; A439-I441 PolarHBondContact O-N 3.37Å; A439-M443 HydrophobicContact CB-SD 4.3Å; A439-M443 PolarHBondContact O-N 3.17Å; A439-M443 VanDerWaalsContact O-N 3.08Å; A439-K447 HydrophobicContact CB-CB 3.75Å; A439-I450 HydrophobicContact CB-CB 4.07Å; A439-I450 HydrophobicContact CB-CG1 3.61Å; A439-I450 HydrophobicContact CB-CG2 4.43Å
440	E	97.7	Very high	96.9	Very high	56 Å²	56	22.3 Å²	22.3	26%	0.262	10%	0.103	S	C	.	.	H	α-helix	trans	-69.6	-23.1	-176.3	-73.5	-62.3	155.6	0	0	114	L436 R437 V438 K447 I465 I468 K472	L436-E440 WeakPolarHBondContact O-CG 3.05Å; L436-E440 PolarHBondContact O-N 3.42Å; R437-E440 PolarHBondContact O-N 3.24Å; V438-E440 PolarHBondContact O-N 3.27Å; E440-K447 WeakPolarHBondContact OE1-CD 3.29Å; E440-K447 IonicContact OE1-NZ 3.86Å; E440-K447 PolarHBondContact OE1-NZ 3.22Å; E440-K447 IonicContact OE2-NZ 3.84Å; E440-K447 PolarHBondContact OE2-NZ 2.93Å; E440-I465 HydrophobicContact CB-CD1 4.1Å; E440-I465 HydrophobicContact CG-CD1 3.8Å; E440-I468 HydrophobicContact CB-CD1 3.55Å; E440-I468 HydrophobicContact CG-CD1 4.5Å; E440-K472 WeakPolarHBondContact O-CE 3.39Å; E440-K472 PolarHBondContact O-NZ 3.07Å
441	I	98.2	Very high	97	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.005	10%	0.102	C	C	.	.	H	α-helix	trans	-92.1	-42.6	179.4	-59.9	160.8	0	0	0	111.2	R437 V438 A439 I468 R471 R475	R437-I441 VanDerWaalsContact O-CD1 3.28Å; R437-I441 WeakPolarHBondContact O-CD1 3.48Å; R437-I441 WeakPolarHBondContact O-CG1 3.36Å; R437-I441 PolarHBondContact O-N 3.2Å; R437-I441 VanDerWaalsContact O-N 3.14Å; V438-I441 PolarHBondContact O-N 3.49Å; A439-I441 VanDerWaalsContact C-N 3.29Å; A439-I441 PolarHBondContact O-N 3.37Å; I441-I468 HydrophobicContact CD1-CB 4.06Å; I441-I468 HydrophobicContact CD1-CG2 3.91Å; I441-I468 HydrophobicContact CG1-CB 3.91Å; I441-I468 HydrophobicContact CG1-CD1 4.18Å; I441-I468 HydrophobicContact CG1-CG2 4.13Å; I441-R471 HydrophobicContact CD1-CB 3.57Å; I441-R471 HydrophobicContact CD1-CG 3.86Å; I441-R471 HydrophobicContact CG1-CB 4.01Å; I441-R471 HydrophobicContact CG2-CB 3.89Å; I441-R475 VanDerWaalsContact O-CD 3.23Å; I441-R475 WeakPolarHBondContact O-CD 3.45Å; I441-R475 PolarHBondContact O-NH1 3.36Å
442	W	98.4	Very high	97.1	Very high	1 Å²	1	22 Å²	22	0%	0.004	10%	0.101	C	C	.	.	H	α-helix	trans	-121.5	-17.2	-160.9	-64.6	107	0	0	0	115.7	E393 I396 R397 V438 R475 C480 F483	E393-W442 PolarHBondContact OE1-NE1 3.4Å; I396-W442 HydrophobicContact CG2-CB 3.89Å; I396-W442 HydrophobicContact CG2-CE3 4.39Å; I396-W442 HydrophobicContact CG2-CG 4.35Å; R397-W442 HydrophobicContact CB-CD2 4.43Å; R397-W442 HydrophobicContact CB-CE3 4.4Å; R397-W442 HydrophobicContact CB-CH2 3.73Å; R397-W442 HydrophobicContact CB-CZ2 3.74Å; R397-W442 HydrophobicContact CB-CZ3 4.04Å; R397-W442 VanDerWaalsContact CD-CZ2 3.42Å; R397-W442 HydrophobicContact CG-CH2 3.48Å; R397-W442 VanDerWaalsContact CG-CH2 3.48Å; R397-W442 HydrophobicContact CG-CZ2 3.72Å; R397-W442 HydrophobicContact CG-CZ3 4.14Å; V438-W442 HydrophobicContact CG1-CB 4.49Å; V438-W442 WeakPolarHBondContact O-CB 3.5Å; V438-W442 PolarHBondContact O-N 3.38Å; W442-R475 HydrophobicContact CE3-CG 4.24Å; W442-R475 HydrophobicContact CH2-CB 3.94Å; W442-R475 HydrophobicContact CH2-CG 4.05Å; W442-R475 HydrophobicContact CZ3-CB 4.12Å; W442-R475 HydrophobicContact CZ3-CG 3.69Å; W442-C480 HydrophobicContact CZ3-CB 4.24Å; W442-F483 VanDerWaalsContact O-CB 3.32Å; W442-F483 WeakPolarHBondContact O-CB 3.31Å; W442-F483 WeakPolarHBondContact O-CD2 3.36Å
443	M	98.2	Very high	97.1	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.101	C	C	.	.			trans	-102.1	2.9	-167.8	-63.3	-172.1	159.9	0	0	115.1	W335 L337 I396 V438 A439 E445 Y446 K447 I450 F483	W335-M443 HydrophobicContact CZ3-CE 4.49Å; W335-M443 HydrophobicContact CZ3-SD 4.23Å; L337-M443 HydrophobicContact CD2-CE 3.65Å; I396-M443 HydrophobicContact CD1-CE 3.74Å; V438-M443 HydrophobicContact CG1-CE 4.17Å; A439-M443 HydrophobicContact CB-SD 4.3Å; A439-M443 PolarHBondContact O-N 3.17Å; A439-M443 VanDerWaalsContact O-N 3.08Å; M443-E445 PolarHBondContact O-N 2.63Å; M443-Y446 WeakPolarHBondContact O-CA 3.41Å; M443-Y446 VanDerWaalsContact O-CB 3.29Å; M443-Y446 WeakPolarHBondContact O-CB 3.45Å; M443-Y446 WeakPolarHBondContact O-CD2 3.3Å; M443-Y446 PolarHBondContact O-N 2.9Å; M443-K447 HydrophobicContact CB-CB 4.36Å; M443-I450 HydrophobicContact CE-CD1 4.04Å; M443-I450 HydrophobicContact SD-CD1 3.67Å; M443-I450 HydrophobicContact SD-CG1 3.6Å; M443-F483 HydrophobicContact CB-CD1 4.19Å; M443-F483 HydrophobicContact CB-CE1 4.35Å; M443-F483 HydrophobicContact CB-CG 4.37Å; M443-F483 HydrophobicContact CE-CE2 4.46Å; M443-F483 HydrophobicContact CE-CZ 4.04Å; M443-F483 HydrophobicContact CG-CD1 4.4Å; M443-F483 HydrophobicContact CG-CD2 4.37Å; M443-F483 HydrophobicContact CG-CE1 4.18Å; M443-F483 HydrophobicContact CG-CE2 4.18Å; M443-F483 HydrophobicContact CG-CG 4.49Å; M443-F483 HydrophobicContact CG-CZ 4.08Å
444	D	97.9	Very high	97	Very high	47 Å²	47	21 Å²	21	25%	0.251	10%	0.101	S	C	.	.	G	3₁₀ helix	trans	48.9	-130.6	174.8	-56.8	-32.1	0	0	0	112.3	Y446 K447 R475 P482 F483	D444-Y446 PolarHBondContact O-N 3.18Å; D444-K447 WeakPolarHBondContact O-CG 3.49Å; D444-K447 PolarHBondContact O-N 3Å; D444-R475 IonicContact OD1-CZ 2.76Å; D444-R475 IonicContact OD1-NH1 3.48Å; D444-R475 PolarHBondContact OD1-NH1 3.31Å; D444-R475 IonicContact OD1-NH2 3.52Å; D444-R475 PolarHBondContact OD1-NH2 3.43Å; D444-R475 IonicContact OD2-CZ 3.01Å; D444-R475 IonicContact OD2-NH2 2.94Å; D444-R475 PolarHBondContact OD2-NH2 3.25Å; D444-P482 WeakPolarHBondContact OD2-CA 3.47Å; D444-F483 HydrophobicContact CB-CB 4.35Å; D444-F483 WeakPolarHBondContact OD2-CB 2.95Å; D444-F483 PolarHBondContact OD2-N 2.9Å
445	E	96.1	Very high	96.8	Very high	114 Å²	114	22.2 Å²	22.2	53%	0.533	11%	0.108	S	C	.	.	G	3₁₀ helix	trans	-65.3	-19	177	68.2	-87.3	-157.1	0	0	113.6	M443 K447 H448	M443-E445 PolarHBondContact O-N 2.63Å; E445-K447 VanDerWaalsContact C-N 3.29Å; E445-K447 PolarHBondContact O-N 2.93Å; E445-H448 PolarHBondContact O-CE1 2.86Å; E445-H448 VanDerWaalsContact O-CE1 3.23Å; E445-H448 PolarHBondContact O-ND1 3.46Å
446	Y	97.4	Very high	96.6	Very high	23 Å²	23	22.5 Å²	22.5	9%	0.09	11%	0.109	C	C	.	.	G	3₁₀ helix	trans	-82.7	-2.6	-177.1	-55.5	-92.6	0	0	0	113.8	M443 D444 H448 N449 F483 K484 L487 P496	M443-Y446 WeakPolarHBondContact O-CA 3.41Å; M443-Y446 VanDerWaalsContact O-CB 3.29Å; M443-Y446 WeakPolarHBondContact O-CB 3.45Å; M443-Y446 WeakPolarHBondContact O-CD2 3.3Å; M443-Y446 PolarHBondContact O-N 2.9Å; D444-Y446 PolarHBondContact O-N 3.18Å; Y446-H448 PolarHBondContact O-N 3.41Å; Y446-H448 VanDerWaalsContact O-N 3.08Å; Y446-N449 WeakPolarHBondContact O-CB 3.48Å; Y446-N449 PolarHBondContact O-N 2.93Å; Y446-F483 HydrophobicContact CD2-CB 4.37Å; Y446-F483 AromaticContact CD2-CD1 3.67Å; Y446-F483 HydrophobicContact CD2-CD1 3.67Å; Y446-F483 AromaticContact CG-CD1 3.87Å; Y446-F483 HydrophobicContact CG-CD1 3.87Å; Y446-F483 HydrophobicContact CG-CE1 4.34Å; Y446-K484 HydrophobicContact CE2-CB 3.95Å; Y446-L487 HydrophobicContact CD1-CD1 3.65Å; Y446-L487 HydrophobicContact CD2-CD1 4.22Å; Y446-L487 HydrophobicContact CE1-CD1 3.6Å; Y446-L487 HydrophobicContact CE2-CD1 4.19Å; Y446-L487 HydrophobicContact CG-CD1 3.98Å; Y446-P496 HydrophobicContact CD1-CB 3.96Å; Y446-P496 HydrophobicContact CD1-CG 4.1Å; Y446-P496 HydrophobicContact CE1-CB 4.02Å; Y446-P496 HydrophobicContact CE1-CG 3.94Å
447	K	96.1	Very high	96.3	Very high	76 Å²	76	25 Å²	25	33%	0.33	13%	0.126	S	C	.	.	G	3₁₀ helix	trans	-54.7	-29.3	179.5	65.8	-179.1	-174.9	162.5	0	113.8	A439 E440 M443 D444 E445 N449 I450 N451	A439-K447 HydrophobicContact CB-CB 3.75Å; E440-K447 WeakPolarHBondContact OE1-CD 3.29Å; E440-K447 IonicContact OE1-NZ 3.86Å; E440-K447 PolarHBondContact OE1-NZ 3.22Å; E440-K447 IonicContact OE2-NZ 3.84Å; E440-K447 PolarHBondContact OE2-NZ 2.93Å; M443-K447 HydrophobicContact CB-CB 4.36Å; D444-K447 WeakPolarHBondContact O-CG 3.49Å; D444-K447 PolarHBondContact O-N 3Å; E445-K447 VanDerWaalsContact C-N 3.29Å; E445-K447 PolarHBondContact O-N 2.93Å; K447-N449 PolarHBondContact O-N 3.25Å; K447-N449 VanDerWaalsContact O-N 3.15Å; K447-I450 WeakPolarHBondContact O-CB 3.4Å; K447-I450 PolarHBondContact O-N 3.48Å; K447-N451 PolarHBondContact O-OD1 3.05Å
448	H	95.1	Very high	96	Very high	43 Å²	43	28.1 Å²	28.1	20%	0.199	14%	0.14	C	C	.	.	H	α-helix	trans	-59.1	-24.8	176.6	66.3	-89.7	0	0	0	113.4	E445 Y446 I450 N451 L452 F458	E445-H448 PolarHBondContact O-CE1 2.86Å; E445-H448 VanDerWaalsContact O-CE1 3.23Å; E445-H448 PolarHBondContact O-ND1 3.46Å; Y446-H448 PolarHBondContact O-N 3.41Å; Y446-H448 VanDerWaalsContact O-N 3.08Å; H448-I450 VanDerWaalsContact C-N 3.28Å; H448-I450 PolarHBondContact O-N 3.27Å; H448-N451 WeakPolarHBondContact O-CB 3.26Å; H448-N451 PolarHBondContact O-N 3.43Å; H448-N451 VanDerWaalsContact O-N 3.15Å; H448-L452 WeakPolarHBondContact O-CG 3.24Å; H448-L452 PolarHBondContact O-N 2.67Å; H448-F458 HydrophobicContact CB-CD2 4.18Å; H448-F458 HydrophobicContact CB-CE1 4.15Å; H448-F458 HydrophobicContact CB-CE2 3.78Å; H448-F458 HydrophobicContact CB-CZ 3.77Å
449	N	96.9	Very high	95.6	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-66.1	-30.8	174.9	-67.9	-21.4	0	0	0	112.4	W335 Y446 K447 L452 A453 W497	W335-N449 HydrophobicContact CB-CB 4.41Å; W335-N449 HydrophobicContact CD2-CB 3.42Å; W335-N449 VanDerWaalsContact CD2-CB 3.42Å; W335-N449 HydrophobicContact CE3-CB 3.32Å; W335-N449 HydrophobicContact CG-CB 3.93Å; W335-N449 HydrophobicContact CH2-CB 4.07Å; W335-N449 WeakPolarHBondContact CH2-ND2 3.44Å; W335-N449 HydrophobicContact CZ2-CB 4.19Å; W335-N449 WeakPolarHBondContact CZ2-ND2 3.45Å; W335-N449 HydrophobicContact CZ3-CB 3.65Å; Y446-N449 WeakPolarHBondContact O-CB 3.48Å; Y446-N449 PolarHBondContact O-N 2.93Å; K447-N449 PolarHBondContact O-N 3.25Å; K447-N449 VanDerWaalsContact O-N 3.15Å; N449-L452 PolarHBondContact O-N 3.34Å; N449-A453 VanDerWaalsContact O-CB 3.31Å; N449-A453 WeakPolarHBondContact O-CB 3.45Å; N449-A453 PolarHBondContact O-N 3.25Å; N449-W497 HydrophobicContact CB-CE3 4.27Å; N449-W497 WeakPolarHBondContact O-CZ3 3.3Å; N449-W497 PolarHBondContact OD1-N 2.94Å
450	I	96.9	Very high	95.1	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-65.1	-45	171	-58.1	-53	0	0	0	109.9	W335 L337 A435 L436 A439 M443 K447 H448 L452 A453 W454	W335-I450 HydrophobicContact CE3-CD1 4.32Å; W335-I450 WeakPolarHBondContact O-CD1 3.5Å; L337-I450 HydrophobicContact CD1-CD1 4.43Å; L337-I450 HydrophobicContact CD2-CD1 3.69Å; L337-I450 HydrophobicContact CG-CD1 3.92Å; A435-I450 HydrophobicContact CB-CG2 3.83Å; L436-I450 HydrophobicContact CD2-CG2 4.11Å; L436-I450 HydrophobicContact CG-CG2 4.45Å; A439-I450 HydrophobicContact CB-CB 4.07Å; A439-I450 HydrophobicContact CB-CG1 3.61Å; A439-I450 HydrophobicContact CB-CG2 4.43Å; M443-I450 HydrophobicContact CE-CD1 4.04Å; M443-I450 HydrophobicContact SD-CD1 3.67Å; M443-I450 HydrophobicContact SD-CG1 3.6Å; K447-I450 WeakPolarHBondContact O-CB 3.4Å; K447-I450 PolarHBondContact O-N 3.48Å; H448-I450 VanDerWaalsContact C-N 3.28Å; H448-I450 PolarHBondContact O-N 3.27Å; I450-L452 VanDerWaalsContact C-N 3.32Å; I450-L452 PolarHBondContact O-N 3.42Å; I450-A453 PolarHBondContact O-N 3.42Å; I450-W454 VanDerWaalsContact O-CD1 3.31Å; I450-W454 PolarHBondContact O-N 2.76Å; I450-W454 VanDerWaalsContact O-N 3.08Å
451	N	95.2	Very high	94.8	Very high	7 Å²	7	43 Å²	43	4%	0.037	21%	0.214	C	C	.	.	H	α-helix	trans	-59.1	-44.3	176.6	-63.4	77.7	0	0	0	111.4	K447 H448 W454 N455 I456 P457 F458	K447-N451 PolarHBondContact O-OD1 3.05Å; H448-N451 WeakPolarHBondContact O-CB 3.26Å; H448-N451 PolarHBondContact O-N 3.43Å; H448-N451 VanDerWaalsContact O-N 3.15Å; N451-W454 PolarHBondContact O-N 3.36Å; N451-N455 WeakPolarHBondContact O-CA 3.45Å; N451-N455 PolarHBondContact O-N 3.42Å; N451-I456 HydrophobicContact CB-CB 4.45Å; N451-I456 WeakPolarHBondContact CB-O 3.38Å; N451-I456 PolarHBondContact O-N 3.29Å; N451-P457 PolarHBondContact ND2-O 3.23Å; N451-F458 HydrophobicContact CB-CD1 3.52Å; N451-F458 HydrophobicContact CB-CE1 3.77Å
452	L	95.5	Very high	94.6	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.005	25%	0.253	C	S	.	.	H	α-helix	trans	-62.3	-44.4	176	-70.4	168.9	0	0	0	112.6	H448 N449 I450 W454 N455 F458 W497 L500 Y503 Y539 I629	H448-L452 WeakPolarHBondContact O-CG 3.24Å; H448-L452 PolarHBondContact O-N 2.67Å; N449-L452 PolarHBondContact O-N 3.34Å; I450-L452 VanDerWaalsContact C-N 3.32Å; I450-L452 PolarHBondContact O-N 3.42Å; L452-W454 VanDerWaalsContact C-N 3.29Å; L452-W454 PolarHBondContact O-N 3.46Å; L452-N455 PolarHBondContact O-N 3.27Å; L452-F458 HydrophobicContact CD1-CZ 4.26Å; L452-F458 HydrophobicContact CD2-CE1 3.9Å; L452-F458 HydrophobicContact CD2-CZ 3.88Å; L452-F458 HydrophobicContact CG-CE1 3.83Å; L452-F458 HydrophobicContact CG-CZ 3.85Å; L452-W497 HydrophobicContact CB-CE3 3.67Å; L452-W497 HydrophobicContact CB-CZ3 3.79Å; L452-W497 HydrophobicContact CD1-CB 4.04Å; L452-W497 HydrophobicContact CD1-CE3 3.9Å; L452-W497 HydrophobicContact CG-CE3 4.45Å; L452-L500 HydrophobicContact CD1-CD1 3.63Å; L452-L500 HydrophobicContact CD2-CD1 3.88Å; L452-L500 HydrophobicContact CG-CD1 4.36Å; L452-Y503 HydrophobicContact CD2-CD1 3.48Å; L452-Y503 VanDerWaalsContact CD2-CD1 3.48Å; L452-Y503 HydrophobicContact CD2-CD2 3.86Å; L452-Y503 HydrophobicContact CD2-CE1 3.84Å; L452-Y503 HydrophobicContact CD2-CE2 4.17Å; L452-Y503 HydrophobicContact CD2-CG 3.5Å; L452-Y503 VanDerWaalsContact CD2-CG 3.5Å; L452-Y539 PolarHBondContact O-OH 3.44Å; L452-I629 HydrophobicContact CD2-CD1 4.1Å
453	A	95.1	Very high	94.4	Very high	28 Å²	28	49.1 Å²	49.1	23%	0.231	27%	0.265	C	S	.	.	H	α-helix	trans	-64.8	-35.5	-177.6	0	0	0	0	0	112.1	W335 A336 N449 I450 W497	W335-A453 HydrophobicContact CB-CB 3.99Å; W335-A453 WeakPolarHBondContact O-CB 3.39Å; A336-A453 HydrophobicContact CB-CB 4.02Å; N449-A453 VanDerWaalsContact O-CB 3.31Å; N449-A453 WeakPolarHBondContact O-CB 3.45Å; N449-A453 PolarHBondContact O-N 3.25Å; I450-A453 PolarHBondContact O-N 3.42Å; A453-W497 HydrophobicContact CB-CH2 4.02Å; A453-W497 HydrophobicContact CB-CZ3 3.9Å
454	W	93.8	Very high	94.3	Very high	31 Å²	31	55.1 Å²	55.1	12%	0.117	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	6.3	-179.3	-71.3	106.7	0	0	0	114.5	A336 W338 T428 M431 K432 I450 N451 L452 I456	A336-W454 HydrophobicContact CB-CZ2 4.1Å; A336-W454 VanDerWaalsContact O-CZ2 3.29Å; A336-W454 WeakPolarHBondContact O-CZ2 3.39Å; A336-W454 PolarHBondContact O-NE1 3.32Å; W338-W454 AromaticContact CZ2-CH2 3.89Å; W338-W454 HydrophobicContact CZ2-CH2 3.89Å; W338-W454 AromaticContact NE1-CH2 3.96Å; T428-W454 HydrophobicContact CG2-CE3 4.32Å; T428-W454 HydrophobicContact CG2-CZ3 3.79Å; M431-W454 HydrophobicContact CB-CH2 3.87Å; M431-W454 HydrophobicContact CB-CZ2 3.9Å; M431-W454 HydrophobicContact CE-CZ2 4.37Å; K432-W454 HydrophobicContact CB-CD2 4.25Å; K432-W454 HydrophobicContact CB-CE3 4.35Å; K432-W454 HydrophobicContact CG-CB 4.33Å; K432-W454 HydrophobicContact CG-CD2 4.33Å; K432-W454 HydrophobicContact CG-CG 4.23Å; K432-W454 PolarHBondContact NZ-O 3.5Å; I450-W454 VanDerWaalsContact O-CD1 3.31Å; I450-W454 PolarHBondContact O-N 2.76Å; I450-W454 VanDerWaalsContact O-N 3.08Å; N451-W454 PolarHBondContact O-N 3.36Å; L452-W454 VanDerWaalsContact C-N 3.29Å; L452-W454 PolarHBondContact O-N 3.46Å; W454-I456 HydrophobicContact CB-CD1 3.53Å; W454-I456 HydrophobicContact CB-CG1 3.64Å; W454-I456 HydrophobicContact CG-CD1 4.37Å; W454-I456 WeakPolarHBondContact O-CG1 3.25Å; W454-I456 PolarHBondContact O-N 3.35Å
455	N	93.8	Very high	94.3	Very high	29 Å²	29	54.2 Å²	54.2	16%	0.155	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	48.5	52.3	-173.8	-170.3	39.3	0	0	0	113.2	N451 L452 Y503 G504 M537 Q626 N627	N451-N455 WeakPolarHBondContact O-CA 3.45Å; N451-N455 PolarHBondContact O-N 3.42Å; L452-N455 PolarHBondContact O-N 3.27Å; N455-Y503 WeakPolarHBondContact OD1-CD2 3.48Å; N455-G504 VanDerWaalsContact OD1-CA 3.25Å; N455-G504 WeakPolarHBondContact OD1-CA 3.09Å; N455-M537 HydrophobicContact CB-CE 4.46Å; N455-M537 HydrophobicContact CB-SD 3.68Å; N455-M537 PolarHBondContact ND2-SD 3.14Å; N455-Q626 PolarHBondContact ND2-OE1 2.86Å; N455-N627 PolarHBondContact OD1-ND2 3.23Å
456	I	93.2	Very high	94.3	Very high	6 Å²	6	50 Å²	50	3%	0.031	28%	0.279	C	S	.	.			trans	-111.1	137.6	-178.9	-52.8	174.1	0	0	0	108.2	K432 L436 N451 W454 H461 I463 Y503	K432-I456 HydrophobicContact CD-CD1 3.53Å; K432-I456 HydrophobicContact CD-CG1 4.05Å; K432-I456 HydrophobicContact CG-CD1 3.5Å; K432-I456 VanDerWaalsContact CG-CD1 3.5Å; K432-I456 HydrophobicContact CG-CG1 4.5Å; L436-I456 HydrophobicContact CD1-CD1 4.01Å; L436-I456 HydrophobicContact CD2-CD1 4.3Å; L436-I456 HydrophobicContact CG-CD1 4.36Å; N451-I456 HydrophobicContact CB-CB 4.45Å; N451-I456 WeakPolarHBondContact CB-O 3.38Å; N451-I456 PolarHBondContact O-N 3.29Å; W454-I456 HydrophobicContact CB-CD1 3.53Å; W454-I456 HydrophobicContact CB-CG1 3.64Å; W454-I456 HydrophobicContact CG-CD1 4.37Å; W454-I456 WeakPolarHBondContact O-CG1 3.25Å; W454-I456 PolarHBondContact O-N 3.35Å; I456-H461 HydrophobicContact CG2-CB 3.21Å; I456-I463 HydrophobicContact CD1-CD1 3.91Å; I456-I463 HydrophobicContact CG2-CD1 4.21Å; I456-Y503 VanDerWaalsContact C-OH 3.31Å; I456-Y503 PolarHBondContact O-OH 2.82Å
