A0A087YJG8_POEFO Loading...

MAM domain containing 2

AlphaFold DB , UniProt , Accession A0A087YJG8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 696 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	44.8	Very low	42.2	Very low	204 Å²	204	132.5 Å²	132.5	100%	1.005	66%	0.657	S	S	*	*				0	-41.9	0	-132.2	164.6	179.9	0	0	113.2	F3 F4 L5	M1-F3 PolarHBondContact O-N 2.93Å; M1-F4 PolarHBondContact O-N 2.92Å; M1-L5 WeakPolarHBondContact O-CD1 3.45Å; M1-L5 PolarHBondContact O-N 2.81Å
2	A	43.6	Very low	42.3	Very low	83 Å²	83	131.5 Å²	131.5	69%	0.686	66%	0.655	S	S	*	*	H	α-helix	trans	-64.3	-29.2	179	0	0	0	0	0	115.5	R6	A2-R6 PolarHBondContact O-N 2.86Å
3	F	38.9	Very low	42.4	Very low	169 Å²	169	132 Å²	132	74%	0.741	65%	0.654	S	S	*	*	H	α-helix	trans	-71.8	-35.5	178.7	-134.2	-93.9	0	0	0	113	M1 R6 Q7	M1-F3 PolarHBondContact O-N 2.93Å; F3-R6 PolarHBondContact O-N 2.75Å; F3-Q7 PolarHBondContact O-N 3.4Å
4	F	38	Very low	43.1	Very low	147 Å²	147	130.5 Å²	130.5	65%	0.645	65%	0.648	S	S	*	*	H	α-helix	trans	-73.4	-29.3	178.5	-93.1	-85.7	0	0	0	113.1	M1 K8	M1-F4 PolarHBondContact O-N 2.92Å; F4-K8 PolarHBondContact O-N 3.13Å
5	L	40.2	Very low	43.1	Very low	119 Å²	119	132.7 Å²	132.7	62%	0.623	65%	0.648	S	S	*	*	H	α-helix	trans	-72.8	-31.9	174	-92.4	98.2	0	0	0	112.7	M1 T9	M1-L5 WeakPolarHBondContact O-CD1 3.45Å; M1-L5 PolarHBondContact O-N 2.81Å; L5-T9 PolarHBondContact O-N 3.1Å; L5-T9 PolarHBondContact O-OG1 3.34Å
6	R	41.2	Very low	43	Very low	203 Å²	203	131.7 Å²	131.7	77%	0.766	65%	0.645	S	S	*	*	H	α-helix	trans	-70.1	-36.2	177	-115.6	-179.4	179	-172.1	-0.8	112.9	A2 F3 T9 A10	A2-R6 PolarHBondContact O-N 2.86Å; F3-R6 PolarHBondContact O-N 2.75Å; R6-T9 WeakPolarHBondContact CA-OG1 3.3Å; R6-T9 PolarHBondContact O-OG1 3.38Å; R6-A10 WeakPolarHBondContact O-CB 3.27Å; R6-A10 PolarHBondContact O-N 3.22Å
7	Q	41.8	Very low	43.1	Very low	120 Å²	120	131.2 Å²	131.2	56%	0.561	65%	0.645	S	S	*	*	H	α-helix	trans	-71.3	-36.6	175.1	-99	178.5	-22.2	0	0	112.9	F3 M11	F3-Q7 PolarHBondContact O-N 3.4Å; Q7-M11 WeakPolarHBondContact O-CB 3.25Å; Q7-M11 PolarHBondContact O-N 2.74Å
8	K	42.5	Very low	43.1	Very low	159 Å²	159	126.8 Å²	126.8	69%	0.691	63%	0.633	S	S	*	*	H	α-helix	trans	-70.3	-34.1	176.8	-77.9	-171.5	174.1	-172.5	0	113.1	F4 L12	F4-K8 PolarHBondContact O-N 3.13Å; K8-L12 WeakPolarHBondContact O-CB 3.46Å; K8-L12 PolarHBondContact O-N 3.35Å
9	T	43.8	Very low	42.8	Very low	87 Å²	87	127.7 Å²	127.7	53%	0.534	63%	0.633	S	S	.	*	H	α-helix	trans	-73.4	-35.9	175.5	30.3	0	0	0	0	112.6	L5 R6 Q13	L5-T9 PolarHBondContact O-N 3.1Å; L5-T9 PolarHBondContact O-OG1 3.34Å; R6-T9 WeakPolarHBondContact CA-OG1 3.3Å; R6-T9 PolarHBondContact O-OG1 3.38Å; T9-Q13 PolarHBondContact O-N 2.84Å
10	A	46.3	Very low	42.5	Very low	47 Å²	47	125 Å²	125	39%	0.388	62%	0.624	S	S	.	*	H	α-helix	trans	-67.8	-42.7	173	0	0	0	0	0	112.5	R6 Q13 I14	R6-A10 WeakPolarHBondContact O-CB 3.27Å; R6-A10 PolarHBondContact O-N 3.22Å; A10-Q13 PolarHBondContact O-N 3.08Å; A10-I14 WeakPolarHBondContact O-CD1 3.37Å; A10-I14 VanDerWaalsContact O-CG1 3.24Å; A10-I14 WeakPolarHBondContact O-CG1 3.22Å; A10-I14 PolarHBondContact O-N 2.96Å
11	M	43.1	Very low	42.2	Very low	120 Å²	120	122 Å²	122	59%	0.591	62%	0.619	S	S	*	*	H	α-helix	trans	-62.7	-42.2	173.4	-88.4	-107.5	-114.9	0	0	112.1	Q7 Q13 I14 Y15	Q7-M11 WeakPolarHBondContact O-CB 3.25Å; Q7-M11 PolarHBondContact O-N 2.74Å; M11-Q13 VanDerWaalsContact C-N 3.34Å; M11-Q13 PolarHBondContact O-N 2.79Å; M11-I14 PolarHBondContact O-N 3.11Å; M11-Y15 VanDerWaalsContact O-CD2 3.31Å; M11-Y15 WeakPolarHBondContact O-CD2 3.37Å; M11-Y15 PolarHBondContact O-N 3.07Å; M11-Y15 HydrophobicContact SD-CD2 4.48Å; M11-Y15 HydrophobicContact SD-CE2 4Å
12	L	43.4	Very low	41.7	Very low	120 Å²	120	115.5 Å²	115.5	63%	0.628	60%	0.598	S	S	*	*	H	α-helix	trans	-66.5	-35.6	178.5	-159.2	76.5	0	0	0	112	K8 L16	K8-L12 WeakPolarHBondContact O-CB 3.46Å; K8-L12 PolarHBondContact O-N 3.35Å; L12-L16 WeakPolarHBondContact O-CB 3.26Å; L12-L16 PolarHBondContact O-N 2.89Å
13	Q	44	Very low	41.1	Very low	138 Å²	138	115.8 Å²	115.8	65%	0.645	59%	0.591	S	S	*	*	H	α-helix	trans	-68.2	-37.4	172.2	-85.7	-165.3	-36.5	0	0	112.9	T9 A10 M11 L16 L17	T9-Q13 PolarHBondContact O-N 2.84Å; A10-Q13 PolarHBondContact O-N 3.08Å; M11-Q13 VanDerWaalsContact C-N 3.34Å; M11-Q13 PolarHBondContact O-N 2.79Å; Q13-L16 PolarHBondContact O-N 2.91Å; Q13-L17 VanDerWaalsContact O-CB 3.31Å; Q13-L17 WeakPolarHBondContact O-CB 3.37Å; Q13-L17 WeakPolarHBondContact O-CD1 3.39Å; Q13-L17 PolarHBondContact O-N 2.83Å
14	I	51.4	Low	40.8	Very low	111 Å²	111	116.7 Å²	116.7	57%	0.569	59%	0.589	S	S	*	*	H	α-helix	trans	-68.6	-41.1	176	-67.7	163.1	0	0	0	110.6	A10 M11 L17 A18	A10-I14 WeakPolarHBondContact O-CD1 3.37Å; A10-I14 VanDerWaalsContact O-CG1 3.24Å; A10-I14 WeakPolarHBondContact O-CG1 3.22Å; A10-I14 PolarHBondContact O-N 2.96Å; M11-I14 PolarHBondContact O-N 3.11Å; I14-L17 PolarHBondContact O-N 3.03Å; I14-A18 WeakPolarHBondContact O-CB 3.41Å; I14-A18 PolarHBondContact O-N 3.11Å
15	Y	43.8	Very low	40.6	Very low	164 Å²	164	113.7 Å²	113.7	64%	0.643	59%	0.591	S	S	*	*	H	α-helix	trans	-67.6	-35.7	173.1	-88.4	-79.4	0	0	0	112.1	M11 F19	M11-Y15 VanDerWaalsContact O-CD2 3.31Å; M11-Y15 WeakPolarHBondContact O-CD2 3.37Å; M11-Y15 PolarHBondContact O-N 3.07Å; M11-Y15 HydrophobicContact SD-CD2 4.48Å; M11-Y15 HydrophobicContact SD-CE2 4Å; Y15-F19 WeakPolarHBondContact O-CB 3.34Å; Y15-F19 PolarHBondContact O-N 2.81Å
16	L	41.5	Very low	40.4	Very low	116 Å²	116	115.4 Å²	115.4	61%	0.607	60%	0.595	S	S	*	*	H	α-helix	trans	-69.6	-37.4	173.5	-133.8	86.5	0	0	0	111.9	L12 Q13 V20	L12-L16 WeakPolarHBondContact O-CB 3.26Å; L12-L16 PolarHBondContact O-N 2.89Å; Q13-L16 PolarHBondContact O-N 2.91Å; L16-V20 VanDerWaalsContact O-CB 3.23Å; L16-V20 WeakPolarHBondContact O-CB 3.3Å; L16-V20 WeakPolarHBondContact O-CG2 3.37Å; L16-V20 PolarHBondContact O-N 3.2Å
17	L	44.4	Very low	40.6	Very low	123 Å²	123	110.4 Å²	110.4	64%	0.644	59%	0.592	S	S	*	*	H	α-helix	trans	-69.7	-39	174.7	-87.7	153.1	0	0	0	111.8	Q13 I14 A21	Q13-L17 VanDerWaalsContact O-CB 3.31Å; Q13-L17 WeakPolarHBondContact O-CB 3.37Å; Q13-L17 WeakPolarHBondContact O-CD1 3.39Å; Q13-L17 PolarHBondContact O-N 2.83Å; I14-L17 PolarHBondContact O-N 3.03Å; L17-A21 WeakPolarHBondContact O-CB 3.47Å; L17-A21 PolarHBondContact O-N 3.48Å
18	A	43.9	Very low	41	Very low	52 Å²	52	115.8 Å²	115.8	43%	0.43	61%	0.607	S	S	.	*	H	α-helix	trans	-71.5	-33.5	174.3	0	0	0	0	0	112	I14 A21 A22	I14-A18 WeakPolarHBondContact O-CB 3.41Å; I14-A18 PolarHBondContact O-N 3.11Å; A18-A21 PolarHBondContact O-N 2.8Å; A18-A22 WeakPolarHBondContact O-CB 3.46Å; A18-A22 PolarHBondContact O-N 2.88Å
19	F	36.6	Very low	42	Very low	145 Å²	145	113 Å²	113	64%	0.636	60%	0.599	S	S	*	*	H	α-helix	trans	-76.8	-34.1	174.1	-162	-98	0	0	0	111.6	Y15 A21 A22 V23	Y15-F19 WeakPolarHBondContact O-CB 3.34Å; Y15-F19 PolarHBondContact O-N 2.81Å; F19-A21 VanDerWaalsContact C-N 3.31Å; F19-A22 PolarHBondContact O-N 3.05Å; F19-V23 HydrophobicContact CD1-CG2 3.77Å; F19-V23 HydrophobicContact CE1-CG2 3.59Å; F19-V23 HydrophobicContact CE2-CG2 4.42Å; F19-V23 HydrophobicContact CG-CG2 4.28Å; F19-V23 HydrophobicContact CZ-CG2 3.94Å; F19-V23 WeakPolarHBondContact O-CB 3.47Å; F19-V23 WeakPolarHBondContact O-CG2 3.36Å; F19-V23 PolarHBondContact O-N 3.29Å
20	V	36.6	Very low	43.7	Very low	72 Å²	72	110.9 Å²	110.9	44%	0.436	58%	0.584	S	S	.	*	H	α-helix	trans	-70.7	-28.4	169.7	170.5	0	0	0	0	111.3	L16 R24	L16-V20 VanDerWaalsContact O-CB 3.23Å; L16-V20 WeakPolarHBondContact O-CB 3.3Å; L16-V20 WeakPolarHBondContact O-CG2 3.37Å; L16-V20 PolarHBondContact O-N 3.2Å; V20-R24 VanDerWaalsContact O-CB 3.24Å; V20-R24 WeakPolarHBondContact O-CB 3.41Å; V20-R24 WeakPolarHBondContact O-CG 3.5Å; V20-R24 PolarHBondContact O-N 2.95Å
21	A	36.9	Very low	45.5	Very low	63 Å²	63	112.7 Å²	112.7	52%	0.521	59%	0.592	S	S	.	*	H	α-helix	trans	-75.8	-40	170.8	0	0	0	0	0	112.3	L17 A18 F19 R24 A25	L17-A21 WeakPolarHBondContact O-CB 3.47Å; L17-A21 PolarHBondContact O-N 3.48Å; A18-A21 PolarHBondContact O-N 2.8Å; F19-A21 VanDerWaalsContact C-N 3.31Å; A21-R24 CarbonylContact O-C 3.5Å; A21-R24 PolarHBondContact O-N 2.97Å; A21-A25 PolarHBondContact O-N 2.9Å
22	A	34.2	Very low	47.6	Very low	68 Å²	68	107.3 Å²	107.3	56%	0.562	57%	0.568	S	S	*	*	H	α-helix	trans	-75	-32.8	178.4	0	0	0	0	0	112.8	A18 F19 R24 A25	A18-A22 WeakPolarHBondContact O-CB 3.46Å; A18-A22 PolarHBondContact O-N 2.88Å; F19-A22 PolarHBondContact O-N 3.05Å; A22-R24 PolarHBondContact O-N 2.82Å; A22-A25 PolarHBondContact O-N 2.03Å
23	V	31.5	Very low	49.9	Very low	89 Å²	89	102.4 Å²	102.4	54%	0.539	54%	0.543	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-3.2	171.3	-179.8	0	0	0	0	111.5	F19	F19-V23 HydrophobicContact CD1-CG2 3.77Å; F19-V23 HydrophobicContact CE1-CG2 3.59Å; F19-V23 HydrophobicContact CE2-CG2 4.42Å; F19-V23 HydrophobicContact CG-CG2 4.28Å; F19-V23 HydrophobicContact CZ-CG2 3.94Å; F19-V23 WeakPolarHBondContact O-CB 3.47Å; F19-V23 WeakPolarHBondContact O-CG2 3.36Å; F19-V23 PolarHBondContact O-N 3.29Å
24	R	32.3	Very low	52.2	Low	188 Å²	188	96.1 Å²	96.1	71%	0.709	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.4	13.6	168.4	-84.9	-176.7	166.2	172.1	-3.2	114.6	V20 A21 A22 H26	V20-R24 VanDerWaalsContact O-CB 3.24Å; V20-R24 WeakPolarHBondContact O-CB 3.41Å; V20-R24 WeakPolarHBondContact O-CG 3.5Å; V20-R24 PolarHBondContact O-N 2.95Å; A21-R24 CarbonylContact O-C 3.5Å; A21-R24 PolarHBondContact O-N 2.97Å; A22-R24 PolarHBondContact O-N 2.82Å; R24-H26 PolarHBondContact O-N 2.79Å
25	A	32.6	Very low	54.1	Low	83 Å²	83	93.7 Å²	93.7	69%	0.686	50%	0.502	S	S	*	.			trans	-78.1	52.6	160.3	0	0	0	0	0	109.8	A21 A22	A21-A25 PolarHBondContact O-N 2.9Å; A22-A25 PolarHBondContact O-N 2.03Å
26	H	36.1	Very low	56.3	Low	155 Å²	155	85.9 Å²	85.9	72%	0.718	47%	0.472	S	S	*	.	S	Bend	trans	-73.6	126	146.2	-74.1	54.4	0	0	0	103.5	R24 R28	R24-H26 PolarHBondContact O-N 2.79Å; H26-R28 PolarHBondContact O-N 2.8Å
27	S	46.8	Very low	58.5	Low	99 Å²	99	86.1 Å²	86.1	69%	0.692	47%	0.47	S	S	*	.			trans	-34.9	107.2	165.6	36.2	0	0	0	0	108.3	L29	S27-L29 PolarHBondContact O-N 2.86Å
28	R	50.3	Low	60.3	Low	233 Å²	233	84.1 Å²	84.1	88%	0.879	47%	0.466	S	S	*	.			trans	-69.4	93.2	177.4	-91	-174.1	171	-172.8	-2.9	105.4	H26 L30	H26-R28 PolarHBondContact O-N 2.8Å; R28-L30 PolarHBondContact O-N 2.86Å
29	L	62.5	Low	62.4	Low	99 Å²	99	85.7 Å²	85.7	52%	0.518	47%	0.467	S	S	.	.			trans	-44.8	126.6	172.2	-71.5	168.8	0	0	0	109	S27 H174	S27-L29 PolarHBondContact O-N 2.86Å; L29-H174 WeakPolarHBondContact CD2-CD2 3.03Å; L29-H174 WeakPolarHBondContact CD2-NE2 3.05Å
30	L	79.2	Confident	64.9	Low	43 Å²	43	81 Å²	81	23%	0.225	45%	0.451	C	S	.	.			trans	-63.1	149.1	177.9	-73.1	173.7	0	0	0	109.6	R28 G32 S33 I175 P177	R28-L30 PolarHBondContact O-N 2.86Å; L30-G32 PolarHBondContact O-N 2.88Å; L30-S33 WeakPolarHBondContact O-CB 2.97Å; L30-S33 PolarHBondContact O-N 2.77Å; L30-S33 PolarHBondContact O-OG 3.32Å; L30-I175 HydrophobicContact CB-CB 4.13Å; L30-I175 HydrophobicContact CB-CG2 4.05Å; L30-I175 HydrophobicContact CD1-CG2 4.03Å; L30-P177 HydrophobicContact CD1-CB 4.26Å
31	P	84.9	Confident	67.5	Low	86 Å²	86	79.6 Å²	79.6	56%	0.558	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49	133.3	173.3	-25.8	34.3	0	0	0	111.1	L93	P31-L93 HydrophobicContact CB-CD2 4.14Å; P31-L93 WeakPolarHBondContact O-CD2 2.93Å
32	G	86.8	Confident	70	Confident	7 Å²	7	78.7 Å²	78.7	7%	0.072	44%	0.441	C	S	.	.	T	Hydrogen-bonded Turn	trans	98.4	-11.9	-172.8	0	0	0	0	0	114.4	L30 Y43	L30-G32 PolarHBondContact O-N 2.88Å; G32-Y43 VanDerWaalsContact O-CE2 3.27Å; G32-Y43 WeakPolarHBondContact O-CE2 3.37Å; G32-Y43 PolarHBondContact O-OH 2.85Å
33	S	92	Very high	72.9	Confident	17 Å²	17	75.7 Å²	75.7	12%	0.119	42%	0.415	C	S	.	.			trans	-70.9	139.8	168.4	-52.6	0	0	0	0	111.2	L30 I173 I175	L30-S33 WeakPolarHBondContact O-CB 2.97Å; L30-S33 PolarHBondContact O-N 2.77Å; L30-S33 PolarHBondContact O-OG 3.32Å; S33-I173 CarbonylContact C-O 3.4Å; S33-I173 WeakPolarHBondContact CA-O 2.97Å; S33-I175 PolarHBondContact OG-N 2.96Å
34	C	92.5	Very high	75.9	Confident	5 Å²	5	74.9 Å²	74.9	3%	0.034	41%	0.41	C	S	.	.	B	Isolated β-bridge	trans	-154.1	129.9	178.2	-164.4	0	0	0	0	112.5	F36 T40 C41 Y43 E172 I173	C34-F36 HydrophobicContact CB-CD1 4.47Å; C34-F36 HydrophobicContact CB-CE1 4.13Å; C34-F36 HydrophobicContact CB-CE2 4.24Å; C34-F36 HydrophobicContact CB-CZ 4.01Å; C34-F36 WeakPolarHBondContact SG-CD1 3.37Å; C34-F36 VanDerWaalsContact SG-CE1 3.53Å; C34-T40 VanDerWaalsContact SG-C 3.58Å; C34-C41 WeakPolarHBondContact CA-SG 3.3Å; C34-C41 HydrophobicContact CB-CB 3.48Å; C34-C41 VanDerWaalsContact CB-CB 3.48Å; C34-C41 WeakPolarHBondContact CB-SG 3.38Å; C34-C41 WeakPolarHBondContact SG-CB 3.4Å; C34-C41 CovalentContact SG-SG 2.04Å; C34-C41 PolarHBondContact SG-SG 3.48Å; C34-Y43 HydrophobicContact CB-CD2 4.24Å; C34-Y43 HydrophobicContact CB-CE2 4.03Å; C34-E172 WeakPolarHBondContact O-CA 3.37Å; C34-I173 PolarHBondContact N-O 3.47Å; C34-I173 PolarHBondContact O-N 2.77Å
35	N	90.3	Very high	78.8	Confident	60 Å²	60	67.9 Å²	67.9	32%	0.321	39%	0.39	S	S	.	.			trans	-98.5	2.8	174.5	69.5	-6.3	0	0	0	113.5	E37	N35-E37 HydrophobicContact CB-CG 4.38Å; N35-E37 WeakPolarHBondContact ND2-CG 3.39Å; N35-E37 PolarHBondContact ND2-OE2 2.87Å; N35-E37 PolarHBondContact O-N 2.89Å; N35-E37 PolarHBondContact OD1-N 2.85Å
36	F	90.9	Very high	81.5	Confident	1 Å²	1	65.4 Å²	65.4	0%	0.004	37%	0.365	C	S	.	.			trans	51.1	18.3	178.6	-58.2	-70.8	0	0	0	116.6	C34 L54 V61 I170 F171 I173	C34-F36 HydrophobicContact CB-CD1 4.47Å; C34-F36 HydrophobicContact CB-CE1 4.13Å; C34-F36 HydrophobicContact CB-CE2 4.24Å; C34-F36 HydrophobicContact CB-CZ 4.01Å; C34-F36 WeakPolarHBondContact SG-CD1 3.37Å; C34-F36 VanDerWaalsContact SG-CE1 3.53Å; F36-L54 HydrophobicContact CB-CD1 3.98Å; F36-L54 HydrophobicContact CD1-CD1 4.37Å; F36-V61 HydrophobicContact CD1-CB 4.48Å; F36-V61 HydrophobicContact CD1-CG1 3.49Å; F36-V61 VanDerWaalsContact CD1-CG1 3.49Å; F36-V61 HydrophobicContact CD1-CG2 4.21Å; F36-V61 HydrophobicContact CD2-CG2 4.3Å; F36-V61 HydrophobicContact CE1-CB 4.46Å; F36-V61 HydrophobicContact CE1-CG1 3.71Å; F36-V61 HydrophobicContact CE1-CG2 3.87Å; F36-V61 HydrophobicContact CE2-CG2 3.97Å; F36-V61 HydrophobicContact CG-CG1 4.06Å; F36-V61 HydrophobicContact CG-CG2 4.42Å; F36-V61 HydrophobicContact CZ-CG1 4.43Å; F36-V61 HydrophobicContact CZ-CG2 3.73Å; F36-I170 HydrophobicContact CE2-CB 4.47Å; F36-I170 HydrophobicContact CE2-CG2 3.93Å; F36-F171 WeakPolarHBondContact CD2-O 3.21Å; F36-I173 HydrophobicContact CE2-CD1 4.09Å; F36-I173 HydrophobicContact CE2-CG1 4.09Å; F36-I173 HydrophobicContact CZ-CD1 3.9Å; F36-I173 HydrophobicContact CZ-CG1 4.4Å
37	E	86.8	Confident	83.9	Confident	120 Å²	120	62.8 Å²	62.8	56%	0.561	37%	0.37	S	S	*	.	S	Bend	trans	-67.1	-44.3	-175.6	-75.1	-178.6	162	0	0	112.7	N35 H59	N35-E37 HydrophobicContact CB-CG 4.38Å; N35-E37 WeakPolarHBondContact ND2-CG 3.39Å; N35-E37 PolarHBondContact ND2-OE2 2.87Å; N35-E37 PolarHBondContact O-N 2.89Å; N35-E37 PolarHBondContact OD1-N 2.85Å; E37-H59 WeakPolarHBondContact CA-ND1 3.29Å; E37-H59 HydrophobicContact CG-CB 4.47Å; E37-H59 PolarHBondContact O-ND1 2.92Å
38	S	81.8	Confident	85.4	Confident	82 Å²	82	64.2 Å²	64.2	57%	0.573	37%	0.371	S	S	*	.	S	Bend	trans	-121	-27.6	-172.3	64.1	0	0	0	0	114.5
39	N	87.9	Confident	87.1	Confident	84 Å²	84	57.4 Å²	57.4	45%	0.449	35%	0.347	S	S	.	.	S	Bend	trans	-158	179.1	-177.3	64	65.3	0	0	0	110.6	C41	N39-C41 VanDerWaalsContact C-N 3.32Å; N39-C41 PolarHBondContact O-N 2.68Å; N39-C41 VanDerWaalsContact OD1-CA 3.29Å; N39-C41 WeakPolarHBondContact OD1-CA 3.13Å; N39-C41 PolarHBondContact OD1-N 2.73Å
40	T	89.7	Confident	88.4	Confident	48 Å²	48	55.6 Å²	55.6	29%	0.294	34%	0.34	S	S	.	.			trans	-88.2	9.9	-179.1	61.4	0	0	0	0	114.1	C34 G42 Y43 L54	C34-T40 VanDerWaalsContact SG-C 3.58Å; T40-G42 PolarHBondContact O-N 2.88Å; T40-Y43 WeakPolarHBondContact CB-O 3.43Å; T40-Y43 VanDerWaalsContact O-CB 3.24Å; T40-Y43 WeakPolarHBondContact O-CB 3.34Å; T40-Y43 VanDerWaalsContact O-CD2 3.28Å; T40-Y43 WeakPolarHBondContact O-CD2 3.14Å; T40-Y43 PolarHBondContact O-N 2.79Å; T40-Y43 PolarHBondContact OG1-O 2.79Å; T40-L54 HydrophobicContact CG2-CB 4.49Å; T40-L54 HydrophobicContact CG2-CD2 4.4Å
41	C	90.9	Very high	88.9	Confident	41 Å²	41	56.8 Å²	56.8	28%	0.277	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.3	30.3	179.3	-39.8	0	0	0	0	114.8	C34 N39	C34-C41 WeakPolarHBondContact CA-SG 3.3Å; C34-C41 HydrophobicContact CB-CB 3.48Å; C34-C41 VanDerWaalsContact CB-CB 3.48Å; C34-C41 WeakPolarHBondContact CB-SG 3.38Å; C34-C41 WeakPolarHBondContact SG-CB 3.4Å; C34-C41 CovalentContact SG-SG 2.04Å; C34-C41 PolarHBondContact SG-SG 3.48Å; N39-C41 VanDerWaalsContact C-N 3.32Å; N39-C41 PolarHBondContact O-N 2.68Å; N39-C41 VanDerWaalsContact OD1-CA 3.29Å; N39-C41 WeakPolarHBondContact OD1-CA 3.13Å; N39-C41 PolarHBondContact OD1-N 2.73Å
42	G	90.1	Very high	89.3	Confident	45 Å²	45	53.5 Å²	53.5	46%	0.464	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.6	1.7	-177	0	0	0	0	0	115	T40	T40-G42 PolarHBondContact O-N 2.88Å
43	Y	94.4	Very high	89.6	Confident	4 Å²	4	56 Å²	56	2%	0.016	34%	0.343	C	S	.	.			trans	-67.6	138.1	166.3	-75.7	-96	0	0	0	111	G32 C34 T40 L88 L89 S90 I173	G32-Y43 VanDerWaalsContact O-CE2 3.27Å; G32-Y43 WeakPolarHBondContact O-CE2 3.37Å; G32-Y43 PolarHBondContact O-OH 2.85Å; C34-Y43 HydrophobicContact CB-CD2 4.24Å; C34-Y43 HydrophobicContact CB-CE2 4.03Å; T40-Y43 WeakPolarHBondContact CB-O 3.43Å; T40-Y43 VanDerWaalsContact O-CB 3.24Å; T40-Y43 WeakPolarHBondContact O-CB 3.34Å; T40-Y43 VanDerWaalsContact O-CD2 3.28Å; T40-Y43 WeakPolarHBondContact O-CD2 3.14Å; T40-Y43 PolarHBondContact O-N 2.79Å; T40-Y43 PolarHBondContact OG1-O 2.79Å; Y43-L88 HydrophobicContact CD1-CD1 4.48Å; Y43-L88 HydrophobicContact CD1-CD2 3.97Å; Y43-L88 HydrophobicContact CD1-CG 3.8Å; Y43-L88 HydrophobicContact CG-CD2 4.44Å; Y43-L88 HydrophobicContact CG-CG 4.39Å; Y43-L89 VanDerWaalsContact CA-O 3.23Å; Y43-L89 WeakPolarHBondContact CA-O 3.08Å; Y43-L89 WeakPolarHBondContact CD1-O 3.06Å; Y43-S90 VanDerWaalsContact CD1-CA 3.45Å; Y43-S90 VanDerWaalsContact CE1-CA 3.45Å; Y43-S90 VanDerWaalsContact CE1-CB 3.46Å; Y43-I173 HydrophobicContact CE1-CD1 3.88Å; Y43-I173 HydrophobicContact CE2-CD1 4.13Å; Y43-I173 WeakPolarHBondContact OH-CD1 3.33Å
44	T	94.9	Very high	89.6	Confident	72 Å²	72	57.5 Å²	57.5	44%	0.442	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	141.6	-177.7	57.8	0	0	0	0	111	L89	T44-L89 PolarHBondContact N-O 3.21Å; T44-L89 PolarHBondContact O-N 3.01Å
45	S	93.9	Very high	89.5	Confident	42 Å²	42	59.8 Å²	59.8	29%	0.294	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	140.2	169.6	-63.8	0	0	0	0	110.7	W52 I87	S45-W52 PolarHBondContact OG-N 3.29Å; S45-I87 WeakPolarHBondContact CA-O 3.36Å
46	D	89.4	Confident	89.1	Confident	30 Å²	30	65.8 Å²	65.8	16%	0.16	38%	0.378	C	S	.	.			trans	-67	136	170	-161	-59.5	0	0	0	109.9	D48 F49 I87 L89 R118	D46-D48 VanDerWaalsContact C-N 3.29Å; D46-D48 PolarHBondContact O-N 3.46Å; D46-D48 PolarHBondContact OD1-N 2.83Å; D46-F49 HydrophobicContact CB-CD2 3.97Å; D46-F49 PolarHBondContact O-N 3.03Å; D46-I87 HydrophobicContact CB-CB 3.75Å; D46-I87 HydrophobicContact CB-CG2 4Å; D46-I87 PolarHBondContact N-O 2.85Å; D46-L89 HydrophobicContact CB-CD1 4.36Å; D46-R118 IonicContact OD2-NH1 3.64Å
47	A	84.8	Confident	88.6	Confident	100 Å²	100	73.9 Å²	73.9	83%	0.826	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-22.7	-171.1	0	0	0	0	0	113.2	F49	A47-F49 PolarHBondContact O-N 2.8Å
48	D	80.1	Confident	87.9	Confident	130 Å²	130	69.5 Å²	69.5	70%	0.695	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-3.3	-178.8	-63.9	-25.5	0	0	0	112.5	D46	D46-D48 VanDerWaalsContact C-N 3.29Å; D46-D48 PolarHBondContact O-N 3.46Å; D46-D48 PolarHBondContact OD1-N 2.83Å
49	F	86.2	Confident	88.2	Confident	89 Å²	89	69.3 Å²	69.3	39%	0.39	40%	0.398	S	S	.	.	S	Bend	trans	-127.5	169.6	-171.5	-67.6	-85.9	0	0	0	112.5	D46 A47 S51 T85 I87	D46-F49 HydrophobicContact CB-CD2 3.97Å; D46-F49 PolarHBondContact O-N 3.03Å; A47-F49 PolarHBondContact O-N 2.8Å; F49-S51 PolarHBondContact O-N 2.93Å; F49-T85 WeakPolarHBondContact CB-O 3.19Å; F49-T85 HydrophobicContact CD1-CG2 3.89Å; F49-T85 HydrophobicContact CE1-CG2 4.2Å; F49-I87 HydrophobicContact CB-CG1 4.35Å; F49-I87 HydrophobicContact CD1-CD1 4.11Å; F49-I87 HydrophobicContact CD1-CG1 4.12Å; F49-I87 HydrophobicContact CD2-CB 4.3Å; F49-I87 HydrophobicContact CD2-CD1 3.54Å; F49-I87 HydrophobicContact CD2-CG1 3.89Å; F49-I87 HydrophobicContact CE1-CD1 3.95Å; F49-I87 HydrophobicContact CE1-CG1 4.41Å; F49-I87 HydrophobicContact CE2-CD1 3.36Å; F49-I87 HydrophobicContact CE2-CG1 4.21Å; F49-I87 HydrophobicContact CG-CB 4.4Å; F49-I87 HydrophobicContact CG-CD1 3.91Å; F49-I87 HydrophobicContact CG-CG1 3.83Å; F49-I87 HydrophobicContact CZ-CD1 3.57Å; F49-I87 HydrophobicContact CZ-CG1 4.45Å
50	T	88.8	Confident	88.4	Confident	61 Å²	61	67.1 Å²	67.1	37%	0.374	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-60.3	132.5	173.4	-55	0	0	0	0	109.7	V63 A84 T85 G86	T50-V63 HydrophobicContact CG2-CG2 3.93Å; T50-A84 HydrophobicContact CG2-CB 4.49Å; T50-T85 WeakPolarHBondContact CB-O 3.29Å; T50-T85 PolarHBondContact N-O 2.55Å; T50-T85 PolarHBondContact OG1-O 3.22Å; T50-G86 WeakPolarHBondContact O-CA 3.38Å
51	S	90.6	Very high	88.6	Confident	69 Å²	69	64.9 Å²	64.9	48%	0.483	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-69.1	136.9	179.5	59.5	0	0	0	0	111.6	F49 T53	F49-S51 PolarHBondContact O-N 2.93Å; S51-T53 PolarHBondContact O-N 3.05Å
52	W	93.3	Very high	88.8	Confident	17 Å²	17	62.9 Å²	62.9	6%	0.064	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-71.1	122.5	162.7	-73.4	75.1	0	0	0	109.6	S45 V61 A62 V63 G86 L88 I156 V168 I170	S45-W52 PolarHBondContact OG-N 3.29Å; W52-V61 HydrophobicContact CE3-CB 4.2Å; W52-V61 HydrophobicContact CE3-CG2 3.98Å; W52-V61 HydrophobicContact CZ3-CG2 4.37Å; W52-A62 CarbonylContact C-O 3.59Å; W52-A62 WeakPolarHBondContact CA-O 3.27Å; W52-V63 HydrophobicContact CD2-CB 4.39Å; W52-V63 HydrophobicContact CH2-CG1 4.44Å; W52-V63 HydrophobicContact CZ2-CG1 4.3Å; W52-G86 PolarHBondContact NE1-O 3.06Å; W52-L88 HydrophobicContact CB-CD1 3.94Å; W52-L88 HydrophobicContact CD2-CB 3.98Å; W52-L88 HydrophobicContact CD2-CD2 4.32Å; W52-L88 HydrophobicContact CE3-CD2 4.44Å; W52-L88 HydrophobicContact CG-CB 3.88Å; W52-L88 HydrophobicContact CG-CD1 4.03Å; W52-L88 HydrophobicContact CG-CG 4.36Å; W52-L88 HydrophobicContact CZ2-CB 4.41Å; W52-I156 HydrophobicContact CH2-CG2 4.24Å; W52-I156 HydrophobicContact CZ2-CG2 4.12Å; W52-V168 HydrophobicContact CH2-CG1 4.08Å; W52-I170 HydrophobicContact CE3-CD1 4.4Å; W52-I170 HydrophobicContact CH2-CD1 3.6Å; W52-I170 HydrophobicContact CH2-CG1 4.02Å; W52-I170 HydrophobicContact CZ2-CD1 4.47Å; W52-I170 HydrophobicContact CZ3-CD1 3.57Å; W52-I170 HydrophobicContact CZ3-CG1 3.77Å
53	T	92.5	Very high	88.9	Confident	60 Å²	60	60.8 Å²	60.8	37%	0.368	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	135.7	-177.6	46.6	0	0	0	0	110.6	S51 H55 V61 A62	S51-T53 PolarHBondContact O-N 3.05Å; T53-H55 PolarHBondContact O-CD2 3.01Å; T53-H55 VanDerWaalsContact O-CD2 3.3Å; T53-H55 PolarHBondContact OG1-NE2 3.14Å; T53-V61 CarbonylContact O-C 3.45Å; T53-V61 VanDerWaalsContact O-CA 3.22Å; T53-V61 WeakPolarHBondContact O-CA 3.38Å; T53-A62 PolarHBondContact N-O 3.37Å; T53-A62 PolarHBondContact O-N 3.03Å; T53-A62 PolarHBondContact OG1-O 3.48Å
54	L	92.2	Very high	88.7	Confident	48 Å²	48	64.8 Å²	64.8	25%	0.251	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	115.1	174.1	179.9	68.8	0	0	0	109.9	F36 T40 R56 V61	F36-L54 HydrophobicContact CB-CD1 3.98Å; F36-L54 HydrophobicContact CD1-CD1 4.37Å; T40-L54 HydrophobicContact CG2-CB 4.49Å; T40-L54 HydrophobicContact CG2-CD2 4.4Å; L54-R56 PolarHBondContact O-N 3.14Å; L54-V61 HydrophobicContact CB-CG1 4.29Å; L54-V61 HydrophobicContact CD1-CG1 3.7Å
55	H	90.6	Very high	88	Confident	53 Å²	53	62.7 Å²	62.7	25%	0.245	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	98.7	177.7	-66.5	-107.3	0	0	0	109.4	T53 D57 G58 H59 F60 E64	T53-H55 PolarHBondContact O-CD2 3.01Å; T53-H55 VanDerWaalsContact O-CD2 3.3Å; T53-H55 PolarHBondContact OG1-NE2 3.14Å; H55-D57 VanDerWaalsContact C-N 3.27Å; H55-D57 PolarHBondContact O-N 2.9Å; H55-G58 PolarHBondContact O-N 3.07Å; H55-H59 PolarHBondContact O-N 3.04Å; H55-F60 HydrophobicContact CB-CD1 4.31Å; H55-F60 HydrophobicContact CB-CD2 4.12Å; H55-F60 HydrophobicContact CB-CE1 3.95Å; H55-F60 HydrophobicContact CB-CE2 3.74Å; H55-F60 HydrophobicContact CB-CG 4.38Å; H55-F60 HydrophobicContact CB-CZ 3.64Å; H55-F60 AromaticContact CD2-CE2 3.54Å; H55-F60 AromaticContact CG-CE2 3.52Å; H55-F60 AromaticContact CG-CZ 3.68Å; H55-F60 PolarHBondContact N-O 3.37Å; H55-E64 IonicContact CE1-OE1 2.64Å; H55-E64 PolarHBondContact CE1-OE1 2.73Å; H55-E64 VanDerWaalsContact CE1-OE1 3.29Å; H55-E64 IonicContact CE1-OE2 3.6Å; H55-E64 IonicContact NE2-OE1 3.46Å
56	R	81.6	Confident	86.7	Confident	185 Å²	185	65.4 Å²	65.4	70%	0.698	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-29.3	-174.5	-67.4	-179.1	-180	-108.8	-1.1	114	L54 G58 H59	L54-R56 PolarHBondContact O-N 3.14Å; R56-G58 VanDerWaalsContact C-N 3.31Å; R56-H59 PolarHBondContact O-CE1 2.72Å
57	D	79.1	Confident	85	Confident	172 Å²	172	68 Å²	68	92%	0.92	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-18.8	-178.1	-59.2	-30.9	0	0	0	112.5	H55	H55-D57 VanDerWaalsContact C-N 3.27Å; H55-D57 PolarHBondContact O-N 2.9Å
58	G	72.2	Confident	83.1	Confident	27 Å²	27	70.6 Å²	70.6	28%	0.278	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.4	-3.8	179.8	0	0	0	0	0	114.9	H55 R56 F60	H55-G58 PolarHBondContact O-N 3.07Å; R56-G58 VanDerWaalsContact C-N 3.31Å; G58-F60 WeakPolarHBondContact O-CD1 3.43Å; G58-F60 PolarHBondContact O-N 2.87Å
59	H	87.9	Confident	81.3	Confident	78 Å²	78	71 Å²	71	36%	0.361	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.4	45	-178.8	-54.2	-63.9	0	0	0	113.8	E37 H55 R56 F171	E37-H59 WeakPolarHBondContact CA-ND1 3.29Å; E37-H59 HydrophobicContact CG-CB 4.47Å; E37-H59 PolarHBondContact O-ND1 2.92Å; H55-H59 PolarHBondContact O-N 3.04Å; R56-H59 PolarHBondContact O-CE1 2.72Å; H59-F171 HydrophobicContact CB-CE2 4.43Å
60	F	92.7	Very high	79	Confident	38 Å²	38	71.1 Å²	71.1	17%	0.167	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	162	177.3	65.2	-96.6	0	0	0	111.6	H55 G58 A62 W138 I170 F171	H55-F60 HydrophobicContact CB-CD1 4.31Å; H55-F60 HydrophobicContact CB-CD2 4.12Å; H55-F60 HydrophobicContact CB-CE1 3.95Å; H55-F60 HydrophobicContact CB-CE2 3.74Å; H55-F60 HydrophobicContact CB-CG 4.38Å; H55-F60 HydrophobicContact CB-CZ 3.64Å; H55-F60 AromaticContact CD2-CE2 3.54Å; H55-F60 AromaticContact CG-CE2 3.52Å; H55-F60 AromaticContact CG-CZ 3.68Å; H55-F60 PolarHBondContact N-O 3.37Å; G58-F60 WeakPolarHBondContact O-CD1 3.43Å; G58-F60 PolarHBondContact O-N 2.87Å; F60-A62 HydrophobicContact CD2-CB 4.05Å; F60-A62 HydrophobicContact CE2-CB 3.86Å; F60-W138 HydrophobicContact CB-CH2 3.91Å; F60-W138 HydrophobicContact CB-CZ2 4.47Å; F60-W138 HydrophobicContact CD1-CH2 4.3Å; F60-W138 HydrophobicContact CD1-CZ2 4.24Å; F60-W138 HydrophobicContact CD2-CH2 4.49Å; F60-W138 HydrophobicContact CG-CH2 4.01Å; F60-W138 HydrophobicContact CG-CZ2 4.41Å; F60-I170 WeakPolarHBondContact CA-O 3.04Å; F60-I170 VanDerWaalsContact CB-O 3.28Å; F60-I170 WeakPolarHBondContact CB-O 3.39Å; F60-F171 HydrophobicContact CB-CD2 4.29Å
61	V	94.6	Very high	76.7	Confident	1 Å²	1	77.8 Å²	77.8	1%	0.006	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	141.2	168.8	-67	0	0	0	0	110.6	F36 W52 T53 L54 L88 S169 I170	F36-V61 HydrophobicContact CD1-CB 4.48Å; F36-V61 HydrophobicContact CD1-CG1 3.49Å; F36-V61 VanDerWaalsContact CD1-CG1 3.49Å; F36-V61 HydrophobicContact CD1-CG2 4.21Å; F36-V61 HydrophobicContact CD2-CG2 4.3Å; F36-V61 HydrophobicContact CE1-CB 4.46Å; F36-V61 HydrophobicContact CE1-CG1 3.71Å; F36-V61 HydrophobicContact CE1-CG2 3.87Å; F36-V61 HydrophobicContact CE2-CG2 3.97Å; F36-V61 HydrophobicContact CG-CG1 4.06Å; F36-V61 HydrophobicContact CG-CG2 4.42Å; F36-V61 HydrophobicContact CZ-CG1 4.43Å; F36-V61 HydrophobicContact CZ-CG2 3.73Å; W52-V61 HydrophobicContact CE3-CB 4.2Å; W52-V61 HydrophobicContact CE3-CG2 3.98Å; W52-V61 HydrophobicContact CZ3-CG2 4.37Å; T53-V61 CarbonylContact O-C 3.45Å; T53-V61 VanDerWaalsContact O-CA 3.22Å; T53-V61 WeakPolarHBondContact O-CA 3.38Å; L54-V61 HydrophobicContact CB-CG1 4.29Å; L54-V61 HydrophobicContact CD1-CG1 3.7Å; V61-L88 HydrophobicContact CG2-CD2 4.07Å; V61-S169 CarbonylContact O-C 3.57Å; V61-S169 VanDerWaalsContact O-CA 3.3Å; V61-S169 WeakPolarHBondContact O-CA 3.21Å; V61-I170 HydrophobicContact CG2-CB 3.9Å; V61-I170 HydrophobicContact CG2-CD1 4.41Å; V61-I170 PolarHBondContact N-O 2.8Å; V61-I170 PolarHBondContact O-N 2.84Å
62	A	93.9	Very high	74.3	Confident	0 Å²	0	78.1 Å²	78.1	0%	0	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	155.1	-179.7	0	0	0	0	0	113	W52 T53 F60 E64 V168 S169	W52-A62 CarbonylContact C-O 3.59Å; W52-A62 WeakPolarHBondContact CA-O 3.27Å; T53-A62 PolarHBondContact N-O 3.37Å; T53-A62 PolarHBondContact O-N 3.03Å; T53-A62 PolarHBondContact OG1-O 3.48Å; F60-A62 HydrophobicContact CD2-CB 4.05Å; F60-A62 HydrophobicContact CE2-CB 3.86Å; A62-E64 HydrophobicContact CB-CG 4.11Å; A62-V168 CarbonylContact C-O 3.54Å; A62-V168 VanDerWaalsContact CA-O 3.29Å; A62-V168 WeakPolarHBondContact CA-O 3.47Å; A62-S169 WeakPolarHBondContact CB-OG 3.42Å
63	V	93.6	Very high	71.4	Confident	1 Å²	1	82.8 Å²	82.8	1%	0.006	48%	0.483	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	126.2	159.2	67.1	0	0	0	0	108	T50 W52 A84 S167 V168	T50-V63 HydrophobicContact CG2-CG2 3.93Å; W52-V63 HydrophobicContact CD2-CB 4.39Å; W52-V63 HydrophobicContact CH2-CG1 4.44Å; W52-V63 HydrophobicContact CZ2-CG1 4.3Å; V63-A84 HydrophobicContact CG2-CB 4.39Å; V63-S167 WeakPolarHBondContact O-CA 3.32Å; V63-V168 HydrophobicContact CG1-CB 3.98Å; V63-V168 PolarHBondContact N-O 3.15Å; V63-V168 PolarHBondContact O-N 2.61Å
64	E	88.9	Confident	68.9	Low	88 Å²	88	86.2 Å²	86.2	41%	0.411	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	151.8	-171.3	-57.6	-177.1	161	0	0	110	H55 A62 A66 A84	H55-E64 IonicContact CE1-OE1 2.64Å; H55-E64 PolarHBondContact CE1-OE1 2.73Å; H55-E64 VanDerWaalsContact CE1-OE1 3.29Å; H55-E64 IonicContact CE1-OE2 3.6Å; H55-E64 IonicContact NE2-OE1 3.46Å; A62-E64 HydrophobicContact CB-CG 4.11Å; E64-A66 PolarHBondContact O-N 2.96Å; E64-A84 WeakPolarHBondContact O-CB 3.48Å
65	T	81.8	Confident	66.3	Low	28 Å²	28	87 Å²	87	17%	0.172	53%	0.528	C	S	.	.	P	Polyproline II helix	trans	-64.2	128.9	165.1	48.9	0	0	0	0	109.8	S67 A160 G161 S166	T65-S67 PolarHBondContact O-N 3.09Å; T65-S67 VanDerWaalsContact O-N 3.08Å; T65-A160 HydrophobicContact CG2-CB 4.03Å; T65-G161 WeakPolarHBondContact CG2-O 3.23Å; T65-S166 PolarHBondContact N-O 3.08Å; T65-S166 PolarHBondContact OG1-O 2.88Å
66	A	64.9	Low	63.9	Low	98 Å²	98	90.8 Å²	90.8	81%	0.81	56%	0.561	S	S	*	*	P	Polyproline II helix	trans	-52.6	118.7	172.6	0	0	0	0	0	110.1	E64	E64-A66 PolarHBondContact O-N 2.96Å
67	S	54.3	Low	61.7	Low	84 Å²	84	84.9 Å²	84.9	59%	0.587	56%	0.558	S	S	*	*	P	Polyproline II helix	trans	-81	145.5	167.5	60.6	0	0	0	0	109.3	T65 D69	T65-S67 PolarHBondContact O-N 3.09Å; T65-S67 VanDerWaalsContact O-N 3.08Å; S67-D69 PolarHBondContact O-N 2.9Å; S67-D69 PolarHBondContact OG-OD2 3.47Å
68	D	46.1	Very low	59.8	Low	156 Å²	156	85.2 Å²	85.2	83%	0.834	56%	0.558	S	S	*	*	S	Bend	trans	-69.6	25.6	178.9	-74.8	-40	0	0	0	113.5	A70	D68-A70 PolarHBondContact O-N 2.68Å
69	D	41	Very low	58.4	Low	138 Å²	138	91 Å²	91	74%	0.738	58%	0.578	S	S	*	*			trans	-95.2	19.7	-174	-62.7	-42.4	0	0	0	113.7	S67 E71	S67-D69 PolarHBondContact O-N 2.9Å; S67-D69 PolarHBondContact OG-OD2 3.47Å; D69-E71 PolarHBondContact O-N 2.92Å
70	A	37.3	Very low	56.4	Low	92 Å²	92	92.4 Å²	92.4	76%	0.76	59%	0.594	S	S	*	*	S	Bend	trans	-83	89.7	160.5	0	0	0	0	0	108.6	D68 G72	D68-A70 PolarHBondContact O-N 2.68Å; A70-G72 PolarHBondContact O-N 2.75Å; A70-G72 VanDerWaalsContact O-N 3.07Å
71	E	41.1	Very low	54.5	Low	201 Å²	201	97.3 Å²	97.3	94%	0.939	62%	0.615	S	S	*	*			trans	-46.8	115.5	172	-74.3	-174.6	150.5	0	0	111.3	D69	D69-E71 PolarHBondContact O-N 2.92Å
72	G	40.5	Very low	52.9	Low	76 Å²	76	107.2 Å²	107.2	78%	0.784	65%	0.652	S	S	*	*			trans	113.8	70.7	158.1	0	0	0	0	0	117	A70	A70-G72 PolarHBondContact O-N 2.75Å; A70-G72 VanDerWaalsContact O-N 3.07Å
73	S	32.3	Very low	51.7	Low	114 Å²	114	112.7 Å²	112.7	80%	0.797	68%	0.678	S	S	*	*			trans	-162.3	103.4	142.9	170.6	0	0	0	0	110.7	G75	S73-G75 PolarHBondContact O-N 3.43Å; S73-G75 VanDerWaalsContact O-N 3.12Å
74	S	41.1	Very low	51.1	Low	132 Å²	132	113.1 Å²	113.1	92%	0.923	68%	0.682	S	S	*	*			trans	-65.3	106.5	165.8	53.2	0	0	0	0	109.8
75	G	35.9	Very low	51.1	Low	64 Å²	64	110.1 Å²	110.1	66%	0.66	67%	0.669	S	S	*	*			trans	-150.8	108.9	173.2	0	0	0	0	0	110.6	S73 G77	S73-G75 PolarHBondContact O-N 3.43Å; S73-G75 VanDerWaalsContact O-N 3.12Å; G75-G77 PolarHBondContact O-N 2.98Å
76	S	41.4	Very low	51.6	Low	134 Å²	134	108.8 Å²	108.8	94%	0.937	66%	0.661	S	S	*	*			trans	-62.7	113.8	174.9	54.3	0	0	0	0	111.5
77	G	34.5	Very low	52.9	Low	61 Å²	61	104.8 Å²	104.8	63%	0.629	63%	0.626	S	S	*	*			trans	-173.3	111.4	167.7	0	0	0	0	0	109.4	G75 E79	G75-G77 PolarHBondContact O-N 2.98Å; G77-E79 PolarHBondContact O-N 3.08Å
78	I	40.6	Very low	54.9	Low	178 Å²	178	101 Å²	101	91%	0.913	60%	0.599	S	S	*	*			trans	-73	85	168.2	-60.6	171.6	0	0	0	105.9
79	E	42.4	Very low	57.2	Low	150 Å²	150	94.2 Å²	94.2	70%	0.701	56%	0.563	S	S	*	*			trans	-76	134.8	160	-74.2	-159.5	159	0	0	108.2	G77 K81	G77-E79 PolarHBondContact O-N 3.08Å; E79-K81 PolarHBondContact O-N 2.8Å
80	P	44.7	Very low	59.7	Low	107 Å²	107	87.7 Å²	87.7	70%	0.695	53%	0.528	S	S	*	.			trans	-61.8	128.3	175.5	24.4	-30.8	0	0	0	109.1	R82	P80-R82 PolarHBondContact O-N 3.14Å
81	K	53.7	Low	62.3	Low	141 Å²	141	85 Å²	85	61%	0.613	50%	0.503	S	S	*	.			trans	-48.5	108.5	173.9	-75.5	-173.5	174.1	-171	0	109	E79	E79-K81 PolarHBondContact O-N 2.8Å
82	R	60.6	Low	64.7	Low	209 Å²	209	78.5 Å²	78.5	79%	0.789	48%	0.479	S	S	*	.			trans	-77.2	136.8	179.5	-73.5	-176.9	175.2	-174.8	0.2	109.1	P80 A84	P80-R82 PolarHBondContact O-N 3.14Å; R82-A84 PolarHBondContact O-N 3.29Å
83	E	68.1	Low	67	Low	114 Å²	114	74.9 Å²	74.9	53%	0.533	44%	0.442	S	S	.	.			trans	-56.1	125.3	168.1	-70.2	178.7	175.5	0	0	109.2	T85 T162	E83-T85 PolarHBondContact O-N 3.07Å; E83-T162 HydrophobicContact CG-CG2 3.88Å
84	A	81.7	Confident	69.4	Low	11 Å²	11	76.7 Å²	76.7	9%	0.091	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	108.9	173.9	0	0	0	0	0	108.2	T50 V63 E64 R82 R159 A160	T50-A84 HydrophobicContact CG2-CB 4.49Å; V63-A84 HydrophobicContact CG2-CB 4.39Å; E64-A84 WeakPolarHBondContact O-CB 3.48Å; R82-A84 PolarHBondContact O-N 3.29Å; A84-R159 WeakPolarHBondContact O-CA 3.38Å; A84-A160 HydrophobicContact CB-CB 4.38Å; A84-A160 PolarHBondContact O-N 2.97Å
85	T	88.4	Confident	70.9	Confident	25 Å²	25	71.1 Å²	71.1	15%	0.153	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	119.7	175.9	-61.9	0	0	0	0	108.8	F49 T50 E83 Q157 G158 R159	F49-T85 WeakPolarHBondContact CB-O 3.19Å; F49-T85 HydrophobicContact CD1-CG2 3.89Å; F49-T85 HydrophobicContact CE1-CG2 4.2Å; T50-T85 WeakPolarHBondContact CB-O 3.29Å; T50-T85 PolarHBondContact N-O 2.55Å; T50-T85 PolarHBondContact OG1-O 3.22Å; E83-T85 PolarHBondContact O-N 3.07Å; T85-Q157 HydrophobicContact CG2-CG 4.22Å; T85-G158 CarbonylContact C-O 3.42Å; T85-G158 WeakPolarHBondContact CA-O 3.26Å; T85-R159 HydrophobicContact CG2-CG 3.95Å
86	G	92.1	Very high	72.6	Confident	0 Å²	0	74.5 Å²	74.5	0%	0	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	143.2	174.1	0	0	0	0	0	111.5	T50 W52 Q157 G158	T50-G86 WeakPolarHBondContact O-CA 3.38Å; W52-G86 PolarHBondContact NE1-O 3.06Å; G86-Q157 WeakPolarHBondContact O-CA 3.4Å; G86-G158 PolarHBondContact N-O 2.8Å; G86-G158 PolarHBondContact O-N 3.09Å
87	I	93.4	Very high	74.5	Confident	13 Å²	13	75.1 Å²	75.1	7%	0.067	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	120.4	174.1	-61.1	-172.9	0	0	0	108.6	S45 D46 F49 L89 V155 Q157	S45-I87 WeakPolarHBondContact CA-O 3.36Å; D46-I87 HydrophobicContact CB-CB 3.75Å; D46-I87 HydrophobicContact CB-CG2 4Å; D46-I87 PolarHBondContact N-O 2.85Å; F49-I87 HydrophobicContact CB-CG1 4.35Å; F49-I87 HydrophobicContact CD1-CD1 4.11Å; F49-I87 HydrophobicContact CD1-CG1 4.12Å; F49-I87 HydrophobicContact CD2-CB 4.3Å; F49-I87 HydrophobicContact CD2-CD1 3.54Å; F49-I87 HydrophobicContact CD2-CG1 3.89Å; F49-I87 HydrophobicContact CE1-CD1 3.95Å; F49-I87 HydrophobicContact CE1-CG1 4.41Å; F49-I87 HydrophobicContact CE2-CD1 3.36Å; F49-I87 HydrophobicContact CE2-CG1 4.21Å; F49-I87 HydrophobicContact CG-CB 4.4Å; F49-I87 HydrophobicContact CG-CD1 3.91Å; F49-I87 HydrophobicContact CG-CG1 3.83Å; F49-I87 HydrophobicContact CZ-CD1 3.57Å; F49-I87 HydrophobicContact CZ-CG1 4.45Å; I87-L89 HydrophobicContact CG2-CD2 3.8Å; I87-L89 HydrophobicContact CG2-CG 4.29Å; I87-V155 HydrophobicContact CG2-CG1 3.57Å; I87-Q157 HydrophobicContact CG1-CG 4.49Å
88	L	95.4	Very high	77	Confident	4 Å²	4	74.5 Å²	74.5	2%	0.021	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	122.9	175.9	-170.7	66.7	0	0	0	109	Y43 W52 V61 I156 I170	Y43-L88 HydrophobicContact CD1-CD1 4.48Å; Y43-L88 HydrophobicContact CD1-CD2 3.97Å; Y43-L88 HydrophobicContact CD1-CG 3.8Å; Y43-L88 HydrophobicContact CG-CD2 4.44Å; Y43-L88 HydrophobicContact CG-CG 4.39Å; W52-L88 HydrophobicContact CB-CD1 3.94Å; W52-L88 HydrophobicContact CD2-CB 3.98Å; W52-L88 HydrophobicContact CD2-CD2 4.32Å; W52-L88 HydrophobicContact CE3-CD2 4.44Å; W52-L88 HydrophobicContact CG-CB 3.88Å; W52-L88 HydrophobicContact CG-CD1 4.03Å; W52-L88 HydrophobicContact CG-CG 4.36Å; W52-L88 HydrophobicContact CZ2-CB 4.41Å; V61-L88 HydrophobicContact CG2-CD2 4.07Å; L88-I156 HydrophobicContact CB-CB 4.27Å; L88-I156 PolarHBondContact N-O 3.22Å; L88-I156 PolarHBondContact O-N 2.86Å; L88-I170 HydrophobicContact CD2-CD1 4.27Å
89	L	94.7	Very high	79.3	Confident	15 Å²	15	66.2 Å²	66.2	8%	0.079	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	128.4	-177.5	-57.8	175.2	0	0	0	109.8	Y43 T44 D46 I87 V155	Y43-L89 VanDerWaalsContact CA-O 3.23Å; Y43-L89 WeakPolarHBondContact CA-O 3.08Å; Y43-L89 WeakPolarHBondContact CD1-O 3.06Å; T44-L89 PolarHBondContact N-O 3.21Å; T44-L89 PolarHBondContact O-N 3.01Å; D46-L89 HydrophobicContact CB-CD1 4.36Å; I87-L89 HydrophobicContact CG2-CD2 3.8Å; I87-L89 HydrophobicContact CG2-CG 4.29Å; L89-V155 HydrophobicContact CD2-CB 4.31Å; L89-V155 HydrophobicContact CD2-CG1 3.98Å; L89-V155 HydrophobicContact CD2-CG2 3.75Å
90	S	94.8	Very high	81.6	Confident	0 Å²	0	59 Å²	59	0%	0	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-68.1	164.2	170.1	77.5	0	0	0	0	111.8	Y43 R153 I154	Y43-S90 VanDerWaalsContact CD1-CA 3.45Å; Y43-S90 VanDerWaalsContact CE1-CA 3.45Å; Y43-S90 VanDerWaalsContact CE1-CB 3.46Å; S90-R153 WeakPolarHBondContact O-CD 3.5Å; S90-R153 WeakPolarHBondContact OG-CA 3.48Å; S90-I154 WeakPolarHBondContact CB-O 3.19Å; S90-I154 PolarHBondContact N-O 2.94Å; S90-I154 PolarHBondContact OG-N 2.77Å; S90-I154 PolarHBondContact OG-O 2.92Å
91	P	91.9	Very high	83.8	Confident	36 Å²	36	54 Å²	54	23%	0.234	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-52	161.6	157.3	-23.5	34.2	0	0	0	111.6	L93	P91-L93 WeakPolarHBondContact O-CG 3.07Å; P91-L93 PolarHBondContact O-N 3.46Å
92	S	90.4	Very high	85.6	Confident	64 Å²	64	47.9 Å²	47.9	45%	0.448	23%	0.232	S	C	.	.	P	Polyproline II helix	trans	-64.9	129.3	171.5	-155.5	0	0	0	0	109.6
93	L	89.1	Confident	87.2	Confident	1 Å²	1	38 Å²	38	1%	0.005	19%	0.194	C	C	.	.	B	Isolated β-bridge	trans	-113.5	136.2	-177.6	-56.5	-173.8	0	0	0	109.4	P31 P91 P151 F152 I154 I175	P31-L93 HydrophobicContact CB-CD2 4.14Å; P31-L93 WeakPolarHBondContact O-CD2 2.93Å; P91-L93 WeakPolarHBondContact O-CG 3.07Å; P91-L93 PolarHBondContact O-N 3.46Å; L93-P151 WeakPolarHBondContact O-CA 3.24Å; L93-F152 HydrophobicContact CB-CD2 4.42Å; L93-F152 HydrophobicContact CB-CE1 4.39Å; L93-F152 HydrophobicContact CB-CE2 4.15Å; L93-F152 HydrophobicContact CB-CZ 4.13Å; L93-F152 WeakPolarHBondContact CB-O 3.43Å; L93-F152 HydrophobicContact CD1-CE2 4.02Å; L93-F152 HydrophobicContact CD1-CZ 4.49Å; L93-F152 PolarHBondContact N-O 3.32Å; L93-F152 PolarHBondContact O-N 3.08Å; L93-I154 HydrophobicContact CD1-CD1 3.68Å; L93-I154 HydrophobicContact CD1-CG1 3.8Å; L93-I175 HydrophobicContact CD1-CD1 4.4Å
94	E	83.4	Confident	88.4	Confident	151 Å²	151	33.4 Å²	33.4	71%	0.706	17%	0.174	S	C	*	.			trans	-125	106.9	172.5	-70.3	176.2	-174.9	0	0	106.1	P151	E94-P151 HydrophobicContact CG-CB 3.96Å
95	H	71.4	Confident	89	Confident	15 Å²	15	33.7 Å²	33.7	7%	0.069	17%	0.173	C	C	.	.			trans	-128.5	108.4	-179.4	-68.6	81.4	0	0	0	108.7	A148 F152	H95-A148 PolarHBondContact O-N 3.46Å; H95-A148 VanDerWaalsContact O-N 3.15Å; H95-F152 HydrophobicContact CB-CE1 4.27Å; H95-F152 HydrophobicContact CB-CZ 4.4Å; H95-F152 AromaticContact ND1-CZ 3.93Å
96	D	71	Confident	89.3	Confident	136 Å²	136	34.4 Å²	34.4	73%	0.727	18%	0.175	S	C	*	.	S	Bend	trans	-80.3	-10.9	178	-63.2	-27.5	0	0	0	112.2	N147	D96-N147 WeakPolarHBondContact O-CB 3.44Å
97	E	81.8	Confident	89.4	Confident	146 Å²	146	34.4 Å²	34.4	68%	0.682	18%	0.175	S	C	*	.	S	Bend	trans	-125.2	163.2	-176.7	-63.8	-175.2	172.3	0	0	111.5
98	W	86.6	Confident	89.4	Confident	49 Å²	49	34.8 Å²	34.8	19%	0.186	18%	0.18	C	C	.	.			trans	-63.4	145	176.9	-135.8	-77.3	0	0	0	111	H146 G178 Y179	W98-H146 AromaticContact CD2-ND1 3.83Å; W98-H146 AromaticContact CE2-ND1 3.81Å; W98-H146 AromaticContact CE3-CE1 3.91Å; W98-H146 AromaticContact CE3-ND1 3.34Å; W98-H146 VanDerWaalsContact CE3-ND1 3.34Å; W98-H146 AromaticContact CH2-CE1 3.38Å; W98-H146 WeakPolarHBondContact CH2-CE1 3.39Å; W98-H146 AromaticContact CH2-ND1 2.88Å; W98-H146 WeakPolarHBondContact CH2-ND1 3.31Å; W98-H146 HydrophobicContact CZ2-CB 4.34Å; W98-H146 AromaticContact CZ2-ND1 3.35Å; W98-H146 WeakPolarHBondContact CZ2-ND1 3.42Å; W98-H146 AromaticContact CZ3-CE1 3.17Å; W98-H146 WeakPolarHBondContact CZ3-CE1 3.38Å; W98-H146 AromaticContact CZ3-ND1 2.88Å; W98-H146 WeakPolarHBondContact CZ3-ND1 3.48Å; W98-G178 CarbonylContact C-O 3.44Å; W98-G178 PolarHBondContact O-N 3.48Å; W98-Y179 HydrophobicContact CB-CE1 4.44Å; W98-Y179 AromaticContact CD1-CD1 3.81Å; W98-Y179 AromaticContact CD1-CE1 3.93Å; W98-Y179 HydrophobicContact CD2-CD1 4.17Å; W98-Y179 AromaticContact CD2-CE1 3.51Å; W98-Y179 HydrophobicContact CD2-CE1 3.51Å; W98-Y179 AromaticContact CD2-CZ 3.99Å; W98-Y179 AromaticContact CE2-CE1 3.6Å; W98-Y179 AromaticContact CE3-CE1 3.88Å; W98-Y179 HydrophobicContact CE3-CE1 3.88Å; W98-Y179 HydrophobicContact CG-CD1 4.07Å; W98-Y179 AromaticContact CG-CE1 3.76Å; W98-Y179 HydrophobicContact CG-CE1 3.76Å; W98-Y179 HydrophobicContact CH2-CE1 4.31Å; W98-Y179 HydrophobicContact CZ2-CE1 4.06Å; W98-Y179 HydrophobicContact CZ3-CE1 4.22Å; W98-Y179 AromaticContact NE1-CD1 3.79Å; W98-Y179 AromaticContact NE1-CE1 3.86Å
99	S	89.8	Confident	89.2	Confident	3 Å²	3	40.9 Å²	40.9	2%	0.021	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	154.5	176.7	-60.8	0	0	0	0	111.3	L145 T176 G178	S99-L145 PolarHBondContact N-O 3.18Å; S99-L145 WeakPolarHBondContact O-CA 3.42Å; S99-L145 WeakPolarHBondContact O-CB 3.49Å; S99-L145 PolarHBondContact O-N 3.23Å; S99-T176 CarbonylContact C-O 3.45Å; S99-T176 WeakPolarHBondContact CA-O 3.42Å; S99-T176 VanDerWaalsContact CB-O 3.3Å; S99-T176 WeakPolarHBondContact CB-O 3.3Å; S99-G178 CarbonylContact C-O 3.47Å; S99-G178 VanDerWaalsContact CA-O 3.23Å; S99-G178 WeakPolarHBondContact CA-O 3.32Å; S99-G178 PolarHBondContact N-O 3.38Å
100	C	90.1	Very high	89	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	127	172	-177.1	0	0	0	0	110.5	I175 T176 G178 C180	C100-I175 WeakPolarHBondContact O-CA 3.27Å; C100-T176 PolarHBondContact N-O 3.43Å; C100-T176 PolarHBondContact O-N 2.9Å; C100-T176 PolarHBondContact O-OG1 2.92Å; C100-G178 PolarHBondContact N-O 3.29Å; C100-C180 WeakPolarHBondContact CA-SG 3.38Å; C100-C180 HydrophobicContact CB-CB 3.97Å; C100-C180 WeakPolarHBondContact CB-SG 3.06Å; C100-C180 WeakPolarHBondContact SG-CA 3.24Å; C100-C180 WeakPolarHBondContact SG-CB 3.47Å; C100-C180 CovalentContact SG-SG 2.04Å; C100-C180 PolarHBondContact SG-SG 2.68Å
101	V	92.4	Very high	88.8	Confident	2 Å²	2	42.9 Å²	42.9	1%	0.012	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	116.8	169.4	-176.3	0	0	0	0	108.6	L103 S142 V143 L145 I154 I173 I175	V101-L103 HydrophobicContact CB-CD1 4.37Å; V101-L103 HydrophobicContact CG1-CD1 3.61Å; V101-L103 HydrophobicContact CG1-CG 3.87Å; V101-S142 CarbonylContact O-C 3.56Å; V101-S142 WeakPolarHBondContact O-CA 3.47Å; V101-V143 HydrophobicContact CB-CB 4.38Å; V101-V143 PolarHBondContact N-O 3.34Å; V101-V143 PolarHBondContact O-N 3.38Å; V101-L145 HydrophobicContact CG2-CD1 3.2Å; V101-L145 HydrophobicContact CG2-CD2 4.27Å; V101-L145 HydrophobicContact CG2-CG 3.53Å; V101-I154 HydrophobicContact CG2-CD1 3.89Å; V101-I173 HydrophobicContact CG1-CG2 3.96Å; V101-I175 HydrophobicContact CG1-CG1 4.4Å; V101-I175 HydrophobicContact CG2-CD1 4.26Å; V101-I175 HydrophobicContact CG2-CG1 4.1Å; V101-I175 HydrophobicContact CG2-CG2 4.35Å
102	R	91.5	Very high	88.8	Confident	12 Å²	12	42.3 Å²	42.3	5%	0.045	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	120.2	170.2	-63.5	-176	177.3	104.7	15.7	108.8	A141 H174 T176 E182 E187 C191	R102-A141 CarbonylContact C-O 3.44Å; R102-A141 VanDerWaalsContact CA-O 3.28Å; R102-A141 WeakPolarHBondContact CA-O 3.36Å; R102-H174 HydrophobicContact CB-CB 4.33Å; R102-H174 PolarHBondContact N-O 3.11Å; R102-H174 PolarHBondContact O-N 2.75Å; R102-T176 PolarHBondContact NH1-OG1 2.84Å; R102-E182 PolarHBondContact NH2-O 2.81Å; R102-E187 IonicContact CZ-OE2 2.88Å; R102-E187 IonicContact NH1-OE1 3.55Å; R102-E187 IonicContact NH1-OE2 3.6Å; R102-E187 PolarHBondContact NH1-OE2 2.89Å; R102-C191 PolarHBondContact NE-O 3.5Å; R102-C191 PolarHBondContact NH2-O 3.4Å
103	L	92.7	Very high	89	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	123.7	177.9	-55.3	98.5	0	0	0	109.3	V101 M113 V115 I140 A141 V143 I156 E172 I173	V101-L103 HydrophobicContact CB-CD1 4.37Å; V101-L103 HydrophobicContact CG1-CD1 3.61Å; V101-L103 HydrophobicContact CG1-CG 3.87Å; L103-M113 HydrophobicContact CD2-CE 4.08Å; L103-V115 HydrophobicContact CD1-CG2 4.3Å; L103-V115 HydrophobicContact CD2-CG2 3.92Å; L103-I140 CarbonylContact O-C 3.49Å; L103-I140 WeakPolarHBondContact O-CA 3.48Å; L103-A141 HydrophobicContact CB-CB 4.48Å; L103-A141 HydrophobicContact CD1-CB 4.35Å; L103-A141 PolarHBondContact N-O 3.38Å; L103-A141 PolarHBondContact O-N 2.99Å; L103-V143 HydrophobicContact CD1-CG2 3.77Å; L103-I156 HydrophobicContact CD2-CD1 3.8Å; L103-E172 WeakPolarHBondContact CA-O 3.32Å; L103-I173 HydrophobicContact CD2-CG1 4.33Å
104	V	93.4	Very high	89.2	Confident	19 Å²	19	41.2 Å²	41.2	12%	0.115	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	110.2	169.5	-173.9	0	0	0	0	107.5	W138 V139 I140 F171 E172	V104-W138 HydrophobicContact CG1-CB 3.78Å; V104-W138 HydrophobicContact CG1-CD2 4.43Å; V104-W138 HydrophobicContact CG1-CE3 4.24Å; V104-W138 HydrophobicContact CG1-CG 4.29Å; V104-V139 WeakPolarHBondContact CA-O 3.16Å; V104-I140 HydrophobicContact CG2-CG1 4.27Å; V104-F171 HydrophobicContact CB-CB 4.27Å; V104-F171 HydrophobicContact CG1-CB 4.05Å; V104-F171 HydrophobicContact CG1-CD1 4.29Å; V104-F171 PolarHBondContact O-N 3.2Å; V104-E172 HydrophobicContact CB-CB 4.13Å; V104-E172 HydrophobicContact CG2-CB 4.04Å; V104-E172 PolarHBondContact N-O 3.06Å; V104-E172 PolarHBondContact O-N 3.16Å
105	Y	94.8	Very high	89.7	Confident	17 Å²	17	34.1 Å²	34.1	7%	0.067	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	165.4	-170.5	78.9	-82.5	0	0	0	112.3	I107 M113 W129 S131 V139 A141 S169	Y105-I107 HydrophobicContact CD2-CD1 4.49Å; Y105-I107 HydrophobicContact CD2-CG1 4.11Å; Y105-I107 HydrophobicContact CE2-CD1 3.97Å; Y105-I107 HydrophobicContact CE2-CG1 3.99Å; Y105-M113 HydrophobicContact CD2-SD 3.64Å; Y105-M113 HydrophobicContact CE2-SD 4.45Å; Y105-M113 HydrophobicContact CG-SD 3.72Å; Y105-W129 HydrophobicContact CD1-CH2 4.19Å; Y105-W129 AromaticContact CE1-CH2 3.51Å; Y105-W129 HydrophobicContact CE1-CH2 3.51Å; Y105-W129 AromaticContact CE1-CZ2 3.83Å; Y105-W129 HydrophobicContact CE1-CZ2 3.83Å; Y105-W129 AromaticContact CE2-CH2 3.94Å; Y105-W129 HydrophobicContact CE2-CH2 3.94Å; Y105-W129 AromaticContact CZ-CH2 3.38Å; Y105-W129 AromaticContact CZ-CZ2 3.81Å; Y105-S131 WeakPolarHBondContact OH-CB 3.31Å; Y105-S131 PolarHBondContact OH-OG 3.36Å; Y105-V139 HydrophobicContact CD1-CG2 3.97Å; Y105-V139 WeakPolarHBondContact CD1-O 3.48Å; Y105-V139 HydrophobicContact CD2-CG2 4.05Å; Y105-V139 HydrophobicContact CE1-CB 4.33Å; Y105-V139 HydrophobicContact CE1-CG2 3.54Å; Y105-V139 HydrophobicContact CE2-CG2 3.62Å; Y105-V139 HydrophobicContact CG-CG2 4.2Å; Y105-V139 PolarHBondContact N-O 3.01Å; Y105-V139 VanDerWaalsContact O-CG2 3.23Å; Y105-V139 WeakPolarHBondContact O-CG2 3.42Å; Y105-V139 PolarHBondContact O-N 2.97Å; Y105-A141 HydrophobicContact CD1-CB 4.12Å; Y105-A141 HydrophobicContact CE1-CB 3.76Å; Y105-S169 CarbonylContact C-O 3.55Å; Y105-S169 VanDerWaalsContact CA-O 3.24Å; Y105-S169 WeakPolarHBondContact CA-O 3.14Å; Y105-S169 WeakPolarHBondContact CB-O 3.31Å