457	P	92.3	Very high	94.3	Very high	56 Å²	56	54.2 Å²	54.2	36%	0.364	30%	0.303	S	S	.	.			trans	-51.8	148.4	168.2	-27.2	36.2	0	0	0	112.5	N451 E459 H461 Y503	N451-P457 PolarHBondContact ND2-O 3.23Å; P457-E459 VanDerWaalsContact C-N 3.26Å; P457-E459 WeakPolarHBondContact CB-O 3.47Å; P457-E459 PolarHBondContact O-N 2.98Å; P457-H461 HydrophobicContact CB-CB 4.44Å; P457-Y503 WeakPolarHBondContact CA-OH 3.27Å
458	F	92.1	Very high	94.4	Very high	71 Å²	71	51.5 Å²	51.5	31%	0.311	29%	0.292	S	S	.	.	S	Bend	trans	-69.9	-27.8	-178.8	-71.2	5.9	0	0	0	112.4	H448 N451 L452 Y503 I629	H448-F458 HydrophobicContact CB-CD2 4.18Å; H448-F458 HydrophobicContact CB-CE1 4.15Å; H448-F458 HydrophobicContact CB-CE2 3.78Å; H448-F458 HydrophobicContact CB-CZ 3.77Å; N451-F458 HydrophobicContact CB-CD1 3.52Å; N451-F458 HydrophobicContact CB-CE1 3.77Å; L452-F458 HydrophobicContact CD1-CZ 4.26Å; L452-F458 HydrophobicContact CD2-CE1 3.9Å; L452-F458 HydrophobicContact CD2-CZ 3.88Å; L452-F458 HydrophobicContact CG-CE1 3.83Å; L452-F458 HydrophobicContact CG-CZ 3.85Å; F458-Y503 HydrophobicContact CD1-CE1 4.29Å; F458-Y503 WeakPolarHBondContact CD1-OH 3.48Å; F458-Y503 AromaticContact CE1-CE1 3.77Å; F458-Y503 HydrophobicContact CE1-CE1 3.77Å; F458-Y503 AromaticContact CE1-CZ 3.79Å; F458-Y503 HydrophobicContact CZ-CE1 4.22Å; F458-I629 HydrophobicContact CD2-CG2 4.15Å; F458-I629 HydrophobicContact CE2-CB 4.32Å; F458-I629 HydrophobicContact CE2-CD1 4.13Å; F458-I629 HydrophobicContact CE2-CG1 3.91Å; F458-I629 HydrophobicContact CE2-CG2 3.53Å; F458-I629 HydrophobicContact CZ-CD1 3.82Å; F458-I629 HydrophobicContact CZ-CG1 3.89Å; F458-I629 HydrophobicContact CZ-CG2 4.31Å
459	E	88.8	Confident	94.5	Very high	153 Å²	153	52 Å²	52	72%	0.715	30%	0.3	S	S	*	.	S	Bend	trans	-131.4	158.6	178.8	-62.1	-177.6	177.8	0	0	110.1	P457 H461	P457-E459 VanDerWaalsContact C-N 3.26Å; P457-E459 WeakPolarHBondContact CB-O 3.47Å; P457-E459 PolarHBondContact O-N 2.98Å; E459-H461 PolarHBondContact O-N 3.08Å
460	N	88.9	Confident	94.5	Very high	159 Å²	159	57 Å²	57	85%	0.85	32%	0.324	S	S	*	.			trans	54.2	29.4	171.6	-56.6	-46.5	0	0	0	115.2	G462	N460-G462 PolarHBondContact O-N 3.16Å
461	H	91.1	Very high	94.6	Very high	56 Å²	56	58.2 Å²	58.2	26%	0.259	33%	0.329	S	S	.	.			trans	-75.3	-4.7	-178.5	59.2	69.4	0	0	0	114.8	I456 P457 E459 I463	I456-H461 HydrophobicContact CG2-CB 3.21Å; P457-H461 HydrophobicContact CB-CB 4.44Å; E459-H461 PolarHBondContact O-N 3.08Å; H461-I463 VanDerWaalsContact C-N 3.29Å; H461-I463 WeakPolarHBondContact ND1-CB 3.38Å; H461-I463 PolarHBondContact ND1-N 3.15Å; H461-I463 PolarHBondContact O-N 2.99Å
462	G	93.3	Very high	94.7	Very high	80 Å²	80	61.7 Å²	61.7	83%	0.825	34%	0.344	S	S	*	.			trans	70	15.2	171.4	0	0	0	0	0	116.2	N460	N460-G462 PolarHBondContact O-N 3.16Å
463	I	95.8	Very high	94.9	Very high	52 Å²	52	66.7 Å²	66.7	27%	0.267	37%	0.365	S	S	.	.			trans	-95.5	116.8	179.4	-59.4	165.6	0	0	0	108.6	K432 R433 L436 I456 H461 I465	K432-I463 HydrophobicContact CD-CD1 3.68Å; K432-I463 HydrophobicContact CG-CD1 4.08Å; R433-I463 HydrophobicContact CB-CG2 4.45Å; L436-I463 HydrophobicContact CD1-CB 4.06Å; L436-I463 HydrophobicContact CD1-CD1 3.75Å; L436-I463 HydrophobicContact CD1-CG2 3.96Å; I456-I463 HydrophobicContact CD1-CD1 3.91Å; I456-I463 HydrophobicContact CG2-CD1 4.21Å; H461-I463 VanDerWaalsContact C-N 3.29Å; H461-I463 WeakPolarHBondContact ND1-CB 3.38Å; H461-I463 PolarHBondContact ND1-N 3.15Å; H461-I463 PolarHBondContact O-N 2.99Å; I463-I465 HydrophobicContact CG2-CG2 4.45Å; I463-I465 PolarHBondContact O-N 2.98Å
464	D	96	Very high	95	Very high	126 Å²	126	66.1 Å²	66.1	67%	0.674	36%	0.358	S	S	*	.			trans	-76.7	106.4	174.6	177.1	24.8	0	0	0	111.3	R433 G466	R433-D464 WeakPolarHBondContact CD-O 3.26Å; R433-D464 PolarHBondContact NE-O 3.04Å; D464-G466 VanDerWaalsContact C-N 3.31Å; D464-G466 WeakPolarHBondContact OD1-CA 3.2Å; D464-G466 PolarHBondContact OD1-N 2.87Å
465	I	96.3	Very high	95.2	Very high	27 Å²	27	66.5 Å²	66.5	14%	0.138	36%	0.36	C	S	.	.			trans	-84.8	-4.2	176.2	64.5	165.4	0	0	0	112.8	R433 L436 R437 E440 I463 I468	R433-I465 PolarHBondContact NH2-O 3.4Å; L436-I465 HydrophobicContact CB-CG2 3.56Å; L436-I465 HydrophobicContact CD1-CG2 4.2Å; R437-I465 VanDerWaalsContact CD-O 3.28Å; R437-I465 WeakPolarHBondContact CD-O 3.49Å; R437-I465 HydrophobicContact CG-CB 3.78Å; R437-I465 HydrophobicContact CG-CG2 4.48Å; R437-I465 WeakPolarHBondContact CG-O 3.36Å; R437-I465 PolarHBondContact NH1-O 3.32Å; E440-I465 HydrophobicContact CB-CD1 4.1Å; E440-I465 HydrophobicContact CG-CD1 3.8Å; I463-I465 HydrophobicContact CG2-CG2 4.45Å; I463-I465 PolarHBondContact O-N 2.98Å; I465-I468 HydrophobicContact CD1-CD1 4.11Å; I465-I468 HydrophobicContact CD1-CG2 4.37Å
466	G	96.5	Very high	95.5	Very high	26 Å²	26	72 Å²	72	27%	0.268	38%	0.384	S	S	.	.			trans	70	179.9	-174.1	0	0	0	0	0	113.6	D464	D464-G466 VanDerWaalsContact C-N 3.31Å; D464-G466 WeakPolarHBondContact OD1-CA 3.2Å; D464-G466 PolarHBondContact OD1-N 2.87Å
467	D	97.2	Very high	95.7	Very high	111 Å²	111	80.1 Å²	80.1	59%	0.594	42%	0.415	S	S	*	.			trans	-67.4	136.4	178.4	-174.6	22.8	0	0	0	111.8	R437 S469	R437-D467 PolarHBondContact NH1-O 3.41Å; R437-D467 PolarHBondContact NH2-O 3.01Å; D467-S469 WeakPolarHBondContact OD1-CB 3.45Å; D467-S469 PolarHBondContact OD1-N 3.24Å; D467-S469 PolarHBondContact OD1-OG 3.48Å
468	I	97.9	Very high	96	Very high	19 Å²	19	80.1 Å²	80.1	10%	0.097	41%	0.411	C	S	.	.			trans	-126.8	6.2	178.3	61.1	175.5	0	0	0	112.1	R437 E440 I441 I465 E470 R471 K472	R437-I468 HydrophobicContact CG-CG2 4.35Å; E440-I468 HydrophobicContact CB-CD1 3.55Å; E440-I468 HydrophobicContact CG-CD1 4.5Å; I441-I468 HydrophobicContact CD1-CB 4.06Å; I441-I468 HydrophobicContact CD1-CG2 3.91Å; I441-I468 HydrophobicContact CG1-CB 3.91Å; I441-I468 HydrophobicContact CG1-CD1 4.18Å; I441-I468 HydrophobicContact CG1-CG2 4.13Å; I465-I468 HydrophobicContact CD1-CD1 4.11Å; I465-I468 HydrophobicContact CD1-CG2 4.37Å; I468-E470 PolarHBondContact O-N 2.98Å; I468-R471 PolarHBondContact O-N 2.8Å; I468-R471 VanDerWaalsContact O-N 3.11Å; I468-K472 HydrophobicContact CD1-CD 4.26Å; I468-K472 VanDerWaalsContact CD1-CE 3.49Å; I468-K472 HydrophobicContact CG1-CD 4.34Å; I468-K472 PolarHBondContact O-N 3.49Å
469	S	98.2	Very high	96.3	Very high	53 Å²	53	83.6 Å²	83.6	37%	0.371	43%	0.433	S	S	.	.	H	α-helix	trans	-58.2	-45.3	-173.1	-59.1	0	0	0	0	112.2	D467 R471 K472 K473	D467-S469 WeakPolarHBondContact OD1-CB 3.45Å; D467-S469 PolarHBondContact OD1-N 3.24Å; D467-S469 PolarHBondContact OD1-OG 3.48Å; S469-R471 VanDerWaalsContact C-N 3.32Å; S469-R471 PolarHBondContact O-N 3.12Å; S469-K472 PolarHBondContact O-N 3.12Å; S469-K473 WeakPolarHBondContact O-CG 3.38Å; S469-K473 PolarHBondContact O-N 2.47Å
470	E	97.4	Very high	96.7	Very high	107 Å²	107	77.1 Å²	77.1	50%	0.5	41%	0.405	S	S	.	.	H	α-helix	trans	-67	-32.5	178.8	-68.4	-54.1	117.9	0	0	112.9	I468 K473 L474	I468-E470 PolarHBondContact O-N 2.98Å; E470-K473 WeakPolarHBondContact OE1-CD 3Å; E470-K473 IonicContact OE1-NZ 3.95Å; E470-K473 PolarHBondContact OE1-NZ 3.38Å; E470-L474 VanDerWaalsContact O-CB 3.31Å; E470-L474 WeakPolarHBondContact O-CB 3.2Å; E470-L474 PolarHBondContact O-N 3.49Å
471	R	98	Very high	97.2	Very high	24 Å²	24	73.9 Å²	73.9	9%	0.091	38%	0.383	C	S	.	.	H	α-helix	trans	-69.5	-39.8	175.1	-58.2	-58.8	-65.8	178.2	-5.3	111.5	G378 E393 I441 I468 S469 L474 R475	G378-R471 PolarHBondContact O-NH1 2.81Å; E393-R471 IonicContact OE1-CZ 2.6Å; E393-R471 IonicContact OE1-NE 3.24Å; E393-R471 IonicContact OE1-NH2 3.95Å; E393-R471 PolarHBondContact OE1-NH2 2.93Å; E393-R471 IonicContact OE2-NH2 2.76Å; I441-R471 HydrophobicContact CD1-CB 3.57Å; I441-R471 HydrophobicContact CD1-CG 3.86Å; I441-R471 HydrophobicContact CG1-CB 4.01Å; I441-R471 HydrophobicContact CG2-CB 3.89Å; I468-R471 PolarHBondContact O-N 2.8Å; I468-R471 VanDerWaalsContact O-N 3.11Å; S469-R471 VanDerWaalsContact C-N 3.32Å; S469-R471 PolarHBondContact O-N 3.12Å; R471-L474 WeakPolarHBondContact O-CB 3.4Å; R471-L474 PolarHBondContact O-N 3.44Å; R471-R475 PolarHBondContact O-N 3.41Å; R471-R475 VanDerWaalsContact O-N 3.07Å
472	K	98.4	Very high	97.6	Very high	81 Å²	81	74.6 Å²	74.6	35%	0.352	39%	0.393	S	S	.	.	H	α-helix	trans	-64.1	-47.7	173.9	-72.6	-174.6	169.1	179.8	0	111.7	E440 I468 S469 L474 R475 E476	E440-K472 WeakPolarHBondContact O-CE 3.39Å; E440-K472 PolarHBondContact O-NZ 3.07Å; I468-K472 HydrophobicContact CD1-CD 4.26Å; I468-K472 VanDerWaalsContact CD1-CE 3.49Å; I468-K472 HydrophobicContact CG1-CD 4.34Å; I468-K472 PolarHBondContact O-N 3.49Å; S469-K472 PolarHBondContact O-N 3.12Å; K472-L474 VanDerWaalsContact C-N 3.29Å; K472-L474 PolarHBondContact O-N 3.05Å; K472-R475 WeakPolarHBondContact O-CB 3.45Å; K472-R475 PolarHBondContact O-N 3.12Å; K472-R475 VanDerWaalsContact O-N 3.14Å; K472-E476 WeakPolarHBondContact O-CG 3.45Å; K472-E476 PolarHBondContact O-N 3.43Å
473	K	98.5	Very high	97.8	Very high	105 Å²	105	70.8 Å²	70.8	46%	0.457	35%	0.353	S	S	.	.	H	α-helix	trans	-60.3	-36.9	175	-70.6	176.3	-168.3	165.5	0	112.8	S469 E470 R477	S469-K473 WeakPolarHBondContact O-CG 3.38Å; S469-K473 PolarHBondContact O-N 2.47Å; E470-K473 WeakPolarHBondContact OE1-CD 3Å; E470-K473 IonicContact OE1-NZ 3.95Å; E470-K473 PolarHBondContact OE1-NZ 3.38Å; K473-R477 VanDerWaalsContact O-CB 3.25Å; K473-R477 WeakPolarHBondContact O-CB 3.28Å; K473-R477 PolarHBondContact O-N 2.9Å
474	L	98.2	Very high	97.9	Very high	17 Å²	17	72.8 Å²	72.8	9%	0.089	36%	0.36	C	S	.	.	H	α-helix	trans	-61.9	-48.7	174.5	177.1	68.6	0	0	0	110.9	E470 R471 K472 E476 R477 L478	E470-L474 VanDerWaalsContact O-CB 3.31Å; E470-L474 WeakPolarHBondContact O-CB 3.2Å; E470-L474 PolarHBondContact O-N 3.49Å; R471-L474 WeakPolarHBondContact O-CB 3.4Å; R471-L474 PolarHBondContact O-N 3.44Å; K472-L474 VanDerWaalsContact C-N 3.29Å; K472-L474 PolarHBondContact O-N 3.05Å; L474-E476 VanDerWaalsContact C-N 3.31Å; L474-E476 PolarHBondContact O-N 2.91Å; L474-R477 PolarHBondContact O-N 3.39Å; L474-L478 HydrophobicContact CD1-CD1 3.79Å; L474-L478 HydrophobicContact CD1-CG 4.16Å; L474-L478 HydrophobicContact CG-CD1 3.98Å; L474-L478 WeakPolarHBondContact O-CG 3.34Å; L474-L478 PolarHBondContact O-N 3.29Å
475	R	98.4	Very high	98	Very high	38 Å²	38	70.1 Å²	70.1	14%	0.143	34%	0.341	C	S	.	.	H	α-helix	trans	-57	-44	177.3	-177.6	179.8	177	-162	-5.4	112	I441 W442 D444 R471 K472 N479 C480	I441-R475 VanDerWaalsContact O-CD 3.23Å; I441-R475 WeakPolarHBondContact O-CD 3.45Å; I441-R475 PolarHBondContact O-NH1 3.36Å; W442-R475 HydrophobicContact CE3-CG 4.24Å; W442-R475 HydrophobicContact CH2-CB 3.94Å; W442-R475 HydrophobicContact CH2-CG 4.05Å; W442-R475 HydrophobicContact CZ3-CB 4.12Å; W442-R475 HydrophobicContact CZ3-CG 3.69Å; D444-R475 IonicContact OD1-CZ 2.76Å; D444-R475 IonicContact OD1-NH1 3.48Å; D444-R475 PolarHBondContact OD1-NH1 3.31Å; D444-R475 IonicContact OD1-NH2 3.52Å; D444-R475 PolarHBondContact OD1-NH2 3.43Å; D444-R475 IonicContact OD2-CZ 3.01Å; D444-R475 IonicContact OD2-NH2 2.94Å; D444-R475 PolarHBondContact OD2-NH2 3.25Å; R471-R475 PolarHBondContact O-N 3.41Å; R471-R475 VanDerWaalsContact O-N 3.07Å; K472-R475 WeakPolarHBondContact O-CB 3.45Å; K472-R475 PolarHBondContact O-N 3.12Å; K472-R475 VanDerWaalsContact O-N 3.14Å; R475-N479 PolarHBondContact O-N 2.96Å; R475-C480 HydrophobicContact CG-CB 3.94Å; R475-C480 PolarHBondContact O-N 2.91Å; R475-C480 PolarHBondContact O-SG 3.4Å
476	E	98.3	Very high	98.2	Very high	144 Å²	144	68.9 Å²	68.9	67%	0.673	33%	0.334	S	S	*	.	H	α-helix	trans	-63.4	-48.8	176.3	-70.5	168.2	-170.8	0	0	111.9	K472 L474 L478 N479	K472-E476 WeakPolarHBondContact O-CG 3.45Å; K472-E476 PolarHBondContact O-N 3.43Å; L474-E476 VanDerWaalsContact C-N 3.31Å; L474-E476 PolarHBondContact O-N 2.91Å; E476-L478 VanDerWaalsContact C-N 3.3Å; E476-L478 PolarHBondContact O-N 2.82Å; E476-N479 PolarHBondContact O-N 3.48Å
477	R	98.3	Very high	98.2	Very high	177 Å²	177	68 Å²	68	67%	0.668	32%	0.324	S	S	*	.	H	α-helix	trans	-61.1	-37	-178.3	-169.2	-166.7	-32.7	-170.6	7.1	113.1	K473 L474 N479	K473-R477 VanDerWaalsContact O-CB 3.25Å; K473-R477 WeakPolarHBondContact O-CB 3.28Å; K473-R477 PolarHBondContact O-N 2.9Å; L474-R477 PolarHBondContact O-N 3.39Å; R477-N479 PolarHBondContact O-N 2.99Å
478	L	98.3	Very high	98.3	Very high	56 Å²	56	67.1 Å²	67.1	29%	0.293	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-2.4	177.8	-66	176.5	0	0	0	112.8	I377 C401 L474 E476 C480	I377-L478 HydrophobicContact CB-CD1 4.4Å; I377-L478 HydrophobicContact CG2-CD1 4.39Å; C401-L478 HydrophobicContact CB-CB 4.42Å; C401-L478 HydrophobicContact CB-CD1 4.27Å; L474-L478 HydrophobicContact CD1-CD1 3.79Å; L474-L478 HydrophobicContact CD1-CG 4.16Å; L474-L478 HydrophobicContact CG-CD1 3.98Å; L474-L478 WeakPolarHBondContact O-CG 3.34Å; L474-L478 PolarHBondContact O-N 3.29Å; E476-L478 VanDerWaalsContact C-N 3.3Å; E476-L478 PolarHBondContact O-N 2.82Å; L478-C480 WeakPolarHBondContact CB-SG 3.2Å; L478-C480 PolarHBondContact O-N 2.85Å
479	N	98.1	Very high	98.2	Very high	145 Å²	145	70.7 Å²	70.7	78%	0.775	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.5	45.5	-177.3	-168	35.6	0	0	0	112.2	R475 E476 R477	R475-N479 PolarHBondContact O-N 2.96Å; E476-N479 PolarHBondContact O-N 3.48Å; R477-N479 PolarHBondContact O-N 2.99Å
480	C	98.6	Very high	98.2	Very high	17 Å²	17	69.7 Å²	69.7	12%	0.115	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-67.6	145.6	-175.3	-50.2	0	0	0	0	111.3	T400 C401 W442 R475 L478	T400-C480 CarbonylContact O-C 3.59Å; T400-C480 VanDerWaalsContact O-CA 3.26Å; T400-C480 WeakPolarHBondContact O-CA 3.34Å; C401-C480 HydrophobicContact CB-CB 4.08Å; C401-C480 WeakPolarHBondContact CB-SG 3.28Å; C401-C480 WeakPolarHBondContact SG-CB 3.35Å; C401-C480 CovalentContact SG-SG 2.04Å; C401-C480 PolarHBondContact SG-SG 3.41Å; W442-C480 HydrophobicContact CZ3-CB 4.24Å; R475-C480 HydrophobicContact CG-CB 3.94Å; R475-C480 PolarHBondContact O-N 2.91Å; R475-C480 PolarHBondContact O-SG 3.4Å; L478-C480 WeakPolarHBondContact CB-SG 3.2Å; L478-C480 PolarHBondContact O-N 2.85Å
481	K	98.7	Very high	98.2	Very high	90 Å²	90	64.7 Å²	64.7	39%	0.391	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-63.5	152.8	179.5	-59.9	-177.7	-169.5	-61.2	0	111.6	T400 W485	T400-K481 PolarHBondContact O-N 3.47Å; K481-W485 HydrophobicContact CB-CB 4.21Å; K481-W485 HydrophobicContact CB-CD2 4.02Å; K481-W485 HydrophobicContact CB-CE3 3.89Å; K481-W485 HydrophobicContact CB-CG 4.15Å; K481-W485 HydrophobicContact CD-CD2 3.28Å; K481-W485 HydrophobicContact CD-CE3 3.49Å; K481-W485 VanDerWaalsContact CD-CE3 3.49Å; K481-W485 HydrophobicContact CD-CG 3.85Å; K481-W485 HydrophobicContact CD-CH2 3.8Å; K481-W485 HydrophobicContact CD-CZ2 3.61Å; K481-W485 HydrophobicContact CD-CZ3 3.75Å; K481-W485 HydrophobicContact CG-CD2 4.27Å; K481-W485 HydrophobicContact CG-CE3 4.32Å
482	P	98.5	Very high	98.2	Very high	72 Å²	72	66.6 Å²	66.6	47%	0.468	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-66.7	155.4	175.4	28.3	-35.2	0	0	0	111.7	D444 K484 W485 Y486	D444-P482 WeakPolarHBondContact OD2-CA 3.47Å; P482-K484 PolarHBondContact O-N 2.98Å; P482-W485 HydrophobicContact CG-CB 4.21Å; P482-W485 VanDerWaalsContact O-CB 3.31Å; P482-W485 WeakPolarHBondContact O-CB 3.2Å; P482-W485 PolarHBondContact O-N 2.84Å; P482-Y486 PolarHBondContact O-N 3.28Å
483	F	98.6	Very high	98.1	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-61.7	-32	-179.5	-165.9	-116.1	0	0	0	112.8	W335 I396 W442 M443 D444 Y446 W485 Y486 L487	W335-F483 AromaticContact CH2-CE1 3.82Å; W335-F483 HydrophobicContact CH2-CE1 3.82Å; W335-F483 HydrophobicContact CH2-CZ 4.49Å; W335-F483 AromaticContact CZ3-CE1 3.99Å; W335-F483 HydrophobicContact CZ3-CE1 3.99Å; W335-F483 HydrophobicContact CZ3-CZ 4.43Å; I396-F483 HydrophobicContact CD1-CE2 3.71Å; I396-F483 HydrophobicContact CD1-CZ 4.39Å; I396-F483 HydrophobicContact CG1-CE2 3.94Å; I396-F483 HydrophobicContact CG2-CD2 3.86Å; I396-F483 HydrophobicContact CG2-CE2 3.92Å; W442-F483 VanDerWaalsContact O-CB 3.32Å; W442-F483 WeakPolarHBondContact O-CB 3.31Å; W442-F483 WeakPolarHBondContact O-CD2 3.36Å; M443-F483 HydrophobicContact CB-CD1 4.19Å; M443-F483 HydrophobicContact CB-CE1 4.35Å; M443-F483 HydrophobicContact CB-CG 4.37Å; M443-F483 HydrophobicContact CE-CE2 4.46Å; M443-F483 HydrophobicContact CE-CZ 4.04Å; M443-F483 HydrophobicContact CG-CD1 4.4Å; M443-F483 HydrophobicContact CG-CD2 4.37Å; M443-F483 HydrophobicContact CG-CE1 4.18Å; M443-F483 HydrophobicContact CG-CE2 4.18Å; M443-F483 HydrophobicContact CG-CG 4.49Å; M443-F483 HydrophobicContact CG-CZ 4.08Å; D444-F483 HydrophobicContact CB-CB 4.35Å; D444-F483 WeakPolarHBondContact OD2-CB 2.95Å; D444-F483 PolarHBondContact OD2-N 2.9Å; Y446-F483 HydrophobicContact CD2-CB 4.37Å; Y446-F483 AromaticContact CD2-CD1 3.67Å; Y446-F483 HydrophobicContact CD2-CD1 3.67Å; Y446-F483 AromaticContact CG-CD1 3.87Å; Y446-F483 HydrophobicContact CG-CD1 3.87Å; Y446-F483 HydrophobicContact CG-CE1 4.34Å; F483-W485 PolarHBondContact O-N 2.84Å; F483-Y486 HydrophobicContact CD2-CD1 4.18Å; F483-Y486 HydrophobicContact CD2-CG 4.44Å; F483-Y486 AromaticContact CE2-CD1 3.62Å; F483-Y486 HydrophobicContact CE2-CD1 3.62Å; F483-Y486 HydrophobicContact CE2-CE1 4.16Å; F483-Y486 HydrophobicContact CE2-CG 4.27Å; F483-Y486 HydrophobicContact CZ-CD1 4.14Å; F483-Y486 WeakPolarHBondContact O-CA 3.44Å; F483-Y486 VanDerWaalsContact O-CB 3.31Å; F483-Y486 WeakPolarHBondContact O-CB 3.37Å; F483-Y486 PolarHBondContact O-N 2.87Å; F483-L487 HydrophobicContact CD1-CD1 3.91Å; F483-L487 HydrophobicContact CD1-CG 4.05Å; F483-L487 HydrophobicContact CE1-CD1 3.82Å; F483-L487 HydrophobicContact CE1-CD2 3.88Å; F483-L487 HydrophobicContact CE1-CG 3.81Å; F483-L487 HydrophobicContact CZ-CD2 4.09Å; F483-L487 HydrophobicContact CZ-CG 4.31Å; F483-L487 PolarHBondContact O-N 3.1Å
484	K	98.2	Very high	98	Very high	93 Å²	93	60.7 Å²	60.7	40%	0.404	30%	0.295	S	S	.	.	H	α-helix	trans	-53.6	-42.7	171	179	165	175.1	41.9	0	112.2	Y446 P482 Y486 L487 D488	Y446-K484 HydrophobicContact CE2-CB 3.95Å; P482-K484 PolarHBondContact O-N 2.98Å; K484-Y486 VanDerWaalsContact C-N 3.3Å; K484-Y486 PolarHBondContact O-N 2.04Å; K484-L487 PolarHBondContact O-N 3.41Å; K484-D488 WeakPolarHBondContact CE-OD2 3.34Å; K484-D488 WeakPolarHBondContact CG-OD2 3.48Å; K484-D488 IonicContact NZ-OD1 2.71Å; K484-D488 PolarHBondContact NZ-OD1 3.47Å; K484-D488 IonicContact NZ-OD2 3.85Å; K484-D488 PolarHBondContact NZ-OD2 2.81Å; K484-D488 WeakPolarHBondContact O-CB 3.29Å; K484-D488 VanDerWaalsContact O-CG 3.25Å; K484-D488 PolarHBondContact O-N 2.88Å
485	W	98.6	Very high	97.9	Very high	71 Å²	71	62.3 Å²	62.3	27%	0.269	30%	0.303	S	S	.	.	H	α-helix	trans	-62.7	-40.1	176.6	176.1	92.3	0	0	0	111.1	W399 K481 P482 F483 D488 N489 I490	W399-W485 WeakPolarHBondContact O-CZ3 3.19Å; K481-W485 HydrophobicContact CB-CB 4.21Å; K481-W485 HydrophobicContact CB-CD2 4.02Å; K481-W485 HydrophobicContact CB-CE3 3.89Å; K481-W485 HydrophobicContact CB-CG 4.15Å; K481-W485 HydrophobicContact CD-CD2 3.28Å; K481-W485 HydrophobicContact CD-CE3 3.49Å; K481-W485 VanDerWaalsContact CD-CE3 3.49Å; K481-W485 HydrophobicContact CD-CG 3.85Å; K481-W485 HydrophobicContact CD-CH2 3.8Å; K481-W485 HydrophobicContact CD-CZ2 3.61Å; K481-W485 HydrophobicContact CD-CZ3 3.75Å; K481-W485 HydrophobicContact CG-CD2 4.27Å; K481-W485 HydrophobicContact CG-CE3 4.32Å; P482-W485 HydrophobicContact CG-CB 4.21Å; P482-W485 VanDerWaalsContact O-CB 3.31Å; P482-W485 WeakPolarHBondContact O-CB 3.2Å; P482-W485 PolarHBondContact O-N 2.84Å; F483-W485 PolarHBondContact O-N 2.84Å; W485-D488 PolarHBondContact O-N 3.48Å; W485-N489 HydrophobicContact CD2-CB 4.33Å; W485-N489 HydrophobicContact CZ2-CB 4.11Å; W485-N489 PolarHBondContact NE1-ND2 3.35Å; W485-N489 VanDerWaalsContact O-CB 3.29Å; W485-N489 WeakPolarHBondContact O-CB 3.44Å; W485-N489 PolarHBondContact O-N 2.81Å; W485-N489 PolarHBondContact O-ND2 3.21Å; W485-I490 HydrophobicContact CE3-CG1 4.48Å; W485-I490 HydrophobicContact CH2-CD1 3.89Å; W485-I490 HydrophobicContact CH2-CG1 3.94Å; W485-I490 HydrophobicContact CZ3-CD1 4.21Å; W485-I490 HydrophobicContact CZ3-CG1 3.74Å
486	Y	98.7	Very high	97.7	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-61.6	-45.9	176.3	176.9	-89.5	0	0	0	111.6	F333 P361 I396 W399 T400 P482 F483 K484 I490 Y491	F333-Y486 HydrophobicContact CE1-CE1 4.42Å; F333-Y486 WeakPolarHBondContact CE1-OH 3.04Å; F333-Y486 HydrophobicContact CZ-CE1 4.06Å; P361-Y486 VanDerWaalsContact C-OH 3.27Å; P361-Y486 WeakPolarHBondContact CB-OH 3.46Å; P361-Y486 PolarHBondContact O-OH 2.77Å; I396-Y486 HydrophobicContact CG1-CE1 4.25Å; I396-Y486 HydrophobicContact CG1-CE2 4.45Å; W399-Y486 HydrophobicContact CB-CD2 3.79Å; W399-Y486 HydrophobicContact CB-CE2 3.86Å; W399-Y486 AromaticContact CD1-CE2 3.86Å; W399-Y486 HydrophobicContact CG-CD2 4.39Å; W399-Y486 HydrophobicContact CG-CE2 4.07Å; T400-Y486 HydrophobicContact CG2-CD2 4.37Å; P482-Y486 PolarHBondContact O-N 3.28Å; F483-Y486 HydrophobicContact CD2-CD1 4.18Å; F483-Y486 HydrophobicContact CD2-CG 4.44Å; F483-Y486 AromaticContact CE2-CD1 3.62Å; F483-Y486 HydrophobicContact CE2-CD1 3.62Å; F483-Y486 HydrophobicContact CE2-CE1 4.16Å; F483-Y486 HydrophobicContact CE2-CG 4.27Å; F483-Y486 HydrophobicContact CZ-CD1 4.14Å; F483-Y486 WeakPolarHBondContact O-CA 3.44Å; F483-Y486 VanDerWaalsContact O-CB 3.31Å; F483-Y486 WeakPolarHBondContact O-CB 3.37Å; F483-Y486 PolarHBondContact O-N 2.87Å; K484-Y486 VanDerWaalsContact C-N 3.3Å; K484-Y486 PolarHBondContact O-N 2.04Å; Y486-I490 HydrophobicContact CD2-CB 3.78Å; Y486-I490 HydrophobicContact CD2-CG1 4.02Å; Y486-I490 HydrophobicContact CD2-CG2 3.98Å; Y486-I490 HydrophobicContact CE2-CB 3.87Å; Y486-I490 HydrophobicContact CE2-CG1 4.43Å; Y486-I490 HydrophobicContact CE2-CG2 3.53Å; Y486-I490 HydrophobicContact CG-CB 4.29Å; Y486-I490 WeakPolarHBondContact O-CA 3.45Å; Y486-I490 VanDerWaalsContact O-CB 3.32Å; Y486-I490 WeakPolarHBondContact O-CB 3.27Å; Y486-I490 PolarHBondContact O-N 3.39Å; Y486-Y491 HydrophobicContact CE1-CD1 4.18Å; Y486-Y491 HydrophobicContact CE1-CG 4.48Å; Y486-Y491 PolarHBondContact O-N 3.37Å
487	L	98.1	Very high	97.5	Very high	9 Å²	9	55.3 Å²	55.3	5%	0.047	27%	0.273	C	S	.	.	H	α-helix	trans	-61.5	-44.8	175.4	-66.8	174.4	0	0	0	111.8	W335 Y446 F483 K484 Y491 P492 L494 P496	W335-L487 HydrophobicContact CH2-CD1 4.49Å; W335-L487 HydrophobicContact CH2-CD2 4.44Å; Y446-L487 HydrophobicContact CD1-CD1 3.65Å; Y446-L487 HydrophobicContact CD2-CD1 4.22Å; Y446-L487 HydrophobicContact CE1-CD1 3.6Å; Y446-L487 HydrophobicContact CE2-CD1 4.19Å; Y446-L487 HydrophobicContact CG-CD1 3.98Å; F483-L487 HydrophobicContact CD1-CD1 3.91Å; F483-L487 HydrophobicContact CD1-CG 4.05Å; F483-L487 HydrophobicContact CE1-CD1 3.82Å; F483-L487 HydrophobicContact CE1-CD2 3.88Å; F483-L487 HydrophobicContact CE1-CG 3.81Å; F483-L487 HydrophobicContact CZ-CD2 4.09Å; F483-L487 HydrophobicContact CZ-CG 4.31Å; F483-L487 PolarHBondContact O-N 3.1Å; K484-L487 PolarHBondContact O-N 3.41Å; L487-Y491 CarbonylContact O-C 3.55Å; L487-P492 WeakPolarHBondContact O-CA 3.38Å; L487-L494 HydrophobicContact CD2-CB 4.2Å; L487-L494 HydrophobicContact CD2-CD2 3.86Å; L487-L494 HydrophobicContact CD2-CG 4.37Å; L487-P496 HydrophobicContact CD1-CG 3.93Å
488	D	97.8	Very high	96.8	Very high	92 Å²	92	51.4 Å²	51.4	49%	0.492	27%	0.266	S	S	.	.	H	α-helix	trans	-72.2	-32.6	-175.5	-67.7	-21.8	0	0	0	112.8	K484 W485	K484-D488 WeakPolarHBondContact CE-OD2 3.34Å; K484-D488 WeakPolarHBondContact CG-OD2 3.48Å; K484-D488 IonicContact NZ-OD1 2.71Å; K484-D488 PolarHBondContact NZ-OD1 3.47Å; K484-D488 IonicContact NZ-OD2 3.85Å; K484-D488 PolarHBondContact NZ-OD2 2.81Å; K484-D488 WeakPolarHBondContact O-CB 3.29Å; K484-D488 VanDerWaalsContact O-CG 3.25Å; K484-D488 PolarHBondContact O-N 2.88Å; W485-D488 PolarHBondContact O-N 3.48Å
489	N	97.4	Very high	96.4	Very high	94 Å²	94	52.7 Å²	52.7	50%	0.503	27%	0.273	S	S	.	.	H	α-helix	trans	-111	-32.8	-168.8	-62.9	-94.2	0	0	0	113.9	W485	W485-N489 HydrophobicContact CD2-CB 4.33Å; W485-N489 HydrophobicContact CZ2-CB 4.11Å; W485-N489 PolarHBondContact NE1-ND2 3.35Å; W485-N489 VanDerWaalsContact O-CB 3.29Å; W485-N489 WeakPolarHBondContact O-CB 3.44Å; W485-N489 PolarHBondContact O-N 2.81Å; W485-N489 PolarHBondContact O-ND2 3.21Å
490	I	97.9	Very high	96.2	Very high	31 Å²	31	46.4 Å²	46.4	16%	0.159	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.3	-45.3	-171.9	-54.7	-52.3	0	0	0	111.2	P361 W399 W485 Y486	P361-I490 HydrophobicContact CB-CG2 4.49Å; W399-I490 HydrophobicContact CB-CG1 4.17Å; W399-I490 HydrophobicContact CB-CG2 4.48Å; W399-I490 HydrophobicContact CD2-CD1 3.69Å; W399-I490 HydrophobicContact CD2-CG1 3.9Å; W399-I490 HydrophobicContact CD2-CG2 3.8Å; W399-I490 HydrophobicContact CE3-CD1 3.31Å; W399-I490 HydrophobicContact CE3-CG1 3.94Å; W399-I490 HydrophobicContact CG-CB 4.49Å; W399-I490 HydrophobicContact CG-CD1 4.37Å; W399-I490 HydrophobicContact CG-CG1 4.05Å; W399-I490 HydrophobicContact CG-CG2 3.75Å; W399-I490 HydrophobicContact CH2-CD1 4.03Å; W399-I490 HydrophobicContact CZ2-CD1 4.4Å; W399-I490 HydrophobicContact CZ2-CG2 4.34Å; W399-I490 HydrophobicContact CZ3-CD1 3.5Å; W399-I490 VanDerWaalsContact CZ3-CD1 3.5Å; W485-I490 HydrophobicContact CE3-CG1 4.48Å; W485-I490 HydrophobicContact CH2-CD1 3.89Å; W485-I490 HydrophobicContact CH2-CG1 3.94Å; W485-I490 HydrophobicContact CZ3-CD1 4.21Å; W485-I490 HydrophobicContact CZ3-CG1 3.74Å; Y486-I490 HydrophobicContact CD2-CB 3.78Å; Y486-I490 HydrophobicContact CD2-CG1 4.02Å; Y486-I490 HydrophobicContact CD2-CG2 3.98Å; Y486-I490 HydrophobicContact CE2-CB 3.87Å; Y486-I490 HydrophobicContact CE2-CG1 4.43Å; Y486-I490 HydrophobicContact CE2-CG2 3.53Å; Y486-I490 HydrophobicContact CG-CB 4.29Å; Y486-I490 WeakPolarHBondContact O-CA 3.45Å; Y486-I490 VanDerWaalsContact O-CB 3.32Å; Y486-I490 WeakPolarHBondContact O-CB 3.27Å; Y486-I490 PolarHBondContact O-N 3.39Å
491	Y	97.5	Very high	96.1	Very high	2 Å²	2	47 Å²	47	1%	0.008	24%	0.241	C	C	.	.			trans	-129.3	58.9	-176	-158.9	-167.3	0	0	0	114.4	A332 F333 P361 Y486 L487 K493 L494 H554	A332-Y491 HydrophobicContact CB-CE2 4.27Å; A332-Y491 WeakPolarHBondContact CB-OH 3.41Å; F333-Y491 HydrophobicContact CD1-CD1 4.37Å; F333-Y491 AromaticContact CD1-CE1 3.92Å; F333-Y491 HydrophobicContact CD1-CE1 3.92Å; F333-Y491 HydrophobicContact CD2-CE1 4.29Å; F333-Y491 AromaticContact CE1-CD1 3.82Å; F333-Y491 HydrophobicContact CE1-CD1 3.82Å; F333-Y491 AromaticContact CE1-CE1 3.83Å; F333-Y491 HydrophobicContact CE1-CE1 3.83Å; F333-Y491 HydrophobicContact CE2-CD1 4.42Å; F333-Y491 HydrophobicContact CE2-CE1 4.21Å; F333-Y491 HydrophobicContact CG-CE1 4.16Å; F333-Y491 AromaticContact CZ-CD1 3.85Å; F333-Y491 HydrophobicContact CZ-CD1 3.85Å; F333-Y491 AromaticContact CZ-CE1 3.99Å; F333-Y491 HydrophobicContact CZ-CE1 3.99Å; F333-Y491 PolarHBondContact N-OH 3.08Å; F333-Y491 WeakPolarHBondContact O-CE1 3.12Å; F333-Y491 PolarHBondContact O-OH 3.1Å; P361-Y491 HydrophobicContact CB-CD1 3.97Å; P361-Y491 HydrophobicContact CB-CD2 4.06Å; P361-Y491 HydrophobicContact CB-CE1 4.47Å; P361-Y491 HydrophobicContact CB-CG 3.76Å; P361-Y491 HydrophobicContact CG-CD1 4.5Å; P361-Y491 HydrophobicContact CG-CD2 3.7Å; P361-Y491 HydrophobicContact CG-CE2 4.14Å; P361-Y491 HydrophobicContact CG-CG 3.93Å; Y486-Y491 HydrophobicContact CE1-CD1 4.18Å; Y486-Y491 HydrophobicContact CE1-CG 4.48Å; Y486-Y491 PolarHBondContact O-N 3.37Å; L487-Y491 CarbonylContact O-C 3.55Å; Y491-K493 HydrophobicContact CD2-CB 4.4Å; Y491-K493 HydrophobicContact CE2-CB 4.25Å; Y491-K493 PolarHBondContact O-N 2.75Å; Y491-L494 HydrophobicContact CD1-CB 3.75Å; Y491-L494 HydrophobicContact CD1-CD2 3.97Å; Y491-L494 HydrophobicContact CD1-CG 4.36Å; Y491-L494 HydrophobicContact CD2-CB 4.34Å; Y491-L494 HydrophobicContact CE1-CB 3.79Å; Y491-L494 HydrophobicContact CE1-CD1 4.1Å; Y491-L494 HydrophobicContact CE1-CD2 4.02Å; Y491-L494 HydrophobicContact CE1-CG 4.19Å; Y491-L494 HydrophobicContact CE2-CB 4.39Å; Y491-L494 HydrophobicContact CG-CB 4.01Å; Y491-L494 PolarHBondContact O-N 3.07Å; Y491-H554 AromaticContact CZ-NE2 3.9Å; Y491-H554 PolarHBondContact OH-CD2 2.61Å; Y491-H554 PolarHBondContact OH-NE2 2.94Å
492	P	96.5	Very high	96	Very high	65 Å²	65	42.7 Å²	42.7	42%	0.422	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-11.6	-175	27.8	-36.8	0	0	0	114.7	L487 K555	L487-P492 WeakPolarHBondContact O-CA 3.38Å; P492-K555 WeakPolarHBondContact O-CD 3.27Å; P492-K555 WeakPolarHBondContact O-CE 3.12Å; P492-K555 PolarHBondContact O-NZ 3.31Å
493	K	96.6	Very high	95.9	Very high	61 Å²	61	39.4 Å²	39.4	27%	0.265	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-23.9	177.7	-64.2	177.8	-168.8	167.6	0	113.1	E342 G343 Y491 H554 K555 Y556	E342-K493 WeakPolarHBondContact OE1-CD 3.03Å; E342-K493 IonicContact OE1-NZ 3.19Å; E342-K493 WeakPolarHBondContact OE2-CD 3.46Å; E342-K493 IonicContact OE2-NZ 3.06Å; E342-K493 PolarHBondContact OE2-NZ 2.85Å; G343-K493 PolarHBondContact O-NZ 2.71Å; Y491-K493 HydrophobicContact CD2-CB 4.4Å; Y491-K493 HydrophobicContact CE2-CB 4.25Å; Y491-K493 PolarHBondContact O-N 2.75Å; K493-H554 VanDerWaalsContact O-CA 3.31Å; K493-H554 WeakPolarHBondContact O-CA 3.15Å; K493-K555 PolarHBondContact O-N 2.79Å; K493-Y556 HydrophobicContact CB-CD1 4.48Å; K493-Y556 HydrophobicContact CB-CE1 4.3Å; K493-Y556 HydrophobicContact CD-CE1 4.3Å
494	L	97.3	Very high	95.8	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.005	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	-67.5	130.5	172	-169.5	68.6	0	0	0	108.3	F333 W335 L487 Y491 P496 S553	F333-L494 HydrophobicContact CE2-CD2 3.83Å; F333-L494 HydrophobicContact CZ-CD2 4.33Å; W335-L494 HydrophobicContact CD2-CD1 4.35Å; W335-L494 HydrophobicContact CD2-CD2 4.22Å; W335-L494 HydrophobicContact CD2-CG 4.34Å; W335-L494 HydrophobicContact CE3-CD2 4.39Å; W335-L494 HydrophobicContact CG-CD1 4.36Å; W335-L494 HydrophobicContact CH2-CD2 4.05Å; W335-L494 HydrophobicContact CZ2-CD2 3.81Å; W335-L494 HydrophobicContact CZ2-CG 3.84Å; W335-L494 HydrophobicContact CZ3-CD2 4.33Å; L487-L494 HydrophobicContact CD2-CB 4.2Å; L487-L494 HydrophobicContact CD2-CD2 3.86Å; L487-L494 HydrophobicContact CD2-CG 4.37Å; Y491-L494 HydrophobicContact CD1-CB 3.75Å; Y491-L494 HydrophobicContact CD1-CD2 3.97Å; Y491-L494 HydrophobicContact CD1-CG 4.36Å; Y491-L494 HydrophobicContact CD2-CB 4.34Å; Y491-L494 HydrophobicContact CE1-CB 3.79Å; Y491-L494 HydrophobicContact CE1-CD1 4.1Å; Y491-L494 HydrophobicContact CE1-CD2 4.02Å; Y491-L494 HydrophobicContact CE1-CG 4.19Å; Y491-L494 HydrophobicContact CE2-CB 4.39Å; Y491-L494 HydrophobicContact CG-CB 4.01Å; Y491-L494 PolarHBondContact O-N 3.07Å; L494-P496 WeakPolarHBondContact O-CD 3.3Å; L494-S553 WeakPolarHBondContact CD1-O 3.45Å
495	D	95.3	Very high	95.8	Very high	50 Å²	50	35.1 Å²	35.1	27%	0.267	18%	0.183	S	C	.	.			trans	-105.4	106	-170.4	-167.3	30.1	0	0	0	110.9	W335 W497 S553 K555	W335-D495 PolarHBondContact NE1-O 2.8Å; D495-W497 PolarHBondContact O-N 2.87Å; D495-S553 PolarHBondContact N-O 3.33Å; D495-K555 HydrophobicContact CB-CG 3.62Å
496	P	94.9	Very high	95.7	Very high	21 Å²	21	31.7 Å²	31.7	14%	0.136	17%	0.17	C	C	.	.			trans	-59.2	133.7	171.5	-23.6	35.9	0	0	0	111.3	W335 Y446 L487 L494 D498	W335-P496 HydrophobicContact CZ2-CB 4.39Å; W335-P496 HydrophobicContact CZ2-CG 4.31Å; Y446-P496 HydrophobicContact CD1-CB 3.96Å; Y446-P496 HydrophobicContact CD1-CG 4.1Å; Y446-P496 HydrophobicContact CE1-CB 4.02Å; Y446-P496 HydrophobicContact CE1-CG 3.94Å; L487-P496 HydrophobicContact CD1-CG 3.93Å; L494-P496 WeakPolarHBondContact O-CD 3.3Å; P496-D498 PolarHBondContact O-N 2.65Å
497	W	93.4	Very high	95.7	Very high	14 Å²	14	34 Å²	34	5%	0.053	18%	0.18	C	C	.	.			trans	-87.7	61.9	180	-59.5	-34.2	0	0	0	112.1	W335 N449 L452 A453 D495 L500 I551 K552 S553	W335-W497 HydrophobicContact CB-CH2 3.58Å; W335-W497 HydrophobicContact CB-CZ2 4.16Å; W335-W497 HydrophobicContact CB-CZ3 3.85Å; W335-W497 AromaticContact CD1-CE2 3.62Å; W335-W497 AromaticContact CD1-CH2 3.79Å; W335-W497 AromaticContact CD1-CZ2 3.5Å; W335-W497 HydrophobicContact CG-CH2 4.02Å; W335-W497 HydrophobicContact CG-CZ2 4.19Å; W335-W497 HydrophobicContact CG-CZ3 4.21Å; N449-W497 HydrophobicContact CB-CE3 4.27Å; N449-W497 WeakPolarHBondContact O-CZ3 3.3Å; N449-W497 PolarHBondContact OD1-N 2.94Å; L452-W497 HydrophobicContact CB-CE3 3.67Å; L452-W497 HydrophobicContact CB-CZ3 3.79Å; L452-W497 HydrophobicContact CD1-CB 4.04Å; L452-W497 HydrophobicContact CD1-CE3 3.9Å; L452-W497 HydrophobicContact CG-CE3 4.45Å; A453-W497 HydrophobicContact CB-CH2 4.02Å; A453-W497 HydrophobicContact CB-CZ3 3.9Å; D495-W497 PolarHBondContact O-N 2.87Å; W497-L500 HydrophobicContact CB-CD1 3.92Å; W497-I551 HydrophobicContact CB-CD1 4.2Å; W497-I551 HydrophobicContact CD2-CD1 3.61Å; W497-I551 HydrophobicContact CD2-CG1 4.04Å; W497-I551 HydrophobicContact CD2-CG2 4.13Å; W497-I551 HydrophobicContact CE3-CD1 4.24Å; W497-I551 HydrophobicContact CE3-CG2 4.05Å; W497-I551 HydrophobicContact CG-CD1 3.58Å; W497-I551 HydrophobicContact CG-CG1 4.3Å; W497-I551 HydrophobicContact CH2-CB 4.47Å; W497-I551 HydrophobicContact CH2-CG2 3.26Å; W497-I551 HydrophobicContact CZ2-CB 4.13Å; W497-I551 HydrophobicContact CZ2-CD1 4.43Å; W497-I551 HydrophobicContact CZ2-CG1 3.95Å; W497-I551 HydrophobicContact CZ2-CG2 3.35Å; W497-I551 HydrophobicContact CZ3-CG2 3.64Å; W497-K552 PolarHBondContact NE1-O 2.68Å; W497-S553 WeakPolarHBondContact CZ2-OG 3.47Å
498	D	83.4	Confident	95.7	Very high	96 Å²	96	33.6 Å²	33.6	51%	0.513	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	151.7	174.7	-57.8	-39	0	0	0	110.3	P496	P496-D498 PolarHBondContact O-N 2.65Å