106	Q	95.2	Very high	90.7	Very high	39 Å²	39	34.1 Å²	34.1	18%	0.182	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	138.7	174.1	-172.3	176.5	31.8	0	0	110	S135 D136 W138 S169	Q106-S135 VanDerWaalsContact CG-O 3.29Å; Q106-S135 WeakPolarHBondContact CG-O 3.45Å; Q106-S135 PolarHBondContact NE2-O 3.48Å; Q106-D136 VanDerWaalsContact NE2-C 3.31Å; Q106-D136 PolarHBondContact NE2-O 3.48Å; Q106-W138 HydrophobicContact CB-CD2 4.39Å; Q106-W138 HydrophobicContact CB-CE3 3.77Å; Q106-W138 HydrophobicContact CB-CH2 4.45Å; Q106-W138 HydrophobicContact CB-CZ3 3.8Å; Q106-S169 PolarHBondContact N-O 2.86Å; Q106-S169 PolarHBondContact O-N 2.04Å
107	I	94.7	Very high	91.6	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	110.6	168.2	-60.3	173.8	0	0	0	106.6	Y105 M113 S131 P134 S135 V168	Y105-I107 HydrophobicContact CD2-CD1 4.49Å; Y105-I107 HydrophobicContact CD2-CG1 4.11Å; Y105-I107 HydrophobicContact CE2-CD1 3.97Å; Y105-I107 HydrophobicContact CE2-CG1 3.99Å; I107-M113 HydrophobicContact CD1-CB 4.13Å; I107-S131 WeakPolarHBondContact CD1-O 3.45Å; I107-P134 CarbonylContact O-C 3.56Å; I107-P134 VanDerWaalsContact O-CA 3.23Å; I107-P134 WeakPolarHBondContact O-CA 3.36Å; I107-S135 PolarHBondContact O-N 3.12Å; I107-V168 HydrophobicContact CG1-CG2 4.44Å
108	A	92.6	Very high	91.9	Very high	22 Å²	22	25 Å²	25	18%	0.182	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	136.1	178.4	0	0	0	0	0	110.6	S110 S167	A108-S110 VanDerWaalsContact C-N 3.31Å; A108-S110 PolarHBondContact O-N 2.85Å; A108-S167 WeakPolarHBondContact CB-OG 3.45Å; A108-S167 PolarHBondContact N-O 2.67Å
109	E	90.4	Very high	91.9	Very high	131 Å²	131	23 Å²	23	61%	0.612	12%	0.118	S	C	*	.	S	Bend	trans	57.6	-78.5	-179.8	-63.8	-65.2	153.4	0	0	114.5	P134	E109-P134 WeakPolarHBondContact O-CG 3.21Å
110	S	90.4	Very high	91.5	Very high	41 Å²	41	28.4 Å²	28.4	29%	0.287	14%	0.143	S	C	.	.	S	Bend	trans	-146.3	141.2	175.9	67.4	0	0	0	0	111.5	A108 G161 S163 S166	A108-S110 VanDerWaalsContact C-N 3.31Å; A108-S110 PolarHBondContact O-N 2.85Å; S110-G161 WeakPolarHBondContact O-CA 3.43Å; S110-G161 PolarHBondContact O-N 3.09Å; S110-S163 PolarHBondContact OG-OG 2.88Å; S110-S166 WeakPolarHBondContact O-CB 3.33Å
111	G	90.7	Very high	90.9	Very high	16 Å²	16	29.9 Å²	29.9	17%	0.165	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177.8	178.3	178.3	0	0	0	0	0	111.9	R159	G111-R159 CarbonylContact C-O 3.55Å; G111-R159 WeakPolarHBondContact CA-O 3.48Å
112	H	93.3	Very high	90.3	Very high	25 Å²	25	35.2 Å²	35.2	12%	0.116	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	124.9	176.4	178.3	-141.5	0	0	0	108.8	S131 R132 R159	H112-S131 PolarHBondContact CD2-O 2.6Å; H112-R132 HydrophobicContact CB-CG 4.17Å; H112-R132 VanDerWaalsContact CD2-CG 3.41Å; H112-R132 WeakPolarHBondContact CD2-CG 3.25Å; H112-R159 HydrophobicContact CB-CB 4.3Å; H112-R159 PolarHBondContact N-O 2.94Å; H112-R159 PolarHBondContact O-N 2.95Å
113	M	94.4	Very high	89.8	Confident	0 Å²	0	35 Å²	35	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	133.2	172.6	-170.8	-178.9	177.2	0	0	109	L103 Y105 I107 V115 W129 S130 S131 I156 Q157 V168 I170	L103-M113 HydrophobicContact CD2-CE 4.08Å; Y105-M113 HydrophobicContact CD2-SD 3.64Å; Y105-M113 HydrophobicContact CE2-SD 4.45Å; Y105-M113 HydrophobicContact CG-SD 3.72Å; I107-M113 HydrophobicContact CD1-CB 4.13Å; M113-V115 HydrophobicContact CE-CG2 4.49Å; M113-W129 HydrophobicContact CB-CZ3 4.41Å; M113-W129 HydrophobicContact CG-CZ3 4.26Å; M113-W129 HydrophobicContact SD-CZ3 4.23Å; M113-S130 CarbonylContact O-C 3.6Å; M113-S130 VanDerWaalsContact O-CA 3.22Å; M113-S130 WeakPolarHBondContact O-CA 3.35Å; M113-S131 PolarHBondContact N-O 3.45Å; M113-S131 PolarHBondContact O-N 2.89Å; M113-I156 HydrophobicContact CE-CG2 3.47Å; M113-I156 VanDerWaalsContact CE-CG2 3.47Å; M113-I156 HydrophobicContact CG-CG2 4.32Å; M113-Q157 WeakPolarHBondContact CA-O 3.48Å; M113-V168 HydrophobicContact CB-CG1 3.86Å; M113-V168 HydrophobicContact CG-CG1 3.94Å; M113-V168 HydrophobicContact SD-CG1 4.08Å; M113-I170 HydrophobicContact CE-CD1 3.63Å; M113-I170 HydrophobicContact CE-CG1 3.64Å
114	E	93.8	Very high	89.3	Confident	41 Å²	41	37.5 Å²	37.5	19%	0.192	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	133.8	177.6	-170.9	171.1	-144.1	0	0	109.5	L116 W129 I156 Q157	E114-L116 HydrophobicContact CB-CD1 4.3Å; E114-L116 HydrophobicContact CG-CD1 3.94Å; E114-L116 HydrophobicContact CG-CD2 4.39Å; E114-L116 HydrophobicContact CG-CG 3.97Å; E114-W129 CarbonylContact C-O 3.52Å; E114-W129 WeakPolarHBondContact CA-O 3.37Å; E114-I156 WeakPolarHBondContact O-CA 3.49Å; E114-Q157 HydrophobicContact CB-CB 4.43Å; E114-Q157 PolarHBondContact N-O 2.86Å; E114-Q157 PolarHBondContact O-N 3.02Å
115	V	93.4	Very high	89	Confident	2 Å²	2	38.2 Å²	38.2	1%	0.012	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	122.5	174.9	-179.9	0	0	0	0	107.1	L103 M113 L128 W129 I154 I156	L103-V115 HydrophobicContact CD1-CG2 4.3Å; L103-V115 HydrophobicContact CD2-CG2 3.92Å; M113-V115 HydrophobicContact CE-CG2 4.49Å; V115-L128 HydrophobicContact CG1-CD1 4.36Å; V115-L128 WeakPolarHBondContact O-CB 3.34Å; V115-L128 PolarHBondContact O-N 2.83Å; V115-W129 HydrophobicContact CB-CB 4.45Å; V115-W129 HydrophobicContact CB-CE3 4.46Å; V115-W129 HydrophobicContact CG2-CE3 3.87Å; V115-W129 HydrophobicContact CG2-CZ3 4.41Å; V115-W129 PolarHBondContact N-O 3.13Å; V115-W129 PolarHBondContact O-N 2.92Å; V115-W129 VanDerWaalsContact O-N 3.17Å; V115-I154 HydrophobicContact CG1-CG2 3.77Å; V115-I156 HydrophobicContact CG2-CG1 4.47Å
116	L	91.7	Very high	88.5	Confident	16 Å²	16	39.5 Å²	39.5	8%	0.084	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	158	-178.8	-45.6	97.2	0	0	0	110.9	E114 D125 T126 V155 Q157	E114-L116 HydrophobicContact CB-CD1 4.3Å; E114-L116 HydrophobicContact CG-CD1 3.94Å; E114-L116 HydrophobicContact CG-CD2 4.39Å; E114-L116 HydrophobicContact CG-CG 3.97Å; L116-D125 HydrophobicContact CB-CB 3.88Å; L116-D125 HydrophobicContact CD2-CB 3.95Å; L116-T126 CarbonylContact C-O 3.59Å; L116-T126 WeakPolarHBondContact CA-O 3.23Å; L116-T126 WeakPolarHBondContact CB-O 3.44Å; L116-V155 HydrophobicContact CB-CB 4.22Å; L116-V155 HydrophobicContact CD1-CB 4.45Å; L116-V155 HydrophobicContact CD1-CG1 4.23Å; L116-V155 PolarHBondContact N-O 3.16Å; L116-V155 PolarHBondContact O-N 2.79Å; L116-Q157 HydrophobicContact CD1-CB 4.01Å
117	R	89.7	Confident	88	Confident	48 Å²	48	40.2 Å²	40.2	18%	0.181	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	123.2	170.8	-173.4	178.2	66.3	179.8	-1.9	109.9	D125 T126 L128 F152	R117-D125 CarbonylContact O-C 3.43Å; R117-D125 WeakPolarHBondContact O-CA 3.49Å; R117-T126 PolarHBondContact N-O 2.9Å; R117-T126 PolarHBondContact O-N 2.95Å; R117-L128 HydrophobicContact CB-CD1 3.93Å; R117-L128 HydrophobicContact CB-CD2 4.13Å; R117-L128 HydrophobicContact CB-CG 4.07Å; R117-F152 HydrophobicContact CG-CB 4.12Å; R117-F152 HydrophobicContact CG-CD2 3.8Å; R117-F152 HydrophobicContact CG-CG 4.14Å
118	R	89.4	Confident	87.7	Confident	41 Å²	41	41.6 Å²	41.6	16%	0.155	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	102.5	171.6	-180	172.7	-65.1	171.9	5.7	109.8	D46 D125 F152 R153 V155	D46-R118 IonicContact OD2-NH1 3.64Å; R118-D125 WeakPolarHBondContact CB-OD1 3.34Å; R118-D125 WeakPolarHBondContact CG-OD1 3.44Å; R118-D125 IonicContact CZ-OD1 2.54Å; R118-D125 IonicContact CZ-OD2 3.81Å; R118-D125 IonicContact NE-OD1 3.77Å; R118-D125 PolarHBondContact NE-OD1 2.91Å; R118-D125 IonicContact NE-OD2 3.99Å; R118-D125 PolarHBondContact NE-OD2 3.32Å; R118-D125 IonicContact NH2-OD1 2.98Å; R118-D125 IonicContact NH2-OD2 3.86Å; R118-D125 PolarHBondContact NH2-OD2 3.1Å; R118-F152 CarbonylContact O-C 3.53Å; R118-F152 WeakPolarHBondContact O-CA 3.23Å; R118-F152 WeakPolarHBondContact O-CB 3.49Å; R118-R153 HydrophobicContact CB-CB 4.46Å; R118-R153 PolarHBondContact N-O 2.93Å; R118-R153 PolarHBondContact O-N 2.99Å; R118-V155 HydrophobicContact CB-CG2 3.52Å
119	S	86.6	Confident	87.6	Confident	7 Å²	7	42.9 Å²	42.9	5%	0.049	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	141.8	172.9	-58.8	0	0	0	0	110.8	R122 R593	S119-R122 PolarHBondContact O-N 3.37Å; S119-R593 PolarHBondContact O-NH2 2.82Å
120	E	81.1	Confident	87.6	Confident	117 Å²	117	39.8 Å²	39.8	55%	0.547	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	146.1	170.3	-164.4	164.1	-176.7	0	0	110.3	R122 P151	E120-R122 VanDerWaalsContact C-N 3.25Å; E120-R122 PolarHBondContact O-N 2.7Å; E120-R122 VanDerWaalsContact O-N 3.12Å; E120-P151 HydrophobicContact CB-CG 4.15Å; E120-P151 PolarHBondContact N-O 3.5Å; E120-P151 VanDerWaalsContact OE2-CG 3.23Å; E120-P151 WeakPolarHBondContact OE2-CG 3.47Å
121	G	75.9	Confident	87.7	Confident	32 Å²	32	38.6 Å²	38.6	33%	0.33	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.9	-13.4	-178.5	0	0	0	0	0	117.4	T595	G121-T595 WeakPolarHBondContact O-CB 3.34Å; G121-T595 WeakPolarHBondContact O-CG2 3.12Å
122	R	81.2	Confident	87.8	Confident	113 Å²	113	46.2 Å²	46.2	43%	0.426	23%	0.226	S	C	.	.			trans	-98.6	139.9	179.2	-63.6	-163.5	178.5	-142.9	-1.6	114.5	S119 E120 F124 R593 T595	S119-R122 PolarHBondContact O-N 3.37Å; E120-R122 VanDerWaalsContact C-N 3.25Å; E120-R122 PolarHBondContact O-N 2.7Å; E120-R122 VanDerWaalsContact O-N 3.12Å; R122-F124 PolarHBondContact O-N 3.45Å; R122-R593 PolarHBondContact O-NE 2.76Å; R122-R593 PolarHBondContact O-NH2 2.8Å; R122-T595 VanDerWaalsContact C-CG2 3.46Å
123	S	81.1	Confident	87.7	Confident	7 Å²	7	49.8 Å²	49.8	5%	0.049	25%	0.25	C	S	.	.	S	Bend	trans	-80.4	-16.6	-173.8	-42.4	0	0	0	0	114.4	R593 Q599	S123-R593 WeakPolarHBondContact O-CB 3.23Å; S123-R593 PolarHBondContact O-N 2.87Å; S123-Q599 VanDerWaalsContact OG-CD 3.24Å; S123-Q599 PolarHBondContact OG-NE2 2.83Å
124	F	82	Confident	87.6	Confident	54 Å²	54	53 Å²	53	24%	0.237	27%	0.271	C	S	.	.	S	Bend	trans	-123.7	145.7	-178.7	-60.1	-78.4	0	0	0	112.1	R122 P523 G524 V592 L675	R122-F124 PolarHBondContact O-N 3.45Å; F124-P523 HydrophobicContact CB-CB 3.74Å; F124-P523 HydrophobicContact CG-CB 4.24Å; F124-G524 VanDerWaalsContact CE2-CA 3.45Å; F124-V592 HydrophobicContact CZ-CG2 4.37Å; F124-L675 HydrophobicContact CE2-CB 3.63Å; F124-L675 HydrophobicContact CE2-CD2 3.49Å; F124-L675 VanDerWaalsContact CE2-CD2 3.49Å; F124-L675 HydrophobicContact CE2-CG 3.59Å; F124-L675 VanDerWaalsContact CE2-O 3.31Å; F124-L675 WeakPolarHBondContact CE2-O 3.07Å; F124-L675 HydrophobicContact CZ-CB 3.89Å; F124-L675 HydrophobicContact CZ-CD2 3.39Å; F124-L675 HydrophobicContact CZ-CG 3.95Å
125	D	85.8	Confident	87.5	Confident	34 Å²	34	52.5 Å²	52.5	18%	0.182	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-82	135.9	170.4	-61.1	-19.7	0	0	0	109	L116 R117 R118 P523	L116-D125 HydrophobicContact CB-CB 3.88Å; L116-D125 HydrophobicContact CD2-CB 3.95Å; R117-D125 CarbonylContact O-C 3.43Å; R117-D125 WeakPolarHBondContact O-CA 3.49Å; R118-D125 WeakPolarHBondContact CB-OD1 3.34Å; R118-D125 WeakPolarHBondContact CG-OD1 3.44Å; R118-D125 IonicContact CZ-OD1 2.54Å; R118-D125 IonicContact CZ-OD2 3.81Å; R118-D125 IonicContact NE-OD1 3.77Å; R118-D125 PolarHBondContact NE-OD1 2.91Å; R118-D125 IonicContact NE-OD2 3.99Å; R118-D125 PolarHBondContact NE-OD2 3.32Å; R118-D125 IonicContact NH2-OD1 2.98Å; R118-D125 IonicContact NH2-OD2 3.86Å; R118-D125 PolarHBondContact NH2-OD2 3.1Å; D125-P523 WeakPolarHBondContact O-CG 3.4Å
126	T	84.4	Confident	87.2	Confident	43 Å²	43	59.9 Å²	59.9	26%	0.264	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	121.8	-179.8	-51.8	0	0	0	0	109.8	L116 R117 L128	L116-T126 CarbonylContact C-O 3.59Å; L116-T126 WeakPolarHBondContact CA-O 3.23Å; L116-T126 WeakPolarHBondContact CB-O 3.44Å; R117-T126 PolarHBondContact N-O 2.9Å; R117-T126 PolarHBondContact O-N 2.95Å; T126-L128 PolarHBondContact O-N 2.91Å
127	P	85.4	Confident	87.2	Confident	54 Å²	54	62.9 Å²	62.9	35%	0.351	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	131.7	177.3	28.5	-34.3	0	0	0	109.8	P523	P127-P523 HydrophobicContact CG-CG 4.18Å
128	L	87.9	Confident	87.2	Confident	30 Å²	30	65.3 Å²	65.3	16%	0.157	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	-39.6	176.6	-60.7	176.5	0	0	0	111.2	V115 R117 T126 V143 L145	V115-L128 HydrophobicContact CG1-CD1 4.36Å; V115-L128 WeakPolarHBondContact O-CB 3.34Å; V115-L128 PolarHBondContact O-N 2.83Å; R117-L128 HydrophobicContact CB-CD1 3.93Å; R117-L128 HydrophobicContact CB-CD2 4.13Å; R117-L128 HydrophobicContact CB-CG 4.07Å; T126-L128 PolarHBondContact O-N 2.91Å; L128-V143 HydrophobicContact CB-CG1 3.6Å; L128-V143 HydrophobicContact CD1-CG1 4.25Å; L128-L145 HydrophobicContact CD1-CD2 3.43Å; L128-L145 VanDerWaalsContact CD1-CD2 3.43Å
129	W	90.5	Very high	87.3	Confident	49 Å²	49	65.5 Å²	65.5	19%	0.186	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.3	152.3	-176.7	177.2	95.9	0	0	0	111	Y105 M113 E114 V115 S131 A141 V143	Y105-W129 HydrophobicContact CD1-CH2 4.19Å; Y105-W129 AromaticContact CE1-CH2 3.51Å; Y105-W129 HydrophobicContact CE1-CH2 3.51Å; Y105-W129 AromaticContact CE1-CZ2 3.83Å; Y105-W129 HydrophobicContact CE1-CZ2 3.83Å; Y105-W129 AromaticContact CE2-CH2 3.94Å; Y105-W129 HydrophobicContact CE2-CH2 3.94Å; Y105-W129 AromaticContact CZ-CH2 3.38Å; Y105-W129 AromaticContact CZ-CZ2 3.81Å; M113-W129 HydrophobicContact CB-CZ3 4.41Å; M113-W129 HydrophobicContact CG-CZ3 4.26Å; M113-W129 HydrophobicContact SD-CZ3 4.23Å; E114-W129 CarbonylContact C-O 3.52Å; E114-W129 WeakPolarHBondContact CA-O 3.37Å; V115-W129 HydrophobicContact CB-CB 4.45Å; V115-W129 HydrophobicContact CB-CE3 4.46Å; V115-W129 HydrophobicContact CG2-CE3 3.87Å; V115-W129 HydrophobicContact CG2-CZ3 4.41Å; V115-W129 PolarHBondContact N-O 3.13Å; V115-W129 PolarHBondContact O-N 2.92Å; V115-W129 VanDerWaalsContact O-N 3.17Å; W129-S131 VanDerWaalsContact CZ2-CB 3.46Å; W129-A141 HydrophobicContact CD2-CB 4.08Å; W129-A141 HydrophobicContact CE3-CB 4.45Å; W129-A141 HydrophobicContact CH2-CB 3.87Å; W129-A141 HydrophobicContact CZ2-CB 3.45Å; W129-A141 VanDerWaalsContact CZ2-CB 3.45Å; W129-A141 HydrophobicContact CZ3-CB 4.36Å; W129-V143 HydrophobicContact CB-CB 4.45Å; W129-V143 HydrophobicContact CB-CG1 4.07Å; W129-V143 HydrophobicContact CB-CG2 3.53Å; W129-V143 HydrophobicContact CD2-CG2 4.38Å; W129-V143 HydrophobicContact CG-CG2 3.77Å
130	S	91.4	Very high	87.5	Confident	65 Å²	65	68.3 Å²	68.3	46%	0.455	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	151.3	174.3	67.3	0	0	0	0	111.8	M113	M113-S130 CarbonylContact O-C 3.6Å; M113-S130 VanDerWaalsContact O-CA 3.22Å; M113-S130 WeakPolarHBondContact O-CA 3.35Å
131	S	91.7	Very high	88	Confident	17 Å²	17	63 Å²	63	12%	0.119	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	146.2	169.5	-173.4	0	0	0	0	112.3	Y105 I107 H112 M113 W129 T133	Y105-S131 WeakPolarHBondContact OH-CB 3.31Å; Y105-S131 PolarHBondContact OH-OG 3.36Å; I107-S131 WeakPolarHBondContact CD1-O 3.45Å; H112-S131 PolarHBondContact CD2-O 2.6Å; M113-S131 PolarHBondContact N-O 3.45Å; M113-S131 PolarHBondContact O-N 2.89Å; W129-S131 VanDerWaalsContact CZ2-CB 3.46Å; S131-T133 PolarHBondContact OG-N 3.43Å
132	R	93	Very high	88.8	Confident	176 Å²	176	61.9 Å²	61.9	66%	0.664	33%	0.325	S	S	*	.			trans	-122.5	2.3	173.8	-62.1	-178.2	-174.5	-153.5	2.9	112.2	H112 P134	H112-R132 HydrophobicContact CB-CG 4.17Å; H112-R132 VanDerWaalsContact CD2-CG 3.41Å; H112-R132 WeakPolarHBondContact CD2-CG 3.25Å; R132-P134 VanDerWaalsContact O-CD 3.24Å; R132-P134 WeakPolarHBondContact O-CD 3.14Å
133	T	91.6	Very high	89.3	Confident	100 Å²	100	56.5 Å²	56.5	61%	0.613	31%	0.305	S	S	*	.			trans	-81.9	115.8	-172.9	-56.3	0	0	0	0	108.8	S131	S131-T133 PolarHBondContact OG-N 3.43Å
134	P	92.1	Very high	89.7	Confident	68 Å²	68	56.2 Å²	56.2	44%	0.442	30%	0.303	S	S	.	.			trans	-66.5	153.3	176	-17.4	32.7	0	0	0	111.1	I107 E109 R132	I107-P134 CarbonylContact O-C 3.56Å; I107-P134 VanDerWaalsContact O-CA 3.23Å; I107-P134 WeakPolarHBondContact O-CA 3.36Å; E109-P134 WeakPolarHBondContact O-CG 3.21Å; R132-P134 VanDerWaalsContact O-CD 3.24Å; R132-P134 WeakPolarHBondContact O-CD 3.14Å
135	S	91.1	Very high	89.9	Confident	29 Å²	29	53.9 Å²	53.9	20%	0.203	29%	0.293	C	S	.	.			trans	-150.7	134.2	176.8	179.1	0	0	0	0	111.3	Q106 I107 S137	Q106-S135 VanDerWaalsContact CG-O 3.29Å; Q106-S135 WeakPolarHBondContact CG-O 3.45Å; Q106-S135 PolarHBondContact NE2-O 3.48Å; I107-S135 PolarHBondContact O-N 3.12Å; S135-S137 WeakPolarHBondContact CB-O 3.47Å; S135-S137 PolarHBondContact O-N 2.76Å; S135-S137 PolarHBondContact OG-N 3.03Å; S135-S137 VanDerWaalsContact OG-N 3.16Å; S135-S137 PolarHBondContact OG-O 2.83Å
136	D	87.8	Confident	89.8	Confident	157 Å²	157	55.5 Å²	55.5	84%	0.84	30%	0.299	S	S	*	.	S	Bend	trans	-77.4	-5.8	173.7	-60.5	-24.5	0	0	0	112.4	Q106	Q106-D136 VanDerWaalsContact NE2-C 3.31Å; Q106-D136 PolarHBondContact NE2-O 3.48Å
137	S	90.8	Very high	89.6	Confident	80 Å²	80	56.8 Å²	56.8	56%	0.559	31%	0.305	S	S	*	.	S	Bend	trans	-127.1	158.7	178.4	-61.5	0	0	0	0	111.4	S135 V139	S135-S137 WeakPolarHBondContact CB-O 3.47Å; S135-S137 PolarHBondContact O-N 2.76Å; S135-S137 PolarHBondContact OG-N 3.03Å; S135-S137 VanDerWaalsContact OG-N 3.16Å; S135-S137 PolarHBondContact OG-O 2.83Å; S137-V139 PolarHBondContact O-N 3.19Å
138	W	90.9	Very high	89.1	Confident	99 Å²	99	54.9 Å²	54.9	38%	0.375	29%	0.293	S	S	.	.			trans	-61.4	129.1	169.9	-63.3	105.3	0	0	0	110.5	F60 V104 Q106 F171	F60-W138 HydrophobicContact CB-CH2 3.91Å; F60-W138 HydrophobicContact CB-CZ2 4.47Å; F60-W138 HydrophobicContact CD1-CH2 4.3Å; F60-W138 HydrophobicContact CD1-CZ2 4.24Å; F60-W138 HydrophobicContact CD2-CH2 4.49Å; F60-W138 HydrophobicContact CG-CH2 4.01Å; F60-W138 HydrophobicContact CG-CZ2 4.41Å; V104-W138 HydrophobicContact CG1-CB 3.78Å; V104-W138 HydrophobicContact CG1-CD2 4.43Å; V104-W138 HydrophobicContact CG1-CE3 4.24Å; V104-W138 HydrophobicContact CG1-CG 4.29Å; Q106-W138 HydrophobicContact CB-CD2 4.39Å; Q106-W138 HydrophobicContact CB-CE3 3.77Å; Q106-W138 HydrophobicContact CB-CH2 4.45Å; Q106-W138 HydrophobicContact CB-CZ3 3.8Å; W138-F171 HydrophobicContact CD2-CB 3.99Å; W138-F171 HydrophobicContact CE3-CB 3.64Å; W138-F171 HydrophobicContact CH2-CB 3.75Å; W138-F171 HydrophobicContact CH2-CD2 4.48Å; W138-F171 HydrophobicContact CZ2-CB 4.06Å; W138-F171 HydrophobicContact CZ2-CD2 4.14Å; W138-F171 HydrophobicContact CZ2-CG 4.46Å; W138-F171 HydrophobicContact CZ3-CB 3.53Å
139	V	91.4	Very high	88.7	Confident	44 Å²	44	60.1 Å²	60.1	27%	0.267	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	155.6	178.9	-73.3	0	0	0	0	109.7	V104 Y105 S137	V104-V139 WeakPolarHBondContact CA-O 3.16Å; Y105-V139 HydrophobicContact CD1-CG2 3.97Å; Y105-V139 WeakPolarHBondContact CD1-O 3.48Å; Y105-V139 HydrophobicContact CD2-CG2 4.05Å; Y105-V139 HydrophobicContact CE1-CB 4.33Å; Y105-V139 HydrophobicContact CE1-CG2 3.54Å; Y105-V139 HydrophobicContact CE2-CG2 3.62Å; Y105-V139 HydrophobicContact CG-CG2 4.2Å; Y105-V139 PolarHBondContact N-O 3.01Å; Y105-V139 VanDerWaalsContact O-CG2 3.23Å; Y105-V139 WeakPolarHBondContact O-CG2 3.42Å; Y105-V139 PolarHBondContact O-N 2.97Å; S137-V139 PolarHBondContact O-N 3.19Å
140	I	90.8	Very high	88.3	Confident	67 Å²	67	62.3 Å²	62.3	34%	0.344	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	127.7	-175.2	-54.4	-177.5	0	0	0	109.1	L103 V104 H189	L103-I140 CarbonylContact O-C 3.49Å; L103-I140 WeakPolarHBondContact O-CA 3.48Å; V104-I140 HydrophobicContact CG2-CG1 4.27Å; I140-H189 HydrophobicContact CD1-CB 3.35Å
141	A	91.8	Very high	88.1	Confident	4 Å²	4	60.7 Å²	60.7	3%	0.033	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	139.1	165.2	0	0	0	0	0	109.2	R102 L103 Y105 W129	R102-A141 CarbonylContact C-O 3.44Å; R102-A141 VanDerWaalsContact CA-O 3.28Å; R102-A141 WeakPolarHBondContact CA-O 3.36Å; L103-A141 HydrophobicContact CB-CB 4.48Å; L103-A141 HydrophobicContact CD1-CB 4.35Å; L103-A141 PolarHBondContact N-O 3.38Å; L103-A141 PolarHBondContact O-N 2.99Å; Y105-A141 HydrophobicContact CD1-CB 4.12Å; Y105-A141 HydrophobicContact CE1-CB 3.76Å; W129-A141 HydrophobicContact CD2-CB 4.08Å; W129-A141 HydrophobicContact CE3-CB 4.45Å; W129-A141 HydrophobicContact CH2-CB 3.87Å; W129-A141 HydrophobicContact CZ2-CB 3.45Å; W129-A141 VanDerWaalsContact CZ2-CB 3.45Å; W129-A141 HydrophobicContact CZ3-CB 4.36Å
142	S	92.3	Very high	88	Confident	9 Å²	9	60 Å²	60	6%	0.063	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	128.9	169.1	-43.1	0	0	0	0	108.2	V101 P250	V101-S142 CarbonylContact O-C 3.56Å; V101-S142 WeakPolarHBondContact O-CA 3.47Å; S142-P250 WeakPolarHBondContact OG-CG 3.34Å
143	V	91.8	Very high	88	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	116	-172.8	-174	0	0	0	0	108.5	V101 L103 L128 W129 L145 C180 T253	V101-V143 HydrophobicContact CB-CB 4.38Å; V101-V143 PolarHBondContact N-O 3.34Å; V101-V143 PolarHBondContact O-N 3.38Å; L103-V143 HydrophobicContact CD1-CG2 3.77Å; L128-V143 HydrophobicContact CB-CG1 3.6Å; L128-V143 HydrophobicContact CD1-CG1 4.25Å; W129-V143 HydrophobicContact CB-CB 4.45Å; W129-V143 HydrophobicContact CB-CG1 4.07Å; W129-V143 HydrophobicContact CB-CG2 3.53Å; W129-V143 HydrophobicContact CD2-CG2 4.38Å; W129-V143 HydrophobicContact CG-CG2 3.77Å; V143-L145 PolarHBondContact O-N 2.71Å; V143-C180 PolarHBondContact O-SG 3.4Å; V143-T253 HydrophobicContact CG1-CG2 4.41Å
144	D	88.9	Confident	88.1	Confident	2 Å²	2	51.6 Å²	51.6	1%	0.011	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	128.2	175.8	-60.3	-74.5	0	0	0	110.1	C180 T253	D144-C180 VanDerWaalsContact OD1-CB 3.3Å; D144-C180 WeakPolarHBondContact OD1-CB 3.46Å; D144-C180 PolarHBondContact OD1-N 3.44Å; D144-T253 WeakPolarHBondContact CB-OG1 3.35Å; D144-T253 PolarHBondContact N-OG1 2.76Å; D144-T253 VanDerWaalsContact N-OG1 3.09Å; D144-T253 PolarHBondContact OD2-N 3.22Å; D144-T253 VanDerWaalsContact OD2-N 3.08Å; D144-T253 PolarHBondContact OD2-OG1 3.49Å
145	L	87.4	Confident	88.2	Confident	4 Å²	4	48.4 Å²	48.4	2%	0.021	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	111.3	170	-67.7	-176.1	0	0	0	109.6	S99 V101 L128 V143 F152 I154	S99-L145 PolarHBondContact N-O 3.18Å; S99-L145 WeakPolarHBondContact O-CA 3.42Å; S99-L145 WeakPolarHBondContact O-CB 3.49Å; S99-L145 PolarHBondContact O-N 3.23Å; V101-L145 HydrophobicContact CG2-CD1 3.2Å; V101-L145 HydrophobicContact CG2-CD2 4.27Å; V101-L145 HydrophobicContact CG2-CG 3.53Å; L128-L145 HydrophobicContact CD1-CD2 3.43Å; L128-L145 VanDerWaalsContact CD1-CD2 3.43Å; V143-L145 PolarHBondContact O-N 2.71Å; L145-F152 HydrophobicContact CD1-CE2 4.3Å; L145-F152 HydrophobicContact CD1-CZ 4.41Å; L145-I154 HydrophobicContact CD1-CD1 4.05Å
146	H	81.8	Confident	88.4	Confident	68 Å²	68	47 Å²	47	32%	0.315	25%	0.249	S	C	.	.			trans	-66.6	154.4	172.7	-167.7	55.5	0	0	0	111.9	W98 M254	W98-H146 AromaticContact CD2-ND1 3.83Å; W98-H146 AromaticContact CE2-ND1 3.81Å; W98-H146 AromaticContact CE3-CE1 3.91Å; W98-H146 AromaticContact CE3-ND1 3.34Å; W98-H146 VanDerWaalsContact CE3-ND1 3.34Å; W98-H146 AromaticContact CH2-CE1 3.38Å; W98-H146 WeakPolarHBondContact CH2-CE1 3.39Å; W98-H146 AromaticContact CH2-ND1 2.88Å; W98-H146 WeakPolarHBondContact CH2-ND1 3.31Å; W98-H146 HydrophobicContact CZ2-CB 4.34Å; W98-H146 AromaticContact CZ2-ND1 3.35Å; W98-H146 WeakPolarHBondContact CZ2-ND1 3.42Å; W98-H146 AromaticContact CZ3-CE1 3.17Å; W98-H146 WeakPolarHBondContact CZ3-CE1 3.38Å; W98-H146 AromaticContact CZ3-ND1 2.88Å; W98-H146 WeakPolarHBondContact CZ3-ND1 3.48Å; H146-M254 HydrophobicContact CB-SD 4.04Å
147	N	80.8	Confident	88.8	Confident	71 Å²	71	40.8 Å²	40.8	38%	0.38	21%	0.214	S	C	.	.			trans	-58.4	141.5	172.6	65.2	-33.8	0	0	0	110.7	D96	D96-N147 WeakPolarHBondContact O-CB 3.44Å
148	A	75.2	Confident	88.9	Confident	14 Å²	14	37 Å²	37	12%	0.116	19%	0.188	C	C	.	.			trans	-131.9	128.6	-178.2	0	0	0	0	0	109.5	H95 E150 F152	H95-A148 PolarHBondContact O-N 3.46Å; H95-A148 VanDerWaalsContact O-N 3.15Å; A148-E150 VanDerWaalsContact C-N 3.27Å; A148-F152 HydrophobicContact CB-CD1 3.65Å; A148-F152 HydrophobicContact CB-CE1 3.74Å
149	T	79.4	Confident	89	Confident	140 Å²	140	36.2 Å²	36.2	86%	0.859	19%	0.185	S	C	*	.	S	Bend	trans	-77.6	-16.9	175.9	55.1	0	0	0	0	112.9
150	E	81.8	Confident	89	Confident	94 Å²	94	34.1 Å²	34.1	44%	0.439	17%	0.172	S	C	.	.	S	Bend	trans	-114.7	144.4	-178.3	-65.7	177.4	168.6	0	0	109.7	A148	A148-E150 VanDerWaalsContact C-N 3.27Å
151	P	87.6	Confident	88.7	Confident	32 Å²	32	31.4 Å²	31.4	21%	0.208	16%	0.161	C	C	.	.			trans	-59.5	141.6	174.9	26.5	-35.1	0	0	0	110.6	L93 E94 E120	L93-P151 WeakPolarHBondContact O-CA 3.24Å; E94-P151 HydrophobicContact CG-CB 3.96Å; E120-P151 HydrophobicContact CB-CG 4.15Å; E120-P151 PolarHBondContact N-O 3.5Å; E120-P151 VanDerWaalsContact OE2-CG 3.23Å; E120-P151 WeakPolarHBondContact OE2-CG 3.47Å
152	F	90.5	Very high	88.4	Confident	3 Å²	3	34.9 Å²	34.9	1%	0.013	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	168.2	-178.5	67.8	-87.2	0	0	0	111.8	L93 H95 R117 R118 L145 A148 I154	L93-F152 HydrophobicContact CB-CD2 4.42Å; L93-F152 HydrophobicContact CB-CE1 4.39Å; L93-F152 HydrophobicContact CB-CE2 4.15Å; L93-F152 HydrophobicContact CB-CZ 4.13Å; L93-F152 WeakPolarHBondContact CB-O 3.43Å; L93-F152 HydrophobicContact CD1-CE2 4.02Å; L93-F152 HydrophobicContact CD1-CZ 4.49Å; L93-F152 PolarHBondContact N-O 3.32Å; L93-F152 PolarHBondContact O-N 3.08Å; H95-F152 HydrophobicContact CB-CE1 4.27Å; H95-F152 HydrophobicContact CB-CZ 4.4Å; H95-F152 AromaticContact ND1-CZ 3.93Å; R117-F152 HydrophobicContact CG-CB 4.12Å; R117-F152 HydrophobicContact CG-CD2 3.8Å; R117-F152 HydrophobicContact CG-CG 4.14Å; R118-F152 CarbonylContact O-C 3.53Å; R118-F152 WeakPolarHBondContact O-CA 3.23Å; R118-F152 WeakPolarHBondContact O-CB 3.49Å; L145-F152 HydrophobicContact CD1-CE2 4.3Å; L145-F152 HydrophobicContact CD1-CZ 4.41Å; A148-F152 HydrophobicContact CB-CD1 3.65Å; A148-F152 HydrophobicContact CB-CE1 3.74Å; F152-I154 HydrophobicContact CE2-CG1 4.43Å
153	R	92.5	Very high	87.9	Confident	96 Å²	96	36.5 Å²	36.5	36%	0.362	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	145.6	170	-62.8	-177.2	-177.5	-151.2	5.7	109.8	S90 R118	S90-R153 WeakPolarHBondContact O-CD 3.5Å; S90-R153 WeakPolarHBondContact OG-CA 3.48Å; R118-R153 HydrophobicContact CB-CB 4.46Å; R118-R153 PolarHBondContact N-O 2.93Å; R118-R153 PolarHBondContact O-N 2.99Å
154	I	93.9	Very high	87.4	Confident	3 Å²	3	40.3 Å²	40.3	2%	0.015	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	126.2	163.3	-57.6	168.6	0	0	0	106.6	S90 L93 V101 V115 L145 F152 I156 I175	S90-I154 WeakPolarHBondContact CB-O 3.19Å; S90-I154 PolarHBondContact N-O 2.94Å; S90-I154 PolarHBondContact OG-N 2.77Å; S90-I154 PolarHBondContact OG-O 2.92Å; L93-I154 HydrophobicContact CD1-CD1 3.68Å; L93-I154 HydrophobicContact CD1-CG1 3.8Å; V101-I154 HydrophobicContact CG2-CD1 3.89Å; V115-I154 HydrophobicContact CG1-CG2 3.77Å; L145-I154 HydrophobicContact CD1-CD1 4.05Å; F152-I154 HydrophobicContact CE2-CG1 4.43Å; I154-I156 HydrophobicContact CG2-CG1 4.08Å; I154-I175 HydrophobicContact CD1-CD1 3.76Å
155	V	94.1	Very high	87.1	Confident	1 Å²	1	42.8 Å²	42.8	1%	0.006	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	121.8	177.8	-179.5	0	0	0	0	107	I87 L89 L116 R118	I87-V155 HydrophobicContact CG2-CG1 3.57Å; L89-V155 HydrophobicContact CD2-CB 4.31Å; L89-V155 HydrophobicContact CD2-CG1 3.98Å; L89-V155 HydrophobicContact CD2-CG2 3.75Å; L116-V155 HydrophobicContact CB-CB 4.22Å; L116-V155 HydrophobicContact CD1-CB 4.45Å; L116-V155 HydrophobicContact CD1-CG1 4.23Å; L116-V155 PolarHBondContact N-O 3.16Å; L116-V155 PolarHBondContact O-N 2.79Å; R118-V155 HydrophobicContact CB-CG2 3.52Å
156	I	95.9	Very high	87.3	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	111.3	177.8	-52.7	176.6	0	0	0	108	W52 L88 L103 M113 E114 V115 I154 I170 I173	W52-I156 HydrophobicContact CH2-CG2 4.24Å; W52-I156 HydrophobicContact CZ2-CG2 4.12Å; L88-I156 HydrophobicContact CB-CB 4.27Å; L88-I156 PolarHBondContact N-O 3.22Å; L88-I156 PolarHBondContact O-N 2.86Å; L103-I156 HydrophobicContact CD2-CD1 3.8Å; M113-I156 HydrophobicContact CE-CG2 3.47Å; M113-I156 VanDerWaalsContact CE-CG2 3.47Å; M113-I156 HydrophobicContact CG-CG2 4.32Å; E114-I156 WeakPolarHBondContact O-CA 3.49Å; V115-I156 HydrophobicContact CG2-CG1 4.47Å; I154-I156 HydrophobicContact CG2-CG1 4.08Å; I156-I170 HydrophobicContact CB-CD1 4.46Å; I156-I170 HydrophobicContact CD1-CD1 3.86Å; I156-I170 HydrophobicContact CG2-CD1 3.76Å; I156-I173 HydrophobicContact CD1-CD1 3.62Å
157	Q	94.6	Very high	87.8	Confident	25 Å²	25	40.2 Å²	40.2	12%	0.117	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	116.1	176.4	-179.1	168.3	21.2	0	0	109.4	T85 G86 I87 M113 E114 L116 R159	T85-Q157 HydrophobicContact CG2-CG 4.22Å; G86-Q157 WeakPolarHBondContact O-CA 3.4Å; I87-Q157 HydrophobicContact CG1-CG 4.49Å; M113-Q157 WeakPolarHBondContact CA-O 3.48Å; E114-Q157 HydrophobicContact CB-CB 4.43Å; E114-Q157 PolarHBondContact N-O 2.86Å; E114-Q157 PolarHBondContact O-N 3.02Å; L116-Q157 HydrophobicContact CD1-CB 4.01Å; Q157-R159 HydrophobicContact CG-CG 4.35Å; Q157-R159 VanDerWaalsContact NE2-NE 3.13Å
158	G	93.9	Very high	88.5	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	127.7	172.9	0	0	0	0	0	109.5	T85 G86	T85-G158 CarbonylContact C-O 3.42Å; T85-G158 WeakPolarHBondContact CA-O 3.26Å; G86-G158 PolarHBondContact N-O 2.8Å; G86-G158 PolarHBondContact O-N 3.09Å
159	R	92.4	Very high	89.4	Confident	83 Å²	83	36.3 Å²	36.3	31%	0.313	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	107.5	171.3	-55.5	-170.3	-173.2	-159.4	1.8	108.4	A84 T85 G111 H112 Q157	A84-R159 WeakPolarHBondContact O-CA 3.38Å; T85-R159 HydrophobicContact CG2-CG 3.95Å; G111-R159 CarbonylContact C-O 3.55Å; G111-R159 WeakPolarHBondContact CA-O 3.48Å; H112-R159 HydrophobicContact CB-CB 4.3Å; H112-R159 PolarHBondContact N-O 2.94Å; H112-R159 PolarHBondContact O-N 2.95Å; Q157-R159 HydrophobicContact CG-CG 4.35Å; Q157-R159 VanDerWaalsContact NE2-NE 3.13Å
160	A	90.9	Very high	90.2	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	133.6	170.4	0	0	0	0	0	108.9	T65 A84	T65-A160 HydrophobicContact CG2-CB 4.03Å; A84-A160 HydrophobicContact CB-CB 4.38Å; A84-A160 PolarHBondContact O-N 2.97Å
161	G	85.7	Confident	90.8	Very high	11 Å²	11	28.7 Å²	28.7	11%	0.113	17%	0.172	C	C	.	.			trans	-66.3	177.2	177.2	0	0	0	0	0	112.3	T65 S110 S163 S166	T65-G161 WeakPolarHBondContact CG2-O 3.23Å; S110-G161 WeakPolarHBondContact O-CA 3.43Å; S110-G161 PolarHBondContact O-N 3.09Å; G161-S163 PolarHBondContact O-N 2.82Å; G161-S166 WeakPolarHBondContact O-CB 3.46Å; G161-S166 PolarHBondContact O-OG 2.94Å
162	T	84.1	Confident	91	Very high	76 Å²	76	29.8 Å²	29.8	47%	0.466	17%	0.174	S	C	.	.	S	Bend	trans	-84.7	-7.2	-174.2	55.8	0	0	0	0	114.4	E83	E83-T162 HydrophobicContact CG-CG2 3.88Å
163	S	83.4	Confident	91.1	Very high	44 Å²	44	29.8 Å²	29.8	31%	0.308	17%	0.174	S	C	.	.	S	Bend	trans	-69.6	145	177.3	30.3	0	0	0	0	111.2	S110 G161 G165 S166	S110-S163 PolarHBondContact OG-OG 2.88Å; G161-S163 PolarHBondContact O-N 2.82Å; S163-G165 PolarHBondContact O-N 3.12Å; S163-S166 WeakPolarHBondContact CB-OG 3.38Å; S163-S166 PolarHBondContact N-OG 3.15Å; S163-S166 WeakPolarHBondContact O-CB 3.45Å; S163-S166 PolarHBondContact O-N 3.14Å; S163-S166 PolarHBondContact O-OG 3.46Å; S163-S166 PolarHBondContact OG-OG 3.04Å
164	A	80.6	Confident	91	Very high	80 Å²	80	26.2 Å²	26.2	66%	0.661	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	133	172.4	0	0	0	0	0	109.7
165	G	82.8	Confident	90.9	Very high	54 Å²	54	26.2 Å²	26.2	56%	0.557	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.2	4.7	-175.8	0	0	0	0	0	114.8	S163 S167	S163-G165 PolarHBondContact O-N 3.12Å; G165-S167 PolarHBondContact O-N 3.12Å
166	S	90.7	Very high	90.6	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	17%	0.168	C	C	.	.			trans	-71.6	127.9	174.2	-50.9	0	0	0	0	110.5	T65 S110 G161 S163	T65-S166 PolarHBondContact N-O 3.08Å; T65-S166 PolarHBondContact OG1-O 2.88Å; S110-S166 WeakPolarHBondContact O-CB 3.33Å; G161-S166 WeakPolarHBondContact O-CB 3.46Å; G161-S166 PolarHBondContact O-OG 2.94Å; S163-S166 WeakPolarHBondContact CB-OG 3.38Å; S163-S166 PolarHBondContact N-OG 3.15Å; S163-S166 WeakPolarHBondContact O-CB 3.45Å; S163-S166 PolarHBondContact O-N 3.14Å; S163-S166 PolarHBondContact O-OG 3.46Å; S163-S166 PolarHBondContact OG-OG 3.04Å
167	S	92.9	Very high	90.2	Very high	17 Å²	17	31.1 Å²	31.1	12%	0.119	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	154.9	176.2	64.8	0	0	0	0	111.6	V63 A108 G165	V63-S167 WeakPolarHBondContact O-CA 3.32Å; A108-S167 WeakPolarHBondContact CB-OG 3.45Å; A108-S167 PolarHBondContact N-O 2.67Å; G165-S167 PolarHBondContact O-N 3.12Å
168	V	95.1	Very high	89.8	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	119.5	167.1	179.6	0	0	0	0	107	W52 A62 V63 I107 M113	W52-V168 HydrophobicContact CH2-CG1 4.08Å; A62-V168 CarbonylContact C-O 3.54Å; A62-V168 VanDerWaalsContact CA-O 3.29Å; A62-V168 WeakPolarHBondContact CA-O 3.47Å; V63-V168 HydrophobicContact CG1-CB 3.98Å; V63-V168 PolarHBondContact N-O 3.15Å; V63-V168 PolarHBondContact O-N 2.61Å; I107-V168 HydrophobicContact CG1-CG2 4.44Å; M113-V168 HydrophobicContact CB-CG1 3.86Å; M113-V168 HydrophobicContact CG-CG1 3.94Å; M113-V168 HydrophobicContact SD-CG1 4.08Å
169	S	95.3	Very high	89.7	Confident	4 Å²	4	31.8 Å²	31.8	3%	0.028	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	146.5	-172.8	-55.9	0	0	0	0	111.3	V61 A62 Y105 Q106	V61-S169 CarbonylContact O-C 3.57Å; V61-S169 VanDerWaalsContact O-CA 3.3Å; V61-S169 WeakPolarHBondContact O-CA 3.21Å; A62-S169 WeakPolarHBondContact CB-OG 3.42Å; Y105-S169 CarbonylContact C-O 3.55Å; Y105-S169 VanDerWaalsContact CA-O 3.24Å; Y105-S169 WeakPolarHBondContact CA-O 3.14Å; Y105-S169 WeakPolarHBondContact CB-O 3.31Å; Q106-S169 PolarHBondContact N-O 2.86Å; Q106-S169 PolarHBondContact O-N 2.04Å
170	I	95.8	Very high	89.6	Confident	0 Å²	0	28 Å²	28	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	119.7	176.3	-52.8	167.8	0	0	0	108.1	F36 W52 F60 V61 L88 M113 I156 I173	F36-I170 HydrophobicContact CE2-CB 4.47Å; F36-I170 HydrophobicContact CE2-CG2 3.93Å; W52-I170 HydrophobicContact CE3-CD1 4.4Å; W52-I170 HydrophobicContact CH2-CD1 3.6Å; W52-I170 HydrophobicContact CH2-CG1 4.02Å; W52-I170 HydrophobicContact CZ2-CD1 4.47Å; W52-I170 HydrophobicContact CZ3-CD1 3.57Å; W52-I170 HydrophobicContact CZ3-CG1 3.77Å; F60-I170 WeakPolarHBondContact CA-O 3.04Å; F60-I170 VanDerWaalsContact CB-O 3.28Å; F60-I170 WeakPolarHBondContact CB-O 3.39Å; V61-I170 HydrophobicContact CG2-CB 3.9Å; V61-I170 HydrophobicContact CG2-CD1 4.41Å; V61-I170 PolarHBondContact N-O 2.8Å; V61-I170 PolarHBondContact O-N 2.84Å; L88-I170 HydrophobicContact CD2-CD1 4.27Å; M113-I170 HydrophobicContact CE-CD1 3.63Å; M113-I170 HydrophobicContact CE-CG1 3.64Å; I156-I170 HydrophobicContact CB-CD1 4.46Å; I156-I170 HydrophobicContact CD1-CD1 3.86Å; I156-I170 HydrophobicContact CG2-CD1 3.76Å; I170-I173 HydrophobicContact CG2-CD1 4.27Å; I170-I173 HydrophobicContact CG2-CG1 3.81Å
171	F	93.4	Very high	89.6	Confident	73 Å²	73	28.1 Å²	28.1	32%	0.32	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	-40.1	178.2	-177	-101.2	0	0	0	111.8	F36 H59 F60 V104 W138	F36-F171 WeakPolarHBondContact CD2-O 3.21Å; H59-F171 HydrophobicContact CB-CE2 4.43Å; F60-F171 HydrophobicContact CB-CD2 4.29Å; V104-F171 HydrophobicContact CB-CB 4.27Å; V104-F171 HydrophobicContact CG1-CB 4.05Å; V104-F171 HydrophobicContact CG1-CD1 4.29Å; V104-F171 PolarHBondContact O-N 3.2Å; W138-F171 HydrophobicContact CD2-CB 3.99Å; W138-F171 HydrophobicContact CE3-CB 3.64Å; W138-F171 HydrophobicContact CH2-CB 3.75Å; W138-F171 HydrophobicContact CH2-CD2 4.48Å; W138-F171 HydrophobicContact CZ2-CB 4.06Å; W138-F171 HydrophobicContact CZ2-CD2 4.14Å; W138-F171 HydrophobicContact CZ2-CG 4.46Å; W138-F171 HydrophobicContact CZ3-CB 3.53Å
172	E	92.3	Very high	89.9	Confident	56 Å²	56	30.4 Å²	30.4	26%	0.262	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	144.3	-175.5	-177.2	173.8	-171.6	0	0	111.4	C34 L103 V104	C34-E172 WeakPolarHBondContact O-CA 3.37Å; L103-E172 WeakPolarHBondContact CA-O 3.32Å; V104-E172 HydrophobicContact CB-CB 4.13Å; V104-E172 HydrophobicContact CG2-CB 4.04Å; V104-E172 PolarHBondContact N-O 3.06Å; V104-E172 PolarHBondContact O-N 3.16Å
173	I	93.4	Very high	90.3	Very high	2 Å²	2	27.1 Å²	27.1	1%	0.01	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	117.5	168.4	-58.1	171.3	0	0	0	107.2	S33 C34 F36 Y43 V101 L103 I156 I170 I175	S33-I173 CarbonylContact C-O 3.4Å; S33-I173 WeakPolarHBondContact CA-O 2.97Å; C34-I173 PolarHBondContact N-O 3.47Å; C34-I173 PolarHBondContact O-N 2.77Å; F36-I173 HydrophobicContact CE2-CD1 4.09Å; F36-I173 HydrophobicContact CE2-CG1 4.09Å; F36-I173 HydrophobicContact CZ-CD1 3.9Å; F36-I173 HydrophobicContact CZ-CG1 4.4Å; Y43-I173 HydrophobicContact CE1-CD1 3.88Å; Y43-I173 HydrophobicContact CE2-CD1 4.13Å; Y43-I173 WeakPolarHBondContact OH-CD1 3.33Å; V101-I173 HydrophobicContact CG1-CG2 3.96Å; L103-I173 HydrophobicContact CD2-CG1 4.33Å; I156-I173 HydrophobicContact CD1-CD1 3.62Å; I170-I173 HydrophobicContact CG2-CD1 4.27Å; I170-I173 HydrophobicContact CG2-CG1 3.81Å; I173-I175 HydrophobicContact CG2-CG1 4.25Å
174	H	90.5	Very high	90.6	Very high	22 Å²	22	27.6 Å²	27.6	10%	0.102	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	118.3	-179.1	-171.8	-118.1	0	0	0	109.5	L29 R102 T176 E187	L29-H174 WeakPolarHBondContact CD2-CD2 3.03Å; L29-H174 WeakPolarHBondContact CD2-NE2 3.05Å; R102-H174 HydrophobicContact CB-CB 4.33Å; R102-H174 PolarHBondContact N-O 3.11Å; R102-H174 PolarHBondContact O-N 2.75Å; H174-T176 WeakPolarHBondContact CE1-CG2 3.17Å; H174-E187 IonicContact CE1-OE1 3.62Å; H174-E187 PolarHBondContact CE1-OE1 2.85Å; H174-E187 IonicContact ND1-OE1 3.8Å
175	I	90.6	Very high	91	Very high	2 Å²	2	23.9 Å²	23.9	1%	0.01	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	119.2	179.8	-48.7	-173.4	0	0	0	109.1	L30 S33 L93 C100 V101 I154 I173	L30-I175 HydrophobicContact CB-CB 4.13Å; L30-I175 HydrophobicContact CB-CG2 4.05Å; L30-I175 HydrophobicContact CD1-CG2 4.03Å; S33-I175 PolarHBondContact OG-N 2.96Å; L93-I175 HydrophobicContact CD1-CD1 4.4Å; C100-I175 WeakPolarHBondContact O-CA 3.27Å; V101-I175 HydrophobicContact CG1-CG1 4.4Å; V101-I175 HydrophobicContact CG2-CD1 4.26Å; V101-I175 HydrophobicContact CG2-CG1 4.1Å; V101-I175 HydrophobicContact CG2-CG2 4.35Å; I154-I175 HydrophobicContact CD1-CD1 3.76Å; I173-I175 HydrophobicContact CG2-CG1 4.25Å
176	T	87.3	Confident	91.1	Very high	22 Å²	22	23 Å²	23	14%	0.135	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	144.2	-179.6	48	0	0	0	0	110.6	S99 C100 R102 H174	S99-T176 CarbonylContact C-O 3.45Å; S99-T176 WeakPolarHBondContact CA-O 3.42Å; S99-T176 VanDerWaalsContact CB-O 3.3Å; S99-T176 WeakPolarHBondContact CB-O 3.3Å; C100-T176 PolarHBondContact N-O 3.43Å; C100-T176 PolarHBondContact O-N 2.9Å; C100-T176 PolarHBondContact O-OG1 2.92Å; R102-T176 PolarHBondContact NH1-OG1 2.84Å; H174-T176 WeakPolarHBondContact CE1-CG2 3.17Å
177	P	87.7	Confident	90.6	Very high	83 Å²	83	25 Å²	25	54%	0.539	13%	0.133	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	151.6	170.6	29.9	-33.8	0	0	0	110.1	L30	L30-P177 HydrophobicContact CD1-CB 4.26Å
178	G	87.8	Confident	89.7	Confident	16 Å²	16	30.7 Å²	30.7	17%	0.165	17%	0.169	C	C	.	.	S	Bend	trans	99.2	-167.8	-179.9	0	0	0	0	0	114	W98 S99 C100	W98-G178 CarbonylContact C-O 3.44Å; W98-G178 PolarHBondContact O-N 3.48Å; S99-G178 CarbonylContact C-O 3.47Å; S99-G178 VanDerWaalsContact CA-O 3.23Å; S99-G178 WeakPolarHBondContact CA-O 3.32Å; S99-G178 PolarHBondContact N-O 3.38Å; C100-G178 PolarHBondContact N-O 3.29Å
179	Y	90	Very high	88.8	Confident	23 Å²	23	32.9 Å²	32.9	9%	0.09	18%	0.18	C	C	.	.			trans	-95.3	149.9	-175.9	-61.5	-95	0	0	0	111.5	W98 L181 E182 M256 F342 P344	W98-Y179 HydrophobicContact CB-CE1 4.44Å; W98-Y179 AromaticContact CD1-CD1 3.81Å; W98-Y179 AromaticContact CD1-CE1 3.93Å; W98-Y179 HydrophobicContact CD2-CD1 4.17Å; W98-Y179 AromaticContact CD2-CE1 3.51Å; W98-Y179 HydrophobicContact CD2-CE1 3.51Å; W98-Y179 AromaticContact CD2-CZ 3.99Å; W98-Y179 AromaticContact CE2-CE1 3.6Å; W98-Y179 AromaticContact CE3-CE1 3.88Å; W98-Y179 HydrophobicContact CE3-CE1 3.88Å; W98-Y179 HydrophobicContact CG-CD1 4.07Å; W98-Y179 AromaticContact CG-CE1 3.76Å; W98-Y179 HydrophobicContact CG-CE1 3.76Å; W98-Y179 HydrophobicContact CH2-CE1 4.31Å; W98-Y179 HydrophobicContact CZ2-CE1 4.06Å; W98-Y179 HydrophobicContact CZ3-CE1 4.22Å; W98-Y179 AromaticContact NE1-CD1 3.79Å; W98-Y179 AromaticContact NE1-CE1 3.86Å; Y179-L181 PolarHBondContact O-N 2.91Å; Y179-L181 VanDerWaalsContact O-N 3.09Å; Y179-E182 WeakPolarHBondContact CD2-OE1 3.44Å; Y179-E182 WeakPolarHBondContact O-CB 3.41Å; Y179-E182 PolarHBondContact O-N 3.11Å; Y179-M256 HydrophobicContact CD1-SD 4.24Å; Y179-F342 AromaticContact CD1-CD1 3.77Å; Y179-F342 HydrophobicContact CD1-CD1 3.77Å; Y179-F342 HydrophobicContact CD1-CE1 4.08Å; Y179-F342 HydrophobicContact CD2-CB 4.33Å; Y179-F342 AromaticContact CD2-CD1 3.61Å; Y179-F342 HydrophobicContact CD2-CD1 3.61Å; Y179-F342 HydrophobicContact CD2-CE1 4.48Å; Y179-F342 HydrophobicContact CD2-CG 4.46Å; Y179-F342 AromaticContact CE1-CD1 3.85Å; Y179-F342 HydrophobicContact CE1-CD1 3.85Å; Y179-F342 AromaticContact CE1-CE1 3.81Å; Y179-F342 HydrophobicContact CE1-CE1 3.81Å; Y179-F342 AromaticContact CE2-CD1 3.7Å; Y179-F342 HydrophobicContact CE2-CD1 3.7Å; Y179-F342 HydrophobicContact CE2-CE1 4.24Å; Y179-F342 HydrophobicContact CG-CB 4.48Å; Y179-F342 AromaticContact CG-CD1 3.64Å; Y179-F342 HydrophobicContact CG-CD1 3.64Å; Y179-F342 HydrophobicContact CG-CE1 4.41Å; Y179-F342 HydrophobicContact CG-CG 4.49Å; Y179-F342 AromaticContact CZ-CD1 3.83Å; Y179-F342 AromaticContact CZ-CE1 3.9Å; Y179-P344 WeakPolarHBondContact OH-CG 3.3Å
180	C	91.3	Very high	88.4	Confident	3 Å²	3	34.4 Å²	34.4	2%	0.02	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-13.1	179.1	-72.2	0	0	0	0	114.5	C100 V143 D144 E182	C100-C180 WeakPolarHBondContact CA-SG 3.38Å; C100-C180 HydrophobicContact CB-CB 3.97Å; C100-C180 WeakPolarHBondContact CB-SG 3.06Å; C100-C180 WeakPolarHBondContact SG-CA 3.24Å; C100-C180 WeakPolarHBondContact SG-CB 3.47Å; C100-C180 CovalentContact SG-SG 2.04Å; C100-C180 PolarHBondContact SG-SG 2.68Å; V143-C180 PolarHBondContact O-SG 3.4Å; D144-C180 VanDerWaalsContact OD1-CB 3.3Å; D144-C180 WeakPolarHBondContact OD1-CB 3.46Å; D144-C180 PolarHBondContact OD1-N 3.44Å; C180-E182 VanDerWaalsContact C-N 3.32Å
181	L	91.4	Very high	88.1	Confident	2 Å²	2	34.5 Å²	34.5	1%	0.01	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-21.8	172.9	-73.1	-177.1	0	0	0	113.5	Y179 Y193 S249 M256 L313 V321	Y179-L181 PolarHBondContact O-N 2.91Å; Y179-L181 VanDerWaalsContact O-N 3.09Å; L181-Y193 WeakPolarHBondContact O-CE2 3.47Å; L181-Y193 PolarHBondContact O-OH 3.15Å; L181-S249 VanDerWaalsContact CD2-OG 3.3Å; L181-S249 WeakPolarHBondContact CD2-OG 3.31Å; L181-M256 HydrophobicContact CD1-CE 3.21Å; L181-M256 HydrophobicContact CD1-SD 4.24Å; L181-M256 HydrophobicContact CG-CE 3.81Å; L181-L313 HydrophobicContact CD1-CD2 3.94Å; L181-V321 HydrophobicContact CD1-CG2 4.14Å; L181-V321 HydrophobicContact CD2-CG2 4.05Å
182	E	91.8	Very high	87.8	Confident	60 Å²	60	31.9 Å²	31.9	28%	0.28	18%	0.181	S	C	.	.			trans	-72.2	136.3	-175.3	-57.2	-175.7	176.8	0	0	110.9	R102 Y179 C180 I340	R102-E182 PolarHBondContact NH2-O 2.81Å; Y179-E182 WeakPolarHBondContact CD2-OE1 3.44Å; Y179-E182 WeakPolarHBondContact O-CB 3.41Å; Y179-E182 PolarHBondContact O-N 3.11Å; C180-E182 VanDerWaalsContact C-N 3.32Å; E182-I340 CarbonylContact C-O 3.53Å; E182-I340 VanDerWaalsContact CA-O 3.25Å; E182-I340 WeakPolarHBondContact CA-O 2.94Å
183	C	92.1	Very high	87.8	Confident	6 Å²	6	29.7 Å²	29.7	4%	0.041	17%	0.171	C	C	.	.	B	Isolated β-bridge	trans	-160.3	123.6	178.8	-163.8	0	0	0	0	112.5	F185 C191 Y193 I340	C183-F185 HydrophobicContact CB-CD1 4.48Å; C183-F185 HydrophobicContact CB-CE1 4.3Å; C183-F185 WeakPolarHBondContact SG-CD1 3.41Å; C183-F185 PolarHBondContact SG-N 2.65Å; C183-C191 WeakPolarHBondContact CA-SG 3.16Å; C183-C191 HydrophobicContact CB-CB 3.49Å; C183-C191 VanDerWaalsContact CB-CB 3.49Å; C183-C191 WeakPolarHBondContact CB-SG 3.31Å; C183-C191 WeakPolarHBondContact SG-CB 3.42Å; C183-C191 CovalentContact SG-SG 2.03Å; C183-C191 PolarHBondContact SG-SG 3.26Å; C183-Y193 HydrophobicContact CB-CD2 3.94Å; C183-Y193 HydrophobicContact CB-CE2 3.67Å; C183-I340 PolarHBondContact N-O 2.84Å; C183-I340 PolarHBondContact O-N 3.32Å
184	D	88.9	Confident	87.7	Confident	55 Å²	55	34.6 Å²	34.6	29%	0.294	20%	0.197	S	C	.	.			trans	-93.6	0.9	167.7	61.6	2.4	0	0	0	112.1	E186 T222	D184-E186 HydrophobicContact CB-CG 4.28Å; D184-E186 PolarHBondContact O-N 3.05Å; D184-E186 PolarHBondContact OD1-N 3.48Å; D184-E186 VanDerWaalsContact OD1-N 3.12Å; D184-T222 HydrophobicContact CB-CG2 4.26Å
185	F	90.3	Very high	87.7	Confident	2 Å²	2	35.4 Å²	35.4	1%	0.009	20%	0.202	C	C	.	.	S	Bend	trans	59.6	10	-177.5	-58.3	-67.4	0	0	0	116.6	C183 L190 Y193 H229 M231 L247 L337 I340	C183-F185 HydrophobicContact CB-CD1 4.48Å; C183-F185 HydrophobicContact CB-CE1 4.3Å; C183-F185 WeakPolarHBondContact SG-CD1 3.41Å; C183-F185 PolarHBondContact SG-N 2.65Å; F185-L190 HydrophobicContact CD1-CB 4.4Å; F185-L190 HydrophobicContact CD1-CD2 4.34Å; F185-Y193 HydrophobicContact CE1-CD2 4.42Å; F185-Y193 HydrophobicContact CE1-CG 4.32Å; F185-H229 WeakPolarHBondContact CB-O 3.19Å; F185-H229 WeakPolarHBondContact O-CB 3.21Å; F185-M231 HydrophobicContact CD1-CG 3.45Å; F185-M231 VanDerWaalsContact CD1-CG 3.45Å; F185-M231 HydrophobicContact CD1-SD 4.19Å; F185-M231 HydrophobicContact CD2-CG 3.9Å; F185-M231 HydrophobicContact CE1-CG 3.39Å; F185-M231 HydrophobicContact CE1-SD 4.46Å; F185-M231 HydrophobicContact CE2-CB 4.24Å; F185-M231 HydrophobicContact CE2-CG 3.82Å; F185-M231 HydrophobicContact CG-CG 3.71Å; F185-M231 HydrophobicContact CZ-CB 4.23Å; F185-M231 HydrophobicContact CZ-CG 3.57Å; F185-L247 HydrophobicContact CE1-CD2 4.12Å; F185-L247 HydrophobicContact CZ-CD2 3.9Å; F185-L337 HydrophobicContact CE2-CG 4.37Å; F185-I340 HydrophobicContact CE2-CD1 4.01Å; F185-I340 HydrophobicContact CE2-CG1 4.32Å; F185-I340 HydrophobicContact CZ-CD1 3.59Å; F185-I340 HydrophobicContact CZ-CG1 4.38Å
186	E	85.3	Confident	87.6	Confident	35 Å²	35	38.4 Å²	38.4	16%	0.164	22%	0.216	C	C	.	.			trans	-79.9	-21.7	-179	-63	-60.1	174.6	0	0	113.2	D184 T222 Y223 G228 H229	D184-E186 HydrophobicContact CB-CG 4.28Å; D184-E186 PolarHBondContact O-N 3.05Å; D184-E186 PolarHBondContact OD1-N 3.48Å; D184-E186 VanDerWaalsContact OD1-N 3.12Å; E186-T222 HydrophobicContact CG-CG2 4.39Å; E186-Y223 HydrophobicContact CG-CD2 4.41Å; E186-Y223 HydrophobicContact CG-CE2 3.61Å; E186-Y223 VanDerWaalsContact OE1-CD2 3.29Å; E186-Y223 WeakPolarHBondContact OE1-CD2 3.42Å; E186-Y223 VanDerWaalsContact OE1-CE2 3.29Å; E186-Y223 WeakPolarHBondContact OE1-CE2 3.45Å; E186-G228 WeakPolarHBondContact OE1-CA 3.42Å; E186-H229 VanDerWaalsContact CD-N 3.27Å; E186-H229 PolarHBondContact OE1-N 2.77Å; E186-H229 IonicContact OE2-CE1 2.88Å; E186-H229 IonicContact OE2-CG 3.86Å; E186-H229 PolarHBondContact OE2-N 2.86Å; E186-H229 IonicContact OE2-ND1 3.61Å; E186-H229 PolarHBondContact OE2-ND1 2.76Å
187	E	78.3	Confident	87.4	Confident	42 Å²	42	46.7 Å²	46.7	20%	0.196	25%	0.245	C	C	.	.	S	Bend	trans	-73.4	135	174.9	-62.9	-178.2	153.6	0	0	110.7	R102 H174 H189 L190	R102-E187 IonicContact CZ-OE2 2.88Å; R102-E187 IonicContact NH1-OE1 3.55Å; R102-E187 IonicContact NH1-OE2 3.6Å; R102-E187 PolarHBondContact NH1-OE2 2.89Å; H174-E187 IonicContact CE1-OE1 3.62Å; H174-E187 PolarHBondContact CE1-OE1 2.85Å; H174-E187 IonicContact ND1-OE1 3.8Å; E187-H189 PolarHBondContact O-N 2.9Å; E187-H189 IonicContact OE2-CE1 3.29Å; E187-H189 PolarHBondContact OE2-CE1 2.81Å; E187-H189 IonicContact OE2-ND1 3.96Å; E187-H189 IonicContact OE2-NE2 3.88Å; E187-L190 PolarHBondContact O-N 3.03Å
188	P	74.7	Confident	87.2	Confident	136 Å²	136	44.8 Å²	44.8	88%	0.883	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56	-21.7	-177.9	-27	33.7	0	0	0	115.3
189	H	76.3	Confident	86.9	Confident	46 Å²	46	49.7 Å²	49.7	21%	0.213	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100	15.6	-179.6	56.4	67.4	0	0	0	113.8	I140 E187 C191 G192	I140-H189 HydrophobicContact CD1-CB 3.35Å; E187-H189 PolarHBondContact O-N 2.9Å; E187-H189 IonicContact OE2-CE1 3.29Å; E187-H189 PolarHBondContact OE2-CE1 2.81Å; E187-H189 IonicContact OE2-ND1 3.96Å; E187-H189 IonicContact OE2-NE2 3.88Å; H189-C191 PolarHBondContact ND1-N 2.91Å; H189-C191 PolarHBondContact O-N 3.33Å; H189-G192 PolarHBondContact O-N 3.22Å
190	L	87.3	Confident	86.5	Confident	36 Å²	36	50.4 Å²	50.4	19%	0.188	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	51.5	36.2	175.4	-51.4	178.8	0	0	0	112.7	F185 E187 G192 Y193 V205 M231	F185-L190 HydrophobicContact CD1-CB 4.4Å; F185-L190 HydrophobicContact CD1-CD2 4.34Å; E187-L190 PolarHBondContact O-N 3.03Å; L190-G192 PolarHBondContact O-N 3.03Å; L190-Y193 WeakPolarHBondContact O-CB 3.19Å; L190-Y193 PolarHBondContact O-N 2.77Å; L190-V205 HydrophobicContact CD1-CG2 4.27Å; L190-V205 HydrophobicContact CD2-CG2 3.79Å; L190-M231 HydrophobicContact CD1-CE 4.42Å; L190-M231 HydrophobicContact CD1-SD 4.12Å; L190-M231 HydrophobicContact CD2-SD 4.1Å
191	C	88.3	Confident	86.2	Confident	2 Å²	2	50.3 Å²	50.3	1%	0.014	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	55.9	14.6	-178.4	-34.7	0	0	0	0	115.4	R102 C183 H189 Y193	R102-C191 PolarHBondContact NE-O 3.5Å; R102-C191 PolarHBondContact NH2-O 3.4Å; C183-C191 WeakPolarHBondContact CA-SG 3.16Å; C183-C191 HydrophobicContact CB-CB 3.49Å; C183-C191 VanDerWaalsContact CB-CB 3.49Å; C183-C191 WeakPolarHBondContact CB-SG 3.31Å; C183-C191 WeakPolarHBondContact SG-CB 3.42Å; C183-C191 CovalentContact SG-SG 2.03Å; C183-C191 PolarHBondContact SG-SG 3.26Å; H189-C191 PolarHBondContact ND1-N 2.91Å; H189-C191 PolarHBondContact O-N 3.33Å; C191-Y193 HydrophobicContact CB-CD2 4.36Å