499	N	89.8	Confident	95.7	Very high	83 Å²	83	31.5 Å²	31.5	44%	0.444	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.1	25.6	177	-163.8	38.9	0	0	0	116.4	R541 G542	N499-R541 WeakPolarHBondContact O-CA 3.04Å; N499-G542 PolarHBondContact O-N 3.38Å
500	L	95	Very high	95.6	Very high	13 Å²	13	30.7 Å²	30.7	7%	0.068	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	136.4	163.9	-68.7	176.2	0	0	0	111.2	L452 W497 Y539 R541 I551 I629	L452-L500 HydrophobicContact CD1-CD1 3.63Å; L452-L500 HydrophobicContact CD2-CD1 3.88Å; L452-L500 HydrophobicContact CG-CD1 4.36Å; W497-L500 HydrophobicContact CB-CD1 3.92Å; L500-Y539 HydrophobicContact CD1-CD1 4.03Å; L500-R541 HydrophobicContact CD2-CG 3.77Å; L500-I551 HydrophobicContact CD1-CD1 4.11Å; L500-I629 HydrophobicContact CB-CD1 3.63Å
501	L	95.9	Very high	95.5	Very high	28 Å²	28	31.3 Å²	31.3	15%	0.147	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	-30.8	174.5	-65.8	-178.3	0	0	0	111.9	Y540 I629 K630 F632	L501-Y540 HydrophobicContact CB-CD1 3.95Å; L501-Y540 HydrophobicContact CB-CE1 4.46Å; L501-Y540 HydrophobicContact CD1-CD1 4.02Å; L501-Y540 HydrophobicContact CD1-CE1 3.7Å; L501-Y540 PolarHBondContact N-O 3.33Å; L501-I629 WeakPolarHBondContact O-CB 2.9Å; L501-I629 PolarHBondContact O-N 3.2Å; L501-K630 HydrophobicContact CD2-CB 4.38Å; L501-K630 PolarHBondContact O-N 2.84Å; L501-F632 HydrophobicContact CB-CD1 3.63Å; L501-F632 HydrophobicContact CB-CE1 3.88Å; L501-F632 HydrophobicContact CB-CG 4.32Å; L501-F632 HydrophobicContact CD1-CB 3.82Å; L501-F632 HydrophobicContact CD1-CD1 4.1Å; L501-F632 HydrophobicContact CD1-CG 3.97Å; L501-F632 HydrophobicContact CG-CD1 4.37Å
502	A	96.2	Very high	95.4	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	156.5	-174.4	0	0	0	0	0	111.6	Y540 I625 N627 F632	A502-Y540 PolarHBondContact N-O 3.07Å; A502-Y540 PolarHBondContact O-N 3.4Å; A502-I625 HydrophobicContact CB-CD1 4.13Å; A502-I625 HydrophobicContact CB-CG2 3.28Å; A502-N627 CarbonylContact C-O 3.49Å; A502-N627 VanDerWaalsContact CA-O 3.23Å; A502-N627 WeakPolarHBondContact CA-O 3.49Å; A502-N627 WeakPolarHBondContact CB-O 3.47Å; A502-F632 HydrophobicContact CB-CE1 3.6Å; A502-F632 HydrophobicContact CB-CZ 3.71Å
503	Y	96.8	Very high	95.5	Very high	3 Å²	3	33.7 Å²	33.7	1%	0.012	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	171.4	179.4	67.6	-74.2	0	0	0	113.3	L452 N455 I456 P457 F458 A538 N627 I629	L452-Y503 HydrophobicContact CD2-CD1 3.48Å; L452-Y503 VanDerWaalsContact CD2-CD1 3.48Å; L452-Y503 HydrophobicContact CD2-CD2 3.86Å; L452-Y503 HydrophobicContact CD2-CE1 3.84Å; L452-Y503 HydrophobicContact CD2-CE2 4.17Å; L452-Y503 HydrophobicContact CD2-CG 3.5Å; L452-Y503 VanDerWaalsContact CD2-CG 3.5Å; N455-Y503 WeakPolarHBondContact OD1-CD2 3.48Å; I456-Y503 VanDerWaalsContact C-OH 3.31Å; I456-Y503 PolarHBondContact O-OH 2.82Å; P457-Y503 WeakPolarHBondContact CA-OH 3.27Å; F458-Y503 HydrophobicContact CD1-CE1 4.29Å; F458-Y503 WeakPolarHBondContact CD1-OH 3.48Å; F458-Y503 AromaticContact CE1-CE1 3.77Å; F458-Y503 HydrophobicContact CE1-CE1 3.77Å; F458-Y503 AromaticContact CE1-CZ 3.79Å; F458-Y503 HydrophobicContact CZ-CE1 4.22Å; Y503-A538 CarbonylContact C-O 3.5Å; Y503-A538 WeakPolarHBondContact CA-O 3.43Å; Y503-N627 HydrophobicContact CD1-CB 3.8Å; Y503-N627 HydrophobicContact CD2-CB 4.24Å; Y503-N627 HydrophobicContact CE1-CB 3.41Å; Y503-N627 VanDerWaalsContact CE1-CB 3.41Å; Y503-N627 HydrophobicContact CE2-CB 3.91Å; Y503-N627 WeakPolarHBondContact CE2-ND2 3.42Å; Y503-N627 HydrophobicContact CG-CB 4.19Å; Y503-N627 VanDerWaalsContact CZ-CB 3.47Å; Y503-N627 PolarHBondContact N-O 3.24Å; Y503-N627 WeakPolarHBondContact O-CB 3.35Å; Y503-N627 PolarHBondContact O-N 3.46Å; Y503-I629 HydrophobicContact CD1-CD1 3.78Å; Y503-I629 HydrophobicContact CD1-CG1 3.76Å; Y503-I629 HydrophobicContact CE1-CD1 4.12Å; Y503-I629 HydrophobicContact CE1-CG1 3.73Å
504	G	96.7	Very high	95.5	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	99	-160.9	178.6	0	0	0	0	0	111.8	N455 L506 A538	N455-G504 VanDerWaalsContact OD1-CA 3.25Å; N455-G504 WeakPolarHBondContact OD1-CA 3.09Å; G504-L506 PolarHBondContact O-N 3.09Å; G504-A538 PolarHBondContact N-O 3.46Å; G504-A538 WeakPolarHBondContact O-CB 3.49Å; G504-A538 PolarHBondContact O-N 2.88Å
505	A	97.1	Very high	95.5	Very high	3 Å²	3	30.7 Å²	30.7	3%	0.025	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	132.8	-177.5	0	0	0	0	0	111.9	Y532 Q536 I625 Q626	A505-Y532 HydrophobicContact CB-CD1 3.39Å; A505-Y532 HydrophobicContact CB-CE1 3.64Å; A505-Y532 HydrophobicContact CB-CG 4.38Å; A505-Q536 WeakPolarHBondContact CA-O 3.43Å; A505-I625 CarbonylContact O-C 3.59Å; A505-I625 WeakPolarHBondContact O-CA 3.21Å; A505-Q626 PolarHBondContact O-N 3.48Å
506	L	97.8	Very high	95.6	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	106.5	174.2	175.2	65.5	0	0	0	109.6	G504 C514 I515 A538 M546 I548 F591 L597 W623 I625	G504-L506 PolarHBondContact O-N 3.09Å; L506-C514 WeakPolarHBondContact O-CA 3.42Å; L506-I515 HydrophobicContact CB-CG2 3.69Å; L506-I515 HydrophobicContact CD2-CG2 4.07Å; L506-I515 HydrophobicContact CG-CG2 4.11Å; L506-I515 PolarHBondContact O-N 2.9Å; L506-A538 HydrophobicContact CB-CB 3.73Å; L506-A538 HydrophobicContact CD2-CB 4.49Å; L506-M546 HydrophobicContact CD2-CE 4.11Å; L506-M546 HydrophobicContact CD2-CG 4.38Å; L506-M546 HydrophobicContact CD2-SD 4.15Å; L506-I548 HydrophobicContact CD2-CD1 4.48Å; L506-F591 HydrophobicContact CD1-CE1 4.41Å; L506-F591 HydrophobicContact CD1-CE2 4.49Å; L506-F591 HydrophobicContact CD1-CZ 3.98Å; L506-L597 HydrophobicContact CD2-CD2 4.17Å; L506-W623 HydrophobicContact CD1-CB 4.19Å; L506-W623 HydrophobicContact CD1-CE3 4.21Å; L506-W623 HydrophobicContact CD2-CE3 4.47Å; L506-W623 HydrophobicContact CG-CE3 3.93Å; L506-W623 HydrophobicContact CG-CZ3 4.4Å; L506-I625 HydrophobicContact CB-CG1 4.3Å; L506-I625 HydrophobicContact CD1-CB 4.15Å; L506-I625 HydrophobicContact CD1-CG1 4.49Å
507	K	98.1	Very high	95.7	Very high	49 Å²	49	29.9 Å²	29.9	21%	0.213	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	137.9	-173.6	-176.6	177.4	179.9	-175.8	0	111.1	L509 E512 W623 K624	K507-L509 HydrophobicContact CD-CD2 4.48Å; K507-E512 VanDerWaalsContact CE-CD 3.43Å; K507-E512 WeakPolarHBondContact CE-OE1 3.46Å; K507-E512 WeakPolarHBondContact CE-OE2 3.4Å; K507-E512 IonicContact NZ-OE1 3.9Å; K507-E512 PolarHBondContact NZ-OE1 2.79Å; K507-E512 IonicContact NZ-OE2 2.78Å; K507-E512 PolarHBondContact NZ-OE2 2.98Å; K507-W623 CarbonylContact O-C 3.55Å; K507-W623 WeakPolarHBondContact O-CA 3.26Å; K507-K624 PolarHBondContact N-O 2.97Å; K507-K624 PolarHBondContact O-N 3.17Å
508	N	98.1	Very high	95.7	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	122.8	164.4	-177.3	-83.6	0	0	0	108.9	D510 S511 E512 L513 M608 Q621 W623	N508-D510 VanDerWaalsContact C-N 3.3Å; N508-D510 PolarHBondContact O-N 3.17Å; N508-D510 PolarHBondContact OD1-N 3.05Å; N508-S511 PolarHBondContact OD1-N 3.25Å; N508-S511 PolarHBondContact OD1-OG 2.64Å; N508-E512 VanDerWaalsContact O-CA 3.27Å; N508-E512 WeakPolarHBondContact O-CA 3.38Å; N508-E512 PolarHBondContact O-N 3.22Å; N508-L513 PolarHBondContact N-O 3.41Å; N508-M608 HydrophobicContact CB-CE 3.68Å; N508-M608 HydrophobicContact CB-CG 4.47Å; N508-M608 HydrophobicContact CB-SD 3.91Å; N508-Q621 PolarHBondContact ND2-OE1 2.86Å; N508-W623 HydrophobicContact CB-CD2 4.14Å; N508-W623 HydrophobicContact CB-CE3 3.85Å; N508-W623 HydrophobicContact CB-CH2 3.85Å; N508-W623 HydrophobicContact CB-CZ2 4.09Å; N508-W623 HydrophobicContact CB-CZ3 3.72Å; N508-W623 VanDerWaalsContact ND2-CE2 3.32Å; N508-W623 WeakPolarHBondContact ND2-CZ2 3.35Å
509	L	97.4	Very high	96.1	Very high	47 Å²	47	29.8 Å²	29.8	25%	0.246	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-12.7	-173.8	-61.3	-178.4	0	0	0	113.5	K507 R622 K624	K507-L509 HydrophobicContact CD-CD2 4.48Å; L509-R622 HydrophobicContact CB-CB 4.2Å; L509-R622 HydrophobicContact CD1-CB 4.11Å; L509-R622 HydrophobicContact CG-CB 4.46Å; L509-R622 PolarHBondContact N-O 3.16Å; L509-K624 HydrophobicContact CD1-CB 4.21Å; L509-K624 HydrophobicContact CD2-CB 3.82Å; L509-K624 HydrophobicContact CD2-CD 4.34Å; L509-K624 HydrophobicContact CG-CB 4.11Å
510	D	96.8	Very high	96	Very high	77 Å²	77	30.6 Å²	30.6	41%	0.412	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-28.5	-178.1	-53.3	-67.7	0	0	0	111.4	N508 Q621 R622	N508-D510 VanDerWaalsContact C-N 3.3Å; N508-D510 PolarHBondContact O-N 3.17Å; N508-D510 PolarHBondContact OD1-N 3.05Å; D510-Q621 HydrophobicContact CB-CG 4.46Å; D510-Q621 WeakPolarHBondContact OD2-CA 3.14Å; D510-R622 IonicContact OD1-CZ 2.92Å; D510-R622 IonicContact OD1-NE 2.7Å; D510-R622 PolarHBondContact OD1-NE 3.05Å; D510-R622 IonicContact OD1-NH2 2.84Å; D510-R622 PolarHBondContact OD1-NH2 3.01Å; D510-R622 PolarHBondContact OD2-N 2.87Å; D510-R622 IonicContact OD2-NE 3.64Å
511	S	94.8	Very high	95.5	Very high	44 Å²	44	36.3 Å²	36.3	31%	0.308	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	-15.4	173.7	74.6	0	0	0	0	114.4	N508 L513 M608	N508-S511 PolarHBondContact OD1-N 3.25Å; N508-S511 PolarHBondContact OD1-OG 2.64Å; S511-L513 PolarHBondContact O-N 2.88Å; S511-L513 PolarHBondContact OG-N 2.94Å; S511-M608 PolarHBondContact OG-SD 2.76Å
512	E	95.9	Very high	95.1	Very high	106 Å²	106	36.8 Å²	36.8	50%	0.495	22%	0.22	S	C	.	.			trans	62.2	14	-172.5	-63.2	-72.8	98.3	0	0	115.1	K507 N508	K507-E512 VanDerWaalsContact CE-CD 3.43Å; K507-E512 WeakPolarHBondContact CE-OE1 3.46Å; K507-E512 WeakPolarHBondContact CE-OE2 3.4Å; K507-E512 IonicContact NZ-OE1 3.9Å; K507-E512 PolarHBondContact NZ-OE1 2.79Å; K507-E512 IonicContact NZ-OE2 2.78Å; K507-E512 PolarHBondContact NZ-OE2 2.98Å; N508-E512 VanDerWaalsContact O-CA 3.27Å; N508-E512 WeakPolarHBondContact O-CA 3.38Å; N508-E512 PolarHBondContact O-N 3.22Å
513	L	97.7	Very high	94.9	Very high	11 Å²	11	39.7 Å²	39.7	6%	0.058	24%	0.236	C	C	.	.			trans	-97.5	159.9	177.2	-60.9	176.9	0	0	0	112.4	N508 S511 D529 M608 R611	N508-L513 PolarHBondContact N-O 3.41Å; S511-L513 PolarHBondContact O-N 2.88Å; S511-L513 PolarHBondContact OG-N 2.94Å; L513-D529 WeakPolarHBondContact CD2-OD1 3.33Å; L513-M608 HydrophobicContact CB-CE 3.99Å; L513-M608 HydrophobicContact CB-SD 3.82Å; L513-M608 HydrophobicContact CD1-SD 4.32Å; L513-R611 HydrophobicContact CD1-CB 3.92Å; L513-R611 HydrophobicContact CD1-CG 3.89Å
514	C	97.9	Very high	94.7	Very high	0 Å²	0	42 Å²	42	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	152.1	176.3	-74.8	0	0	0	0	111.3	L506 S527 Y528 C530	L506-C514 WeakPolarHBondContact O-CA 3.42Å; C514-S527 WeakPolarHBondContact O-CA 3.42Å; C514-Y528 PolarHBondContact N-O 3.21Å; C514-Y528 PolarHBondContact O-N 2.69Å; C514-C530 HydrophobicContact CB-CB 3.99Å; C514-C530 WeakPolarHBondContact CB-SG 3.36Å; C514-C530 PolarHBondContact N-SG 2.8Å; C514-C530 VanDerWaalsContact N-SG 3.35Å; C514-C530 WeakPolarHBondContact SG-CB 3.44Å; C514-C530 CovalentContact SG-SG 2.05Å; C514-C530 PolarHBondContact SG-SG 2.93Å
515	I	97.5	Very high	94.7	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	141.7	164.7	-170.6	159.3	0	0	0	109.8	L506 P525 Q536 I548 L562 L606 L613	L506-I515 HydrophobicContact CB-CG2 3.69Å; L506-I515 HydrophobicContact CD2-CG2 4.07Å; L506-I515 HydrophobicContact CG-CG2 4.11Å; L506-I515 PolarHBondContact O-N 2.9Å; I515-P525 HydrophobicContact CD1-CB 4.13Å; I515-P525 HydrophobicContact CD1-CG 4.33Å; I515-P525 HydrophobicContact CG1-CB 4.11Å; I515-Q536 WeakPolarHBondContact O-CG 3.49Å; I515-I548 HydrophobicContact CD1-CD1 3.91Å; I515-I548 HydrophobicContact CD1-CG1 4.1Å; I515-I548 HydrophobicContact CD1-CG2 4.44Å; I515-I548 HydrophobicContact CG1-CD1 4.4Å; I515-I548 HydrophobicContact CG1-CG2 4.16Å; I515-I548 HydrophobicContact CG2-CD1 3.93Å; I515-L562 HydrophobicContact CD1-CD1 4.16Å; I515-L606 HydrophobicContact CD1-CD2 4.22Å; I515-L613 HydrophobicContact CD1-CD1 3.99Å; I515-L613 HydrophobicContact CG1-CD1 3.84Å
516	D	97.3	Very high	94.7	Very high	12 Å²	12	45.1 Å²	45.1	6%	0.064	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	143.1	175.4	-168.8	-67.3	0	0	0	109.2	G518 P525 I526 H531 P535 Q536	D516-G518 PolarHBondContact O-N 2.81Å; D516-G518 VanDerWaalsContact O-N 3.16Å; D516-G518 PolarHBondContact OD1-N 2.88Å; D516-P525 CarbonylContact O-C 3.56Å; D516-P525 WeakPolarHBondContact O-CA 3.46Å; D516-P525 VanDerWaalsContact O-CB 3.31Å; D516-P525 WeakPolarHBondContact O-CB 3.42Å; D516-I526 HydrophobicContact CB-CG1 3.82Å; D516-I526 PolarHBondContact N-O 3.48Å; D516-I526 PolarHBondContact O-N 2.97Å; D516-H531 IonicContact OD2-CE1 3.64Å; D516-H531 PolarHBondContact OD2-CE1 3.15Å; D516-H531 IonicContact OD2-NE2 3.95Å; D516-H531 PolarHBondContact OD2-NE2 2.91Å; D516-H531 VanDerWaalsContact OD2-NE2 3.16Å; D516-P535 WeakPolarHBondContact OD1-CB 3.39Å; D516-P535 WeakPolarHBondContact OD2-CB 3.41Å; D516-Q536 HydrophobicContact CB-CG 3.9Å; D516-Q536 WeakPolarHBondContact OD2-CG 3.5Å
517	Q	96.6	Very high	94.6	Very high	41 Å²	41	46 Å²	46	19%	0.192	27%	0.272	C	S	.	.			trans	-59.6	-22.5	176.6	67.6	174.2	-7.7	0	0	113.6	P535 I548 L574	Q517-P535 HydrophobicContact CG-CB 3.76Å; Q517-P535 PolarHBondContact N-O 3.08Å; Q517-I548 HydrophobicContact CB-CG2 4.3Å; Q517-L574 HydrophobicContact CB-CD2 3.86Å
518	G	94.3	Very high	94.6	Very high	10 Å²	10	49.6 Å²	49.6	10%	0.103	29%	0.285	C	S	.	.			trans	74.1	-170.5	-175.6	0	0	0	0	0	114	D516	D516-G518 PolarHBondContact O-N 2.81Å; D516-G518 VanDerWaalsContact O-N 3.16Å; D516-G518 PolarHBondContact OD1-N 2.88Å
519	P	91.3	Very high	94.5	Very high	99 Å²	99	54 Å²	54	64%	0.643	31%	0.309	S	S	*	.	S	Bend	trans	-64.6	144.6	178.6	26.7	-33.6	0	0	0	111.9	P521 G522	P519-P521 CarbonylContact O-C 3.5Å; P519-G522 PolarHBondContact O-N 3.15Å
520	V	86.6	Confident	94.5	Very high	100 Å²	100	53.3 Å²	53.3	61%	0.606	31%	0.307	S	S	*	.	S	Bend	trans	-117.5	127.6	174.8	-178.1	0	0	0	0	108.2
521	P	85.6	Confident	94.4	Very high	132 Å²	132	52.3 Å²	52.3	86%	0.857	30%	0.3	S	S	*	.	S	Bend	cis	-74.7	139.1	4.6	31.7	-35.1	0	0	0	113.1	P519	P519-P521 CarbonylContact O-C 3.5Å
522	G	87.5	Confident	94.3	Very high	38 Å²	38	55.5 Å²	55.5	39%	0.392	31%	0.306	S	S	.	.			trans	-178	154.8	178.8	0	0	0	0	0	109.9	P519 R560	P519-G522 PolarHBondContact O-N 3.15Å; G522-R560 PolarHBondContact O-NH2 2.76Å
523	D	91.6	Very high	94	Very high	62 Å²	62	58.4 Å²	58.4	33%	0.332	31%	0.314	S	S	.	.	S	Bend	trans	-121.7	9.4	-174	73.3	-18	0	0	0	113.7	R565 G573 L574 F575	D523-R565 IonicContact OD2-NH1 2.73Å; D523-G573 CarbonylContact O-C 3.31Å; D523-G573 WeakPolarHBondContact O-CA 3.25Å; D523-L574 PolarHBondContact O-N 2.95Å; D523-F575 HydrophobicContact CB-CD1 4.28Å; D523-F575 HydrophobicContact CB-CE1 3.64Å; D523-F575 HydrophobicContact CB-CZ 3.78Å; D523-F575 VanDerWaalsContact OD2-CZ 3.27Å; D523-F575 WeakPolarHBondContact OD2-CZ 3.46Å
524	T	93.1	Very high	93.7	Very high	52 Å²	52	59.7 Å²	59.7	32%	0.319	33%	0.33	S	S	.	.			trans	-127.5	116.6	-175	-58.8	0	0	0	0	108.4	K571	T524-K571 HydrophobicContact CG2-CB 4.37Å; T524-K571 HydrophobicContact CG2-CD 4.33Å
525	P	96.1	Very high	93.6	Very high	3 Å²	3	61.7 Å²	61.7	2%	0.019	34%	0.343	C	S	.	.			trans	-69.8	158.9	174.8	31.2	-30.7	0	0	0	110	I515 D516 L562 P572 L574 L613	I515-P525 HydrophobicContact CD1-CB 4.13Å; I515-P525 HydrophobicContact CD1-CG 4.33Å; I515-P525 HydrophobicContact CG1-CB 4.11Å; D516-P525 CarbonylContact O-C 3.56Å; D516-P525 WeakPolarHBondContact O-CA 3.46Å; D516-P525 VanDerWaalsContact O-CB 3.31Å; D516-P525 WeakPolarHBondContact O-CB 3.42Å; P525-L562 HydrophobicContact CG-CD1 3.94Å; P525-P572 WeakPolarHBondContact CD-O 3.3Å; P525-P572 HydrophobicContact CG-CB 4.05Å; P525-P572 HydrophobicContact CG-CG 3.76Å; P525-L574 HydrophobicContact CB-CD2 4.38Å; P525-L574 HydrophobicContact CG-CB 4.34Å; P525-L613 HydrophobicContact CB-CD1 4.13Å; P525-L613 HydrophobicContact CG-CD1 4.17Å
526	I	96.3	Very high	93.5	Very high	65 Å²	65	61.7 Å²	61.7	33%	0.333	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	160.5	179.9	68.2	177.1	0	0	0	110.5	D516 Y528 L613	D516-I526 HydrophobicContact CB-CG1 3.82Å; D516-I526 PolarHBondContact N-O 3.48Å; D516-I526 PolarHBondContact O-N 2.97Å; I526-Y528 HydrophobicContact CD1-CD2 4.48Å; I526-L613 WeakPolarHBondContact O-CD1 3.49Å
527	S	96.5	Very high	93.4	Very high	17 Å²	17	61.6 Å²	61.6	12%	0.119	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	136.5	163.5	36.4	0	0	0	0	109.3	C514 R611	C514-S527 WeakPolarHBondContact O-CA 3.42Å; S527-R611 PolarHBondContact OG-O 2.83Å
528	Y	97.1	Very high	93.5	Very high	126 Å²	126	59.7 Å²	59.7	49%	0.494	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	166.6	-178.3	-157.6	-99.1	0	0	0	110.9	C514 I526 C530 H531	C514-Y528 PolarHBondContact N-O 3.21Å; C514-Y528 PolarHBondContact O-N 2.69Å; I526-Y528 HydrophobicContact CD1-CD2 4.48Å; Y528-C530 PolarHBondContact O-N 3.44Å; Y528-H531 AromaticContact CD1-CD2 3.69Å
529	D	97.3	Very high	93.6	Very high	92 Å²	92	59.5 Å²	59.5	49%	0.492	33%	0.329	S	S	.	.			trans	-60	136	174.1	-66.3	-35.9	0	0	0	109.9	L513 H531 Q536	L513-D529 WeakPolarHBondContact CD2-OD1 3.33Å; D529-H531 PolarHBondContact O-CD2 3.43Å; D529-H531 PolarHBondContact O-N 2.91Å; D529-Q536 PolarHBondContact O-NE2 2.99Å