192	G	87.6	Confident	86.1	Confident	18 Å²	18	50.2 Å²	50.2	19%	0.186	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	92.2	1.9	-173.8	0	0	0	0	0	114.9	H189 L190	H189-G192 PolarHBondContact O-N 3.22Å; L190-G192 PolarHBondContact O-N 3.03Å
193	Y	92.5	Very high	86.1	Confident	11 Å²	11	47.5 Å²	47.5	4%	0.043	25%	0.249	C	C	.	.			trans	-65.2	135.7	171.3	-81.7	-100.4	0	0	0	110.7	L181 C183 F185 L190 C191 L247 V248 S249 F323 I340	L181-Y193 WeakPolarHBondContact O-CE2 3.47Å; L181-Y193 PolarHBondContact O-OH 3.15Å; C183-Y193 HydrophobicContact CB-CD2 3.94Å; C183-Y193 HydrophobicContact CB-CE2 3.67Å; F185-Y193 HydrophobicContact CE1-CD2 4.42Å; F185-Y193 HydrophobicContact CE1-CG 4.32Å; L190-Y193 WeakPolarHBondContact O-CB 3.19Å; L190-Y193 PolarHBondContact O-N 2.77Å; C191-Y193 HydrophobicContact CB-CD2 4.36Å; Y193-L247 HydrophobicContact CD1-CD1 4.46Å; Y193-L247 HydrophobicContact CD1-CD2 4.25Å; Y193-L247 HydrophobicContact CD1-CG 3.92Å; Y193-V248 WeakPolarHBondContact CA-O 3.36Å; Y193-S249 VanDerWaalsContact CE1-CA 3.44Å; Y193-S249 VanDerWaalsContact CE1-CB 3.46Å; Y193-F323 HydrophobicContact CE1-CD2 4.18Å; Y193-F323 AromaticContact CE1-CE2 3.9Å; Y193-F323 HydrophobicContact CE1-CE2 3.9Å; Y193-I340 HydrophobicContact CE1-CD1 3.92Å; Y193-I340 HydrophobicContact CE2-CD1 4.3Å
194	N	91.1	Very high	86	Confident	105 Å²	105	50.8 Å²	50.8	56%	0.561	26%	0.26	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.7	129.5	-178.5	-174.9	30.1	0	0	0	111	V248	N194-V248 PolarHBondContact N-O 3.28Å; N194-V248 PolarHBondContact O-N 2.69Å
195	N	90.6	Very high	85.9	Confident	39 Å²	39	51.6 Å²	51.6	21%	0.209	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	113.5	173.2	-172.7	16.3	0	0	0	109.3	W197 W203	N195-W197 PolarHBondContact O-N 2.84Å; N195-W203 PolarHBondContact ND2-O 3.45Å; N195-W203 PolarHBondContact OD1-N 3.22Å
196	Q	89.4	Confident	85.4	Confident	64 Å²	64	51.6 Å²	51.6	30%	0.299	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	104.2	176	-72.3	-169.2	3.5	0	0	109.8	N198 K246 V248 R279	Q196-N198 PolarHBondContact O-N 2.84Å; Q196-K246 HydrophobicContact CB-CB 4.18Å; Q196-K246 PolarHBondContact N-O 2.62Å; Q196-V248 HydrophobicContact CG-CG2 3.83Å; Q196-R279 VanDerWaalsContact NE2-NH1 3.18Å
197	W	83.8	Confident	84.9	Confident	196 Å²	196	50.9 Å²	50.9	74%	0.742	27%	0.27	S	S	*	.			trans	-55.4	124.6	-174.4	-172.8	-95.6	0	0	0	112.5	N195 N202	N195-W197 PolarHBondContact O-N 2.84Å; W197-N202 WeakPolarHBondContact CA-OD1 3.25Å
198	N	83.2	Confident	84	Confident	43 Å²	43	50.2 Å²	50.2	23%	0.23	27%	0.274	C	S	.	.			trans	-126.7	139.5	171.9	179.6	-25.9	0	0	0	107.7	Q196 N200 V201 N202 V244	Q196-N198 PolarHBondContact O-N 2.84Å; N198-N200 PolarHBondContact O-N 3.21Å; N198-N200 VanDerWaalsContact O-N 3.13Å; N198-N200 PolarHBondContact OD1-N 2.91Å; N198-N200 VanDerWaalsContact OD1-N 3.16Å; N198-V201 WeakPolarHBondContact CB-O 3.46Å; N198-N202 PolarHBondContact N-OD1 2.79Å; N198-N202 VanDerWaalsContact O-CG 3.27Å; N198-N202 PolarHBondContact O-ND2 2.75Å; N198-N202 PolarHBondContact O-OD1 2.85Å; N198-N202 VanDerWaalsContact O-OD1 3.09Å; N198-V244 PolarHBondContact ND2-O 2.76Å
199	V	81.1	Confident	83.1	Confident	119 Å²	119	46.6 Å²	46.6	72%	0.721	26%	0.262	S	S	*	.	S	Bend	trans	-62.6	-26.1	-173.9	178.8	0	0	0	0	112.7
200	N	81.3	Confident	81.7	Confident	38 Å²	38	50.1 Å²	50.1	20%	0.203	29%	0.287	C	S	.	.	S	Bend	trans	-113.2	-35.7	-169.1	-59.5	-37.9	0	0	0	114.3	N198 Y237 E243	N198-N200 PolarHBondContact O-N 3.21Å; N198-N200 VanDerWaalsContact O-N 3.13Å; N198-N200 PolarHBondContact OD1-N 2.91Å; N198-N200 VanDerWaalsContact OD1-N 3.16Å; N200-Y237 CarbonylContact O-C 3.43Å; N200-Y237 WeakPolarHBondContact O-CB 3.21Å; N200-E243 HydrophobicContact CB-CG 4.02Å; N200-E243 WeakPolarHBondContact CB-OE2 3.23Å; N200-E243 PolarHBondContact ND2-OE1 3.48Å
201	V	85.7	Confident	79.9	Confident	1 Å²	1	57 Å²	57	1%	0.006	32%	0.317	C	S	.	.			trans	-140.5	121.4	-176	-171.4	0	0	0	0	109.9	N198 V233 A238 E243 A245 F327	N198-V201 WeakPolarHBondContact CB-O 3.46Å; V201-V233 HydrophobicContact CG1-CG2 3.4Å; V201-V233 VanDerWaalsContact CG1-CG2 3.4Å; V201-A238 HydrophobicContact CG2-CB 3.67Å; V201-E243 HydrophobicContact CB-CB 4.43Å; V201-E243 HydrophobicContact CG2-CB 3.75Å; V201-A245 HydrophobicContact CG1-CB 3.96Å; V201-F327 HydrophobicContact CG1-CD2 3.78Å; V201-F327 HydrophobicContact CG1-CE2 3.56Å; V201-F327 HydrophobicContact CG2-CD2 4.49Å
202	N	89.1	Confident	77.9	Confident	1 Å²	1	64.6 Å²	64.6	1%	0.005	36%	0.357	C	S	.	.			trans	-133.7	164.5	179.7	-60.3	-80	0	0	0	111.1	W197 N198 Y204 V233	W197-N202 WeakPolarHBondContact CA-OD1 3.25Å; N198-N202 PolarHBondContact N-OD1 2.79Å; N198-N202 VanDerWaalsContact O-CG 3.27Å; N198-N202 PolarHBondContact O-ND2 2.75Å; N198-N202 PolarHBondContact O-OD1 2.85Å; N198-N202 VanDerWaalsContact O-OD1 3.09Å; N202-Y204 HydrophobicContact CB-CE1 4.24Å; N202-Y204 HydrophobicContact CB-CE2 4.15Å; N202-Y204 PolarHBondContact ND2-OH 3.39Å; N202-Y204 WeakPolarHBondContact O-CD2 3.47Å; N202-Y204 WeakPolarHBondContact O-CE2 3.38Å; N202-V233 WeakPolarHBondContact O-CG2 3.23Å
203	W	91.5	Very high	76.2	Confident	3 Å²	3	66.9 Å²	66.9	1%	0.011	37%	0.368	C	S	.	.			trans	-75.9	142	164.3	-70.3	88	0	0	0	110.4	N195 M231 Y232 V233 A245 K246 L247 F274 F323 V325 V335 L337	N195-W203 PolarHBondContact ND2-O 3.45Å; N195-W203 PolarHBondContact OD1-N 3.22Å; W203-M231 HydrophobicContact CB-CE 3.6Å; W203-M231 HydrophobicContact CE3-CB 3.8Å; W203-M231 HydrophobicContact CZ3-CB 4.17Å; W203-Y232 CarbonylContact C-O 3.56Å; W203-Y232 WeakPolarHBondContact CA-O 3.48Å; W203-V233 HydrophobicContact CD2-CB 4.37Å; W203-V233 HydrophobicContact CD2-CG1 4.41Å; W203-V233 HydrophobicContact CE3-CB 4.42Å; W203-V233 HydrophobicContact CE3-CG1 4.36Å; W203-V233 HydrophobicContact CH2-CG1 4.43Å; W203-V233 HydrophobicContact CZ2-CG1 4.45Å; W203-V233 HydrophobicContact CZ3-CG1 4.37Å; W203-A245 PolarHBondContact NE1-O 3.4Å; W203-K246 VanDerWaalsContact CD1-C 3.43Å; W203-L247 HydrophobicContact CB-CB 4.43Å; W203-L247 HydrophobicContact CB-CD1 4.46Å; W203-L247 VanDerWaalsContact CD1-N 3.3Å; W203-L247 HydrophobicContact CD2-CB 3.88Å; W203-L247 HydrophobicContact CD2-CD2 4.4Å; W203-L247 HydrophobicContact CE3-CD2 4.49Å; W203-L247 HydrophobicContact CG-CB 3.73Å; W203-L247 HydrophobicContact CZ2-CB 4.44Å; W203-L247 VanDerWaalsContact NE1-N 3.17Å; W203-F274 HydrophobicContact CH2-CE2 4.19Å; W203-F274 HydrophobicContact CZ2-CE2 4.24Å; W203-F323 HydrophobicContact CZ2-CB 3.96Å; W203-F323 PolarHBondContact NE1-O 3.5Å; W203-V325 HydrophobicContact CH2-CG2 4.06Å; W203-V325 HydrophobicContact CZ2-CG2 3.65Å; W203-V335 HydrophobicContact CH2-CG1 4.46Å; W203-L337 HydrophobicContact CH2-CB 3.87Å; W203-L337 HydrophobicContact CH2-CD2 4.05Å; W203-L337 HydrophobicContact CZ3-CB 3.67Å; W203-L337 HydrophobicContact CZ3-CD2 4.28Å
204	Y	88.9	Confident	74.3	Confident	74 Å²	74	73.2 Å²	73.2	29%	0.29	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	151.5	-179.3	-60.1	-76.2	0	0	0	109.7	N202 M231 Y232	N202-Y204 HydrophobicContact CB-CE1 4.24Å; N202-Y204 HydrophobicContact CB-CE2 4.15Å; N202-Y204 PolarHBondContact ND2-OH 3.39Å; N202-Y204 WeakPolarHBondContact O-CD2 3.47Å; N202-Y204 WeakPolarHBondContact O-CE2 3.38Å; Y204-M231 CarbonylContact O-C 3.55Å; Y204-M231 WeakPolarHBondContact O-CA 3.45Å; Y204-Y232 PolarHBondContact N-O 3.28Å; Y204-Y232 WeakPolarHBondContact O-CD1 3.23Å; Y204-Y232 PolarHBondContact O-N 3.01Å
205	V	87.9	Confident	72.3	Confident	72 Å²	72	76.5 Å²	76.5	44%	0.436	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	124.9	172.8	-175.2	0	0	0	0	108.7	L190 H229 F230 M231	L190-V205 HydrophobicContact CD1-CG2 4.27Å; L190-V205 HydrophobicContact CD2-CG2 3.79Å; V205-H229 HydrophobicContact CG1-CB 4.06Å; V205-F230 CarbonylContact C-O 3.55Å; V205-F230 WeakPolarHBondContact CA-O 3.47Å; V205-M231 HydrophobicContact CB-SD 4.48Å; V205-M231 HydrophobicContact CG2-SD 3.78Å
206	G	79.2	Confident	70.6	Confident	3 Å²	3	77.6 Å²	77.6	3%	0.031	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	163.3	171.3	0	0	0	0	0	111.6	H229 F230	G206-H229 WeakPolarHBondContact O-CA 3.18Å; G206-F230 PolarHBondContact N-O 3.12Å; G206-F230 PolarHBondContact O-N 2.88Å
207	G	75.5	Confident	69.3	Low	19 Å²	19	75.7 Å²	75.7	20%	0.196	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	86.8	-148.2	176.9	0	0	0	0	0	115.5	G209 R226 G228	G207-G209 PolarHBondContact O-N 3.4Å; G207-R226 CarbonylContact C-O 3.5Å; G207-G228 CarbonylContact C-O 3.49Å; G207-G228 VanDerWaalsContact CA-O 3.24Å; G207-G228 WeakPolarHBondContact CA-O 3.21Å
208	G	59.7	Low	68.3	Low	28 Å²	28	67 Å²	67	29%	0.289	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.5	13.9	172.1	0	0	0	0	0	118	V210 R226 G228	G208-V210 PolarHBondContact O-N 2.98Å; G208-V210 VanDerWaalsContact O-N 3.1Å; G208-R226 PolarHBondContact N-O 3.4Å; G208-G228 PolarHBondContact N-O 3.37Å
209	G	55.6	Low	67.4	Low	61 Å²	61	68.2 Å²	68.2	63%	0.629	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.8	1.9	173	0	0	0	0	0	117.5	G207 R226	G207-G209 PolarHBondContact O-N 3.4Å; G209-R226 PolarHBondContact N-O 2.63Å
210	V	46.7	Very low	66.6	Low	120 Å²	120	62.6 Å²	62.6	73%	0.727	37%	0.368	S	S	*	.			trans	-99.8	130.4	175.7	-176.9	0	0	0	0	110.9	G208 L212	G208-V210 PolarHBondContact O-N 2.98Å; G208-V210 VanDerWaalsContact O-N 3.1Å; V210-L212 PolarHBondContact O-N 2.83Å
211	Q	49.8	Very low	66.3	Low	179 Å²	179	63 Å²	63	84%	0.836	37%	0.368	S	S	*	.	S	Bend	trans	-54.6	111.3	-176	-69.5	159.7	-43.7	0	0	113.3
212	L	46.5	Very low	65.7	Low	162 Å²	162	65 Å²	65	85%	0.848	38%	0.381	S	S	*	.			trans	169.5	23.3	141	-92.8	155.3	0	0	0	112.9	V210 H214	V210-L212 PolarHBondContact O-N 2.83Å; L212-H214 PolarHBondContact O-N 2.9Å; L212-H214 VanDerWaalsContact O-N 3.11Å
213	V	51.1	Low	64.6	Low	67 Å²	67	71.1 Å²	71.1	41%	0.406	41%	0.405	S	S	.	.			trans	-65.9	115.2	169.1	-177.9	0	0	0	0	107.9	M217	V213-M217 HydrophobicContact CG1-CB 3.14Å; V213-M217 HydrophobicContact CG1-CG 3.84Å
214	H	52.5	Low	63.5	Low	144 Å²	144	77.4 Å²	77.4	67%	0.667	43%	0.434	S	S	*	.			trans	-54.7	144.1	-178.6	-137.7	60.7	0	0	0	109.9	L212 G216 M217	L212-H214 PolarHBondContact O-N 2.9Å; L212-H214 VanDerWaalsContact O-N 3.11Å; H214-G216 PolarHBondContact O-N 2.82Å; H214-M217 PolarHBondContact O-N 3.01Å
215	N	48.4	Very low	62.6	Low	173 Å²	173	76.3 Å²	76.3	93%	0.925	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	110.5	176.6	-88.2	-14.6	0	0	0	109.5
216	G	55	Low	61.5	Low	63 Å²	63	81.9 Å²	81.9	65%	0.649	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	122.9	3.1	178.9	0	0	0	0	0	116.9	H214	H214-G216 PolarHBondContact O-N 2.82Å
217	M	62.8	Low	61.1	Low	24 Å²	24	85.9 Å²	85.9	12%	0.118	47%	0.47	C	S	.	.	P	Polyproline II helix	trans	-82.4	151.2	171.7	-118.4	77.1	-162.4	0	0	112.1	V213 H214 F230 Y232 H334	V213-M217 HydrophobicContact CG1-CB 3.14Å; V213-M217 HydrophobicContact CG1-CG 3.84Å; H214-M217 PolarHBondContact O-N 3.01Å; M217-F230 HydrophobicContact CG-CZ 4.39Å; M217-Y232 HydrophobicContact CE-CD2 3.37Å; M217-Y232 HydrophobicContact CE-CE2 4.01Å; M217-Y232 HydrophobicContact CE-CG 3.86Å; M217-H334 HydrophobicContact CE-CB 3.55Å; M217-H334 VanDerWaalsContact CE-CD2 3.41Å; M217-H334 WeakPolarHBondContact CE-CD2 3.37Å
218	P	62.1	Low	61.1	Low	12 Å²	12	85 Å²	85	8%	0.078	46%	0.461	C	S	.	.	P	Polyproline II helix	trans	-75.1	159.8	-176.9	32.4	-32.4	0	0	0	111.9	F230 Q265 W306 A336	P218-F230 HydrophobicContact CG-CE2 4.42Å; P218-F230 HydrophobicContact CG-CZ 4.34Å; P218-Q265 VanDerWaalsContact CB-OE1 3.3Å; P218-W306 HydrophobicContact CB-CZ2 4.25Å; P218-W306 HydrophobicContact CG-CH2 4.4Å; P218-W306 HydrophobicContact CG-CZ2 3.8Å; P218-A336 HydrophobicContact CG-CB 4.35Å
219	D	65.1	Low	62.3	Low	70 Å²	70	86.4 Å²	86.4	37%	0.374	46%	0.46	S	S	.	.	P	Polyproline II helix	trans	-71	148.5	161.2	-66.2	-19.6	0	0	0	108.2	R226 W306	D219-R226 WeakPolarHBondContact OD1-CG 3.3Å; D219-R226 IonicContact OD1-NE 3.14Å; D219-R226 PolarHBondContact OD1-NE 2.92Å; D219-R226 VanDerWaalsContact OD1-NE 3.14Å; D219-W306 PolarHBondContact O-NE1 2.85Å
220	D	64.5	Low	63.9	Low	0 Å²	0	83.7 Å²	83.7	0%	0	43%	0.431	C	S	.	.	P	Polyproline II helix	trans	-49.8	140	176.3	173.8	70.8	0	0	0	111.9	T222 Y223 H224 N225 H229 F230	D220-T222 WeakPolarHBondContact OD2-CB 3.43Å; D220-T222 PolarHBondContact OD2-N 3.46Å; D220-T222 VanDerWaalsContact OD2-N 3.16Å; D220-Y223 PolarHBondContact OD2-N 2.84Å; D220-H224 WeakPolarHBondContact O-CA 3.48Å; D220-H224 PolarHBondContact O-N 3.39Å; D220-N225 WeakPolarHBondContact CB-O 3.36Å; D220-N225 PolarHBondContact N-O 2.8Å; D220-H229 PolarHBondContact OD1-N 2.85Å; D220-F230 HydrophobicContact CB-CD1 4.28Å
221	H	75.1	Confident	66.1	Low	46 Å²	46	78 Å²	78	21%	0.213	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-42.2	-178.7	-172.9	-89.2	0	0	0	111.2	Y223 H224 W306 D338 D339	H221-Y223 PolarHBondContact O-N 2.86Å; H221-H224 AromaticContact CD2-CE1 3.88Å; H221-H224 AromaticContact NE2-CE1 3.89Å; H221-H224 PolarHBondContact O-CE1 3.01Å; H221-H224 PolarHBondContact O-N 3.25Å; H221-H224 PolarHBondContact O-ND1 2.87Å; H221-W306 HydrophobicContact CB-CD2 3.97Å; H221-W306 HydrophobicContact CB-CG 4.03Å; H221-W306 HydrophobicContact CB-CZ2 4.35Å; H221-W306 AromaticContact CD2-CD1 3.61Å; H221-W306 AromaticContact CD2-CG 3.6Å; H221-D338 HydrophobicContact CB-CB 4.29Å; H221-D338 VanDerWaalsContact CB-OD2 3.28Å; H221-D338 WeakPolarHBondContact CB-OD2 3.13Å; H221-D338 PolarHBondContact N-OD2 3.49Å; H221-D339 IonicContact CE1-OD2 3.82Å; H221-D339 IonicContact CG-OD2 3.63Å; H221-D339 IonicContact ND1-OD2 2.77Å; H221-D339 PolarHBondContact ND1-OD2 3.39Å
222	T	72	Confident	68	Low	43 Å²	43	71.3 Å²	71.3	26%	0.264	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54	-49	-176.4	-51.7	0	0	0	0	112.9	D184 E186 D220 D339	D184-T222 HydrophobicContact CB-CG2 4.26Å; E186-T222 HydrophobicContact CG-CG2 4.39Å; D220-T222 WeakPolarHBondContact OD2-CB 3.43Å; D220-T222 PolarHBondContact OD2-N 3.46Å; D220-T222 VanDerWaalsContact OD2-N 3.16Å; T222-D339 PolarHBondContact OG1-OD1 3.41Å; T222-D339 VanDerWaalsContact OG1-OD1 3.1Å
223	Y	67.4	Low	70.1	Confident	130 Å²	130	63.6 Å²	63.6	51%	0.51	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.1	-1.6	-177.9	-62.1	-66.6	0	0	0	114.2	E186 D220 H221 N225	E186-Y223 HydrophobicContact CG-CD2 4.41Å; E186-Y223 HydrophobicContact CG-CE2 3.61Å; E186-Y223 VanDerWaalsContact OE1-CD2 3.29Å; E186-Y223 WeakPolarHBondContact OE1-CD2 3.42Å; E186-Y223 VanDerWaalsContact OE1-CE2 3.29Å; E186-Y223 WeakPolarHBondContact OE1-CE2 3.45Å; D220-Y223 PolarHBondContact OD2-N 2.84Å; H221-Y223 PolarHBondContact O-N 2.86Å; Y223-N225 VanDerWaalsContact CB-ND2 3.34Å; Y223-N225 WeakPolarHBondContact CB-ND2 3.39Å; Y223-N225 PolarHBondContact O-N 3.06Å
224	H	67.8	Low	71.7	Confident	135 Å²	135	61.4 Å²	61.4	63%	0.625	31%	0.309	S	S	*	.	S	Bend	trans	50.5	40.1	-175.1	-63.2	-46	0	0	0	112.8	D220 H221	D220-H224 WeakPolarHBondContact O-CA 3.48Å; D220-H224 PolarHBondContact O-N 3.39Å; H221-H224 AromaticContact CD2-CE1 3.88Å; H221-H224 AromaticContact NE2-CE1 3.89Å; H221-H224 PolarHBondContact O-CE1 3.01Å; H221-H224 PolarHBondContact O-N 3.25Å; H221-H224 PolarHBondContact O-ND1 2.87Å
225	N	69.9	Low	73.2	Confident	52 Å²	52	54.8 Å²	54.8	28%	0.278	28%	0.279	S	S	.	.	S	Bend	trans	-148.3	176.6	-177	70.9	35.3	0	0	0	112.5	D220 Y223 T227 G228	D220-N225 WeakPolarHBondContact CB-O 3.36Å; D220-N225 PolarHBondContact N-O 2.8Å; Y223-N225 VanDerWaalsContact CB-ND2 3.34Å; Y223-N225 WeakPolarHBondContact CB-ND2 3.39Å; Y223-N225 PolarHBondContact O-N 3.06Å; N225-T227 VanDerWaalsContact C-N 3.28Å; N225-T227 PolarHBondContact ND2-OG1 3.27Å; N225-T227 VanDerWaalsContact ND2-OG1 3.12Å; N225-T227 PolarHBondContact O-N 2.92Å; N225-T227 WeakPolarHBondContact OD1-CA 3.35Å; N225-T227 PolarHBondContact OD1-N 3.25Å; N225-T227 PolarHBondContact OD1-OG1 3.22Å; N225-G228 PolarHBondContact OD1-N 2.93Å
226	R	64.9	Low	74.6	Confident	189 Å²	189	50 Å²	50	71%	0.713	26%	0.26	S	S	*	.	S	Bend	trans	-85.1	1.2	179.5	-65.3	-175.3	-179.3	-178.4	-1.1	114.7	G207 G208 G209 D219	G207-R226 CarbonylContact C-O 3.5Å; G208-R226 PolarHBondContact N-O 3.4Å; G209-R226 PolarHBondContact N-O 2.63Å; D219-R226 WeakPolarHBondContact OD1-CG 3.3Å; D219-R226 IonicContact OD1-NE 3.14Å; D219-R226 PolarHBondContact OD1-NE 2.92Å; D219-R226 VanDerWaalsContact OD1-NE 3.14Å
227	T	69.8	Low	75.4	Confident	87 Å²	87	53.1 Å²	53.1	53%	0.534	25%	0.253	S	S	.	.	S	Bend	trans	-102	-19.7	-174.4	51.8	0	0	0	0	113.3	N225	N225-T227 VanDerWaalsContact C-N 3.28Å; N225-T227 PolarHBondContact ND2-OG1 3.27Å; N225-T227 VanDerWaalsContact ND2-OG1 3.12Å; N225-T227 PolarHBondContact O-N 2.92Å; N225-T227 WeakPolarHBondContact OD1-CA 3.35Å; N225-T227 PolarHBondContact OD1-N 3.25Å; N225-T227 PolarHBondContact OD1-OG1 3.22Å
228	G	75.6	Confident	75.7	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	25%	0.25	C	C	.	.	S	Bend	trans	-71.2	175.5	166.9	0	0	0	0	0	112.7	E186 G207 G208 N225	E186-G228 WeakPolarHBondContact OE1-CA 3.42Å; G207-G228 CarbonylContact C-O 3.49Å; G207-G228 VanDerWaalsContact CA-O 3.24Å; G207-G228 WeakPolarHBondContact CA-O 3.21Å; G208-G228 PolarHBondContact N-O 3.37Å; N225-G228 PolarHBondContact OD1-N 2.93Å
229	H	86.1	Confident	76	Confident	57 Å²	57	59.7 Å²	59.7	26%	0.264	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	133.8	-173.4	-59.1	100	0	0	0	111.2	F185 E186 V205 G206 D220	F185-H229 WeakPolarHBondContact CB-O 3.19Å; F185-H229 WeakPolarHBondContact O-CB 3.21Å; E186-H229 VanDerWaalsContact CD-N 3.27Å; E186-H229 PolarHBondContact OE1-N 2.77Å; E186-H229 IonicContact OE2-CE1 2.88Å; E186-H229 IonicContact OE2-CG 3.86Å; E186-H229 PolarHBondContact OE2-N 2.86Å; E186-H229 IonicContact OE2-ND1 3.61Å; E186-H229 PolarHBondContact OE2-ND1 2.76Å; V205-H229 HydrophobicContact CG1-CB 4.06Å; G206-H229 WeakPolarHBondContact O-CA 3.18Å; D220-H229 PolarHBondContact OD1-N 2.85Å
230	F	89.3	Confident	76	Confident	4 Å²	4	60.1 Å²	60.1	2%	0.018	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	169.4	173.7	59.5	-88.3	0	0	0	109.9	V205 G206 M217 P218 D220 Y232 W306 A336 D338	V205-F230 CarbonylContact C-O 3.55Å; V205-F230 WeakPolarHBondContact CA-O 3.47Å; G206-F230 PolarHBondContact N-O 3.12Å; G206-F230 PolarHBondContact O-N 2.88Å; M217-F230 HydrophobicContact CG-CZ 4.39Å; P218-F230 HydrophobicContact CG-CE2 4.42Å; P218-F230 HydrophobicContact CG-CZ 4.34Å; D220-F230 HydrophobicContact CB-CD1 4.28Å; F230-Y232 HydrophobicContact CE2-CD1 4.17Å; F230-Y232 HydrophobicContact CE2-CG 4.39Å; F230-W306 HydrophobicContact CB-CH2 4.09Å; F230-W306 HydrophobicContact CB-CZ2 4.45Å; F230-W306 HydrophobicContact CD2-CH2 4.17Å; F230-W306 HydrophobicContact CG-CH2 4.15Å; F230-W306 HydrophobicContact CG-CZ2 4.29Å; F230-A336 HydrophobicContact CD2-CB 4.01Å; F230-A336 HydrophobicContact CE2-CB 4.08Å; F230-D338 HydrophobicContact CB-CB 3.96Å
231	M	91.6	Very high	75.9	Confident	2 Å²	2	67.3 Å²	67.3	1%	0.01	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	135.3	175.8	-65.5	-60.6	-59.8	0	0	111	F185 L190 W203 Y204 V205 L247 A336 L337	F185-M231 HydrophobicContact CD1-CG 3.45Å; F185-M231 VanDerWaalsContact CD1-CG 3.45Å; F185-M231 HydrophobicContact CD1-SD 4.19Å; F185-M231 HydrophobicContact CD2-CG 3.9Å; F185-M231 HydrophobicContact CE1-CG 3.39Å; F185-M231 HydrophobicContact CE1-SD 4.46Å; F185-M231 HydrophobicContact CE2-CB 4.24Å; F185-M231 HydrophobicContact CE2-CG 3.82Å; F185-M231 HydrophobicContact CG-CG 3.71Å; F185-M231 HydrophobicContact CZ-CB 4.23Å; F185-M231 HydrophobicContact CZ-CG 3.57Å; L190-M231 HydrophobicContact CD1-CE 4.42Å; L190-M231 HydrophobicContact CD1-SD 4.12Å; L190-M231 HydrophobicContact CD2-SD 4.1Å; W203-M231 HydrophobicContact CB-CE 3.6Å; W203-M231 HydrophobicContact CE3-CB 3.8Å; W203-M231 HydrophobicContact CZ3-CB 4.17Å; Y204-M231 CarbonylContact O-C 3.55Å; Y204-M231 WeakPolarHBondContact O-CA 3.45Å; V205-M231 HydrophobicContact CB-SD 4.48Å; V205-M231 HydrophobicContact CG2-SD 3.78Å; M231-L247 HydrophobicContact CB-CD2 4.1Å; M231-L247 HydrophobicContact CE-CD1 4.17Å; M231-L247 HydrophobicContact CG-CD2 3.95Å; M231-A336 CarbonylContact O-C 3.57Å; M231-A336 VanDerWaalsContact O-CA 3.31Å; M231-A336 WeakPolarHBondContact O-CA 3.49Å; M231-L337 PolarHBondContact N-O 3.12Å; M231-L337 PolarHBondContact O-N 2.83Å
232	Y	90.9	Very high	75.4	Confident	38 Å²	38	74.1 Å²	74.1	15%	0.149	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	161.1	174.9	79.5	-82.7	0	0	0	113.2	W203 Y204 M217 F230 D234 V335	W203-Y232 CarbonylContact C-O 3.56Å; W203-Y232 WeakPolarHBondContact CA-O 3.48Å; Y204-Y232 PolarHBondContact N-O 3.28Å; Y204-Y232 WeakPolarHBondContact O-CD1 3.23Å; Y204-Y232 PolarHBondContact O-N 3.01Å; M217-Y232 HydrophobicContact CE-CD2 3.37Å; M217-Y232 HydrophobicContact CE-CE2 4.01Å; M217-Y232 HydrophobicContact CE-CG 3.86Å; F230-Y232 HydrophobicContact CE2-CD1 4.17Å; F230-Y232 HydrophobicContact CE2-CG 4.39Å; Y232-D234 HydrophobicContact CE2-CB 4.41Å; Y232-V335 CarbonylContact C-O 3.46Å; Y232-V335 VanDerWaalsContact CA-O 3.25Å; Y232-V335 WeakPolarHBondContact CA-O 3.2Å
233	V	90.1	Very high	75.5	Confident	0 Å²	0	72.5 Å²	72.5	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	138.3	174.1	58.4	0	0	0	0	109.9	V201 N202 W203 A245 V325 F327 H334 V335	V201-V233 HydrophobicContact CG1-CG2 3.4Å; V201-V233 VanDerWaalsContact CG1-CG2 3.4Å; N202-V233 WeakPolarHBondContact O-CG2 3.23Å; W203-V233 HydrophobicContact CD2-CB 4.37Å; W203-V233 HydrophobicContact CD2-CG1 4.41Å; W203-V233 HydrophobicContact CE3-CB 4.42Å; W203-V233 HydrophobicContact CE3-CG1 4.36Å; W203-V233 HydrophobicContact CH2-CG1 4.43Å; W203-V233 HydrophobicContact CZ2-CG1 4.45Å; W203-V233 HydrophobicContact CZ3-CG1 4.37Å; V233-A245 HydrophobicContact CB-CB 4.46Å; V233-A245 HydrophobicContact CG2-CB 3.75Å; V233-V325 HydrophobicContact CG1-CB 3.77Å; V233-V325 HydrophobicContact CG1-CG1 3.89Å; V233-V325 HydrophobicContact CG1-CG2 3.71Å; V233-F327 HydrophobicContact CG1-CE2 4.37Å; V233-F327 HydrophobicContact CG1-CZ 4.13Å; V233-F327 HydrophobicContact CG2-CE2 3.57Å; V233-F327 HydrophobicContact CG2-CZ 3.89Å; V233-H334 CarbonylContact O-C 3.43Å; V233-H334 WeakPolarHBondContact O-CA 3.45Å; V233-H334 VanDerWaalsContact O-CB 3.25Å; V233-H334 WeakPolarHBondContact O-CB 3.46Å; V233-V335 HydrophobicContact CG1-CB 4Å; V233-V335 PolarHBondContact N-O 3.18Å; V233-V335 PolarHBondContact O-N 3.27Å
234	D	85.7	Confident	76.5	Confident	20 Å²	20	68.1 Å²	68.1	11%	0.107	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	138.1	-174.3	-167.1	-66.9	0	0	0	112	Y232 S236 H334	Y232-D234 HydrophobicContact CE2-CB 4.41Å; D234-S236 VanDerWaalsContact C-N 3.28Å; D234-S236 PolarHBondContact O-N 3.35Å; D234-S236 WeakPolarHBondContact OD1-CB 3.44Å; D234-S236 PolarHBondContact OD1-N 2.79Å; D234-S236 PolarHBondContact OD1-OG 2.9Å; D234-H334 HydrophobicContact CB-CB 4.27Å
235	S	83.6	Confident	77.7	Confident	5 Å²	5	61.7 Å²	61.7	4%	0.035	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-70.4	-14.3	179.9	63.7	0	0	0	0	115.3	Y237 A238 F327 P330 G332 G333	S235-Y237 PolarHBondContact O-N 2.92Å; S235-Y237 VanDerWaalsContact O-N 3.08Å; S235-A238 WeakPolarHBondContact O-CB 3.22Å; S235-A238 PolarHBondContact O-N 2.82Å; S235-F327 VanDerWaalsContact CB-CD1 3.41Å; S235-P330 PolarHBondContact OG-O 2.83Å; S235-G332 WeakPolarHBondContact OG-CA 3.31Å; S235-G332 PolarHBondContact OG-N 2.93Å; S235-G333 VanDerWaalsContact CB-O 3.25Å; S235-G333 WeakPolarHBondContact CB-O 3.38Å; S235-G333 PolarHBondContact N-O 2.96Å; S235-G333 PolarHBondContact OG-N 2.83Å; S235-G333 PolarHBondContact OG-O 2.81Å
236	S	76.7	Confident	78.8	Confident	74 Å²	74	61.3 Å²	61.3	52%	0.517	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-57.6	-24.1	179.8	52.3	0	0	0	0	113.3	D234	D234-S236 VanDerWaalsContact C-N 3.28Å; D234-S236 PolarHBondContact O-N 3.35Å; D234-S236 WeakPolarHBondContact OD1-CB 3.44Å; D234-S236 PolarHBondContact OD1-N 2.79Å; D234-S236 PolarHBondContact OD1-OG 2.9Å
237	Y	71.5	Confident	80.3	Confident	128 Å²	128	52.3 Å²	52.3	50%	0.502	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-93.6	-9.5	176.5	-55.2	-75.8	0	0	0	113.5	N200 S235 K239	N200-Y237 CarbonylContact O-C 3.43Å; N200-Y237 WeakPolarHBondContact O-CB 3.21Å; S235-Y237 PolarHBondContact O-N 2.92Å; S235-Y237 VanDerWaalsContact O-N 3.08Å; Y237-K239 PolarHBondContact O-N 2.73Å
238	A	69.6	Low	81.6	Confident	7 Å²	7	48.3 Å²	48.3	6%	0.058	23%	0.23	C	C	.	.			trans	-72.3	119.8	-179.4	0	0	0	0	0	111.3	V201 S235 E243 F327	V201-A238 HydrophobicContact CG2-CB 3.67Å; S235-A238 WeakPolarHBondContact O-CB 3.22Å; S235-A238 PolarHBondContact O-N 2.82Å; A238-E243 VanDerWaalsContact CA-OE2 3.24Å; A238-E243 WeakPolarHBondContact CA-OE2 3.45Å; A238-F327 HydrophobicContact CB-CB 4.24Å
239	K	68.3	Low	82.4	Confident	167 Å²	167	48.4 Å²	48.4	73%	0.726	23%	0.231	S	C	*	.			trans	-101.4	-24.6	-178.5	-68.8	-178.7	-176.9	169.3	0	112.8	Y237 E243	Y237-K239 PolarHBondContact O-N 2.73Å; K239-E243 PolarHBondContact N-OE2 3.12Å
240	T	65	Low	82.7	Confident	78 Å²	78	46.4 Å²	46.4	48%	0.479	22%	0.223	S	C	.	.	S	Bend	trans	-135.5	153.5	-178.4	70.4	0	0	0	0	112.8	K242 E243	T240-K242 PolarHBondContact O-N 3.47Å; T240-E243 WeakPolarHBondContact CB-OE1 3.31Å; T240-E243 PolarHBondContact N-OE1 2.86Å; T240-E243 PolarHBondContact N-OE2 2.67Å; T240-E243 PolarHBondContact O-N 2.81Å; T240-E243 VanDerWaalsContact OG1-CD 3.25Å; T240-E243 WeakPolarHBondContact OG1-CG 3.19Å; T240-E243 PolarHBondContact OG1-OE1 2.85Å
241	F	62.5	Low	82.7	Confident	151 Å²	151	48.5 Å²	48.5	66%	0.662	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70	16.5	-176.2	-61.7	-70.2	0	0	0	115.7	N328	F241-N328 WeakPolarHBondContact CD1-O 3.4Å; F241-N328 WeakPolarHBondContact CE1-O 3.49Å
242	K	64.3	Low	82.4	Confident	190 Å²	190	48.5 Å²	48.5	83%	0.826	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-136.9	14.6	-175.9	-65.3	-171	178.4	-175.6	0	113.3	T240	T240-K242 PolarHBondContact O-N 3.47Å
243	E	74.7	Confident	81.8	Confident	9 Å²	9	48 Å²	48	4%	0.042	23%	0.234	C	C	.	.			trans	-86.7	138.4	-177.7	-74.8	156.5	-162.1	0	0	111.2	N200 V201 A238 K239 T240 F327	N200-E243 HydrophobicContact CB-CG 4.02Å; N200-E243 WeakPolarHBondContact CB-OE2 3.23Å; N200-E243 PolarHBondContact ND2-OE1 3.48Å; V201-E243 HydrophobicContact CB-CB 4.43Å; V201-E243 HydrophobicContact CG2-CB 3.75Å; A238-E243 VanDerWaalsContact CA-OE2 3.24Å; A238-E243 WeakPolarHBondContact CA-OE2 3.45Å; K239-E243 PolarHBondContact N-OE2 3.12Å; T240-E243 WeakPolarHBondContact CB-OE1 3.31Å; T240-E243 PolarHBondContact N-OE1 2.86Å; T240-E243 PolarHBondContact N-OE2 2.67Å; T240-E243 PolarHBondContact O-N 2.81Å; T240-E243 VanDerWaalsContact OG1-CD 3.25Å; T240-E243 WeakPolarHBondContact OG1-CG 3.19Å; T240-E243 PolarHBondContact OG1-OE1 2.85Å; E243-F327 PolarHBondContact O-N 3.31Å
244	V	88.6	Confident	80.9	Confident	37 Å²	37	51.1 Å²	51.1	22%	0.224	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	128.5	-172.2	-179.9	0	0	0	0	108.5	N198 K246 E324 V325	N198-V244 PolarHBondContact ND2-O 2.76Å; V244-K246 HydrophobicContact CG1-CG 4.07Å; V244-E324 HydrophobicContact CG1-CG 3.13Å; V244-V325 WeakPolarHBondContact CA-O 3.5Å
245	A	92.3	Very high	80.5	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	136.2	168.8	0	0	0	0	0	109.7	V201 W203 V233 E324 V325	V201-A245 HydrophobicContact CG1-CB 3.96Å; W203-A245 PolarHBondContact NE1-O 3.4Å; V233-A245 HydrophobicContact CB-CB 4.46Å; V233-A245 HydrophobicContact CG2-CB 3.75Å; A245-E324 WeakPolarHBondContact O-CA 3.45Å; A245-V325 PolarHBondContact N-O 2.83Å; A245-V325 PolarHBondContact O-N 3.14Å
246	K	94.9	Very high	80.2	Confident	45 Å²	45	53.7 Å²	53.7	20%	0.196	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	121.2	179	-58.5	178.4	-171	-117.9	0	110.3	Q196 W203 V244 V248 Y285 V322 F323 E324	Q196-K246 HydrophobicContact CB-CB 4.18Å; Q196-K246 PolarHBondContact N-O 2.62Å; W203-K246 VanDerWaalsContact CD1-C 3.43Å; V244-K246 HydrophobicContact CG1-CG 4.07Å; K246-V248 HydrophobicContact CB-CG2 4.32Å; K246-Y285 PolarHBondContact NZ-OH 2.79Å; K246-V322 HydrophobicContact CB-CG1 4.15Å; K246-V322 HydrophobicContact CD-CG1 4.42Å; K246-V322 HydrophobicContact CG-CG1 4.35Å; K246-F323 WeakPolarHBondContact CA-O 3.48Å; K246-E324 WeakPolarHBondContact CE-OE2 3.41Å; K246-E324 HydrophobicContact CG-CG 4.18Å; K246-E324 IonicContact NZ-OE2 2.65Å; K246-E324 PolarHBondContact NZ-OE2 3.15Å
247	L	95.9	Very high	80.5	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	124.1	168.5	-176.6	67.8	0	0	0	107.2	F185 Y193 W203 M231 F323 L337	F185-L247 HydrophobicContact CE1-CD2 4.12Å; F185-L247 HydrophobicContact CZ-CD2 3.9Å; Y193-L247 HydrophobicContact CD1-CD1 4.46Å; Y193-L247 HydrophobicContact CD1-CD2 4.25Å; Y193-L247 HydrophobicContact CD1-CG 3.92Å; W203-L247 HydrophobicContact CB-CB 4.43Å; W203-L247 HydrophobicContact CB-CD1 4.46Å; W203-L247 VanDerWaalsContact CD1-N 3.3Å; W203-L247 HydrophobicContact CD2-CB 3.88Å; W203-L247 HydrophobicContact CD2-CD2 4.4Å; W203-L247 HydrophobicContact CE3-CD2 4.49Å; W203-L247 HydrophobicContact CG-CB 3.73Å; W203-L247 HydrophobicContact CZ2-CB 4.44Å; W203-L247 VanDerWaalsContact NE1-N 3.17Å; M231-L247 HydrophobicContact CB-CD2 4.1Å; M231-L247 HydrophobicContact CE-CD1 4.17Å; M231-L247 HydrophobicContact CG-CD2 3.95Å; L247-F323 HydrophobicContact CB-CB 4.26Å; L247-F323 PolarHBondContact N-O 3.4Å; L247-F323 PolarHBondContact O-N 2.71Å; L247-L337 HydrophobicContact CD2-CD2 4.02Å
248	V	95.5	Very high	81.2	Confident	3 Å²	3	46.8 Å²	46.8	2%	0.018	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	125.8	-168.1	-177.2	0	0	0	0	109.5	Y193 N194 Q196 K246 Q320 V322	Y193-V248 WeakPolarHBondContact CA-O 3.36Å; N194-V248 PolarHBondContact N-O 3.28Å; N194-V248 PolarHBondContact O-N 2.69Å; Q196-V248 HydrophobicContact CG-CG2 3.83Å; K246-V248 HydrophobicContact CB-CG2 4.32Å; V248-Q320 HydrophobicContact CG1-CB 3.92Å; V248-Q320 VanDerWaalsContact CG1-CD 3.45Å; V248-Q320 HydrophobicContact CG1-CG 4.2Å; V248-V322 HydrophobicContact CG1-CG2 4.21Å; V248-V322 HydrophobicContact CG2-CG1 4.13Å; V248-V322 HydrophobicContact CG2-CG2 4.15Å
249	S	94.4	Very high	82.2	Confident	2 Å²	2	46.7 Å²	46.7	1%	0.014	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-65.7	162.8	176.2	78.9	0	0	0	0	111.8	L181 Y193 Q320 V321	L181-S249 VanDerWaalsContact CD2-OG 3.3Å; L181-S249 WeakPolarHBondContact CD2-OG 3.31Å; Y193-S249 VanDerWaalsContact CE1-CA 3.44Å; Y193-S249 VanDerWaalsContact CE1-CB 3.46Å; S249-Q320 PolarHBondContact O-NE2 3.5Å; S249-V321 PolarHBondContact N-O 3.39Å; S249-V321 PolarHBondContact OG-N 2.01Å
250	P	91.2	Very high	83.4	Confident	15 Å²	15	38.8 Å²	38.8	10%	0.097	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-51.7	151.8	159.2	-22.4	32.7	0	0	0	111.3	S142 A252	S142-P250 WeakPolarHBondContact OG-CG 3.34Å; P250-A252 PolarHBondContact O-N 2.9Å
251	M	88.6	Confident	84.8	Confident	48 Å²	48	36.1 Å²	36.1	24%	0.236	19%	0.187	C	C	.	.	P	Polyproline II helix	trans	-70.2	120.9	172.6	179.7	69.6	67	0	0	108.5	T253 R281 P318 Q320	M251-T253 PolarHBondContact O-N 3.22Å; M251-R281 HydrophobicContact CE-CG 3.75Å; M251-R281 HydrophobicContact SD-CG 4.03Å; M251-P318 HydrophobicContact CG-CB 4.26Å; M251-P318 HydrophobicContact SD-CB 3.91Å; M251-Q320 HydrophobicContact CB-CG 4.19Å; M251-Q320 HydrophobicContact CE-CG 3.73Å; M251-Q320 HydrophobicContact SD-CG 4.05Å
252	A	87.1	Confident	86.4	Confident	2 Å²	2	29 Å²	29	2%	0.017	16%	0.155	C	C	.	.	P	Polyproline II helix	trans	-57.1	124.6	171.4	0	0	0	0	0	109.4	P250 M254 M256 P318 V319	P250-A252 PolarHBondContact O-N 2.9Å; A252-M254 PolarHBondContact O-N 3.45Å; A252-M256 HydrophobicContact CB-CE 3.27Å; A252-M256 HydrophobicContact CB-SD 4.12Å; A252-P318 WeakPolarHBondContact O-CA 3.32Å; A252-P318 WeakPolarHBondContact O-CB 3.32Å; A252-V319 WeakPolarHBondContact CB-O 3.11Å; A252-V319 PolarHBondContact N-O 3.46Å
253	T	77.2	Confident	87.7	Confident	26 Å²	26	21.5 Å²	21.5	16%	0.16	12%	0.123	C	C	.	.	S	Bend	trans	-81.2	-10.4	-178.7	55.3	0	0	0	0	112.2	V143 D144 M251	V143-T253 HydrophobicContact CG1-CG2 4.41Å; D144-T253 WeakPolarHBondContact CB-OG1 3.35Å; D144-T253 PolarHBondContact N-OG1 2.76Å; D144-T253 VanDerWaalsContact N-OG1 3.09Å; D144-T253 PolarHBondContact OD2-N 3.22Å; D144-T253 VanDerWaalsContact OD2-N 3.08Å; D144-T253 PolarHBondContact OD2-OG1 3.49Å; M251-T253 PolarHBondContact O-N 3.22Å
254	M	72.5	Confident	88.4	Confident	66 Å²	66	21.3 Å²	21.3	33%	0.325	12%	0.122	S	C	.	.	S	Bend	trans	-135.3	160.6	-179.4	-62.1	-162.6	71.9	0	0	112.5	H146 A252	H146-M254 HydrophobicContact CB-SD 4.04Å; A252-M254 PolarHBondContact O-N 3.45Å
255	P	75.8	Confident	88.3	Confident	74 Å²	74	20 Å²	20	48%	0.481	11%	0.114	S	C	.	.			trans	-59.3	136.2	169	-23.7	35.4	0	0	0	111.7	A315 P316	P255-A315 CarbonylContact C-O 3.59Å; P255-A315 WeakPolarHBondContact CA-O 3.1Å; P255-P316 WeakPolarHBondContact CB-O 3.45Å; P255-P316 WeakPolarHBondContact CG-O 3.28Å
256	M	77.6	Confident	87.8	Confident	6 Å²	6	22.3 Å²	22.3	3%	0.03	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	133.7	179	-60.3	-176.1	-53.3	0	0	109.8	Y179 L181 A252 L313 A315 F342	Y179-M256 HydrophobicContact CD1-SD 4.24Å; L181-M256 HydrophobicContact CD1-CE 3.21Å; L181-M256 HydrophobicContact CD1-SD 4.24Å; L181-M256 HydrophobicContact CG-CE 3.81Å; A252-M256 HydrophobicContact CB-CE 3.27Å; A252-M256 HydrophobicContact CB-SD 4.12Å; M256-L313 HydrophobicContact CE-CD2 4.42Å; M256-A315 PolarHBondContact N-O 3.31Å; M256-A315 CarbonylContact O-C 3.46Å; M256-A315 WeakPolarHBondContact O-CA 3.38Å; M256-A315 WeakPolarHBondContact O-CB 3.44Å; M256-A315 PolarHBondContact O-N 3.44Å; M256-F342 HydrophobicContact CB-CE1 4.38Å; M256-F342 HydrophobicContact CB-CZ 4Å
257	S	83.1	Confident	86.8	Confident	56 Å²	56	22.8 Å²	22.8	39%	0.392	13%	0.131	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	130.2	172.7	-66.4	0	0	0	0	109.2	L313	S257-L313 VanDerWaalsContact CA-O 3.26Å; S257-L313 WeakPolarHBondContact CA-O 3.48Å
258	G	86.8	Confident	85.4	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	160.8	-159.9	-173.9	0	0	0	0	0	112.2	D312 L313 S343	G258-D312 WeakPolarHBondContact O-CA 3.37Å; G258-L313 PolarHBondContact N-O 3.24Å; G258-L313 PolarHBondContact O-N 3.44Å; G258-S343 CarbonylContact C-O 3.5Å; G258-S343 WeakPolarHBondContact CA-O 3.39Å
259	C	90.3	Very high	83.6	Confident	6 Å²	6	30.6 Å²	30.6	4%	0.041	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	121.1	-178.6	-169.2	0	0	0	0	111.4	F342 S343 E345 C347	C259-F342 WeakPolarHBondContact O-CA 3.48Å; C259-F342 WeakPolarHBondContact O-CD2 3.47Å; C259-S343 PolarHBondContact N-O 2.94Å; C259-S343 PolarHBondContact O-N 2.83Å; C259-E345 WeakPolarHBondContact CB-O 3.47Å; C259-E345 PolarHBondContact N-O 2.86Å; C259-C347 WeakPolarHBondContact CA-SG 3.38Å; C259-C347 HydrophobicContact CB-CB 3.95Å; C259-C347 WeakPolarHBondContact CB-SG 2.88Å; C259-C347 WeakPolarHBondContact SG-CA 3.32Å; C259-C347 WeakPolarHBondContact SG-CB 3.17Å; C259-C347 CovalentContact SG-SG 2.03Å; C259-C347 PolarHBondContact SG-SG 2.67Å
260	L	94.1	Very high	82.1	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	125	164.7	177.7	70.8	0	0	0	108.4	F262 Q310 V311 L313 V321 I340	L260-F262 HydrophobicContact CG-CD1 4.45Å; L260-Q310 WeakPolarHBondContact O-CA 3.34Å; L260-V311 HydrophobicContact CB-CG1 4.05Å; L260-V311 HydrophobicContact CD2-CG1 4.15Å; L260-V311 HydrophobicContact CG-CG1 4.41Å; L260-V311 PolarHBondContact N-O 3.19Å; L260-V311 PolarHBondContact O-N 3.46Å; L260-L313 HydrophobicContact CB-CB 4.24Å; L260-V321 HydrophobicContact CD2-CG1 3.93Å; L260-V321 HydrophobicContact CD2-CG2 4.38Å; L260-I340 HydrophobicContact CD1-CG2 3.99Å
261	S	94.2	Very high	81.3	Confident	23 Å²	23	40.3 Å²	40.3	16%	0.161	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	145.6	175.7	39.9	0	0	0	0	112.1	V309 I340 S341	S261-V309 WeakPolarHBondContact CA-O 3.4Å; S261-V309 WeakPolarHBondContact CB-O 3.32Å; S261-I340 WeakPolarHBondContact O-CA 3.43Å; S261-S341 PolarHBondContact N-O 2.88Å; S261-S341 PolarHBondContact O-N 3.48Å; S261-S341 PolarHBondContact O-OG 2.63Å; S261-S341 PolarHBondContact OG-O 2.85Å; S261-S341 PolarHBondContact OG-OG 2.69Å
262	F	95.2	Very high	81	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	159.5	175.7	57.6	-89.5	0	0	0	110.5	L260 Y264 F274 V276 W289 V309 V311 F323 L337 D339 I340	L260-F262 HydrophobicContact CG-CD1 4.45Å; F262-Y264 HydrophobicContact CE2-CD1 4.22Å; F262-F274 AromaticContact CE2-CE1 3.9Å; F262-F274 HydrophobicContact CE2-CE1 3.9Å; F262-F274 HydrophobicContact CE2-CZ 4.21Å; F262-V276 HydrophobicContact CE1-CG2 4.21Å; F262-V276 HydrophobicContact CZ-CG2 3.84Å; F262-W289 HydrophobicContact CE2-CZ3 4.37Å; F262-W289 HydrophobicContact CZ-CD2 4.35Å; F262-W289 AromaticContact CZ-CE3 3.96Å; F262-W289 HydrophobicContact CZ-CE3 3.96Å; F262-W289 HydrophobicContact CZ-CZ3 4.14Å; F262-V309 HydrophobicContact CD1-CB 4.27Å; F262-V309 HydrophobicContact CD1-CG1 4.39Å; F262-V309 HydrophobicContact CD2-CB 4.08Å; F262-V309 HydrophobicContact CD2-CG2 4.38Å; F262-V309 HydrophobicContact CE1-CB 3.87Å; F262-V309 HydrophobicContact CE1-CG1 3.6Å; F262-V309 HydrophobicContact CE2-CB 3.66Å; F262-V309 HydrophobicContact CE2-CG1 4.06Å; F262-V309 HydrophobicContact CE2-CG2 3.73Å; F262-V309 HydrophobicContact CG-CB 4.38Å; F262-V309 HydrophobicContact CZ-CB 3.55Å; F262-V309 HydrophobicContact CZ-CG1 3.41Å; F262-V309 VanDerWaalsContact CZ-CG1 3.41Å; F262-V309 HydrophobicContact CZ-CG2 3.93Å; F262-V309 PolarHBondContact N-O 2.78Å; F262-V309 VanDerWaalsContact N-O 3.15Å; F262-V309 PolarHBondContact O-N 3.5Å; F262-V311 HydrophobicContact CE1-CG1 4.45Å; F262-F323 AromaticContact CD1-CE1 3.97Å; F262-F323 HydrophobicContact CD1-CE1 3.97Å; F262-F323 HydrophobicContact CD1-CZ 4.45Å; F262-F323 HydrophobicContact CD2-CE1 4.36Å; F262-F323 HydrophobicContact CE1-CE1 4.12Å; F262-F323 HydrophobicContact CE2-CE1 4.5Å; F262-F323 HydrophobicContact CG-CE1 4.09Å; F262-F323 HydrophobicContact CZ-CE1 4.37Å; F262-L337 HydrophobicContact CB-CD1 3.89Å; F262-L337 HydrophobicContact CD2-CD1 3.53Å; F262-L337 HydrophobicContact CE2-CD1 4.36Å; F262-L337 HydrophobicContact CG-CD1 3.96Å; F262-D339 WeakPolarHBondContact CA-O 3Å; F262-I340 HydrophobicContact CB-CG1 4.15Å
263	Q	91.3	Very high	81	Confident	34 Å²	34	41.7 Å²	41.7	16%	0.159	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	134.8	172.1	-58.1	-59.9	-29.2	0	0	109.1	W306 L337 D338 D339	Q263-W306 HydrophobicContact CB-CB 4.35Å; Q263-W306 HydrophobicContact CB-CD2 4.3Å; Q263-W306 HydrophobicContact CB-CE3 3.7Å; Q263-W306 HydrophobicContact CB-CZ3 4.35Å; Q263-L337 WeakPolarHBondContact O-CA 3.17Å; Q263-D338 HydrophobicContact CB-CB 4.49Å; Q263-D338 PolarHBondContact N-O 2.61Å; Q263-D338 PolarHBondContact O-N 3.47Å; Q263-D339 HydrophobicContact CG-CB 3.9Å
264	Y	90.7	Very high	81.7	Confident	4 Å²	4	40.4 Å²	40.4	2%	0.016	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	158.2	171.2	84	-76.1	0	0	0	112.3	F262 R266 F274 W289 D298 I307 V309 A336	F262-Y264 HydrophobicContact CE2-CD1 4.22Å; Y264-R266 HydrophobicContact CD2-CB 4.27Å; Y264-R266 HydrophobicContact CE2-CB 4.04Å; Y264-F274 AromaticContact CD2-CD1 3.9Å; Y264-F274 HydrophobicContact CD2-CD1 3.9Å; Y264-F274 HydrophobicContact CD2-CE1 4.11Å; Y264-F274 HydrophobicContact CE2-CD1 4.48Å; Y264-F274 HydrophobicContact CG-CD1 4.19Å; Y264-F274 AromaticContact CG-CE1 3.93Å; Y264-F274 HydrophobicContact CG-CE1 3.93Å; Y264-W289 HydrophobicContact CD1-CH2 4.27Å; Y264-W289 AromaticContact CE1-CH2 3.76Å; Y264-W289 HydrophobicContact CE1-CH2 3.76Å; Y264-W289 HydrophobicContact CE1-CZ2 4.08Å; Y264-W289 HydrophobicContact CE2-CH2 4.32Å; Y264-W289 AromaticContact CZ-CH2 3.79Å; Y264-D298 PolarHBondContact OH-OD2 3.39Å; Y264-I307 HydrophobicContact CD1-CB 4Å; Y264-I307 HydrophobicContact CD1-CG2 4.31Å; Y264-I307 WeakPolarHBondContact CD1-O 3.21Å; Y264-I307 HydrophobicContact CE1-CB 3.65Å; Y264-I307 HydrophobicContact CE1-CD1 4.47Å; Y264-I307 HydrophobicContact CE1-CG2 3.56Å; Y264-I307 HydrophobicContact CE2-CD1 4.31Å; Y264-I307 PolarHBondContact N-O 2.76Å; Y264-I307 WeakPolarHBondContact O-CB 3.48Å; Y264-I307 PolarHBondContact O-N 2.78Å; Y264-V309 HydrophobicContact CD1-CG2 3.37Å; Y264-V309 HydrophobicContact CE1-CG2 3.25Å; Y264-A336 CarbonylContact C-O 3.52Å; Y264-A336 WeakPolarHBondContact CA-O 3.19Å; Y264-A336 WeakPolarHBondContact CB-O 3.29Å
265	Q	85.6	Confident	82.7	Confident	11 Å²	11	37.3 Å²	37.3	5%	0.051	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	147.1	169.1	177.5	168.2	98.3	0	0	109.9	P218 G304 E305 W306 V335 A336	P218-Q265 VanDerWaalsContact CB-OE1 3.3Å; Q265-G304 PolarHBondContact NE2-O 3.35Å; Q265-E305 PolarHBondContact NE2-O 3.33Å; Q265-W306 HydrophobicContact CB-CE3 4.35Å; Q265-V335 CarbonylContact O-C 3.58Å; Q265-V335 VanDerWaalsContact O-CA 3.27Å; Q265-V335 WeakPolarHBondContact O-CA 3.29Å; Q265-A336 HydrophobicContact CB-CB 4.28Å; Q265-A336 PolarHBondContact N-O 3.09Å; Q265-A336 PolarHBondContact O-N 3.03Å
266	R	82.6	Confident	83.7	Confident	48 Å²	48	33.8 Å²	33.8	18%	0.181	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	123.9	-178.2	-175.3	175.4	174.7	-145	-3.6	110.1	Y264 E268 E269 N272 V335	Y264-R266 HydrophobicContact CD2-CB 4.27Å; Y264-R266 HydrophobicContact CE2-CB 4.04Å; R266-E268 PolarHBondContact NE-O 3.03Å; R266-E269 PolarHBondContact NH2-O 2.87Å; R266-N272 WeakPolarHBondContact CD-OD1 3.34Å; R266-N272 PolarHBondContact NE-OD1 2.81Å; R266-N272 PolarHBondContact NH2-O 3.43Å; R266-V335 HydrophobicContact CG-CG2 4.34Å
267	S	73.6	Confident	84.5	Confident	54 Å²	54	34.9 Å²	34.9	38%	0.378	17%	0.169	S	C	.	.	S	Bend	trans	-83.9	-25.7	-172	80.3	0	0	0	0	114.4	G333 H334	S267-G333 WeakPolarHBondContact OG-CA 3.18Å; S267-H334 VanDerWaalsContact CB-CE1 3.45Å; S267-H334 WeakPolarHBondContact CB-CE1 3.29Å; S267-H334 PolarHBondContact N-O 2.95Å; S267-H334 PolarHBondContact OG-N 3.49Å
268	E	66.9	Low	85	Confident	97 Å²	97	32.5 Å²	32.5	45%	0.453	15%	0.152	S	C	.	.			trans	-144	136.5	-178	-66.6	-167.6	-174.8	0	0	113.1	R266 N272	R266-E268 PolarHBondContact NE-O 3.03Å; E268-N272 PolarHBondContact O-ND2 2.91Å
269	E	57.3	Low	85.2	Confident	71 Å²	71	35.9 Å²	35.9	33%	0.332	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-27.6	-173.7	-164.8	-157.8	122	0	0	114.1	R266 P293	R266-E269 PolarHBondContact NH2-O 2.87Å; E269-P293 VanDerWaalsContact CD-O 3.23Å; E269-P293 WeakPolarHBondContact CG-O 3.22Å; E269-P293 VanDerWaalsContact OE1-O 3.12Å
270	R	63	Low	84.9	Confident	216 Å²	216	36.3 Å²	36.3	82%	0.815	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-116.5	3.8	-170.3	-64.4	-174.6	-178.2	-173.2	-0.5	114.8
271	G	72.9	Confident	84.3	Confident	4 Å²	4	44.6 Å²	44.6	4%	0.041	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104	-27.2	-173.3	0	0	0	0	0	115.5	N328 G332	G271-N328 PolarHBondContact O-N 2.87Å; G271-G332 CarbonylContact C-O 3.37Å
272	N	83.1	Confident	83.5	Confident	4 Å²	4	50.5 Å²	50.5	2%	0.021	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	157.4	-177	63.7	67.3	0	0	0	111.5	R266 E268 V325 G326 F327 G332 V335	R266-N272 WeakPolarHBondContact CD-OD1 3.34Å; R266-N272 PolarHBondContact NE-OD1 2.81Å; R266-N272 PolarHBondContact NH2-O 3.43Å; E268-N272 PolarHBondContact O-ND2 2.91Å; N272-V325 HydrophobicContact CB-CG1 4.28Å; N272-G326 CarbonylContact C-O 3.58Å; N272-G326 VanDerWaalsContact CA-O 3.28Å; N272-G326 WeakPolarHBondContact CA-O 3.44Å; N272-F327 HydrophobicContact CB-CD1 3.62Å; N272-F327 HydrophobicContact CB-CE1 3.61Å; N272-F327 HydrophobicContact CB-CZ 4.5Å; N272-G332 PolarHBondContact ND2-O 3.04Å; N272-V335 HydrophobicContact CB-CG2 4.49Å
273	M	87.6	Confident	83	Confident	75 Å²	75	51.7 Å²	51.7	37%	0.369	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	111.9	174.8	-177.6	179	76.8	0	0	108.5	V325 G326	M273-V325 WeakPolarHBondContact O-CA 3.31Å; M273-G326 PolarHBondContact N-O 2.74Å; M273-G326 PolarHBondContact O-N 3.46Å
274	F	91.3	Very high	82.6	Confident	0 Å²	0	55 Å²	55	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	120	175.6	-178.6	-145.7	0	0	0	109.9	W203 F262 Y264 V276 W289 A291 F323 E324 V325 V335 L337	W203-F274 HydrophobicContact CH2-CE2 4.19Å; W203-F274 HydrophobicContact CZ2-CE2 4.24Å; F262-F274 AromaticContact CE2-CE1 3.9Å; F262-F274 HydrophobicContact CE2-CE1 3.9Å; F262-F274 HydrophobicContact CE2-CZ 4.21Å; Y264-F274 AromaticContact CD2-CD1 3.9Å; Y264-F274 HydrophobicContact CD2-CD1 3.9Å; Y264-F274 HydrophobicContact CD2-CE1 4.11Å; Y264-F274 HydrophobicContact CE2-CD1 4.48Å; Y264-F274 HydrophobicContact CG-CD1 4.19Å; Y264-F274 AromaticContact CG-CE1 3.93Å; Y264-F274 HydrophobicContact CG-CE1 3.93Å; F274-V276 HydrophobicContact CE2-CG2 4.38Å; F274-V276 HydrophobicContact CZ-CG2 4.29Å; F274-W289 HydrophobicContact CD1-CH2 4.25Å; F274-W289 AromaticContact CD1-CZ3 3.72Å; F274-W289 HydrophobicContact CD1-CZ3 3.72Å; F274-W289 AromaticContact CE1-CZ3 3.96Å; F274-W289 HydrophobicContact CE1-CZ3 3.96Å; F274-W289 HydrophobicContact CG-CZ3 4.39Å; F274-A291 HydrophobicContact CB-CB 4.26Å; F274-A291 PolarHBondContact O-N 2.92Å; F274-F323 HydrophobicContact CE2-CB 4.1Å; F274-F323 HydrophobicContact CE2-CD1 4.07Å; F274-F323 AromaticContact CZ-CD1 3.84Å; F274-F323 HydrophobicContact CZ-CD1 3.84Å; F274-E324 WeakPolarHBondContact CA-O 3.48Å; F274-E324 WeakPolarHBondContact CD2-O 3.42Å; F274-V325 HydrophobicContact CB-CG2 4.31Å; F274-V325 HydrophobicContact CD2-CG2 3.5Å; F274-V325 HydrophobicContact CE2-CG2 4.15Å; F274-V325 HydrophobicContact CG-CG2 4.18Å; F274-V335 HydrophobicContact CB-CG1 4.36Å; F274-V335 HydrophobicContact CB-CG2 4.4Å; F274-V335 HydrophobicContact CD1-CG1 3.96Å; F274-V335 HydrophobicContact CD2-CG1 4.31Å; F274-V335 HydrophobicContact CE1-CG1 4.28Å; F274-V335 HydrophobicContact CG-CG1 3.97Å; F274-L337 HydrophobicContact CZ-CD1 4.34Å
275	T	93.9	Very high	82.5	Confident	1 Å²	1	58.5 Å²	58.5	1%	0.006	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	142.3	-177.1	-44.2	0	0	0	0	109.6	F277 E287 W289 R290 E324	T275-F277 HydrophobicContact CG2-CD1 4.48Å; T275-F277 HydrophobicContact CG2-CD2 4.18Å; T275-F277 HydrophobicContact CG2-CE1 3.83Å; T275-F277 HydrophobicContact CG2-CE2 3.52Å; T275-F277 HydrophobicContact CG2-CZ 3.3Å; T275-E287 HydrophobicContact CG2-CG 3.84Å; T275-W289 WeakPolarHBondContact CG2-O 3.22Å; T275-R290 HydrophobicContact CG2-CB 4.16Å; T275-R290 HydrophobicContact CG2-CG 4.35Å; T275-E324 PolarHBondContact N-O 2.9Å; T275-E324 PolarHBondContact O-N 3.07Å
276	V	96.1	Very high	82.6	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	129.8	176.5	-175.7	0	0	0	0	108.4	F262 F274 L288 W289 V321 V322 F323	F262-V276 HydrophobicContact CE1-CG2 4.21Å; F262-V276 HydrophobicContact CZ-CG2 3.84Å; F274-V276 HydrophobicContact CE2-CG2 4.38Å; F274-V276 HydrophobicContact CZ-CG2 4.29Å; V276-L288 HydrophobicContact CG1-CB 4.45Å; V276-L288 HydrophobicContact CG1-CD1 4.15Å; V276-L288 WeakPolarHBondContact O-CB 3.07Å; V276-L288 PolarHBondContact O-N 2.77Å; V276-W289 HydrophobicContact CB-CB 4.43Å; V276-W289 HydrophobicContact CG2-CE3 3.98Å; V276-W289 PolarHBondContact N-O 3.43Å; V276-W289 PolarHBondContact O-N 2.95Å; V276-V321 HydrophobicContact CG1-CG1 3.65Å; V276-V322 WeakPolarHBondContact CA-O 3.43Å; V276-F323 HydrophobicContact CG1-CD1 4.31Å; V276-F323 HydrophobicContact CG1-CE1 4.19Å; V276-F323 HydrophobicContact CG2-CD1 3.64Å; V276-F323 HydrophobicContact CG2-CE1 3.87Å
277	F	95.1	Very high	83	Confident	28 Å²	28	65.1 Å²	65.1	12%	0.123	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	153.2	-179.7	-59.3	-86.4	0	0	0	111.2	T275 Y285 Q286 E287 V321 V322 E324	T275-F277 HydrophobicContact CG2-CD1 4.48Å; T275-F277 HydrophobicContact CG2-CD2 4.18Å; T275-F277 HydrophobicContact CG2-CE1 3.83Å; T275-F277 HydrophobicContact CG2-CE2 3.52Å; T275-F277 HydrophobicContact CG2-CZ 3.3Å; F277-Y285 HydrophobicContact CB-CD1 3.77Å; F277-Y285 HydrophobicContact CD1-CD1 4.41Å; F277-Y285 HydrophobicContact CD2-CD1 4.37Å; F277-Y285 AromaticContact CG-CD1 3.96Å; F277-Y285 HydrophobicContact CG-CD1 3.96Å; F277-Q286 CarbonylContact C-O 3.59Å; F277-Q286 WeakPolarHBondContact CA-O 3.24Å; F277-Q286 WeakPolarHBondContact CB-O 3.29Å; F277-E287 HydrophobicContact CD1-CB 3.96Å; F277-E287 HydrophobicContact CD1-CG 4.46Å; F277-E287 HydrophobicContact CE1-CB 3.86Å; F277-E287 HydrophobicContact CE1-CG 4.15Å; F277-V321 CarbonylContact O-C 3.6Å; F277-V321 WeakPolarHBondContact O-CA 3.31Å; F277-V322 HydrophobicContact CB-CB 4.38Å; F277-V322 PolarHBondContact N-O 3.17Å; F277-V322 PolarHBondContact O-N 3.38Å; F277-E324 HydrophobicContact CD2-CB 4.02Å; F277-E324 HydrophobicContact CE2-CB 3.87Å; F277-E324 HydrophobicContact CE2-CG 4.33Å
278	T	92.6	Very high	83.8	Confident	7 Å²	7	64.2 Å²	64.2	4%	0.043	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	140.8	153.1	53.7	0	0	0	0	110.1	Y285 Q286 L288 L313 V319 Q320	T278-Y285 CarbonylContact O-C 3.57Å; T278-Y285 WeakPolarHBondContact O-CA 3.24Å; T278-Q286 PolarHBondContact N-O 2.77Å; T278-Q286 PolarHBondContact O-N 3.42Å; T278-L288 HydrophobicContact CG2-CD1 3.54Å; T278-L288 HydrophobicContact CG2-CD2 3.83Å; T278-L288 HydrophobicContact CG2-CG 3.75Å; T278-L313 HydrophobicContact CG2-CD1 3.53Å; T278-V319 HydrophobicContact CG2-CB 4.48Å; T278-V319 HydrophobicContact CG2-CG2 4.01Å; T278-Q320 CarbonylContact C-O 3.58Å; T278-Q320 VanDerWaalsContact CA-O 3.28Å; T278-Q320 WeakPolarHBondContact CA-O 3.49Å