530	C	97.1	Very high	93.9	Very high	32 Å²	32	55.2 Å²	55.2	22%	0.216	30%	0.301	C	S	.	.			trans	-67	108	-176.3	-63.4	0	0	0	0	111.2	C514 Y528 Y532	C514-C530 HydrophobicContact CB-CB 3.99Å; C514-C530 WeakPolarHBondContact CB-SG 3.36Å; C514-C530 PolarHBondContact N-SG 2.8Å; C514-C530 VanDerWaalsContact N-SG 3.35Å; C514-C530 WeakPolarHBondContact SG-CB 3.44Å; C514-C530 CovalentContact SG-SG 2.05Å; C514-C530 PolarHBondContact SG-SG 2.93Å; Y528-C530 PolarHBondContact O-N 3.44Å; C530-Y532 HydrophobicContact CB-CE2 3.78Å; C530-Y532 WeakPolarHBondContact O-CE2 3.48Å
531	H	94.9	Very high	94.4	Very high	56 Å²	56	53.2 Å²	53.2	26%	0.259	28%	0.282	S	S	.	.			trans	-116.2	-6.4	177.8	59.5	67.3	0	0	0	113.7	D516 Y528 D529 Y533 Q536	D516-H531 IonicContact OD2-CE1 3.64Å; D516-H531 PolarHBondContact OD2-CE1 3.15Å; D516-H531 IonicContact OD2-NE2 3.95Å; D516-H531 PolarHBondContact OD2-NE2 2.91Å; D516-H531 VanDerWaalsContact OD2-NE2 3.16Å; Y528-H531 AromaticContact CD1-CD2 3.69Å; D529-H531 PolarHBondContact O-CD2 3.43Å; D529-H531 PolarHBondContact O-N 2.91Å; H531-Y533 HydrophobicContact CB-CD2 3.91Å; H531-Y533 HydrophobicContact CB-CE2 4.22Å; H531-Y533 AromaticContact CG-CD2 3.89Å; H531-Y533 WeakPolarHBondContact ND1-CB 3.33Å; H531-Y533 AromaticContact ND1-CD2 3.41Å; H531-Y533 WeakPolarHBondContact ND1-CD2 3.37Å; H531-Y533 AromaticContact ND1-CG 3.85Å; H531-Y533 PolarHBondContact ND1-N 3.05Å; H531-Y533 WeakPolarHBondContact O-CD2 3.4Å; H531-Y533 PolarHBondContact O-N 2.83Å; H531-Y533 VanDerWaalsContact O-N 3.11Å; H531-Q536 PolarHBondContact CD2-NE2 2.6Å; H531-Q536 VanDerWaalsContact CE1-CD 3.42Å; H531-Q536 VanDerWaalsContact CE1-CG 3.4Å; H531-Q536 WeakPolarHBondContact CE1-CG 3.47Å; H531-Q536 PolarHBondContact NE2-NE2 2.8Å; H531-Q536 VanDerWaalsContact NE2-NE2 3.18Å
532	Y	92.3	Very high	94.8	Very high	111 Å²	111	48.5 Å²	48.5	44%	0.435	26%	0.257	S	S	.	.			trans	58.4	29.5	169	-48.2	-92.4	0	0	0	114.5	A505 C530 M537	A505-Y532 HydrophobicContact CB-CD1 3.39Å; A505-Y532 HydrophobicContact CB-CE1 3.64Å; A505-Y532 HydrophobicContact CB-CG 4.38Å; C530-Y532 HydrophobicContact CB-CE2 3.78Å; C530-Y532 WeakPolarHBondContact O-CE2 3.48Å; Y532-M537 WeakPolarHBondContact O-CE 3.35Å
533	Y	90.3	Very high	95.2	Very high	167 Å²	167	49.4 Å²	49.4	66%	0.655	26%	0.256	S	S	*	.	S	Bend	trans	-97.3	169.4	172.7	-65.9	-59.6	0	0	0	110.5	H531 P535 Q536 M537	H531-Y533 HydrophobicContact CB-CD2 3.91Å; H531-Y533 HydrophobicContact CB-CE2 4.22Å; H531-Y533 AromaticContact CG-CD2 3.89Å; H531-Y533 WeakPolarHBondContact ND1-CB 3.33Å; H531-Y533 AromaticContact ND1-CD2 3.41Å; H531-Y533 WeakPolarHBondContact ND1-CD2 3.37Å; H531-Y533 AromaticContact ND1-CG 3.85Å; H531-Y533 PolarHBondContact ND1-N 3.05Å; H531-Y533 WeakPolarHBondContact O-CD2 3.4Å; H531-Y533 PolarHBondContact O-N 2.83Å; H531-Y533 VanDerWaalsContact O-N 3.11Å; Y533-P535 VanDerWaalsContact C-N 3.28Å; Y533-Q536 PolarHBondContact O-N 3.27Å; Y533-M537 VanDerWaalsContact O-CE 3.3Å; Y533-M537 WeakPolarHBondContact O-CE 3.48Å
534	G	90.4	Very high	95.4	Very high	38 Å²	38	46.5 Å²	46.5	39%	0.392	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-39.1	-45.9	-177.4	0	0	0	0	0	116	Q536 M537 G549	G534-Q536 PolarHBondContact O-N 3.49Å; G534-M537 WeakPolarHBondContact O-CB 3.09Å; G534-M537 WeakPolarHBondContact O-CG 3.17Å; G534-M537 PolarHBondContact O-N 2.97Å; G534-M537 VanDerWaalsContact O-N 3.12Å; G534-G549 CarbonylContact O-C 3.44Å
535	P	95.3	Very high	95.6	Very high	43 Å²	43	45 Å²	45	28%	0.279	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-57.3	-28.1	176.9	-30.2	38.8	0	0	0	116.1	D516 Q517 Y533	D516-P535 WeakPolarHBondContact OD1-CB 3.39Å; D516-P535 WeakPolarHBondContact OD2-CB 3.41Å; Q517-P535 HydrophobicContact CG-CB 3.76Å; Q517-P535 PolarHBondContact N-O 3.08Å; Y533-P535 VanDerWaalsContact C-N 3.28Å
536	Q	96.3	Very high	95.6	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-97.9	3.8	179.3	-68.5	-171.6	-16	0	0	113.8	A505 I515 D516 D529 H531 Y533 G534 A538	A505-Q536 WeakPolarHBondContact CA-O 3.43Å; I515-Q536 WeakPolarHBondContact O-CG 3.49Å; D516-Q536 HydrophobicContact CB-CG 3.9Å; D516-Q536 WeakPolarHBondContact OD2-CG 3.5Å; D529-Q536 PolarHBondContact O-NE2 2.99Å; H531-Q536 PolarHBondContact CD2-NE2 2.6Å; H531-Q536 VanDerWaalsContact CE1-CD 3.42Å; H531-Q536 VanDerWaalsContact CE1-CG 3.4Å; H531-Q536 WeakPolarHBondContact CE1-CG 3.47Å; H531-Q536 PolarHBondContact NE2-NE2 2.8Å; H531-Q536 VanDerWaalsContact NE2-NE2 3.18Å; Y533-Q536 PolarHBondContact O-N 3.27Å; G534-Q536 PolarHBondContact O-N 3.49Å; Q536-A538 PolarHBondContact O-N 2.92Å
537	M	96.1	Very high	95.7	Very high	10 Å²	10	43 Å²	43	5%	0.049	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	132.5	175.5	-63.7	-59.5	123.4	0	0	109.6	N455 Y532 Y533 G534 Y539 I548 G549	N455-M537 HydrophobicContact CB-CE 4.46Å; N455-M537 HydrophobicContact CB-SD 3.68Å; N455-M537 PolarHBondContact ND2-SD 3.14Å; Y532-M537 WeakPolarHBondContact O-CE 3.35Å; Y533-M537 VanDerWaalsContact O-CE 3.3Å; Y533-M537 WeakPolarHBondContact O-CE 3.48Å; G534-M537 WeakPolarHBondContact O-CB 3.09Å; G534-M537 WeakPolarHBondContact O-CG 3.17Å; G534-M537 PolarHBondContact O-N 2.97Å; G534-M537 VanDerWaalsContact O-N 3.12Å; M537-Y539 HydrophobicContact CB-CE2 3.77Å; M537-I548 CarbonylContact O-C 3.2Å; M537-G549 WeakPolarHBondContact O-CA 3.43Å; M537-G549 PolarHBondContact O-N 2.89Å
538	A	97.3	Very high	95.7	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	151.8	170.5	0	0	0	0	0	109.7	Y503 G504 L506 Q536 M546 Y547 I548 I625	Y503-A538 CarbonylContact C-O 3.5Å; Y503-A538 WeakPolarHBondContact CA-O 3.43Å; G504-A538 PolarHBondContact N-O 3.46Å; G504-A538 WeakPolarHBondContact O-CB 3.49Å; G504-A538 PolarHBondContact O-N 2.88Å; L506-A538 HydrophobicContact CB-CB 3.73Å; L506-A538 HydrophobicContact CD2-CB 4.49Å; Q536-A538 PolarHBondContact O-N 2.92Å; A538-M546 HydrophobicContact CB-SD 4.16Å; A538-Y547 CarbonylContact C-O 3.57Å; A538-Y547 WeakPolarHBondContact CA-O 3.43Å; A538-I548 HydrophobicContact CB-CD1 3.82Å; A538-I625 HydrophobicContact CB-CD1 3.96Å
539	Y	97.3	Very high	95.5	Very high	6 Å²	6	36.3 Å²	36.3	2%	0.024	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	116	177.1	-55.9	-96.1	0	0	0	108.9	L452 L500 M537 Y547 G549 I551	L452-Y539 PolarHBondContact O-OH 3.44Å; L500-Y539 HydrophobicContact CD1-CD1 4.03Å; M537-Y539 HydrophobicContact CB-CE2 3.77Å; Y539-Y547 PolarHBondContact N-O 3.33Å; Y539-Y547 PolarHBondContact O-N 3.4Å; Y539-G549 WeakPolarHBondContact CE2-O 3.33Å; Y539-I551 HydrophobicContact CD1-CB 4.34Å; Y539-I551 HydrophobicContact CD1-CD1 4.04Å; Y539-I551 HydrophobicContact CD1-CG2 4.35Å; Y539-I551 HydrophobicContact CD2-CB 3.88Å; Y539-I551 HydrophobicContact CD2-CG2 4.45Å; Y539-I551 HydrophobicContact CE1-CB 4.12Å; Y539-I551 HydrophobicContact CE1-CD1 4.44Å; Y539-I551 HydrophobicContact CE1-CG2 3.71Å; Y539-I551 HydrophobicContact CE2-CB 3.65Å; Y539-I551 HydrophobicContact CE2-CG2 3.84Å; Y539-I551 HydrophobicContact CG-CB 4.24Å; Y539-I551 HydrophobicContact CG-CD1 4.14Å; Y539-I551 VanDerWaalsContact CZ-CG2 3.43Å
540	Y	97.4	Very high	95	Very high	10 Å²	10	34 Å²	34	4%	0.039	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	125.2	-179.3	-178.1	-126.5	0	0	0	110.6	L501 A502 M546 W589 F591 F632	L501-Y540 HydrophobicContact CB-CD1 3.95Å; L501-Y540 HydrophobicContact CB-CE1 4.46Å; L501-Y540 HydrophobicContact CD1-CD1 4.02Å; L501-Y540 HydrophobicContact CD1-CE1 3.7Å; L501-Y540 PolarHBondContact N-O 3.33Å; A502-Y540 PolarHBondContact N-O 3.07Å; A502-Y540 PolarHBondContact O-N 3.4Å; Y540-M546 HydrophobicContact CD2-CE 3.58Å; Y540-M546 HydrophobicContact CD2-SD 4.36Å; Y540-M546 HydrophobicContact CE2-CE 4.44Å; Y540-M546 HydrophobicContact CG-CE 3.9Å; Y540-W589 PolarHBondContact OH-O 2.89Å; Y540-F591 AromaticContact CD1-CD1 3.86Å; Y540-F591 HydrophobicContact CD1-CD1 3.86Å; Y540-F591 HydrophobicContact CD2-CD1 4.4Å; Y540-F591 HydrophobicContact CE1-CB 4.08Å; Y540-F591 HydrophobicContact CE1-CD1 4.1Å; Y540-F591 HydrophobicContact CE2-CB 3.97Å; Y540-F591 HydrophobicContact CG-CD1 4.02Å; Y540-F591 PolarHBondContact OH-N 3.48Å; Y540-F632 HydrophobicContact CD1-CD2 4.15Å; Y540-F632 HydrophobicContact CD1-CE1 4.26Å; Y540-F632 AromaticContact CD1-CE2 3.71Å; Y540-F632 HydrophobicContact CD1-CE2 3.71Å; Y540-F632 AromaticContact CD1-CZ 3.76Å; Y540-F632 HydrophobicContact CD1-CZ 3.76Å; Y540-F632 AromaticContact CE1-CD2 3.67Å; Y540-F632 HydrophobicContact CE1-CD2 3.67Å; Y540-F632 AromaticContact CE1-CE2 3.61Å; Y540-F632 HydrophobicContact CE1-CE2 3.61Å; Y540-F632 HydrophobicContact CE1-CG 4.2Å; Y540-F632 HydrophobicContact CE1-CZ 4.13Å
541	R	96	Very high	94.9	Very high	57 Å²	57	33.3 Å²	33.3	22%	0.215	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	152.7	-177.9	-69	-172.9	73.4	-141.7	10.9	112.6	N499 L500 T543 G544 E545 Y547	N499-R541 WeakPolarHBondContact O-CA 3.04Å; L500-R541 HydrophobicContact CD2-CG 3.77Å; R541-T543 PolarHBondContact NH1-OG1 3.37Å; R541-T543 PolarHBondContact O-N 3.13Å; R541-T543 VanDerWaalsContact O-N 3.15Å; R541-G544 WeakPolarHBondContact O-CA 3.18Å; R541-G544 PolarHBondContact O-N 2.87Å; R541-E545 WeakPolarHBondContact CB-OE2 3.21Å; R541-E545 IonicContact CZ-OE2 2.72Å; R541-E545 PolarHBondContact N-O 2.84Å; R541-E545 IonicContact NE-OE2 3.29Å; R541-E545 IonicContact NH1-OE1 3.4Å; R541-E545 PolarHBondContact NH1-OE1 2.92Å; R541-E545 IonicContact NH1-OE2 2.96Å; R541-E545 PolarHBondContact NH1-OE2 2.87Å; R541-Y547 WeakPolarHBondContact CD-OH 3.48Å; R541-Y547 HydrophobicContact CG-CE2 4.26Å; R541-Y547 PolarHBondContact NE-OH 3.18Å; R541-Y547 PolarHBondContact NH1-OH 3.09Å
542	G	95.3	Very high	94.8	Very high	33 Å²	33	35 Å²	35	34%	0.34	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-25.8	173.9	0	0	0	0	0	114.2	N499 G544	N499-G542 PolarHBondContact O-N 3.38Å; G542-G544 VanDerWaalsContact C-N 3.3Å
543	T	94.6	Very high	95	Very high	58 Å²	58	30.2 Å²	30.2	36%	0.356	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-14.3	174.3	29.7	0	0	0	0	113.5	R541 E545 Y588 R600	R541-T543 PolarHBondContact NH1-OG1 3.37Å; R541-T543 PolarHBondContact O-N 3.13Å; R541-T543 VanDerWaalsContact O-N 3.15Å; T543-E545 WeakPolarHBondContact CB-OE2 3.48Å; T543-E545 PolarHBondContact OG1-OE2 2.78Å; T543-Y588 WeakPolarHBondContact O-CD1 3.29Å; T543-R600 PolarHBondContact O-NH1 2.05Å
544	G	96.2	Very high	95.2	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	14%	0.14	C	C	.	.	S	Bend	trans	101.3	0.6	177.2	0	0	0	0	0	114.7	R541 G542 Y588 W589	R541-G544 WeakPolarHBondContact O-CA 3.18Å; R541-G544 PolarHBondContact O-N 2.87Å; G542-G544 VanDerWaalsContact C-N 3.3Å; G544-Y588 WeakPolarHBondContact O-CA 3.41Å; G544-W589 PolarHBondContact O-N 3.13Å
545	E	96.9	Very high	95.4	Very high	22 Å²	22	25.9 Å²	25.9	10%	0.103	14%	0.144	C	C	.	.	B	Isolated β-bridge	trans	-71.2	142.8	171.3	-52.5	100.4	148.5	0	0	110.7	R541 T543 Y547 L587 Y588	R541-E545 WeakPolarHBondContact CB-OE2 3.21Å; R541-E545 IonicContact CZ-OE2 2.72Å; R541-E545 PolarHBondContact N-O 2.84Å; R541-E545 IonicContact NE-OE2 3.29Å; R541-E545 IonicContact NH1-OE1 3.4Å; R541-E545 PolarHBondContact NH1-OE1 2.92Å; R541-E545 IonicContact NH1-OE2 2.96Å; R541-E545 PolarHBondContact NH1-OE2 2.87Å; T543-E545 WeakPolarHBondContact CB-OE2 3.48Å; T543-E545 PolarHBondContact OG1-OE2 2.78Å; E545-Y547 HydrophobicContact CB-CD1 4.3Å; E545-Y547 HydrophobicContact CB-CE1 3.82Å; E545-L587 HydrophobicContact CG-CD1 3.51Å; E545-Y588 HydrophobicContact CG-CD1 4.11Å; E545-Y588 HydrophobicContact CG-CE1 3.99Å
546	M	97.5	Very high	95.3	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	110	172.1	-174.6	68.5	71.1	0	0	108.4	L506 A538 Y540 I548 L562 F591 L597	L506-M546 HydrophobicContact CD2-CE 4.11Å; L506-M546 HydrophobicContact CD2-CG 4.38Å; L506-M546 HydrophobicContact CD2-SD 4.15Å; A538-M546 HydrophobicContact CB-SD 4.16Å; Y540-M546 HydrophobicContact CD2-CE 3.58Å; Y540-M546 HydrophobicContact CD2-SD 4.36Å; Y540-M546 HydrophobicContact CE2-CE 4.44Å; Y540-M546 HydrophobicContact CG-CE 3.9Å; M546-I548 HydrophobicContact CG-CD1 3.73Å; M546-I548 HydrophobicContact CG-CG1 4.44Å; M546-L562 HydrophobicContact CB-CB 4.18Å; M546-L562 HydrophobicContact CG-CB 4.46Å; M546-L562 HydrophobicContact CG-CD2 4.43Å; M546-L562 PolarHBondContact O-N 2.75Å; M546-F591 HydrophobicContact CE-CD1 3.88Å; M546-F591 HydrophobicContact CE-CE1 4.35Å; M546-F591 HydrophobicContact CE-CG 4.38Å; M546-L597 HydrophobicContact CE-CD1 4.19Å
547	Y	97.3	Very high	95.1	Very high	24 Å²	24	32.2 Å²	32.2	9%	0.094	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	136.7	172.8	-52.9	-24.4	0	0	0	109.4	A538 Y539 R541 E545 I551 N559 R560 C577	A538-Y547 CarbonylContact C-O 3.57Å; A538-Y547 WeakPolarHBondContact CA-O 3.43Å; Y539-Y547 PolarHBondContact N-O 3.33Å; Y539-Y547 PolarHBondContact O-N 3.4Å; R541-Y547 WeakPolarHBondContact CD-OH 3.48Å; R541-Y547 HydrophobicContact CG-CE2 4.26Å; R541-Y547 PolarHBondContact NE-OH 3.18Å; R541-Y547 PolarHBondContact NH1-OH 3.09Å; E545-Y547 HydrophobicContact CB-CD1 4.3Å; E545-Y547 HydrophobicContact CB-CE1 3.82Å; Y547-I551 HydrophobicContact CD2-CD1 4.32Å; Y547-I551 HydrophobicContact CD2-CG1 4.46Å; Y547-N559 HydrophobicContact CD1-CB 3.98Å; Y547-N559 HydrophobicContact CD2-CB 3.88Å; Y547-N559 HydrophobicContact CE1-CB 4.02Å; Y547-N559 HydrophobicContact CE2-CB 3.88Å; Y547-N559 HydrophobicContact CG-CB 3.91Å; Y547-R560 VanDerWaalsContact CA-O 3.27Å; Y547-R560 WeakPolarHBondContact CA-O 3.41Å; Y547-C577 WeakPolarHBondContact CE1-SG 3.39Å
548	I	96.6	Very high	94.9	Very high	3 Å²	3	33.4 Å²	33.4	2%	0.015	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	135	177.4	-52.2	-64.7	0	0	0	109.1	L506 I515 Q517 M537 A538 M546 R560 L562 L574	L506-I548 HydrophobicContact CD2-CD1 4.48Å; I515-I548 HydrophobicContact CD1-CD1 3.91Å; I515-I548 HydrophobicContact CD1-CG1 4.1Å; I515-I548 HydrophobicContact CD1-CG2 4.44Å; I515-I548 HydrophobicContact CG1-CD1 4.4Å; I515-I548 HydrophobicContact CG1-CG2 4.16Å; I515-I548 HydrophobicContact CG2-CD1 3.93Å; Q517-I548 HydrophobicContact CB-CG2 4.3Å; M537-I548 CarbonylContact O-C 3.2Å; A538-I548 HydrophobicContact CB-CD1 3.82Å; M546-I548 HydrophobicContact CG-CD1 3.73Å; M546-I548 HydrophobicContact CG-CG1 4.44Å; I548-R560 PolarHBondContact N-O 2.72Å; I548-R560 VanDerWaalsContact N-O 3.1Å; I548-L562 HydrophobicContact CG1-CB 4.04Å; I548-L574 HydrophobicContact CB-CD1 3.78Å; I548-L574 HydrophobicContact CB-CD2 4.23Å; I548-L574 HydrophobicContact CG1-CD1 4.23Å; I548-L574 HydrophobicContact CG2-CD2 4.33Å
549	G	93.2	Very high	94.8	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.01	18%	0.178	C	C	.	.	S	Bend	trans	89.2	-170.2	-167.9	0	0	0	0	0	112.2	G534 M537 Y539	G534-G549 CarbonylContact O-C 3.44Å; M537-G549 WeakPolarHBondContact O-CA 3.43Å; M537-G549 PolarHBondContact O-N 2.89Å; Y539-G549 WeakPolarHBondContact CE2-O 3.33Å
550	G	87.8	Confident	94.8	Very high	42 Å²	42	35.7 Å²	35.7	43%	0.433	18%	0.184	S	C	.	.	S	Bend	trans	-63.1	138.3	178.8	0	0	0	0	0	113
551	I	93.4	Very high	94.7	Very high	18 Å²	18	35.2 Å²	35.2	9%	0.092	18%	0.182	C	C	.	.	P	Polyproline II helix	trans	-78	142.9	174.8	-172	166.2	0	0	0	111	W497 L500 Y539 Y547	W497-I551 HydrophobicContact CB-CD1 4.2Å; W497-I551 HydrophobicContact CD2-CD1 3.61Å; W497-I551 HydrophobicContact CD2-CG1 4.04Å; W497-I551 HydrophobicContact CD2-CG2 4.13Å; W497-I551 HydrophobicContact CE3-CD1 4.24Å; W497-I551 HydrophobicContact CE3-CG2 4.05Å; W497-I551 HydrophobicContact CG-CD1 3.58Å; W497-I551 HydrophobicContact CG-CG1 4.3Å; W497-I551 HydrophobicContact CH2-CB 4.47Å; W497-I551 HydrophobicContact CH2-CG2 3.26Å; W497-I551 HydrophobicContact CZ2-CB 4.13Å; W497-I551 HydrophobicContact CZ2-CD1 4.43Å; W497-I551 HydrophobicContact CZ2-CG1 3.95Å; W497-I551 HydrophobicContact CZ2-CG2 3.35Å; W497-I551 HydrophobicContact CZ3-CG2 3.64Å; L500-I551 HydrophobicContact CD1-CD1 4.11Å; Y539-I551 HydrophobicContact CD1-CB 4.34Å; Y539-I551 HydrophobicContact CD1-CD1 4.04Å; Y539-I551 HydrophobicContact CD1-CG2 4.35Å; Y539-I551 HydrophobicContact CD2-CB 3.88Å; Y539-I551 HydrophobicContact CD2-CG2 4.45Å; Y539-I551 HydrophobicContact CE1-CB 4.12Å; Y539-I551 HydrophobicContact CE1-CD1 4.44Å; Y539-I551 HydrophobicContact CE1-CG2 3.71Å; Y539-I551 HydrophobicContact CE2-CB 3.65Å; Y539-I551 HydrophobicContact CE2-CG2 3.84Å; Y539-I551 HydrophobicContact CG-CB 4.24Å; Y539-I551 HydrophobicContact CG-CD1 4.14Å; Y539-I551 VanDerWaalsContact CZ-CG2 3.43Å; Y547-I551 HydrophobicContact CD2-CD1 4.32Å; Y547-I551 HydrophobicContact CD2-CG1 4.46Å
552	K	94.3	Very high	94.8	Very high	92 Å²	92	32.5 Å²	32.5	40%	0.4	17%	0.172	S	C	.	.	P	Polyproline II helix	trans	-87.3	129.3	-178.2	-58.4	-54.2	-177.8	-172.9	0	111.4	W497 N557 D558 N559	W497-K552 PolarHBondContact NE1-O 2.68Å; K552-N557 HydrophobicContact CB-CB 3.71Å; K552-N557 HydrophobicContact CD-CB 4.39Å; K552-N557 HydrophobicContact CG-CB 3.9Å; K552-D558 WeakPolarHBondContact CG-O 3.42Å; K552-N559 WeakPolarHBondContact CG-OD1 3.37Å; K552-N559 PolarHBondContact N-OD1 2.94Å