279	R	91.3	Very high	85	Confident	70 Å²	70	62 Å²	62	26%	0.264	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	123.7	170.6	-175.3	-170.9	178.4	-174	-2.4	110.2	Q196 Q284 Y285 V319 Q320 V322	Q196-R279 VanDerWaalsContact NE2-NH1 3.18Å; R279-Q284 WeakPolarHBondContact CA-O 3.17Å; R279-Y285 HydrophobicContact CB-CD1 4.49Å; R279-Y285 HydrophobicContact CB-CE1 4.34Å; R279-Y285 HydrophobicContact CG-CD2 4.29Å; R279-Y285 HydrophobicContact CG-CE1 4.49Å; R279-Y285 HydrophobicContact CG-CE2 3.96Å; R279-V319 CarbonylContact O-C 3.56Å; R279-V319 WeakPolarHBondContact O-CA 3.23Å; R279-Q320 PolarHBondContact N-O 3.09Å; R279-Q320 PolarHBondContact O-N 2.79Å; R279-V322 HydrophobicContact CB-CG2 3.86Å
280	D	84.2	Confident	86.6	Confident	15 Å²	15	63.8 Å²	63.8	8%	0.08	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	178.3	176.4	72.6	13.9	0	0	0	113.1	L282 G283 Q284 Y317 V319	D280-L282 PolarHBondContact O-N 3.05Å; D280-L282 WeakPolarHBondContact OD1-CA 3.25Å; D280-L282 WeakPolarHBondContact OD1-CB 3.32Å; D280-L282 PolarHBondContact OD1-N 2.74Å; D280-G283 PolarHBondContact O-N 3.16Å; D280-G283 PolarHBondContact OD1-N 3.14Å; D280-Q284 PolarHBondContact N-O 2.88Å; D280-Q284 VanDerWaalsContact N-O 3.12Å; D280-Q284 PolarHBondContact OD1-N 2.03Å; D280-Q284 WeakPolarHBondContact OD2-CB 3.26Å; D280-Y317 HydrophobicContact CB-CD2 4.38Å; D280-Y317 HydrophobicContact CB-CE2 4.06Å; D280-V319 HydrophobicContact CB-CG1 4.46Å
281	R	81.3	Confident	87.7	Confident	174 Å²	174	53.9 Å²	53.9	66%	0.657	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-22.6	177.2	-68.9	-175.1	177.1	-170.8	1.2	114.2	M251 G283 P318	M251-R281 HydrophobicContact CE-CG 3.75Å; M251-R281 HydrophobicContact SD-CG 4.03Å; R281-G283 VanDerWaalsContact C-N 3.3Å; R281-P318 HydrophobicContact CG-CB 4.45Å
282	L	78.7	Confident	87.8	Confident	148 Å²	148	58.9 Å²	58.9	78%	0.775	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-7.8	175.9	-60.8	177.4	0	0	0	111.9	D280	D280-L282 PolarHBondContact O-N 3.05Å; D280-L282 WeakPolarHBondContact OD1-CA 3.25Å; D280-L282 WeakPolarHBondContact OD1-CB 3.32Å; D280-L282 PolarHBondContact OD1-N 2.74Å
283	G	83.6	Confident	86.6	Confident	25 Å²	25	62.8 Å²	62.8	26%	0.258	30%	0.295	S	S	.	.			trans	84.3	16.3	-178.5	0	0	0	0	0	114.3	D280 R281 Y285	D280-G283 PolarHBondContact O-N 3.16Å; D280-G283 PolarHBondContact OD1-N 3.14Å; R281-G283 VanDerWaalsContact C-N 3.3Å; G283-Y285 VanDerWaalsContact O-CD2 3.3Å; G283-Y285 WeakPolarHBondContact O-CD2 3.47Å
284	Q	83.1	Confident	85	Confident	102 Å²	102	66 Å²	66	48%	0.477	31%	0.314	S	S	.	.			trans	-75.4	131.9	173.4	-172	171.7	12.1	0	0	110.1	R279 D280	R279-Q284 WeakPolarHBondContact CA-O 3.17Å; D280-Q284 PolarHBondContact N-O 2.88Å; D280-Q284 VanDerWaalsContact N-O 3.12Å; D280-Q284 PolarHBondContact OD1-N 2.03Å; D280-Q284 WeakPolarHBondContact OD2-CB 3.26Å
285	Y	89.1	Confident	82.9	Confident	79 Å²	79	69.8 Å²	69.8	31%	0.31	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	140.2	177.9	-74.6	-107.5	0	0	0	110.9	K246 F277 T278 R279 G283 V322	K246-Y285 PolarHBondContact NZ-OH 2.79Å; F277-Y285 HydrophobicContact CB-CD1 3.77Å; F277-Y285 HydrophobicContact CD1-CD1 4.41Å; F277-Y285 HydrophobicContact CD2-CD1 4.37Å; F277-Y285 AromaticContact CG-CD1 3.96Å; F277-Y285 HydrophobicContact CG-CD1 3.96Å; T278-Y285 CarbonylContact O-C 3.57Å; T278-Y285 WeakPolarHBondContact O-CA 3.24Å; R279-Y285 HydrophobicContact CB-CD1 4.49Å; R279-Y285 HydrophobicContact CB-CE1 4.34Å; R279-Y285 HydrophobicContact CG-CD2 4.29Å; R279-Y285 HydrophobicContact CG-CE1 4.49Å; R279-Y285 HydrophobicContact CG-CE2 3.96Å; G283-Y285 VanDerWaalsContact O-CD2 3.3Å; G283-Y285 WeakPolarHBondContact O-CD2 3.47Å; Y285-V322 HydrophobicContact CE1-CB 4.35Å; Y285-V322 HydrophobicContact CE1-CG1 4.23Å; Y285-V322 HydrophobicContact CE1-CG2 4.16Å
286	Q	87.3	Confident	80.7	Confident	109 Å²	109	80.2 Å²	80.2	51%	0.509	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	129.8	168.4	173.4	176.7	5.1	0	0	108.7	F277 T278 L288	F277-Q286 CarbonylContact C-O 3.59Å; F277-Q286 WeakPolarHBondContact CA-O 3.24Å; F277-Q286 WeakPolarHBondContact CB-O 3.29Å; T278-Q286 PolarHBondContact N-O 2.77Å; T278-Q286 PolarHBondContact O-N 3.42Å; Q286-L288 PolarHBondContact O-N 3.39Å
287	E	91.3	Very high	78.4	Confident	88 Å²	88	85.4 Å²	85.4	41%	0.411	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	126.2	179.1	-172.9	169.4	144.2	0	0	109.9	T275 F277 R290	T275-E287 HydrophobicContact CG2-CG 3.84Å; F277-E287 HydrophobicContact CD1-CB 3.96Å; F277-E287 HydrophobicContact CD1-CG 4.46Å; F277-E287 HydrophobicContact CE1-CB 3.86Å; F277-E287 HydrophobicContact CE1-CG 4.15Å; E287-R290 IonicContact OE1-CZ 3.47Å; E287-R290 IonicContact OE1-NE 2.91Å; E287-R290 PolarHBondContact OE1-NE 2.83Å; E287-R290 IonicContact OE1-NH2 3.27Å; E287-R290 PolarHBondContact OE1-NH2 2.98Å; E287-R290 IonicContact OE2-CZ 3.63Å; E287-R290 IonicContact OE2-NE 3.73Å; E287-R290 IonicContact OE2-NH2 2.71Å; E287-R290 PolarHBondContact OE2-NH2 2.81Å
288	L	89.6	Confident	76.1	Confident	36 Å²	36	86.2 Å²	86.2	19%	0.188	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	-48.6	173.8	-74	175.7	0	0	0	110.8	V276 T278 Q286 V311 L313	V276-L288 HydrophobicContact CG1-CB 4.45Å; V276-L288 HydrophobicContact CG1-CD1 4.15Å; V276-L288 WeakPolarHBondContact O-CB 3.07Å; V276-L288 PolarHBondContact O-N 2.77Å; T278-L288 HydrophobicContact CG2-CD1 3.54Å; T278-L288 HydrophobicContact CG2-CD2 3.83Å; T278-L288 HydrophobicContact CG2-CG 3.75Å; Q286-L288 PolarHBondContact O-N 3.39Å; L288-V311 HydrophobicContact CB-CG2 4.38Å; L288-V311 WeakPolarHBondContact O-CG2 3.07Å; L288-L313 HydrophobicContact CD1-CD1 3.79Å; L288-L313 HydrophobicContact CD2-CD1 4.06Å
289	W	92.8	Very high	74	Confident	51 Å²	51	93.1 Å²	93.1	19%	0.193	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	152.9	-173.7	179.2	89.9	0	0	0	110.6	F262 Y264 F274 T275 V276 A291 V309 V311	F262-W289 HydrophobicContact CE2-CZ3 4.37Å; F262-W289 HydrophobicContact CZ-CD2 4.35Å; F262-W289 AromaticContact CZ-CE3 3.96Å; F262-W289 HydrophobicContact CZ-CE3 3.96Å; F262-W289 HydrophobicContact CZ-CZ3 4.14Å; Y264-W289 HydrophobicContact CD1-CH2 4.27Å; Y264-W289 AromaticContact CE1-CH2 3.76Å; Y264-W289 HydrophobicContact CE1-CH2 3.76Å; Y264-W289 HydrophobicContact CE1-CZ2 4.08Å; Y264-W289 HydrophobicContact CE2-CH2 4.32Å; Y264-W289 AromaticContact CZ-CH2 3.79Å; F274-W289 HydrophobicContact CD1-CH2 4.25Å; F274-W289 AromaticContact CD1-CZ3 3.72Å; F274-W289 HydrophobicContact CD1-CZ3 3.72Å; F274-W289 AromaticContact CE1-CZ3 3.96Å; F274-W289 HydrophobicContact CE1-CZ3 3.96Å; F274-W289 HydrophobicContact CG-CZ3 4.39Å; T275-W289 WeakPolarHBondContact CG2-O 3.22Å; V276-W289 HydrophobicContact CB-CB 4.43Å; V276-W289 HydrophobicContact CG2-CE3 3.98Å; V276-W289 PolarHBondContact N-O 3.43Å; V276-W289 PolarHBondContact O-N 2.95Å; W289-A291 VanDerWaalsContact CH2-CA 3.47Å; W289-A291 HydrophobicContact CH2-CB 3.61Å; W289-A291 HydrophobicContact CZ2-CB 4.32Å; W289-A291 HydrophobicContact CZ3-CB 4.02Å; W289-V309 HydrophobicContact CD2-CG1 4.01Å; W289-V309 HydrophobicContact CG-CG1 4.17Å; W289-V309 HydrophobicContact CH2-CG2 3.98Å; W289-V309 HydrophobicContact CZ2-CG1 4.18Å; W289-V309 HydrophobicContact CZ2-CG2 3.64Å; W289-V311 HydrophobicContact CB-CB 4.21Å; W289-V311 HydrophobicContact CB-CG1 4.34Å; W289-V311 HydrophobicContact CB-CG2 4.03Å
290	R	91.2	Very high	71.9	Confident	108 Å²	108	97.1 Å²	97.1	41%	0.408	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	139.5	175.6	-175	-170	-60.6	-148.3	-5.2	109.4	T275 E287 E292	T275-R290 HydrophobicContact CG2-CB 4.16Å; T275-R290 HydrophobicContact CG2-CG 4.35Å; E287-R290 IonicContact OE1-CZ 3.47Å; E287-R290 IonicContact OE1-NE 2.91Å; E287-R290 PolarHBondContact OE1-NE 2.83Å; E287-R290 IonicContact OE1-NH2 3.27Å; E287-R290 PolarHBondContact OE1-NH2 2.98Å; E287-R290 IonicContact OE2-CZ 3.63Å; E287-R290 IonicContact OE2-NE 3.73Å; E287-R290 IonicContact OE2-NH2 2.71Å; E287-R290 PolarHBondContact OE2-NH2 2.81Å; R290-E292 PolarHBondContact O-N 2.84Å; R290-E292 VanDerWaalsContact O-N 3.17Å
291	A	86.5	Confident	70.2	Confident	8 Å²	8	98.1 Å²	98.1	7%	0.066	47%	0.473	C	S	.	.			trans	-63.9	114.9	171.6	0	0	0	0	0	110.1	F274 W289	F274-A291 HydrophobicContact CB-CB 4.26Å; F274-A291 PolarHBondContact O-N 2.92Å; W289-A291 VanDerWaalsContact CH2-CA 3.47Å; W289-A291 HydrophobicContact CH2-CB 3.61Å; W289-A291 HydrophobicContact CZ2-CB 4.32Å; W289-A291 HydrophobicContact CZ3-CB 4.02Å
292	E	73.4	Confident	69	Low	108 Å²	108	93.8 Å²	93.8	51%	0.505	47%	0.47	S	S	.	.			trans	-73.8	149	179.9	-69.3	-165.7	160.5	0	0	111.8	R290 N295	R290-E292 PolarHBondContact O-N 2.84Å; R290-E292 VanDerWaalsContact O-N 3.17Å; E292-N295 PolarHBondContact OE2-ND2 2.96Å; E292-N295 VanDerWaalsContact OE2-ND2 3.11Å
293	P	59.8	Low	67.9	Low	86 Å²	86	93.5 Å²	93.5	56%	0.558	48%	0.477	S	S	*	.	S	Bend	trans	-76.2	-23.7	178	-14.6	29.9	0	0	0	114.7	E269	E269-P293 VanDerWaalsContact CD-O 3.23Å; E269-P293 WeakPolarHBondContact CG-O 3.22Å; E269-P293 VanDerWaalsContact OE1-O 3.12Å
294	D	52	Low	66.9	Low	142 Å²	142	94.4 Å²	94.4	76%	0.759	49%	0.487	S	S	*	.			trans	-125	11	-160.1	-140.4	2.7	0	0	0	114.2	R296	D294-R296 PolarHBondContact O-N 2.84Å; D294-R296 VanDerWaalsContact O-N 3.11Å
295	N	48.5	Very low	66.4	Low	80 Å²	80	94.7 Å²	94.7	43%	0.428	49%	0.488	S	S	.	.			trans	-74.9	104.9	178.4	-102.5	-20.6	0	0	0	110.6	E292 V297 D298	E292-N295 PolarHBondContact OE2-ND2 2.96Å; E292-N295 VanDerWaalsContact OE2-ND2 3.11Å; N295-V297 PolarHBondContact O-N 3.45Å; N295-D298 PolarHBondContact O-N 2.87Å; N295-D298 VanDerWaalsContact O-N 3.17Å
296	R	46.6	Very low	66.1	Low	221 Å²	221	92.2 Å²	92.2	83%	0.834	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-5	177.7	-73.7	-173.6	173.7	-149.2	-1.2	115.4	D294	D294-R296 PolarHBondContact O-N 2.84Å; D294-R296 VanDerWaalsContact O-N 3.11Å
297	V	48	Very low	66	Low	109 Å²	109	88.4 Å²	88.4	66%	0.661	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-27.7	178.4	-169.8	0	0	0	0	111.4	N295 F299	N295-V297 PolarHBondContact O-N 3.45Å; V297-F299 PolarHBondContact O-N 2.79Å; V297-F299 VanDerWaalsContact O-N 3.16Å
298	D	48.2	Very low	65.9	Low	44 Å²	44	88.5 Å²	88.5	24%	0.235	47%	0.469	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-4.4	-179.8	-65.8	-6.5	0	0	0	113.5	Y264 N295 S301 I307	Y264-D298 PolarHBondContact OH-OD2 3.39Å; N295-D298 PolarHBondContact O-N 2.87Å; N295-D298 VanDerWaalsContact O-N 3.17Å; D298-S301 PolarHBondContact O-OG 3.27Å; D298-I307 HydrophobicContact CB-CD1 4.03Å
299	F	46.9	Very low	66	Low	153 Å²	153	87.2 Å²	87.2	67%	0.671	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.3	3.5	-170.9	-90.6	-85.2	0	0	0	114.8	V297	V297-F299 PolarHBondContact O-N 2.79Å; V297-F299 VanDerWaalsContact O-N 3.16Å
300	I	47	Very low	65.9	Low	153 Å²	153	90.8 Å²	90.8	79%	0.785	48%	0.481	S	S	*	.	S	Bend	trans	-85.9	-20.2	168.8	-54.7	178	0	0	0	110.2
301	S	49.8	Very low	65.9	Low	36 Å²	36	86.5 Å²	86.5	25%	0.252	47%	0.467	S	S	.	.	S	Bend	trans	-76.2	146.3	173.9	31.1	0	0	0	0	112.1	D298 E305	D298-S301 PolarHBondContact O-OG 3.27Å; S301-E305 WeakPolarHBondContact CA-OE2 3.32Å; S301-E305 WeakPolarHBondContact CB-OE2 3.35Å
302	S	54.8	Low	65.9	Low	84 Å²	84	88.7 Å²	88.7	59%	0.587	48%	0.478	S	S	*	.	P	Polyproline II helix	trans	-68.6	152.2	179.3	-61.9	0	0	0	0	110.5	G304 E305	S302-G304 PolarHBondContact O-N 2.94Å; S302-E305 PolarHBondContact N-OE2 2.04Å; S302-E305 VanDerWaalsContact N-OE2 3.11Å; S302-E305 PolarHBondContact O-N 3.02Å; S302-E305 VanDerWaalsContact O-N 3.09Å
303	P	56.6	Low	66.6	Low	141 Å²	141	83.6 Å²	83.6	92%	0.916	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	119.8	172.4	-19.2	29.4	0	0	0	109.6
304	G	61.9	Low	67.5	Low	45 Å²	45	84 Å²	84	46%	0.464	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	104	3.4	-177.5	0	0	0	0	0	115.9	Q265 S302	Q265-G304 PolarHBondContact NE2-O 3.35Å; S302-G304 PolarHBondContact O-N 2.94Å
305	E	72.9	Confident	68.7	Low	107 Å²	107	77.3 Å²	77.3	50%	0.5	41%	0.411	S	S	.	.			trans	-84.6	148.8	173	-156.6	167.8	177.8	0	0	112.1	Q265 S301 S302	Q265-E305 PolarHBondContact NE2-O 3.33Å; S301-E305 WeakPolarHBondContact CA-OE2 3.32Å; S301-E305 WeakPolarHBondContact CB-OE2 3.35Å; S302-E305 PolarHBondContact N-OE2 2.04Å; S302-E305 VanDerWaalsContact N-OE2 3.11Å; S302-E305 PolarHBondContact O-N 3.02Å; S302-E305 VanDerWaalsContact O-N 3.09Å
306	W	82.5	Confident	69.6	Low	28 Å²	28	75.8 Å²	75.8	11%	0.106	41%	0.406	C	S	.	.			trans	-82	137.4	176.5	-71.4	95.1	0	0	0	110.7	P218 D219 H221 F230 Q263 Q265 A336 D338	P218-W306 HydrophobicContact CB-CZ2 4.25Å; P218-W306 HydrophobicContact CG-CH2 4.4Å; P218-W306 HydrophobicContact CG-CZ2 3.8Å; D219-W306 PolarHBondContact O-NE1 2.85Å; H221-W306 HydrophobicContact CB-CD2 3.97Å; H221-W306 HydrophobicContact CB-CG 4.03Å; H221-W306 HydrophobicContact CB-CZ2 4.35Å; H221-W306 AromaticContact CD2-CD1 3.61Å; H221-W306 AromaticContact CD2-CG 3.6Å; F230-W306 HydrophobicContact CB-CH2 4.09Å; F230-W306 HydrophobicContact CB-CZ2 4.45Å; F230-W306 HydrophobicContact CD2-CH2 4.17Å; F230-W306 HydrophobicContact CG-CH2 4.15Å; F230-W306 HydrophobicContact CG-CZ2 4.29Å; Q263-W306 HydrophobicContact CB-CB 4.35Å; Q263-W306 HydrophobicContact CB-CD2 4.3Å; Q263-W306 HydrophobicContact CB-CE3 3.7Å; Q263-W306 HydrophobicContact CB-CZ3 4.35Å; Q265-W306 HydrophobicContact CB-CE3 4.35Å; W306-A336 HydrophobicContact CH2-CB 3.81Å; W306-A336 HydrophobicContact CZ3-CB 4.1Å; W306-D338 HydrophobicContact CE3-CB 4.31Å; W306-D338 HydrophobicContact CH2-CB 3.51Å; W306-D338 HydrophobicContact CZ2-CB 4.15Å; W306-D338 HydrophobicContact CZ3-CB 3.6Å
307	I	85.6	Confident	70.9	Confident	29 Å²	29	67.9 Å²	67.9	15%	0.149	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	118.6	-179.7	-56.2	172.1	0	0	0	108.5	Y264 D298	Y264-I307 HydrophobicContact CD1-CB 4Å; Y264-I307 HydrophobicContact CD1-CG2 4.31Å; Y264-I307 WeakPolarHBondContact CD1-O 3.21Å; Y264-I307 HydrophobicContact CE1-CB 3.65Å; Y264-I307 HydrophobicContact CE1-CD1 4.47Å; Y264-I307 HydrophobicContact CE1-CG2 3.56Å; Y264-I307 HydrophobicContact CE2-CD1 4.31Å; Y264-I307 PolarHBondContact N-O 2.76Å; Y264-I307 WeakPolarHBondContact O-CB 3.48Å; Y264-I307 PolarHBondContact O-N 2.78Å; D298-I307 HydrophobicContact CB-CD1 4.03Å
308	P	89.8	Confident	72.5	Confident	90 Å²	90	64.1 Å²	64.1	58%	0.584	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.8	134.2	176.6	29.6	-33.7	0	0	0	110.7
309	V	91.7	Very high	74.4	Confident	8 Å²	8	62.1 Å²	62.1	5%	0.048	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	141.3	171.6	177.9	0	0	0	0	109.5	S261 F262 Y264 W289	S261-V309 WeakPolarHBondContact CA-O 3.4Å; S261-V309 WeakPolarHBondContact CB-O 3.32Å; F262-V309 HydrophobicContact CD1-CB 4.27Å; F262-V309 HydrophobicContact CD1-CG1 4.39Å; F262-V309 HydrophobicContact CD2-CB 4.08Å; F262-V309 HydrophobicContact CD2-CG2 4.38Å; F262-V309 HydrophobicContact CE1-CB 3.87Å; F262-V309 HydrophobicContact CE1-CG1 3.6Å; F262-V309 HydrophobicContact CE2-CB 3.66Å; F262-V309 HydrophobicContact CE2-CG1 4.06Å; F262-V309 HydrophobicContact CE2-CG2 3.73Å; F262-V309 HydrophobicContact CG-CB 4.38Å; F262-V309 HydrophobicContact CZ-CB 3.55Å; F262-V309 HydrophobicContact CZ-CG1 3.41Å; F262-V309 VanDerWaalsContact CZ-CG1 3.41Å; F262-V309 HydrophobicContact CZ-CG2 3.93Å; F262-V309 PolarHBondContact N-O 2.78Å; F262-V309 VanDerWaalsContact N-O 3.15Å; F262-V309 PolarHBondContact O-N 3.5Å; Y264-V309 HydrophobicContact CD1-CG2 3.37Å; Y264-V309 HydrophobicContact CE1-CG2 3.25Å; W289-V309 HydrophobicContact CD2-CG1 4.01Å; W289-V309 HydrophobicContact CG-CG1 4.17Å; W289-V309 HydrophobicContact CH2-CG2 3.98Å; W289-V309 HydrophobicContact CZ2-CG1 4.18Å; W289-V309 HydrophobicContact CZ2-CG2 3.64Å
310	Q	90.6	Very high	76.6	Confident	127 Å²	127	56.7 Å²	56.7	59%	0.593	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.3	122.3	171.1	-71.6	-170.6	-26	0	0	108.2	L260 C347	L260-Q310 WeakPolarHBondContact O-CA 3.34Å; Q310-C347 HydrophobicContact CB-CB 3.97Å
311	V	90.3	Very high	78.9	Confident	17 Å²	17	49.4 Å²	49.4	10%	0.103	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	136.9	178.6	60.5	0	0	0	0	110.6	L260 F262 L288 W289 L313 C347	L260-V311 HydrophobicContact CB-CG1 4.05Å; L260-V311 HydrophobicContact CD2-CG1 4.15Å; L260-V311 HydrophobicContact CG-CG1 4.41Å; L260-V311 PolarHBondContact N-O 3.19Å; L260-V311 PolarHBondContact O-N 3.46Å; F262-V311 HydrophobicContact CE1-CG1 4.45Å; L288-V311 HydrophobicContact CB-CG2 4.38Å; L288-V311 WeakPolarHBondContact O-CG2 3.07Å; W289-V311 HydrophobicContact CB-CB 4.21Å; W289-V311 HydrophobicContact CB-CG1 4.34Å; W289-V311 HydrophobicContact CB-CG2 4.03Å; V311-L313 PolarHBondContact O-N 2.96Å; V311-C347 PolarHBondContact N-SG 3.27Å; V311-C347 VanDerWaalsContact N-SG 3.38Å; V311-C347 PolarHBondContact O-SG 3.19Å
312	D	87.6	Confident	81.2	Confident	55 Å²	55	47.7 Å²	47.7	29%	0.294	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	116.2	175.2	-66.6	-32	0	0	0	110.2	G258 F346 C347	G258-D312 WeakPolarHBondContact O-CA 3.37Å; D312-F346 HydrophobicContact CB-CD1 3.87Å; D312-F346 HydrophobicContact CB-CE1 4.28Å; D312-F346 WeakPolarHBondContact OD1-CD1 3.37Å; D312-C347 PolarHBondContact OD1-N 2.91Å; D312-C347 PolarHBondContact OD1-SG 3.21Å
313	L	87.1	Confident	83.2	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	124.4	171.7	176	63.3	0	0	0	108.7	L181 M256 S257 G258 L260 T278 L288 V311 A315 V321 F342	L181-L313 HydrophobicContact CD1-CD2 3.94Å; M256-L313 HydrophobicContact CE-CD2 4.42Å; S257-L313 VanDerWaalsContact CA-O 3.26Å; S257-L313 WeakPolarHBondContact CA-O 3.48Å; G258-L313 PolarHBondContact N-O 3.24Å; G258-L313 PolarHBondContact O-N 3.44Å; L260-L313 HydrophobicContact CB-CB 4.24Å; T278-L313 HydrophobicContact CG2-CD1 3.53Å; L288-L313 HydrophobicContact CD1-CD1 3.79Å; L288-L313 HydrophobicContact CD2-CD1 4.06Å; V311-L313 PolarHBondContact O-N 2.96Å; L313-A315 HydrophobicContact CD1-CB 4.38Å; L313-A315 HydrophobicContact CG-CB 4.43Å; L313-V321 HydrophobicContact CD2-CG2 4.45Å; L313-F342 HydrophobicContact CB-CE2 4.23Å; L313-F342 HydrophobicContact CD2-CD2 4.2Å; L313-F342 HydrophobicContact CD2-CE2 3.92Å
314	K	79.3	Confident	85	Confident	95 Å²	95	38.3 Å²	38.3	41%	0.413	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	93.5	173.8	-66.8	176.8	-175.5	167.9	0	109.6	P316 F346 E352	K314-P316 WeakPolarHBondContact O-CD 3.2Å; K314-F346 HydrophobicContact CG-CE1 4.13Å; K314-E352 IonicContact NZ-OE1 3.75Å; K314-E352 IonicContact NZ-OE2 3.9Å; K314-E352 PolarHBondContact NZ-OE2 2.82Å
315	A	77.1	Confident	86.5	Confident	1 Å²	1	36.1 Å²	36.1	1%	0.008	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	80.8	-180	0	0	0	0	0	110.1	P255 M256 L313 Y317 V319	P255-A315 CarbonylContact C-O 3.59Å; P255-A315 WeakPolarHBondContact CA-O 3.1Å; M256-A315 PolarHBondContact N-O 3.31Å; M256-A315 CarbonylContact O-C 3.46Å; M256-A315 WeakPolarHBondContact O-CA 3.38Å; M256-A315 WeakPolarHBondContact O-CB 3.44Å; M256-A315 PolarHBondContact O-N 3.44Å; L313-A315 HydrophobicContact CD1-CB 4.38Å; L313-A315 HydrophobicContact CG-CB 4.43Å; A315-Y317 PolarHBondContact O-N 2.78Å; A315-Y317 VanDerWaalsContact O-N 3.07Å; A315-V319 HydrophobicContact CB-CB 4.49Å; A315-V319 HydrophobicContact CB-CG1 4.31Å; A315-V319 HydrophobicContact CB-CG2 3.42Å; A315-V319 VanDerWaalsContact CB-CG2 3.42Å
316	P	67.6	Low	87.3	Confident	49 Å²	49	31.5 Å²	31.5	32%	0.318	16%	0.164	S	C	.	.	S	Bend	trans	-68.1	-3.3	176.2	27.7	-32.1	0	0	0	113.1	P255 K314 L513	P255-P316 WeakPolarHBondContact CB-O 3.45Å; P255-P316 WeakPolarHBondContact CG-O 3.28Å; K314-P316 WeakPolarHBondContact O-CD 3.2Å; P316-L513 HydrophobicContact CB-CB 4.1Å
317	Y	73.1	Confident	87.4	Confident	55 Å²	55	30.3 Å²	30.3	22%	0.216	16%	0.16	C	C	.	.	S	Bend	trans	-141.7	163.6	177	41.2	-100.8	0	0	0	110.1	D280 A315 V319	D280-Y317 HydrophobicContact CB-CD2 4.38Å; D280-Y317 HydrophobicContact CB-CE2 4.06Å; A315-Y317 PolarHBondContact O-N 2.78Å; A315-Y317 VanDerWaalsContact O-N 3.07Å; Y317-V319 HydrophobicContact CD2-CG1 3.64Å; Y317-V319 HydrophobicContact CE2-CG1 3.64Å; Y317-V319 PolarHBondContact O-N 2.79Å
318	P	82.3	Confident	87	Confident	29 Å²	29	33.5 Å²	33.5	19%	0.188	18%	0.177	C	C	.	.			trans	-50.3	118.6	173.9	-34	40.8	0	0	0	113.3	M251 A252 R281	M251-P318 HydrophobicContact CG-CB 4.26Å; M251-P318 HydrophobicContact SD-CB 3.91Å; A252-P318 WeakPolarHBondContact O-CA 3.32Å; A252-P318 WeakPolarHBondContact O-CB 3.32Å; R281-P318 HydrophobicContact CG-CB 4.45Å
319	V	87.8	Confident	86.3	Confident	2 Å²	2	31 Å²	31	1%	0.012	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	160.7	173.9	-59.4	0	0	0	0	111	A252 T278 R279 D280 A315 Y317	A252-V319 WeakPolarHBondContact CB-O 3.11Å; A252-V319 PolarHBondContact N-O 3.46Å; T278-V319 HydrophobicContact CG2-CB 4.48Å; T278-V319 HydrophobicContact CG2-CG2 4.01Å; R279-V319 CarbonylContact O-C 3.56Å; R279-V319 WeakPolarHBondContact O-CA 3.23Å; D280-V319 HydrophobicContact CB-CG1 4.46Å; A315-V319 HydrophobicContact CB-CB 4.49Å; A315-V319 HydrophobicContact CB-CG1 4.31Å; A315-V319 HydrophobicContact CB-CG2 3.42Å; A315-V319 VanDerWaalsContact CB-CG2 3.42Å; Y317-V319 HydrophobicContact CD2-CG1 3.64Å; Y317-V319 HydrophobicContact CE2-CG1 3.64Å; Y317-V319 PolarHBondContact O-N 2.79Å
320	Q	93.7	Very high	85.4	Confident	39 Å²	39	33.9 Å²	33.9	18%	0.182	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	145.5	162.6	-60.7	-179.2	-63.3	0	0	109.4	V248 S249 M251 T278 R279	V248-Q320 HydrophobicContact CG1-CB 3.92Å; V248-Q320 VanDerWaalsContact CG1-CD 3.45Å; V248-Q320 HydrophobicContact CG1-CG 4.2Å; S249-Q320 PolarHBondContact O-NE2 3.5Å; M251-Q320 HydrophobicContact CB-CG 4.19Å; M251-Q320 HydrophobicContact CE-CG 3.73Å; M251-Q320 HydrophobicContact SD-CG 4.05Å; T278-Q320 CarbonylContact C-O 3.58Å; T278-Q320 VanDerWaalsContact CA-O 3.28Å; T278-Q320 WeakPolarHBondContact CA-O 3.49Å; R279-Q320 PolarHBondContact N-O 3.09Å; R279-Q320 PolarHBondContact O-N 2.79Å
321	V	95.8	Very high	84.7	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	128.7	164.1	-176.9	0	0	0	0	107.9	L181 S249 L260 V276 F277 L313 F323	L181-V321 HydrophobicContact CD1-CG2 4.14Å; L181-V321 HydrophobicContact CD2-CG2 4.05Å; S249-V321 PolarHBondContact N-O 3.39Å; S249-V321 PolarHBondContact OG-N 2.01Å; L260-V321 HydrophobicContact CD2-CG1 3.93Å; L260-V321 HydrophobicContact CD2-CG2 4.38Å; V276-V321 HydrophobicContact CG1-CG1 3.65Å; F277-V321 CarbonylContact O-C 3.6Å; F277-V321 WeakPolarHBondContact O-CA 3.31Å; L313-V321 HydrophobicContact CD2-CG2 4.45Å; V321-F323 HydrophobicContact CB-CE2 4.37Å; V321-F323 HydrophobicContact CG1-CD2 4.19Å; V321-F323 HydrophobicContact CG1-CE2 3.61Å; V321-F323 HydrophobicContact CG1-CZ 3.85Å
322	V	96.8	Very high	84	Confident	0 Å²	0	37 Å²	37	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	114.6	-178.6	-178	0	0	0	0	108.9	K246 V248 V276 F277 R279 Y285	K246-V322 HydrophobicContact CB-CG1 4.15Å; K246-V322 HydrophobicContact CD-CG1 4.42Å; K246-V322 HydrophobicContact CG-CG1 4.35Å; V248-V322 HydrophobicContact CG1-CG2 4.21Å; V248-V322 HydrophobicContact CG2-CG1 4.13Å; V248-V322 HydrophobicContact CG2-CG2 4.15Å; V276-V322 WeakPolarHBondContact CA-O 3.43Å; F277-V322 HydrophobicContact CB-CB 4.38Å; F277-V322 PolarHBondContact N-O 3.17Å; F277-V322 PolarHBondContact O-N 3.38Å; R279-V322 HydrophobicContact CB-CG2 3.86Å; Y285-V322 HydrophobicContact CE1-CB 4.35Å; Y285-V322 HydrophobicContact CE1-CG1 4.23Å; Y285-V322 HydrophobicContact CE1-CG2 4.16Å
323	F	96.9	Very high	83.8	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	108.8	172.5	-64.2	-89	0	0	0	108.6	Y193 W203 K246 L247 F262 F274 V276 V321 L337 I340	Y193-F323 HydrophobicContact CE1-CD2 4.18Å; Y193-F323 AromaticContact CE1-CE2 3.9Å; Y193-F323 HydrophobicContact CE1-CE2 3.9Å; W203-F323 HydrophobicContact CZ2-CB 3.96Å; W203-F323 PolarHBondContact NE1-O 3.5Å; K246-F323 WeakPolarHBondContact CA-O 3.48Å; L247-F323 HydrophobicContact CB-CB 4.26Å; L247-F323 PolarHBondContact N-O 3.4Å; L247-F323 PolarHBondContact O-N 2.71Å; F262-F323 AromaticContact CD1-CE1 3.97Å; F262-F323 HydrophobicContact CD1-CE1 3.97Å; F262-F323 HydrophobicContact CD1-CZ 4.45Å; F262-F323 HydrophobicContact CD2-CE1 4.36Å; F262-F323 HydrophobicContact CE1-CE1 4.12Å; F262-F323 HydrophobicContact CE2-CE1 4.5Å; F262-F323 HydrophobicContact CG-CE1 4.09Å; F262-F323 HydrophobicContact CZ-CE1 4.37Å; F274-F323 HydrophobicContact CE2-CB 4.1Å; F274-F323 HydrophobicContact CE2-CD1 4.07Å; F274-F323 AromaticContact CZ-CD1 3.84Å; F274-F323 HydrophobicContact CZ-CD1 3.84Å; V276-F323 HydrophobicContact CG1-CD1 4.31Å; V276-F323 HydrophobicContact CG1-CE1 4.19Å; V276-F323 HydrophobicContact CG2-CD1 3.64Å; V276-F323 HydrophobicContact CG2-CE1 3.87Å; V321-F323 HydrophobicContact CB-CE2 4.37Å; V321-F323 HydrophobicContact CG1-CD2 4.19Å; V321-F323 HydrophobicContact CG1-CE2 3.61Å; V321-F323 HydrophobicContact CG1-CZ 3.85Å; F323-L337 HydrophobicContact CB-CD2 3.99Å; F323-L337 HydrophobicContact CD1-CD1 4.11Å; F323-L337 HydrophobicContact CD1-CD2 3.57Å; F323-L337 HydrophobicContact CD2-CD2 4Å; F323-L337 HydrophobicContact CE1-CD1 3.95Å; F323-L337 HydrophobicContact CE1-CD2 3.97Å; F323-L337 HydrophobicContact CE2-CD2 4.38Å; F323-L337 HydrophobicContact CG-CD2 3.58Å; F323-L337 HydrophobicContact CZ-CD2 4.35Å; F323-I340 HydrophobicContact CD2-CD1 4.46Å; F323-I340 HydrophobicContact CE2-CD1 3.69Å; F323-I340 HydrophobicContact CZ-CD1 3.79Å; F323-I340 HydrophobicContact CZ-CG1 4.21Å; F323-I340 HydrophobicContact CZ-CG2 4.39Å
324	E	95.4	Very high	83.7	Confident	28 Å²	28	35.7 Å²	35.7	13%	0.131	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	125.8	-171.2	-173.6	171.2	114.8	0	0	111.3	V244 A245 K246 F274 T275 F277	V244-E324 HydrophobicContact CG1-CG 3.13Å; A245-E324 WeakPolarHBondContact O-CA 3.45Å; K246-E324 WeakPolarHBondContact CE-OE2 3.41Å; K246-E324 HydrophobicContact CG-CG 4.18Å; K246-E324 IonicContact NZ-OE2 2.65Å; K246-E324 PolarHBondContact NZ-OE2 3.15Å; F274-E324 WeakPolarHBondContact CA-O 3.48Å; F274-E324 WeakPolarHBondContact CD2-O 3.42Å; T275-E324 PolarHBondContact N-O 2.9Å; T275-E324 PolarHBondContact O-N 3.07Å; F277-E324 HydrophobicContact CD2-CB 4.02Å; F277-E324 HydrophobicContact CE2-CB 3.87Å; F277-E324 HydrophobicContact CE2-CG 4.33Å
325	V	92.1	Very high	84.2	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	118.1	173.6	-176.9	0	0	0	0	109.6	W203 V233 V244 A245 N272 M273 F274 F327 V335	W203-V325 HydrophobicContact CH2-CG2 4.06Å; W203-V325 HydrophobicContact CZ2-CG2 3.65Å; V233-V325 HydrophobicContact CG1-CB 3.77Å; V233-V325 HydrophobicContact CG1-CG1 3.89Å; V233-V325 HydrophobicContact CG1-CG2 3.71Å; V244-V325 WeakPolarHBondContact CA-O 3.5Å; A245-V325 PolarHBondContact N-O 2.83Å; A245-V325 PolarHBondContact O-N 3.14Å; N272-V325 HydrophobicContact CB-CG1 4.28Å; M273-V325 WeakPolarHBondContact O-CA 3.31Å; F274-V325 HydrophobicContact CB-CG2 4.31Å; F274-V325 HydrophobicContact CD2-CG2 3.5Å; F274-V325 HydrophobicContact CE2-CG2 4.15Å; F274-V325 HydrophobicContact CG-CG2 4.18Å; V325-F327 HydrophobicContact CB-CE2 4.44Å; V325-F327 HydrophobicContact CG1-CD2 4.33Å; V325-F327 HydrophobicContact CG1-CE1 4.2Å; V325-F327 HydrophobicContact CG1-CE2 3.64Å; V325-F327 HydrophobicContact CG1-CZ 3.6Å; V325-V335 HydrophobicContact CG1-CB 4.35Å; V325-V335 HydrophobicContact CG1-CG2 3.85Å; V325-V335 HydrophobicContact CG2-CB 3.99Å; V325-V335 HydrophobicContact CG2-CG1 4.03Å; V325-V335 HydrophobicContact CG2-CG2 4.15Å
326	G	89.6	Confident	84.9	Confident	10 Å²	10	31.1 Å²	31.1	10%	0.103	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	139.1	172.2	0	0	0	0	0	111.7	N272 M273	N272-G326 CarbonylContact C-O 3.58Å; N272-G326 VanDerWaalsContact CA-O 3.28Å; N272-G326 WeakPolarHBondContact CA-O 3.44Å; M273-G326 PolarHBondContact N-O 2.74Å; M273-G326 PolarHBondContact O-N 3.46Å
327	F	85.6	Confident	86.1	Confident	2 Å²	2	28.8 Å²	28.8	1%	0.009	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	132.8	178	-66.9	-81.7	0	0	0	112.4	V201 V233 S235 A238 E243 N272 V325	V201-F327 HydrophobicContact CG1-CD2 3.78Å; V201-F327 HydrophobicContact CG1-CE2 3.56Å; V201-F327 HydrophobicContact CG2-CD2 4.49Å; V233-F327 HydrophobicContact CG1-CE2 4.37Å; V233-F327 HydrophobicContact CG1-CZ 4.13Å; V233-F327 HydrophobicContact CG2-CE2 3.57Å; V233-F327 HydrophobicContact CG2-CZ 3.89Å; S235-F327 VanDerWaalsContact CB-CD1 3.41Å; A238-F327 HydrophobicContact CB-CB 4.24Å; E243-F327 PolarHBondContact O-N 3.31Å; N272-F327 HydrophobicContact CB-CD1 3.62Å; N272-F327 HydrophobicContact CB-CE1 3.61Å; N272-F327 HydrophobicContact CB-CZ 4.5Å; V325-F327 HydrophobicContact CB-CE2 4.44Å; V325-F327 HydrophobicContact CG1-CD2 4.33Å; V325-F327 HydrophobicContact CG1-CE1 4.2Å; V325-F327 HydrophobicContact CG1-CE2 3.64Å; V325-F327 HydrophobicContact CG1-CZ 3.6Å
328	N	77.3	Confident	86.9	Confident	97 Å²	97	26.2 Å²	26.2	52%	0.519	14%	0.135	S	C	.	.	S	Bend	trans	-99.4	2.8	177.6	-66.8	-28.3	0	0	0	112.4	F241 G271	F241-N328 WeakPolarHBondContact CD1-O 3.4Å; F241-N328 WeakPolarHBondContact CE1-O 3.49Å; G271-N328 PolarHBondContact O-N 2.87Å
329	S	73.7	Confident	87.4	Confident	36 Å²	36	26.7 Å²	26.7	25%	0.252	14%	0.136	S	C	.	.	S	Bend	trans	-167.4	149.9	-180	177.1	0	0	0	0	110.5	R331 G332	S329-R331 PolarHBondContact O-N 3.43Å; S329-R331 PolarHBondContact OG-N 2.99Å; S329-G332 WeakPolarHBondContact O-CA 3.15Å; S329-G332 PolarHBondContact O-N 2.97Å
330	P	73.1	Confident	87.7	Confident	70 Å²	70	26.8 Å²	26.8	46%	0.455	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-9.8	166.3	-17.5	30.4	0	0	0	113.8	S235	S235-P330 PolarHBondContact OG-O 2.83Å
331	R	77.3	Confident	87.7	Confident	208 Å²	208	27.1 Å²	27.1	79%	0.785	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.7	49.3	167.5	-69.6	-178.5	-90.1	-172.6	-7.8	108.5	S329	S329-R331 PolarHBondContact O-N 3.43Å; S329-R331 PolarHBondContact OG-N 2.99Å
332	G	75.4	Confident	87.5	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.145	C	C	.	.			trans	-93	-1.3	-174.7	0	0	0	0	0	113.1	S235 G271 N272 S329	S235-G332 WeakPolarHBondContact OG-CA 3.31Å; S235-G332 PolarHBondContact OG-N 2.93Å; G271-G332 CarbonylContact C-O 3.37Å; N272-G332 PolarHBondContact ND2-O 3.04Å; S329-G332 WeakPolarHBondContact O-CA 3.15Å; S329-G332 PolarHBondContact O-N 2.97Å
333	G	83.4	Confident	87.1	Confident	10 Å²	10	29.7 Å²	29.7	10%	0.103	16%	0.159	C	C	.	.			trans	74.4	-153.9	-173.1	0	0	0	0	0	113.2	S235 S267	S235-G333 VanDerWaalsContact CB-O 3.25Å; S235-G333 WeakPolarHBondContact CB-O 3.38Å; S235-G333 PolarHBondContact N-O 2.96Å; S235-G333 PolarHBondContact OG-N 2.83Å; S235-G333 PolarHBondContact OG-O 2.81Å; S267-G333 WeakPolarHBondContact OG-CA 3.18Å
334	H	85.2	Confident	86.6	Confident	19 Å²	19	33.4 Å²	33.4	9%	0.088	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	162.9	175.8	64.6	-106.4	0	0	0	111.9	M217 V233 D234 S267	M217-H334 HydrophobicContact CE-CB 3.55Å; M217-H334 VanDerWaalsContact CE-CD2 3.41Å; M217-H334 WeakPolarHBondContact CE-CD2 3.37Å; V233-H334 CarbonylContact O-C 3.43Å; V233-H334 WeakPolarHBondContact O-CA 3.45Å; V233-H334 VanDerWaalsContact O-CB 3.25Å; V233-H334 WeakPolarHBondContact O-CB 3.46Å; D234-H334 HydrophobicContact CB-CB 4.27Å; S267-H334 VanDerWaalsContact CB-CE1 3.45Å; S267-H334 WeakPolarHBondContact CB-CE1 3.29Å; S267-H334 PolarHBondContact N-O 2.95Å; S267-H334 PolarHBondContact OG-N 3.49Å
335	V	89.5	Confident	86.1	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	134.3	169.4	178.2	0	0	0	0	108	W203 Y232 V233 Q265 R266 N272 F274 V325	W203-V335 HydrophobicContact CH2-CG1 4.46Å; Y232-V335 CarbonylContact C-O 3.46Å; Y232-V335 VanDerWaalsContact CA-O 3.25Å; Y232-V335 WeakPolarHBondContact CA-O 3.2Å; V233-V335 HydrophobicContact CG1-CB 4Å; V233-V335 PolarHBondContact N-O 3.18Å; V233-V335 PolarHBondContact O-N 3.27Å; Q265-V335 CarbonylContact O-C 3.58Å; Q265-V335 VanDerWaalsContact O-CA 3.27Å; Q265-V335 WeakPolarHBondContact O-CA 3.29Å; R266-V335 HydrophobicContact CG-CG2 4.34Å; N272-V335 HydrophobicContact CB-CG2 4.49Å; F274-V335 HydrophobicContact CB-CG1 4.36Å; F274-V335 HydrophobicContact CB-CG2 4.4Å; F274-V335 HydrophobicContact CD1-CG1 3.96Å; F274-V335 HydrophobicContact CD2-CG1 4.31Å; F274-V335 HydrophobicContact CE1-CG1 4.28Å; F274-V335 HydrophobicContact CG-CG1 3.97Å; V325-V335 HydrophobicContact CG1-CB 4.35Å; V325-V335 HydrophobicContact CG1-CG2 3.85Å; V325-V335 HydrophobicContact CG2-CB 3.99Å; V325-V335 HydrophobicContact CG2-CG1 4.03Å; V325-V335 HydrophobicContact CG2-CG2 4.15Å
336	A	90.4	Very high	85.7	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	150.7	170.9	0	0	0	0	0	110	P218 F230 M231 Y264 Q265 W306	P218-A336 HydrophobicContact CG-CB 4.35Å; F230-A336 HydrophobicContact CD2-CB 4.01Å; F230-A336 HydrophobicContact CE2-CB 4.08Å; M231-A336 CarbonylContact O-C 3.57Å; M231-A336 VanDerWaalsContact O-CA 3.31Å; M231-A336 WeakPolarHBondContact O-CA 3.49Å; Y264-A336 CarbonylContact C-O 3.52Å; Y264-A336 WeakPolarHBondContact CA-O 3.19Å; Y264-A336 WeakPolarHBondContact CB-O 3.29Å; Q265-A336 HydrophobicContact CB-CB 4.28Å; Q265-A336 PolarHBondContact N-O 3.09Å; Q265-A336 PolarHBondContact O-N 3.03Å; W306-A336 HydrophobicContact CH2-CB 3.81Å; W306-A336 HydrophobicContact CZ3-CB 4.1Å
337	L	93.3	Very high	85.5	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	134.5	-175.9	175	66.7	0	0	0	108.8	F185 W203 M231 L247 F262 Q263 F274 F323 I340	F185-L337 HydrophobicContact CE2-CG 4.37Å; W203-L337 HydrophobicContact CH2-CB 3.87Å; W203-L337 HydrophobicContact CH2-CD2 4.05Å; W203-L337 HydrophobicContact CZ3-CB 3.67Å; W203-L337 HydrophobicContact CZ3-CD2 4.28Å; M231-L337 PolarHBondContact N-O 3.12Å; M231-L337 PolarHBondContact O-N 2.83Å; L247-L337 HydrophobicContact CD2-CD2 4.02Å; F262-L337 HydrophobicContact CB-CD1 3.89Å; F262-L337 HydrophobicContact CD2-CD1 3.53Å; F262-L337 HydrophobicContact CE2-CD1 4.36Å; F262-L337 HydrophobicContact CG-CD1 3.96Å; Q263-L337 WeakPolarHBondContact O-CA 3.17Å; F274-L337 HydrophobicContact CZ-CD1 4.34Å; F323-L337 HydrophobicContact CB-CD2 3.99Å; F323-L337 HydrophobicContact CD1-CD1 4.11Å; F323-L337 HydrophobicContact CD1-CD2 3.57Å; F323-L337 HydrophobicContact CD2-CD2 4Å; F323-L337 HydrophobicContact CE1-CD1 3.95Å; F323-L337 HydrophobicContact CE1-CD2 3.97Å; F323-L337 HydrophobicContact CE2-CD2 4.38Å; F323-L337 HydrophobicContact CG-CD2 3.58Å; F323-L337 HydrophobicContact CZ-CD2 4.35Å; L337-I340 HydrophobicContact CD1-CG1 4.44Å; L337-I340 HydrophobicContact CD2-CD1 4.11Å; L337-I340 HydrophobicContact CG-CD1 4.43Å
338	D	91.4	Very high	85.2	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	167.6	-179.4	-158.2	8.3	0	0	0	111.6	H221 F230 Q263 W306 I340	H221-D338 HydrophobicContact CB-CB 4.29Å; H221-D338 VanDerWaalsContact CB-OD2 3.28Å; H221-D338 WeakPolarHBondContact CB-OD2 3.13Å; H221-D338 PolarHBondContact N-OD2 3.49Å; F230-D338 HydrophobicContact CB-CB 3.96Å; Q263-D338 HydrophobicContact CB-CB 4.49Å; Q263-D338 PolarHBondContact N-O 2.61Å; Q263-D338 PolarHBondContact O-N 3.47Å; W306-D338 HydrophobicContact CE3-CB 4.31Å; W306-D338 HydrophobicContact CH2-CB 3.51Å; W306-D338 HydrophobicContact CZ2-CB 4.15Å; W306-D338 HydrophobicContact CZ3-CB 3.6Å; D338-I340 PolarHBondContact O-N 3.33Å
339	D	91.3	Very high	84.7	Confident	40 Å²	40	52.8 Å²	52.8	21%	0.214	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	49.9	56.3	171	-83.6	-30.7	0	0	0	115	H221 T222 F262 Q263 S341	H221-D339 IonicContact CE1-OD2 3.82Å; H221-D339 IonicContact CG-OD2 3.63Å; H221-D339 IonicContact ND1-OD2 2.77Å; H221-D339 PolarHBondContact ND1-OD2 3.39Å; T222-D339 PolarHBondContact OG1-OD1 3.41Å; T222-D339 VanDerWaalsContact OG1-OD1 3.1Å; F262-D339 WeakPolarHBondContact CA-O 3Å; Q263-D339 HydrophobicContact CG-CB 3.9Å; D339-S341 PolarHBondContact O-N 2.94Å
340	I	95.1	Very high	84.1	Confident	4 Å²	4	58.1 Å²	58.1	2%	0.021	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	124.5	175.1	-54.4	171	0	0	0	108.9	E182 C183 F185 Y193 L260 S261 F262 F323 L337 D338	E182-I340 CarbonylContact C-O 3.53Å; E182-I340 VanDerWaalsContact CA-O 3.25Å; E182-I340 WeakPolarHBondContact CA-O 2.94Å; C183-I340 PolarHBondContact N-O 2.84Å; C183-I340 PolarHBondContact O-N 3.32Å; F185-I340 HydrophobicContact CE2-CD1 4.01Å; F185-I340 HydrophobicContact CE2-CG1 4.32Å; F185-I340 HydrophobicContact CZ-CD1 3.59Å; F185-I340 HydrophobicContact CZ-CG1 4.38Å; Y193-I340 HydrophobicContact CE1-CD1 3.92Å; Y193-I340 HydrophobicContact CE2-CD1 4.3Å; L260-I340 HydrophobicContact CD1-CG2 3.99Å; S261-I340 WeakPolarHBondContact O-CA 3.43Å; F262-I340 HydrophobicContact CB-CG1 4.15Å; F323-I340 HydrophobicContact CD2-CD1 4.46Å; F323-I340 HydrophobicContact CE2-CD1 3.69Å; F323-I340 HydrophobicContact CZ-CD1 3.79Å; F323-I340 HydrophobicContact CZ-CG1 4.21Å; F323-I340 HydrophobicContact CZ-CG2 4.39Å; L337-I340 HydrophobicContact CD1-CG1 4.44Å; L337-I340 HydrophobicContact CD2-CD1 4.11Å; L337-I340 HydrophobicContact CG-CD1 4.43Å; D338-I340 PolarHBondContact O-N 3.33Å
341	S	93.6	Very high	83.1	Confident	45 Å²	45	60 Å²	60	32%	0.315	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	153.2	-177.9	43	0	0	0	0	111.2	S261 D339	S261-S341 PolarHBondContact N-O 2.88Å; S261-S341 PolarHBondContact O-N 3.48Å; S261-S341 PolarHBondContact O-OG 2.63Å; S261-S341 PolarHBondContact OG-O 2.85Å; S261-S341 PolarHBondContact OG-OG 2.69Å; D339-S341 PolarHBondContact O-N 2.94Å
342	F	92.3	Very high	82	Confident	12 Å²	12	56 Å²	56	5%	0.053	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	134.8	177.6	179.7	-98	0	0	0	111.1	Y179 M256 C259 L313	Y179-F342 AromaticContact CD1-CD1 3.77Å; Y179-F342 HydrophobicContact CD1-CD1 3.77Å; Y179-F342 HydrophobicContact CD1-CE1 4.08Å; Y179-F342 HydrophobicContact CD2-CB 4.33Å; Y179-F342 AromaticContact CD2-CD1 3.61Å; Y179-F342 HydrophobicContact CD2-CD1 3.61Å; Y179-F342 HydrophobicContact CD2-CE1 4.48Å; Y179-F342 HydrophobicContact CD2-CG 4.46Å; Y179-F342 AromaticContact CE1-CD1 3.85Å; Y179-F342 HydrophobicContact CE1-CD1 3.85Å; Y179-F342 AromaticContact CE1-CE1 3.81Å; Y179-F342 HydrophobicContact CE1-CE1 3.81Å; Y179-F342 AromaticContact CE2-CD1 3.7Å; Y179-F342 HydrophobicContact CE2-CD1 3.7Å; Y179-F342 HydrophobicContact CE2-CE1 4.24Å; Y179-F342 HydrophobicContact CG-CB 4.48Å; Y179-F342 AromaticContact CG-CD1 3.64Å; Y179-F342 HydrophobicContact CG-CD1 3.64Å; Y179-F342 HydrophobicContact CG-CE1 4.41Å; Y179-F342 HydrophobicContact CG-CG 4.49Å; Y179-F342 AromaticContact CZ-CD1 3.83Å; Y179-F342 AromaticContact CZ-CE1 3.9Å; M256-F342 HydrophobicContact CB-CE1 4.38Å; M256-F342 HydrophobicContact CB-CZ 4Å; C259-F342 WeakPolarHBondContact O-CA 3.48Å; C259-F342 WeakPolarHBondContact O-CD2 3.47Å; L313-F342 HydrophobicContact CB-CE2 4.23Å; L313-F342 HydrophobicContact CD2-CD2 4.2Å; L313-F342 HydrophobicContact CD2-CE2 3.92Å
343	S	88.3	Confident	81.1	Confident	43 Å²	43	61.2 Å²	61.2	30%	0.301	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	138.6	171.9	177	0	0	0	0	109.7	G258 C259 E345	G258-S343 CarbonylContact C-O 3.5Å; G258-S343 WeakPolarHBondContact CA-O 3.39Å; C259-S343 PolarHBondContact N-O 2.94Å; C259-S343 PolarHBondContact O-N 2.83Å; S343-E345 PolarHBondContact O-N 2.78Å; S343-E345 PolarHBondContact OG-N 3.18Å
344	P	84.8	Confident	80	Confident	77 Å²	77	66.9 Å²	66.9	50%	0.5	36%	0.363	S	S	.	.	S	Bend	trans	-69.3	-12.1	172.2	30.6	-35	0	0	0	112.8	Y179	Y179-P344 WeakPolarHBondContact OH-CG 3.3Å
345	E	85.1	Confident	79.5	Confident	153 Å²	153	68.9 Å²	68.9	72%	0.715	37%	0.372	S	S	*	.	S	Bend	trans	-86.2	136.8	171.4	-60.2	-174.5	176	0	0	109.9	C259 S343	C259-E345 WeakPolarHBondContact CB-O 3.47Å; C259-E345 PolarHBondContact N-O 2.86Å; S343-E345 PolarHBondContact O-N 2.78Å; S343-E345 PolarHBondContact OG-N 3.18Å
346	F	84.6	Confident	79.1	Confident	58 Å²	58	73.5 Å²	73.5	25%	0.254	40%	0.397	S	S	.	.			trans	-64.4	153.5	175.2	-72.6	-70.8	0	0	0	112	D312 K314 N348	D312-F346 HydrophobicContact CB-CD1 3.87Å; D312-F346 HydrophobicContact CB-CE1 4.28Å; D312-F346 WeakPolarHBondContact OD1-CD1 3.37Å; K314-F346 HydrophobicContact CG-CE1 4.13Å; F346-N348 VanDerWaalsContact C-N 3.25Å; F346-N348 PolarHBondContact O-N 2.98Å
347	C	84.8	Confident	78.8	Confident	26 Å²	26	74.4 Å²	74.4	18%	0.176	40%	0.402	C	S	.	.	S	Bend	trans	-65.5	-31.2	-171	-55.8	0	0	0	0	112.4	C259 Q310 V311 D312	C259-C347 WeakPolarHBondContact CA-SG 3.38Å; C259-C347 HydrophobicContact CB-CB 3.95Å; C259-C347 WeakPolarHBondContact CB-SG 2.88Å; C259-C347 WeakPolarHBondContact SG-CA 3.32Å; C259-C347 WeakPolarHBondContact SG-CB 3.17Å; C259-C347 CovalentContact SG-SG 2.03Å; C259-C347 PolarHBondContact SG-SG 2.67Å; Q310-C347 HydrophobicContact CB-CB 3.97Å; V311-C347 PolarHBondContact N-SG 3.27Å; V311-C347 VanDerWaalsContact N-SG 3.38Å; V311-C347 PolarHBondContact O-SG 3.19Å; D312-C347 PolarHBondContact OD1-N 2.91Å; D312-C347 PolarHBondContact OD1-SG 3.21Å
348	N	80.6	Confident	78.5	Confident	105 Å²	105	76.8 Å²	76.8	56%	0.561	42%	0.419	S	S	*	.	S	Bend	trans	-110.4	137.7	179.2	-69.8	-44.4	0	0	0	111.5	F346 D350	F346-N348 VanDerWaalsContact C-N 3.25Å; F346-N348 PolarHBondContact O-N 2.98Å; N348-D350 PolarHBondContact O-N 2.76Å
349	K	64.7	Low	78.4	Confident	202 Å²	202	80.2 Å²	80.2	88%	0.878	44%	0.436	S	S	*	.	S	Bend	trans	-69.8	-9.3	175.7	-68.7	-174.1	179.2	-179.3	0	114	T351	K349-T351 PolarHBondContact O-N 3.01Å
350	D	61.3	Low	78.4	Confident	149 Å²	149	78.3 Å²	78.3	80%	0.797	43%	0.426	S	S	*	.	S	Bend	trans	-68.9	78.7	162.8	-68.7	-32.3	0	0	0	106.6	N348 E352	N348-D350 PolarHBondContact O-N 2.76Å; D350-E352 PolarHBondContact O-N 3.36Å
351	T	53.1	Low	78.4	Confident	110 Å²	110	81.1 Å²	81.1	68%	0.675	44%	0.441	S	S	*	.			trans	-55.3	103.1	-179.9	52	0	0	0	0	107.3	K349 P353	K349-T351 PolarHBondContact O-N 3.01Å; T351-P353 VanDerWaalsContact O-CD 3.29Å; T351-P353 WeakPolarHBondContact O-CD 2.88Å; T351-P353 VanDerWaalsContact O-N 3.1Å
352	E	54.3	Low	78.3	Confident	122 Å²	122	79.2 Å²	79.2	57%	0.57	43%	0.428	S	S	*	.			trans	-57.7	119.8	155.9	-88.5	-164.7	176.3	0	0	105.4	K314 D350 T354	K314-E352 IonicContact NZ-OE1 3.75Å; K314-E352 IonicContact NZ-OE2 3.9Å; K314-E352 PolarHBondContact NZ-OE2 2.82Å; D350-E352 PolarHBondContact O-N 3.36Å; E352-T354 PolarHBondContact O-N 2.77Å; E352-T354 VanDerWaalsContact O-N 3.16Å
353	P	55.7	Low	78.2	Confident	111 Å²	111	82 Å²	82	72%	0.721	44%	0.443	S	S	*	.			trans	-59.3	128.6	-176.3	21.2	-29.9	0	0	0	108	T351 F355	T351-P353 VanDerWaalsContact O-CD 3.29Å; T351-P353 WeakPolarHBondContact O-CD 2.88Å; T351-P353 VanDerWaalsContact O-N 3.1Å; P353-F355 PolarHBondContact O-N 3.04Å
354	T	61.9	Low	78.3	Confident	129 Å²	129	80 Å²	80	79%	0.791	43%	0.429	S	S	*	.			trans	-57.8	106.8	168.1	44	0	0	0	0	107.2	E352 D356	E352-T354 PolarHBondContact O-N 2.77Å; E352-T354 VanDerWaalsContact O-N 3.16Å; T354-D356 PolarHBondContact O-N 2.85Å
355	F	74.2	Confident	78.4	Confident	61 Å²	61	79 Å²	79	27%	0.268	42%	0.418	S	S	.	.			trans	-81.1	112.5	177.8	175.3	-101.6	0	0	0	108.3	P353 P357 I359 L425 P426 F431	P353-F355 PolarHBondContact O-N 3.04Å; F355-P357 HydrophobicContact CE1-CB 4.11Å; F355-P357 VanDerWaalsContact O-CD 3.31Å; F355-P357 WeakPolarHBondContact O-CD 3.49Å; F355-I359 HydrophobicContact CE2-CG2 3.76Å; F355-I359 HydrophobicContact CZ-CG2 3.65Å; F355-L425 HydrophobicContact CE1-CD2 4.25Å; F355-L425 HydrophobicContact CZ-CD2 3.7Å; F355-P426 HydrophobicContact CB-CG 4.03Å; F355-P426 HydrophobicContact CD1-CG 3.61Å; F355-P426 HydrophobicContact CD2-CG 4.07Å; F355-P426 VanDerWaalsContact CE1-CD 3.49Å; F355-P426 HydrophobicContact CE1-CG 4.05Å; F355-P426 HydrophobicContact CE2-CG 4.47Å; F355-P426 HydrophobicContact CG-CG 3.61Å; F355-P426 HydrophobicContact CZ-CG 4.47Å; F355-F431 HydrophobicContact CD1-CE1 4.17Å; F355-F431 HydrophobicContact CD1-CZ 4.39Å; F355-F431 AromaticContact CE1-CE1 3.75Å; F355-F431 HydrophobicContact CE1-CE1 3.75Å; F355-F431 HydrophobicContact CE1-CZ 4.06Å
356	D	81.3	Confident	78.4	Confident	97 Å²	97	77.8 Å²	77.8	52%	0.519	43%	0.426	S	S	.	.			trans	-79.9	111.4	170	-176.5	0.9	0	0	0	109.5	T354 S358 I359	T354-D356 PolarHBondContact O-N 2.85Å; D356-S358 PolarHBondContact O-N 2.92Å; D356-S358 VanDerWaalsContact O-N 3.17Å; D356-S358 WeakPolarHBondContact OD1-CB 3.35Å; D356-S358 PolarHBondContact OD1-N 3.5Å; D356-S358 PolarHBondContact OD1-OG 2.71Å; D356-S358 VanDerWaalsContact OD1-OG 3.05Å; D356-S358 PolarHBondContact OD2-OG 2.98Å; D356-I359 WeakPolarHBondContact O-CG2 3.21Å; D356-I359 PolarHBondContact O-N 2.95Å
357	P	84.4	Confident	78.6	Confident	18 Å²	18	76 Å²	76	12%	0.117	42%	0.424	C	S	.	.	G	3₁₀ helix	trans	-63.9	-18.3	178.3	32.8	-40.5	0	0	0	112.6	F355 I359 A360 F431 L511 L513	F355-P357 HydrophobicContact CE1-CB 4.11Å; F355-P357 VanDerWaalsContact O-CD 3.31Å; F355-P357 WeakPolarHBondContact O-CD 3.49Å; P357-I359 PolarHBondContact O-N 2.83Å; P357-A360 PolarHBondContact O-N 2.88Å; P357-F431 HydrophobicContact CB-CE1 4.48Å; P357-L511 HydrophobicContact CB-CB 4.44Å; P357-L511 HydrophobicContact CB-CD2 4.29Å; P357-L511 HydrophobicContact CB-CG 4.31Å; P357-L511 WeakPolarHBondContact CB-O 3.45Å; P357-L513 HydrophobicContact CB-CG 4.5Å; P357-L513 HydrophobicContact CG-CG 4.08Å
358	S	86.6	Confident	78.8	Confident	50 Å²	50	76.9 Å²	76.9	35%	0.35	43%	0.427	S	S	.	.	G	3₁₀ helix	trans	-60.3	-17.8	179.3	85.7	0	0	0	0	113.4	D356 A360 N361	D356-S358 PolarHBondContact O-N 2.92Å; D356-S358 VanDerWaalsContact O-N 3.17Å; D356-S358 WeakPolarHBondContact OD1-CB 3.35Å; D356-S358 PolarHBondContact OD1-N 3.5Å; D356-S358 PolarHBondContact OD1-OG 2.71Å; D356-S358 VanDerWaalsContact OD1-OG 3.05Å; D356-S358 PolarHBondContact OD2-OG 2.98Å; S358-A360 PolarHBondContact O-N 3.1Å; S358-A360 VanDerWaalsContact O-N 3.09Å; S358-N361 VanDerWaalsContact O-CB 3.23Å; S358-N361 WeakPolarHBondContact O-CB 3.48Å; S358-N361 PolarHBondContact O-N 3.29Å
359	I	89.3	Confident	79.4	Confident	72 Å²	72	75 Å²	75	37%	0.369	42%	0.421	S	S	.	.	G	3₁₀ helix	trans	-56.2	-25.6	172.6	-161.8	172	0	0	0	112.9	F355 D356 P357 L370 P423	F355-I359 HydrophobicContact CE2-CG2 3.76Å; F355-I359 HydrophobicContact CZ-CG2 3.65Å; D356-I359 WeakPolarHBondContact O-CG2 3.21Å; D356-I359 PolarHBondContact O-N 2.95Å; P357-I359 PolarHBondContact O-N 2.83Å; I359-L370 HydrophobicContact CD1-CD1 3.99Å; I359-L370 HydrophobicContact CG1-CD1 3.29Å; I359-P423 HydrophobicContact CG1-CG 4.47Å
360	A	91.4	Very high	80.7	Confident	0 Å²	0	70.2 Å²	70.2	0%	0	41%	0.405	C	S	.	.	G	3₁₀ helix	trans	-94.5	0.4	176.8	0	0	0	0	0	113.4	P357 S358 Y371 L425 M489 L511	P357-A360 PolarHBondContact O-N 2.88Å; S358-A360 PolarHBondContact O-N 3.1Å; S358-A360 VanDerWaalsContact O-N 3.09Å; A360-Y371 VanDerWaalsContact O-CE2 3.26Å; A360-Y371 WeakPolarHBondContact O-CE2 3.47Å; A360-Y371 PolarHBondContact O-OH 3.47Å; A360-L425 HydrophobicContact CB-CD2 4.24Å; A360-M489 HydrophobicContact CB-CE 4Å; A360-L511 HydrophobicContact CB-CB 4.02Å; A360-L511 HydrophobicContact CB-CD2 3.72Å; A360-L511 HydrophobicContact CB-CG 4.5Å
361	N	93.6	Very high	82.2	Confident	64 Å²	64	63.5 Å²	63.5	34%	0.342	37%	0.368	S	S	.	.			trans	-73	142.3	175.9	-63.8	-1.2	0	0	0	110.4	S358 I509 S510 L511	S358-N361 VanDerWaalsContact O-CB 3.23Å; S358-N361 WeakPolarHBondContact O-CB 3.48Å; S358-N361 PolarHBondContact O-N 3.29Å; N361-I509 CarbonylContact C-O 3.01Å; N361-I509 WeakPolarHBondContact CA-O 3.24Å; N361-S510 WeakPolarHBondContact OD1-CA 3.46Å; N361-L511 PolarHBondContact OD1-N 2.78Å
362	C	92.8	Very high	84	Confident	5 Å²	5	61.9 Å²	61.9	3%	0.034	36%	0.359	C	S	.	.	B	Isolated β-bridge	trans	-160.2	120.7	173.5	-163.1	0	0	0	0	111.8	F364 C369 Y371 I509	C362-F364 HydrophobicContact CB-CD1 4.45Å; C362-F364 HydrophobicContact CB-CE1 4.13Å; C362-F364 HydrophobicContact CB-CZ 4.26Å; C362-F364 WeakPolarHBondContact SG-CD1 3.23Å; C362-F364 WeakPolarHBondContact SG-CE1 3.2Å; C362-C369 WeakPolarHBondContact CA-SG 3.47Å; C362-C369 HydrophobicContact CB-CB 3.72Å; C362-C369 WeakPolarHBondContact CB-SG 3.42Å; C362-C369 WeakPolarHBondContact SG-CB 3.08Å; C362-C369 CovalentContact SG-SG 2.04Å; C362-C369 PolarHBondContact SG-SG 3.18Å; C362-Y371 HydrophobicContact CB-CD2 3.88Å; C362-Y371 HydrophobicContact CB-CE2 3.72Å; C362-I509 PolarHBondContact N-O 2.84Å; C362-I509 PolarHBondContact O-N 2.91Å
363	D	88.7	Confident	85.6	Confident	70 Å²	70	58 Å²	58	37%	0.374	34%	0.34	S	S	.	.			trans	-93.4	-1	170.8	63.5	1.7	0	0	0	112.4	E365	D363-E365 HydrophobicContact CB-CG 4.48Å; D363-E365 PolarHBondContact O-N 3.44Å; D363-E365 PolarHBondContact OD1-N 2.8Å; D363-E365 VanDerWaalsContact OD1-N 3.08Å
364	F	91.3	Very high	86.5	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	33%	0.332	C	S	.	.	S	Bend	trans	57.6	9.8	-177.7	-54.3	-70.2	0	0	0	116.8	C362 S366 G367 L368 R383 S402 L404 L506 I509	C362-F364 HydrophobicContact CB-CD1 4.45Å; C362-F364 HydrophobicContact CB-CE1 4.13Å; C362-F364 HydrophobicContact CB-CZ 4.26Å; C362-F364 WeakPolarHBondContact SG-CD1 3.23Å; C362-F364 WeakPolarHBondContact SG-CE1 3.2Å; F364-S366 PolarHBondContact O-N 3.24Å; F364-G367 WeakPolarHBondContact CA-O 3.41Å; F364-G367 PolarHBondContact O-N 3.26Å; F364-L368 HydrophobicContact CD1-CD2 4.42Å; F364-R383 PolarHBondContact O-NE 2.84Å; F364-S402 CarbonylContact C-O 3.31Å; F364-S402 VanDerWaalsContact CB-O 3.3Å; F364-S402 WeakPolarHBondContact CB-O 3.25Å; F364-L404 HydrophobicContact CD1-CD1 3.87Å; F364-L404 HydrophobicContact CD1-CD2 4.16Å; F364-L404 HydrophobicContact CD1-CG 3.64Å; F364-L404 HydrophobicContact CD2-CG 4.13Å; F364-L404 HydrophobicContact CE1-CD1 3.29Å; F364-L404 HydrophobicContact CE1-CD2 4.41Å; F364-L404 HydrophobicContact CE1-CG 3.6Å; F364-L404 HydrophobicContact CE2-CD1 4.18Å; F364-L404 HydrophobicContact CE2-CG 4.08Å; F364-L404 HydrophobicContact CG-CG 3.91Å; F364-L404 HydrophobicContact CZ-CD1 3.46Å; F364-L404 VanDerWaalsContact CZ-CD1 3.46Å; F364-L404 HydrophobicContact CZ-CG 3.81Å; F364-L506 HydrophobicContact CE2-CG 4.47Å; F364-I509 HydrophobicContact CE2-CD1 4.06Å; F364-I509 HydrophobicContact CE2-CG1 4.22Å; F364-I509 HydrophobicContact CZ-CD1 3.63Å; F364-I509 HydrophobicContact CZ-CG1 4.28Å
365	E	86.9	Confident	86.5	Confident	56 Å²	56	61.9 Å²	61.9	26%	0.262	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-34.8	-176.4	-72.6	-57.1	164.7	0	0	113.2	D363 R383 G401 S402	D363-E365 HydrophobicContact CB-CG 4.48Å; D363-E365 PolarHBondContact O-N 3.44Å; D363-E365 PolarHBondContact OD1-N 2.8Å; D363-E365 VanDerWaalsContact OD1-N 3.08Å; E365-R383 PolarHBondContact O-NH2 2.91Å; E365-G401 WeakPolarHBondContact OE1-CA 3.21Å; E365-S402 VanDerWaalsContact CD-N 3.29Å; E365-S402 PolarHBondContact OE1-N 3.3Å; E365-S402 WeakPolarHBondContact OE2-CB 3.07Å; E365-S402 PolarHBondContact OE2-N 3.02Å; E365-S402 VanDerWaalsContact OE2-N 3.14Å; E365-S402 PolarHBondContact OE2-OG 3.34Å
366	S	85.6	Confident	85.7	Confident	128 Å²	128	63.9 Å²	63.9	90%	0.895	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106	10.3	179.6	-65.2	0	0	0	0	114.1	F364	F364-S366 PolarHBondContact O-N 3.24Å
367	G	88	Confident	84.5	Confident	20 Å²	20	62.7 Å²	62.7	21%	0.206	35%	0.351	C	S	.	.	S	Bend	trans	137.8	-141	177.9	0	0	0	0	0	113.3	F364	F364-G367 WeakPolarHBondContact CA-O 3.41Å; F364-G367 PolarHBondContact O-N 3.26Å
368	L	89.2	Confident	83	Confident	45 Å²	45	67.1 Å²	67.1	24%	0.236	39%	0.389	C	S	.	.	S	Bend	trans	-95.2	8.5	175.3	-63.5	179.7	0	0	0	112.8	F364 L370 Y371 Q373 L404	F364-L368 HydrophobicContact CD1-CD2 4.42Å; L368-L370 PolarHBondContact O-N 2.95Å; L368-Y371 WeakPolarHBondContact O-CA 3.3Å; L368-Y371 VanDerWaalsContact O-CB 3.26Å; L368-Y371 WeakPolarHBondContact O-CB 3.49Å; L368-Y371 PolarHBondContact O-N 3.26Å; L368-Q373 HydrophobicContact CD1-CG 4.1Å; L368-L404 HydrophobicContact CD2-CD1 4.2Å; L368-L404 HydrophobicContact CD2-CD2 3.6Å; L368-L404 HydrophobicContact CD2-CG 4.43Å
369	C	92.3	Very high	81.9	Confident	66 Å²	66	65.9 Å²	65.9	45%	0.446	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.8	-125.3	-170.5	-44.3	0	0	0	0	110.1	C362	C362-C369 WeakPolarHBondContact CA-SG 3.47Å; C362-C369 HydrophobicContact CB-CB 3.72Å; C362-C369 WeakPolarHBondContact CB-SG 3.42Å; C362-C369 WeakPolarHBondContact SG-CB 3.08Å; C362-C369 CovalentContact SG-SG 2.04Å; C362-C369 PolarHBondContact SG-SG 3.18Å
370	L	92.4	Very high	81.2	Confident	101 Å²	101	64.2 Å²	64.2	53%	0.529	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	10.7	174.4	-60.4	174.8	0	0	0	113.6	I359 L368 P423	I359-L370 HydrophobicContact CD1-CD1 3.99Å; I359-L370 HydrophobicContact CG1-CD1 3.29Å; L368-L370 PolarHBondContact O-N 2.95Å; L370-P423 HydrophobicContact CB-CG 3.43Å; L370-P423 VanDerWaalsContact CB-CG 3.43Å; L370-P423 HydrophobicContact CD1-CG 4.3Å
371	Y	93.1	Very high	80.9	Confident	8 Å²	8	64.4 Å²	64.4	3%	0.031	38%	0.376	C	S	.	.			trans	-77.1	143.8	174.5	-73.7	-99.6	0	0	0	111.7	A360 C362 L368 V420 I421 F491 I509	A360-Y371 VanDerWaalsContact O-CE2 3.26Å; A360-Y371 WeakPolarHBondContact O-CE2 3.47Å; A360-Y371 PolarHBondContact O-OH 3.47Å; C362-Y371 HydrophobicContact CB-CD2 3.88Å; C362-Y371 HydrophobicContact CB-CE2 3.72Å; L368-Y371 WeakPolarHBondContact O-CA 3.3Å; L368-Y371 VanDerWaalsContact O-CB 3.26Å; L368-Y371 WeakPolarHBondContact O-CB 3.49Å; L368-Y371 PolarHBondContact O-N 3.26Å; Y371-V420 HydrophobicContact CD1-CG2 3.93Å; Y371-V420 HydrophobicContact CG-CG2 4.16Å; Y371-I421 CarbonylContact C-O 3.52Å; Y371-I421 VanDerWaalsContact CA-O 3.31Å; Y371-I421 WeakPolarHBondContact CA-O 3.35Å; Y371-I421 WeakPolarHBondContact CD1-O 3.34Å; Y371-F491 HydrophobicContact CE1-CD2 4.3Å; Y371-F491 HydrophobicContact CE1-CE2 4.05Å; Y371-I509 HydrophobicContact CE1-CD1 4.01Å; Y371-I509 HydrophobicContact CE2-CD1 4.2Å; Y371-I509 VanDerWaalsContact OH-CG2 3.32Å; Y371-I509 WeakPolarHBondContact OH-CG2 3.44Å
372	T	91.3	Very high	80.5	Confident	77 Å²	77	70 Å²	70	47%	0.472	39%	0.393	S	S	.	.	B	Isolated β-bridge	trans	-120.6	147.7	-178.4	57.1	0	0	0	0	111	I421	T372-I421 PolarHBondContact N-O 2.87Å; T372-I421 PolarHBondContact O-N 2.87Å; T372-I421 PolarHBondContact OG1-O 3.09Å
373	Q	87.5	Confident	80.2	Confident	40 Å²	40	74.6 Å²	74.6	19%	0.187	41%	0.409	C	S	.	.			trans	-136.8	144.7	174.4	58.3	176.8	-7.8	0	0	110	L368 R375 W381	L368-Q373 HydrophobicContact CD1-CG 4.1Å; Q373-R375 PolarHBondContact O-N 3.39Å; Q373-W381 PolarHBondContact NE2-O 3.31Å; Q373-W381 VanDerWaalsContact OE1-N 3.1Å; Q373-W381 PolarHBondContact OE1-O 2.93Å; Q373-W381 VanDerWaalsContact OE1-O 3.08Å
374	D	74	Confident	80	Confident	101 Å²	101	73.5 Å²	73.5	54%	0.54	41%	0.405	S	S	.	.			trans	-77.5	108.9	177.4	-171.6	-10.9	0	0	0	109.9	S376	D374-S376 PolarHBondContact O-N 3.46Å; D374-S376 VanDerWaalsContact OD1-CB 3.28Å; D374-S376 WeakPolarHBondContact OD1-CB 3.21Å; D374-S376 PolarHBondContact OD1-N 2.78Å; D374-S376 PolarHBondContact OD1-OG 3.01Å; D374-S376 PolarHBondContact OD2-OG 2.79Å
375	R	63.6	Low	79.5	Confident	221 Å²	221	76.8 Å²	76.8	83%	0.834	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-8.3	180	-71.1	-174.3	170.6	-173.1	-2.2	113.5	Q373 V377	Q373-R375 PolarHBondContact O-N 3.39Å; R375-V377 VanDerWaalsContact C-N 3.33Å
376	S	56.8	Low	79	Confident	103 Å²	103	75.8 Å²	75.8	72%	0.72	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-15.9	-179.7	71.6	0	0	0	0	113.5	D374	D374-S376 PolarHBondContact O-N 3.46Å; D374-S376 VanDerWaalsContact OD1-CB 3.28Å; D374-S376 WeakPolarHBondContact OD1-CB 3.21Å; D374-S376 PolarHBondContact OD1-N 2.78Å; D374-S376 PolarHBondContact OD1-OG 3.01Å; D374-S376 PolarHBondContact OD2-OG 2.79Å
377	V	56.4	Low	78.1	Confident	72 Å²	72	78.2 Å²	78.2	44%	0.436	42%	0.42	S	S	.	.	S	Bend	trans	-94.7	130.2	178.2	-170.7	0	0	0	0	109.5	R375 S379	R375-V377 VanDerWaalsContact C-N 3.33Å; V377-S379 PolarHBondContact O-N 3.17Å
378	A	51.8	Low	76.7	Confident	110 Å²	110	81.2 Å²	81.2	91%	0.909	44%	0.436	S	S	*	.	S	Bend	trans	-61.6	-2.6	-178.9	0	0	0	0	0	115.2
379	S	64.1	Low	75.4	Confident	24 Å²	24	82 Å²	82	17%	0.168	44%	0.44	C	S	.	.			trans	-123.5	93.3	177.3	60.9	0	0	0	0	110.2	V377 V417 N418	V377-S379 PolarHBondContact O-N 3.17Å; S379-V417 PolarHBondContact OG-N 2.66Å; S379-V417 PolarHBondContact OG-O 2.81Å; S379-N418 WeakPolarHBondContact CA-OD1 3.27Å; S379-N418 WeakPolarHBondContact CB-OD1 3.28Å; S379-N418 PolarHBondContact O-OD1 2.82Å
380	S	73.9	Confident	73.7	Confident	38 Å²	38	81.8 Å²	81.8	27%	0.266	43%	0.434	S	S	.	.			trans	-116	155.4	173.4	75.2	0	0	0	0	110.9	N418	S380-N418 VanDerWaalsContact C-OD1 3.29Å; S380-N418 WeakPolarHBondContact CA-OD1 3.45Å; S380-N418 PolarHBondContact N-OD1 2.88Å; S380-N418 VanDerWaalsContact N-OD1 3.12Å; S380-N418 PolarHBondContact O-OD1 3.22Å
381	W	84.8	Confident	72	Confident	3 Å²	3	85 Å²	85	1%	0.011	44%	0.444	C	S	.	.			trans	-63.1	138.7	170.8	-71.5	89.7	0	0	0	109.5	Q373 L404 A406 N418 V420 L449 F491 V504 L506	Q373-W381 PolarHBondContact NE2-O 3.31Å; Q373-W381 VanDerWaalsContact OE1-N 3.1Å; Q373-W381 PolarHBondContact OE1-O 2.93Å; Q373-W381 VanDerWaalsContact OE1-O 3.08Å; W381-L404 HydrophobicContact CB-CD1 4.21Å; W381-L404 HydrophobicContact CB-CD2 4.42Å; W381-L404 HydrophobicContact CD2-CB 4.49Å; W381-L404 HydrophobicContact CE3-CB 3.76Å; W381-L404 HydrophobicContact CZ3-CB 4.33Å; W381-A406 HydrophobicContact CD2-CB 3.91Å; W381-A406 HydrophobicContact CE3-CB 3.6Å; W381-A406 HydrophobicContact CH2-CB 4Å; W381-A406 HydrophobicContact CZ2-CB 4.24Å; W381-A406 HydrophobicContact CZ3-CB 3.67Å; W381-N418 HydrophobicContact CD2-CB 4.36Å; W381-N418 HydrophobicContact CG-CB 4.17Å; W381-N418 PolarHBondContact NE1-O 3.26Å; W381-V420 HydrophobicContact CG-CB 4.38Å; W381-V420 HydrophobicContact CG-CG1 4.4Å; W381-L449 HydrophobicContact CH2-CD1 4.16Å; W381-L449 HydrophobicContact CZ2-CD1 4.12Å; W381-F491 PolarHBondContact NE1-O 2.94Å; W381-V504 HydrophobicContact CH2-CB 4.08Å; W381-V504 HydrophobicContact CH2-CG1 3.65Å; W381-V504 HydrophobicContact CZ3-CB 4.38Å; W381-V504 HydrophobicContact CZ3-CG1 4.18Å; W381-V504 WeakPolarHBondContact CZ3-O 3.41Å; W381-L506 HydrophobicContact CH2-CB 3.9Å; W381-L506 HydrophobicContact CH2-CD2 4.43Å; W381-L506 HydrophobicContact CZ3-CB 3.73Å
382	R	85.6	Confident	70.6	Confident	182 Å²	182	92.9 Å²	92.9	69%	0.687	47%	0.474	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.7	125.6	178.7	-63.9	-174.4	-179.7	-169	-0.7	109.2	L405	R382-L405 PolarHBondContact N-O 3.49Å; R382-L405 PolarHBondContact O-N 2.78Å
383	R	87.3	Confident	69.2	Low	101 Å²	101	92.1 Å²	92.1	38%	0.381	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	126.6	169.4	-175.3	-178.2	165.5	-74.9	4.6	108.8	F364 E365 S385 S402 F403 L404	F364-R383 PolarHBondContact O-NE 2.84Å; E365-R383 PolarHBondContact O-NH2 2.91Å; R383-S385 PolarHBondContact NH1-OG 2.95Å; R383-S402 VanDerWaalsContact CZ-CB 3.44Å; R383-S402 VanDerWaalsContact NH2-CB 3.29Å; R383-S402 PolarHBondContact NH2-OG 2.87Å; R383-F403 WeakPolarHBondContact CA-O 3.02Å; R383-L404 HydrophobicContact CB-CD2 3.98Å
384	V	84.2	Confident	68.3	Low	47 Å²	47	90.3 Å²	90.3	29%	0.285	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	128.9	-179.2	-179.9	0	0	0	0	108	V386 S402 F403 L405	V384-V386 HydrophobicContact CG1-CG2 4.01Å; V384-S402 VanDerWaalsContact O-CA 3.29Å; V384-S402 WeakPolarHBondContact O-CA 3.24Å; V384-F403 PolarHBondContact N-O 3.22Å; V384-F403 PolarHBondContact O-N 3.31Å; V384-L405 HydrophobicContact CG2-CB 3.77Å; V384-L405 HydrophobicContact CG2-CD2 4.02Å
385	S	81.4	Confident	68.2	Low	70 Å²	70	85.7 Å²	85.7	49%	0.49	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	132.8	174.7	-57.7	0	0	0	0	110.3	R383 G401 S402	R383-S385 PolarHBondContact NH1-OG 2.95Å; S385-G401 CarbonylContact C-O 3.28Å; S385-G401 WeakPolarHBondContact CA-O 2.98Å; S385-S402 WeakPolarHBondContact OG-CB 3.46Å; S385-S402 PolarHBondContact OG-OG 3.3Å
386	V	75	Confident	68.7	Low	34 Å²	34	75.7 Å²	75.7	21%	0.206	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	132.3	-173.5	-157.7	0	0	0	0	109.9	V384 A400 G401 F403	V384-V386 HydrophobicContact CG1-CG2 4.01Å; V386-A400 WeakPolarHBondContact O-CA 3.02Å; V386-G401 PolarHBondContact N-O 3.49Å; V386-G401 PolarHBondContact O-N 3.47Å; V386-F403 HydrophobicContact CG2-CD1 4.49Å; V386-F403 HydrophobicContact CG2-CE1 3.49Å; V386-F403 VanDerWaalsContact CG2-CE1 3.49Å; V386-F403 HydrophobicContact CG2-CZ 3.98Å
387	K	68	Low	69.4	Low	180 Å²	180	72.1 Å²	72.1	78%	0.783	37%	0.371	S	S	*	.			trans	-81.6	155.2	168	-68.7	-174	179.4	-178.4	0	110	N389	K387-N389 PolarHBondContact O-N 2.96Å; K387-N389 VanDerWaalsContact O-N 3.11Å
388	P	58.8	Low	69.7	Low	82 Å²	82	70.3 Å²	70.3	53%	0.532	36%	0.36	S	S	.	.			trans	-53.4	123.1	176.9	-15.2	24	0	0	0	109.7	A400 L640	P388-A400 VanDerWaalsContact CD-CB 3.45Å; P388-A400 HydrophobicContact CG-CB 3.67Å; P388-L640 HydrophobicContact CB-CD2 4.33Å
389	N	61.8	Low	70.3	Confident	63 Å²	63	65.1 Å²	65.1	34%	0.337	32%	0.317	S	S	.	.	B	Isolated β-bridge	trans	-131.6	130.9	-178.1	-175.6	-16.9	0	0	0	109.4	K387 F391 S636	K387-N389 PolarHBondContact O-N 2.96Å; K387-N389 VanDerWaalsContact O-N 3.11Å; N389-F391 PolarHBondContact O-N 2.82Å; N389-F391 VanDerWaalsContact O-N 3.07Å; N389-F391 WeakPolarHBondContact OD1-CD2 3.29Å; N389-F391 PolarHBondContact OD1-N 2.79Å; N389-S636 PolarHBondContact O-OG 2.99Å
390	I	56.5	Low	70.6	Confident	61 Å²	61	65 Å²	65	31%	0.313	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-21.8	177.5	-56.4	169.3	0	0	0	111.9	Y608 E634 V637	I390-Y608 HydrophobicContact CG2-CE2 4.5Å; I390-E634 HydrophobicContact CG2-CG 4.2Å; I390-V637 WeakPolarHBondContact O-CG1 3.24Å; I390-V637 WeakPolarHBondContact O-CG2 3.17Å
391	F	56.5	Low	70.9	Confident	167 Å²	167	64 Å²	64	73%	0.732	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.8	-7.2	-171.1	-54.8	-69.3	0	0	0	115.8	N389	N389-F391 PolarHBondContact O-N 2.82Å; N389-F391 VanDerWaalsContact O-N 3.07Å; N389-F391 WeakPolarHBondContact OD1-CD2 3.29Å; N389-F391 PolarHBondContact OD1-N 2.79Å
392	R	62.9	Low	71	Confident	175 Å²	175	64 Å²	64	66%	0.66	31%	0.314	S	S	*	.	B	Isolated β-bridge	trans	-133.8	140.1	-178.8	-75.4	-168.8	179.9	-167.3	5.2	110.8	G394	R392-G394 PolarHBondContact O-N 2.92Å
393	N	63	Low	71.1	Confident	60 Å²	60	56.1 Å²	56.1	32%	0.321	29%	0.285	S	S	.	.			trans	-63.7	128.5	169.9	-64.9	2.7	0	0	0	108.4	G472	N393-G472 PolarHBondContact ND2-O 3.24Å
394	G	68.4	Low	71.2	Confident	3 Å²	3	51.3 Å²	51.3	3%	0.031	27%	0.266	C	S	.	.			trans	-89.7	-161.7	178.9	0	0	0	0	0	112	R392 W474	R392-G394 PolarHBondContact O-N 2.92Å; G394-W474 PolarHBondContact O-NE1 2.81Å
395	D	71.4	Confident	71.4	Confident	3 Å²	3	51 Å²	51	2%	0.016	26%	0.263	C	S	.	.			trans	-53.2	150	167.3	178.4	71.8	0	0	0	113.1	T397 T398 G399 A400 S402 F403	D395-T397 WeakPolarHBondContact OD2-CA 3.17Å; D395-T397 WeakPolarHBondContact OD2-CB 3.5Å; D395-T397 PolarHBondContact OD2-N 3.12Å; D395-T398 PolarHBondContact OD2-N 3.35Å; D395-G399 WeakPolarHBondContact O-CA 3.11Å; D395-G399 PolarHBondContact O-N 3.48Å; D395-G399 VanDerWaalsContact O-N 3.09Å; D395-A400 VanDerWaalsContact CB-C 3.44Å; D395-S402 PolarHBondContact OD1-N 3.03Å; D395-F403 HydrophobicContact CB-CD1 4.38Å
396	H	74.7	Confident	71.5	Confident	12 Å²	12	47.7 Å²	47.7	6%	0.056	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-48.5	178.2	178.9	-99.5	0	0	0	111.5	T398 F436 W474 D507 D508 H564	H396-T398 VanDerWaalsContact C-N 3.29Å; H396-T398 PolarHBondContact O-N 2.92Å; H396-T398 VanDerWaalsContact O-N 3.16Å; H396-F436 HydrophobicContact CB-CB 4.47Å; H396-F436 AromaticContact CD2-CD1 3.57Å; H396-F436 AromaticContact CD2-CE1 3.93Å; H396-F436 AromaticContact CE1-CD1 3.32Å; H396-F436 WeakPolarHBondContact CE1-CD1 3.48Å; H396-F436 AromaticContact CE1-CD2 3.84Å; H396-F436 AromaticContact CE1-CE1 3.07Å; H396-F436 WeakPolarHBondContact CE1-CE1 3.47Å; H396-F436 AromaticContact CE1-CE2 3.63Å; H396-F436 AromaticContact CE1-CG 3.67Å; H396-F436 AromaticContact CE1-CZ 3.24Å; H396-F436 WeakPolarHBondContact CE1-CZ 3.42Å; H396-F436 AromaticContact CG-CD1 3.81Å; H396-F436 AromaticContact CG-CG 3.87Å; H396-F436 AromaticContact ND1-CD1 3.66Å; H396-F436 AromaticContact ND1-CD2 3.76Å; H396-F436 AromaticContact ND1-CE1 3.87Å; H396-F436 AromaticContact ND1-CE2 3.96Å; H396-F436 AromaticContact ND1-CG 3.59Å; H396-F436 AromaticContact NE2-CD1 3.22Å; H396-F436 WeakPolarHBondContact NE2-CD1 3.15Å; H396-F436 AromaticContact NE2-CE1 3.07Å; H396-F436 WeakPolarHBondContact NE2-CE1 3.29Å; H396-F436 AromaticContact NE2-CG 3.97Å; H396-F436 AromaticContact NE2-CZ 3.74Å; H396-W474 HydrophobicContact CB-CD2 3.85Å; H396-W474 HydrophobicContact CB-CE3 4.29Å; H396-W474 HydrophobicContact CB-CG 3.92Å; H396-W474 AromaticContact CD2-CG 3.82Å; H396-D507 HydrophobicContact CB-CB 4.35Å; H396-D507 WeakPolarHBondContact CB-OD2 3.4Å; H396-D507 PolarHBondContact N-OD2 3.24Å; H396-D507 VanDerWaalsContact N-OD2 3.09Å; H396-D508 IonicContact CE1-OD2 3.5Å; H396-D508 IonicContact CG-OD2 3.35Å; H396-D508 IonicContact ND1-OD2 2.98Å; H396-D508 PolarHBondContact ND1-OD2 3.17Å; H396-H564 AromaticContact CE1-CE1 3.79Å; H396-H564 AromaticContact CE1-NE2 3.95Å; H396-H564 AromaticContact NE2-CE1 3.78Å; H396-H564 AromaticContact NE2-NE2 3.67Å; H396-H564 PolarHBondContact NE2-O 2.76Å; H396-H564 PolarHBondContact O-NE2 3.1Å; H396-H564 VanDerWaalsContact O-NE2 3.11Å
397	T	71	Confident	71.3	Confident	28 Å²	28	49.8 Å²	49.8	17%	0.172	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-35.4	-170.8	-38	0	0	0	0	114	D395 D508 F604 R641	D395-T397 WeakPolarHBondContact OD2-CA 3.17Å; D395-T397 WeakPolarHBondContact OD2-CB 3.5Å; D395-T397 PolarHBondContact OD2-N 3.12Å; T397-D508 PolarHBondContact N-OD2 2.97Å; T397-D508 VanDerWaalsContact OG1-CG 3.22Å; T397-D508 PolarHBondContact OG1-OD1 3.41Å; T397-D508 PolarHBondContact OG1-OD2 3.32Å; T397-D508 VanDerWaalsContact OG1-OD2 3.06Å; T397-F604 WeakPolarHBondContact O-CE1 3.14Å; T397-F604 VanDerWaalsContact O-CZ 3.23Å; T397-F604 WeakPolarHBondContact O-CZ 3.07Å; T397-R641 PolarHBondContact O-NH1 2.81Å
398	T	63.2	Low	70.9	Confident	34 Å²	34	42.4 Å²	42.4	21%	0.209	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-136.1	-6.6	179.5	95.8	0	0	0	0	116	D395 H396 A400 R641	D395-T398 PolarHBondContact OD2-N 3.35Å; H396-T398 VanDerWaalsContact C-N 3.29Å; H396-T398 PolarHBondContact O-N 2.92Å; H396-T398 VanDerWaalsContact O-N 3.16Å; T398-A400 PolarHBondContact OG1-N 3.19Å; T398-A400 PolarHBondContact OG1-O 2.94Å; T398-R641 VanDerWaalsContact CG2-CZ 3.47Å; T398-R641 PolarHBondContact O-N 2.86Å
399	G	64.8	Low	70.7	Confident	1 Å²	1	48 Å²	48	1%	0.01	23%	0.228	C	C	.	.	S	Bend	trans	81.8	-6.2	-165.4	0	0	0	0	0	113.6	D395 W639	D395-G399 WeakPolarHBondContact O-CA 3.11Å; D395-G399 PolarHBondContact O-N 3.48Å; D395-G399 VanDerWaalsContact O-N 3.09Å; G399-W639 VanDerWaalsContact CA-O 3.31Å; G399-W639 WeakPolarHBondContact CA-O 3.4Å
400	A	70.3	Confident	69.9	Low	22 Å²	22	52.6 Å²	52.6	18%	0.182	25%	0.253	C	S	.	.	S	Bend	trans	-146.9	141.9	170.3	0	0	0	0	0	109.8	V386 P388 D395 T398	V386-A400 WeakPolarHBondContact O-CA 3.02Å; P388-A400 VanDerWaalsContact CD-CB 3.45Å; P388-A400 HydrophobicContact CG-CB 3.67Å; D395-A400 VanDerWaalsContact CB-C 3.44Å; T398-A400 PolarHBondContact OG1-N 3.19Å; T398-A400 PolarHBondContact OG1-O 2.94Å
401	G	79.5	Confident	69.5	Low	15 Å²	15	52 Å²	52	16%	0.155	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	144.6	-157.6	-165.7	0	0	0	0	0	111.9	E365 S385 V386	E365-G401 WeakPolarHBondContact OE1-CA 3.21Å; S385-G401 CarbonylContact C-O 3.28Å; S385-G401 WeakPolarHBondContact CA-O 2.98Å; V386-G401 PolarHBondContact N-O 3.49Å; V386-G401 PolarHBondContact O-N 3.47Å
402	S	85.9	Confident	69	Low	5 Å²	5	50.7 Å²	50.7	4%	0.035	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	120.5	-165.7	-44.3	0	0	0	0	112	F364 E365 R383 V384 S385 D395	F364-S402 CarbonylContact C-O 3.31Å; F364-S402 VanDerWaalsContact CB-O 3.3Å; F364-S402 WeakPolarHBondContact CB-O 3.25Å; E365-S402 VanDerWaalsContact CD-N 3.29Å; E365-S402 PolarHBondContact OE1-N 3.3Å; E365-S402 WeakPolarHBondContact OE2-CB 3.07Å; E365-S402 PolarHBondContact OE2-N 3.02Å; E365-S402 VanDerWaalsContact OE2-N 3.14Å; E365-S402 PolarHBondContact OE2-OG 3.34Å; R383-S402 VanDerWaalsContact CZ-CB 3.44Å; R383-S402 VanDerWaalsContact NH2-CB 3.29Å; R383-S402 PolarHBondContact NH2-OG 2.87Å; V384-S402 VanDerWaalsContact O-CA 3.29Å; V384-S402 WeakPolarHBondContact O-CA 3.24Å; S385-S402 WeakPolarHBondContact OG-CB 3.46Å; S385-S402 PolarHBondContact OG-OG 3.3Å; D395-S402 PolarHBondContact OD1-N 3.03Å
403	F	89.3	Confident	68.5	Low	16 Å²	16	52.8 Å²	52.8	7%	0.07	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	171.6	179.3	59.3	-91.5	0	0	0	111.6	R383 V384 V386 D395 L405 W474 A505 D507	R383-F403 WeakPolarHBondContact CA-O 3.02Å; V384-F403 PolarHBondContact N-O 3.22Å; V384-F403 PolarHBondContact O-N 3.31Å; V386-F403 HydrophobicContact CG2-CD1 4.49Å; V386-F403 HydrophobicContact CG2-CE1 3.49Å; V386-F403 VanDerWaalsContact CG2-CE1 3.49Å; V386-F403 HydrophobicContact CG2-CZ 3.98Å; D395-F403 HydrophobicContact CB-CD1 4.38Å; F403-L405 HydrophobicContact CE2-CB 4.16Å; F403-L405 HydrophobicContact CE2-CD1 4.29Å; F403-W474 HydrophobicContact CB-CH2 3.92Å; F403-W474 HydrophobicContact CB-CZ2 4.29Å; F403-W474 HydrophobicContact CD1-CH2 4.46Å; F403-W474 HydrophobicContact CD1-CZ2 4.07Å; F403-W474 AromaticContact CD2-CH2 3.92Å; F403-W474 HydrophobicContact CD2-CH2 3.92Å; F403-W474 HydrophobicContact CD2-CZ2 4.17Å; F403-W474 HydrophobicContact CE1-CZ2 4.43Å; F403-W474 AromaticContact CG-CH2 3.85Å; F403-W474 HydrophobicContact CG-CH2 3.85Å; F403-W474 AromaticContact CG-CZ2 3.92Å; F403-W474 HydrophobicContact CG-CZ2 3.92Å; F403-A505 HydrophobicContact CD2-CB 3.84Å; F403-A505 HydrophobicContact CE2-CB 3.89Å; F403-D507 HydrophobicContact CB-CB 3.98Å
404	L	89.7	Confident	67.9	Low	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	129.2	174	-71.2	-170.9	0	0	0	112.2	F364 L368 W381 R383 V420 A505 L506	F364-L404 HydrophobicContact CD1-CD1 3.87Å; F364-L404 HydrophobicContact CD1-CD2 4.16Å; F364-L404 HydrophobicContact CD1-CG 3.64Å; F364-L404 HydrophobicContact CD2-CG 4.13Å; F364-L404 HydrophobicContact CE1-CD1 3.29Å; F364-L404 HydrophobicContact CE1-CD2 4.41Å; F364-L404 HydrophobicContact CE1-CG 3.6Å; F364-L404 HydrophobicContact CE2-CD1 4.18Å; F364-L404 HydrophobicContact CE2-CG 4.08Å; F364-L404 HydrophobicContact CG-CG 3.91Å; F364-L404 HydrophobicContact CZ-CD1 3.46Å; F364-L404 VanDerWaalsContact CZ-CD1 3.46Å; F364-L404 HydrophobicContact CZ-CG 3.81Å; L368-L404 HydrophobicContact CD2-CD1 4.2Å; L368-L404 HydrophobicContact CD2-CD2 3.6Å; L368-L404 HydrophobicContact CD2-CG 4.43Å; W381-L404 HydrophobicContact CB-CD1 4.21Å; W381-L404 HydrophobicContact CB-CD2 4.42Å; W381-L404 HydrophobicContact CD2-CB 4.49Å; W381-L404 HydrophobicContact CE3-CB 3.76Å; W381-L404 HydrophobicContact CZ3-CB 4.33Å; R383-L404 HydrophobicContact CB-CD2 3.98Å; L404-V420 HydrophobicContact CD1-CG1 4.32Å; L404-V420 HydrophobicContact CD1-CG2 4.31Å; L404-A505 CarbonylContact O-C 3.54Å; L404-A505 WeakPolarHBondContact O-CA 3.34Å; L404-L506 HydrophobicContact CB-CB 4.31Å; L404-L506 PolarHBondContact N-O 2.83Å; L404-L506 PolarHBondContact O-N 3.42Å
405	L	87.2	Confident	67.5	Low	39 Å²	39	56.5 Å²	56.5	20%	0.204	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	123.6	176.4	-172.2	69.2	0	0	0	111	R382 V384 F403 H407 V504 A505	R382-L405 PolarHBondContact N-O 3.49Å; R382-L405 PolarHBondContact O-N 2.78Å; V384-L405 HydrophobicContact CG2-CB 3.77Å; V384-L405 HydrophobicContact CG2-CD2 4.02Å; F403-L405 HydrophobicContact CE2-CB 4.16Å; F403-L405 HydrophobicContact CE2-CD1 4.29Å; L405-H407 HydrophobicContact CD2-CB 4.39Å; L405-H407 HydrophobicContact CG-CB 4.4Å; L405-V504 WeakPolarHBondContact CA-O 3.3Å; L405-A505 HydrophobicContact CD1-CB 4.26Å
406	A	83.3	Confident	67.3	Low	1 Å²	1	57.6 Å²	57.6	1%	0.008	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	110.7	164.7	0	0	0	0	0	108.3	W381 N418 S503 V504	W381-A406 HydrophobicContact CD2-CB 3.91Å; W381-A406 HydrophobicContact CE3-CB 3.6Å; W381-A406 HydrophobicContact CH2-CB 4Å; W381-A406 HydrophobicContact CZ2-CB 4.24Å; W381-A406 HydrophobicContact CZ3-CB 3.67Å; A406-N418 HydrophobicContact CB-CB 4.09Å; A406-N418 WeakPolarHBondContact CB-ND2 3.01Å; A406-S503 CarbonylContact O-C 3.53Å; A406-S503 WeakPolarHBondContact O-CA 3.11Å; A406-V504 HydrophobicContact CB-CB 4.3Å; A406-V504 PolarHBondContact N-O 3.43Å; A406-V504 PolarHBondContact O-N 2.95Å
407	H	71.8	Confident	67.4	Low	79 Å²	79	60.1 Å²	60.1	37%	0.366	34%	0.336	S	S	.	.			trans	-114.8	154	-174.5	-161.2	78.8	0	0	0	112.8	L405 R409	L405-H407 HydrophobicContact CD2-CB 4.39Å; L405-H407 HydrophobicContact CG-CB 4.4Å; H407-R409 PolarHBondContact CD2-N 3.17Å; H407-R409 VanDerWaalsContact CD2-N 3.27Å; H407-R409 WeakPolarHBondContact NE2-CB 3.3Å; H407-R409 WeakPolarHBondContact NE2-CD 3.49Å; H407-R409 WeakPolarHBondContact NE2-CG 3.26Å; H407-R409 PolarHBondContact NE2-NE 3.44Å
408	S	60.1	Low	68	Low	25 Å²	25	59 Å²	59	18%	0.175	33%	0.328	C	S	.	.			trans	-118.8	71.8	175.7	60.6	0	0	0	0	111.6	Y416 C501 G502	S408-Y416 VanDerWaalsContact CB-CE1 3.41Å; S408-C501 VanDerWaalsContact OG-CB 3.25Å; S408-C501 WeakPolarHBondContact OG-CB 3.15Å; S408-C501 PolarHBondContact OG-O 3Å; S408-G502 PolarHBondContact OG-O 3.08Å
409	R	53.8	Low	69.2	Low	198 Å²	198	62.3 Å²	62.3	75%	0.747	34%	0.337	S	S	*	.			trans	-131.1	121.3	168.6	-80.1	-178.3	-154.9	-171.8	2.7	113	H407	H407-R409 PolarHBondContact CD2-N 3.17Å; H407-R409 VanDerWaalsContact CD2-N 3.27Å; H407-R409 WeakPolarHBondContact NE2-CB 3.3Å; H407-R409 WeakPolarHBondContact NE2-CD 3.49Å; H407-R409 WeakPolarHBondContact NE2-CG 3.26Å; H407-R409 PolarHBondContact NE2-NE 3.44Å
410	L	44.1	Very low	70.4	Confident	161 Å²	161	62.2 Å²	62.2	84%	0.843	34%	0.336	S	S	*	.	S	Bend	trans	71.5	37	153.6	-60.4	162.4	0	0	0	117
411	G	49.5	Very low	71.5	Confident	48 Å²	48	63 Å²	63	50%	0.495	34%	0.337	S	S	.	.			trans	-102.3	136.9	155.2	0	0	0	0	0	110.2	R413	G411-R413 PolarHBondContact O-N 3.25Å
412	P	44.4	Very low	72.2	Confident	140 Å²	140	62.3 Å²	62.3	91%	0.909	33%	0.33	S	S	*	.	S	Bend	trans	-70.2	12.2	-178.7	28.8	-34.7	0	0	0	114.4
413	R	53	Low	72.5	Confident	218 Å²	218	63 Å²	63	82%	0.823	33%	0.334	S	S	*	.			trans	-106.6	113.3	-176.9	-65.5	-171.9	179	-169.7	0.6	110.1	G411	G411-R413 PolarHBondContact O-N 3.25Å
414	S	51.3	Low	72.6	Confident	95 Å²	95	65.7 Å²	65.7	66%	0.664	35%	0.348	S	S	*	.	S	Bend	trans	-62.8	132.7	161.4	52.2	0	0	0	0	109.4
415	G	60	Low	72.6	Confident	47 Å²	47	65.8 Å²	65.8	49%	0.485	35%	0.348	S	S	.	.			trans	98.7	98.9	179.9	0	0	0	0	0	113.1	C495	G415-C495 CarbonylContact C-O 3.55Å; G415-C495 WeakPolarHBondContact CA-O 3.39Å
416	Y	66.9	Low	72.6	Confident	26 Å²	26	65.7 Å²	65.7	10%	0.102	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	147.1	164	68.7	-99.2	0	0	0	110.9	S408 N418 T494 C495 C501 G502	S408-Y416 VanDerWaalsContact CB-CE1 3.41Å; Y416-N418 WeakPolarHBondContact CD2-ND2 3.35Å; Y416-N418 WeakPolarHBondContact CE2-ND2 3.35Å; Y416-T494 WeakPolarHBondContact O-CA 3.35Å; Y416-C495 HydrophobicContact CD1-CB 3.68Å; Y416-C495 HydrophobicContact CD2-CB 4.4Å; Y416-C495 HydrophobicContact CE1-CB 3.17Å; Y416-C495 HydrophobicContact CE2-CB 4Å; Y416-C495 HydrophobicContact CG-CB 4.26Å; Y416-C495 PolarHBondContact N-O 3.14Å; Y416-C495 PolarHBondContact O-N 2.95Å; Y416-C501 HydrophobicContact CE1-CB 4.13Å; Y416-G502 PolarHBondContact OH-O 3.29Å; Y416-G502 VanDerWaalsContact OH-O 3.14Å
417	V	77.1	Confident	72.6	Confident	65 Å²	65	66.5 Å²	66.5	39%	0.394	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	100.8	176.4	-179.6	0	0	0	0	106.6	S379 V492 S493 T494	S379-V417 PolarHBondContact OG-N 2.66Å; S379-V417 PolarHBondContact OG-O 2.81Å; V417-V492 HydrophobicContact CG1-CG1 3.67Å; V417-S493 WeakPolarHBondContact CA-O 3.42Å; V417-T494 HydrophobicContact CG1-CG2 4.16Å; V417-T494 HydrophobicContact CG2-CG2 4.06Å
418	N	82.8	Confident	72.8	Confident	4 Å²	4	68.6 Å²	68.6	2%	0.021	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	130.5	173.4	-62.8	-62.8	0	0	0	108.2	S379 S380 W381 A406 Y416 V492 S493	S379-N418 WeakPolarHBondContact CA-OD1 3.27Å; S379-N418 WeakPolarHBondContact CB-OD1 3.28Å; S379-N418 PolarHBondContact O-OD1 2.82Å; S380-N418 VanDerWaalsContact C-OD1 3.29Å; S380-N418 WeakPolarHBondContact CA-OD1 3.45Å; S380-N418 PolarHBondContact N-OD1 2.88Å; S380-N418 VanDerWaalsContact N-OD1 3.12Å; S380-N418 PolarHBondContact O-OD1 3.22Å; W381-N418 HydrophobicContact CD2-CB 4.36Å; W381-N418 HydrophobicContact CG-CB 4.17Å; W381-N418 PolarHBondContact NE1-O 3.26Å; A406-N418 HydrophobicContact CB-CB 4.09Å; A406-N418 WeakPolarHBondContact CB-ND2 3.01Å; Y416-N418 WeakPolarHBondContact CD2-ND2 3.35Å; Y416-N418 WeakPolarHBondContact CE2-ND2 3.35Å; N418-V492 VanDerWaalsContact O-CA 3.3Å; N418-V492 WeakPolarHBondContact O-CA 3.4Å; N418-S493 PolarHBondContact N-O 3.07Å; N418-S493 PolarHBondContact O-N 2.97Å
419	R	87.8	Confident	73.6	Confident	103 Å²	103	69.3 Å²	69.3	39%	0.389	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	129	-179.2	-174.9	-178.9	-44.7	-165.7	6.8	110.4	I421 A490 F491 V492	R419-I421 HydrophobicContact CG-CD1 4.32Å; R419-I421 HydrophobicContact CG-CG1 3.87Å; R419-A490 HydrophobicContact CG-CB 4.27Å; R419-F491 WeakPolarHBondContact CA-O 3.17Å; R419-V492 HydrophobicContact CB-CG2 4.4Å; R419-V492 HydrophobicContact CG-CG2 4Å
420	V	91.6	Very high	74.9	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	134.2	168.8	64.3	0	0	0	0	108.3	Y371 W381 L404 A490 F491 L506	Y371-V420 HydrophobicContact CD1-CG2 3.93Å; Y371-V420 HydrophobicContact CG-CG2 4.16Å; W381-V420 HydrophobicContact CG-CB 4.38Å; W381-V420 HydrophobicContact CG-CG1 4.4Å; L404-V420 HydrophobicContact CD1-CG1 4.32Å; L404-V420 HydrophobicContact CD1-CG2 4.31Å; V420-A490 WeakPolarHBondContact O-CA 3.4Å; V420-F491 HydrophobicContact CG1-CB 3.74Å; V420-F491 HydrophobicContact CG1-CD2 4.35Å; V420-F491 HydrophobicContact CG1-CG 4.43Å; V420-F491 PolarHBondContact N-O 3.26Å; V420-F491 VanDerWaalsContact N-O 3.12Å; V420-F491 PolarHBondContact O-N 2.9Å; V420-L506 HydrophobicContact CG1-CD2 4.2Å
421	I	93.1	Very high	76.9	Confident	37 Å²	37	54.6 Å²	54.6	19%	0.19	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	131.5	-166.7	-52.9	177	0	0	0	109.7	Y371 T372 R419 K488 M489 A490	Y371-I421 CarbonylContact C-O 3.52Å; Y371-I421 VanDerWaalsContact CA-O 3.31Å; Y371-I421 WeakPolarHBondContact CA-O 3.35Å; Y371-I421 WeakPolarHBondContact CD1-O 3.34Å; T372-I421 PolarHBondContact N-O 2.87Å; T372-I421 PolarHBondContact O-N 2.87Å; T372-I421 PolarHBondContact OG1-O 3.09Å; R419-I421 HydrophobicContact CG-CD1 4.32Å; R419-I421 HydrophobicContact CG-CG1 3.87Å; I421-K488 HydrophobicContact CG2-CB 3.79Å; I421-K488 HydrophobicContact CG2-CD 3.74Å; I421-K488 HydrophobicContact CG2-CG 4.39Å; I421-M489 CarbonylContact C-O 3.6Å; I421-M489 WeakPolarHBondContact CA-O 3.19Å; I421-A490 HydrophobicContact CG1-CB 4.33Å
422	S	93.9	Very high	78.8	Confident	1 Å²	1	52.4 Å²	52.4	1%	0.007	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	170	178.8	77.3	0	0	0	0	113	M489	S422-M489 PolarHBondContact N-O 3.09Å; S422-M489 PolarHBondContact OG-N 3.05Å; S422-M489 PolarHBondContact OG-O 2.04Å
423	P	92.4	Very high	81.1	Confident	19 Å²	19	45.7 Å²	45.7	12%	0.123	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.5	168.4	159.8	-25.8	38	0	0	0	112.9	I359 L370	I359-P423 HydrophobicContact CG1-CG 4.47Å; L370-P423 HydrophobicContact CB-CG 3.43Å; L370-P423 VanDerWaalsContact CB-CG 3.43Å; L370-P423 HydrophobicContact CD1-CG 4.3Å
424	M	90.8	Very high	82.9	Confident	74 Å²	74	39 Å²	39	37%	0.365	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	129.2	176.4	-169.2	71.9	73.8	0	0	110.4	Q456 P486 K488	M424-Q456 HydrophobicContact CE-CG 4.01Å; M424-Q456 HydrophobicContact SD-CG 4.39Å; M424-P486 HydrophobicContact CG-CB 4.15Å; M424-P486 HydrophobicContact SD-CB 3.94Å; M424-K488 HydrophobicContact CE-CG 4.42Å; M424-K488 HydrophobicContact SD-CG 4.03Å
425	L	90.7	Very high	84.9	Confident	1 Å²	1	34.5 Å²	34.5	1%	0.005	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	144.9	172.6	-53.3	-179	0	0	0	110	F355 A360 F431 F481 P486 A487 M489 L511	F355-L425 HydrophobicContact CE1-CD2 4.25Å; F355-L425 HydrophobicContact CZ-CD2 3.7Å; A360-L425 HydrophobicContact CB-CD2 4.24Å; L425-F431 HydrophobicContact CB-CE2 4.29Å; L425-F431 HydrophobicContact CB-CZ 4.32Å; L425-F481 HydrophobicContact CD1-CE2 4.2Å; L425-F481 HydrophobicContact CD1-CZ 3.88Å; L425-P486 WeakPolarHBondContact O-CA 3.5Å; L425-A487 WeakPolarHBondContact CB-O 3.39Å; L425-A487 PolarHBondContact N-O 2.89Å; L425-A487 PolarHBondContact O-N 3.42Å; L425-M489 HydrophobicContact CD1-CE 4.02Å; L425-M489 HydrophobicContact CD1-CG 3.78Å; L425-M489 HydrophobicContact CD1-SD 3.87Å; L425-L511 HydrophobicContact CD1-CD2 3.92Å; L425-L511 HydrophobicContact CD2-CD2 3.52Å; L425-L511 HydrophobicContact CG-CD2 4.38Å
426	P	86.8	Confident	86.4	Confident	37 Å²	37	33.7 Å²	33.7	24%	0.24	17%	0.169	C	C	.	.	P	Polyproline II helix	trans	-70.4	157.5	178	29.7	-35.6	0	0	0	112.6	F355 F431 T483	F355-P426 HydrophobicContact CB-CG 4.03Å; F355-P426 HydrophobicContact CD1-CG 3.61Å; F355-P426 HydrophobicContact CD2-CG 4.07Å; F355-P426 VanDerWaalsContact CE1-CD 3.49Å; F355-P426 HydrophobicContact CE1-CG 4.05Å; F355-P426 HydrophobicContact CE2-CG 4.47Å; F355-P426 HydrophobicContact CG-CG 3.61Å; F355-P426 HydrophobicContact CZ-CG 4.47Å; P426-F431 HydrophobicContact CG-CZ 3.96Å; P426-T483 VanDerWaalsContact O-CG2 3.24Å; P426-T483 WeakPolarHBondContact O-CG2 3.23Å
427	G	82.9	Confident	87.5	Confident	18 Å²	18	32.6 Å²	32.6	19%	0.186	17%	0.165	C	C	.	.	S	Bend	trans	-74.2	172.1	172.2	0	0	0	0	0	113.2	T429 T483	G427-T429 PolarHBondContact O-N 2.94Å; G427-T429 PolarHBondContact O-OG1 3.15Å; G427-T483 CarbonylContact C-O 3.58Å
428	N	76.1	Confident	88	Confident	123 Å²	123	30.2 Å²	30.2	66%	0.658	15%	0.151	S	C	*	.	S	Bend	trans	50.5	24.4	175.6	-60	-35.3	0	0	0	115.4	T483 S484	N428-T483 WeakPolarHBondContact CA-O 3Å; N428-T483 PolarHBondContact N-O 3.29Å; N428-S484 WeakPolarHBondContact OD1-CA 3.47Å; N428-S484 PolarHBondContact OD1-O 2.92Å
429	T	76	Confident	88.1	Confident	40 Å²	40	30 Å²	30	25%	0.245	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	138.4	-175.6	-55.7	0	0	0	0	109.1	G427 F431 L513	G427-T429 PolarHBondContact O-N 2.94Å; G427-T429 PolarHBondContact O-OG1 3.15Å; T429-F431 HydrophobicContact CG2-CD1 4.46Å; T429-F431 HydrophobicContact CG2-CD2 4.45Å; T429-F431 HydrophobicContact CG2-CE1 3.82Å; T429-F431 HydrophobicContact CG2-CE2 3.82Å; T429-F431 HydrophobicContact CG2-CZ 3.46Å; T429-F431 VanDerWaalsContact CG2-CZ 3.46Å; T429-L513 HydrophobicContact CG2-CD2 3.35Å
430	R	81	Confident	87.7	Confident	51 Å²	51	33.4 Å²	33.4	19%	0.192	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	135.2	174.3	-169.1	179	-67.8	170	1.7	109	T480 G514 D515	R430-T480 HydrophobicContact CG-CG2 4.09Å; R430-G514 PolarHBondContact O-N 2.78Å; R430-D515 WeakPolarHBondContact CD-OD1 3.37Å; R430-D515 IonicContact CZ-OD2 2.92Å; R430-D515 IonicContact NH1-OD1 2.82Å; R430-D515 IonicContact NH1-OD2 3.56Å; R430-D515 PolarHBondContact NH1-OD2 2.65Å
431	F	86.9	Confident	87	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	144.2	-178.2	-62.8	-79.4	0	0	0	111	F355 P357 L425 P426 T429 T480 F481 T483 L511 S512 L513 G514	F355-F431 HydrophobicContact CD1-CE1 4.17Å; F355-F431 HydrophobicContact CD1-CZ 4.39Å; F355-F431 AromaticContact CE1-CE1 3.75Å; F355-F431 HydrophobicContact CE1-CE1 3.75Å; F355-F431 HydrophobicContact CE1-CZ 4.06Å; P357-F431 HydrophobicContact CB-CE1 4.48Å; L425-F431 HydrophobicContact CB-CE2 4.29Å; L425-F431 HydrophobicContact CB-CZ 4.32Å; P426-F431 HydrophobicContact CG-CZ 3.96Å; T429-F431 HydrophobicContact CG2-CD1 4.46Å; T429-F431 HydrophobicContact CG2-CD2 4.45Å; T429-F431 HydrophobicContact CG2-CE1 3.82Å; T429-F431 HydrophobicContact CG2-CE2 3.82Å; T429-F431 HydrophobicContact CG2-CZ 3.46Å; T429-F431 VanDerWaalsContact CG2-CZ 3.46Å; F431-T480 WeakPolarHBondContact O-CA 3.22Å; F431-F481 HydrophobicContact CB-CD1 4.27Å; F431-F481 HydrophobicContact CB-CE1 3.68Å; F431-F481 HydrophobicContact CB-CE2 4.23Å; F431-F481 HydrophobicContact CB-CZ 3.67Å; F431-F481 AromaticContact CD2-CE2 3.89Å; F431-F481 HydrophobicContact CD2-CE2 3.89Å; F431-F481 AromaticContact CD2-CZ 3.99Å; F431-F481 HydrophobicContact CD2-CZ 3.99Å; F431-F481 HydrophobicContact CG-CE2 4.43Å; F431-F481 HydrophobicContact CG-CZ 4.09Å; F431-F481 PolarHBondContact N-O 2.85Å; F431-F481 PolarHBondContact O-N 2.88Å; F431-T483 HydrophobicContact CE2-CG2 4.42Å; F431-L511 HydrophobicContact CB-CD1 3.89Å; F431-L511 HydrophobicContact CB-CG 4.38Å; F431-L511 HydrophobicContact CD1-CD1 4.4Å; F431-L511 HydrophobicContact CD1-CD2 3.86Å; F431-L511 HydrophobicContact CD1-CG 4.01Å; F431-L511 HydrophobicContact CE1-CD2 4.26Å; F431-L511 HydrophobicContact CG-CD1 4.37Å; F431-L511 HydrophobicContact CG-CD2 4.4Å; F431-L511 HydrophobicContact CG-CG 4.47Å; F431-S512 CarbonylContact C-O 3.49Å; F431-S512 VanDerWaalsContact CA-O 3.32Å; F431-S512 WeakPolarHBondContact CA-O 3.26Å; F431-L513 HydrophobicContact CD1-CD2 3.91Å; F431-L513 HydrophobicContact CE1-CD2 3.52Å; F431-L513 HydrophobicContact CZ-CD2 4.32Å; F431-G514 CarbonylContact C-O 3.59Å
432	C	88.9	Confident	86.1	Confident	1 Å²	1	34 Å²	34	1%	0.007	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	115.7	161	172.2	0	0	0	0	108.5	L511 S512 G514 C516	C432-L511 WeakPolarHBondContact O-CA 3.5Å; C432-S512 WeakPolarHBondContact CB-OG 3.38Å; C432-S512 PolarHBondContact N-O 2.91Å; C432-S512 PolarHBondContact O-N 2.76Å; C432-G514 PolarHBondContact N-O 3.02Å; C432-C516 WeakPolarHBondContact CA-SG 3.2Å; C432-C516 HydrophobicContact CB-CB 3.96Å; C432-C516 WeakPolarHBondContact CB-SG 3.24Å; C432-C516 WeakPolarHBondContact SG-CA 3.21Å; C432-C516 WeakPolarHBondContact SG-CB 3.31Å; C432-C516 CovalentContact SG-SG 2.04Å; C432-C516 PolarHBondContact SG-SG 3.17Å
433	L	92.6	Very high	84.7	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	124.5	169.1	165.3	67.4	0	0	0	108.8	F435 V451 V479 F481 M489 F491 I509 L511	L433-F435 HydrophobicContact CD1-CD1 4.09Å; L433-F435 HydrophobicContact CD2-CD1 3.96Å; L433-F435 HydrophobicContact CD2-CE1 3.93Å; L433-F435 HydrophobicContact CG-CD1 3.77Å; L433-F435 HydrophobicContact CG-CE1 4.13Å; L433-V451 HydrophobicContact CD2-CG1 4.01Å; L433-V479 HydrophobicContact CB-CB 4.32Å; L433-V479 PolarHBondContact N-O 3.41Å; L433-V479 PolarHBondContact O-N 2.94Å; L433-F481 HydrophobicContact CB-CD1 4.33Å; L433-F481 HydrophobicContact CB-CE1 3.79Å; L433-M489 HydrophobicContact CD1-CE 4.42Å; L433-M489 HydrophobicContact CD1-SD 4.22Å; L433-M489 HydrophobicContact CD2-SD 3.97Å; L433-M489 HydrophobicContact CG-SD 4.48Å; L433-F491 HydrophobicContact CD1-CZ 4.12Å; L433-F491 HydrophobicContact CD2-CZ 4.1Å; L433-I509 HydrophobicContact CD1-CG2 3.77Å; L433-L511 HydrophobicContact CB-CD1 3.84Å; L433-L511 HydrophobicContact CD1-CD1 4.33Å
434	R	91.9	Very high	83.3	Confident	78 Å²	78	47.2 Å²	47.2	29%	0.294	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	139	166.5	-52.9	-166.9	171.2	132.1	2	110.3	A477 D478 S510 C516	R434-A477 VanDerWaalsContact CA-O 3.29Å; R434-A477 WeakPolarHBondContact CA-O 3.3Å; R434-D478 VanDerWaalsContact CD-OD1 3.28Å; R434-D478 WeakPolarHBondContact CD-OD1 3.46Å; R434-D478 VanDerWaalsContact CG-OD1 3.23Å; R434-D478 WeakPolarHBondContact CG-OD1 3.45Å; R434-D478 IonicContact CZ-OD2 3.7Å; R434-D478 IonicContact NE-OD1 2.93Å; R434-D478 PolarHBondContact NE-OD1 3.35Å; R434-D478 IonicContact NE-OD2 2.95Å; R434-D478 PolarHBondContact NE-OD2 2.8Å; R434-D478 IonicContact NH2-OD2 3.68Å; R434-S510 WeakPolarHBondContact CB-OG 3.34Å; R434-S510 PolarHBondContact N-O 2.99Å; R434-S510 PolarHBondContact O-N 2.92Å; R434-S510 VanDerWaalsContact O-O 3.08Å; R434-C516 PolarHBondContact NH2-O 2.9Å
435	F	93.1	Very high	82.3	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	156.6	175	60.6	-82.5	0	0	0	111	L433 F437 L449 V451 W464 S476 A477 V479 F491 L506 D508 I509	L433-F435 HydrophobicContact CD1-CD1 4.09Å; L433-F435 HydrophobicContact CD2-CD1 3.96Å; L433-F435 HydrophobicContact CD2-CE1 3.93Å; L433-F435 HydrophobicContact CG-CD1 3.77Å; L433-F435 HydrophobicContact CG-CE1 4.13Å; F435-F437 HydrophobicContact CD2-CB 4.46Å; F435-F437 HydrophobicContact CD2-CD1 4.3Å; F435-F437 HydrophobicContact CE2-CB 4.48Å; F435-F437 AromaticContact CE2-CD1 3.95Å; F435-F437 HydrophobicContact CE2-CD1 3.95Å; F435-F437 HydrophobicContact CE2-CG 4.47Å; F435-L449 HydrophobicContact CE2-CD2 4Å; F435-V451 HydrophobicContact CE1-CG2 3.97Å; F435-V451 HydrophobicContact CE2-CG2 4.47Å; F435-V451 HydrophobicContact CZ-CG2 3.67Å; F435-W464 HydrophobicContact CE2-CE3 4.42Å; F435-W464 HydrophobicContact CE2-CH2 4.05Å; F435-W464 AromaticContact CE2-CZ3 3.98Å; F435-W464 HydrophobicContact CE2-CZ3 3.98Å; F435-W464 AromaticContact CZ-CD2 3.95Å; F435-W464 HydrophobicContact CZ-CD2 3.95Å; F435-W464 AromaticContact CZ-CE3 3.74Å; F435-W464 HydrophobicContact CZ-CE3 3.74Å; F435-W464 AromaticContact CZ-CH2 3.97Å; F435-W464 HydrophobicContact CZ-CH2 3.97Å; F435-W464 HydrophobicContact CZ-CZ2 4.24Å; F435-W464 AromaticContact CZ-CZ3 3.75Å; F435-W464 HydrophobicContact CZ-CZ3 3.75Å; F435-S476 CarbonylContact O-C 3.51Å; F435-S476 WeakPolarHBondContact O-CA 3.45Å; F435-A477 HydrophobicContact CD1-CB 4.16Å; F435-A477 HydrophobicContact CD2-CB 4.26Å; F435-A477 HydrophobicContact CE1-CB 3.64Å; F435-A477 HydrophobicContact CE2-CB 3.75Å; F435-A477 HydrophobicContact CG-CB 4.46Å; F435-A477 HydrophobicContact CZ-CB 3.42Å; F435-A477 VanDerWaalsContact CZ-CB 3.42Å; F435-A477 PolarHBondContact N-O 3.46Å; F435-A477 PolarHBondContact O-N 2.89Å; F435-V479 HydrophobicContact CE1-CG2 4.03Å; F435-F491 HydrophobicContact CB-CE1 4.31Å; F435-F491 AromaticContact CD1-CE1 3.76Å; F435-F491 HydrophobicContact CD1-CE1 3.76Å; F435-F491 HydrophobicContact CD1-CZ 4.23Å; F435-F491 HydrophobicContact CD2-CD1 4.46Å; F435-F491 AromaticContact CD2-CE1 3.83Å; F435-F491 HydrophobicContact CD2-CE1 3.83Å; F435-F491 AromaticContact CE1-CE1 3.96Å; F435-F491 HydrophobicContact CE1-CE1 3.96Å; F435-F491 HydrophobicContact CE2-CD1 4.45Å; F435-F491 HydrophobicContact CE2-CE1 4.02Å; F435-F491 AromaticContact CG-CE1 3.69Å; F435-F491 HydrophobicContact CG-CE1 3.69Å; F435-F491 HydrophobicContact CG-CZ 4.29Å; F435-F491 HydrophobicContact CZ-CE1 4.07Å; F435-L506 HydrophobicContact CB-CD1 4.29Å; F435-L506 HydrophobicContact CD2-CD1 3.57Å; F435-L506 HydrophobicContact CE2-CD1 4.33Å; F435-L506 HydrophobicContact CG-CD1 4.25Å; F435-D508 WeakPolarHBondContact CA-O 3.49Å; F435-I509 HydrophobicContact CB-CB 4.48Å; F435-I509 HydrophobicContact CB-CG1 4.03Å
436	F	90.6	Very high	81.1	Confident	30 Å²	30	52.5 Å²	52.5	13%	0.132	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	138.5	177.6	-71.5	-95.9	0	0	0	110.8	H396 W474 I475 L506 D507 D508 T565	H396-F436 HydrophobicContact CB-CB 4.47Å; H396-F436 AromaticContact CD2-CD1 3.57Å; H396-F436 AromaticContact CD2-CE1 3.93Å; H396-F436 AromaticContact CE1-CD1 3.32Å; H396-F436 WeakPolarHBondContact CE1-CD1 3.48Å; H396-F436 AromaticContact CE1-CD2 3.84Å; H396-F436 AromaticContact CE1-CE1 3.07Å; H396-F436 WeakPolarHBondContact CE1-CE1 3.47Å; H396-F436 AromaticContact CE1-CE2 3.63Å; H396-F436 AromaticContact CE1-CG 3.67Å; H396-F436 AromaticContact CE1-CZ 3.24Å; H396-F436 WeakPolarHBondContact CE1-CZ 3.42Å; H396-F436 AromaticContact CG-CD1 3.81Å; H396-F436 AromaticContact CG-CG 3.87Å; H396-F436 AromaticContact ND1-CD1 3.66Å; H396-F436 AromaticContact ND1-CD2 3.76Å; H396-F436 AromaticContact ND1-CE1 3.87Å; H396-F436 AromaticContact ND1-CE2 3.96Å; H396-F436 AromaticContact ND1-CG 3.59Å; H396-F436 AromaticContact NE2-CD1 3.22Å; H396-F436 WeakPolarHBondContact NE2-CD1 3.15Å; H396-F436 AromaticContact NE2-CE1 3.07Å; H396-F436 WeakPolarHBondContact NE2-CE1 3.29Å; H396-F436 AromaticContact NE2-CG 3.97Å; H396-F436 AromaticContact NE2-CZ 3.74Å; F436-W474 HydrophobicContact CB-CE3 4.13Å; F436-I475 CarbonylContact C-O 3.57Å; F436-I475 WeakPolarHBondContact CA-O 3.12Å; F436-L506 CarbonylContact O-C 3.5Å; F436-L506 WeakPolarHBondContact O-CA 3.48Å; F436-D507 HydrophobicContact CB-CB 4.43Å; F436-D507 PolarHBondContact N-O 3.3Å; F436-D507 PolarHBondContact O-N 2.89Å; F436-D508 HydrophobicContact CB-CB 4.43Å; F436-D508 HydrophobicContact CD2-CB 3.53Å; F436-D508 HydrophobicContact CE2-CB 4.21Å; F436-D508 HydrophobicContact CG-CB 4.33Å; F436-T565 VanDerWaalsContact CE1-O 3.22Å; F436-T565 WeakPolarHBondContact CE1-O 3.47Å; F436-T565 VanDerWaalsContact CZ-O 3.29Å; F436-T565 WeakPolarHBondContact CZ-O 3.24Å
437	F	90.6	Very high	80.6	Confident	2 Å²	2	53.3 Å²	53.3	1%	0.009	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	153.4	178	72.6	-81	0	0	0	111.9	F435 L439 L449 W464 Q466 I475 A477 A505	F435-F437 HydrophobicContact CD2-CB 4.46Å; F435-F437 HydrophobicContact CD2-CD1 4.3Å; F435-F437 HydrophobicContact CE2-CB 4.48Å; F435-F437 AromaticContact CE2-CD1 3.95Å; F435-F437 HydrophobicContact CE2-CD1 3.95Å; F435-F437 HydrophobicContact CE2-CG 4.47Å; F437-L439 HydrophobicContact CD2-CD1 4.3Å; F437-L439 HydrophobicContact CD2-CD2 4.06Å; F437-L439 HydrophobicContact CD2-CG 3.84Å; F437-L439 HydrophobicContact CE2-CD1 3.94Å; F437-L439 HydrophobicContact CE2-CG 3.91Å; F437-L449 HydrophobicContact CB-CD2 3.64Å; F437-L449 HydrophobicContact CD2-CD2 4.22Å; F437-L449 HydrophobicContact CG-CD2 3.92Å; F437-W464 AromaticContact CD1-CH2 3.91Å; F437-W464 HydrophobicContact CD1-CH2 3.91Å; F437-W464 HydrophobicContact CD1-CZ2 4.4Å; F437-W464 AromaticContact CE1-CH2 3.55Å; F437-W464 HydrophobicContact CE1-CH2 3.55Å; F437-W464 AromaticContact CE1-CZ2 3.71Å; F437-W464 HydrophobicContact CE1-CZ2 3.71Å; F437-W464 HydrophobicContact CE2-CH2 4.2Å; F437-W464 HydrophobicContact CG-CH2 4.39Å; F437-W464 AromaticContact CZ-CH2 3.71Å; F437-W464 HydrophobicContact CZ-CH2 3.71Å; F437-W464 AromaticContact CZ-CZ2 3.97Å; F437-W464 HydrophobicContact CZ-CZ2 3.97Å; F437-Q466 HydrophobicContact CE2-CB 4.2Å; F437-Q466 HydrophobicContact CE2-CG 3.71Å; F437-Q466 HydrophobicContact CZ-CB 4.24Å; F437-Q466 HydrophobicContact CZ-CG 3.79Å; F437-I475 VanDerWaalsContact CD1-O 3.23Å; F437-I475 WeakPolarHBondContact CD1-O 3.3Å; F437-I475 HydrophobicContact CE1-CB 3.95Å; F437-I475 HydrophobicContact CE1-CG2 3.89Å; F437-I475 HydrophobicContact CE2-CB 4.48Å; F437-I475 HydrophobicContact CZ-CB 3.94Å; F437-I475 HydrophobicContact CZ-CG2 3.92Å; F437-I475 PolarHBondContact N-O 2.83Å; F437-I475 PolarHBondContact O-N 3.22Å; F437-A477 HydrophobicContact CD1-CB 4.17Å; F437-A477 HydrophobicContact CE1-CB 3.93Å; F437-A505 CarbonylContact C-O 3.56Å; F437-A505 WeakPolarHBondContact CA-O 3.27Å; F437-A505 WeakPolarHBondContact CB-O 3.4Å
438	S	86.8	Confident	80.6	Confident	15 Å²	15	52.4 Å²	52.4	11%	0.105	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	129.8	171.9	-163.6	0	0	0	0	110.6	G472 I473 V504 A505	S438-G472 VanDerWaalsContact OG-C 3.31Å; S438-I473 WeakPolarHBondContact CA-O 3.1Å; S438-I473 VanDerWaalsContact CB-O 3.29Å; S438-I473 WeakPolarHBondContact CB-O 3.44Å; S438-I473 VanDerWaalsContact OG-C 3.3Å; S438-I473 PolarHBondContact OG-O 3.31Å; S438-V504 CarbonylContact O-C 3.54Å; S438-V504 WeakPolarHBondContact O-CA 3.26Å; S438-A505 PolarHBondContact N-O 3.07Å; S438-A505 PolarHBondContact O-N 2.86Å
439	L	85.6	Confident	81.2	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	139	175.4	-46.6	173.1	0	0	0	109.5	F437 F442 A448 L449 Q466 S470 G472 V504	F437-L439 HydrophobicContact CD2-CD1 4.3Å; F437-L439 HydrophobicContact CD2-CD2 4.06Å; F437-L439 HydrophobicContact CD2-CG 3.84Å; F437-L439 HydrophobicContact CE2-CD1 3.94Å; F437-L439 HydrophobicContact CE2-CG 3.91Å; L439-F442 HydrophobicContact CB-CD2 4.41Å; L439-A448 HydrophobicContact CD1-CB 3.9Å; L439-A448 HydrophobicContact CD2-CB 4.06Å; L439-L449 HydrophobicContact CD2-CB 4.29Å; L439-Q466 HydrophobicContact CD1-CB 4.38Å; L439-Q466 HydrophobicContact CD1-CG 3.8Å; L439-S470 WeakPolarHBondContact CB-OG 3.26Å; L439-S470 PolarHBondContact O-OG 2.89Å; L439-G472 WeakPolarHBondContact O-CA 3.5Å; L439-G472 PolarHBondContact O-N 3.06Å; L439-V504 HydrophobicContact CD2-CB 4.07Å; L439-V504 HydrophobicContact CD2-CG1 3.69Å; L439-V504 HydrophobicContact CD2-CG2 3.59Å
440	R	80.3	Confident	82	Confident	175 Å²	175	44.7 Å²	44.7	66%	0.66	22%	0.216	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-148.1	122.3	176.4	-176.5	179.6	-177.1	165.2	2.4	112	E468 G502 S503	R440-E468 VanDerWaalsContact C-OE1 3.22Å; R440-E468 WeakPolarHBondContact CA-OE1 3.34Å; R440-E468 PolarHBondContact N-OE1 3.38Å; R440-G502 CarbonylContact O-C 3.58Å; R440-G502 WeakPolarHBondContact O-CA 3.49Å; R440-S503 PolarHBondContact N-O 3.46Å; R440-S503 PolarHBondContact O-N 3.48Å
441	G	75.3	Confident	82.6	Confident	48 Å²	48	42.3 Å²	42.3	50%	0.495	21%	0.207	S	C	.	.	S	Bend	trans	92.7	16.8	163.7	0	0	0	0	0	115.4	E468 C501	G441-E468 PolarHBondContact N-OE1 2.03Å; G441-E468 PolarHBondContact N-OE2 3.35Å; G441-C501 CarbonylContact O-C 3.54Å
442	F	74.1	Confident	83	Confident	2 Å²	2	44.2 Å²	44.2	1%	0.009	22%	0.215	C	C	.	.			trans	-88.9	107.2	168.5	-64.4	-90.8	0	0	0	112.4	L439 T445 A448 E468 D500 G502 V504	L439-F442 HydrophobicContact CB-CD2 4.41Å; F442-T445 HydrophobicContact CB-CG2 4.45Å; F442-T445 WeakPolarHBondContact CB-OG1 3.28Å; F442-T445 HydrophobicContact CD1-CG2 3.79Å; F442-T445 VanDerWaalsContact CD1-OG1 3.26Å; F442-T445 WeakPolarHBondContact CD1-OG1 3.22Å; F442-A448 HydrophobicContact CD1-CB 4.21Å; F442-A448 HydrophobicContact CD2-CB 4.11Å; F442-A448 HydrophobicContact CE1-CB 4.23Å; F442-A448 HydrophobicContact CE2-CB 4.12Å; F442-A448 HydrophobicContact CG-CB 4.17Å; F442-A448 HydrophobicContact CZ-CB 4.2Å; F442-E468 VanDerWaalsContact CA-OE2 3.27Å; F442-E468 WeakPolarHBondContact CA-OE2 3.34Å; F442-E468 HydrophobicContact CB-CB 3.51Å; F442-E468 VanDerWaalsContact CB-CD 3.45Å; F442-E468 HydrophobicContact CB-CG 4.02Å; F442-E468 WeakPolarHBondContact CD2-OE1 3.29Å; F442-E468 HydrophobicContact CG-CB 4.41Å; F442-E468 PolarHBondContact N-OE1 2.99Å; F442-E468 PolarHBondContact N-OE2 2.66Å; F442-E468 WeakPolarHBondContact O-CB 3.49Å; F442-E468 WeakPolarHBondContact O-CG 3.38Å; F442-D500 WeakPolarHBondContact CD1-O 3.22Å; F442-G502 VanDerWaalsContact CD1-N 3.31Å; F442-G502 VanDerWaalsContact CE1-N 3.29Å; F442-G502 VanDerWaalsContact CE2-CA 3.45Å; F442-V504 HydrophobicContact CE2-CG2 3.64Å; F442-V504 HydrophobicContact CZ-CG2 3.61Å
443	N	64.9	Low	83.2	Confident	133 Å²	133	44.3 Å²	44.3	71%	0.711	22%	0.215	S	C	*	.	S	Bend	trans	-76	-34.5	-173.1	-142.9	3.5	0	0	0	114.3
444	Q	64.6	Low	83.2	Confident	164 Å²	164	46 Å²	46	77%	0.766	22%	0.224	S	C	*	.	S	Bend	trans	-148.7	40.7	-175.3	-62.7	-171.5	-0.1	0	0	114.3