553	S	95.5	Very high	94.8	Very high	10 Å²	10	31 Å²	31	7%	0.07	16%	0.156	C	C	.	.			trans	-81.6	-8.4	-177.2	-57.2	0	0	0	0	114.8	W335 L494 D495 W497	W335-S553 PolarHBondContact N-OG 2.9Å; W335-S553 VanDerWaalsContact N-OG 3.16Å; L494-S553 WeakPolarHBondContact CD1-O 3.45Å; D495-S553 PolarHBondContact N-O 3.33Å; W497-S553 WeakPolarHBondContact CZ2-OG 3.47Å
554	H	95.8	Very high	94.8	Very high	7 Å²	7	28.3 Å²	28.3	3%	0.032	14%	0.139	C	C	.	.	B	Isolated β-bridge	trans	-126.5	141.7	-171.2	-56.9	73.7	0	0	0	112.6	F333 M340 E342 Y491 K493 Y556 N557	F333-H554 PolarHBondContact O-NE2 2.94Å; M340-H554 PolarHBondContact SD-CE1 3.36Å; E342-H554 IonicContact OE1-CD2 2.68Å; Y491-H554 AromaticContact CZ-NE2 3.9Å; Y491-H554 PolarHBondContact OH-CD2 2.61Å; Y491-H554 PolarHBondContact OH-NE2 2.94Å; K493-H554 VanDerWaalsContact O-CA 3.31Å; K493-H554 WeakPolarHBondContact O-CA 3.15Å; H554-Y556 HydrophobicContact CB-CD1 3.91Å; H554-Y556 HydrophobicContact CB-CE1 3.42Å; H554-Y556 VanDerWaalsContact CB-CE1 3.42Å; H554-Y556 HydrophobicContact CB-CE2 4.15Å; H554-Y556 HydrophobicContact CB-CG 4.46Å; H554-Y556 AromaticContact CD2-CE1 3.73Å; H554-Y556 AromaticContact CD2-CZ 3.83Å; H554-Y556 PolarHBondContact CD2-OH 2.84Å; H554-Y556 AromaticContact CG-CE1 3.84Å; H554-Y556 AromaticContact CG-CZ 3.77Å; H554-Y556 PolarHBondContact O-N 2.9Å; H554-N557 WeakPolarHBondContact O-CB 3.15Å; H554-N557 PolarHBondContact O-N 2.77Å
555	K	93.6	Very high	94.3	Very high	108 Å²	108	32.6 Å²	32.6	47%	0.47	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-25	-173.3	-65.1	-179.6	-176.1	164	0	114.7	P492 K493 D495	P492-K555 WeakPolarHBondContact O-CD 3.27Å; P492-K555 WeakPolarHBondContact O-CE 3.12Å; P492-K555 PolarHBondContact O-NZ 3.31Å; K493-K555 PolarHBondContact O-N 2.79Å; D495-K555 HydrophobicContact CB-CG 3.62Å
556	Y	92.3	Very high	93.3	Very high	111 Å²	111	34 Å²	34	44%	0.435	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-15.6	178	57.6	-97.6	0	0	0	112.9	E342 K493 H554	E342-Y556 WeakPolarHBondContact OE1-CE1 3.47Å; E342-Y556 PolarHBondContact OE1-OH 2.73Å; K493-Y556 HydrophobicContact CB-CD1 4.48Å; K493-Y556 HydrophobicContact CB-CE1 4.3Å; K493-Y556 HydrophobicContact CD-CE1 4.3Å; H554-Y556 HydrophobicContact CB-CD1 3.91Å; H554-Y556 HydrophobicContact CB-CE1 3.42Å; H554-Y556 VanDerWaalsContact CB-CE1 3.42Å; H554-Y556 HydrophobicContact CB-CE2 4.15Å; H554-Y556 HydrophobicContact CB-CG 4.46Å; H554-Y556 AromaticContact CD2-CE1 3.73Å; H554-Y556 AromaticContact CD2-CZ 3.83Å; H554-Y556 PolarHBondContact CD2-OH 2.84Å; H554-Y556 AromaticContact CG-CE1 3.84Å; H554-Y556 AromaticContact CG-CZ 3.77Å; H554-Y556 PolarHBondContact O-N 2.9Å
557	N	92.8	Very high	92	Very high	64 Å²	64	37.7 Å²	37.7	34%	0.342	19%	0.194	S	C	.	.	S	Bend	trans	-80.8	164.2	172.6	-67.9	-32.4	0	0	0	110.2	K552 H554	K552-N557 HydrophobicContact CB-CB 3.71Å; K552-N557 HydrophobicContact CD-CB 4.39Å; K552-N557 HydrophobicContact CG-CB 3.9Å; H554-N557 WeakPolarHBondContact O-CB 3.15Å; H554-N557 PolarHBondContact O-N 2.77Å
558	D	92.8	Very high	90.5	Very high	35 Å²	35	46.7 Å²	46.7	19%	0.187	23%	0.233	C	C	.	.			trans	-122.7	139.5	173.9	-160.3	13.8	0	0	0	110.1	K552 N576 C577 K578	K552-D558 WeakPolarHBondContact CG-O 3.42Å; D558-N576 HydrophobicContact CB-CB 4.37Å; D558-N576 WeakPolarHBondContact OD2-CB 3.43Å; D558-C577 PolarHBondContact OD2-N 2.93Å; D558-C577 VanDerWaalsContact OD2-N 3.11Å; D558-K578 HydrophobicContact CB-CD 4.38Å; D558-K578 WeakPolarHBondContact OD2-CB 3.46Å; D558-K578 WeakPolarHBondContact OD2-CG 3.3Å; D558-K578 PolarHBondContact OD2-N 2.83Å
559	N	94.9	Very high	88.8	Confident	15 Å²	15	53 Å²	53	8%	0.08	26%	0.261	C	S	.	.			trans	-79.3	161.5	175.1	-72	-62.1	0	0	0	109.8	Y547 K552 N576 C577	Y547-N559 HydrophobicContact CD1-CB 3.98Å; Y547-N559 HydrophobicContact CD2-CB 3.88Å; Y547-N559 HydrophobicContact CE1-CB 4.02Å; Y547-N559 HydrophobicContact CE2-CB 3.88Å; Y547-N559 HydrophobicContact CG-CB 3.91Å; K552-N559 WeakPolarHBondContact CG-OD1 3.37Å; K552-N559 PolarHBondContact N-OD1 2.94Å; N559-N576 WeakPolarHBondContact O-CA 3.15Å; N559-C577 PolarHBondContact O-N 3.47Å; N559-C577 PolarHBondContact O-SG 3.21Å
560	R	95.9	Very high	88.2	Confident	40 Å²	40	56.4 Å²	56.4	15%	0.151	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	113.7	176.1	-61.8	-173.7	69	-169.7	-1	110	G522 Y547 I548 L574 F575	G522-R560 PolarHBondContact O-NH2 2.76Å; Y547-R560 VanDerWaalsContact CA-O 3.27Å; Y547-R560 WeakPolarHBondContact CA-O 3.41Å; I548-R560 PolarHBondContact N-O 2.72Å; I548-R560 VanDerWaalsContact N-O 3.1Å; R560-L574 HydrophobicContact CB-CD1 3.69Å; R560-L574 HydrophobicContact CB-CG 3.96Å; R560-L574 PolarHBondContact NH2-O 2.87Å; R560-F575 CarbonylContact C-O 3.54Å; R560-F575 VanDerWaalsContact CA-O 3.3Å; R560-F575 WeakPolarHBondContact CA-O 3.4Å
561	C	96.6	Very high	88.4	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	133.5	-179.5	-80.9	0	0	0	0	111.2	T563 L574 F575 C577	C561-T563 HydrophobicContact CB-CG2 4.39Å; C561-L574 WeakPolarHBondContact O-CA 3.23Å; C561-F575 PolarHBondContact N-O 3.16Å; C561-F575 PolarHBondContact O-N 3.05Å; C561-C577 HydrophobicContact CB-CB 4.06Å; C561-C577 WeakPolarHBondContact CB-SG 3.36Å; C561-C577 PolarHBondContact N-SG 2.98Å; C561-C577 VanDerWaalsContact N-SG 3.37Å; C561-C577 WeakPolarHBondContact SG-CB 3.22Å; C561-C577 CovalentContact SG-SG 2.04Å; C561-C577 PolarHBondContact SG-SG 3.43Å
562	L	97.6	Very high	88.4	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	130.8	163.5	-179.3	69.6	0	0	0	109.2	I515 P525 M546 I548 P572 G573 W589 L597 L606	I515-L562 HydrophobicContact CD1-CD1 4.16Å; P525-L562 HydrophobicContact CG-CD1 3.94Å; M546-L562 HydrophobicContact CB-CB 4.18Å; M546-L562 HydrophobicContact CG-CB 4.46Å; M546-L562 HydrophobicContact CG-CD2 4.43Å; M546-L562 PolarHBondContact O-N 2.75Å; I548-L562 HydrophobicContact CG1-CB 4.04Å; L562-P572 HydrophobicContact CD1-CB 3.89Å; L562-G573 CarbonylContact C-O 3.55Å; L562-W589 HydrophobicContact CD2-CD2 4.4Å; L562-W589 HydrophobicContact CD2-CH2 4.39Å; L562-W589 HydrophobicContact CD2-CZ2 3.86Å; L562-W589 HydrophobicContact CG-CZ2 3.76Å; L562-W589 PolarHBondContact O-NE1 3.29Å; L562-L597 HydrophobicContact CD2-CD2 4.11Å; L562-L606 HydrophobicContact CD2-CD2 3.97Å
563	T	95.8	Very high	88.4	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	145	-171.8	54.7	0	0	0	0	112.5	C561 G573 F575 A580 M585 G586 L587 I615	C561-T563 HydrophobicContact CB-CG2 4.39Å; T563-G573 PolarHBondContact N-O 2.79Å; T563-G573 PolarHBondContact O-N 3.44Å; T563-G573 VanDerWaalsContact OG1-CA 3.29Å; T563-G573 WeakPolarHBondContact OG1-CA 3.34Å; T563-G573 PolarHBondContact OG1-O 2.75Å; T563-F575 WeakPolarHBondContact OG1-CD2 3.38Å; T563-A580 HydrophobicContact CG2-CB 3.58Å; T563-M585 HydrophobicContact CG2-CB 4.05Å; T563-M585 HydrophobicContact CG2-SD 4.17Å; T563-G586 WeakPolarHBondContact CA-O 3.13Å; T563-L587 HydrophobicContact CG2-CB 4.23Å; T563-I615 WeakPolarHBondContact O-CD1 3.41Å
564	D	94.2	Very high	88.4	Confident	2 Å²	2	54.9 Å²	54.9	1%	0.011	26%	0.261	C	S	.	.	B	Isolated β-bridge	trans	-94.3	119.5	158.7	-172.9	-12	0	0	0	109.7	G566 G586 W589 N599 T602 R604 I615	D564-G566 PolarHBondContact O-N 2.84Å; D564-G566 PolarHBondContact OD1-N 3.42Å; D564-G586 PolarHBondContact N-O 3.27Å; D564-G586 PolarHBondContact O-N 3.05Å; D564-W589 HydrophobicContact CB-CH2 4.47Å; D564-N599 HydrophobicContact CB-CB 4.38Å; D564-T602 HydrophobicContact CB-CG2 4.28Å; D564-T602 WeakPolarHBondContact OD2-CB 3.11Å; D564-T602 WeakPolarHBondContact OD2-CG2 3.23Å; D564-T602 PolarHBondContact OD2-OG1 2.81Å; D564-R604 VanDerWaalsContact CG-NH2 3.25Å; D564-R604 IonicContact OD1-CZ 3.64Å; D564-R604 IonicContact OD1-NE 3.16Å; D564-R604 IonicContact OD1-NH2 3.25Å; D564-R604 PolarHBondContact OD1-NH2 3.26Å; D564-R604 IonicContact OD2-CZ 3.91Å; D564-R604 IonicContact OD2-NE 2.79Å; D564-R604 PolarHBondContact OD2-NE 2.93Å; D564-R604 IonicContact OD2-NH2 3.2Å; D564-R604 PolarHBondContact OD2-NH2 2.71Å; D564-R604 VanDerWaalsContact OD2-NH2 3.09Å; D564-I615 HydrophobicContact CB-CD1 3.8Å; D564-I615 HydrophobicContact CB-CG2 4.49Å; D564-I615 WeakPolarHBondContact OD2-CG2 3.43Å
565	R	86.3	Confident	88.4	Confident	90 Å²	90	55.5 Å²	55.5	34%	0.34	26%	0.264	S	S	.	.			trans	-74.9	-9.7	179.3	-65.7	176.1	59.8	153.8	1.6	113.9	D523 E567 F575	D523-R565 IonicContact OD2-NH1 2.73Å; R565-E567 HydrophobicContact CB-CG 4.48Å; R565-E567 IonicContact CZ-OE1 3.09Å; R565-E567 IonicContact NE-OE1 3.58Å; R565-E567 PolarHBondContact NE-OE1 3.47Å; R565-E567 IonicContact NH2-OE1 3.48Å; R565-E567 PolarHBondContact NH2-OE1 2.56Å; R565-E567 IonicContact NH2-OE2 3.5Å; R565-E567 PolarHBondContact O-N 3.3Å; R565-F575 HydrophobicContact CG-CE2 4.37Å
566	G	74.9	Confident	88.4	Confident	53 Å²	53	53.8 Å²	53.8	55%	0.546	26%	0.26	S	S	.	.			trans	66.4	-3.7	-178.3	0	0	0	0	0	115.1	D564	D564-G566 PolarHBondContact O-N 2.84Å; D564-G566 PolarHBondContact OD1-N 3.42Å
567	E	71.5	Confident	88.6	Confident	76 Å²	76	49.3 Å²	49.3	36%	0.355	24%	0.244	S	C	.	.	S	Bend	trans	-73.4	159.2	172.4	-64	174.4	-142.8	0	0	110.2	R565 K569 R604	R565-E567 HydrophobicContact CB-CG 4.48Å; R565-E567 IonicContact CZ-OE1 3.09Å; R565-E567 IonicContact NE-OE1 3.58Å; R565-E567 PolarHBondContact NE-OE1 3.47Å; R565-E567 IonicContact NH2-OE1 3.48Å; R565-E567 PolarHBondContact NH2-OE1 2.56Å; R565-E567 IonicContact NH2-OE2 3.5Å; R565-E567 PolarHBondContact O-N 3.3Å; E567-K569 HydrophobicContact CB-CB 4.42Å; E567-K569 PolarHBondContact O-N 2.89Å; E567-K569 IonicContact OE2-NZ 2.63Å; E567-R604 PolarHBondContact O-NH2 2.66Å
568	K	64.3	Low	88.6	Confident	214 Å²	214	51 Å²	51	93%	0.93	25%	0.249	S	C	*	.	S	Bend	trans	-59.1	-5.8	170.5	-69.5	-174.1	179.1	-176.9	0	113.7
569	K	61.3	Low	88.7	Confident	135 Å²	135	52.2 Å²	52.2	59%	0.587	25%	0.253	S	S	*	.			trans	-76.7	124.1	177.5	-69.6	-179.4	-177.4	166.1	0	109.6	E567 K571	E567-K569 HydrophobicContact CB-CB 4.42Å; E567-K569 PolarHBondContact O-N 2.89Å; E567-K569 IonicContact OE2-NZ 2.63Å; K569-K571 VanDerWaalsContact C-N 3.27Å; K569-K571 PolarHBondContact O-N 3.24Å
570	T	81.7	Confident	88.6	Confident	72 Å²	72	51.5 Å²	51.5	44%	0.442	25%	0.249	S	C	.	.			trans	-79	4.4	-174.2	50	0	0	0	0	114.1	V614 I615	T570-V614 CarbonylContact O-C 3.58Å; T570-V614 VanDerWaalsContact O-C 3.31Å; T570-V614 WeakPolarHBondContact O-CA 3.21Å; T570-V614 VanDerWaalsContact O-CB 3.26Å; T570-V614 WeakPolarHBondContact O-CB 3.45Å; T570-I615 PolarHBondContact O-N 3.24Å
571	K	90.6	Very high	88.6	Confident	127 Å²	127	55 Å²	55	55%	0.552	27%	0.269	S	S	*	.			trans	-92.8	137.2	-179	-65.6	-173.6	179.2	-173.1	0	111.5	T524 K569	T524-K571 HydrophobicContact CG2-CB 4.37Å; T524-K571 HydrophobicContact CG2-CD 4.33Å; K569-K571 VanDerWaalsContact C-N 3.27Å; K569-K571 PolarHBondContact O-N 3.24Å
572	P	94.7	Very high	88.4	Confident	1 Å²	1	62.7 Å²	62.7	1%	0.006	31%	0.305	C	S	.	.			trans	-66	152.9	170	29.4	-35.6	0	0	0	111.8	P525 L562 L606 L613 I615	P525-P572 WeakPolarHBondContact CD-O 3.3Å; P525-P572 HydrophobicContact CG-CB 4.05Å; P525-P572 HydrophobicContact CG-CG 3.76Å; L562-P572 HydrophobicContact CD1-CB 3.89Å; P572-L606 HydrophobicContact CB-CD1 3.89Å; P572-L606 HydrophobicContact CG-CD1 4.01Å; P572-L613 WeakPolarHBondContact CD-O 3.14Å; P572-L613 HydrophobicContact CG-CB 3.75Å; P572-L613 HydrophobicContact CG-CD1 4.42Å; P572-I615 HydrophobicContact CB-CD1 3.81Å; P572-I615 HydrophobicContact CB-CG1 4.01Å
573	G	94.1	Very high	88.2	Confident	1 Å²	1	68.9 Å²	68.9	1%	0.01	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	154	171.5	0	0	0	0	0	112.2	D523 L562 T563	D523-G573 CarbonylContact O-C 3.31Å; D523-G573 WeakPolarHBondContact O-CA 3.25Å; L562-G573 CarbonylContact C-O 3.55Å; T563-G573 PolarHBondContact N-O 2.79Å; T563-G573 PolarHBondContact O-N 3.44Å; T563-G573 VanDerWaalsContact OG1-CA 3.29Å; T563-G573 WeakPolarHBondContact OG1-CA 3.34Å; T563-G573 PolarHBondContact OG1-O 2.75Å
574	L	95.6	Very high	88	Confident	1 Å²	1	71 Å²	71	1%	0.005	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	96.6	174.3	-176.7	62.2	0	0	0	109.3	Q517 D523 P525 I548 R560 C561	Q517-L574 HydrophobicContact CB-CD2 3.86Å; D523-L574 PolarHBondContact O-N 2.95Å; P525-L574 HydrophobicContact CB-CD2 4.38Å; P525-L574 HydrophobicContact CG-CB 4.34Å; I548-L574 HydrophobicContact CB-CD1 3.78Å; I548-L574 HydrophobicContact CB-CD2 4.23Å; I548-L574 HydrophobicContact CG1-CD1 4.23Å; I548-L574 HydrophobicContact CG2-CD2 4.33Å; R560-L574 HydrophobicContact CB-CD1 3.69Å; R560-L574 HydrophobicContact CB-CG 3.96Å; R560-L574 PolarHBondContact NH2-O 2.87Å; C561-L574 WeakPolarHBondContact O-CA 3.23Å
575	F	94.2	Very high	87.9	Confident	20 Å²	20	71.9 Å²	71.9	9%	0.088	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	161.6	-173.4	-63.8	-86.3	0	0	0	111.2	D523 R560 C561 T563 R565 C577 A580 M585	D523-F575 HydrophobicContact CB-CD1 4.28Å; D523-F575 HydrophobicContact CB-CE1 3.64Å; D523-F575 HydrophobicContact CB-CZ 3.78Å; D523-F575 VanDerWaalsContact OD2-CZ 3.27Å; D523-F575 WeakPolarHBondContact OD2-CZ 3.46Å; R560-F575 CarbonylContact C-O 3.54Å; R560-F575 VanDerWaalsContact CA-O 3.3Å; R560-F575 WeakPolarHBondContact CA-O 3.4Å; C561-F575 PolarHBondContact N-O 3.16Å; C561-F575 PolarHBondContact O-N 3.05Å; T563-F575 WeakPolarHBondContact OG1-CD2 3.38Å; R565-F575 HydrophobicContact CG-CE2 4.37Å; F575-C577 PolarHBondContact O-N 3.11Å; F575-A580 HydrophobicContact CB-CB 4.31Å; F575-M585 HydrophobicContact CD2-CE 3.95Å; F575-M585 HydrophobicContact CD2-SD 3.51Å; F575-M585 VanDerWaalsContact CD2-SD 3.51Å; F575-M585 HydrophobicContact CE1-CE 4.45Å; F575-M585 HydrophobicContact CE2-CE 3.87Å; F575-M585 HydrophobicContact CE2-SD 3.83Å; F575-M585 HydrophobicContact CG-CE 4.28Å; F575-M585 HydrophobicContact CG-SD 4.1Å; F575-M585 HydrophobicContact CZ-CE 4.15Å
576	N	95.2	Very high	88.2	Confident	73 Å²	73	67.7 Å²	67.7	39%	0.39	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.4	129.7	166.4	-76.6	-29	0	0	0	109.7	D558 N559 K578 E579 A580	D558-N576 HydrophobicContact CB-CB 4.37Å; D558-N576 WeakPolarHBondContact OD2-CB 3.43Å; N559-N576 WeakPolarHBondContact O-CA 3.15Å; N576-K578 VanDerWaalsContact C-N 3.28Å; N576-K578 PolarHBondContact O-N 3.41Å; N576-E579 HydrophobicContact CB-CB 4.05Å; N576-E579 WeakPolarHBondContact O-CB 2.99Å; N576-E579 PolarHBondContact O-N 3.12Å; N576-A580 PolarHBondContact O-N 2.96Å
577	C	95	Very high	89.2	Confident	16 Å²	16	65.6 Å²	65.6	11%	0.108	32%	0.319	C	S	.	.	H	α-helix	trans	-58.7	-38.7	-172.6	-65.7	0	0	0	0	112.7	Y547 D558 N559 C561 F575 E579 A580 M581	Y547-C577 WeakPolarHBondContact CE1-SG 3.39Å; D558-C577 PolarHBondContact OD2-N 2.93Å; D558-C577 VanDerWaalsContact OD2-N 3.11Å; N559-C577 PolarHBondContact O-N 3.47Å; N559-C577 PolarHBondContact O-SG 3.21Å; C561-C577 HydrophobicContact CB-CB 4.06Å; C561-C577 WeakPolarHBondContact CB-SG 3.36Å; C561-C577 PolarHBondContact N-SG 2.98Å; C561-C577 VanDerWaalsContact N-SG 3.37Å; C561-C577 WeakPolarHBondContact SG-CB 3.22Å; C561-C577 CovalentContact SG-SG 2.04Å; C561-C577 PolarHBondContact SG-SG 3.43Å; F575-C577 PolarHBondContact O-N 3.11Å; C577-E579 VanDerWaalsContact C-N 3.35Å; C577-E579 PolarHBondContact O-N 2.77Å; C577-A580 PolarHBondContact O-N 3.45Å; C577-M581 WeakPolarHBondContact O-CB 3.26Å; C577-M581 PolarHBondContact O-N 3.09Å
578	K	94.6	Very high	90.5	Very high	100 Å²	100	66.1 Å²	66.1	44%	0.435	32%	0.319	S	S	.	.	H	α-helix	trans	-63.7	-40.8	175.6	-64.6	169.2	-172.7	168.7	0	111.4	D558 N576 Q582	D558-K578 HydrophobicContact CB-CD 4.38Å; D558-K578 WeakPolarHBondContact OD2-CB 3.46Å; D558-K578 WeakPolarHBondContact OD2-CG 3.3Å; D558-K578 PolarHBondContact OD2-N 2.83Å; N576-K578 VanDerWaalsContact C-N 3.28Å; N576-K578 PolarHBondContact O-N 3.41Å; K578-Q582 WeakPolarHBondContact O-CB 3.45Å; K578-Q582 VanDerWaalsContact O-CG 3.25Å; K578-Q582 WeakPolarHBondContact O-CG 3.2Å; K578-Q582 PolarHBondContact O-N 3.11Å
579	E	94.2	Very high	92.1	Very high	60 Å²	60	56 Å²	56	28%	0.28	27%	0.274	S	S	.	.	H	α-helix	trans	-67.3	-46.4	176.8	-177.4	-169.5	167.3	0	0	111.4	N576 C577 M581 Q582 K583	N576-E579 HydrophobicContact CB-CB 4.05Å; N576-E579 WeakPolarHBondContact O-CB 2.99Å; N576-E579 PolarHBondContact O-N 3.12Å; C577-E579 VanDerWaalsContact C-N 3.35Å; C577-E579 PolarHBondContact O-N 2.77Å; E579-M581 VanDerWaalsContact C-N 3.29Å; E579-M581 PolarHBondContact O-N 2.8Å; E579-Q582 PolarHBondContact O-N 3.48Å; E579-K583 HydrophobicContact CG-CD 4.07Å; E579-K583 WeakPolarHBondContact O-CB 3.4Å; E579-K583 WeakPolarHBondContact O-CG 3.44Å; E579-K583 PolarHBondContact O-N 3.46Å; E579-K583 WeakPolarHBondContact OE1-CE 3.4Å; E579-K583 IonicContact OE1-NZ 3.66Å; E579-K583 PolarHBondContact OE1-NZ 2.73Å