445	T	67.9	Low	83.1	Confident	25 Å²	25	43.2 Å²	43.2	15%	0.153	21%	0.214	C	C	.	.			trans	-102.3	124.3	178.3	67.1	0	0	0	0	113	F442 Q447 A467 E468 D500	F442-T445 HydrophobicContact CB-CG2 4.45Å; F442-T445 WeakPolarHBondContact CB-OG1 3.28Å; F442-T445 HydrophobicContact CD1-CG2 3.79Å; F442-T445 VanDerWaalsContact CD1-OG1 3.26Å; F442-T445 WeakPolarHBondContact CD1-OG1 3.22Å; T445-Q447 VanDerWaalsContact C-N 3.3Å; T445-A467 VanDerWaalsContact O-CA 3.31Å; T445-A467 WeakPolarHBondContact O-CA 3.2Å; T445-A467 WeakPolarHBondContact O-CB 3.41Å; T445-E468 PolarHBondContact O-N 3.48Å; T445-D500 HydrophobicContact CG2-CB 3.9Å; T445-D500 WeakPolarHBondContact CG2-O 3.46Å
446	E	66.9	Low	82.5	Confident	160 Å²	160	49.7 Å²	49.7	75%	0.748	25%	0.245	S	C	*	.	S	Bend	trans	-77.6	-14.6	175.2	-65	-172	165.2	0	0	113.3	A467	E446-A467 WeakPolarHBondContact O-CB 3.23Å
447	Q	75.6	Confident	81.7	Confident	54 Å²	54	51.5 Å²	51.5	25%	0.252	27%	0.272	S	S	.	.			trans	-141.7	63.3	-171.1	-64.1	-179.5	3.3	0	0	110.9	T445 V450 T494	T445-Q447 VanDerWaalsContact C-N 3.3Å; Q447-V450 HydrophobicContact CB-CG2 3.8Å; Q447-V450 HydrophobicContact CG-CG2 4.33Å; Q447-T494 PolarHBondContact O-OG1 2.92Å
448	A	82.8	Confident	81.1	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	31%	0.307	C	S	.	.	S	Bend	trans	-72	-41	179.9	0	0	0	0	0	111.8	L439 F442 Q466 S493	L439-A448 HydrophobicContact CD1-CB 3.9Å; L439-A448 HydrophobicContact CD2-CB 4.06Å; F442-A448 HydrophobicContact CD1-CB 4.21Å; F442-A448 HydrophobicContact CD2-CB 4.11Å; F442-A448 HydrophobicContact CE1-CB 4.23Å; F442-A448 HydrophobicContact CE2-CB 4.12Å; F442-A448 HydrophobicContact CG-CB 4.17Å; F442-A448 HydrophobicContact CZ-CB 4.2Å; A448-Q466 PolarHBondContact N-O 2.96Å; A448-S493 WeakPolarHBondContact O-CA 3.13Å; A448-S493 WeakPolarHBondContact O-CB 3.41Å; A448-S493 PolarHBondContact O-OG 3.5Å
449	L	88.9	Confident	81.1	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	132.4	172	179.6	61.6	0	0	0	109.3	W381 F435 F437 L439 W464 T465 Q466 F491 V504	W381-L449 HydrophobicContact CH2-CD1 4.16Å; W381-L449 HydrophobicContact CZ2-CD1 4.12Å; F435-L449 HydrophobicContact CE2-CD2 4Å; F437-L449 HydrophobicContact CB-CD2 3.64Å; F437-L449 HydrophobicContact CD2-CD2 4.22Å; F437-L449 HydrophobicContact CG-CD2 3.92Å; L439-L449 HydrophobicContact CD2-CB 4.29Å; L449-W464 HydrophobicContact CB-CZ3 4.27Å; L449-W464 HydrophobicContact CD2-CH2 4.46Å; L449-W464 HydrophobicContact CD2-CZ3 4.03Å; L449-W464 HydrophobicContact CG-CZ3 3.98Å; L449-T465 WeakPolarHBondContact O-CA 3.41Å; L449-Q466 PolarHBondContact O-N 2.04Å; L449-F491 HydrophobicContact CD1-CB 4.46Å; L449-V504 HydrophobicContact CB-CG1 4.19Å; L449-V504 HydrophobicContact CD1-CG1 4.25Å; L449-V504 HydrophobicContact CD2-CG1 4.13Å; L449-V504 HydrophobicContact CG-CG1 4.42Å
450	V	91.9	Very high	81.3	Confident	1 Å²	1	64.2 Å²	64.2	1%	0.006	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	137.8	-179.1	-170.2	0	0	0	0	109.2	Q447 Y452 K462 W464 V492	Q447-V450 HydrophobicContact CB-CG2 3.8Å; Q447-V450 HydrophobicContact CG-CG2 4.33Å; V450-Y452 HydrophobicContact CB-CD2 4.34Å; V450-Y452 HydrophobicContact CB-CE2 3.8Å; V450-Y452 HydrophobicContact CG1-CD1 4.43Å; V450-Y452 HydrophobicContact CG1-CD2 3.91Å; V450-Y452 HydrophobicContact CG1-CE1 4.02Å; V450-Y452 HydrophobicContact CG1-CE2 3.43Å; V450-Y452 VanDerWaalsContact CG1-CE2 3.43Å; V450-Y452 HydrophobicContact CG1-CG 4.4Å; V450-Y452 VanDerWaalsContact CG1-CZ 3.49Å; V450-K462 HydrophobicContact CG1-CD 3.74Å; V450-K462 HydrophobicContact CG1-CG 3.67Å; V450-W464 WeakPolarHBondContact CA-O 3.35Å; V450-W464 WeakPolarHBondContact CG1-O 3.18Å; V450-V492 PolarHBondContact N-O 2.93Å; V450-V492 PolarHBondContact O-N 2.98Å
451	V	94.9	Very high	81.8	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	124.8	170.7	-170.9	0	0	0	0	109	L433 F435 I463 W464 A490 F491	L433-V451 HydrophobicContact CD2-CG1 4.01Å; F435-V451 HydrophobicContact CE1-CG2 3.97Å; F435-V451 HydrophobicContact CE2-CG2 4.47Å; F435-V451 HydrophobicContact CZ-CG2 3.67Å; V451-I463 HydrophobicContact CB-CD1 4.44Å; V451-I463 HydrophobicContact CB-CG1 3.99Å; V451-I463 HydrophobicContact CG1-CD1 3.77Å; V451-I463 HydrophobicContact CG1-CG1 3.82Å; V451-I463 WeakPolarHBondContact O-CG1 3.37Å; V451-I463 PolarHBondContact O-N 2.83Å; V451-W464 HydrophobicContact CB-CB 4.18Å; V451-W464 HydrophobicContact CG2-CB 4.34Å; V451-W464 HydrophobicContact CG2-CE3 3.96Å; V451-W464 PolarHBondContact N-O 2.92Å; V451-W464 PolarHBondContact O-N 2.81Å; V451-A490 WeakPolarHBondContact CA-O 3.36Å; V451-F491 HydrophobicContact CG1-CE1 4.47Å; V451-F491 HydrophobicContact CG2-CD1 3.68Å; V451-F491 HydrophobicContact CG2-CE1 3.68Å
452	Y	94.3	Very high	82.7	Confident	41 Å²	41	62.3 Å²	62.3	16%	0.161	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	147.2	177	-69.1	-77.1	0	0	0	111.7	V450 Q460 E461 K462 M489 A490 V492	V450-Y452 HydrophobicContact CB-CD2 4.34Å; V450-Y452 HydrophobicContact CB-CE2 3.8Å; V450-Y452 HydrophobicContact CG1-CD1 4.43Å; V450-Y452 HydrophobicContact CG1-CD2 3.91Å; V450-Y452 HydrophobicContact CG1-CE1 4.02Å; V450-Y452 HydrophobicContact CG1-CE2 3.43Å; V450-Y452 VanDerWaalsContact CG1-CE2 3.43Å; V450-Y452 HydrophobicContact CG1-CG 4.4Å; V450-Y452 VanDerWaalsContact CG1-CZ 3.49Å; Y452-Q460 HydrophobicContact CD1-CG 3.5Å; Y452-Q460 VanDerWaalsContact CD2-NE2 3.29Å; Y452-Q460 HydrophobicContact CE1-CG 4.14Å; Y452-Q460 HydrophobicContact CG-CG 3.87Å; Y452-Q460 VanDerWaalsContact CZ-NE2 3.28Å; Y452-E461 CarbonylContact C-O 3.6Å; Y452-E461 VanDerWaalsContact CA-O 3.26Å; Y452-E461 WeakPolarHBondContact CA-O 3.34Å; Y452-K462 HydrophobicContact CD1-CB 3.92Å; Y452-K462 HydrophobicContact CD1-CG 4.42Å; Y452-K462 HydrophobicContact CE1-CB 3.74Å; Y452-K462 HydrophobicContact CE1-CG 4.12Å; Y452-M489 CarbonylContact O-C 3.52Å; Y452-M489 WeakPolarHBondContact O-CA 3.4Å; Y452-A490 PolarHBondContact N-O 2.85Å; Y452-A490 PolarHBondContact O-N 2.84Å; Y452-V492 HydrophobicContact CD2-CB 4.09Å; Y452-V492 HydrophobicContact CD2-CG2 3.71Å; Y452-V492 HydrophobicContact CE2-CB 4.07Å; Y452-V492 HydrophobicContact CE2-CG2 4.1Å
453	L	93.5	Very high	83.6	Confident	2 Å²	2	64 Å²	64	1%	0.01	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	121.1	166.1	-170.4	71.8	0	0	0	109	Q460 E461 I463 F481 A487	L453-Q460 WeakPolarHBondContact O-CA 3.49Å; L453-E461 HydrophobicContact CB-CB 4.39Å; L453-E461 PolarHBondContact N-O 2.98Å; L453-E461 PolarHBondContact O-N 3.19Å; L453-I463 HydrophobicContact CB-CG2 4.06Å; L453-F481 HydrophobicContact CD1-CD2 4.3Å; L453-F481 HydrophobicContact CD1-CE2 3.95Å; L453-A487 HydrophobicContact CD1-CB 3.5Å; L453-A487 HydrophobicContact CD2-CB 4.26Å; L453-A487 HydrophobicContact CG-CB 3.71Å
454	L	92.2	Very high	84.9	Confident	37 Å²	37	59.8 Å²	59.8	19%	0.194	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	102	-178.3	-55.5	-179.2	0	0	0	109.2	Q460 A487 K488 A490	L454-Q460 HydrophobicContact CD2-CB 3.96Å; L454-Q460 HydrophobicContact CD2-CG 3.69Å; L454-A487 CarbonylContact O-C 3.49Å; L454-A487 VanDerWaalsContact O-CA 3.24Å; L454-A487 WeakPolarHBondContact O-CA 3.32Å; L454-A487 WeakPolarHBondContact O-CB 3.45Å; L454-K488 HydrophobicContact CB-CB 4.46Å; L454-K488 WeakPolarHBondContact CB-O 3.42Å; L454-K488 PolarHBondContact N-O 3.4Å; L454-K488 PolarHBondContact O-N 2.93Å; L454-A490 HydrophobicContact CD1-CB 3.69Å; L454-A490 HydrophobicContact CG-CB 4.08Å
455	Q	89.6	Confident	86.1	Confident	18 Å²	18	54.2 Å²	54.2	8%	0.084	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	152.9	179.2	-61.2	-173.2	-38.1	0	0	111.4	G457 G458 R459 A487	Q455-G457 PolarHBondContact O-N 2.87Å; Q455-G457 VanDerWaalsContact O-N 3.1Å; Q455-G458 PolarHBondContact O-N 3.02Å; Q455-R459 PolarHBondContact N-O 2.82Å; Q455-R459 VanDerWaalsContact OE1-CZ 3.27Å; Q455-A487 HydrophobicContact CG-CB 4.18Å
456	Q	80.3	Confident	87	Confident	137 Å²	137	56.1 Å²	56.1	64%	0.64	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-27.8	178	-78.1	-169.1	-12.8	0	0	113.9	M424 G458 P486	M424-Q456 HydrophobicContact CE-CG 4.01Å; M424-Q456 HydrophobicContact SD-CG 4.39Å; Q456-G458 PolarHBondContact O-N 2.54Å; Q456-G458 VanDerWaalsContact O-N 3.17Å; Q456-P486 PolarHBondContact N-O 3.41Å
457	G	74.6	Confident	87.4	Confident	68 Å²	68	49.9 Å²	49.9	70%	0.701	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	7.6	174.3	0	0	0	0	0	115.5	Q455 R459	Q455-G457 PolarHBondContact O-N 2.87Å; Q455-G457 VanDerWaalsContact O-N 3.1Å; G457-R459 PolarHBondContact O-N 3.1Å
458	G	78.8	Confident	87	Confident	72 Å²	72	49.6 Å²	49.6	74%	0.742	27%	0.27	S	S	*	.	S	Bend	trans	78.4	0.2	-179.1	0	0	0	0	0	114.7	Q455 Q456	Q455-G458 PolarHBondContact O-N 3.02Å; Q456-G458 PolarHBondContact O-N 2.54Å; Q456-G458 VanDerWaalsContact O-N 3.17Å
459	R	85.9	Confident	85.9	Confident	121 Å²	121	58.7 Å²	58.7	46%	0.457	31%	0.309	S	S	.	.			trans	-73.8	129.1	174.8	-165.4	177.6	72.4	91.1	4.3	109.9	Q455 G457 E461	Q455-R459 PolarHBondContact N-O 2.82Å; Q455-R459 VanDerWaalsContact OE1-CZ 3.27Å; G457-R459 PolarHBondContact O-N 3.1Å; R459-E461 IonicContact CZ-OE2 3.27Å; R459-E461 VanDerWaalsContact CZ-OE2 3.27Å; R459-E461 IonicContact NH1-OE2 3.67Å; R459-E461 PolarHBondContact NH1-OE2 3.04Å; R459-E461 IonicContact NH2-OE2 2.74Å; R459-E461 PolarHBondContact NH2-OE2 3.07Å
460	Q	89.9	Confident	84.5	Confident	91 Å²	91	59.8 Å²	59.8	43%	0.425	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	125.8	175.5	176.2	172.2	-26.3	0	0	109.6	Y452 L453 L454	Y452-Q460 HydrophobicContact CD1-CG 3.5Å; Y452-Q460 VanDerWaalsContact CD2-NE2 3.29Å; Y452-Q460 HydrophobicContact CE1-CG 4.14Å; Y452-Q460 HydrophobicContact CG-CG 3.87Å; Y452-Q460 VanDerWaalsContact CZ-NE2 3.28Å; L453-Q460 WeakPolarHBondContact O-CA 3.49Å; L454-Q460 HydrophobicContact CD2-CB 3.96Å; L454-Q460 HydrophobicContact CD2-CG 3.69Å
461	E	91.3	Very high	83.2	Confident	77 Å²	77	67.8 Å²	67.8	36%	0.36	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	134.4	179.5	-178.6	169.8	170.2	0	0	110.2	Y452 L453 R459	Y452-E461 CarbonylContact C-O 3.6Å; Y452-E461 VanDerWaalsContact CA-O 3.26Å; Y452-E461 WeakPolarHBondContact CA-O 3.34Å; L453-E461 HydrophobicContact CB-CB 4.39Å; L453-E461 PolarHBondContact N-O 2.98Å; L453-E461 PolarHBondContact O-N 3.19Å; R459-E461 IonicContact CZ-OE2 3.27Å; R459-E461 VanDerWaalsContact CZ-OE2 3.27Å; R459-E461 IonicContact NH1-OE2 3.67Å; R459-E461 PolarHBondContact NH1-OE2 3.04Å; R459-E461 IonicContact NH2-OE2 2.74Å; R459-E461 PolarHBondContact NH2-OE2 3.07Å
462	K	92.7	Very high	82.1	Confident	106 Å²	106	68.2 Å²	68.2	46%	0.461	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	116	178.5	-176.8	177.3	64	173.5	0	109	V450 Y452 T465	V450-K462 HydrophobicContact CG1-CD 3.74Å; V450-K462 HydrophobicContact CG1-CG 3.67Å; Y452-K462 HydrophobicContact CD1-CB 3.92Å; Y452-K462 HydrophobicContact CD1-CG 4.42Å; Y452-K462 HydrophobicContact CE1-CB 3.74Å; Y452-K462 HydrophobicContact CE1-CG 4.12Å; K462-T465 HydrophobicContact CD-CG2 4.31Å
463	I	92.9	Very high	81.3	Confident	38 Å²	38	67.3 Å²	67.3	20%	0.195	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	-25.1	-179.3	63.4	171.9	0	0	0	112.6	V451 L453 V479 F481	V451-I463 HydrophobicContact CB-CD1 4.44Å; V451-I463 HydrophobicContact CB-CG1 3.99Å; V451-I463 HydrophobicContact CG1-CD1 3.77Å; V451-I463 HydrophobicContact CG1-CG1 3.82Å; V451-I463 WeakPolarHBondContact O-CG1 3.37Å; V451-I463 PolarHBondContact O-N 2.83Å; L453-I463 HydrophobicContact CB-CG2 4.06Å; I463-V479 HydrophobicContact CB-CG1 4.39Å; I463-V479 HydrophobicContact CD1-CG1 4.25Å; I463-V479 HydrophobicContact CG1-CG1 4.33Å; I463-F481 HydrophobicContact CD1-CB 4.32Å; I463-F481 HydrophobicContact CD1-CD1 3.88Å; I463-F481 HydrophobicContact CD1-CD2 4.38Å; I463-F481 HydrophobicContact CD1-CE1 4.3Å; I463-F481 HydrophobicContact CD1-CG 3.93Å; I463-F481 HydrophobicContact CG2-CB 4.34Å
464	W	92.9	Very high	80.8	Confident	43 Å²	43	68.8 Å²	68.8	16%	0.163	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	151.8	179.1	-174.9	93.6	0	0	0	112.4	F435 F437 L449 V450 V451 Q466 A477 V479	F435-W464 HydrophobicContact CE2-CE3 4.42Å; F435-W464 HydrophobicContact CE2-CH2 4.05Å; F435-W464 AromaticContact CE2-CZ3 3.98Å; F435-W464 HydrophobicContact CE2-CZ3 3.98Å; F435-W464 AromaticContact CZ-CD2 3.95Å; F435-W464 HydrophobicContact CZ-CD2 3.95Å; F435-W464 AromaticContact CZ-CE3 3.74Å; F435-W464 HydrophobicContact CZ-CE3 3.74Å; F435-W464 AromaticContact CZ-CH2 3.97Å; F435-W464 HydrophobicContact CZ-CH2 3.97Å; F435-W464 HydrophobicContact CZ-CZ2 4.24Å; F435-W464 AromaticContact CZ-CZ3 3.75Å; F435-W464 HydrophobicContact CZ-CZ3 3.75Å; F437-W464 AromaticContact CD1-CH2 3.91Å; F437-W464 HydrophobicContact CD1-CH2 3.91Å; F437-W464 HydrophobicContact CD1-CZ2 4.4Å; F437-W464 AromaticContact CE1-CH2 3.55Å; F437-W464 HydrophobicContact CE1-CH2 3.55Å; F437-W464 AromaticContact CE1-CZ2 3.71Å; F437-W464 HydrophobicContact CE1-CZ2 3.71Å; F437-W464 HydrophobicContact CE2-CH2 4.2Å; F437-W464 HydrophobicContact CG-CH2 4.39Å; F437-W464 AromaticContact CZ-CH2 3.71Å; F437-W464 HydrophobicContact CZ-CH2 3.71Å; F437-W464 AromaticContact CZ-CZ2 3.97Å; F437-W464 HydrophobicContact CZ-CZ2 3.97Å; L449-W464 HydrophobicContact CB-CZ3 4.27Å; L449-W464 HydrophobicContact CD2-CH2 4.46Å; L449-W464 HydrophobicContact CD2-CZ3 4.03Å; L449-W464 HydrophobicContact CG-CZ3 3.98Å; V450-W464 WeakPolarHBondContact CA-O 3.35Å; V450-W464 WeakPolarHBondContact CG1-O 3.18Å; V451-W464 HydrophobicContact CB-CB 4.18Å; V451-W464 HydrophobicContact CG2-CB 4.34Å; V451-W464 HydrophobicContact CG2-CE3 3.96Å; V451-W464 PolarHBondContact N-O 2.92Å; V451-W464 PolarHBondContact O-N 2.81Å; W464-Q466 HydrophobicContact CH2-CB 3.34Å; W464-Q466 HydrophobicContact CH2-CG 4.27Å; W464-Q466 HydrophobicContact CZ2-CB 3.83Å; W464-Q466 HydrophobicContact CZ3-CB 3.81Å; W464-A477 HydrophobicContact CH2-CB 4.16Å; W464-A477 HydrophobicContact CZ2-CB 3.5Å; W464-V479 HydrophobicContact CB-CG1 4.14Å; W464-V479 HydrophobicContact CB-CG2 3.74Å; W464-V479 VanDerWaalsContact CD1-CG2 3.42Å; W464-V479 HydrophobicContact CD2-CG2 4.5Å; W464-V479 HydrophobicContact CG-CG2 3.64Å
465	T	90.9	Very high	80.5	Confident	48 Å²	48	67.8 Å²	67.8	29%	0.294	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	147.4	175	-176.1	0	0	0	0	111.7	L449 K462	L449-T465 WeakPolarHBondContact O-CA 3.41Å; K462-T465 HydrophobicContact CD-CG2 4.31Å
466	Q	85.3	Confident	80.4	Confident	64 Å²	64	68.2 Å²	68.2	30%	0.299	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	129.7	173.3	-174.2	64.4	54.3	0	0	111.9	F437 L439 A448 L449 W464	F437-Q466 HydrophobicContact CE2-CB 4.2Å; F437-Q466 HydrophobicContact CE2-CG 3.71Å; F437-Q466 HydrophobicContact CZ-CB 4.24Å; F437-Q466 HydrophobicContact CZ-CG 3.79Å; L439-Q466 HydrophobicContact CD1-CB 4.38Å; L439-Q466 HydrophobicContact CD1-CG 3.8Å; A448-Q466 PolarHBondContact N-O 2.96Å; L449-Q466 PolarHBondContact O-N 2.04Å; W464-Q466 HydrophobicContact CH2-CB 3.34Å; W464-Q466 HydrophobicContact CH2-CG 4.27Å; W464-Q466 HydrophobicContact CZ2-CB 3.83Å; W464-Q466 HydrophobicContact CZ3-CB 3.81Å
467	A	76.1	Confident	80.8	Confident	30 Å²	30	61.9 Å²	61.9	25%	0.248	33%	0.325	C	S	.	.			trans	-87.7	153.4	168.2	0	0	0	0	0	110.4	T445 E446 K469	T445-A467 VanDerWaalsContact O-CA 3.31Å; T445-A467 WeakPolarHBondContact O-CA 3.2Å; T445-A467 WeakPolarHBondContact O-CB 3.41Å; E446-A467 WeakPolarHBondContact O-CB 3.23Å; A467-K469 PolarHBondContact O-N 3.49Å; A467-K469 VanDerWaalsContact O-N 3.15Å
468	E	66.6	Low	81.5	Confident	48 Å²	48	62.1 Å²	62.1	22%	0.224	31%	0.31	C	S	.	.	S	Bend	trans	-70.5	116.9	178.7	-178	162	-79.9	0	0	112.5	R440 G441 F442 T445	R440-E468 VanDerWaalsContact C-OE1 3.22Å; R440-E468 WeakPolarHBondContact CA-OE1 3.34Å; R440-E468 PolarHBondContact N-OE1 3.38Å; G441-E468 PolarHBondContact N-OE1 2.03Å; G441-E468 PolarHBondContact N-OE2 3.35Å; F442-E468 VanDerWaalsContact CA-OE2 3.27Å; F442-E468 WeakPolarHBondContact CA-OE2 3.34Å; F442-E468 HydrophobicContact CB-CB 3.51Å; F442-E468 VanDerWaalsContact CB-CD 3.45Å; F442-E468 HydrophobicContact CB-CG 4.02Å; F442-E468 WeakPolarHBondContact CD2-OE1 3.29Å; F442-E468 HydrophobicContact CG-CB 4.41Å; F442-E468 PolarHBondContact N-OE1 2.99Å; F442-E468 PolarHBondContact N-OE2 2.66Å; F442-E468 WeakPolarHBondContact O-CB 3.49Å; F442-E468 WeakPolarHBondContact O-CG 3.38Å; T445-E468 PolarHBondContact O-N 3.48Å
469	K	59.9	Low	82.1	Confident	191 Å²	191	59.1 Å²	59.1	83%	0.83	28%	0.278	S	S	*	.			trans	-139.1	5.2	162.9	-66	-175.1	-179.8	176.9	0	112	A467	A467-K469 PolarHBondContact O-N 3.49Å; A467-K469 VanDerWaalsContact O-N 3.15Å
470	S	59.6	Low	82.2	Confident	22 Å²	22	56.2 Å²	56.2	15%	0.154	27%	0.273	C	S	.	.			trans	-98.7	149.5	-168.8	61.5	0	0	0	0	112.8	L439 G472	L439-S470 WeakPolarHBondContact CB-OG 3.26Å; L439-S470 PolarHBondContact O-OG 2.89Å; S470-G472 VanDerWaalsContact C-N 3.29Å; S470-G472 PolarHBondContact O-N 2.82Å
471	R	65.4	Low	82.2	Confident	170 Å²	170	52.5 Å²	52.5	64%	0.642	26%	0.256	S	S	*	.			trans	-93.4	29.4	-170.5	-63	-179.4	177.5	175.9	-0.7	112.9	R561	R471-R561 PolarHBondContact O-NH1 3.41Å
472	G	70.9	Confident	81.9	Confident	8 Å²	8	54 Å²	54	8%	0.082	26%	0.263	C	S	.	.	S	Bend	trans	64.8	36.8	-173.5	0	0	0	0	0	113.7	N393 S438 L439 S470	N393-G472 PolarHBondContact ND2-O 3.24Å; S438-G472 VanDerWaalsContact OG-C 3.31Å; L439-G472 WeakPolarHBondContact O-CA 3.5Å; L439-G472 PolarHBondContact O-N 3.06Å; S470-G472 VanDerWaalsContact C-N 3.29Å; S470-G472 PolarHBondContact O-N 2.82Å
473	I	77.3	Confident	81.3	Confident	23 Å²	23	49 Å²	49	12%	0.118	24%	0.241	C	C	.	.			trans	-101.7	160.4	170	58	174.8	0	0	0	109.4	S438 I475 R561 G567	S438-I473 WeakPolarHBondContact CA-O 3.1Å; S438-I473 VanDerWaalsContact CB-O 3.29Å; S438-I473 WeakPolarHBondContact CB-O 3.44Å; S438-I473 VanDerWaalsContact OG-C 3.3Å; S438-I473 PolarHBondContact OG-O 3.31Å; I473-I475 HydrophobicContact CD1-CD1 4.47Å; I473-I475 HydrophobicContact CD1-CG1 4.21Å; I473-I475 HydrophobicContact CG1-CD1 4.17Å; I473-I475 HydrophobicContact CG1-CG1 3.87Å; I473-R561 HydrophobicContact CG2-CB 3.45Å; I473-R561 VanDerWaalsContact CG2-CB 3.45Å; I473-R561 HydrophobicContact CG2-CG 4.29Å; I473-G567 WeakPolarHBondContact CD1-O 3.44Å
474	W	84.4	Confident	80.8	Confident	32 Å²	32	50.7 Å²	50.7	12%	0.121	26%	0.256	C	S	.	.			trans	-70.1	137.1	165.3	-69.3	113.1	0	0	0	109.3	G394 H396 F403 F436 A505 D507 G567	G394-W474 PolarHBondContact O-NE1 2.81Å; H396-W474 HydrophobicContact CB-CD2 3.85Å; H396-W474 HydrophobicContact CB-CE3 4.29Å; H396-W474 HydrophobicContact CB-CG 3.92Å; H396-W474 AromaticContact CD2-CG 3.82Å; F403-W474 HydrophobicContact CB-CH2 3.92Å; F403-W474 HydrophobicContact CB-CZ2 4.29Å; F403-W474 HydrophobicContact CD1-CH2 4.46Å; F403-W474 HydrophobicContact CD1-CZ2 4.07Å; F403-W474 AromaticContact CD2-CH2 3.92Å; F403-W474 HydrophobicContact CD2-CH2 3.92Å; F403-W474 HydrophobicContact CD2-CZ2 4.17Å; F403-W474 HydrophobicContact CE1-CZ2 4.43Å; F403-W474 AromaticContact CG-CH2 3.85Å; F403-W474 HydrophobicContact CG-CH2 3.85Å; F403-W474 AromaticContact CG-CZ2 3.92Å; F403-W474 HydrophobicContact CG-CZ2 3.92Å; F436-W474 HydrophobicContact CB-CE3 4.13Å; W474-A505 HydrophobicContact CH2-CB 3.42Å; W474-A505 VanDerWaalsContact CH2-CB 3.42Å; W474-A505 HydrophobicContact CZ2-CB 4.12Å; W474-A505 HydrophobicContact CZ3-CB 3.79Å; W474-D507 HydrophobicContact CE3-CB 4.36Å; W474-D507 HydrophobicContact CH2-CB 3.61Å; W474-D507 HydrophobicContact CZ2-CB 4.44Å; W474-D507 HydrophobicContact CZ3-CB 3.56Å; W474-G567 VanDerWaalsContact O-CA 3.31Å; W474-G567 WeakPolarHBondContact O-CA 3.19Å
475	I	84.9	Confident	80.5	Confident	16 Å²	16	53.2 Å²	53.2	8%	0.082	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	134.4	178.6	-59.3	179.1	0	0	0	107.8	F436 F437 I473 T566 L568	F436-I475 CarbonylContact C-O 3.57Å; F436-I475 WeakPolarHBondContact CA-O 3.12Å; F437-I475 VanDerWaalsContact CD1-O 3.23Å; F437-I475 WeakPolarHBondContact CD1-O 3.3Å; F437-I475 HydrophobicContact CE1-CB 3.95Å; F437-I475 HydrophobicContact CE1-CG2 3.89Å; F437-I475 HydrophobicContact CE2-CB 4.48Å; F437-I475 HydrophobicContact CZ-CB 3.94Å; F437-I475 HydrophobicContact CZ-CG2 3.92Å; F437-I475 PolarHBondContact N-O 2.83Å; F437-I475 PolarHBondContact O-N 3.22Å; I473-I475 HydrophobicContact CD1-CD1 4.47Å; I473-I475 HydrophobicContact CD1-CG1 4.21Å; I473-I475 HydrophobicContact CG1-CD1 4.17Å; I473-I475 HydrophobicContact CG1-CG1 3.87Å; I475-T566 CarbonylContact C-O 3.51Å; I475-T566 WeakPolarHBondContact CA-O 3.38Å; I475-L568 HydrophobicContact CG2-CD1 4.05Å; I475-L568 HydrophobicContact CG2-CG 4.29Å
476	S	87.9	Confident	80.4	Confident	27 Å²	27	53.3 Å²	53.3	19%	0.189	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	144.7	172.5	72.3	0	0	0	0	111.3	F435 T566	F435-S476 CarbonylContact O-C 3.51Å; F435-S476 WeakPolarHBondContact O-CA 3.45Å; S476-T566 PolarHBondContact N-O 3.08Å; S476-T566 VanDerWaalsContact OG-CA 3.3Å; S476-T566 WeakPolarHBondContact OG-CA 3.21Å; S476-T566 VanDerWaalsContact OG-CB 3.24Å; S476-T566 WeakPolarHBondContact OG-CB 3.49Å; S476-T566 WeakPolarHBondContact OG-CG2 3.38Å
477	A	88.9	Confident	80.7	Confident	5 Å²	5	50.2 Å²	50.2	4%	0.041	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	123.6	171.2	0	0	0	0	0	109.8	R434 F435 F437 W464	R434-A477 VanDerWaalsContact CA-O 3.29Å; R434-A477 WeakPolarHBondContact CA-O 3.3Å; F435-A477 HydrophobicContact CD1-CB 4.16Å; F435-A477 HydrophobicContact CD2-CB 4.26Å; F435-A477 HydrophobicContact CE1-CB 3.64Å; F435-A477 HydrophobicContact CE2-CB 3.75Å; F435-A477 HydrophobicContact CG-CB 4.46Å; F435-A477 HydrophobicContact CZ-CB 3.42Å; F435-A477 VanDerWaalsContact CZ-CB 3.42Å; F435-A477 PolarHBondContact N-O 3.46Å; F435-A477 PolarHBondContact O-N 2.89Å; F437-A477 HydrophobicContact CD1-CB 4.17Å; F437-A477 HydrophobicContact CE1-CB 3.93Å; W464-A477 HydrophobicContact CH2-CB 4.16Å; W464-A477 HydrophobicContact CZ2-CB 3.5Å
478	D	89.7	Confident	81.6	Confident	73 Å²	73	52.4 Å²	52.4	39%	0.39	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	124.4	175.4	-78.6	19.4	0	0	0	109.6	R434 C516	R434-D478 VanDerWaalsContact CD-OD1 3.28Å; R434-D478 WeakPolarHBondContact CD-OD1 3.46Å; R434-D478 VanDerWaalsContact CG-OD1 3.23Å; R434-D478 WeakPolarHBondContact CG-OD1 3.45Å; R434-D478 IonicContact CZ-OD2 3.7Å; R434-D478 IonicContact NE-OD1 2.93Å; R434-D478 PolarHBondContact NE-OD1 3.35Å; R434-D478 IonicContact NE-OD2 2.95Å; R434-D478 PolarHBondContact NE-OD2 2.8Å; R434-D478 IonicContact NH2-OD2 3.68Å; D478-C516 HydrophobicContact CB-CB 3.91Å
479	V	89.7	Confident	82.9	Confident	9 Å²	9	50.1 Å²	50.1	6%	0.055	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	103.3	-175.2	-169.7	0	0	0	0	109.7	L433 F435 I463 W464	L433-V479 HydrophobicContact CB-CB 4.32Å; L433-V479 PolarHBondContact N-O 3.41Å; L433-V479 PolarHBondContact O-N 2.94Å; F435-V479 HydrophobicContact CE1-CG2 4.03Å; I463-V479 HydrophobicContact CB-CG1 4.39Å; I463-V479 HydrophobicContact CD1-CG1 4.25Å; I463-V479 HydrophobicContact CG1-CG1 4.33Å; W464-V479 HydrophobicContact CB-CG1 4.14Å; W464-V479 HydrophobicContact CB-CG2 3.74Å; W464-V479 VanDerWaalsContact CD1-CG2 3.42Å; W464-V479 HydrophobicContact CD2-CG2 4.5Å; W464-V479 HydrophobicContact CG-CG2 3.64Å
480	T	89.1	Confident	84.5	Confident	59 Å²	59	41.1 Å²	41.1	36%	0.362	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	127.6	163.3	-65.7	0	0	0	0	109.1	R430 F431 D515 C516	R430-T480 HydrophobicContact CG-CG2 4.09Å; F431-T480 WeakPolarHBondContact O-CA 3.22Å; T480-D515 WeakPolarHBondContact CG2-OD1 3.48Å; T480-D515 PolarHBondContact OG1-OD1 2.86Å; T480-C516 PolarHBondContact OG1-N 2.79Å; T480-C516 VanDerWaalsContact OG1-N 3.14Å
481	F	89.6	Confident	86.1	Confident	13 Å²	13	40 Å²	40	6%	0.057	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	159.9	169.6	70.2	-80.9	0	0	0	112	L425 F431 L433 L453 I463 M489 L511	L425-F481 HydrophobicContact CD1-CE2 4.2Å; L425-F481 HydrophobicContact CD1-CZ 3.88Å; F431-F481 HydrophobicContact CB-CD1 4.27Å; F431-F481 HydrophobicContact CB-CE1 3.68Å; F431-F481 HydrophobicContact CB-CE2 4.23Å; F431-F481 HydrophobicContact CB-CZ 3.67Å; F431-F481 AromaticContact CD2-CE2 3.89Å; F431-F481 HydrophobicContact CD2-CE2 3.89Å; F431-F481 AromaticContact CD2-CZ 3.99Å; F431-F481 HydrophobicContact CD2-CZ 3.99Å; F431-F481 HydrophobicContact CG-CE2 4.43Å; F431-F481 HydrophobicContact CG-CZ 4.09Å; F431-F481 PolarHBondContact N-O 2.85Å; F431-F481 PolarHBondContact O-N 2.88Å; L433-F481 HydrophobicContact CB-CD1 4.33Å; L433-F481 HydrophobicContact CB-CE1 3.79Å; L453-F481 HydrophobicContact CD1-CD2 4.3Å; L453-F481 HydrophobicContact CD1-CE2 3.95Å; I463-F481 HydrophobicContact CD1-CB 4.32Å; I463-F481 HydrophobicContact CD1-CD1 3.88Å; I463-F481 HydrophobicContact CD1-CD2 4.38Å; I463-F481 HydrophobicContact CD1-CE1 4.3Å; I463-F481 HydrophobicContact CD1-CG 3.93Å; I463-F481 HydrophobicContact CG2-CB 4.34Å; F481-M489 HydrophobicContact CE1-SD 3.99Å; F481-M489 HydrophobicContact CZ-CG 4.19Å; F481-M489 HydrophobicContact CZ-SD 3.66Å; F481-L511 HydrophobicContact CE1-CD1 4.04Å; F481-L511 HydrophobicContact CZ-CD1 4.17Å
482	Q	85.9	Confident	87.3	Confident	110 Å²	110	32.2 Å²	32.2	51%	0.514	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	138.5	174.5	-178.7	176.4	-5.7	0	0	108.9
483	T	80.3	Confident	88	Confident	1 Å²	1	31.9 Å²	31.9	1%	0.006	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	135.8	175.2	-175.3	0	0	0	0	110.5	P426 G427 N428 F431 Q485 A487	P426-T483 VanDerWaalsContact O-CG2 3.24Å; P426-T483 WeakPolarHBondContact O-CG2 3.23Å; G427-T483 CarbonylContact C-O 3.58Å; N428-T483 WeakPolarHBondContact CA-O 3Å; N428-T483 PolarHBondContact N-O 3.29Å; F431-T483 HydrophobicContact CE2-CG2 4.42Å; T483-Q485 WeakPolarHBondContact CG2-O 3.42Å; T483-Q485 PolarHBondContact OG1-O 2.67Å; T483-A487 HydrophobicContact CG2-CB 4.47Å
484	S	81.1	Confident	88.1	Confident	72 Å²	72	32.2 Å²	32.2	50%	0.503	17%	0.174	S	C	.	.	S	Bend	trans	-82.7	-20.2	177.3	54.6	0	0	0	0	113.6	N428	N428-S484 WeakPolarHBondContact OD1-CA 3.47Å; N428-S484 PolarHBondContact OD1-O 2.92Å
485	Q	86	Confident	87.6	Confident	96 Å²	96	30.8 Å²	30.8	45%	0.449	17%	0.169	S	C	.	.	S	Bend	trans	-131	161.1	179.7	-67.2	-171.7	-1.1	0	0	110.2	T483 A487	T483-Q485 WeakPolarHBondContact CG2-O 3.42Å; T483-Q485 PolarHBondContact OG1-O 2.67Å; Q485-A487 PolarHBondContact O-N 2.83Å
486	P	89.9	Confident	86.9	Confident	50 Å²	50	39.8 Å²	39.8	33%	0.325	20%	0.202	S	C	.	.			trans	-54.1	131.1	172.6	-26.2	35.1	0	0	0	112	M424 L425 Q456	M424-P486 HydrophobicContact CG-CB 4.15Å; M424-P486 HydrophobicContact SD-CB 3.94Å; L425-P486 WeakPolarHBondContact O-CA 3.5Å; Q456-P486 PolarHBondContact N-O 3.41Å
487	A	92.2	Very high	85.9	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	157.2	-172.4	0	0	0	0	0	112.4	L425 L453 L454 Q455 T483 Q485	L425-A487 WeakPolarHBondContact CB-O 3.39Å; L425-A487 PolarHBondContact N-O 2.89Å; L425-A487 PolarHBondContact O-N 3.42Å; L453-A487 HydrophobicContact CD1-CB 3.5Å; L453-A487 HydrophobicContact CD2-CB 4.26Å; L453-A487 HydrophobicContact CG-CB 3.71Å; L454-A487 CarbonylContact O-C 3.49Å; L454-A487 VanDerWaalsContact O-CA 3.24Å; L454-A487 WeakPolarHBondContact O-CA 3.32Å; L454-A487 WeakPolarHBondContact O-CB 3.45Å; Q455-A487 HydrophobicContact CG-CB 4.18Å; T483-A487 HydrophobicContact CG2-CB 4.47Å; Q485-A487 PolarHBondContact O-N 2.83Å
488	K	93.7	Very high	84.7	Confident	76 Å²	76	46 Å²	46	33%	0.33	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	144.7	173.2	-61.2	-177	178.4	-173.7	0	110.4	I421 M424 L454	I421-K488 HydrophobicContact CG2-CB 3.79Å; I421-K488 HydrophobicContact CG2-CD 3.74Å; I421-K488 HydrophobicContact CG2-CG 4.39Å; M424-K488 HydrophobicContact CE-CG 4.42Å; M424-K488 HydrophobicContact SD-CG 4.03Å; L454-K488 HydrophobicContact CB-CB 4.46Å; L454-K488 WeakPolarHBondContact CB-O 3.42Å; L454-K488 PolarHBondContact N-O 3.4Å; L454-K488 PolarHBondContact O-N 2.93Å
489	M	94.6	Very high	83.5	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	143.1	169.5	-57.2	178.6	-63.6	0	0	109.7	A360 I421 S422 L425 L433 Y452 F481 L511	A360-M489 HydrophobicContact CB-CE 4Å; I421-M489 CarbonylContact C-O 3.6Å; I421-M489 WeakPolarHBondContact CA-O 3.19Å; S422-M489 PolarHBondContact N-O 3.09Å; S422-M489 PolarHBondContact OG-N 3.05Å; S422-M489 PolarHBondContact OG-O 2.04Å; L425-M489 HydrophobicContact CD1-CE 4.02Å; L425-M489 HydrophobicContact CD1-CG 3.78Å; L425-M489 HydrophobicContact CD1-SD 3.87Å; L433-M489 HydrophobicContact CD1-CE 4.42Å; L433-M489 HydrophobicContact CD1-SD 4.22Å; L433-M489 HydrophobicContact CD2-SD 3.97Å; L433-M489 HydrophobicContact CG-SD 4.48Å; Y452-M489 CarbonylContact O-C 3.52Å; Y452-M489 WeakPolarHBondContact O-CA 3.4Å; F481-M489 HydrophobicContact CE1-SD 3.99Å; F481-M489 HydrophobicContact CZ-CG 4.19Å; F481-M489 HydrophobicContact CZ-SD 3.66Å; M489-L511 HydrophobicContact CE-CD1 4.13Å; M489-L511 HydrophobicContact CE-CD2 4.18Å; M489-L511 HydrophobicContact SD-CD1 4.04Å
490	A	93.4	Very high	82.4	Confident	1 Å²	1	54.1 Å²	54.1	1%	0.008	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	119.7	174.7	0	0	0	0	0	110.8	R419 V420 I421 V451 Y452 L454 V492	R419-A490 HydrophobicContact CG-CB 4.27Å; V420-A490 WeakPolarHBondContact O-CA 3.4Å; I421-A490 HydrophobicContact CG1-CB 4.33Å; V451-A490 WeakPolarHBondContact CA-O 3.36Å; Y452-A490 PolarHBondContact N-O 2.85Å; Y452-A490 PolarHBondContact O-N 2.84Å; L454-A490 HydrophobicContact CD1-CB 3.69Å; L454-A490 HydrophobicContact CG-CB 4.08Å; A490-V492 HydrophobicContact CB-CG2 4.31Å
491	F	94	Very high	81.6	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	115.5	171.8	-63.1	-98.1	0	0	0	108.5	Y371 W381 R419 V420 L433 F435 L449 V451 L506 I509	Y371-F491 HydrophobicContact CE1-CD2 4.3Å; Y371-F491 HydrophobicContact CE1-CE2 4.05Å; W381-F491 PolarHBondContact NE1-O 2.94Å; R419-F491 WeakPolarHBondContact CA-O 3.17Å; V420-F491 HydrophobicContact CG1-CB 3.74Å; V420-F491 HydrophobicContact CG1-CD2 4.35Å; V420-F491 HydrophobicContact CG1-CG 4.43Å; V420-F491 PolarHBondContact N-O 3.26Å; V420-F491 VanDerWaalsContact N-O 3.12Å; V420-F491 PolarHBondContact O-N 2.9Å; L433-F491 HydrophobicContact CD1-CZ 4.12Å; L433-F491 HydrophobicContact CD2-CZ 4.1Å; F435-F491 HydrophobicContact CB-CE1 4.31Å; F435-F491 AromaticContact CD1-CE1 3.76Å; F435-F491 HydrophobicContact CD1-CE1 3.76Å; F435-F491 HydrophobicContact CD1-CZ 4.23Å; F435-F491 HydrophobicContact CD2-CD1 4.46Å; F435-F491 AromaticContact CD2-CE1 3.83Å; F435-F491 HydrophobicContact CD2-CE1 3.83Å; F435-F491 AromaticContact CE1-CE1 3.96Å; F435-F491 HydrophobicContact CE1-CE1 3.96Å; F435-F491 HydrophobicContact CE2-CD1 4.45Å; F435-F491 HydrophobicContact CE2-CE1 4.02Å; F435-F491 AromaticContact CG-CE1 3.69Å; F435-F491 HydrophobicContact CG-CE1 3.69Å; F435-F491 HydrophobicContact CG-CZ 4.29Å; F435-F491 HydrophobicContact CZ-CE1 4.07Å; L449-F491 HydrophobicContact CD1-CB 4.46Å; V451-F491 HydrophobicContact CG1-CE1 4.47Å; V451-F491 HydrophobicContact CG2-CD1 3.68Å; V451-F491 HydrophobicContact CG2-CE1 3.68Å; F491-L506 HydrophobicContact CB-CD2 3.82Å; F491-L506 HydrophobicContact CD1-CD1 3.86Å; F491-L506 HydrophobicContact CD1-CD2 3.81Å; F491-L506 HydrophobicContact CD2-CD2 4.27Å; F491-L506 HydrophobicContact CE1-CD1 4.04Å; F491-L506 HydrophobicContact CE1-CD2 4.45Å; F491-L506 HydrophobicContact CG-CD2 3.71Å; F491-I509 HydrophobicContact CD2-CD1 4.27Å; F491-I509 HydrophobicContact CE2-CD1 3.74Å; F491-I509 HydrophobicContact CZ-CD1 3.93Å; F491-I509 HydrophobicContact CZ-CG1 4.27Å; F491-I509 HydrophobicContact CZ-CG2 4.23Å
492	V	90.1	Very high	81	Confident	6 Å²	6	52 Å²	52	4%	0.036	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	121.5	-173.3	-176.1	0	0	0	0	109.6	V417 N418 R419 V450 Y452 A490 T494	V417-V492 HydrophobicContact CG1-CG1 3.67Å; N418-V492 VanDerWaalsContact O-CA 3.3Å; N418-V492 WeakPolarHBondContact O-CA 3.4Å; R419-V492 HydrophobicContact CB-CG2 4.4Å; R419-V492 HydrophobicContact CG-CG2 4Å; V450-V492 PolarHBondContact N-O 2.93Å; V450-V492 PolarHBondContact O-N 2.98Å; Y452-V492 HydrophobicContact CD2-CB 4.09Å; Y452-V492 HydrophobicContact CD2-CG2 3.71Å; Y452-V492 HydrophobicContact CE2-CB 4.07Å; Y452-V492 HydrophobicContact CE2-CG2 4.1Å; A490-V492 HydrophobicContact CB-CG2 4.31Å; V492-T494 HydrophobicContact CG1-CG2 3.79Å
493	S	85.9	Confident	80.8	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	124.9	166.5	179.7	0	0	0	0	109.3	V417 N418 A448 V504	V417-S493 WeakPolarHBondContact CA-O 3.42Å; N418-S493 PolarHBondContact N-O 3.07Å; N418-S493 PolarHBondContact O-N 2.97Å; A448-S493 WeakPolarHBondContact O-CA 3.13Å; A448-S493 WeakPolarHBondContact O-CB 3.41Å; A448-S493 PolarHBondContact O-OG 3.5Å; S493-V504 VanDerWaalsContact OG-CG2 3.26Å; S493-V504 WeakPolarHBondContact OG-CG2 3.41Å
494	T	78.8	Confident	81.1	Confident	30 Å²	30	47.7 Å²	47.7	18%	0.184	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	134.1	178.8	62.2	0	0	0	0	111	Y416 V417 Q447 V492	Y416-T494 WeakPolarHBondContact O-CA 3.35Å; V417-T494 HydrophobicContact CG1-CG2 4.16Å; V417-T494 HydrophobicContact CG2-CG2 4.06Å; Q447-T494 PolarHBondContact O-OG1 2.92Å; V492-T494 HydrophobicContact CG1-CG2 3.79Å
495	C	73	Confident	81.5	Confident	3 Å²	3	44.6 Å²	44.6	2%	0.02	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	128	162.2	-172.6	0	0	0	0	110.8	G415 Y416 S497 C501	G415-C495 CarbonylContact C-O 3.55Å; G415-C495 WeakPolarHBondContact CA-O 3.39Å; Y416-C495 HydrophobicContact CD1-CB 3.68Å; Y416-C495 HydrophobicContact CD2-CB 4.4Å; Y416-C495 HydrophobicContact CE1-CB 3.17Å; Y416-C495 HydrophobicContact CE2-CB 4Å; Y416-C495 HydrophobicContact CG-CB 4.26Å; Y416-C495 PolarHBondContact N-O 3.14Å; Y416-C495 PolarHBondContact O-N 2.95Å; C495-S497 PolarHBondContact SG-O 2.88Å; C495-C501 HydrophobicContact CB-CB 3.96Å; C495-C501 WeakPolarHBondContact CB-SG 3.45Å; C495-C501 WeakPolarHBondContact SG-CA 3.47Å; C495-C501 WeakPolarHBondContact SG-CB 3.4Å; C495-C501 CovalentContact SG-SG 2.01Å; C495-C501 PolarHBondContact SG-SG 3.22Å
496	R	70.3	Confident	81.7	Confident	204 Å²	204	40 Å²	40	77%	0.77	19%	0.187	S	C	*	.			trans	-96.6	-30.2	-179.3	-63	-176.7	-177.9	177.6	1.5	113.6
497	S	68.1	Low	81.8	Confident	41 Å²	41	37.7 Å²	37.7	29%	0.287	17%	0.172	S	C	.	.			trans	-136	133.5	-173.4	171.4	0	0	0	0	110.5	C495 W499 D500 C501	C495-S497 PolarHBondContact SG-O 2.88Å; S497-W499 PolarHBondContact O-N 2.89Å; S497-D500 WeakPolarHBondContact CB-OD2 3.45Å; S497-D500 PolarHBondContact O-N 3Å; S497-D500 PolarHBondContact OG-OD2 2.85Å; S497-C501 PolarHBondContact O-N 3.47Å; S497-C501 PolarHBondContact O-SG 3.41Å
498	F	62.8	Low	81.7	Confident	123 Å²	123	39 Å²	39	54%	0.539	18%	0.179	S	C	.	.	G	3₁₀ helix	trans	-54.6	-35.6	-179.5	177.3	-97.9	0	0	0	113.3	D500 C501	F498-D500 PolarHBondContact O-N 2.8Å; F498-C501 PolarHBondContact O-N 2.86Å
499	W	64	Low	81.7	Confident	210 Å²	210	35.6 Å²	35.6	80%	0.795	16%	0.164	S	C	*	.	G	3₁₀ helix	trans	-75.2	-13.7	-178.7	-58.2	101.5	0	0	0	113.8	S497	S497-W499 PolarHBondContact O-N 2.89Å
500	D	67.1	Low	81.5	Confident	41 Å²	41	37.8 Å²	37.8	22%	0.219	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-112.8	4.3	-179.6	-59.4	-54	0	0	0	112.3	F442 T445 S497 F498	F442-D500 WeakPolarHBondContact CD1-O 3.22Å; T445-D500 HydrophobicContact CG2-CB 3.9Å; T445-D500 WeakPolarHBondContact CG2-O 3.46Å; S497-D500 WeakPolarHBondContact CB-OD2 3.45Å; S497-D500 PolarHBondContact O-N 3Å; S497-D500 PolarHBondContact OG-OD2 2.85Å; F498-D500 PolarHBondContact O-N 2.8Å
501	C	72.3	Confident	81.4	Confident	22 Å²	22	38.1 Å²	38.1	15%	0.149	18%	0.181	C	C	.	.			trans	-83.5	122.4	-179.3	-56.8	0	0	0	0	111.9	S408 Y416 G441 C495 S497 F498	S408-C501 VanDerWaalsContact OG-CB 3.25Å; S408-C501 WeakPolarHBondContact OG-CB 3.15Å; S408-C501 PolarHBondContact OG-O 3Å; Y416-C501 HydrophobicContact CE1-CB 4.13Å; G441-C501 CarbonylContact O-C 3.54Å; C495-C501 HydrophobicContact CB-CB 3.96Å; C495-C501 WeakPolarHBondContact CB-SG 3.45Å; C495-C501 WeakPolarHBondContact SG-CA 3.47Å; C495-C501 WeakPolarHBondContact SG-CB 3.4Å; C495-C501 CovalentContact SG-SG 2.01Å; C495-C501 PolarHBondContact SG-SG 3.22Å; S497-C501 PolarHBondContact O-N 3.47Å; S497-C501 PolarHBondContact O-SG 3.41Å; F498-C501 PolarHBondContact O-N 2.86Å
502	G	76.9	Confident	81	Confident	5 Å²	5	40.6 Å²	40.6	5%	0.052	20%	0.198	C	C	.	.			trans	-103	-161.2	165.3	0	0	0	0	0	112.9	S408 Y416 R440 F442	S408-G502 PolarHBondContact OG-O 3.08Å; Y416-G502 PolarHBondContact OH-O 3.29Å; Y416-G502 VanDerWaalsContact OH-O 3.14Å; R440-G502 CarbonylContact O-C 3.58Å; R440-G502 WeakPolarHBondContact O-CA 3.49Å; F442-G502 VanDerWaalsContact CD1-N 3.31Å; F442-G502 VanDerWaalsContact CE1-N 3.29Å; F442-G502 VanDerWaalsContact CE2-CA 3.45Å
503	S	81.5	Confident	80.5	Confident	22 Å²	22	43.5 Å²	43.5	15%	0.154	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	140.5	168.3	58.9	0	0	0	0	110	A406 R440	A406-S503 CarbonylContact O-C 3.53Å; A406-S503 WeakPolarHBondContact O-CA 3.11Å; R440-S503 PolarHBondContact N-O 3.46Å; R440-S503 PolarHBondContact O-N 3.48Å
504	V	86.8	Confident	79.9	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	124.3	172.1	-176.2	0	0	0	0	108.7	W381 L405 A406 S438 L439 F442 L449 S493	W381-V504 HydrophobicContact CH2-CB 4.08Å; W381-V504 HydrophobicContact CH2-CG1 3.65Å; W381-V504 HydrophobicContact CZ3-CB 4.38Å; W381-V504 HydrophobicContact CZ3-CG1 4.18Å; W381-V504 WeakPolarHBondContact CZ3-O 3.41Å; L405-V504 WeakPolarHBondContact CA-O 3.3Å; A406-V504 HydrophobicContact CB-CB 4.3Å; A406-V504 PolarHBondContact N-O 3.43Å; A406-V504 PolarHBondContact O-N 2.95Å; S438-V504 CarbonylContact O-C 3.54Å; S438-V504 WeakPolarHBondContact O-CA 3.26Å; L439-V504 HydrophobicContact CD2-CB 4.07Å; L439-V504 HydrophobicContact CD2-CG1 3.69Å; L439-V504 HydrophobicContact CD2-CG2 3.59Å; F442-V504 HydrophobicContact CE2-CG2 3.64Å; F442-V504 HydrophobicContact CZ-CG2 3.61Å; L449-V504 HydrophobicContact CB-CG1 4.19Å; L449-V504 HydrophobicContact CD1-CG1 4.25Å; L449-V504 HydrophobicContact CD2-CG1 4.13Å; L449-V504 HydrophobicContact CG-CG1 4.42Å; S493-V504 VanDerWaalsContact OG-CG2 3.26Å; S493-V504 WeakPolarHBondContact OG-CG2 3.41Å
505	A	89.2	Confident	79.8	Confident	7 Å²	7	44.8 Å²	44.8	6%	0.058	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	143.4	166.1	0	0	0	0	0	109.5	F403 L404 L405 F437 S438 W474	F403-A505 HydrophobicContact CD2-CB 3.84Å; F403-A505 HydrophobicContact CE2-CB 3.89Å; L404-A505 CarbonylContact O-C 3.54Å; L404-A505 WeakPolarHBondContact O-CA 3.34Å; L405-A505 HydrophobicContact CD1-CB 4.26Å; F437-A505 CarbonylContact C-O 3.56Å; F437-A505 WeakPolarHBondContact CA-O 3.27Å; F437-A505 WeakPolarHBondContact CB-O 3.4Å; S438-A505 PolarHBondContact N-O 3.07Å; S438-A505 PolarHBondContact O-N 2.86Å; W474-A505 HydrophobicContact CH2-CB 3.42Å; W474-A505 VanDerWaalsContact CH2-CB 3.42Å; W474-A505 HydrophobicContact CZ2-CB 4.12Å; W474-A505 HydrophobicContact CZ3-CB 3.79Å
506	L	91.4	Very high	79.8	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	135.1	178	178.3	70.3	0	0	0	108.5	F364 W381 L404 V420 F435 F436 F491 I509	F364-L506 HydrophobicContact CE2-CG 4.47Å; W381-L506 HydrophobicContact CH2-CB 3.9Å; W381-L506 HydrophobicContact CH2-CD2 4.43Å; W381-L506 HydrophobicContact CZ3-CB 3.73Å; L404-L506 HydrophobicContact CB-CB 4.31Å; L404-L506 PolarHBondContact N-O 2.83Å; L404-L506 PolarHBondContact O-N 3.42Å; V420-L506 HydrophobicContact CG1-CD2 4.2Å; F435-L506 HydrophobicContact CB-CD1 4.29Å; F435-L506 HydrophobicContact CD2-CD1 3.57Å; F435-L506 HydrophobicContact CE2-CD1 4.33Å; F435-L506 HydrophobicContact CG-CD1 4.25Å; F436-L506 CarbonylContact O-C 3.5Å; F436-L506 WeakPolarHBondContact O-CA 3.48Å; F491-L506 HydrophobicContact CB-CD2 3.82Å; F491-L506 HydrophobicContact CD1-CD1 3.86Å; F491-L506 HydrophobicContact CD1-CD2 3.81Å; F491-L506 HydrophobicContact CD2-CD2 4.27Å; F491-L506 HydrophobicContact CE1-CD1 4.04Å; F491-L506 HydrophobicContact CE1-CD2 4.45Å; F491-L506 HydrophobicContact CG-CD2 3.71Å; L506-I509 HydrophobicContact CD2-CD1 4.09Å; L506-I509 HydrophobicContact CG-CD1 4.42Å
507	D	91.1	Very high	79.5	Confident	0 Å²	0	44 Å²	44	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	166.5	-173.7	-151.5	7.6	0	0	0	112.4	H396 F403 F436 W474 I509	H396-D507 HydrophobicContact CB-CB 4.35Å; H396-D507 WeakPolarHBondContact CB-OD2 3.4Å; H396-D507 PolarHBondContact N-OD2 3.24Å; H396-D507 VanDerWaalsContact N-OD2 3.09Å; F403-D507 HydrophobicContact CB-CB 3.98Å; F436-D507 HydrophobicContact CB-CB 4.43Å; F436-D507 PolarHBondContact N-O 3.3Å; F436-D507 PolarHBondContact O-N 2.89Å; W474-D507 HydrophobicContact CE3-CB 4.36Å; W474-D507 HydrophobicContact CH2-CB 3.61Å; W474-D507 HydrophobicContact CZ2-CB 4.44Å; W474-D507 HydrophobicContact CZ3-CB 3.56Å; D507-I509 PolarHBondContact O-N 3.1Å
508	D	89.9	Confident	78.8	Confident	29 Å²	29	48.9 Å²	48.9	16%	0.155	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	45.4	57.7	169.6	-77.1	-29	0	0	0	114.2	H396 T397 F435 F436 S510	H396-D508 IonicContact CE1-OD2 3.5Å; H396-D508 IonicContact CG-OD2 3.35Å; H396-D508 IonicContact ND1-OD2 2.98Å; H396-D508 PolarHBondContact ND1-OD2 3.17Å; T397-D508 PolarHBondContact N-OD2 2.97Å; T397-D508 VanDerWaalsContact OG1-CG 3.22Å; T397-D508 PolarHBondContact OG1-OD1 3.41Å; T397-D508 PolarHBondContact OG1-OD2 3.32Å; T397-D508 VanDerWaalsContact OG1-OD2 3.06Å; F435-D508 WeakPolarHBondContact CA-O 3.49Å; F436-D508 HydrophobicContact CB-CB 4.43Å; F436-D508 HydrophobicContact CD2-CB 3.53Å; F436-D508 HydrophobicContact CE2-CB 4.21Å; F436-D508 HydrophobicContact CG-CB 4.33Å; D508-S510 PolarHBondContact O-N 3.25Å
509	I	94.1	Very high	78.1	Confident	4 Å²	4	47.2 Å²	47.2	2%	0.021	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	127.5	175.1	-54.8	171.7	0	0	0	108.8	N361 C362 F364 Y371 L433 F435 F491 L506 D507	N361-I509 CarbonylContact C-O 3.01Å; N361-I509 WeakPolarHBondContact CA-O 3.24Å; C362-I509 PolarHBondContact N-O 2.84Å; C362-I509 PolarHBondContact O-N 2.91Å; F364-I509 HydrophobicContact CE2-CD1 4.06Å; F364-I509 HydrophobicContact CE2-CG1 4.22Å; F364-I509 HydrophobicContact CZ-CD1 3.63Å; F364-I509 HydrophobicContact CZ-CG1 4.28Å; Y371-I509 HydrophobicContact CE1-CD1 4.01Å; Y371-I509 HydrophobicContact CE2-CD1 4.2Å; Y371-I509 VanDerWaalsContact OH-CG2 3.32Å; Y371-I509 WeakPolarHBondContact OH-CG2 3.44Å; L433-I509 HydrophobicContact CD1-CG2 3.77Å; F435-I509 HydrophobicContact CB-CB 4.48Å; F435-I509 HydrophobicContact CB-CG1 4.03Å; F491-I509 HydrophobicContact CD2-CD1 4.27Å; F491-I509 HydrophobicContact CE2-CD1 3.74Å; F491-I509 HydrophobicContact CZ-CD1 3.93Å; F491-I509 HydrophobicContact CZ-CG1 4.27Å; F491-I509 HydrophobicContact CZ-CG2 4.23Å; L506-I509 HydrophobicContact CD2-CD1 4.09Å; L506-I509 HydrophobicContact CG-CD1 4.42Å; D507-I509 PolarHBondContact O-N 3.1Å
510	S	91.4	Very high	77.6	Confident	46 Å²	46	40.9 Å²	40.9	32%	0.322	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	140.4	171.7	58.5	0	0	0	0	111.3	N361 R434 D508	N361-S510 WeakPolarHBondContact OD1-CA 3.46Å; R434-S510 WeakPolarHBondContact CB-OG 3.34Å; R434-S510 PolarHBondContact N-O 2.99Å; R434-S510 PolarHBondContact O-N 2.92Å; R434-S510 VanDerWaalsContact O-O 3.08Å; D508-S510 PolarHBondContact O-N 3.25Å
511	L	90.4	Very high	77.2	Confident	7 Å²	7	42.4 Å²	42.4	4%	0.037	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	128.4	177.5	-164.9	74.7	0	0	0	108.8	P357 A360 N361 L425 F431 C432 L433 F481 M489	P357-L511 HydrophobicContact CB-CB 4.44Å; P357-L511 HydrophobicContact CB-CD2 4.29Å; P357-L511 HydrophobicContact CB-CG 4.31Å; P357-L511 WeakPolarHBondContact CB-O 3.45Å; A360-L511 HydrophobicContact CB-CB 4.02Å; A360-L511 HydrophobicContact CB-CD2 3.72Å; A360-L511 HydrophobicContact CB-CG 4.5Å; N361-L511 PolarHBondContact OD1-N 2.78Å; L425-L511 HydrophobicContact CD1-CD2 3.92Å; L425-L511 HydrophobicContact CD2-CD2 3.52Å; L425-L511 HydrophobicContact CG-CD2 4.38Å; F431-L511 HydrophobicContact CB-CD1 3.89Å; F431-L511 HydrophobicContact CB-CG 4.38Å; F431-L511 HydrophobicContact CD1-CD1 4.4Å; F431-L511 HydrophobicContact CD1-CD2 3.86Å; F431-L511 HydrophobicContact CD1-CG 4.01Å; F431-L511 HydrophobicContact CE1-CD2 4.26Å; F431-L511 HydrophobicContact CG-CD1 4.37Å; F431-L511 HydrophobicContact CG-CD2 4.4Å; F431-L511 HydrophobicContact CG-CG 4.47Å; C432-L511 WeakPolarHBondContact O-CA 3.5Å; L433-L511 HydrophobicContact CB-CD1 3.84Å; L433-L511 HydrophobicContact CD1-CD1 4.33Å; F481-L511 HydrophobicContact CE1-CD1 4.04Å; F481-L511 HydrophobicContact CZ-CD1 4.17Å; M489-L511 HydrophobicContact CE-CD1 4.13Å; M489-L511 HydrophobicContact CE-CD2 4.18Å; M489-L511 HydrophobicContact SD-CD1 4.04Å
512	S	85.4	Confident	77	Confident	52 Å²	52	46.4 Å²	46.4	36%	0.364	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	160.9	172.8	61.1	0	0	0	0	110.7	F431 C432	F431-S512 CarbonylContact C-O 3.49Å; F431-S512 VanDerWaalsContact CA-O 3.32Å; F431-S512 WeakPolarHBondContact CA-O 3.26Å; C432-S512 WeakPolarHBondContact CB-OG 3.38Å; C432-S512 PolarHBondContact N-O 2.91Å; C432-S512 PolarHBondContact O-N 2.76Å
513	L	80.1	Confident	76.9	Confident	68 Å²	68	48.2 Å²	48.2	36%	0.356	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	142	174.5	-65.3	171.4	0	0	0	110.1	P316 P357 T429 F431	P316-L513 HydrophobicContact CB-CB 4.1Å; P357-L513 HydrophobicContact CB-CG 4.5Å; P357-L513 HydrophobicContact CG-CG 4.08Å; T429-L513 HydrophobicContact CG2-CD2 3.35Å; F431-L513 HydrophobicContact CD1-CD2 3.91Å; F431-L513 HydrophobicContact CE1-CD2 3.52Å; F431-L513 HydrophobicContact CZ-CD2 4.32Å
514	G	74	Confident	76.9	Confident	3 Å²	3	48 Å²	48	3%	0.031	29%	0.285	C	S	.	.	S	Bend	trans	96.4	-156.5	176.5	0	0	0	0	0	114.7	R430 F431 C432	R430-G514 PolarHBondContact O-N 2.78Å; F431-G514 CarbonylContact C-O 3.59Å; C432-G514 PolarHBondContact N-O 3.02Å
515	D	75.1	Confident	77	Confident	54 Å²	54	50.2 Å²	50.2	29%	0.289	30%	0.295	S	S	.	.			trans	-90.3	149.7	-178	-73.5	-66	0	0	0	111.8	R430 T480 F517	R430-D515 WeakPolarHBondContact CD-OD1 3.37Å; R430-D515 IonicContact CZ-OD2 2.92Å; R430-D515 IonicContact NH1-OD1 2.82Å; R430-D515 IonicContact NH1-OD2 3.56Å; R430-D515 PolarHBondContact NH1-OD2 2.65Å; T480-D515 WeakPolarHBondContact CG2-OD1 3.48Å; T480-D515 PolarHBondContact OG1-OD1 2.86Å; D515-F517 PolarHBondContact O-N 3.37Å; D515-F517 VanDerWaalsContact O-N 3.1Å
516	C	74.2	Confident	77.1	Confident	11 Å²	11	50 Å²	50	7%	0.074	29%	0.293	C	S	.	.			trans	-70.6	-0.5	177.8	-67.6	0	0	0	0	115.1	C432 R434 D478 T480	C432-C516 WeakPolarHBondContact CA-SG 3.2Å; C432-C516 HydrophobicContact CB-CB 3.96Å; C432-C516 WeakPolarHBondContact CB-SG 3.24Å; C432-C516 WeakPolarHBondContact SG-CA 3.21Å; C432-C516 WeakPolarHBondContact SG-CB 3.31Å; C432-C516 CovalentContact SG-SG 2.04Å; C432-C516 PolarHBondContact SG-SG 3.17Å; R434-C516 PolarHBondContact NH2-O 2.9Å; D478-C516 HydrophobicContact CB-CB 3.91Å; T480-C516 PolarHBondContact OG1-N 2.79Å; T480-C516 VanDerWaalsContact OG1-N 3.14Å
517	F	64.3	Low	77	Confident	179 Å²	179	52 Å²	52	79%	0.785	30%	0.304	S	S	*	.	P	Polyproline II helix	trans	-69.8	137.1	-179.1	-82.8	-79.6	0	0	0	112.4	D515 S519	D515-F517 PolarHBondContact O-N 3.37Å; D515-F517 VanDerWaalsContact O-N 3.1Å; F517-S519 PolarHBondContact O-N 2.67Å
518	L	53.3	Low	77.1	Confident	144 Å²	144	52 Å²	52	75%	0.754	30%	0.304	S	S	*	.	P	Polyproline II helix	trans	-49.9	121.7	-164.7	-62.8	160.3	0	0	0	113.8
519	S	48.2	Very low	77	Confident	88 Å²	88	53.9 Å²	53.9	62%	0.615	31%	0.311	S	S	*	.	P	Polyproline II helix	trans	-53.8	136.9	143	51.5	0	0	0	0	107.9	F517	F517-S519 PolarHBondContact O-N 2.67Å
520	A	52.6	Low	76.6	Confident	76 Å²	76	57.8 Å²	57.8	63%	0.628	35%	0.345	S	S	*	.	P	Polyproline II helix	trans	-48.8	146.6	167.1	0	0	0	0	0	109.6	L522	A520-L522 PolarHBondContact O-N 2.85Å; A520-L522 VanDerWaalsContact O-N 3.14Å
521	P	58.7	Low	76.3	Confident	73 Å²	73	56.8 Å²	56.8	47%	0.474	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-50.7	126.5	177.9	-22.9	31.2	0	0	0	109.3
522	L	69.6	Low	76.2	Confident	107 Å²	107	59.4 Å²	59.4	56%	0.56	36%	0.355	S	S	*	.	P	Polyproline II helix	trans	-58.3	139.2	175.8	-70.5	171	0	0	0	108.4	A520 G524 H525	A520-L522 PolarHBondContact O-N 2.85Å; A520-L522 VanDerWaalsContact O-N 3.14Å; L522-G524 PolarHBondContact O-N 3.46Å; L522-H525 HydrophobicContact CB-CB 4.09Å; L522-H525 WeakPolarHBondContact O-CA 3.36Å; L522-H525 VanDerWaalsContact O-CB 3.29Å; L522-H525 WeakPolarHBondContact O-CB 3.01Å; L522-H525 PolarHBondContact O-N 3.14Å
523	P	74.6	Confident	76.2	Confident	43 Å²	43	58.8 Å²	58.8	28%	0.279	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	130.4	175.3	-26.5	34.7	0	0	0	111.2	F124 D125 P127 H525	F124-P523 HydrophobicContact CB-CB 3.74Å; F124-P523 HydrophobicContact CG-CB 4.24Å; D125-P523 WeakPolarHBondContact O-CG 3.4Å; P127-P523 HydrophobicContact CG-CG 4.18Å; P523-H525 VanDerWaalsContact C-N 3.31Å
524	G	80.4	Confident	76.3	Confident	17 Å²	17	57 Å²	57	18%	0.175	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.5	-1.3	-174.9	0	0	0	0	0	114.9	F124 L522 L675	F124-G524 VanDerWaalsContact CE2-CA 3.45Å; L522-G524 PolarHBondContact O-N 3.46Å; G524-L675 PolarHBondContact O-N 3.37Å
525	H	88.8	Confident	77.1	Confident	46 Å²	46	58 Å²	58	21%	0.213	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	136.7	177.4	-64.7	-126.2	0	0	0	110.3	L522 P523 I673 M674 D676	L522-H525 HydrophobicContact CB-CB 4.09Å; L522-H525 WeakPolarHBondContact O-CA 3.36Å; L522-H525 VanDerWaalsContact O-CB 3.29Å; L522-H525 WeakPolarHBondContact O-CB 3.01Å; L522-H525 PolarHBondContact O-N 3.14Å; P523-H525 VanDerWaalsContact C-N 3.31Å; H525-I673 CarbonylContact C-O 3.45Å; H525-I673 WeakPolarHBondContact CA-O 3.28Å; H525-M674 WeakPolarHBondContact ND1-CG 3.16Å; H525-D676 IonicContact CE1-OD1 3.98Å; H525-D676 IonicContact NE2-OD1 2.91Å; H525-D676 PolarHBondContact NE2-OD1 3.11Å
526	C	90.6	Very high	77.8	Confident	4 Å²	4	58.1 Å²	58.1	3%	0.027	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	111.8	178.6	-169.8	0	0	0	0	112	F528 C533 Y535 D672 I673	C526-F528 WeakPolarHBondContact SG-CD1 2.99Å; C526-F528 WeakPolarHBondContact SG-CE1 3.45Å; C526-C533 WeakPolarHBondContact CA-SG 3.2Å; C526-C533 HydrophobicContact CB-CB 3.48Å; C526-C533 VanDerWaalsContact CB-CB 3.48Å; C526-C533 WeakPolarHBondContact CB-SG 3.39Å; C526-C533 WeakPolarHBondContact SG-CB 2.98Å; C526-C533 CovalentContact SG-SG 2.03Å; C526-C533 PolarHBondContact SG-SG 2.86Å; C526-Y535 HydrophobicContact CB-CD2 4.34Å; C526-Y535 HydrophobicContact CB-CE2 3.89Å; C526-D672 CarbonylContact O-C 3.57Å; C526-D672 WeakPolarHBondContact O-CA 3.45Å; C526-I673 PolarHBondContact N-O 2.65Å; C526-I673 PolarHBondContact O-N 2.93Å
527	D	91.3	Very high	78.6	Confident	42 Å²	42	59.7 Å²	59.7	23%	0.225	36%	0.363	C	S	.	.			trans	-99.5	1.6	175	61.4	3.5	0	0	0	112.6	E529 T565 D672	D527-E529 HydrophobicContact CB-CG 4.37Å; D527-E529 PolarHBondContact O-N 2.88Å; D527-E529 PolarHBondContact OD1-N 2.91Å; D527-E529 VanDerWaalsContact OD1-N 3.1Å; D527-T565 HydrophobicContact CB-CG2 3.78Å; D527-D672 WeakPolarHBondContact CB-OD1 3.06Å
528	F	92.3	Very high	79.7	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	33%	0.329	C	S	.	.	S	Bend	trans	59.7	8.7	-177.3	-54.5	-71.3	0	0	0	117.2	C526 G531 L532 Q548 Y570 M572 L587 I673	C526-F528 WeakPolarHBondContact SG-CD1 2.99Å; C526-F528 WeakPolarHBondContact SG-CE1 3.45Å; F528-G531 WeakPolarHBondContact CA-O 3.34Å; F528-L532 HydrophobicContact CD1-CD2 4.26Å; F528-Q548 PolarHBondContact O-NE2 2.86Å; F528-Y570 WeakPolarHBondContact O-CB 3.28Å; F528-M572 HydrophobicContact CD1-CG 3.55Å; F528-M572 HydrophobicContact CD1-SD 4.33Å; F528-M572 HydrophobicContact CD2-CG 3.97Å; F528-M572 HydrophobicContact CE1-CB 4.5Å; F528-M572 HydrophobicContact CE1-CG 3.38Å; F528-M572 HydrophobicContact CE1-SD 4.47Å; F528-M572 HydrophobicContact CE2-CB 4.22Å; F528-M572 HydrophobicContact CE2-CG 3.8Å; F528-M572 HydrophobicContact CG-CG 3.84Å; F528-M572 HydrophobicContact CZ-CB 4.17Å; F528-M572 HydrophobicContact CZ-CG 3.5Å; F528-M572 VanDerWaalsContact CZ-CG 3.5Å; F528-L587 HydrophobicContact CE1-CD2 4.48Å; F528-L587 HydrophobicContact CZ-CD2 4.34Å; F528-I673 HydrophobicContact CE2-CD1 4.02Å; F528-I673 HydrophobicContact CE2-CG1 4.33Å; F528-I673 HydrophobicContact CZ-CD1 3.58Å; F528-I673 HydrophobicContact CZ-CG1 4.35Å
529	E	88.8	Confident	80.7	Confident	67 Å²	67	53.4 Å²	53.4	31%	0.313	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-37.4	-179.2	-66.1	-53.1	128.8	0	0	112.3	D527 G569 Y570	D527-E529 HydrophobicContact CB-CG 4.37Å; D527-E529 PolarHBondContact O-N 2.88Å; D527-E529 PolarHBondContact OD1-N 2.91Å; D527-E529 VanDerWaalsContact OD1-N 3.1Å; E529-G569 WeakPolarHBondContact OE1-CA 3.32Å; E529-G569 WeakPolarHBondContact OE2-CA 3.36Å; E529-Y570 PolarHBondContact OE1-N 2.86Å
530	A	84	Confident	81.8	Confident	87 Å²	87	57.9 Å²	57.9	72%	0.719	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.7	36.1	-179.9	0	0	0	0	0	112.5
531	G	85.4	Confident	82.6	Confident	25 Å²	25	61.3 Å²	61.3	26%	0.258	34%	0.337	S	S	.	.	S	Bend	trans	90.7	-157.3	-177.8	0	0	0	0	0	112.8	F528 C533	F528-G531 WeakPolarHBondContact CA-O 3.34Å; G531-C533 VanDerWaalsContact C-N 3.3Å; G531-C533 PolarHBondContact O-N 2.81Å
532	L	87.9	Confident	83.1	Confident	61 Å²	61	59.4 Å²	59.4	32%	0.319	32%	0.323	S	S	.	.			trans	-83.7	5.7	-169.2	-59.3	-177.9	0	0	0	114.9	F528 G534 Y535 M572	F528-L532 HydrophobicContact CD1-CD2 4.26Å; L532-G534 PolarHBondContact O-N 3.02Å; L532-Y535 WeakPolarHBondContact CB-O 3.07Å; L532-Y535 VanDerWaalsContact O-CB 3.3Å; L532-Y535 WeakPolarHBondContact O-CB 3.39Å; L532-Y535 VanDerWaalsContact O-CD2 3.29Å; L532-Y535 WeakPolarHBondContact O-CD2 3.44Å; L532-Y535 PolarHBondContact O-N 3.15Å; L532-M572 HydrophobicContact CD2-CE 3.93Å; L532-M572 HydrophobicContact CD2-CG 4.49Å; L532-M572 HydrophobicContact CD2-SD 3.5Å; L532-M572 VanDerWaalsContact CD2-SD 3.5Å
533	C	85.9	Confident	83.4	Confident	39 Å²	39	57.8 Å²	57.8	26%	0.264	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.2	23	-178.2	-31.2	0	0	0	0	115	C526 G531 Y535	C526-C533 WeakPolarHBondContact CA-SG 3.2Å; C526-C533 HydrophobicContact CB-CB 3.48Å; C526-C533 VanDerWaalsContact CB-CB 3.48Å; C526-C533 WeakPolarHBondContact CB-SG 3.39Å; C526-C533 WeakPolarHBondContact SG-CB 2.98Å; C526-C533 CovalentContact SG-SG 2.03Å; C526-C533 PolarHBondContact SG-SG 2.86Å; G531-C533 VanDerWaalsContact C-N 3.3Å; G531-C533 PolarHBondContact O-N 2.81Å; C533-Y535 HydrophobicContact CB-CD2 4.48Å
534	G	82.8	Confident	84	Confident	30 Å²	30	56.5 Å²	56.5	31%	0.309	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.2	1	-174.6	0	0	0	0	0	116.9	L532 R590	L532-G534 PolarHBondContact O-N 3.02Å; G534-R590 VanDerWaalsContact CA-NE 3.32Å; G534-R590 WeakPolarHBondContact O-CG 3.45Å
535	Y	90.4	Very high	84.5	Confident	25 Å²	25	57.5 Å²	57.5	10%	0.098	33%	0.325	C	S	.	.			trans	-66.7	146	166.6	-74	-99.7	0	0	0	110.9	C526 L532 C533 L587 L588 S589 F656 I673	C526-Y535 HydrophobicContact CB-CD2 4.34Å; C526-Y535 HydrophobicContact CB-CE2 3.89Å; L532-Y535 WeakPolarHBondContact CB-O 3.07Å; L532-Y535 VanDerWaalsContact O-CB 3.3Å; L532-Y535 WeakPolarHBondContact O-CB 3.39Å; L532-Y535 VanDerWaalsContact O-CD2 3.29Å; L532-Y535 WeakPolarHBondContact O-CD2 3.44Å; L532-Y535 PolarHBondContact O-N 3.15Å; C533-Y535 HydrophobicContact CB-CD2 4.48Å; Y535-L587 HydrophobicContact CD1-CD2 4.04Å; Y535-L587 HydrophobicContact CD1-CG 4.01Å; Y535-L587 HydrophobicContact CG-CD2 4.37Å; Y535-L587 HydrophobicContact CG-CG 4.45Å; Y535-L588 CarbonylContact C-O 3.56Å; Y535-L588 WeakPolarHBondContact CA-O 3.3Å; Y535-L588 WeakPolarHBondContact CB-O 3.47Å; Y535-L588 VanDerWaalsContact CD1-O 3.3Å; Y535-L588 WeakPolarHBondContact CD1-O 3.24Å; Y535-S589 VanDerWaalsContact CD1-CA 3.48Å; Y535-S589 VanDerWaalsContact CE1-CA 3.48Å; Y535-F656 HydrophobicContact CE1-CD2 4.22Å; Y535-F656 AromaticContact CE1-CE2 3.96Å; Y535-F656 HydrophobicContact CE1-CE2 3.96Å; Y535-I673 HydrophobicContact CE1-CD1 4.03Å; Y535-I673 HydrophobicContact CE2-CD1 4.3Å; Y535-I673 VanDerWaalsContact OH-CG2 3.25Å; Y535-I673 WeakPolarHBondContact OH-CG2 3.25Å
536	S	90.9	Very high	84.8	Confident	56 Å²	56	55.6 Å²	55.6	39%	0.392	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	153.7	-178.8	64.4	0	0	0	0	111.7	L588	S536-L588 PolarHBondContact N-O 2.84Å; S536-L588 WeakPolarHBondContact O-CD1 3.46Å; S536-L588 PolarHBondContact O-N 2.86Å
537	Q	90.4	Very high	84.9	Confident	44 Å²	44	59.3 Å²	59.3	21%	0.206	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	139.1	177.7	-60.7	-81.7	-18.9	0	0	110.3	K539 W546	Q537-K539 HydrophobicContact CB-CG 4.41Å; Q537-K539 PolarHBondContact O-N 3.29Å; Q537-W546 VanDerWaalsContact NE2-CB 3.3Å; Q537-W546 PolarHBondContact NE2-O 2.86Å
538	D	86.1	Confident	85.1	Confident	16 Å²	16	61.2 Å²	61.2	9%	0.086	34%	0.34	C	S	.	.			trans	-80.3	76	175	-160.4	-26.7	0	0	0	112.5	H540 R541 R586 L588	D538-H540 PolarHBondContact O-N 3.05Å; D538-H540 PolarHBondContact OD1-N 3.33Å; D538-R541 PolarHBondContact OD1-N 2.89Å; D538-R541 VanDerWaalsContact OD1-N 3.13Å; D538-R586 HydrophobicContact CB-CB 3.59Å; D538-R586 PolarHBondContact N-O 2.74Å; D538-R586 IonicContact OD2-CZ 3.16Å; D538-R586 IonicContact OD2-NE 3.61Å; D538-R586 PolarHBondContact OD2-NE 3.47Å; D538-R586 IonicContact OD2-NH2 2.68Å; D538-L588 HydrophobicContact CB-CD1 3.5Å; D538-L588 VanDerWaalsContact CB-CD1 3.5Å
539	K	75.7	Confident	85.1	Confident	175 Å²	175	64 Å²	64	76%	0.761	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-3.5	-177.2	-62.6	-176.3	-179.5	178.1	0	115.3	Q537	Q537-K539 HydrophobicContact CB-CG 4.41Å; Q537-K539 PolarHBondContact O-N 3.29Å
540	H	71.1	Confident	85.2	Confident	182 Å²	182	67.8 Å²	67.8	84%	0.843	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.1	-32.4	-172.9	-63.4	-62.7	0	0	0	113.2	D538	D538-H540 PolarHBondContact O-N 3.05Å; D538-H540 PolarHBondContact OD1-N 3.33Å
541	R	69.4	Low	85.4	Confident	148 Å²	148	64.4 Å²	64.4	56%	0.558	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.4	-6.8	-174.6	-60.2	-174.6	175.4	-158.2	1.9	114.1	D538 E625	D538-R541 PolarHBondContact OD1-N 2.89Å; D538-R541 VanDerWaalsContact OD1-N 3.13Å; R541-E625 IonicContact NH1-OE1 3.83Å
542	D	69.6	Low	85.7	Confident	33 Å²	33	65.7 Å²	65.7	18%	0.176	34%	0.339	C	S	.	.			trans	-122.2	165.8	-178.7	73.5	20	0	0	0	113.7	A544 S584 A585 R586	D542-A544 VanDerWaalsContact OD1-O 3.05Å; D542-S584 WeakPolarHBondContact CB-O 3.38Å; D542-A585 WeakPolarHBondContact OD2-CA 3.33Å; D542-R586 PolarHBondContact OD2-N 2.88Å
543	A	75.2	Confident	85.9	Confident	73 Å²	73	63.5 Å²	63.5	60%	0.603	33%	0.328	S	S	*	.	S	Bend	trans	-113.4	2.4	-178.7	0	0	0	0	0	112.5	Q583	A543-Q583 HydrophobicContact CB-CG 4.35Å
544	A	87	Confident	86.1	Confident	16 Å²	16	65.4 Å²	65.4	13%	0.132	34%	0.34	C	S	.	.	S	Bend	trans	-145.7	161.7	-176.5	0	0	0	0	0	109.5	D542 M579 A585	D542-A544 VanDerWaalsContact OD1-O 3.05Å; A544-M579 HydrophobicContact CB-CE 3.54Å; A544-M579 HydrophobicContact CB-CG 3.72Å; A544-M579 HydrophobicContact CB-SD 3.83Å; A544-A585 HydrophobicContact CB-CB 4.16Å; A544-A585 WeakPolarHBondContact O-CA 3.48Å; A544-A585 VanDerWaalsContact O-CB 3.23Å; A544-A585 WeakPolarHBondContact O-CB 3.19Å
545	A	90.8	Very high	86.5	Confident	39 Å²	39	65.1 Å²	65.1	32%	0.322	33%	0.333	S	S	.	.			trans	-120.4	152.5	-176.8	0	0	0	0	0	111.7	H547	A545-H547 PolarHBondContact O-NE2 2.86Å
546	W	95.1	Very high	86.5	Confident	5 Å²	5	68 Å²	68	2%	0.019	36%	0.356	C	S	.	.			trans	-73.1	148.9	159.6	-65.6	80.2	0	0	0	109.9	Q537 M572 Y573 I574 A585 L587 L615 F656 A658 I668 I670	Q537-W546 VanDerWaalsContact NE2-CB 3.3Å; Q537-W546 PolarHBondContact NE2-O 2.86Å; W546-M572 HydrophobicContact CB-CE 3.47Å; W546-M572 VanDerWaalsContact CB-CE 3.47Å; W546-M572 HydrophobicContact CE3-CB 4.06Å; W546-Y573 CarbonylContact C-O 3.51Å; W546-Y573 WeakPolarHBondContact CA-O 3.36Å; W546-I574 HydrophobicContact CD2-CG2 3.85Å; W546-I574 HydrophobicContact CE3-CG2 4.13Å; W546-I574 HydrophobicContact CG-CG2 4.15Å; W546-A585 HydrophobicContact CG-CB 4.44Å; W546-A585 PolarHBondContact NE1-O 3.12Å; W546-A585 VanDerWaalsContact NE1-O 3.1Å; W546-L587 HydrophobicContact CD2-CB 4.41Å; W546-L587 HydrophobicContact CG-CB 4.08Å; W546-L615 HydrophobicContact CH2-CD1 3.98Å; W546-L615 HydrophobicContact CZ2-CD1 4.13Å; W546-F656 HydrophobicContact CZ2-CB 4.19Å; W546-F656 PolarHBondContact NE1-O 2.79Å; W546-A658 HydrophobicContact CH2-CB 3.68Å; W546-A658 HydrophobicContact CZ2-CB 3.35Å; W546-I668 HydrophobicContact CH2-CG2 4.45Å; W546-I670 HydrophobicContact CE3-CD1 4.5Å; W546-I670 HydrophobicContact CE3-CG1 4.37Å; W546-I670 HydrophobicContact CH2-CD1 4.01Å; W546-I670 HydrophobicContact CH2-CG1 4.11Å; W546-I670 HydrophobicContact CH2-CG2 3.89Å; W546-I670 HydrophobicContact CZ2-CD1 4.46Å; W546-I670 HydrophobicContact CZ3-CB 4.44Å; W546-I670 HydrophobicContact CZ3-CD1 4.04Å; W546-I670 HydrophobicContact CZ3-CG1 3.76Å; W546-I670 HydrophobicContact CZ3-CG2 4.18Å
547	H	93.9	Very high	86.4	Confident	82 Å²	82	72.6 Å²	72.6	38%	0.38	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	136.1	179.9	-60.8	-61.3	0	0	0	109.3	A545 M572 Y573	A545-H547 PolarHBondContact O-NE2 2.86Å; H547-M572 WeakPolarHBondContact O-CA 3.31Å; H547-Y573 HydrophobicContact CB-CD1 4.05Å; H547-Y573 HydrophobicContact CB-CE1 3.52Å; H547-Y573 PolarHBondContact N-O 2.77Å; H547-Y573 WeakPolarHBondContact O-CD1 3.48Å; H547-Y573 PolarHBondContact O-N 3.16Å
548	Q	94.8	Very high	86.5	Confident	82 Å²	82	71 Å²	71	38%	0.383	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	135.1	169.9	-164.7	-168.3	27.7	0	0	108.7	F528 Y570 Y571 M572	F528-Q548 PolarHBondContact O-NE2 2.86Å; Q548-Y570 HydrophobicContact CG-CD1 3.91Å; Q548-Y570 HydrophobicContact CG-CG 4.39Å; Q548-Y571 CarbonylContact C-O 3.57Å; Q548-Y571 WeakPolarHBondContact CA-O 3.36Å; Q548-M572 VanDerWaalsContact CA-SD 3.53Å; Q548-M572 HydrophobicContact CB-SD 3.66Å; Q548-M572 HydrophobicContact CG-SD 4.06Å
549	R	92.5	Very high	86.7	Confident	58 Å²	58	70.6 Å²	70.6	22%	0.219	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	151.4	-175.9	-165.2	157	-173.8	-73.2	5.9	114	G551 P552 T553 Y570 Y571 Y573	R549-G551 PolarHBondContact NH1-O 3.41Å; R549-P552 PolarHBondContact NH1-O 2.72Å; R549-P552 PolarHBondContact NH2-O 2.84Å; R549-T553 VanDerWaalsContact NH1-N 3.16Å; R549-Y570 WeakPolarHBondContact O-CA 3.36Å; R549-Y571 HydrophobicContact CB-CE2 4.33Å; R549-Y571 PolarHBondContact N-O 3.03Å; R549-Y571 PolarHBondContact NH1-OH 3.41Å; R549-Y571 WeakPolarHBondContact O-CD1 3.39Å; R549-Y571 WeakPolarHBondContact O-CE1 3.38Å; R549-Y571 PolarHBondContact O-N 3.1Å; R549-Y573 HydrophobicContact CB-CD1 3.73Å; R549-Y573 HydrophobicContact CB-CE1 3.47Å; R549-Y573 VanDerWaalsContact CB-CE1 3.47Å; R549-Y573 WeakPolarHBondContact CD-OH 3.4Å; R549-Y573 HydrophobicContact CG-CE1 4Å
550	R	91.1	Very high	87.5	Confident	148 Å²	148	62.3 Å²	62.3	56%	0.558	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.6	135.1	173.1	-179.4	174.6	-165.9	-118.9	-7.8	110.4	L568 G569 Y570	R550-L568 VanDerWaalsContact CZ-O 3.25Å; R550-L568 PolarHBondContact NE-O 2.88Å; R550-L568 PolarHBondContact NH2-O 3.4Å; R550-G569 WeakPolarHBondContact CA-O 3.24Å; R550-G569 WeakPolarHBondContact CB-O 3.3Å; R550-G569 WeakPolarHBondContact CG-O 3.29Å; R550-Y570 HydrophobicContact CB-CD1 4.11Å; R550-Y570 HydrophobicContact CB-CE1 4.01Å
551	G	88.2	Confident	88.3	Confident	15 Å²	15	60.7 Å²	60.7	16%	0.155	31%	0.31	C	S	.	.	S	Bend	trans	74.1	-162.8	179.4	0	0	0	0	0	114.9	R549 R561 Y571	R549-G551 PolarHBondContact NH1-O 3.41Å; G551-R561 CarbonylContact C-O 3.58Å; G551-R561 VanDerWaalsContact C-O 3.28Å; G551-R561 WeakPolarHBondContact CA-O 3.37Å; G551-Y571 WeakPolarHBondContact O-CE1 3.39Å; G551-Y571 PolarHBondContact O-OH 3.34Å
552	P	90.4	Very high	89.2	Confident	52 Å²	52	53.8 Å²	53.8	34%	0.338	29%	0.285	S	S	.	.	S	Bend	trans	-82.1	134.6	-164.6	31.1	-37.1	0	0	0	114.6	R549 P560 R561	R549-P552 PolarHBondContact NH1-O 2.72Å; R549-P552 PolarHBondContact NH2-O 2.84Å; P552-P560 VanDerWaalsContact CA-O 3.31Å; P552-P560 WeakPolarHBondContact CA-O 3.22Å; P552-R561 WeakPolarHBondContact CD-O 3.41Å
553	T	91.9	Very high	90.2	Very high	15 Å²	15	52.4 Å²	52.4	9%	0.092	28%	0.277	C	S	.	.			trans	-55.2	152.8	-172.7	66.1	0	0	0	0	113.7	R549 T555 T558 Y573 D667	R549-T553 VanDerWaalsContact NH1-N 3.16Å; T553-T555 VanDerWaalsContact C-N 3.3Å; T553-T555 PolarHBondContact O-N 2.89Å; T553-T555 PolarHBondContact OG1-O 2.77Å; T553-T558 PolarHBondContact OG1-O 2.62Å; T553-T558 VanDerWaalsContact OG1-O 3.12Å; T553-Y573 HydrophobicContact CG2-CD2 3.54Å; T553-Y573 HydrophobicContact CG2-CE2 3.65Å; T553-Y573 HydrophobicContact CG2-CG 4.26Å; T553-D667 VanDerWaalsContact CB-OD2 3.24Å; T553-D667 WeakPolarHBondContact CB-OD2 3.49Å; T553-D667 PolarHBondContact OG1-OD2 3.23Å
554	P	91.3	Very high	90.9	Very high	80 Å²	80	49.5 Å²	49.5	52%	0.519	25%	0.251	S	S	.	.	S	Bend	trans	-57	-40.4	179.5	-23.3	32.1	0	0	0	113.5	E575	P554-E575 WeakPolarHBondContact CD-OE2 3.18Å; P554-E575 WeakPolarHBondContact CG-OE2 3.48Å
555	T	90.9	Very high	90.8	Very high	24 Å²	24	49.9 Å²	49.9	15%	0.147	25%	0.252	C	S	.	.	S	Bend	trans	-78.8	127	-178.6	-59.8	0	0	0	0	110.7	T553 T558 E575 R665	T553-T555 VanDerWaalsContact C-N 3.3Å; T553-T555 PolarHBondContact O-N 2.89Å; T553-T555 PolarHBondContact OG1-O 2.77Å; T555-T558 HydrophobicContact CG2-CG2 3.54Å; T555-T558 WeakPolarHBondContact O-CG2 3.44Å; T555-E575 PolarHBondContact OG1-OE1 2.77Å; T555-R665 HydrophobicContact CG2-CG 4.47Å
556	S	89.9	Confident	90.4	Very high	85 Å²	85	49.6 Å²	49.6	59%	0.594	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71	148.6	179.7	-62.8	0	0	0	0	112.3	T558	S556-T558 VanDerWaalsContact C-N 3.31Å
557	Y	88.8	Confident	89.9	Confident	153 Å²	153	49.5 Å²	49.5	60%	0.6	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	62	33.6	179.1	-54.4	-85.8	0	0	0	114.4	Y608	Y557-Y608 WeakPolarHBondContact O-CE1 3.31Å
558	T	92.3	Very high	89.5	Confident	9 Å²	9	49.8 Å²	49.8	6%	0.055	25%	0.251	C	S	.	.	S	Bend	trans	-154.8	166.4	173.8	176.5	0	0	0	0	108	T553 T555 S556 Y608 R665 D667	T553-T558 PolarHBondContact OG1-O 2.62Å; T553-T558 VanDerWaalsContact OG1-O 3.12Å; T555-T558 HydrophobicContact CG2-CG2 3.54Å; T555-T558 WeakPolarHBondContact O-CG2 3.44Å; S556-T558 VanDerWaalsContact C-N 3.31Å; T558-Y608 WeakPolarHBondContact CA-O 3.41Å; T558-Y608 WeakPolarHBondContact CB-O 3.45Å; T558-Y608 PolarHBondContact OG1-O 3.16Å; T558-Y608 VanDerWaalsContact OG1-O 3.12Å; T558-R665 HydrophobicContact CG2-CB 4.34Å; T558-D667 HydrophobicContact CG2-CB 4.36Å; T558-D667 WeakPolarHBondContact CG2-OD2 3.48Å; T558-D667 WeakPolarHBondContact OG1-CB 3.43Å; T558-D667 PolarHBondContact OG1-N 3.34Å; T558-D667 PolarHBondContact OG1-OD2 2.64Å
559	G	91.3	Very high	89.1	Confident	8 Å²	8	46 Å²	46	8%	0.082	23%	0.234	C	C	.	.	S	Bend	trans	66.5	165.6	175.5	0	0	0	0	0	115.3	H606	G559-H606 PolarHBondContact O-CE1 2.86Å
560	P	92	Very high	89.1	Confident	2 Å²	2	47.6 Å²	47.6	1%	0.013	24%	0.24	C	C	.	.			trans	-77.7	161.7	-178.8	33.5	-37.8	0	0	0	111.2	P552 G562 Y571 H606 W639 A669	P552-P560 VanDerWaalsContact CA-O 3.31Å; P552-P560 WeakPolarHBondContact CA-O 3.22Å; P560-G562 WeakPolarHBondContact CB-O 3.41Å; P560-Y571 HydrophobicContact CG-CD2 3.96Å; P560-Y571 HydrophobicContact CG-CE1 4.08Å; P560-Y571 HydrophobicContact CG-CE2 3.46Å; P560-Y571 VanDerWaalsContact CG-CE2 3.46Å; P560-Y571 HydrophobicContact CG-CG 4.46Å; P560-H606 HydrophobicContact CB-CB 4.22Å; P560-H606 HydrophobicContact CG-CB 4.42Å; P560-W639 HydrophobicContact CB-CH2 4.37Å; P560-W639 HydrophobicContact CB-CZ2 3.53Å; P560-W639 HydrophobicContact CG-CH2 4.03Å; P560-W639 HydrophobicContact CG-CZ2 3.52Å; P560-A669 HydrophobicContact CG-CB 3.87Å
561	R	87.8	Confident	89.3	Confident	147 Å²	147	40.5 Å²	40.5	56%	0.555	21%	0.214	S	C	*	.	S	Bend	trans	-85.9	-16.9	176.4	-74.4	-177.3	-179.1	-179.9	4	113.6	R471 I473 G551 P552	R471-R561 PolarHBondContact O-NH1 3.41Å; I473-R561 HydrophobicContact CG2-CB 3.45Å; I473-R561 VanDerWaalsContact CG2-CB 3.45Å; I473-R561 HydrophobicContact CG2-CG 4.29Å; G551-R561 CarbonylContact C-O 3.58Å; G551-R561 VanDerWaalsContact C-O 3.28Å; G551-R561 WeakPolarHBondContact CA-O 3.37Å; P552-R561 WeakPolarHBondContact CD-O 3.41Å
562	G	88.4	Confident	89.7	Confident	3 Å²	3	39.9 Å²	39.9	3%	0.031	21%	0.206	C	C	.	.	S	Bend	trans	-170.2	169.6	-179.1	0	0	0	0	0	108.7	P560 W639	P560-G562 WeakPolarHBondContact CB-O 3.41Å; G562-W639 WeakPolarHBondContact O-CZ2 3.34Å; G562-W639 PolarHBondContact O-NE1 2.87Å
563	D	90.7	Very high	90.1	Very high	5 Å²	5	38 Å²	38	3%	0.027	19%	0.193	C	C	.	.			trans	-57.2	167.6	169.5	65.5	-49	0	0	0	111.5	T565 T566 G567 L568 G569 Y571 W639 D671	D563-T565 WeakPolarHBondContact OD2-CB 3.48Å; D563-T565 PolarHBondContact OD2-N 3.32Å; D563-T566 PolarHBondContact OD2-N 2.03Å; D563-T566 PolarHBondContact OD2-OG1 3.4Å; D563-G567 WeakPolarHBondContact O-CA 3.32Å; D563-G567 PolarHBondContact O-N 3.5Å; D563-G567 WeakPolarHBondContact OD1-CA 3.44Å; D563-G567 PolarHBondContact OD1-N 3.05Å; D563-G567 PolarHBondContact OD2-N 2.9Å; D563-L568 PolarHBondContact OD1-N 3Å; D563-G569 VanDerWaalsContact CG-C 3.5Å; D563-G569 VanDerWaalsContact CG-CA 3.43Å; D563-G569 WeakPolarHBondContact OD1-CA 3.05Å; D563-G569 PolarHBondContact OD1-N 2.94Å; D563-G569 WeakPolarHBondContact OD2-CA 3.4Å; D563-G569 PolarHBondContact OD2-N 3.46Å; D563-Y571 HydrophobicContact CB-CD1 3.96Å; D563-W639 PolarHBondContact O-NE1 3.42Å; D563-D671 WeakPolarHBondContact CA-OD2 3.25Å; D563-D671 WeakPolarHBondContact CB-OD2 3.47Å
564	H	90.4	Very high	90.3	Very high	12 Å²	12	37.3 Å²	37.3	6%	0.056	19%	0.189	C	C	.	.	S	Bend	trans	-81	-44.9	172.8	-178.4	-96.3	0	0	0	110.8	H396 T566 F604 W639 D671 D672	H396-H564 AromaticContact CE1-CE1 3.79Å; H396-H564 AromaticContact CE1-NE2 3.95Å; H396-H564 AromaticContact NE2-CE1 3.78Å; H396-H564 AromaticContact NE2-NE2 3.67Å; H396-H564 PolarHBondContact NE2-O 2.76Å; H396-H564 PolarHBondContact O-NE2 3.1Å; H396-H564 VanDerWaalsContact O-NE2 3.11Å; H564-T566 PolarHBondContact O-N 3.49Å; H564-F604 HydrophobicContact CB-CB 4.24Å; H564-F604 HydrophobicContact CB-CG 4.45Å; H564-F604 AromaticContact CD2-CD1 3.47Å; H564-F604 VanDerWaalsContact CD2-CD1 3.47Å; H564-F604 WeakPolarHBondContact CD2-CD1 3.4Å; H564-F604 AromaticContact CD2-CE1 3.79Å; H564-F604 AromaticContact CD2-CG 3.89Å; H564-F604 AromaticContact CE1-CD1 3.54Å; H564-F604 AromaticContact CE1-CD2 3.73Å; H564-F604 AromaticContact CE1-CE1 3.24Å; H564-F604 WeakPolarHBondContact CE1-CE1 3.41Å; H564-F604 AromaticContact CE1-CE2 3.44Å; H564-F604 VanDerWaalsContact CE1-CE2 3.44Å; H564-F604 WeakPolarHBondContact CE1-CE2 3.28Å; H564-F604 AromaticContact CE1-CG 3.75Å; H564-F604 AromaticContact CE1-CZ 3.17Å; H564-F604 WeakPolarHBondContact CE1-CZ 3.1Å; H564-F604 AromaticContact CG-CD1 3.79Å; H564-F604 AromaticContact CG-CG 3.7Å; H564-F604 AromaticContact ND1-CD1 3.82Å; H564-F604 AromaticContact ND1-CD2 3.59Å; H564-F604 AromaticContact ND1-CE1 3.96Å; H564-F604 AromaticContact ND1-CE2 3.74Å; H564-F604 AromaticContact ND1-CG 3.61Å; H564-F604 AromaticContact ND1-CZ 3.9Å; H564-F604 AromaticContact NE2-CD1 3.27Å; H564-F604 VanDerWaalsContact NE2-CD1 3.27Å; H564-F604 WeakPolarHBondContact NE2-CD1 2.82Å; H564-F604 AromaticContact NE2-CE1 3.05Å; H564-F604 WeakPolarHBondContact NE2-CE1 3.34Å; H564-F604 AromaticContact NE2-CG 3.89Å; H564-F604 AromaticContact NE2-CZ 3.52Å; H564-W639 HydrophobicContact CB-CB 4.4Å; H564-W639 HydrophobicContact CB-CD2 3.93Å; H564-W639 HydrophobicContact CB-CE3 4.43Å; H564-W639 HydrophobicContact CB-CG 3.89Å; H564-W639 AromaticContact CD2-CG 3.87Å; H564-D671 HydrophobicContact CB-CB 3.97Å; H564-D671 PolarHBondContact N-OD2 3.18Å; H564-D672 IonicContact CE1-OD2 2.73Å; H564-D672 IonicContact CG-OD2 3.58Å; H564-D672 IonicContact ND1-OD2 2.7Å; H564-D672 PolarHBondContact ND1-OD2 2.64Å
565	T	84.4	Confident	90.5	Very high	23 Å²	23	34.2 Å²	34.2	14%	0.141	17%	0.167	C	C	.	.	S	Bend	trans	-49.8	-49.4	-172	-40.7	0	0	0	0	113.9	F436 D527 D563 D672	F436-T565 VanDerWaalsContact CE1-O 3.22Å; F436-T565 WeakPolarHBondContact CE1-O 3.47Å; F436-T565 VanDerWaalsContact CZ-O 3.29Å; F436-T565 WeakPolarHBondContact CZ-O 3.24Å; D527-T565 HydrophobicContact CB-CG2 3.78Å; D563-T565 WeakPolarHBondContact OD2-CB 3.48Å; D563-T565 PolarHBondContact OD2-N 3.32Å; T565-D672 WeakPolarHBondContact CA-OD2 3.15Å; T565-D672 PolarHBondContact N-OD2 2.89Å; T565-D672 PolarHBondContact OG1-OD1 2.7Å
566	T	82.8	Confident	90.6	Very high	34 Å²	34	33.1 Å²	33.1	21%	0.209	16%	0.16	C	C	.	.	S	Bend	trans	-134.1	-11.9	-173.6	69.3	0	0	0	0	113.5	I475 S476 D563 H564 L568 G569	I475-T566 CarbonylContact C-O 3.51Å; I475-T566 WeakPolarHBondContact CA-O 3.38Å; S476-T566 PolarHBondContact N-O 3.08Å; S476-T566 VanDerWaalsContact OG-CA 3.3Å; S476-T566 WeakPolarHBondContact OG-CA 3.21Å; S476-T566 VanDerWaalsContact OG-CB 3.24Å; S476-T566 WeakPolarHBondContact OG-CB 3.49Å; S476-T566 WeakPolarHBondContact OG-CG2 3.38Å; D563-T566 PolarHBondContact OD2-N 2.03Å; D563-T566 PolarHBondContact OD2-OG1 3.4Å; H564-T566 PolarHBondContact O-N 3.49Å; T566-L568 PolarHBondContact O-N 2.9Å; T566-L568 PolarHBondContact OG1-N 2.87Å; T566-G569 PolarHBondContact OG1-N 3.48Å
567	G	83.6	Confident	90.8	Very high	2 Å²	2	31.8 Å²	31.8	2%	0.021	15%	0.151	C	C	.	.	S	Bend	trans	75.3	-14.2	-170.3	0	0	0	0	0	115.2	I473 W474 D563	I473-G567 WeakPolarHBondContact CD1-O 3.44Å; W474-G567 VanDerWaalsContact O-CA 3.31Å; W474-G567 WeakPolarHBondContact O-CA 3.19Å; D563-G567 WeakPolarHBondContact O-CA 3.32Å; D563-G567 PolarHBondContact O-N 3.5Å; D563-G567 WeakPolarHBondContact OD1-CA 3.44Å; D563-G567 PolarHBondContact OD1-N 3.05Å; D563-G567 PolarHBondContact OD2-N 2.9Å
568	L	85.3	Confident	91	Very high	89 Å²	89	29.2 Å²	29.2	47%	0.466	15%	0.153	S	C	.	.	S	Bend	trans	-126.7	6.2	-179.9	-60.9	178	0	0	0	114.2	I475 R550 D563 T566	I475-L568 HydrophobicContact CG2-CD1 4.05Å; I475-L568 HydrophobicContact CG2-CG 4.29Å; R550-L568 VanDerWaalsContact CZ-O 3.25Å; R550-L568 PolarHBondContact NE-O 2.88Å; R550-L568 PolarHBondContact NH2-O 3.4Å; D563-L568 PolarHBondContact OD1-N 3Å; T566-L568 PolarHBondContact O-N 2.9Å; T566-L568 PolarHBondContact OG1-N 2.87Å
569	G	87.8	Confident	91	Very high	3 Å²	3	29.3 Å²	29.3	3%	0.031	15%	0.153	C	C	.	.	S	Bend	trans	-93.8	-149.1	180	0	0	0	0	0	113.3	E529 R550 D563 T566	E529-G569 WeakPolarHBondContact OE1-CA 3.32Å; E529-G569 WeakPolarHBondContact OE2-CA 3.36Å; R550-G569 WeakPolarHBondContact CA-O 3.24Å; R550-G569 WeakPolarHBondContact CB-O 3.3Å; R550-G569 WeakPolarHBondContact CG-O 3.29Å; D563-G569 VanDerWaalsContact CG-C 3.5Å; D563-G569 VanDerWaalsContact CG-CA 3.43Å; D563-G569 WeakPolarHBondContact OD1-CA 3.05Å; D563-G569 PolarHBondContact OD1-N 2.94Å; D563-G569 WeakPolarHBondContact OD2-CA 3.4Å; D563-G569 PolarHBondContact OD2-N 3.46Å; T566-G569 PolarHBondContact OG1-N 3.48Å
570	Y	91.9	Very high	91.2	Very high	90 Å²	90	34.4 Å²	34.4	35%	0.353	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	141.9	-172.6	-70.8	-86.9	0	0	0	111.7	F528 E529 Q548 R549 R550	F528-Y570 WeakPolarHBondContact O-CB 3.28Å; E529-Y570 PolarHBondContact OE1-N 2.86Å; Q548-Y570 HydrophobicContact CG-CD1 3.91Å; Q548-Y570 HydrophobicContact CG-CG 4.39Å; R549-Y570 WeakPolarHBondContact O-CA 3.36Å; R550-Y570 HydrophobicContact CB-CD1 4.11Å; R550-Y570 HydrophobicContact CB-CE1 4.01Å
571	Y	95.9	Very high	91.3	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	167.6	172	61	-88.1	0	0	0	110.1	Q548 R549 G551 P560 D563 Y573 W639 A669 D671	Q548-Y571 CarbonylContact C-O 3.57Å; Q548-Y571 WeakPolarHBondContact CA-O 3.36Å; R549-Y571 HydrophobicContact CB-CE2 4.33Å; R549-Y571 PolarHBondContact N-O 3.03Å; R549-Y571 PolarHBondContact NH1-OH 3.41Å; R549-Y571 WeakPolarHBondContact O-CD1 3.39Å; R549-Y571 WeakPolarHBondContact O-CE1 3.38Å; R549-Y571 PolarHBondContact O-N 3.1Å; G551-Y571 WeakPolarHBondContact O-CE1 3.39Å; G551-Y571 PolarHBondContact O-OH 3.34Å; P560-Y571 HydrophobicContact CG-CD2 3.96Å; P560-Y571 HydrophobicContact CG-CE1 4.08Å; P560-Y571 HydrophobicContact CG-CE2 3.46Å; P560-Y571 VanDerWaalsContact CG-CE2 3.46Å; P560-Y571 HydrophobicContact CG-CG 4.46Å; D563-Y571 HydrophobicContact CB-CD1 3.96Å; Y571-Y573 AromaticContact CE2-CD1 3.95Å; Y571-Y573 HydrophobicContact CE2-CD1 3.95Å; Y571-Y573 AromaticContact CE2-CG 3.9Å; Y571-Y573 HydrophobicContact CE2-CG 3.9Å; Y571-W639 HydrophobicContact CD1-CZ2 4.4Å; Y571-W639 HydrophobicContact CD2-CH2 4.12Å; Y571-W639 HydrophobicContact CD2-CZ2 4.31Å; Y571-W639 HydrophobicContact CG-CH2 4.07Å; Y571-W639 HydrophobicContact CG-CZ2 4.01Å; Y571-A669 HydrophobicContact CD2-CB 3.81Å; Y571-A669 HydrophobicContact CE2-CB 4.08Å; Y571-D671 WeakPolarHBondContact CB-OD2 3.17Å
572	M	97.1	Very high	91.6	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.005	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	135.6	173.8	-69	-61.2	-70.2	0	0	111	F528 L532 W546 H547 Q548 L587 A669 I670	F528-M572 HydrophobicContact CD1-CG 3.55Å; F528-M572 HydrophobicContact CD1-SD 4.33Å; F528-M572 HydrophobicContact CD2-CG 3.97Å; F528-M572 HydrophobicContact CE1-CB 4.5Å; F528-M572 HydrophobicContact CE1-CG 3.38Å; F528-M572 HydrophobicContact CE1-SD 4.47Å; F528-M572 HydrophobicContact CE2-CB 4.22Å; F528-M572 HydrophobicContact CE2-CG 3.8Å; F528-M572 HydrophobicContact CG-CG 3.84Å; F528-M572 HydrophobicContact CZ-CB 4.17Å; F528-M572 HydrophobicContact CZ-CG 3.5Å; F528-M572 VanDerWaalsContact CZ-CG 3.5Å; L532-M572 HydrophobicContact CD2-CE 3.93Å; L532-M572 HydrophobicContact CD2-CG 4.49Å; L532-M572 HydrophobicContact CD2-SD 3.5Å; L532-M572 VanDerWaalsContact CD2-SD 3.5Å; W546-M572 HydrophobicContact CB-CE 3.47Å; W546-M572 VanDerWaalsContact CB-CE 3.47Å; W546-M572 HydrophobicContact CE3-CB 4.06Å; H547-M572 WeakPolarHBondContact O-CA 3.31Å; Q548-M572 VanDerWaalsContact CA-SD 3.53Å; Q548-M572 HydrophobicContact CB-SD 3.66Å; Q548-M572 HydrophobicContact CG-SD 4.06Å; M572-L587 HydrophobicContact CE-CD1 4.03Å; M572-L587 HydrophobicContact CE-CD2 4.39Å; M572-L587 HydrophobicContact CG-CD2 4.29Å; M572-A669 CarbonylContact O-C 3.59Å; M572-A669 WeakPolarHBondContact O-CA 3.45Å; M572-A669 WeakPolarHBondContact O-CB 3.41Å; M572-I670 HydrophobicContact CB-CG1 3.91Å; M572-I670 PolarHBondContact N-O 3.02Å; M572-I670 VanDerWaalsContact N-O 3.11Å; M572-I670 PolarHBondContact O-N 3.24Å
573	Y	97.1	Very high	91.9	Very high	14 Å²	14	36 Å²	36	6%	0.055	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	158.9	175.4	81.9	-59.1	0	0	0	113.2	W546 H547 R549 T553 Y571 E575 D667 I668	W546-Y573 CarbonylContact C-O 3.51Å; W546-Y573 WeakPolarHBondContact CA-O 3.36Å; H547-Y573 HydrophobicContact CB-CD1 4.05Å; H547-Y573 HydrophobicContact CB-CE1 3.52Å; H547-Y573 PolarHBondContact N-O 2.77Å; H547-Y573 WeakPolarHBondContact O-CD1 3.48Å; H547-Y573 PolarHBondContact O-N 3.16Å; R549-Y573 HydrophobicContact CB-CD1 3.73Å; R549-Y573 HydrophobicContact CB-CE1 3.47Å; R549-Y573 VanDerWaalsContact CB-CE1 3.47Å; R549-Y573 WeakPolarHBondContact CD-OH 3.4Å; R549-Y573 HydrophobicContact CG-CE1 4Å; T553-Y573 HydrophobicContact CG2-CD2 3.54Å; T553-Y573 HydrophobicContact CG2-CE2 3.65Å; T553-Y573 HydrophobicContact CG2-CG 4.26Å; Y571-Y573 AromaticContact CE2-CD1 3.95Å; Y571-Y573 HydrophobicContact CE2-CD1 3.95Å; Y571-Y573 AromaticContact CE2-CG 3.9Å; Y571-Y573 HydrophobicContact CE2-CG 3.9Å; Y573-E575 HydrophobicContact CE2-CB 3.76Å; Y573-D667 HydrophobicContact CD2-CB 4.38Å; Y573-I668 CarbonylContact C-O 3.55Å; Y573-I668 WeakPolarHBondContact CA-O 3.35Å; Y573-I668 WeakPolarHBondContact CB-O 3.37Å
574	I	96.4	Very high	92.1	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	133.1	162.2	60.9	162.3	0	0	0	109.6	W546 M579 A585 A658 D667 I668	W546-I574 HydrophobicContact CD2-CG2 3.85Å; W546-I574 HydrophobicContact CE3-CG2 4.13Å; W546-I574 HydrophobicContact CG-CG2 4.15Å; I574-M579 HydrophobicContact CB-SD 4.17Å; I574-M579 HydrophobicContact CD1-CE 4.26Å; I574-M579 HydrophobicContact CD1-SD 4.09Å; I574-A585 HydrophobicContact CG2-CB 3.68Å; I574-A658 HydrophobicContact CD1-CB 3.66Å; I574-A658 HydrophobicContact CG1-CB 3.99Å; I574-A658 HydrophobicContact CG2-CB 3.89Å; I574-D667 WeakPolarHBondContact O-CA 3.49Å; I574-D667 WeakPolarHBondContact O-CB 3.19Å; I574-I668 HydrophobicContact CD1-CB 4.24Å; I574-I668 HydrophobicContact CD1-CD1 4.31Å; I574-I668 HydrophobicContact CD1-CG1 4.33Å; I574-I668 HydrophobicContact CG1-CB 3.93Å; I574-I668 HydrophobicContact CG1-CG1 4.48Å; I574-I668 PolarHBondContact N-O 2.96Å
575	E	95.3	Very high	92.3	Very high	15 Å²	15	36.3 Å²	36.3	7%	0.07	22%	0.216	C	C	.	.			trans	-87.3	111.7	168.6	175.2	48.8	-121.3	0	0	107.5	P554 T555 Y573 S577 P578	P554-E575 WeakPolarHBondContact CD-OE2 3.18Å; P554-E575 WeakPolarHBondContact CG-OE2 3.48Å; T555-E575 PolarHBondContact OG1-OE1 2.77Å; Y573-E575 HydrophobicContact CE2-CB 3.76Å; E575-S577 VanDerWaalsContact OE1-CB 3.25Å; E575-S577 WeakPolarHBondContact OE1-CB 3.46Å; E575-S577 PolarHBondContact OE1-N 3.06Å; E575-S577 PolarHBondContact OE1-OG 2.91Å; E575-P578 HydrophobicContact CG-CG 4.27Å; E575-P578 VanDerWaalsContact O-CD 3.31Å; E575-P578 WeakPolarHBondContact O-CD 3.43Å
576	A	94.3	Very high	92.9	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.212	C	C	.	.			trans	-70.8	-37.5	-173.7	0	0	0	0	0	111.4	P578 M579 R660 V664 S666 D667	A576-P578 VanDerWaalsContact C-CD 3.48Å; A576-P578 VanDerWaalsContact O-N 3.14Å; A576-M579 WeakPolarHBondContact O-CB 3.44Å; A576-M579 PolarHBondContact O-N 3.12Å; A576-R660 HydrophobicContact CB-CG 4.35Å; A576-R660 WeakPolarHBondContact O-CD 3.25Å; A576-R660 PolarHBondContact O-NH1 2.98Å; A576-V664 WeakPolarHBondContact CB-O 3.45Å; A576-S666 VanDerWaalsContact CB-C 3.46Å; A576-D667 WeakPolarHBondContact CB-OD1 3.47Å; A576-D667 PolarHBondContact N-OD1 2.94Å
577	S	93.2	Very high	93.5	Very high	58 Å²	58	34.2 Å²	34.2	41%	0.406	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.2	-42.3	-169.7	59.8	0	0	0	0	116.9	E575 R660	E575-S577 VanDerWaalsContact OE1-CB 3.25Å; E575-S577 WeakPolarHBondContact OE1-CB 3.46Å; E575-S577 PolarHBondContact OE1-N 3.06Å; E575-S577 PolarHBondContact OE1-OG 2.91Å; S577-R660 PolarHBondContact O-NH1 3.48Å; S577-R660 VanDerWaalsContact O-NH1 3.12Å
578	P	92.5	Very high	94	Very high	99 Å²	99	34.9 Å²	34.9	64%	0.643	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-14.5	177.4	33.5	-38.3	0	0	0	114.6	E575 A576	E575-P578 HydrophobicContact CG-CG 4.27Å; E575-P578 VanDerWaalsContact O-CD 3.31Å; E575-P578 WeakPolarHBondContact O-CD 3.43Å; A576-P578 VanDerWaalsContact C-CD 3.48Å; A576-P578 VanDerWaalsContact O-N 3.14Å
579	M	93.6	Very high	94.3	Very high	10 Å²	10	31 Å²	31	5%	0.049	19%	0.185	C	C	.	.	S	Bend	trans	-79.1	154.9	-178.8	-60.2	173.3	64.3	0	0	111.6	A544 I574 A576 Q583 R660	A544-M579 HydrophobicContact CB-CE 3.54Å; A544-M579 HydrophobicContact CB-CG 3.72Å; A544-M579 HydrophobicContact CB-SD 3.83Å; I574-M579 HydrophobicContact CB-SD 4.17Å; I574-M579 HydrophobicContact CD1-CE 4.26Å; I574-M579 HydrophobicContact CD1-SD 4.09Å; A576-M579 WeakPolarHBondContact O-CB 3.44Å; A576-M579 PolarHBondContact O-N 3.12Å; M579-Q583 HydrophobicContact CB-CB 4.44Å; M579-Q583 HydrophobicContact CE-CB 3.98Å; M579-Q583 WeakPolarHBondContact CE-O 2.96Å; M579-R660 HydrophobicContact CB-CB 4.14Å; M579-R660 HydrophobicContact CB-CG 4.44Å; M579-R660 HydrophobicContact CE-CB 3.84Å; M579-R660 WeakPolarHBondContact O-CD 3.42Å; M579-R660 PolarHBondContact O-NE 2.96Å; M579-R660 PolarHBondContact O-NH1 2.94Å; M579-R660 HydrophobicContact SD-CB 4.27Å
580	L	94.4	Very high	94.2	Very high	115 Å²	115	38 Å²	38	60%	0.602	21%	0.21	S	C	*	.	P	Polyproline II helix	trans	-85.6	149.8	166.5	-62.4	174.5	0	0	0	110.4	G582 Q583	L580-G582 PolarHBondContact O-N 2.82Å; L580-Q583 HydrophobicContact CB-CG 4Å; L580-Q583 WeakPolarHBondContact O-CB 3.33Å; L580-Q583 PolarHBondContact O-N 3.23Å
581	P	95.3	Very high	93.9	Very high	78 Å²	78	38.1 Å²	38.1	51%	0.506	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.8	130.1	172.4	-27.1	35.9	0	0	0	111.9	Q583 G661	P581-Q583 VanDerWaalsContact C-N 3.34Å; P581-G661 WeakPolarHBondContact CB-O 3.35Å
582	G	93.7	Very high	93.5	Very high	55 Å²	55	38.1 Å²	38.1	57%	0.567	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.7	-8.1	-177.5	0	0	0	0	0	115.5	L580 T659 R660	L580-G582 PolarHBondContact O-N 2.82Å; G582-T659 WeakPolarHBondContact O-CG2 3.38Å; G582-R660 PolarHBondContact N-O 3.24Å
583	Q	94.5	Very high	93.1	Very high	53 Å²	53	40.6 Å²	40.6	25%	0.248	23%	0.232	C	C	.	.			trans	-68	146.8	168.8	-75.9	-176.6	-25.7	0	0	110.8	A543 M579 L580 P581 T659 R660	A543-Q583 HydrophobicContact CB-CG 4.35Å; M579-Q583 HydrophobicContact CB-CB 4.44Å; M579-Q583 HydrophobicContact CE-CB 3.98Å; M579-Q583 WeakPolarHBondContact CE-O 2.96Å; L580-Q583 HydrophobicContact CB-CG 4Å; L580-Q583 WeakPolarHBondContact O-CB 3.33Å; L580-Q583 PolarHBondContact O-N 3.23Å; P581-Q583 VanDerWaalsContact C-N 3.34Å; Q583-T659 CarbonylContact O-C 3.15Å; Q583-T659 WeakPolarHBondContact O-CA 3.27Å; Q583-T659 WeakPolarHBondContact O-CG2 3.31Å; Q583-R660 PolarHBondContact O-N 2.83Å
584	S	94.6	Very high	92.6	Very high	24 Å²	24	40.5 Å²	40.5	17%	0.168	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	161.4	175.4	56.7	0	0	0	0	112.2	D542 A658	D542-S584 WeakPolarHBondContact CB-O 3.38Å; S584-A658 CarbonylContact C-O 3.32Å; S584-A658 WeakPolarHBondContact CA-O 3.41Å; S584-A658 WeakPolarHBondContact CB-O 3.43Å
585	A	95.6	Very high	92	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	144.5	164.3	0	0	0	0	0	109	D542 A544 W546 I574 E657 A658	D542-A585 WeakPolarHBondContact OD2-CA 3.33Å; A544-A585 HydrophobicContact CB-CB 4.16Å; A544-A585 WeakPolarHBondContact O-CA 3.48Å; A544-A585 VanDerWaalsContact O-CB 3.23Å; A544-A585 WeakPolarHBondContact O-CB 3.19Å; W546-A585 HydrophobicContact CG-CB 4.44Å; W546-A585 PolarHBondContact NE1-O 3.12Å; W546-A585 VanDerWaalsContact NE1-O 3.1Å; I574-A585 HydrophobicContact CG2-CB 3.68Å; A585-E657 WeakPolarHBondContact O-CA 3.32Å; A585-A658 PolarHBondContact N-O 2.96Å; A585-A658 PolarHBondContact O-N 2.78Å
586	R	95.8	Very high	91.4	Very high	12 Å²	12	50.4 Å²	50.4	5%	0.045	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	129.4	-175	-69.4	167.3	58.7	125.5	4.8	110.9	D538 D542 E625 V655 F656 E657	D538-R586 HydrophobicContact CB-CB 3.59Å; D538-R586 PolarHBondContact N-O 2.74Å; D538-R586 IonicContact OD2-CZ 3.16Å; D538-R586 IonicContact OD2-NE 3.61Å; D538-R586 PolarHBondContact OD2-NE 3.47Å; D538-R586 IonicContact OD2-NH2 2.68Å; D542-R586 PolarHBondContact OD2-N 2.88Å; R586-E625 IonicContact CZ-OE1 3.21Å; R586-E625 IonicContact NH1-OE1 3.87Å; R586-E625 PolarHBondContact NH1-OE1 2.68Å; R586-E625 IonicContact NH1-OE2 3.41Å; R586-E625 IonicContact NH2-OE1 2.75Å; R586-E625 PolarHBondContact NH2-OE1 2.83Å; R586-V655 HydrophobicContact CB-CG1 4.05Å; R586-V655 HydrophobicContact CG-CG1 4.24Å; R586-F656 WeakPolarHBondContact CA-O 3.3Å; R586-E657 HydrophobicContact CG-CB 4.08Å; R586-E657 HydrophobicContact CG-CG 3.96Å
587	L	95.8	Very high	91	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	118.7	174.3	-170.3	74.7	0	0	0	108.9	F528 Y535 W546 M572 V655 F656 I670	F528-L587 HydrophobicContact CE1-CD2 4.48Å; F528-L587 HydrophobicContact CZ-CD2 4.34Å; Y535-L587 HydrophobicContact CD1-CD2 4.04Å; Y535-L587 HydrophobicContact CD1-CG 4.01Å; Y535-L587 HydrophobicContact CG-CD2 4.37Å; Y535-L587 HydrophobicContact CG-CG 4.45Å; W546-L587 HydrophobicContact CD2-CB 4.41Å; W546-L587 HydrophobicContact CG-CB 4.08Å; M572-L587 HydrophobicContact CE-CD1 4.03Å; M572-L587 HydrophobicContact CE-CD2 4.39Å; M572-L587 HydrophobicContact CG-CD2 4.29Å; L587-V655 WeakPolarHBondContact O-CA 3.24Å; L587-F656 HydrophobicContact CB-CB 4.37Å; L587-F656 PolarHBondContact N-O 2.74Å; L587-F656 PolarHBondContact O-N 2.65Å; L587-I670 HydrophobicContact CD2-CD1 3.98Å
588	L	93.8	Very high	90.9	Very high	17 Å²	17	50.6 Å²	50.6	9%	0.089	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	138.5	-178.1	-54.7	85.3	0	0	0	110.7	Y535 S536 D538 I654 V655	Y535-L588 CarbonylContact C-O 3.56Å; Y535-L588 WeakPolarHBondContact CA-O 3.3Å; Y535-L588 WeakPolarHBondContact CB-O 3.47Å; Y535-L588 VanDerWaalsContact CD1-O 3.3Å; Y535-L588 WeakPolarHBondContact CD1-O 3.24Å; S536-L588 PolarHBondContact N-O 2.84Å; S536-L588 WeakPolarHBondContact O-CD1 3.46Å; S536-L588 PolarHBondContact O-N 2.86Å; D538-L588 HydrophobicContact CB-CD1 3.5Å; D538-L588 VanDerWaalsContact CB-CD1 3.5Å; L588-I654 CarbonylContact C-O 3.59Å; L588-I654 WeakPolarHBondContact CA-O 3.15Å; L588-V655 HydrophobicContact CD2-CG2 4.42Å; L588-V655 HydrophobicContact CG-CG2 4.17Å
589	S	91.8	Very high	90.8	Very high	6 Å²	6	45.9 Å²	45.9	4%	0.042	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-69.5	170.9	168.1	74.4	0	0	0	0	111.6	Y535 Q653 I654	Y535-S589 VanDerWaalsContact CD1-CA 3.48Å; Y535-S589 VanDerWaalsContact CE1-CA 3.48Å; S589-Q653 PolarHBondContact O-NE2 3.14Å; S589-I654 PolarHBondContact N-O 3.1Å; S589-I654 PolarHBondContact OG-N 3.3Å
590	R	86.6	Confident	90.8	Very high	150 Å²	150	45.6 Å²	45.6	57%	0.566	25%	0.246	S	C	*	.	P	Polyproline II helix	trans	-59.3	156.6	159	-68.2	-173.3	176.2	157.6	13.1	110.4	G534 V592	G534-R590 VanDerWaalsContact CA-NE 3.32Å; G534-R590 WeakPolarHBondContact O-CG 3.45Å; R590-V592 PolarHBondContact O-N 2.94Å
591	P	84.9	Confident	90.8	Very high	93 Å²	93	40.1 Å²	40.1	60%	0.604	22%	0.217	S	C	*	.	P	Polyproline II helix	trans	-52.3	125.2	168.8	-26.1	35.3	0	0	0	110.8
592	V	88.3	Confident	90.8	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.006	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	-99.2	129.4	178.2	-177.4	0	0	0	0	107.8	F124 R590 H651 H652 L675	F124-V592 HydrophobicContact CZ-CG2 4.37Å; R590-V592 PolarHBondContact O-N 2.94Å; V592-H651 WeakPolarHBondContact O-CA 3.03Å; V592-H652 WeakPolarHBondContact CB-O 3.44Å; V592-H652 PolarHBondContact N-O 3.12Å; V592-H652 PolarHBondContact O-N 2.89Å; V592-H652 VanDerWaalsContact O-N 3.14Å; V592-L675 HydrophobicContact CB-CD2 4.48Å; V592-L675 HydrophobicContact CG1-CD2 3.76Å; V592-L675 HydrophobicContact CG2-CD2 3.85Å
593	R	87.5	Confident	90.9	Very high	52 Å²	52	36 Å²	36	20%	0.196	17%	0.174	C	C	.	.	P	Polyproline II helix	trans	-67.2	137.9	177.1	-170.3	174.7	65.9	101.3	-16.4	110.1	S119 R122 S123	S119-R593 PolarHBondContact O-NH2 2.82Å; R122-R593 PolarHBondContact O-NE 2.76Å; R122-R593 PolarHBondContact O-NH2 2.8Å; S123-R593 WeakPolarHBondContact O-CB 3.23Å; S123-R593 PolarHBondContact O-N 2.87Å
594	G	86	Confident	90.9	Very high	12 Å²	12	34 Å²	34	12%	0.124	17%	0.165	C	C	.	.	P	Polyproline II helix	trans	-67.1	138.1	172.9	0	0	0	0	0	111.8	S648 S650	G594-S648 CarbonylContact C-O 3.33Å; G594-S648 VanDerWaalsContact CA-O 3.27Å; G594-S648 WeakPolarHBondContact CA-O 3.15Å; G594-S650 VanDerWaalsContact CA-O 3.32Å; G594-S650 WeakPolarHBondContact CA-O 3.49Å
595	T	85.5	Confident	91	Very high	8 Å²	8	33.5 Å²	33.5	5%	0.049	16%	0.159	C	C	.	.			trans	-130.9	157.9	176.6	69.2	0	0	0	0	111.2	G121 R122 Q599 S648	G121-T595 WeakPolarHBondContact O-CB 3.34Å; G121-T595 WeakPolarHBondContact O-CG2 3.12Å; R122-T595 VanDerWaalsContact C-CG2 3.46Å; T595-Q599 PolarHBondContact OG1-NE2 3.03Å; T595-S648 PolarHBondContact N-O 3.09Å; T595-S648 VanDerWaalsContact O-O 3.13Å
596	R	81.3	Confident	90.9	Very high	215 Å²	215	33.7 Å²	33.7	81%	0.811	16%	0.16	S	C	*	.	S	Bend	trans	-88.4	109	172.2	-67	-179.4	179.4	174	1.6	107.9
597	G	86.4	Confident	90.9	Very high	27 Å²	27	33.1 Å²	33.1	28%	0.278	16%	0.158	S	C	.	.	S	Bend	trans	127.9	175.3	177.6	0	0	0	0	0	113.4
598	P	90.4	Very high	90.7	Very high	36 Å²	36	35.5 Å²	35.5	23%	0.234	17%	0.167	C	C	.	.			trans	-64.1	146.7	176	28.4	-34.3	0	0	0	112.1	E645 Q647 G678 P679	P598-E645 HydrophobicContact CB-CG 3.98Å; P598-Q647 HydrophobicContact CB-CG 4.47Å; P598-G678 CarbonylContact C-O 3.55Å; P598-G678 CarbonylContact O-C 3.57Å; P598-G678 VanDerWaalsContact O-C 3.32Å; P598-G678 WeakPolarHBondContact O-CA 3.21Å; P598-G678 PolarHBondContact O-N 2.92Å; P598-P679 HydrophobicContact CB-CB 4.37Å; P598-P679 HydrophobicContact CG-CB 4.08Å; P598-P679 HydrophobicContact CG-CG 4.47Å
599	Q	91.2	Very high	90.6	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	146.5	169.9	-62.2	-178.5	-5.5	0	0	107.8	S123 T595 E645 Y646 G678	S123-Q599 VanDerWaalsContact OG-CD 3.24Å; S123-Q599 PolarHBondContact OG-NE2 2.83Å; T595-Q599 PolarHBondContact OG1-NE2 3.03Å; Q599-E645 WeakPolarHBondContact O-CA 3Å; Q599-Y646 HydrophobicContact CB-CD1 4.16Å; Q599-Y646 HydrophobicContact CB-CE1 3.79Å; Q599-Y646 HydrophobicContact CB-CE2 4.41Å; Q599-Y646 PolarHBondContact N-O 3.03Å; Q599-Y646 PolarHBondContact O-N 3.01Å; Q599-Y646 VanDerWaalsContact OE1-CE2 3.23Å; Q599-Y646 PolarHBondContact OE1-OH 2.89Å; Q599-G678 CarbonylContact C-O 3.59Å; Q599-G678 VanDerWaalsContact C-O 3.31Å; Q599-G678 WeakPolarHBondContact CA-O 3.05Å; Q599-G678 PolarHBondContact N-O 3.49Å
600	C	92.8	Very high	90.5	Very high	3 Å²	3	38.5 Å²	38.5	2%	0.02	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	111.1	179.9	-172.4	0	0	0	0	111.1	D676 G678 C680	C600-D676 PolarHBondContact N-O 3.28Å; C600-D676 PolarHBondContact O-N 3.45Å; C600-G678 PolarHBondContact N-O 2.63Å; C600-C680 WeakPolarHBondContact CA-SG 3.22Å; C600-C680 HydrophobicContact CB-CB 3.91Å; C600-C680 WeakPolarHBondContact CB-SG 3.24Å; C600-C680 WeakPolarHBondContact SG-CA 3.36Å; C600-C680 WeakPolarHBondContact SG-CB 3.44Å; C600-C680 CovalentContact SG-SG 2.03Å; C600-C680 PolarHBondContact SG-SG 3.02Å
601	L	94.9	Very high	90.7	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	122	168.9	176.3	69.7	0	0	0	109.5	F603 V617 V644 Y646 I654 F656 I673 M674 L675	L601-F603 HydrophobicContact CD2-CD1 4.33Å; L601-F603 HydrophobicContact CD2-CE1 4.36Å; L601-F603 HydrophobicContact CG-CD1 4.12Å; L601-V617 HydrophobicContact CD2-CG1 3.58Å; L601-V644 HydrophobicContact CB-CB 4.25Å; L601-V644 PolarHBondContact N-O 2.92Å; L601-V644 PolarHBondContact O-N 2.91Å; L601-Y646 HydrophobicContact CB-CD1 4.41Å; L601-Y646 HydrophobicContact CB-CE1 4.05Å; L601-I654 HydrophobicContact CD2-CG2 3.8Å; L601-F656 HydrophobicContact CD1-CZ 4.41Å; L601-F656 HydrophobicContact CD2-CZ 4.29Å; L601-I673 HydrophobicContact CD1-CG2 3.79Å; L601-M674 CarbonylContact C-O 3.45Å; L601-M674 WeakPolarHBondContact CA-O 3.37Å; L601-L675 HydrophobicContact CB-CD1 3.96Å; L601-L675 HydrophobicContact CD1-CB 4.37Å; L601-L675 HydrophobicContact CD1-CD1 4.29Å
602	R	94.4	Very high	91.2	Very high	48 Å²	48	28.6 Å²	28.6	18%	0.181	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	143.3	172.1	-63.2	178	-66.8	125.2	1.9	108.9	A642 Q643 I673 M674 D676	R602-A642 VanDerWaalsContact CA-O 3.31Å; R602-A642 WeakPolarHBondContact CA-O 3.13Å; R602-Q643 HydrophobicContact CG-CB 4.46Å; R602-Q643 HydrophobicContact CG-CG 4.2Å; R602-I673 CarbonylContact O-C 3.44Å; R602-M674 HydrophobicContact CB-CB 4.36Å; R602-M674 HydrophobicContact CB-CE 4.01Å; R602-M674 PolarHBondContact N-O 3.23Å; R602-M674 VanDerWaalsContact NH1-CE 3.32Å; R602-M674 PolarHBondContact NH1-SD 2.92Å; R602-M674 PolarHBondContact NH2-SD 2.81Å; R602-M674 VanDerWaalsContact NH2-SD 3.37Å; R602-M674 PolarHBondContact O-N 2.8Å; R602-D676 IonicContact CZ-OD2 2.77Å; R602-D676 IonicContact NE-OD2 3.58Å; R602-D676 IonicContact NH2-OD2 3.63Å; R602-D676 PolarHBondContact NH2-OD2 2.9Å
603	F	96.1	Very high	91.6	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.8	160.4	175.3	61.5	-80.1	0	0	0	109.3	L601 Y605 L615 V617 W629 A642 V644 F656 I670 D672 I673	L601-F603 HydrophobicContact CD2-CD1 4.33Å; L601-F603 HydrophobicContact CD2-CE1 4.36Å; L601-F603 HydrophobicContact CG-CD1 4.12Å; F603-Y605 HydrophobicContact CE2-CD1 4.23Å; F603-L615 HydrophobicContact CE2-CD2 4.24Å; F603-V617 HydrophobicContact CE1-CG2 3.77Å; F603-V617 HydrophobicContact CE2-CG2 4.35Å; F603-V617 HydrophobicContact CZ-CG2 3.48Å; F603-V617 VanDerWaalsContact CZ-CG2 3.48Å; F603-W629 HydrophobicContact CE2-CH2 4.42Å; F603-W629 HydrophobicContact CE2-CZ3 4.29Å; F603-W629 HydrophobicContact CZ-CD2 4.22Å; F603-W629 AromaticContact CZ-CE3 3.91Å; F603-W629 HydrophobicContact CZ-CE3 3.91Å; F603-W629 HydrophobicContact CZ-CH2 4.23Å; F603-W629 AromaticContact CZ-CZ3 3.93Å; F603-W629 HydrophobicContact CZ-CZ3 3.93Å; F603-A642 HydrophobicContact CD1-CB 3.92Å; F603-A642 HydrophobicContact CD2-CB 4.19Å; F603-A642 HydrophobicContact CE1-CB 3.44Å; F603-A642 VanDerWaalsContact CE1-CB 3.44Å; F603-A642 HydrophobicContact CE2-CB 3.74Å; F603-A642 HydrophobicContact CG-CB 4.27Å; F603-A642 HydrophobicContact CZ-CB 3.34Å; F603-A642 PolarHBondContact N-O 3.31Å; F603-A642 VanDerWaalsContact N-O 3.16Å; F603-A642 PolarHBondContact O-N 3.31Å; F603-V644 HydrophobicContact CE1-CG2 4.13Å; F603-F656 HydrophobicContact CB-CE1 4.45Å; F603-F656 AromaticContact CD1-CE1 3.86Å; F603-F656 HydrophobicContact CD1-CE1 3.86Å; F603-F656 HydrophobicContact CD1-CZ 4.25Å; F603-F656 AromaticContact CD2-CE1 3.79Å; F603-F656 HydrophobicContact CD2-CE1 3.79Å; F603-F656 AromaticContact CE1-CE1 3.98Å; F603-F656 HydrophobicContact CE1-CE1 3.98Å; F603-F656 HydrophobicContact CE2-CD1 4.42Å; F603-F656 AromaticContact CE2-CE1 3.91Å; F603-F656 HydrophobicContact CE2-CE1 3.91Å; F603-F656 AromaticContact CG-CE1 3.77Å; F603-F656 HydrophobicContact CG-CE1 3.77Å; F603-F656 HydrophobicContact CG-CZ 4.25Å; F603-F656 HydrophobicContact CZ-CE1 4Å; F603-I670 HydrophobicContact CD2-CG2 4.38Å; F603-D672 WeakPolarHBondContact CA-O 3.4Å; F603-I673 HydrophobicContact CB-CB 4.38Å; F603-I673 HydrophobicContact CB-CG1 4.01Å; F603-I673 HydrophobicContact CB-CG2 4.44Å
604	F	95.2	Very high	92	Very high	10 Å²	10	29.4 Å²	29.4	4%	0.044	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	143.8	171.9	-72.1	-98.7	0	0	0	110	T397 H564 W639 L640 R641 I670 D671 D672 M674	T397-F604 WeakPolarHBondContact O-CE1 3.14Å; T397-F604 VanDerWaalsContact O-CZ 3.23Å; T397-F604 WeakPolarHBondContact O-CZ 3.07Å; H564-F604 HydrophobicContact CB-CB 4.24Å; H564-F604 HydrophobicContact CB-CG 4.45Å; H564-F604 AromaticContact CD2-CD1 3.47Å; H564-F604 VanDerWaalsContact CD2-CD1 3.47Å; H564-F604 WeakPolarHBondContact CD2-CD1 3.4Å; H564-F604 AromaticContact CD2-CE1 3.79Å; H564-F604 AromaticContact CD2-CG 3.89Å; H564-F604 AromaticContact CE1-CD1 3.54Å; H564-F604 AromaticContact CE1-CD2 3.73Å; H564-F604 AromaticContact CE1-CE1 3.24Å; H564-F604 WeakPolarHBondContact CE1-CE1 3.41Å; H564-F604 AromaticContact CE1-CE2 3.44Å; H564-F604 VanDerWaalsContact CE1-CE2 3.44Å; H564-F604 WeakPolarHBondContact CE1-CE2 3.28Å; H564-F604 AromaticContact CE1-CG 3.75Å; H564-F604 AromaticContact CE1-CZ 3.17Å; H564-F604 WeakPolarHBondContact CE1-CZ 3.1Å; H564-F604 AromaticContact CG-CD1 3.79Å; H564-F604 AromaticContact CG-CG 3.7Å; H564-F604 AromaticContact ND1-CD1 3.82Å; H564-F604 AromaticContact ND1-CD2 3.59Å; H564-F604 AromaticContact ND1-CE1 3.96Å; H564-F604 AromaticContact ND1-CE2 3.74Å; H564-F604 AromaticContact ND1-CG 3.61Å; H564-F604 AromaticContact ND1-CZ 3.9Å; H564-F604 AromaticContact NE2-CD1 3.27Å; H564-F604 VanDerWaalsContact NE2-CD1 3.27Å; H564-F604 WeakPolarHBondContact NE2-CD1 2.82Å; H564-F604 AromaticContact NE2-CE1 3.05Å; H564-F604 WeakPolarHBondContact NE2-CE1 3.34Å; H564-F604 AromaticContact NE2-CG 3.89Å; H564-F604 AromaticContact NE2-CZ 3.52Å; F604-W639 HydrophobicContact CB-CE3 4.07Å; F604-W639 HydrophobicContact CD1-CB 4.31Å; F604-L640 CarbonylContact C-O 3.59Å; F604-L640 WeakPolarHBondContact CA-O 3.42Å; F604-R641 HydrophobicContact CD1-CB 4.06Å; F604-R641 HydrophobicContact CE1-CB 3.67Å; F604-R641 HydrophobicContact CE1-CG 4.08Å; F604-R641 HydrophobicContact CE2-CG 4.14Å; F604-R641 HydrophobicContact CZ-CB 3.99Å; F604-R641 HydrophobicContact CZ-CG 3.89Å; F604-I670 CarbonylContact O-C 3.58Å; F604-I670 WeakPolarHBondContact O-CA 3.25Å; F604-D671 HydrophobicContact CB-CB 4.49Å; F604-D671 PolarHBondContact N-O 3.16Å; F604-D671 PolarHBondContact O-N 2.78Å; F604-D672 HydrophobicContact CD2-CB 3.65Å; F604-D672 HydrophobicContact CE2-CB 4.24Å; F604-M674 HydrophobicContact CE2-CE 4.41Å