580	A	93.5	Very high	93.8	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-57.7	-44.7	178.4	0	0	0	0	0	111.5	T563 F575 N576 C577 K583 G584 M585	T563-A580 HydrophobicContact CG2-CB 3.58Å; F575-A580 HydrophobicContact CB-CB 4.31Å; N576-A580 PolarHBondContact O-N 2.96Å; C577-A580 PolarHBondContact O-N 3.45Å; A580-K583 PolarHBondContact O-N 3.3Å; A580-G584 PolarHBondContact O-N 2.86Å; A580-M585 HydrophobicContact CB-CB 4.35Å; A580-M585 HydrophobicContact CB-SD 4.18Å; A580-M585 PolarHBondContact O-N 2.55Å
581	M	93.9	Very high	94.5	Very high	113 Å²	113	49.6 Å²	49.6	56%	0.557	24%	0.244	S	C	*	.	H	α-helix	trans	-62.9	-47	176.3	-175.1	177.3	64.6	0	0	111.8	C577 E579 K583 G584 L587	C577-M581 WeakPolarHBondContact O-CB 3.26Å; C577-M581 PolarHBondContact O-N 3.09Å; E579-M581 VanDerWaalsContact C-N 3.29Å; E579-M581 PolarHBondContact O-N 2.8Å; M581-K583 VanDerWaalsContact C-N 3.27Å; M581-K583 PolarHBondContact O-N 2.84Å; M581-G584 PolarHBondContact O-N 3.3Å; M581-G584 VanDerWaalsContact O-N 3.09Å; M581-L587 HydrophobicContact CB-CD2 3.95Å; M581-L587 HydrophobicContact CG-CD2 4.41Å
582	Q	94.3	Very high	94.7	Very high	163 Å²	163	45.8 Å²	45.8	76%	0.762	23%	0.231	S	C	*	.	H	α-helix	trans	-61.4	-35.3	177.7	-75.9	173.9	3.9	0	0	112.9	K578 E579 G584	K578-Q582 WeakPolarHBondContact O-CB 3.45Å; K578-Q582 VanDerWaalsContact O-CG 3.25Å; K578-Q582 WeakPolarHBondContact O-CG 3.2Å; K578-Q582 PolarHBondContact O-N 3.11Å; E579-Q582 PolarHBondContact O-N 3.48Å; Q582-G584 VanDerWaalsContact C-N 3.28Å
583	K	92	Very high	94.8	Very high	129 Å²	129	48.4 Å²	48.4	56%	0.561	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.4	0.1	178	-69.9	-178.8	176.1	176	0	113.5	E579 A580 M581 M585	E579-K583 HydrophobicContact CG-CD 4.07Å; E579-K583 WeakPolarHBondContact O-CB 3.4Å; E579-K583 WeakPolarHBondContact O-CG 3.44Å; E579-K583 PolarHBondContact O-N 3.46Å; E579-K583 WeakPolarHBondContact OE1-CE 3.4Å; E579-K583 IonicContact OE1-NZ 3.66Å; E579-K583 PolarHBondContact OE1-NZ 2.73Å; A580-K583 PolarHBondContact O-N 3.3Å; M581-K583 VanDerWaalsContact C-N 3.27Å; M581-K583 PolarHBondContact O-N 2.84Å; K583-M585 VanDerWaalsContact C-N 3.27Å; K583-M585 HydrophobicContact CB-CE 4.01Å; K583-M585 HydrophobicContact CB-CG 4.14Å; K583-M585 HydrophobicContact CD-CE 3.66Å; K583-M585 HydrophobicContact CG-CE 4.49Å; K583-M585 PolarHBondContact O-N 2.92Å
584	G	91	Very high	95	Very high	45 Å²	45	49.7 Å²	49.7	46%	0.464	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.4	29.4	179.4	0	0	0	0	0	113.8	A580 M581 Q582	A580-G584 PolarHBondContact O-N 2.86Å; M581-G584 PolarHBondContact O-N 3.3Å; M581-G584 VanDerWaalsContact O-N 3.09Å; Q582-G584 VanDerWaalsContact C-N 3.28Å
585	M	92.6	Very high	95	Very high	21 Å²	21	55.8 Å²	55.8	10%	0.103	28%	0.283	C	S	.	.			trans	-71	147.7	175.2	-60.3	-179.6	-179.3	0	0	110.1	T563 F575 A580 K583 L587	T563-M585 HydrophobicContact CG2-CB 4.05Å; T563-M585 HydrophobicContact CG2-SD 4.17Å; F575-M585 HydrophobicContact CD2-CE 3.95Å; F575-M585 HydrophobicContact CD2-SD 3.51Å; F575-M585 VanDerWaalsContact CD2-SD 3.51Å; F575-M585 HydrophobicContact CE1-CE 4.45Å; F575-M585 HydrophobicContact CE2-CE 3.87Å; F575-M585 HydrophobicContact CE2-SD 3.83Å; F575-M585 HydrophobicContact CG-CE 4.28Å; F575-M585 HydrophobicContact CG-SD 4.1Å; F575-M585 HydrophobicContact CZ-CE 4.15Å; A580-M585 HydrophobicContact CB-CB 4.35Å; A580-M585 HydrophobicContact CB-SD 4.18Å; A580-M585 PolarHBondContact O-N 2.55Å; K583-M585 VanDerWaalsContact C-N 3.27Å; K583-M585 HydrophobicContact CB-CE 4.01Å; K583-M585 HydrophobicContact CB-CG 4.14Å; K583-M585 HydrophobicContact CD-CE 3.66Å; K583-M585 HydrophobicContact CG-CE 4.49Å; K583-M585 PolarHBondContact O-N 2.92Å; M585-L587 VanDerWaalsContact C-N 3.34Å; M585-L587 PolarHBondContact O-N 3.16Å
586	G	94.1	Very high	95.1	Very high	2 Å²	2	57.8 Å²	57.8	2%	0.021	29%	0.293	C	S	.	.	B	Isolated β-bridge	trans	-69.3	89.2	174.9	0	0	0	0	0	110.4	T563 D564 N599	T563-G586 WeakPolarHBondContact CA-O 3.13Å; D564-G586 PolarHBondContact N-O 3.27Å; D564-G586 PolarHBondContact O-N 3.05Å; G586-N599 VanDerWaalsContact C-ND2 3.34Å; G586-N599 PolarHBondContact O-ND2 2.86Å
587	L	95.6	Very high	95.2	Very high	8 Å²	8	54.3 Å²	54.3	4%	0.042	27%	0.274	C	S	.	.			trans	-97.7	-11.4	-175.4	68.7	108.4	0	0	0	114.2	E545 T563 M581 M585 W589	E545-L587 HydrophobicContact CG-CD1 3.51Å; T563-L587 HydrophobicContact CG2-CB 4.23Å; M581-L587 HydrophobicContact CB-CD2 3.95Å; M581-L587 HydrophobicContact CG-CD2 4.41Å; M585-L587 VanDerWaalsContact C-N 3.34Å; M585-L587 PolarHBondContact O-N 3.16Å; L587-W589 VanDerWaalsContact O-CD1 3.28Å
588	Y	97.4	Very high	95.4	Very high	88 Å²	88	56.4 Å²	56.4	35%	0.345	28%	0.282	S	S	.	.	B	Isolated β-bridge	trans	-100.3	130.2	-178.5	-53.5	-72	0	0	0	111.3	T543 G544 E545 R600	T543-Y588 WeakPolarHBondContact O-CD1 3.29Å; G544-Y588 WeakPolarHBondContact O-CA 3.41Å; E545-Y588 HydrophobicContact CG-CD1 4.11Å; E545-Y588 HydrophobicContact CG-CE1 3.99Å; Y588-R600 PolarHBondContact O-N 2.97Å
589	W	97.8	Very high	95.5	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	138.1	-176	-58.2	85.2	0	0	0	110.4	Y540 G544 L562 D564 L587 L597 K598 N599 L606 I615	Y540-W589 PolarHBondContact OH-O 2.89Å; G544-W589 PolarHBondContact O-N 3.13Å; L562-W589 HydrophobicContact CD2-CD2 4.4Å; L562-W589 HydrophobicContact CD2-CH2 4.39Å; L562-W589 HydrophobicContact CD2-CZ2 3.86Å; L562-W589 HydrophobicContact CG-CZ2 3.76Å; L562-W589 PolarHBondContact O-NE1 3.29Å; D564-W589 HydrophobicContact CB-CH2 4.47Å; L587-W589 VanDerWaalsContact O-CD1 3.28Å; W589-L597 HydrophobicContact CB-CD1 3.75Å; W589-L597 HydrophobicContact CD2-CD1 4.43Å; W589-L597 HydrophobicContact CD2-CG 4.35Å; W589-L597 HydrophobicContact CE3-CD1 4.25Å; W589-L597 HydrophobicContact CE3-CG 3.83Å; W589-L597 HydrophobicContact CG-CD1 4.25Å; W589-L597 HydrophobicContact CZ3-CG 4.45Å; W589-K598 CarbonylContact C-O 3.54Å; W589-K598 VanDerWaalsContact CA-O 3.3Å; W589-K598 WeakPolarHBondContact CA-O 3.37Å; W589-N599 HydrophobicContact CE3-CB 4Å; W589-N599 HydrophobicContact CH2-CB 4.17Å; W589-N599 HydrophobicContact CZ3-CB 3.82Å; W589-L606 HydrophobicContact CH2-CB 4.38Å; W589-L606 HydrophobicContact CZ3-CB 4.07Å; W589-I615 HydrophobicContact CH2-CD1 3.9Å; W589-I615 HydrophobicContact CH2-CG1 4.39Å; W589-I615 HydrophobicContact CZ2-CD1 4.44Å
590	D	97.3	Very high	95.6	Very high	68 Å²	68	53 Å²	53	36%	0.364	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	121.3	162.3	-66.8	-33.7	0	0	0	107.6	K598 R600	D590-K598 PolarHBondContact N-O 3.04Å; D590-K598 PolarHBondContact O-N 2.96Å; D590-R600 WeakPolarHBondContact OD1-CG 3.5Å; D590-R600 IonicContact OD1-CZ 2.85Å; D590-R600 IonicContact OD1-NE 3.48Å; D590-R600 PolarHBondContact OD1-NE 3.49Å; D590-R600 IonicContact OD1-NH2 3.47Å; D590-R600 PolarHBondContact OD1-NH2 2.95Å
591	F	96.8	Very high	95.6	Very high	5 Å²	5	59.1 Å²	59.1	2%	0.022	29%	0.292	C	S	.	.			trans	-139.8	134.4	-177.8	178.5	-133.7	0	0	0	109.9	L506 Y540 M546 L597 W623 I625 F632	L506-F591 HydrophobicContact CD1-CE1 4.41Å; L506-F591 HydrophobicContact CD1-CE2 4.49Å; L506-F591 HydrophobicContact CD1-CZ 3.98Å; Y540-F591 AromaticContact CD1-CD1 3.86Å; Y540-F591 HydrophobicContact CD1-CD1 3.86Å; Y540-F591 HydrophobicContact CD2-CD1 4.4Å; Y540-F591 HydrophobicContact CE1-CB 4.08Å; Y540-F591 HydrophobicContact CE1-CD1 4.1Å; Y540-F591 HydrophobicContact CE2-CB 3.97Å; Y540-F591 HydrophobicContact CG-CD1 4.02Å; Y540-F591 PolarHBondContact OH-N 3.48Å; M546-F591 HydrophobicContact CE-CD1 3.88Å; M546-F591 HydrophobicContact CE-CE1 4.35Å; M546-F591 HydrophobicContact CE-CG 4.38Å; F591-L597 HydrophobicContact CB-CD1 3.6Å; F591-L597 HydrophobicContact CD2-CD1 4.03Å; F591-L597 HydrophobicContact CG-CD1 3.9Å; F591-W623 HydrophobicContact CE2-CB 3.78Å; F591-I625 HydrophobicContact CE1-CB 4.12Å; F591-I625 HydrophobicContact CE1-CG2 4.09Å; F591-I625 HydrophobicContact CZ-CB 4.32Å; F591-F632 AromaticContact CD1-CE2 3.65Å; F591-F632 HydrophobicContact CD1-CE2 3.65Å; F591-F632 HydrophobicContact CD1-CZ 4.04Å; F591-F632 AromaticContact CE1-CE2 3.96Å; F591-F632 HydrophobicContact CE1-CE2 3.96Å; F591-F632 AromaticContact CE1-CZ 3.98Å; F591-F632 HydrophobicContact CE1-CZ 3.98Å; F591-F632 HydrophobicContact CG-CE2 4.28Å; F591-F632 WeakPolarHBondContact O-CD2 3.38Å; F591-F632 WeakPolarHBondContact O-CE2 3.43Å
592	T	95.9	Very high	95.5	Very high	48 Å²	48	55.7 Å²	55.7	29%	0.294	28%	0.277	S	S	.	.			trans	-137.5	144.5	170.7	-60.2	0	0	0	0	107.2	G594 K595	T592-G594 PolarHBondContact O-N 2.04Å; T592-K595 HydrophobicContact CG2-CD 4.18Å; T592-K595 HydrophobicContact CG2-CG 4.48Å; T592-K595 PolarHBondContact O-N 3.33Å; T592-K595 VanDerWaalsContact O-N 3.13Å
593	Q	96.8	Very high	95.5	Very high	56 Å²	56	54 Å²	54	26%	0.262	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	130.2	-179.4	-65.7	-56.1	-44.5	0	0	112	K595 K624 I625 V628 F632	Q593-K595 VanDerWaalsContact C-N 3.27Å; Q593-K595 PolarHBondContact O-N 2.94Å; Q593-K624 VanDerWaalsContact OE1-CG 3.27Å; Q593-I625 VanDerWaalsContact OE1-N 3.08Å; Q593-V628 HydrophobicContact CG-CG2 3.97Å; Q593-F632 VanDerWaalsContact NE2-CZ 3.31Å
594	G	96.6	Very high	95.6	Very high	28 Å²	28	50.1 Å²	50.1	29%	0.289	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.7	12.7	176.9	0	0	0	0	0	114.9	T592 R622 W623	T592-G594 PolarHBondContact O-N 2.04Å; G594-R622 WeakPolarHBondContact O-CB 3.26Å; G594-R622 WeakPolarHBondContact O-CD 3.33Å; G594-R622 VanDerWaalsContact O-CG 3.22Å; G594-R622 WeakPolarHBondContact O-CG 2.98Å; G594-W623 WeakPolarHBondContact CA-O 3.22Å; G594-W623 PolarHBondContact N-O 3.23Å
595	K	96.4	Very high	95.8	Very high	128 Å²	128	48 Å²	48	56%	0.557	23%	0.227	S	C	*	.	B	Isolated β-bridge	trans	-118.7	-179.5	176	-63.7	-167.4	-179.4	175.8	0	111.8	T592 Q593 R622 W623	T592-K595 HydrophobicContact CG2-CD 4.18Å; T592-K595 HydrophobicContact CG2-CG 4.48Å; T592-K595 PolarHBondContact O-N 3.33Å; T592-K595 VanDerWaalsContact O-N 3.13Å; Q593-K595 VanDerWaalsContact C-N 3.27Å; Q593-K595 PolarHBondContact O-N 2.94Å; K595-R622 WeakPolarHBondContact O-CA 3.35Å; K595-W623 PolarHBondContact O-N 2.91Å
596	E	97	Very high	96	Very high	63 Å²	63	47 Å²	47	29%	0.294	22%	0.222	S	C	.	.			trans	-60.7	146.2	174.1	62.8	-177.7	-173.4	0	0	112.4	K598 C605 C618 Q621	E596-K598 HydrophobicContact CG-CB 4.41Å; E596-K598 IonicContact OE1-NZ 3.89Å; E596-C605 PolarHBondContact OE2-SG 3.35Å; E596-C605 VanDerWaalsContact OE2-SG 3.33Å; E596-C618 WeakPolarHBondContact OE2-CB 3.41Å; E596-Q621 VanDerWaalsContact CA-O 3.26Å; E596-Q621 WeakPolarHBondContact CA-O 3.31Å
597	L	97.6	Very high	96.1	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	98.5	171	178.4	62.6	0	0	0	108.3	L506 M546 L562 W589 F591 C605 L606 W623	L506-L597 HydrophobicContact CD2-CD2 4.17Å; M546-L597 HydrophobicContact CE-CD1 4.19Å; L562-L597 HydrophobicContact CD2-CD2 4.11Å; W589-L597 HydrophobicContact CB-CD1 3.75Å; W589-L597 HydrophobicContact CD2-CD1 4.43Å; W589-L597 HydrophobicContact CD2-CG 4.35Å; W589-L597 HydrophobicContact CE3-CD1 4.25Å; W589-L597 HydrophobicContact CE3-CG 3.83Å; W589-L597 HydrophobicContact CG-CD1 4.25Å; W589-L597 HydrophobicContact CZ3-CG 4.45Å; F591-L597 HydrophobicContact CB-CD1 3.6Å; F591-L597 HydrophobicContact CD2-CD1 4.03Å; F591-L597 HydrophobicContact CG-CD1 3.9Å; L597-C605 WeakPolarHBondContact O-CA 3.46Å; L597-L606 HydrophobicContact CB-CB 4.39Å; L597-L606 HydrophobicContact CD2-CB 4.06Å; L597-L606 HydrophobicContact CD2-CD2 3.71Å; L597-L606 HydrophobicContact CG-CB 4.33Å; L597-L606 PolarHBondContact O-N 2.8Å; L597-W623 HydrophobicContact CB-CG 4.08Å
598	K	97.6	Very high	96.1	Very high	60 Å²	60	47 Å²	47	26%	0.261	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	130.6	-165.8	-172.7	174.8	-165.4	158.8	0	112.4	W589 D590 E596 K603	W589-K598 CarbonylContact C-O 3.54Å; W589-K598 VanDerWaalsContact CA-O 3.3Å; W589-K598 WeakPolarHBondContact CA-O 3.37Å; D590-K598 PolarHBondContact N-O 3.04Å; D590-K598 PolarHBondContact O-N 2.96Å; E596-K598 HydrophobicContact CG-CB 4.41Å; E596-K598 IonicContact OE1-NZ 3.89Å; K598-K603 VanDerWaalsContact CE-O 3.23Å; K598-K603 WeakPolarHBondContact CE-O 3.33Å
599	N	96.9	Very high	95.9	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	129	176.5	-166.3	-87.4	0	0	0	111.3	D564 G586 W589 Q601 T602 K603 R604	D564-N599 HydrophobicContact CB-CB 4.38Å; G586-N599 VanDerWaalsContact C-ND2 3.34Å; G586-N599 PolarHBondContact O-ND2 2.86Å; W589-N599 HydrophobicContact CE3-CB 4Å; W589-N599 HydrophobicContact CH2-CB 4.17Å; W589-N599 HydrophobicContact CZ3-CB 3.82Å; N599-Q601 VanDerWaalsContact C-N 3.33Å; N599-Q601 PolarHBondContact O-N 3.35Å; N599-Q601 PolarHBondContact OD1-N 2.94Å; N599-Q601 VanDerWaalsContact OD1-N 3.09Å; N599-T602 WeakPolarHBondContact CB-OG1 3.38Å; N599-T602 PolarHBondContact OD1-N 3.16Å; N599-T602 VanDerWaalsContact OD1-N 3.13Å; N599-T602 PolarHBondContact OD1-OG1 2.82Å; N599-K603 VanDerWaalsContact O-CA 3.22Å; N599-K603 WeakPolarHBondContact O-CA 3.02Å; N599-K603 PolarHBondContact O-N 3.18Å; N599-R604 WeakPolarHBondContact CB-O 3.33Å; N599-R604 PolarHBondContact N-O 2.82Å
600	R	95.9	Very high	95.6	Very high	89 Å²	89	52.8 Å²	52.8	34%	0.336	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-34.6	-176.9	-70.8	-170.8	-177.7	151.9	9.6	113.4	T543 Y588 D590 K603	T543-R600 PolarHBondContact O-NH1 2.05Å; Y588-R600 PolarHBondContact O-N 2.97Å; D590-R600 WeakPolarHBondContact OD1-CG 3.5Å; D590-R600 IonicContact OD1-CZ 2.85Å; D590-R600 IonicContact OD1-NE 3.48Å; D590-R600 PolarHBondContact OD1-NE 3.49Å; D590-R600 IonicContact OD1-NH2 3.47Å; D590-R600 PolarHBondContact OD1-NH2 2.95Å; R600-K603 WeakPolarHBondContact O-CD 3.43Å; R600-K603 WeakPolarHBondContact O-CE 3.39Å; R600-K603 PolarHBondContact O-NZ 3.05Å
601	Q	93.3	Very high	95.4	Very high	128 Å²	128	58 Å²	58	60%	0.598	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-51.5	-174.3	-179.2	179.9	-10.3	0	0	111.4	N599	N599-Q601 VanDerWaalsContact C-N 3.33Å; N599-Q601 PolarHBondContact O-N 3.35Å; N599-Q601 PolarHBondContact OD1-N 2.94Å; N599-Q601 VanDerWaalsContact OD1-N 3.09Å
602	T	92.5	Very high	95.2	Very high	41 Å²	41	61.4 Å²	61.4	25%	0.252	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-12.5	-174.4	65.4	0	0	0	0	113.3	D564 N599 R604	D564-T602 HydrophobicContact CB-CG2 4.28Å; D564-T602 WeakPolarHBondContact OD2-CB 3.11Å; D564-T602 WeakPolarHBondContact OD2-CG2 3.23Å; D564-T602 PolarHBondContact OD2-OG1 2.81Å; N599-T602 WeakPolarHBondContact CB-OG1 3.38Å; N599-T602 PolarHBondContact OD1-N 3.16Å; N599-T602 VanDerWaalsContact OD1-N 3.13Å; N599-T602 PolarHBondContact OD1-OG1 2.82Å; T602-R604 PolarHBondContact O-N 3.23Å; T602-R604 VanDerWaalsContact O-N 3.11Å; T602-R604 PolarHBondContact OG1-N 3.47Å
603	K	94.6	Very high	95.2	Very high	127 Å²	127	59.4 Å²	59.4	55%	0.552	28%	0.283	S	S	*	.			trans	59.9	12.7	-174.8	-51.7	-55.3	-172.8	-169.8	0	114.4	K598 N599 R600	K598-K603 VanDerWaalsContact CE-O 3.23Å; K598-K603 WeakPolarHBondContact CE-O 3.33Å; N599-K603 VanDerWaalsContact O-CA 3.22Å; N599-K603 WeakPolarHBondContact O-CA 3.02Å; N599-K603 PolarHBondContact O-N 3.18Å; R600-K603 WeakPolarHBondContact O-CD 3.43Å; R600-K603 WeakPolarHBondContact O-CE 3.39Å; R600-K603 PolarHBondContact O-NZ 3.05Å
604	R	93.9	Very high	95.1	Very high	47 Å²	47	57.4 Å²	57.4	18%	0.177	28%	0.275	C	S	.	.			trans	-87.3	159	174.6	-63.6	-165.8	-64.7	-176.2	-8.8	111.2	D564 E567 N599 T602 I615 Q616	D564-R604 VanDerWaalsContact CG-NH2 3.25Å; D564-R604 IonicContact OD1-CZ 3.64Å; D564-R604 IonicContact OD1-NE 3.16Å; D564-R604 IonicContact OD1-NH2 3.25Å; D564-R604 PolarHBondContact OD1-NH2 3.26Å; D564-R604 IonicContact OD2-CZ 3.91Å; D564-R604 IonicContact OD2-NE 2.79Å; D564-R604 PolarHBondContact OD2-NE 2.93Å; D564-R604 IonicContact OD2-NH2 3.2Å; D564-R604 PolarHBondContact OD2-NH2 2.71Å; D564-R604 VanDerWaalsContact OD2-NH2 3.09Å; E567-R604 PolarHBondContact O-NH2 2.66Å; N599-R604 WeakPolarHBondContact CB-O 3.33Å; N599-R604 PolarHBondContact N-O 2.82Å; T602-R604 PolarHBondContact O-N 3.23Å; T602-R604 VanDerWaalsContact O-N 3.11Å; T602-R604 PolarHBondContact OG1-N 3.47Å; R604-I615 HydrophobicContact CB-CG2 3.61Å; R604-Q616 CarbonylContact C-O 3.56Å; R604-Q616 WeakPolarHBondContact CA-O 3.46Å; R604-Q616 VanDerWaalsContact CB-O 3.26Å; R604-Q616 WeakPolarHBondContact CB-O 3.35Å
605	C	96.1	Very high	95	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	150.3	179.2	-71.6	0	0	0	0	112.1	E596 L597 E607 I615 Q616 C618	E596-C605 PolarHBondContact OE2-SG 3.35Å; E596-C605 VanDerWaalsContact OE2-SG 3.33Å; L597-C605 WeakPolarHBondContact O-CA 3.46Å; C605-E607 HydrophobicContact CB-CG 4.13Å; C605-I615 WeakPolarHBondContact O-CA 3.4Å; C605-Q616 PolarHBondContact N-O 3.25Å; C605-Q616 PolarHBondContact O-N 2.88Å; C605-Q616 VanDerWaalsContact O-N 3.16Å; C605-C618 HydrophobicContact CB-CB 3.8Å; C605-C618 WeakPolarHBondContact CB-SG 3.43Å; C605-C618 PolarHBondContact N-SG 3.27Å; C605-C618 WeakPolarHBondContact SG-CB 3.05Å; C605-C618 CovalentContact SG-SG 2.04Å; C605-C618 PolarHBondContact SG-SG 2.9Å
606	L	97.1	Very high	94.9	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	124.6	163.1	-173.9	75.7	0	0	0	108.5	I515 L562 P572 W589 L597 L613 I615 W623	I515-L606 HydrophobicContact CD1-CD2 4.22Å; L562-L606 HydrophobicContact CD2-CD2 3.97Å; P572-L606 HydrophobicContact CB-CD1 3.89Å; P572-L606 HydrophobicContact CG-CD1 4.01Å; W589-L606 HydrophobicContact CH2-CB 4.38Å; W589-L606 HydrophobicContact CZ3-CB 4.07Å; L597-L606 HydrophobicContact CB-CB 4.39Å; L597-L606 HydrophobicContact CD2-CB 4.06Å; L597-L606 HydrophobicContact CD2-CD2 3.71Å; L597-L606 HydrophobicContact CG-CB 4.33Å; L597-L606 PolarHBondContact O-N 2.8Å; L606-L613 HydrophobicContact CD1-CD2 4.3Å; L606-L613 HydrophobicContact CD2-CD2 4.28Å; L606-L613 HydrophobicContact CG-CD2 4.33Å; L606-I615 HydrophobicContact CD1-CG1 4.14Å; L606-W623 HydrophobicContact CB-CZ2 4.39Å; L606-W623 HydrophobicContact CD2-CH2 3.71Å; L606-W623 HydrophobicContact CD2-CZ2 3.69Å; L606-W623 HydrophobicContact CD2-CZ3 4.32Å; L606-W623 HydrophobicContact CG-CH2 4.23Å; L606-W623 HydrophobicContact CG-CZ2 3.82Å; L606-W623 PolarHBondContact O-NE1 2.89Å
607	E	95.6	Very high	94.7	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	160	-171.7	-61.9	-77	-179.6	0	0	109.2	C605 V614 Q616 C618 T619 Q621	C605-E607 HydrophobicContact CB-CG 4.13Å; E607-V614 HydrophobicContact CB-CG2 3.95Å; E607-V614 PolarHBondContact N-O 3.27Å; E607-V614 PolarHBondContact O-N 2.81Å; E607-Q616 HydrophobicContact CB-CG 4.05Å; E607-Q616 HydrophobicContact CG-CG 3.74Å; E607-C618 WeakPolarHBondContact OE1-CA 3.22Å; E607-T619 VanDerWaalsContact CD-OG1 3.3Å; E607-T619 PolarHBondContact OE1-N 3.32Å; E607-T619 PolarHBondContact OE1-OG1 2.82Å; E607-T619 PolarHBondContact OE2-OG1 3.43Å; E607-Q621 WeakPolarHBondContact OE2-CB 3.37Å; E607-Q621 WeakPolarHBondContact OE2-CG 3.1Å; E607-Q621 PolarHBondContact OE2-NE2 2.92Å; E607-Q621 PolarHBondContact OE2-OE1 3.38Å
608	M	94.6	Very high	94.6	Very high	12 Å²	12	60 Å²	60	6%	0.059	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	123.3	170.3	-72	-166.4	-167	0	0	110.8	N508 S511 L513 V612 L613 Q621 W623	N508-M608 HydrophobicContact CB-CE 3.68Å; N508-M608 HydrophobicContact CB-CG 4.47Å; N508-M608 HydrophobicContact CB-SD 3.91Å; S511-M608 PolarHBondContact OG-SD 2.76Å; L513-M608 HydrophobicContact CB-CE 3.99Å; L513-M608 HydrophobicContact CB-SD 3.82Å; L513-M608 HydrophobicContact CD1-SD 4.32Å; M608-V612 WeakPolarHBondContact CA-O 3.45Å; M608-L613 HydrophobicContact CE-CD2 3.86Å; M608-L613 HydrophobicContact CG-CD2 3.84Å; M608-Q621 PolarHBondContact O-NE2 3.27Å; M608-W623 HydrophobicContact CE-CH2 3.43Å; M608-W623 VanDerWaalsContact CE-CH2 3.43Å; M608-W623 HydrophobicContact CE-CZ2 4.45Å; M608-W623 HydrophobicContact CE-CZ3 3.75Å; M608-W623 HydrophobicContact CG-CH2 4.13Å; M608-W623 HydrophobicContact CG-CZ2 4.33Å
609	V	93	Very high	94.5	Very high	56 Å²	56	61.4 Å²	61.4	34%	0.339	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	125	176.5	179.7	0	0	0	0	108.4	R611 V612 V614	V609-R611 PolarHBondContact O-N 2.92Å; V609-V612 PolarHBondContact N-O 2.83Å; V609-V612 WeakPolarHBondContact O-CB 3.44Å; V609-V612 PolarHBondContact O-N 2.82Å; V609-V614 HydrophobicContact CB-CG2 4.22Å; V609-V614 HydrophobicContact CG2-CG2 3.7Å
610	N	91.6	Very high	94.4	Very high	153 Å²	153	63.5 Å²	63.5	82%	0.818	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	50	43.1	-177.6	-61.5	-32	0	0	0	113.3	V612	N610-V612 PolarHBondContact O-N 2.72Å
611	R	93.1	Very high	94.4	Very high	178 Å²	178	60.6 Å²	60.6	67%	0.672	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.6	25.5	-176.2	-52.7	-177.7	155.3	-151.7	-8.5	114.5	L513 S527 V609	L513-R611 HydrophobicContact CD1-CB 3.92Å; L513-R611 HydrophobicContact CD1-CG 3.89Å; S527-R611 PolarHBondContact OG-O 2.83Å; V609-R611 PolarHBondContact O-N 2.92Å
612	V	93.9	Very high	94.6	Very high	76 Å²	76	59.9 Å²	59.9	46%	0.461	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	133.3	174	-179.1	0	0	0	0	108.8	M608 V609 N610	M608-V612 WeakPolarHBondContact CA-O 3.45Å; V609-V612 PolarHBondContact N-O 2.83Å; V609-V612 WeakPolarHBondContact O-CB 3.44Å; V609-V612 PolarHBondContact O-N 2.82Å; N610-V612 PolarHBondContact O-N 2.72Å
613	L	95.5	Very high	94.9	Very high	5 Å²	5	58 Å²	58	3%	0.026	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	130.6	172.8	-70.4	170	0	0	0	110.8	I515 P525 I526 P572 L606 M608 W623	I515-L613 HydrophobicContact CD1-CD1 3.99Å; I515-L613 HydrophobicContact CG1-CD1 3.84Å; P525-L613 HydrophobicContact CB-CD1 4.13Å; P525-L613 HydrophobicContact CG-CD1 4.17Å; I526-L613 WeakPolarHBondContact O-CD1 3.49Å; P572-L613 WeakPolarHBondContact CD-O 3.14Å; P572-L613 HydrophobicContact CG-CB 3.75Å; P572-L613 HydrophobicContact CG-CD1 4.42Å; L606-L613 HydrophobicContact CD1-CD2 4.3Å; L606-L613 HydrophobicContact CD2-CD2 4.28Å; L606-L613 HydrophobicContact CG-CD2 4.33Å; M608-L613 HydrophobicContact CE-CD2 3.86Å; M608-L613 HydrophobicContact CG-CD2 3.84Å; L613-W623 HydrophobicContact CD2-CH2 3.76Å; L613-W623 HydrophobicContact CD2-CZ2 4.43Å
614	V	94.5	Very high	95.1	Very high	14 Å²	14	57.3 Å²	57.3	9%	0.085	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	156.7	175.6	-61.5	0	0	0	0	112.4	T570 E607 V609 Q616	T570-V614 CarbonylContact O-C 3.58Å; T570-V614 VanDerWaalsContact O-C 3.31Å; T570-V614 WeakPolarHBondContact O-CA 3.21Å; T570-V614 VanDerWaalsContact O-CB 3.26Å; T570-V614 WeakPolarHBondContact O-CB 3.45Å; E607-V614 HydrophobicContact CB-CG2 3.95Å; E607-V614 PolarHBondContact N-O 3.27Å; E607-V614 PolarHBondContact O-N 2.81Å; V609-V614 HydrophobicContact CB-CG2 4.22Å; V609-V614 HydrophobicContact CG2-CG2 3.7Å; V614-Q616 HydrophobicContact CG2-CG 4.2Å
615	I	95.1	Very high	95.2	Very high	1 Å²	1	55.1 Å²	55.1	1%	0.005	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	118.2	169.1	-59.8	178.6	0	0	0	108.4	T563 D564 T570 P572 W589 R604 C605 L606	T563-I615 WeakPolarHBondContact O-CD1 3.41Å; D564-I615 HydrophobicContact CB-CD1 3.8Å; D564-I615 HydrophobicContact CB-CG2 4.49Å; D564-I615 WeakPolarHBondContact OD2-CG2 3.43Å; T570-I615 PolarHBondContact O-N 3.24Å; P572-I615 HydrophobicContact CB-CD1 3.81Å; P572-I615 HydrophobicContact CB-CG1 4.01Å; W589-I615 HydrophobicContact CH2-CD1 3.9Å; W589-I615 HydrophobicContact CH2-CG1 4.39Å; W589-I615 HydrophobicContact CZ2-CD1 4.44Å; R604-I615 HydrophobicContact CB-CG2 3.61Å; C605-I615 WeakPolarHBondContact O-CA 3.4Å; L606-I615 HydrophobicContact CD1-CG1 4.14Å
616	Q	93.4	Very high	95.2	Very high	61 Å²	61	59.1 Å²	59.1	29%	0.285	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	-174.9	-174.7	61	175.6	48.4	0	0	111.7	R604 C605 E607 V614	R604-Q616 CarbonylContact C-O 3.56Å; R604-Q616 WeakPolarHBondContact CA-O 3.46Å; R604-Q616 VanDerWaalsContact CB-O 3.26Å; R604-Q616 WeakPolarHBondContact CB-O 3.35Å; C605-Q616 PolarHBondContact N-O 3.25Å; C605-Q616 PolarHBondContact O-N 2.88Å; C605-Q616 VanDerWaalsContact O-N 3.16Å; E607-Q616 HydrophobicContact CB-CG 4.05Å; E607-Q616 HydrophobicContact CG-CG 3.74Å; V614-Q616 HydrophobicContact CG2-CG 4.2Å
617	E	93.4	Very high	95.1	Very high	167 Å²	167	60.2 Å²	60.2	78%	0.78	31%	0.305	S	S	*	.	S	Bend	trans	-57.7	140.2	169.1	-68	-174.4	172	0	0	110.5	T619	E617-T619 PolarHBondContact O-N 2.63Å
618	C	94.6	Very high	95	Very high	44 Å²	44	63.3 Å²	63.3	30%	0.297	32%	0.324	S	S	.	.			trans	-67	121.6	-172.8	-57.7	0	0	0	0	111	E596 C605 E607	E596-C618 WeakPolarHBondContact OE2-CB 3.41Å; C605-C618 HydrophobicContact CB-CB 3.8Å; C605-C618 WeakPolarHBondContact CB-SG 3.43Å; C605-C618 PolarHBondContact N-SG 3.27Å; C605-C618 WeakPolarHBondContact SG-CB 3.05Å; C605-C618 CovalentContact SG-SG 2.04Å; C605-C618 PolarHBondContact SG-SG 2.9Å; E607-C618 WeakPolarHBondContact OE1-CA 3.22Å
619	T	95.1	Very high	94.9	Very high	90 Å²	90	64.9 Å²	64.9	55%	0.552	33%	0.332	S	S	*	.			trans	-98.3	-4.3	176.7	68.6	0	0	0	0	112.5	E607 E617	E607-T619 VanDerWaalsContact CD-OG1 3.3Å; E607-T619 PolarHBondContact OE1-N 3.32Å; E607-T619 PolarHBondContact OE1-OG1 2.82Å; E607-T619 PolarHBondContact OE2-OG1 3.43Å; E617-T619 PolarHBondContact O-N 2.63Å
620	G	95	Very high	94.6	Very high	44 Å²	44	69.1 Å²	69.1	45%	0.454	35%	0.346	S	S	.	.			trans	89.9	17.2	179.6	0	0	0	0	0	114.3
621	Q	96.8	Very high	94.2	Very high	29 Å²	29	69.5 Å²	69.5	14%	0.136	35%	0.348	C	S	.	.			trans	-61.5	144.2	173.5	-71.3	-177.7	22.8	0	0	111.2	N508 D510 E596 E607 M608	N508-Q621 PolarHBondContact ND2-OE1 2.86Å; D510-Q621 HydrophobicContact CB-CG 4.46Å; D510-Q621 WeakPolarHBondContact OD2-CA 3.14Å; E596-Q621 VanDerWaalsContact CA-O 3.26Å; E596-Q621 WeakPolarHBondContact CA-O 3.31Å; E607-Q621 WeakPolarHBondContact OE2-CB 3.37Å; E607-Q621 WeakPolarHBondContact OE2-CG 3.1Å; E607-Q621 PolarHBondContact OE2-NE2 2.92Å; E607-Q621 PolarHBondContact OE2-OE1 3.38Å; M608-Q621 PolarHBondContact O-NE2 3.27Å
622	R	98	Very high	93.9	Very high	113 Å²	113	64.9 Å²	64.9	43%	0.426	33%	0.333	S	S	.	.			trans	-109.1	131.8	-168.4	-60.8	174.2	-66.7	153.1	4.4	110	L509 D510 G594 K595	L509-R622 HydrophobicContact CB-CB 4.2Å; L509-R622 HydrophobicContact CD1-CB 4.11Å; L509-R622 HydrophobicContact CG-CB 4.46Å; L509-R622 PolarHBondContact N-O 3.16Å; D510-R622 IonicContact OD1-CZ 2.92Å; D510-R622 IonicContact OD1-NE 2.7Å; D510-R622 PolarHBondContact OD1-NE 3.05Å; D510-R622 IonicContact OD1-NH2 2.84Å; D510-R622 PolarHBondContact OD1-NH2 3.01Å; D510-R622 PolarHBondContact OD2-N 2.87Å; D510-R622 IonicContact OD2-NE 3.64Å; G594-R622 WeakPolarHBondContact O-CB 3.26Å; G594-R622 WeakPolarHBondContact O-CD 3.33Å; G594-R622 VanDerWaalsContact O-CG 3.22Å; G594-R622 WeakPolarHBondContact O-CG 2.98Å; K595-R622 WeakPolarHBondContact O-CA 3.35Å
623	W	98.2	Very high	93.9	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	145.5	-180	-65.9	86.3	0	0	0	111.2	L506 K507 N508 F591 G594 K595 L597 L606 M608 L613	L506-W623 HydrophobicContact CD1-CB 4.19Å; L506-W623 HydrophobicContact CD1-CE3 4.21Å; L506-W623 HydrophobicContact CD2-CE3 4.47Å; L506-W623 HydrophobicContact CG-CE3 3.93Å; L506-W623 HydrophobicContact CG-CZ3 4.4Å; K507-W623 CarbonylContact O-C 3.55Å; K507-W623 WeakPolarHBondContact O-CA 3.26Å; N508-W623 HydrophobicContact CB-CD2 4.14Å; N508-W623 HydrophobicContact CB-CE3 3.85Å; N508-W623 HydrophobicContact CB-CH2 3.85Å; N508-W623 HydrophobicContact CB-CZ2 4.09Å; N508-W623 HydrophobicContact CB-CZ3 3.72Å; N508-W623 VanDerWaalsContact ND2-CE2 3.32Å; N508-W623 WeakPolarHBondContact ND2-CZ2 3.35Å; F591-W623 HydrophobicContact CE2-CB 3.78Å; G594-W623 WeakPolarHBondContact CA-O 3.22Å; G594-W623 PolarHBondContact N-O 3.23Å; K595-W623 PolarHBondContact O-N 2.91Å; L597-W623 HydrophobicContact CB-CG 4.08Å; L606-W623 HydrophobicContact CB-CZ2 4.39Å; L606-W623 HydrophobicContact CD2-CH2 3.71Å; L606-W623 HydrophobicContact CD2-CZ2 3.69Å; L606-W623 HydrophobicContact CD2-CZ3 4.32Å; L606-W623 HydrophobicContact CG-CH2 4.23Å; L606-W623 HydrophobicContact CG-CZ2 3.82Å; L606-W623 PolarHBondContact O-NE1 2.89Å; M608-W623 HydrophobicContact CE-CH2 3.43Å; M608-W623 VanDerWaalsContact CE-CH2 3.43Å; M608-W623 HydrophobicContact CE-CZ2 4.45Å; M608-W623 HydrophobicContact CE-CZ3 3.75Å; M608-W623 HydrophobicContact CG-CH2 4.13Å; M608-W623 HydrophobicContact CG-CZ2 4.33Å; L613-W623 HydrophobicContact CD2-CH2 3.76Å; L613-W623 HydrophobicContact CD2-CZ2 4.43Å
624	K	97.8	Very high	93.8	Very high	113 Å²	113	67.4 Å²	67.4	49%	0.491	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	132.8	176.7	-171.4	179.6	-179.9	176.8	0	109.5	K507 L509 Q593	K507-K624 PolarHBondContact N-O 2.97Å; K507-K624 PolarHBondContact O-N 3.17Å; L509-K624 HydrophobicContact CD1-CB 4.21Å; L509-K624 HydrophobicContact CD2-CB 3.82Å; L509-K624 HydrophobicContact CD2-CD 4.34Å; L509-K624 HydrophobicContact CG-CB 4.11Å; Q593-K624 VanDerWaalsContact OE1-CG 3.27Å
625	I	97.4	Very high	93.8	Very high	1 Å²	1	70.4 Å²	70.4	1%	0.005	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	148	171.1	-154.9	172.6	0	0	0	109.4	A502 A505 L506 A538 F591 Q593	A502-I625 HydrophobicContact CB-CD1 4.13Å; A502-I625 HydrophobicContact CB-CG2 3.28Å; A505-I625 CarbonylContact O-C 3.59Å; A505-I625 WeakPolarHBondContact O-CA 3.21Å; L506-I625 HydrophobicContact CB-CG1 4.3Å; L506-I625 HydrophobicContact CD1-CB 4.15Å; L506-I625 HydrophobicContact CD1-CG1 4.49Å; A538-I625 HydrophobicContact CB-CD1 3.96Å; F591-I625 HydrophobicContact CE1-CB 4.12Å; F591-I625 HydrophobicContact CE1-CG2 4.09Å; F591-I625 HydrophobicContact CZ-CB 4.32Å; Q593-I625 VanDerWaalsContact OE1-N 3.08Å
626	Q	95.4	Very high	93.7	Very high	85 Å²	85	74.5 Å²	74.5	40%	0.397	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	-51.5	-169.5	-173.7	178.3	11.5	0	0	113.9	N455 A505	N455-Q626 PolarHBondContact ND2-OE1 2.86Å; A505-Q626 PolarHBondContact O-N 3.48Å
627	N	95.1	Very high	93.7	Very high	23 Å²	23	75.3 Å²	75.3	12%	0.123	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	128.7	-172.6	-55.3	-60.2	0	0	0	110.3	N455 A502 Y503	N455-N627 PolarHBondContact OD1-ND2 3.23Å; A502-N627 CarbonylContact C-O 3.49Å; A502-N627 VanDerWaalsContact CA-O 3.23Å; A502-N627 WeakPolarHBondContact CA-O 3.49Å; A502-N627 WeakPolarHBondContact CB-O 3.47Å; Y503-N627 HydrophobicContact CD1-CB 3.8Å; Y503-N627 HydrophobicContact CD2-CB 4.24Å; Y503-N627 HydrophobicContact CE1-CB 3.41Å; Y503-N627 VanDerWaalsContact CE1-CB 3.41Å; Y503-N627 HydrophobicContact CE2-CB 3.91Å; Y503-N627 WeakPolarHBondContact CE2-ND2 3.42Å; Y503-N627 HydrophobicContact CG-CB 4.19Å; Y503-N627 VanDerWaalsContact CZ-CB 3.47Å; Y503-N627 PolarHBondContact N-O 3.24Å; Y503-N627 WeakPolarHBondContact O-CB 3.35Å; Y503-N627 PolarHBondContact O-N 3.46Å
628	V	94.4	Very high	93.8	Very high	64 Å²	64	69.2 Å²	69.2	39%	0.388	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	126.7	177.1	178	0	0	0	0	108.4	Q593 K630 F632	Q593-V628 HydrophobicContact CG-CG2 3.97Å; V628-K630 WeakPolarHBondContact CG1-O 3.09Å; V628-F632 HydrophobicContact CG1-CD1 4.49Å; V628-F632 HydrophobicContact CG1-CE1 4.08Å
629	I	92.7	Very high	93.7	Very high	46 Å²	46	71 Å²	71	24%	0.236	36%	0.361	C	S	.	.	S	Bend	trans	-90	-43.3	-179.5	-57.4	169	0	0	0	110.2	L452 F458 L500 L501 Y503	L452-I629 HydrophobicContact CD2-CD1 4.1Å; F458-I629 HydrophobicContact CD2-CG2 4.15Å; F458-I629 HydrophobicContact CE2-CB 4.32Å; F458-I629 HydrophobicContact CE2-CD1 4.13Å; F458-I629 HydrophobicContact CE2-CG1 3.91Å; F458-I629 HydrophobicContact CE2-CG2 3.53Å; F458-I629 HydrophobicContact CZ-CD1 3.82Å; F458-I629 HydrophobicContact CZ-CG1 3.89Å; F458-I629 HydrophobicContact CZ-CG2 4.31Å; L500-I629 HydrophobicContact CB-CD1 3.63Å; L501-I629 WeakPolarHBondContact O-CB 2.9Å; L501-I629 PolarHBondContact O-N 3.2Å; Y503-I629 HydrophobicContact CD1-CD1 3.78Å; Y503-I629 HydrophobicContact CD1-CG1 3.76Å; Y503-I629 HydrophobicContact CE1-CD1 4.12Å; Y503-I629 HydrophobicContact CE1-CG1 3.73Å
630	K	86.1	Confident	93.6	Very high	145 Å²	145	69.5 Å²	69.5	63%	0.63	35%	0.346	S	S	*	.	S	Bend	trans	-139.3	149.1	176.7	-65.5	-179.6	-177.6	177.8	0	107.8	L501 V628 F632	L501-K630 HydrophobicContact CD2-CB 4.38Å; L501-K630 PolarHBondContact O-N 2.84Å; V628-K630 WeakPolarHBondContact CG1-O 3.09Å; K630-F632 WeakPolarHBondContact O-CD1 3.27Å
631	D	82.9	Confident	93.5	Very high	161 Å²	161	71.7 Å²	71.7	86%	0.861	34%	0.337	S	S	*	.			trans	-66.6	142.2	174.6	-65.6	-34.5	0	0	0	111.1
632	F	87	Confident	93.2	Very high	80 Å²	80	75.5 Å²	75.5	35%	0.351	36%	0.355	S	S	.	.			trans	-151.8	0	-178.8	59.1	-96.1	0	0	0	113.2	L501 A502 Y540 F591 Q593 V628 K630	L501-F632 HydrophobicContact CB-CD1 3.63Å; L501-F632 HydrophobicContact CB-CE1 3.88Å; L501-F632 HydrophobicContact CB-CG 4.32Å; L501-F632 HydrophobicContact CD1-CB 3.82Å; L501-F632 HydrophobicContact CD1-CD1 4.1Å; L501-F632 HydrophobicContact CD1-CG 3.97Å; L501-F632 HydrophobicContact CG-CD1 4.37Å; A502-F632 HydrophobicContact CB-CE1 3.6Å; A502-F632 HydrophobicContact CB-CZ 3.71Å; Y540-F632 HydrophobicContact CD1-CD2 4.15Å; Y540-F632 HydrophobicContact CD1-CE1 4.26Å; Y540-F632 AromaticContact CD1-CE2 3.71Å; Y540-F632 HydrophobicContact CD1-CE2 3.71Å; Y540-F632 AromaticContact CD1-CZ 3.76Å; Y540-F632 HydrophobicContact CD1-CZ 3.76Å; Y540-F632 AromaticContact CE1-CD2 3.67Å; Y540-F632 HydrophobicContact CE1-CD2 3.67Å; Y540-F632 AromaticContact CE1-CE2 3.61Å; Y540-F632 HydrophobicContact CE1-CE2 3.61Å; Y540-F632 HydrophobicContact CE1-CG 4.2Å; Y540-F632 HydrophobicContact CE1-CZ 4.13Å; F591-F632 AromaticContact CD1-CE2 3.65Å; F591-F632 HydrophobicContact CD1-CE2 3.65Å; F591-F632 HydrophobicContact CD1-CZ 4.04Å; F591-F632 AromaticContact CE1-CE2 3.96Å; F591-F632 HydrophobicContact CE1-CE2 3.96Å; F591-F632 AromaticContact CE1-CZ 3.98Å; F591-F632 HydrophobicContact CE1-CZ 3.98Å; F591-F632 HydrophobicContact CG-CE2 4.28Å; F591-F632 WeakPolarHBondContact O-CD2 3.38Å; F591-F632 WeakPolarHBondContact O-CE2 3.43Å; Q593-F632 VanDerWaalsContact NE2-CZ 3.31Å; V628-F632 HydrophobicContact CG1-CD1 4.49Å; V628-F632 HydrophobicContact CG1-CE1 4.08Å; K630-F632 WeakPolarHBondContact O-CD1 3.27Å

Retrieved 632 of 632 residues in 298.4 ms (Link to these results)

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