605	Y	96.3	Very high	92.6	Very high	13 Å²	13	28.8 Å²	28.8	5%	0.051	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	150.8	177.4	71	-85.3	0	0	0	111.6	F603 M607 L615 W629 R631 Q635 L640 A642 A669	F603-Y605 HydrophobicContact CE2-CD1 4.23Å; Y605-M607 HydrophobicContact CD2-CG 4.04Å; Y605-M607 HydrophobicContact CD2-SD 4.04Å; Y605-M607 HydrophobicContact CE2-SD 4.25Å; Y605-L615 HydrophobicContact CG-CD2 4.3Å; Y605-W629 AromaticContact CD1-CH2 3.8Å; Y605-W629 HydrophobicContact CD1-CH2 3.8Å; Y605-W629 HydrophobicContact CD1-CZ2 4.06Å; Y605-W629 HydrophobicContact CD2-CH2 4.23Å; Y605-W629 AromaticContact CE1-CH2 3.7Å; Y605-W629 HydrophobicContact CE1-CH2 3.7Å; Y605-W629 AromaticContact CE1-CZ2 3.58Å; Y605-W629 HydrophobicContact CE1-CZ2 3.58Å; Y605-W629 HydrophobicContact CE2-CH2 4.14Å; Y605-W629 HydrophobicContact CG-CH2 4.07Å; Y605-W629 AromaticContact CZ-CH2 3.87Å; Y605-W629 AromaticContact CZ-CZ2 3.86Å; Y605-R631 HydrophobicContact CE2-CG 4.42Å; Y605-Q635 HydrophobicContact CE2-CB 4.35Å; Y605-Q635 HydrophobicContact CE2-CG 4.11Å; Y605-L640 HydrophobicContact CD1-CB 4.21Å; Y605-L640 WeakPolarHBondContact CD1-O 3.38Å; Y605-L640 HydrophobicContact CE1-CB 3.69Å; Y605-L640 WeakPolarHBondContact CE1-O 3.23Å; Y605-L640 HydrophobicContact CE2-CB 4.04Å; Y605-L640 HydrophobicContact CE2-CD1 3.92Å; Y605-L640 PolarHBondContact N-O 2.95Å; Y605-L640 PolarHBondContact O-N 2.86Å; Y605-A642 HydrophobicContact CD1-CB 3.84Å; Y605-A642 HydrophobicContact CE1-CB 3.89Å; Y605-A669 CarbonylContact C-O 3.6Å; Y605-A669 VanDerWaalsContact CA-O 3.23Å; Y605-A669 WeakPolarHBondContact CA-O 3.33Å
606	H	94.6	Very high	93.2	Very high	4 Å²	4	31.4 Å²	31.4	2%	0.019	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	126.5	176.1	-168.3	-81.8	0	0	0	109.8	G559 P560 Y608 V637 W639 I668 A669	G559-H606 PolarHBondContact O-CE1 2.86Å; P560-H606 HydrophobicContact CB-CB 4.22Å; P560-H606 HydrophobicContact CG-CB 4.42Å; H606-Y608 VanDerWaalsContact CE1-CB 3.45Å; H606-Y608 WeakPolarHBondContact CE1-CB 3.32Å; H606-V637 VanDerWaalsContact NE2-C 3.32Å; H606-V637 PolarHBondContact NE2-O 3.46Å; H606-W639 HydrophobicContact CB-CD2 4.09Å; H606-W639 HydrophobicContact CB-CE3 3.76Å; H606-W639 HydrophobicContact CB-CH2 4.23Å; H606-W639 HydrophobicContact CB-CZ3 3.83Å; H606-I668 WeakPolarHBondContact O-CA 3.38Å; H606-A669 HydrophobicContact CB-CB 4.06Å; H606-A669 PolarHBondContact N-O 2.9Å; H606-A669 PolarHBondContact O-N 3.3Å
607	M	95	Very high	94	Very high	1 Å²	1	21.1 Å²	21.1	1%	0.005	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	97.2	-179.1	-69.9	-179.5	75.2	0	0	108.5	Y605 T612 L615 R631 Q635 S636 I668	Y605-M607 HydrophobicContact CD2-CG 4.04Å; Y605-M607 HydrophobicContact CD2-SD 4.04Å; Y605-M607 HydrophobicContact CE2-SD 4.25Å; M607-T612 HydrophobicContact CB-CG2 4.16Å; M607-T612 HydrophobicContact CE-CG2 3.9Å; M607-L615 HydrophobicContact CE-CB 4.34Å; M607-L615 HydrophobicContact SD-CB 3.85Å; M607-R631 HydrophobicContact SD-CB 4.06Å; M607-Q635 HydrophobicContact CB-CB 4Å; M607-Q635 HydrophobicContact CB-CG 3.61Å; M607-Q635 HydrophobicContact CG-CG 4.31Å; M607-Q635 PolarHBondContact O-N 3.17Å; M607-Q635 HydrophobicContact SD-CG 3.95Å; M607-S636 PolarHBondContact O-N 3.17Å; M607-I668 HydrophobicContact CE-CD1 3.92Å; M607-I668 HydrophobicContact CE-CG1 4.32Å; M607-I668 HydrophobicContact CG-CB 4.46Å; M607-I668 HydrophobicContact CG-CG1 4.14Å; M607-I668 HydrophobicContact CG-CG2 3.92Å
608	Y	92.3	Very high	94.5	Very high	50 Å²	50	19.9 Å²	19.9	20%	0.196	11%	0.109	C	C	.	.			trans	-135.3	141	-176.9	176	-120	0	0	0	111.2	I390 Y557 T558 H606 T612 E634 S636 V637	I390-Y608 HydrophobicContact CG2-CE2 4.5Å; Y557-Y608 WeakPolarHBondContact O-CE1 3.31Å; T558-Y608 WeakPolarHBondContact CA-O 3.41Å; T558-Y608 WeakPolarHBondContact CB-O 3.45Å; T558-Y608 PolarHBondContact OG1-O 3.16Å; T558-Y608 VanDerWaalsContact OG1-O 3.12Å; H606-Y608 VanDerWaalsContact CE1-CB 3.45Å; H606-Y608 WeakPolarHBondContact CE1-CB 3.32Å; Y608-T612 PolarHBondContact O-OG1 2.92Å; Y608-E634 HydrophobicContact CD2-CG 4.27Å; Y608-E634 WeakPolarHBondContact CD2-OE1 3.33Å; Y608-E634 WeakPolarHBondContact CE2-OE1 3.19Å; Y608-S636 WeakPolarHBondContact CB-O 3.39Å; Y608-V637 HydrophobicContact CD1-CG1 4.05Å; Y608-V637 HydrophobicContact CD2-CG1 3.42Å; Y608-V637 VanDerWaalsContact CD2-CG1 3.42Å; Y608-V637 HydrophobicContact CE1-CG1 3.95Å; Y608-V637 HydrophobicContact CE2-CG1 3.33Å; Y608-V637 HydrophobicContact CG-CG1 3.81Å
609	G	90.6	Very high	94.8	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.01	10%	0.099	C	C	.	.	S	Bend	trans	125.1	138.1	178.1	0	0	0	0	0	113.7	G611 T612 E634 R665	G609-G611 PolarHBondContact O-N 2.85Å; G609-G611 VanDerWaalsContact O-N 3.11Å; G609-T612 PolarHBondContact O-N 2.97Å; G609-T612 VanDerWaalsContact O-N 3.08Å; G609-T612 PolarHBondContact O-OG1 2.8Å; G609-E634 PolarHBondContact N-OE1 3.11Å; G609-E634 VanDerWaalsContact N-OE1 3.15Å; G609-R665 CarbonylContact C-O 3.6Å; G609-R665 WeakPolarHBondContact CA-O 3Å
610	S	90.4	Very high	94.9	Very high	84 Å²	84	19 Å²	19	59%	0.587	10%	0.103	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.7	120.7	176.8	174.2	0	0	0	0	110.6	S663	S610-S663 WeakPolarHBondContact O-CB 2.95Å; S610-S663 PolarHBondContact O-OG 2.91Å
611	G	90.4	Very high	94.8	Very high	26 Å²	26	21.9 Å²	21.9	27%	0.268	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	86	20.1	-178.9	0	0	0	0	0	114.4	G609 G661 S662 S663	G609-G611 PolarHBondContact O-N 2.85Å; G609-G611 VanDerWaalsContact O-N 3.11Å; G611-G661 CarbonylContact O-C 3.57Å; G611-G661 WeakPolarHBondContact O-CA 3.34Å; G611-S662 PolarHBondContact O-N 3.06Å; G611-S663 PolarHBondContact O-N 2.96Å
612	T	94.8	Very high	94.3	Very high	10 Å²	10	29.6 Å²	29.6	6%	0.061	16%	0.156	C	C	.	.			trans	-53.8	139.6	168.3	-54.1	0	0	0	0	111	M607 Y608 G609 G633 S666 I668	M607-T612 HydrophobicContact CB-CG2 4.16Å; M607-T612 HydrophobicContact CE-CG2 3.9Å; Y608-T612 PolarHBondContact O-OG1 2.92Å; G609-T612 PolarHBondContact O-N 2.97Å; G609-T612 VanDerWaalsContact O-N 3.08Å; G609-T612 PolarHBondContact O-OG1 2.8Å; T612-G633 WeakPolarHBondContact O-CA 3.5Å; T612-S666 WeakPolarHBondContact CA-OG 3.29Å; T612-I668 HydrophobicContact CG2-CD1 4.27Å; T612-I668 HydrophobicContact CG2-CG1 3.96Å
613	G	96.3	Very high	93.8	Very high	12 Å²	12	28.9 Å²	28.9	12%	0.124	16%	0.164	C	C	.	.			trans	-80.6	-127.8	179.4	0	0	0	0	0	113.4	S632 G633 T659 G661 S666	G613-S632 CarbonylContact O-C 3.41Å; G613-S632 WeakPolarHBondContact O-CA 3.39Å; G613-G633 PolarHBondContact O-N 3.11Å; G613-T659 VanDerWaalsContact CA-O 3.3Å; G613-T659 WeakPolarHBondContact CA-O 3.46Å; G613-G661 VanDerWaalsContact CA-CA 3.45Å; G613-S666 PolarHBondContact N-OG 2.77Å
614	K	97.6	Very high	93.6	Very high	57 Å²	57	35.9 Å²	35.9	25%	0.248	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	141.3	-167.5	-177.6	-177.8	-176.2	-172.3	0	111.5	R616 R631 S632 A658 T659 I668	K614-R616 HydrophobicContact CD-CG 4.07Å; K614-R616 VanDerWaalsContact CE-CG 3.45Å; K614-R616 HydrophobicContact CG-CG 4.25Å; K614-R631 CarbonylContact C-O 3.54Å; K614-R631 WeakPolarHBondContact CA-O 3.48Å; K614-R631 WeakPolarHBondContact CG-O 3.47Å; K614-S632 WeakPolarHBondContact CG-OG 3.28Å; K614-A658 CarbonylContact O-C 3.59Å; K614-A658 WeakPolarHBondContact O-CA 3.28Å; K614-T659 PolarHBondContact N-O 3.11Å; K614-T659 PolarHBondContact O-N 2.97Å; K614-I668 WeakPolarHBondContact O-CD1 3.46Å
615	L	98.5	Very high	93.5	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	131.4	167.3	-177.5	59.4	0	0	0	109.2	W546 F603 Y605 M607 W629 Q630 R631 E657 A658 I668 I670	W546-L615 HydrophobicContact CH2-CD1 3.98Å; W546-L615 HydrophobicContact CZ2-CD1 4.13Å; F603-L615 HydrophobicContact CE2-CD2 4.24Å; Y605-L615 HydrophobicContact CG-CD2 4.3Å; M607-L615 HydrophobicContact CE-CB 4.34Å; M607-L615 HydrophobicContact SD-CB 3.85Å; L615-W629 HydrophobicContact CB-CZ3 4.22Å; L615-W629 HydrophobicContact CD2-CH2 4.35Å; L615-W629 HydrophobicContact CD2-CZ3 3.91Å; L615-W629 HydrophobicContact CG-CZ3 3.94Å; L615-Q630 CarbonylContact O-C 3.41Å; L615-Q630 VanDerWaalsContact O-CA 3.25Å; L615-Q630 WeakPolarHBondContact O-CA 3.34Å; L615-R631 PolarHBondContact N-O 2.91Å; L615-R631 PolarHBondContact O-N 3.27Å; L615-E657 CarbonylContact C-O 3.59Å; L615-E657 WeakPolarHBondContact CA-O 3.34Å; L615-A658 HydrophobicContact CD1-CB 4.11Å; L615-I668 HydrophobicContact CB-CG2 4.04Å; L615-I668 HydrophobicContact CD1-CG2 4.08Å; L615-I668 HydrophobicContact CD2-CG2 4.04Å; L615-I668 HydrophobicContact CG-CG2 4.28Å; L615-I670 HydrophobicContact CD1-CG2 4.4Å; L615-I670 HydrophobicContact CD2-CG2 3.86Å
616	R	98.2	Very high	93.5	Very high	62 Å²	62	41.3 Å²	41.3	23%	0.234	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	147.2	174.3	-69.7	170.2	62.7	-169.8	2.5	110.5	K614 L627 W629 Q630 E657	K614-R616 HydrophobicContact CD-CG 4.07Å; K614-R616 VanDerWaalsContact CE-CG 3.45Å; K614-R616 HydrophobicContact CG-CG 4.25Å; R616-L627 HydrophobicContact CB-CD1 4.11Å; R616-L627 HydrophobicContact CG-CD1 4.04Å; R616-W629 WeakPolarHBondContact CA-O 3.34Å; R616-Q630 HydrophobicContact CG-CB 4.2Å; R616-E657 HydrophobicContact CB-CB 4.31Å; R616-E657 WeakPolarHBondContact CD-OE2 3.48Å; R616-E657 IonicContact CZ-OE2 3.41Å; R616-E657 PolarHBondContact N-O 2.67Å; R616-E657 IonicContact NE-OE2 2.68Å; R616-E657 IonicContact NH1-OE2 3.6Å; R616-E657 PolarHBondContact NH1-OE2 3.36Å; R616-E657 PolarHBondContact O-N 3.16Å
617	V	98.3	Very high	93.6	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	130	166.4	-175.8	0	0	0	0	108.7	L601 F603 L628 W629 I654 V655 F656	L601-V617 HydrophobicContact CD2-CG1 3.58Å; F603-V617 HydrophobicContact CE1-CG2 3.77Å; F603-V617 HydrophobicContact CE2-CG2 4.35Å; F603-V617 HydrophobicContact CZ-CG2 3.48Å; F603-V617 VanDerWaalsContact CZ-CG2 3.48Å; V617-L628 HydrophobicContact CG1-CD1 4.39Å; V617-L628 PolarHBondContact O-N 3.37Å; V617-W629 HydrophobicContact CB-CB 4.18Å; V617-W629 HydrophobicContact CG2-CB 4.43Å; V617-W629 HydrophobicContact CG2-CE3 3.99Å; V617-W629 PolarHBondContact N-O 2.71Å; V617-W629 PolarHBondContact O-N 3.33Å; V617-I654 HydrophobicContact CG1-CG2 3.78Å; V617-V655 WeakPolarHBondContact CA-O 3.07Å; V617-F656 HydrophobicContact CG1-CE1 4.49Å; V617-F656 HydrophobicContact CG2-CD1 3.76Å; V617-F656 HydrophobicContact CG2-CE1 3.74Å
618	L	97.1	Very high	93.7	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.005	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	146.8	-174.8	-60.2	148.2	0	0	0	109.6	E625 V626 L627 I654 V655 E657	L618-E625 HydrophobicContact CD2-CB 4.41Å; L618-V626 CarbonylContact C-O 3.59Å; L618-V626 VanDerWaalsContact CA-O 3.26Å; L618-V626 WeakPolarHBondContact CA-O 3.21Å; L618-L627 HydrophobicContact CD2-CB 4.18Å; L618-L627 HydrophobicContact CD2-CD1 4.05Å; L618-I654 CarbonylContact O-C 3.6Å; L618-I654 WeakPolarHBondContact O-CA 3.29Å; L618-V655 HydrophobicContact CB-CB 4.2Å; L618-V655 PolarHBondContact N-O 3.03Å; L618-V655 PolarHBondContact O-N 3.34Å; L618-E657 HydrophobicContact CD1-CB 4.19Å
619	A	95.7	Very high	94	Very high	3 Å²	3	45.6 Å²	45.6	3%	0.025	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	117.3	159.9	0	0	0	0	0	108.2	E625 V626 L628 Q653 I654	A619-E625 CarbonylContact O-C 3.58Å; A619-E625 WeakPolarHBondContact O-CA 3.5Å; A619-V626 PolarHBondContact N-O 3.03Å; A619-V626 PolarHBondContact O-N 3.46Å; A619-L628 HydrophobicContact CB-CD1 4Å; A619-L628 HydrophobicContact CB-CD2 4.08Å; A619-L628 HydrophobicContact CB-CG 4.17Å; A619-Q653 CarbonylContact C-O 3.49Å; A619-Q653 WeakPolarHBondContact CA-O 3.29Å; A619-I654 HydrophobicContact CB-CD1 4.45Å
620	D	93.6	Very high	94.3	Very high	14 Å²	14	49.6 Å²	49.6	8%	0.075	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	119.2	175.3	-173.1	6.2	0	0	0	109.9	G623 E624 E625 H652 Q653 V655	D620-G623 WeakPolarHBondContact OD1-CA 3.4Å; D620-G623 PolarHBondContact OD1-N 2.93Å; D620-E624 PolarHBondContact OD1-N 2.89Å; D620-E625 HydrophobicContact CB-CG 4.2Å; D620-H652 CarbonylContact O-C 3.59Å; D620-H652 WeakPolarHBondContact O-CA 3.34Å; D620-H652 WeakPolarHBondContact O-CB 3.34Å; D620-Q653 PolarHBondContact N-O 2.93Å; D620-Q653 PolarHBondContact O-N 3Å; D620-V655 HydrophobicContact CB-CG2 3.92Å
621	K	90.9	Very high	94.7	Very high	64 Å²	64	50.7 Å²	50.7	28%	0.278	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	85.1	177.4	-65.5	172.2	-179.6	-177.6	0	108.3	G623 E624 S648 S650 H652	K621-G623 PolarHBondContact O-N 3.25Å; K621-G623 VanDerWaalsContact O-N 3.14Å; K621-E624 HydrophobicContact CB-CB 4.39Å; K621-E624 PolarHBondContact N-O 2.93Å; K621-E624 PolarHBondContact O-N 3.37Å; K621-S648 VanDerWaalsContact CE-OG 3.22Å; K621-S648 WeakPolarHBondContact CE-OG 3.41Å; K621-S650 WeakPolarHBondContact CD-OG 3.44Å; K621-H652 HydrophobicContact CG-CB 3.9Å
622	D	84	Confident	94.9	Very high	161 Å²	161	52.8 Å²	52.8	86%	0.861	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.1	37.9	179.4	-56.7	-43	0	0	0	113.7
623	G	84.6	Confident	94.9	Very high	34 Å²	34	53.5 Å²	53.5	35%	0.351	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	105.8	-13.8	-179.6	0	0	0	0	0	114.7	D620 K621	D620-G623 WeakPolarHBondContact OD1-CA 3.4Å; D620-G623 PolarHBondContact OD1-N 2.93Å; K621-G623 PolarHBondContact O-N 3.25Å; K621-G623 VanDerWaalsContact O-N 3.14Å
624	E	91.6	Very high	94.7	Very high	146 Å²	146	56.2 Å²	56.2	68%	0.682	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.1	105.3	171.6	-66.2	-160.5	153.2	0	0	111.3	D620 K621	D620-E624 PolarHBondContact OD1-N 2.89Å; K621-E624 HydrophobicContact CB-CB 4.39Å; K621-E624 PolarHBondContact N-O 2.93Å; K621-E624 PolarHBondContact O-N 3.37Å
625	E	93.7	Very high	94.4	Very high	66 Å²	66	55.9 Å²	55.9	31%	0.308	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	127.3	-176.9	-67	177.9	-170.5	0	0	113	R541 R586 L618 A619 D620	R541-E625 IonicContact NH1-OE1 3.83Å; R586-E625 IonicContact CZ-OE1 3.21Å; R586-E625 IonicContact NH1-OE1 3.87Å; R586-E625 PolarHBondContact NH1-OE1 2.68Å; R586-E625 IonicContact NH1-OE2 3.41Å; R586-E625 IonicContact NH2-OE1 2.75Å; R586-E625 PolarHBondContact NH2-OE1 2.83Å; L618-E625 HydrophobicContact CD2-CB 4.41Å; A619-E625 CarbonylContact O-C 3.58Å; A619-E625 WeakPolarHBondContact O-CA 3.5Å; D620-E625 HydrophobicContact CB-CG 4.2Å
626	V	95.4	Very high	93.8	Very high	72 Å²	72	55.9 Å²	55.9	44%	0.436	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	125.1	173	-178.6	0	0	0	0	109.6	L618 A619 L628	L618-V626 CarbonylContact C-O 3.59Å; L618-V626 VanDerWaalsContact CA-O 3.26Å; L618-V626 WeakPolarHBondContact CA-O 3.21Å; A619-V626 PolarHBondContact N-O 3.03Å; A619-V626 PolarHBondContact O-N 3.46Å; V626-L628 HydrophobicContact CG1-CD2 4.39Å; V626-L628 PolarHBondContact O-N 3.22Å
627	L	97.1	Very high	93.1	Very high	77 Å²	77	54.5 Å²	54.5	40%	0.403	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	120.6	175	-179.4	70.5	0	0	0	110.4	R616 L618 W629 Q630	R616-L627 HydrophobicContact CB-CD1 4.11Å; R616-L627 HydrophobicContact CG-CD1 4.04Å; L618-L627 HydrophobicContact CD2-CB 4.18Å; L618-L627 HydrophobicContact CD2-CD1 4.05Å; L627-W629 WeakPolarHBondContact CD1-O 3.33Å; L627-Q630 HydrophobicContact CD1-CB 4.45Å; L627-Q630 HydrophobicContact CD2-CG 4.5Å
628	L	96.9	Very high	92.4	Very high	43 Å²	43	55 Å²	55	23%	0.225	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	-41.6	176.2	-53.2	-176	0	0	0	112	V617 A619 V626 V644 Y646 I654	V617-L628 HydrophobicContact CG1-CD1 4.39Å; V617-L628 PolarHBondContact O-N 3.37Å; A619-L628 HydrophobicContact CB-CD1 4Å; A619-L628 HydrophobicContact CB-CD2 4.08Å; A619-L628 HydrophobicContact CB-CG 4.17Å; V626-L628 HydrophobicContact CG1-CD2 4.39Å; V626-L628 PolarHBondContact O-N 3.22Å; L628-V644 HydrophobicContact CB-CG1 3.74Å; L628-Y646 HydrophobicContact CD1-CD1 4.14Å; L628-Y646 HydrophobicContact CD1-CD2 4.07Å; L628-Y646 HydrophobicContact CD1-CG 3.86Å; L628-Y646 HydrophobicContact CD2-CD2 4.46Å; L628-Y646 HydrophobicContact CD2-CG 4.35Å; L628-I654 HydrophobicContact CD1-CD1 3.87Å
629	W	98.1	Very high	92.1	Very high	25 Å²	25	56.3 Å²	56.3	10%	0.095	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	152.3	-175.5	-178.4	98.9	0	0	0	112.4	F603 Y605 L615 R616 V617 L627 R631 A642 V644	F603-W629 HydrophobicContact CE2-CH2 4.42Å; F603-W629 HydrophobicContact CE2-CZ3 4.29Å; F603-W629 HydrophobicContact CZ-CD2 4.22Å; F603-W629 AromaticContact CZ-CE3 3.91Å; F603-W629 HydrophobicContact CZ-CE3 3.91Å; F603-W629 HydrophobicContact CZ-CH2 4.23Å; F603-W629 AromaticContact CZ-CZ3 3.93Å; F603-W629 HydrophobicContact CZ-CZ3 3.93Å; Y605-W629 AromaticContact CD1-CH2 3.8Å; Y605-W629 HydrophobicContact CD1-CH2 3.8Å; Y605-W629 HydrophobicContact CD1-CZ2 4.06Å; Y605-W629 HydrophobicContact CD2-CH2 4.23Å; Y605-W629 AromaticContact CE1-CH2 3.7Å; Y605-W629 HydrophobicContact CE1-CH2 3.7Å; Y605-W629 AromaticContact CE1-CZ2 3.58Å; Y605-W629 HydrophobicContact CE1-CZ2 3.58Å; Y605-W629 HydrophobicContact CE2-CH2 4.14Å; Y605-W629 HydrophobicContact CG-CH2 4.07Å; Y605-W629 AromaticContact CZ-CH2 3.87Å; Y605-W629 AromaticContact CZ-CZ2 3.86Å; L615-W629 HydrophobicContact CB-CZ3 4.22Å; L615-W629 HydrophobicContact CD2-CH2 4.35Å; L615-W629 HydrophobicContact CD2-CZ3 3.91Å; L615-W629 HydrophobicContact CG-CZ3 3.94Å; R616-W629 WeakPolarHBondContact CA-O 3.34Å; V617-W629 HydrophobicContact CB-CB 4.18Å; V617-W629 HydrophobicContact CG2-CB 4.43Å; V617-W629 HydrophobicContact CG2-CE3 3.99Å; V617-W629 PolarHBondContact N-O 2.71Å; V617-W629 PolarHBondContact O-N 3.33Å; L627-W629 WeakPolarHBondContact CD1-O 3.33Å; W629-R631 HydrophobicContact CH2-CB 3.74Å; W629-R631 HydrophobicContact CH2-CG 3.26Å; W629-R631 HydrophobicContact CZ2-CB 4.18Å; W629-R631 HydrophobicContact CZ2-CG 3.19Å; W629-R631 HydrophobicContact CZ3-CB 4.18Å; W629-R631 HydrophobicContact CZ3-CG 4.03Å; W629-A642 HydrophobicContact CH2-CB 4.33Å; W629-A642 HydrophobicContact CZ2-CB 3.73Å; W629-V644 HydrophobicContact CB-CG1 4.24Å; W629-V644 HydrophobicContact CB-CG2 3.55Å; W629-V644 HydrophobicContact CG-CG2 3.75Å
630	Q	97.8	Very high	91.8	Very high	84 Å²	84	57 Å²	57	39%	0.393	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	150	173.6	64.5	179.7	-1.1	0	0	113.9	L615 R616 L627	L615-Q630 CarbonylContact O-C 3.41Å; L615-Q630 VanDerWaalsContact O-CA 3.25Å; L615-Q630 WeakPolarHBondContact O-CA 3.34Å; R616-Q630 HydrophobicContact CG-CB 4.2Å; L627-Q630 HydrophobicContact CD1-CB 4.45Å; L627-Q630 HydrophobicContact CD2-CG 4.5Å
631	R	97.3	Very high	91.7	Very high	107 Å²	107	59.6 Å²	59.6	40%	0.404	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	150.1	164.2	-70	-67.5	-178.6	-88.1	2.1	110.4	Y605 M607 K614 L615 W629	Y605-R631 HydrophobicContact CE2-CG 4.42Å; M607-R631 HydrophobicContact SD-CB 4.06Å; K614-R631 CarbonylContact C-O 3.54Å; K614-R631 WeakPolarHBondContact CA-O 3.48Å; K614-R631 WeakPolarHBondContact CG-O 3.47Å; L615-R631 PolarHBondContact N-O 2.91Å; L615-R631 PolarHBondContact O-N 3.27Å; W629-R631 HydrophobicContact CH2-CB 3.74Å; W629-R631 HydrophobicContact CH2-CG 3.26Å; W629-R631 HydrophobicContact CZ2-CB 4.18Å; W629-R631 HydrophobicContact CZ2-CG 3.19Å; W629-R631 HydrophobicContact CZ3-CB 4.18Å; W629-R631 HydrophobicContact CZ3-CG 4.03Å
632	S	96	Very high	91.8	Very high	70 Å²	70	56.7 Å²	56.7	49%	0.49	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	146.2	-176.4	-55.4	0	0	0	0	110.8	G613 K614 Q635	G613-S632 CarbonylContact O-C 3.41Å; G613-S632 WeakPolarHBondContact O-CA 3.39Å; K614-S632 WeakPolarHBondContact CG-OG 3.28Å; S632-Q635 PolarHBondContact O-NE2 2.79Å
633	G	94.7	Very high	92.3	Very high	26 Å²	26	52.1 Å²	52.1	27%	0.268	27%	0.271	S	S	.	.	S	Bend	trans	79.9	-178.4	179.3	0	0	0	0	0	113	T612 G613 Q635	T612-G633 WeakPolarHBondContact O-CA 3.5Å; G613-G633 PolarHBondContact O-N 3.11Å; G633-Q635 PolarHBondContact O-N 2.99Å; G633-Q635 PolarHBondContact O-NE2 3.45Å; G633-Q635 VanDerWaalsContact O-NE2 3.07Å
634	E	92.4	Very high	92.7	Very high	69 Å²	69	50.8 Å²	50.8	32%	0.322	26%	0.256	S	S	.	.			trans	-65.4	128.5	175.8	-177.6	165.5	-148.6	0	0	110.8	I390 Y608 G609	I390-E634 HydrophobicContact CG2-CG 4.2Å; Y608-E634 HydrophobicContact CD2-CG 4.27Å; Y608-E634 WeakPolarHBondContact CD2-OE1 3.33Å; Y608-E634 WeakPolarHBondContact CE2-OE1 3.19Å; G609-E634 PolarHBondContact N-OE1 3.11Å; G609-E634 VanDerWaalsContact N-OE1 3.15Å
635	Q	90.2	Very high	92.9	Very high	49 Å²	49	49 Å²	49	23%	0.229	25%	0.248	C	C	.	.			trans	-111.9	-60.8	-175.3	-55.2	-63.4	-68	0	0	111.6	Y605 M607 S632 G633 L640	Y605-Q635 HydrophobicContact CE2-CB 4.35Å; Y605-Q635 HydrophobicContact CE2-CG 4.11Å; M607-Q635 HydrophobicContact CB-CB 4Å; M607-Q635 HydrophobicContact CB-CG 3.61Å; M607-Q635 HydrophobicContact CG-CG 4.31Å; M607-Q635 PolarHBondContact O-N 3.17Å; M607-Q635 HydrophobicContact SD-CG 3.95Å; S632-Q635 PolarHBondContact O-NE2 2.79Å; G633-Q635 PolarHBondContact O-N 2.99Å; G633-Q635 PolarHBondContact O-NE2 3.45Å; G633-Q635 VanDerWaalsContact O-NE2 3.07Å; Q635-L640 HydrophobicContact CB-CD1 3.85Å
636	S	86.6	Confident	92.9	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.007	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.7	153	-174.4	-174.6	0	0	0	0	111.9	N389 M607 Y608 A638	N389-S636 PolarHBondContact O-OG 2.99Å; M607-S636 PolarHBondContact O-N 3.17Å; Y608-S636 WeakPolarHBondContact CB-O 3.39Å; S636-A638 VanDerWaalsContact C-N 3.28Å; S636-A638 PolarHBondContact OG-N 2.9Å
637	V	82.9	Confident	92.7	Very high	32 Å²	32	49.2 Å²	49.2	19%	0.194	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	-16.9	167	-72.5	0	0	0	0	113.1	I390 H606 Y608	I390-V637 WeakPolarHBondContact O-CG1 3.24Å; I390-V637 WeakPolarHBondContact O-CG2 3.17Å; H606-V637 VanDerWaalsContact NE2-C 3.32Å; H606-V637 PolarHBondContact NE2-O 3.46Å; Y608-V637 HydrophobicContact CD1-CG1 4.05Å; Y608-V637 HydrophobicContact CD2-CG1 3.42Å; Y608-V637 VanDerWaalsContact CD2-CG1 3.42Å; Y608-V637 HydrophobicContact CE1-CG1 3.95Å; Y608-V637 HydrophobicContact CE2-CG1 3.33Å; Y608-V637 HydrophobicContact CG-CG1 3.81Å
638	A	84.8	Confident	92.3	Very high	12 Å²	12	45.6 Å²	45.6	10%	0.099	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	157.7	173.9	0	0	0	0	0	111	S636	S636-A638 VanDerWaalsContact C-N 3.28Å; S636-A638 PolarHBondContact OG-N 2.9Å
639	W	90.3	Very high	91.9	Very high	28 Å²	28	50.9 Å²	50.9	11%	0.106	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	138.2	162.7	-70.8	106.2	0	0	0	109.6	G399 P560 G562 D563 H564 Y571 F604 H606 A669 D671	G399-W639 VanDerWaalsContact CA-O 3.31Å; G399-W639 WeakPolarHBondContact CA-O 3.4Å; P560-W639 HydrophobicContact CB-CH2 4.37Å; P560-W639 HydrophobicContact CB-CZ2 3.53Å; P560-W639 HydrophobicContact CG-CH2 4.03Å; P560-W639 HydrophobicContact CG-CZ2 3.52Å; G562-W639 WeakPolarHBondContact O-CZ2 3.34Å; G562-W639 PolarHBondContact O-NE1 2.87Å; D563-W639 PolarHBondContact O-NE1 3.42Å; H564-W639 HydrophobicContact CB-CB 4.4Å; H564-W639 HydrophobicContact CB-CD2 3.93Å; H564-W639 HydrophobicContact CB-CE3 4.43Å; H564-W639 HydrophobicContact CB-CG 3.89Å; H564-W639 AromaticContact CD2-CG 3.87Å; Y571-W639 HydrophobicContact CD1-CZ2 4.4Å; Y571-W639 HydrophobicContact CD2-CH2 4.12Å; Y571-W639 HydrophobicContact CD2-CZ2 4.31Å; Y571-W639 HydrophobicContact CG-CH2 4.07Å; Y571-W639 HydrophobicContact CG-CZ2 4.01Å; F604-W639 HydrophobicContact CB-CE3 4.07Å; F604-W639 HydrophobicContact CD1-CB 4.31Å; H606-W639 HydrophobicContact CB-CD2 4.09Å; H606-W639 HydrophobicContact CB-CE3 3.76Å; H606-W639 HydrophobicContact CB-CH2 4.23Å; H606-W639 HydrophobicContact CB-CZ3 3.83Å; W639-A669 HydrophobicContact CH2-CB 3.54Å; W639-A669 HydrophobicContact CZ2-CB 4.42Å; W639-A669 HydrophobicContact CZ3-CB 3.98Å; W639-D671 HydrophobicContact CE3-CB 4.4Å; W639-D671 HydrophobicContact CH2-CB 3.85Å; W639-D671 HydrophobicContact CZ2-CB 4.43Å; W639-D671 HydrophobicContact CZ3-CB 3.84Å
640	L	89.4	Confident	91.4	Very high	18 Å²	18	52 Å²	52	9%	0.094	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	137.8	177.9	-64.7	178.6	0	0	0	109.3	P388 F604 Y605 Q635	P388-L640 HydrophobicContact CB-CD2 4.33Å; F604-L640 CarbonylContact C-O 3.59Å; F604-L640 WeakPolarHBondContact CA-O 3.42Å; Y605-L640 HydrophobicContact CD1-CB 4.21Å; Y605-L640 WeakPolarHBondContact CD1-O 3.38Å; Y605-L640 HydrophobicContact CE1-CB 3.69Å; Y605-L640 WeakPolarHBondContact CE1-O 3.23Å; Y605-L640 HydrophobicContact CE2-CB 4.04Å; Y605-L640 HydrophobicContact CE2-CD1 3.92Å; Y605-L640 PolarHBondContact N-O 2.95Å; Y605-L640 PolarHBondContact O-N 2.86Å; Q635-L640 HydrophobicContact CB-CD1 3.85Å
641	R	91.1	Very high	91	Very high	68 Å²	68	52.5 Å²	52.5	26%	0.257	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	130.9	175.3	-165.4	170.3	70.4	-171.1	4	111.2	T397 T398 F604	T397-R641 PolarHBondContact O-NH1 2.81Å; T398-R641 VanDerWaalsContact CG2-CZ 3.47Å; T398-R641 PolarHBondContact O-N 2.86Å; F604-R641 HydrophobicContact CD1-CB 4.06Å; F604-R641 HydrophobicContact CE1-CB 3.67Å; F604-R641 HydrophobicContact CE1-CG 4.08Å; F604-R641 HydrophobicContact CE2-CG 4.14Å; F604-R641 HydrophobicContact CZ-CB 3.99Å; F604-R641 HydrophobicContact CZ-CG 3.89Å
642	A	93.1	Very high	90.7	Very high	3 Å²	3	47.6 Å²	47.6	3%	0.025	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	143.6	165.4	0	0	0	0	0	109.9	R602 F603 Y605 W629	R602-A642 VanDerWaalsContact CA-O 3.31Å; R602-A642 WeakPolarHBondContact CA-O 3.13Å; F603-A642 HydrophobicContact CD1-CB 3.92Å; F603-A642 HydrophobicContact CD2-CB 4.19Å; F603-A642 HydrophobicContact CE1-CB 3.44Å; F603-A642 VanDerWaalsContact CE1-CB 3.44Å; F603-A642 HydrophobicContact CE2-CB 3.74Å; F603-A642 HydrophobicContact CG-CB 4.27Å; F603-A642 HydrophobicContact CZ-CB 3.34Å; F603-A642 PolarHBondContact N-O 3.31Å; F603-A642 VanDerWaalsContact N-O 3.16Å; F603-A642 PolarHBondContact O-N 3.31Å; Y605-A642 HydrophobicContact CD1-CB 3.84Å; Y605-A642 HydrophobicContact CE1-CB 3.89Å; W629-A642 HydrophobicContact CH2-CB 4.33Å; W629-A642 HydrophobicContact CZ2-CB 3.73Å
643	Q	93.8	Very high	90.6	Very high	64 Å²	64	46.7 Å²	46.7	30%	0.299	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	126.3	176	-178.3	168.2	-60.2	0	0	108	R602 C680 P681	R602-Q643 HydrophobicContact CG-CB 4.46Å; R602-Q643 HydrophobicContact CG-CG 4.2Å; Q643-C680 VanDerWaalsContact CD-CB 3.48Å; Q643-C680 HydrophobicContact CG-CB 3.53Å; Q643-C680 WeakPolarHBondContact CG-SG 3.06Å; Q643-P681 PolarHBondContact NE2-O 2.71Å
644	V	94.4	Very high	90.6	Very high	7 Å²	7	45.5 Å²	45.5	4%	0.042	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	106.7	-172	-173.2	0	0	0	0	108.4	L601 F603 L628 W629	L601-V644 HydrophobicContact CB-CB 4.25Å; L601-V644 PolarHBondContact N-O 2.92Å; L601-V644 PolarHBondContact O-N 2.91Å; F603-V644 HydrophobicContact CE1-CG2 4.13Å; L628-V644 HydrophobicContact CB-CG1 3.74Å; W629-V644 HydrophobicContact CB-CG1 4.24Å; W629-V644 HydrophobicContact CB-CG2 3.55Å; W629-V644 HydrophobicContact CG-CG2 3.75Å
645	E	94.6	Very high	90.8	Very high	109 Å²	109	42.2 Å²	42.2	51%	0.509	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	128.8	168.6	-173.9	173.8	111.8	0	0	109.1	P598 Q599 P679 C680	P598-E645 HydrophobicContact CB-CG 3.98Å; Q599-E645 WeakPolarHBondContact O-CA 3Å; E645-P679 VanDerWaalsContact OE2-CA 3.27Å; E645-P679 WeakPolarHBondContact OE2-CA 3.39Å; E645-P679 VanDerWaalsContact OE2-CB 3.3Å; E645-P679 WeakPolarHBondContact OE2-CB 3.46Å; E645-C680 HydrophobicContact CB-CB 4.49Å; E645-C680 PolarHBondContact OE2-N 2.95Å; E645-C680 VanDerWaalsContact OE2-N 3.08Å
646	Y	93.3	Very high	91.2	Very high	14 Å²	14	39.9 Å²	39.9	6%	0.055	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	169.4	177.6	77	-79.3	0	0	0	111.8	Q599 L601 L628 H652 I654 L675	Q599-Y646 HydrophobicContact CB-CD1 4.16Å; Q599-Y646 HydrophobicContact CB-CE1 3.79Å; Q599-Y646 HydrophobicContact CB-CE2 4.41Å; Q599-Y646 PolarHBondContact N-O 3.03Å; Q599-Y646 PolarHBondContact O-N 3.01Å; Q599-Y646 VanDerWaalsContact OE1-CE2 3.23Å; Q599-Y646 PolarHBondContact OE1-OH 2.89Å; L601-Y646 HydrophobicContact CB-CD1 4.41Å; L601-Y646 HydrophobicContact CB-CE1 4.05Å; L628-Y646 HydrophobicContact CD1-CD1 4.14Å; L628-Y646 HydrophobicContact CD1-CD2 4.07Å; L628-Y646 HydrophobicContact CD1-CG 3.86Å; L628-Y646 HydrophobicContact CD2-CD2 4.46Å; L628-Y646 HydrophobicContact CD2-CG 4.35Å; Y646-H652 AromaticContact CE2-CD2 3.97Å; Y646-H652 AromaticContact CE2-NE2 3.29Å; Y646-H652 VanDerWaalsContact CE2-NE2 3.29Å; Y646-H652 WeakPolarHBondContact CE2-NE2 3.38Å; Y646-H652 AromaticContact CZ-NE2 3.6Å; Y646-H652 PolarHBondContact OH-NE2 2.79Å; Y646-I654 HydrophobicContact CE1-CD1 4.28Å; Y646-I654 HydrophobicContact CE2-CD1 4.12Å; Y646-L675 HydrophobicContact CE1-CD1 3.6Å; Y646-L675 WeakPolarHBondContact OH-CD1 3.14Å
647	Q	92	Very high	91.7	Very high	127 Å²	127	40.8 Å²	40.8	59%	0.593	20%	0.197	S	C	*	.			trans	-134.7	132	179.6	-67.1	-173.7	4.4	0	0	110.5	P598	P598-Q647 HydrophobicContact CB-CG 4.47Å
648	S	89.6	Confident	92.4	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.014	19%	0.188	C	C	.	.			trans	-146.2	118.5	171.6	-170.8	0	0	0	0	111.2	G594 T595 K621 S650 H652	G594-S648 CarbonylContact C-O 3.33Å; G594-S648 VanDerWaalsContact CA-O 3.27Å; G594-S648 WeakPolarHBondContact CA-O 3.15Å; T595-S648 PolarHBondContact N-O 3.09Å; T595-S648 VanDerWaalsContact O-O 3.13Å; K621-S648 VanDerWaalsContact CE-OG 3.22Å; K621-S648 WeakPolarHBondContact CE-OG 3.41Å; S648-S650 PolarHBondContact OG-O 3.06Å; S648-H652 WeakPolarHBondContact CB-ND1 3.38Å; S648-H652 PolarHBondContact OG-ND1 2.77Å
649	Q	87.5	Confident	93	Very high	154 Å²	154	40.1 Å²	40.1	72%	0.72	19%	0.192	S	C	*	.	S	Bend	trans	-86.1	-16.4	175.8	-61.6	-176	20.7	0	0	112.8
650	S	87.5	Confident	93.3	Very high	49 Å²	49	39.8 Å²	39.8	34%	0.343	19%	0.191	S	C	.	.	S	Bend	trans	-96.8	159.1	175.1	61.6	0	0	0	0	110.6	G594 K621 S648 H652	G594-S650 VanDerWaalsContact CA-O 3.32Å; G594-S650 WeakPolarHBondContact CA-O 3.49Å; K621-S650 WeakPolarHBondContact CD-OG 3.44Å; S648-S650 PolarHBondContact OG-O 3.06Å; S650-H652 PolarHBondContact O-ND1 2.82Å
651	H	89	Confident	93.6	Very high	94 Å²	94	39.6 Å²	39.6	44%	0.435	19%	0.193	S	C	.	.			trans	-53.6	141.1	163	-80.1	-108	0	0	0	109.7	V592	V592-H651 WeakPolarHBondContact O-CA 3.03Å
652	H	91.9	Very high	93.8	Very high	4 Å²	4	41.2 Å²	41.2	2%	0.019	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-157.8	163.7	-178.7	61.8	-71.7	0	0	0	110.3	V592 D620 K621 Y646 S648 S650	V592-H652 WeakPolarHBondContact CB-O 3.44Å; V592-H652 PolarHBondContact N-O 3.12Å; V592-H652 PolarHBondContact O-N 2.89Å; V592-H652 VanDerWaalsContact O-N 3.14Å; D620-H652 CarbonylContact O-C 3.59Å; D620-H652 WeakPolarHBondContact O-CA 3.34Å; D620-H652 WeakPolarHBondContact O-CB 3.34Å; K621-H652 HydrophobicContact CG-CB 3.9Å; Y646-H652 AromaticContact CE2-CD2 3.97Å; Y646-H652 AromaticContact CE2-NE2 3.29Å; Y646-H652 VanDerWaalsContact CE2-NE2 3.29Å; Y646-H652 WeakPolarHBondContact CE2-NE2 3.38Å; Y646-H652 AromaticContact CZ-NE2 3.6Å; Y646-H652 PolarHBondContact OH-NE2 2.79Å; S648-H652 WeakPolarHBondContact CB-ND1 3.38Å; S648-H652 PolarHBondContact OG-ND1 2.77Å; S650-H652 PolarHBondContact O-ND1 2.82Å
653	Q	93.2	Very high	93.9	Very high	51 Å²	51	42.4 Å²	42.4	24%	0.238	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	145.4	168.1	-67.8	179.7	-83	0	0	109.7	S589 A619 D620	S589-Q653 PolarHBondContact O-NE2 3.14Å; A619-Q653 CarbonylContact C-O 3.49Å; A619-Q653 WeakPolarHBondContact CA-O 3.29Å; D620-Q653 PolarHBondContact N-O 2.93Å; D620-Q653 PolarHBondContact O-N 3Å
654	I	95.8	Very high	93.8	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.005	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	126.9	168.1	-60.6	-57.5	0	0	0	108.2	L588 S589 L601 V617 L618 A619 L628 Y646 F656	L588-I654 CarbonylContact C-O 3.59Å; L588-I654 WeakPolarHBondContact CA-O 3.15Å; S589-I654 PolarHBondContact N-O 3.1Å; S589-I654 PolarHBondContact OG-N 3.3Å; L601-I654 HydrophobicContact CD2-CG2 3.8Å; V617-I654 HydrophobicContact CG1-CG2 3.78Å; L618-I654 CarbonylContact O-C 3.6Å; L618-I654 WeakPolarHBondContact O-CA 3.29Å; A619-I654 HydrophobicContact CB-CD1 4.45Å; L628-I654 HydrophobicContact CD1-CD1 3.87Å; Y646-I654 HydrophobicContact CE1-CD1 4.28Å; Y646-I654 HydrophobicContact CE2-CD1 4.12Å; I654-F656 HydrophobicContact CG2-CD2 4.28Å; I654-F656 HydrophobicContact CG2-CE2 3.73Å; I654-F656 HydrophobicContact CG2-CZ 4.14Å
655	V	96.4	Very high	93.9	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	121.1	-179.4	-173.5	0	0	0	0	109.7	R586 L587 L588 V617 L618 D620	R586-V655 HydrophobicContact CB-CG1 4.05Å; R586-V655 HydrophobicContact CG-CG1 4.24Å; L587-V655 WeakPolarHBondContact O-CA 3.24Å; L588-V655 HydrophobicContact CD2-CG2 4.42Å; L588-V655 HydrophobicContact CG-CG2 4.17Å; V617-V655 WeakPolarHBondContact CA-O 3.07Å; L618-V655 HydrophobicContact CB-CB 4.2Å; L618-V655 PolarHBondContact N-O 3.03Å; L618-V655 PolarHBondContact O-N 3.34Å; D620-V655 HydrophobicContact CB-CG2 3.92Å
656	F	97.9	Very high	93.9	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	110.2	169.6	-65.7	-91.7	0	0	0	109	Y535 W546 R586 L587 L601 F603 V617 I654 I670 I673	Y535-F656 HydrophobicContact CE1-CD2 4.22Å; Y535-F656 AromaticContact CE1-CE2 3.96Å; Y535-F656 HydrophobicContact CE1-CE2 3.96Å; W546-F656 HydrophobicContact CZ2-CB 4.19Å; W546-F656 PolarHBondContact NE1-O 2.79Å; R586-F656 WeakPolarHBondContact CA-O 3.3Å; L587-F656 HydrophobicContact CB-CB 4.37Å; L587-F656 PolarHBondContact N-O 2.74Å; L587-F656 PolarHBondContact O-N 2.65Å; L601-F656 HydrophobicContact CD1-CZ 4.41Å; L601-F656 HydrophobicContact CD2-CZ 4.29Å; F603-F656 HydrophobicContact CB-CE1 4.45Å; F603-F656 AromaticContact CD1-CE1 3.86Å; F603-F656 HydrophobicContact CD1-CE1 3.86Å; F603-F656 HydrophobicContact CD1-CZ 4.25Å; F603-F656 AromaticContact CD2-CE1 3.79Å; F603-F656 HydrophobicContact CD2-CE1 3.79Å; F603-F656 AromaticContact CE1-CE1 3.98Å; F603-F656 HydrophobicContact CE1-CE1 3.98Å; F603-F656 HydrophobicContact CE2-CD1 4.42Å; F603-F656 AromaticContact CE2-CE1 3.91Å; F603-F656 HydrophobicContact CE2-CE1 3.91Å; F603-F656 AromaticContact CG-CE1 3.77Å; F603-F656 HydrophobicContact CG-CE1 3.77Å; F603-F656 HydrophobicContact CG-CZ 4.25Å; F603-F656 HydrophobicContact CZ-CE1 4Å; V617-F656 HydrophobicContact CG1-CE1 4.49Å; V617-F656 HydrophobicContact CG2-CD1 3.76Å; V617-F656 HydrophobicContact CG2-CE1 3.74Å; I654-F656 HydrophobicContact CG2-CD2 4.28Å; I654-F656 HydrophobicContact CG2-CE2 3.73Å; I654-F656 HydrophobicContact CG2-CZ 4.14Å; F656-I670 HydrophobicContact CB-CD1 3.88Å; F656-I670 HydrophobicContact CD1-CD1 3.9Å; F656-I670 HydrophobicContact CD1-CG2 4.4Å; F656-I670 HydrophobicContact CD2-CD1 4.18Å; F656-I670 HydrophobicContact CE1-CD1 4.5Å; F656-I670 HydrophobicContact CG-CD1 3.72Å; F656-I673 HydrophobicContact CD2-CD1 4.34Å; F656-I673 HydrophobicContact CE2-CD1 3.73Å; F656-I673 HydrophobicContact CE2-CG1 4.46Å; F656-I673 HydrophobicContact CE2-CG2 4.27Å; F656-I673 HydrophobicContact CZ-CD1 3.92Å; F656-I673 HydrophobicContact CZ-CG1 4.18Å; F656-I673 HydrophobicContact CZ-CG2 3.98Å
657	E	97.5	Very high	94.1	Very high	19 Å²	19	41.4 Å²	41.4	9%	0.089	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	115	179.4	179.5	-179.8	-107	0	0	109.9	A585 R586 L615 R616 L618	A585-E657 WeakPolarHBondContact O-CA 3.32Å; R586-E657 HydrophobicContact CG-CB 4.08Å; R586-E657 HydrophobicContact CG-CG 3.96Å; L615-E657 CarbonylContact C-O 3.59Å; L615-E657 WeakPolarHBondContact CA-O 3.34Å; R616-E657 HydrophobicContact CB-CB 4.31Å; R616-E657 WeakPolarHBondContact CD-OE2 3.48Å; R616-E657 IonicContact CZ-OE2 3.41Å; R616-E657 PolarHBondContact N-O 2.67Å; R616-E657 IonicContact NE-OE2 2.68Å; R616-E657 IonicContact NH1-OE2 3.6Å; R616-E657 PolarHBondContact NH1-OE2 3.36Å; R616-E657 PolarHBondContact O-N 3.16Å; L618-E657 HydrophobicContact CD1-CB 4.19Å
658	A	97.4	Very high	94.4	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	127.4	174.5	0	0	0	0	0	110.2	W546 I574 S584 A585 K614 L615 I668	W546-A658 HydrophobicContact CH2-CB 3.68Å; W546-A658 HydrophobicContact CZ2-CB 3.35Å; I574-A658 HydrophobicContact CD1-CB 3.66Å; I574-A658 HydrophobicContact CG1-CB 3.99Å; I574-A658 HydrophobicContact CG2-CB 3.89Å; S584-A658 CarbonylContact C-O 3.32Å; S584-A658 WeakPolarHBondContact CA-O 3.41Å; S584-A658 WeakPolarHBondContact CB-O 3.43Å; A585-A658 PolarHBondContact N-O 2.96Å; A585-A658 PolarHBondContact O-N 2.78Å; K614-A658 CarbonylContact O-C 3.59Å; K614-A658 WeakPolarHBondContact O-CA 3.28Å; L615-A658 HydrophobicContact CD1-CB 4.11Å; A658-I668 HydrophobicContact CB-CB 4.14Å; A658-I668 HydrophobicContact CB-CD1 4.18Å; A658-I668 HydrophobicContact CB-CG2 4.13Å
659	T	96.9	Very high	94.8	Very high	30 Å²	30	35.3 Å²	35.3	18%	0.184	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	129.7	179.8	-47	0	0	0	0	110.1	G582 Q583 G613 K614	G582-T659 WeakPolarHBondContact O-CG2 3.38Å; Q583-T659 CarbonylContact O-C 3.15Å; Q583-T659 WeakPolarHBondContact O-CA 3.27Å; Q583-T659 WeakPolarHBondContact O-CG2 3.31Å; G613-T659 VanDerWaalsContact CA-O 3.3Å; G613-T659 WeakPolarHBondContact CA-O 3.46Å; K614-T659 PolarHBondContact N-O 3.11Å; K614-T659 PolarHBondContact O-N 2.97Å
660	R	96.1	Very high	95.3	Very high	22 Å²	22	28 Å²	28	8%	0.083	16%	0.155	C	C	.	.			trans	-66.1	134	173.2	169.9	173.5	167.9	163.5	-9.7	110.8	A576 S577 M579 G582 Q583 S663	A576-R660 HydrophobicContact CB-CG 4.35Å; A576-R660 WeakPolarHBondContact O-CD 3.25Å; A576-R660 PolarHBondContact O-NH1 2.98Å; S577-R660 PolarHBondContact O-NH1 3.48Å; S577-R660 VanDerWaalsContact O-NH1 3.12Å; M579-R660 HydrophobicContact CB-CB 4.14Å; M579-R660 HydrophobicContact CB-CG 4.44Å; M579-R660 HydrophobicContact CE-CB 3.84Å; M579-R660 WeakPolarHBondContact O-CD 3.42Å; M579-R660 PolarHBondContact O-NE 2.96Å; M579-R660 PolarHBondContact O-NH1 2.94Å; M579-R660 HydrophobicContact SD-CB 4.27Å; G582-R660 PolarHBondContact N-O 3.24Å; Q583-R660 PolarHBondContact O-N 2.83Å; R660-S663 PolarHBondContact NE-O 2.8Å
661	G	96.3	Very high	95.7	Very high	14 Å²	14	25.6 Å²	25.6	14%	0.144	14%	0.139	C	C	.	.			trans	-81.5	-156.5	174	0	0	0	0	0	113.7	P581 G611 G613 S663 S666	P581-G661 WeakPolarHBondContact CB-O 3.35Å; G611-G661 CarbonylContact O-C 3.57Å; G611-G661 WeakPolarHBondContact O-CA 3.34Å; G613-G661 VanDerWaalsContact CA-CA 3.45Å; G661-S663 VanDerWaalsContact C-N 3.29Å; G661-S663 PolarHBondContact O-N 3.21Å; G661-S666 PolarHBondContact N-OG 2.74Å
662	S	96	Very high	95.9	Very high	102 Å²	102	22.6 Å²	22.6	71%	0.713	13%	0.126	S	C	*	.	S	Bend	trans	-75.8	-17.3	-176.9	56	0	0	0	0	113.8	G611	G611-S662 PolarHBondContact O-N 3.06Å
663	S	93.9	Very high	96	Very high	28 Å²	28	22.4 Å²	22.4	20%	0.196	13%	0.125	C	C	.	.	S	Bend	trans	-110.7	157	-172.9	-178	0	0	0	0	112.5	S610 G611 R660 G661 R665 S666	S610-S663 WeakPolarHBondContact O-CB 2.95Å; S610-S663 PolarHBondContact O-OG 2.91Å; G611-S663 PolarHBondContact O-N 2.96Å; R660-S663 PolarHBondContact NE-O 2.8Å; G661-S663 VanDerWaalsContact C-N 3.29Å; G661-S663 PolarHBondContact O-N 3.21Å; S663-R665 PolarHBondContact O-N 3.09Å; S663-R665 PolarHBondContact OG-N 3.25Å; S663-R665 VanDerWaalsContact OG-N 3.09Å; S663-S666 VanDerWaalsContact O-CB 3.25Å; S663-S666 WeakPolarHBondContact O-CB 2.96Å
664	V	93	Very high	96	Very high	67 Å²	67	21.5 Å²	21.5	41%	0.406	12%	0.121	S	C	.	.	S	Bend	trans	-70.9	-16.7	166.7	-63.7	0	0	0	0	112	A576 S666	A576-V664 WeakPolarHBondContact CB-O 3.45Å; V664-S666 PolarHBondContact O-N 2.85Å; V664-S666 VanDerWaalsContact O-N 3.15Å
665	R	94.9	Very high	95.7	Very high	106 Å²	106	21.7 Å²	21.7	40%	0.4	12%	0.122	S	C	.	.			trans	-87.3	52.3	174.7	-59	-179	-176.2	-179.1	1.9	110.7	T555 T558 G609 S663	T555-R665 HydrophobicContact CG2-CG 4.47Å; T558-R665 HydrophobicContact CG2-CB 4.34Å; G609-R665 CarbonylContact C-O 3.6Å; G609-R665 WeakPolarHBondContact CA-O 3Å; S663-R665 PolarHBondContact O-N 3.09Å; S663-R665 PolarHBondContact OG-N 3.25Å; S663-R665 VanDerWaalsContact OG-N 3.09Å
666	S	95.6	Very high	95.3	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.135	C	C	.	.			trans	-126.6	31.4	-172.1	179.2	0	0	0	0	111.5	A576 T612 G613 G661 S663 V664	A576-S666 VanDerWaalsContact CB-C 3.46Å; T612-S666 WeakPolarHBondContact CA-OG 3.29Å; G613-S666 PolarHBondContact N-OG 2.77Å; G661-S666 PolarHBondContact N-OG 2.74Å; S663-S666 VanDerWaalsContact O-CB 3.25Å; S663-S666 WeakPolarHBondContact O-CB 2.96Å; V664-S666 PolarHBondContact O-N 2.85Å; V664-S666 VanDerWaalsContact O-N 3.15Å
667	D	96.8	Very high	94.7	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.151	C	C	.	.			trans	-65.4	139	174.9	-56.4	-18.1	0	0	0	108.6	T553 T558 Y573 I574 A576	T553-D667 VanDerWaalsContact CB-OD2 3.24Å; T553-D667 WeakPolarHBondContact CB-OD2 3.49Å; T553-D667 PolarHBondContact OG1-OD2 3.23Å; T558-D667 HydrophobicContact CG2-CB 4.36Å; T558-D667 WeakPolarHBondContact CG2-OD2 3.48Å; T558-D667 WeakPolarHBondContact OG1-CB 3.43Å; T558-D667 PolarHBondContact OG1-N 3.34Å; T558-D667 PolarHBondContact OG1-OD2 2.64Å; Y573-D667 HydrophobicContact CD2-CB 4.38Å; I574-D667 WeakPolarHBondContact O-CA 3.49Å; I574-D667 WeakPolarHBondContact O-CB 3.19Å; A576-D667 WeakPolarHBondContact CB-OD1 3.47Å; A576-D667 PolarHBondContact N-OD1 2.94Å
668	I	98.1	Very high	94.1	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	128.6	176.3	-60.6	175.6	0	0	0	106.1	W546 Y573 I574 H606 M607 T612 K614 L615 A658	W546-I668 HydrophobicContact CH2-CG2 4.45Å; Y573-I668 CarbonylContact C-O 3.55Å; Y573-I668 WeakPolarHBondContact CA-O 3.35Å; Y573-I668 WeakPolarHBondContact CB-O 3.37Å; I574-I668 HydrophobicContact CD1-CB 4.24Å; I574-I668 HydrophobicContact CD1-CD1 4.31Å; I574-I668 HydrophobicContact CD1-CG1 4.33Å; I574-I668 HydrophobicContact CG1-CB 3.93Å; I574-I668 HydrophobicContact CG1-CG1 4.48Å; I574-I668 PolarHBondContact N-O 2.96Å; H606-I668 WeakPolarHBondContact O-CA 3.38Å; M607-I668 HydrophobicContact CE-CD1 3.92Å; M607-I668 HydrophobicContact CE-CG1 4.32Å; M607-I668 HydrophobicContact CG-CB 4.46Å; M607-I668 HydrophobicContact CG-CG1 4.14Å; M607-I668 HydrophobicContact CG-CG2 3.92Å; T612-I668 HydrophobicContact CG2-CD1 4.27Å; T612-I668 HydrophobicContact CG2-CG1 3.96Å; K614-I668 WeakPolarHBondContact O-CD1 3.46Å; L615-I668 HydrophobicContact CB-CG2 4.04Å; L615-I668 HydrophobicContact CD1-CG2 4.08Å; L615-I668 HydrophobicContact CD2-CG2 4.04Å; L615-I668 HydrophobicContact CG-CG2 4.28Å; A658-I668 HydrophobicContact CB-CB 4.14Å; A658-I668 HydrophobicContact CB-CD1 4.18Å; A658-I668 HydrophobicContact CB-CG2 4.13Å
669	A	97.9	Very high	93.7	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	154	179.2	0	0	0	0	0	111.9	P560 Y571 M572 Y605 H606 W639	P560-A669 HydrophobicContact CG-CB 3.87Å; Y571-A669 HydrophobicContact CD2-CB 3.81Å; Y571-A669 HydrophobicContact CE2-CB 4.08Å; M572-A669 CarbonylContact O-C 3.59Å; M572-A669 WeakPolarHBondContact O-CA 3.45Å; M572-A669 WeakPolarHBondContact O-CB 3.41Å; Y605-A669 CarbonylContact C-O 3.6Å; Y605-A669 VanDerWaalsContact CA-O 3.23Å; Y605-A669 WeakPolarHBondContact CA-O 3.33Å; H606-A669 HydrophobicContact CB-CB 4.06Å; H606-A669 PolarHBondContact N-O 2.9Å; H606-A669 PolarHBondContact O-N 3.3Å; W639-A669 HydrophobicContact CH2-CB 3.54Å; W639-A669 HydrophobicContact CZ2-CB 4.42Å; W639-A669 HydrophobicContact CZ3-CB 3.98Å
670	I	98.2	Very high	93.4	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	152.7	172.9	64.2	-179.8	0	0	0	110.2	W546 M572 L587 F603 F604 L615 F656 I673	W546-I670 HydrophobicContact CE3-CD1 4.5Å; W546-I670 HydrophobicContact CE3-CG1 4.37Å; W546-I670 HydrophobicContact CH2-CD1 4.01Å; W546-I670 HydrophobicContact CH2-CG1 4.11Å; W546-I670 HydrophobicContact CH2-CG2 3.89Å; W546-I670 HydrophobicContact CZ2-CD1 4.46Å; W546-I670 HydrophobicContact CZ3-CB 4.44Å; W546-I670 HydrophobicContact CZ3-CD1 4.04Å; W546-I670 HydrophobicContact CZ3-CG1 3.76Å; W546-I670 HydrophobicContact CZ3-CG2 4.18Å; M572-I670 HydrophobicContact CB-CG1 3.91Å; M572-I670 PolarHBondContact N-O 3.02Å; M572-I670 VanDerWaalsContact N-O 3.11Å; M572-I670 PolarHBondContact O-N 3.24Å; L587-I670 HydrophobicContact CD2-CD1 3.98Å; F603-I670 HydrophobicContact CD2-CG2 4.38Å; F604-I670 CarbonylContact O-C 3.58Å; F604-I670 WeakPolarHBondContact O-CA 3.25Å; L615-I670 HydrophobicContact CD1-CG2 4.4Å; L615-I670 HydrophobicContact CD2-CG2 3.86Å; F656-I670 HydrophobicContact CB-CD1 3.88Å; F656-I670 HydrophobicContact CD1-CD1 3.9Å; F656-I670 HydrophobicContact CD1-CG2 4.4Å; F656-I670 HydrophobicContact CD2-CD1 4.18Å; F656-I670 HydrophobicContact CE1-CD1 4.5Å; F656-I670 HydrophobicContact CG-CD1 3.72Å; I670-I673 HydrophobicContact CD1-CD1 4.13Å
671	D	96.8	Very high	92.8	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	168.9	179.9	-148.3	-6.2	0	0	0	111.8	D563 H564 Y571 F604 W639 I673	D563-D671 WeakPolarHBondContact CA-OD2 3.25Å; D563-D671 WeakPolarHBondContact CB-OD2 3.47Å; H564-D671 HydrophobicContact CB-CB 3.97Å; H564-D671 PolarHBondContact N-OD2 3.18Å; Y571-D671 WeakPolarHBondContact CB-OD2 3.17Å; F604-D671 HydrophobicContact CB-CB 4.49Å; F604-D671 PolarHBondContact N-O 3.16Å; F604-D671 PolarHBondContact O-N 2.78Å; W639-D671 HydrophobicContact CE3-CB 4.4Å; W639-D671 HydrophobicContact CH2-CB 3.85Å; W639-D671 HydrophobicContact CZ2-CB 4.43Å; W639-D671 HydrophobicContact CZ3-CB 3.84Å; D671-I673 PolarHBondContact O-N 3.13Å
672	D	92.9	Very high	91.6	Very high	30 Å²	30	40.7 Å²	40.7	16%	0.16	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	47.2	54.7	171.1	-79.4	-26.9	0	0	0	114.1	C526 D527 H564 T565 F603 F604 M674	C526-D672 CarbonylContact O-C 3.57Å; C526-D672 WeakPolarHBondContact O-CA 3.45Å; D527-D672 WeakPolarHBondContact CB-OD1 3.06Å; H564-D672 IonicContact CE1-OD2 2.73Å; H564-D672 IonicContact CG-OD2 3.58Å; H564-D672 IonicContact ND1-OD2 2.7Å; H564-D672 PolarHBondContact ND1-OD2 2.64Å; T565-D672 WeakPolarHBondContact CA-OD2 3.15Å; T565-D672 PolarHBondContact N-OD2 2.89Å; T565-D672 PolarHBondContact OG1-OD1 2.7Å; F603-D672 WeakPolarHBondContact CA-O 3.4Å; F604-D672 HydrophobicContact CD2-CB 3.65Å; F604-D672 HydrophobicContact CE2-CB 4.24Å; D672-M674 PolarHBondContact O-N 2.75Å
673	I	94.7	Very high	89.7	Confident	0 Å²	0	40 Å²	40	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	125.3	-179.4	-53.1	170	0	0	0	109	H525 C526 F528 Y535 L601 R602 F603 F656 I670 D671	H525-I673 CarbonylContact C-O 3.45Å; H525-I673 WeakPolarHBondContact CA-O 3.28Å; C526-I673 PolarHBondContact N-O 2.65Å; C526-I673 PolarHBondContact O-N 2.93Å; F528-I673 HydrophobicContact CE2-CD1 4.02Å; F528-I673 HydrophobicContact CE2-CG1 4.33Å; F528-I673 HydrophobicContact CZ-CD1 3.58Å; F528-I673 HydrophobicContact CZ-CG1 4.35Å; Y535-I673 HydrophobicContact CE1-CD1 4.03Å; Y535-I673 HydrophobicContact CE2-CD1 4.3Å; Y535-I673 VanDerWaalsContact OH-CG2 3.25Å; Y535-I673 WeakPolarHBondContact OH-CG2 3.25Å; L601-I673 HydrophobicContact CD1-CG2 3.79Å; R602-I673 CarbonylContact O-C 3.44Å; F603-I673 HydrophobicContact CB-CB 4.38Å; F603-I673 HydrophobicContact CB-CG1 4.01Å; F603-I673 HydrophobicContact CB-CG2 4.44Å; F656-I673 HydrophobicContact CD2-CD1 4.34Å; F656-I673 HydrophobicContact CE2-CD1 3.73Å; F656-I673 HydrophobicContact CE2-CG1 4.46Å; F656-I673 HydrophobicContact CE2-CG2 4.27Å; F656-I673 HydrophobicContact CZ-CD1 3.92Å; F656-I673 HydrophobicContact CZ-CG1 4.18Å; F656-I673 HydrophobicContact CZ-CG2 3.98Å; I670-I673 HydrophobicContact CD1-CD1 4.13Å; D671-I673 PolarHBondContact O-N 3.13Å
674	M	92.1	Very high	86.9	Confident	32 Å²	32	46.6 Å²	46.6	16%	0.158	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	123.8	178.4	-59.3	173.7	-87.6	0	0	109.1	H525 L601 R602 F604 D672	H525-M674 WeakPolarHBondContact ND1-CG 3.16Å; L601-M674 CarbonylContact C-O 3.45Å; L601-M674 WeakPolarHBondContact CA-O 3.37Å; R602-M674 HydrophobicContact CB-CB 4.36Å; R602-M674 HydrophobicContact CB-CE 4.01Å; R602-M674 PolarHBondContact N-O 3.23Å; R602-M674 VanDerWaalsContact NH1-CE 3.32Å; R602-M674 PolarHBondContact NH1-SD 2.92Å; R602-M674 PolarHBondContact NH2-SD 2.81Å; R602-M674 VanDerWaalsContact NH2-SD 3.37Å; R602-M674 PolarHBondContact O-N 2.8Å; F604-M674 HydrophobicContact CE2-CE 4.41Å; D672-M674 PolarHBondContact O-N 2.75Å
675	L	90.8	Very high	84.3	Confident	6 Å²	6	48.6 Å²	48.6	3%	0.031	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	109.6	171.7	-177.4	65.1	0	0	0	109.9	F124 G524 V592 L601 Y646	F124-L675 HydrophobicContact CE2-CB 3.63Å; F124-L675 HydrophobicContact CE2-CD2 3.49Å; F124-L675 VanDerWaalsContact CE2-CD2 3.49Å; F124-L675 HydrophobicContact CE2-CG 3.59Å; F124-L675 VanDerWaalsContact CE2-O 3.31Å; F124-L675 WeakPolarHBondContact CE2-O 3.07Å; F124-L675 HydrophobicContact CZ-CB 3.89Å; F124-L675 HydrophobicContact CZ-CD2 3.39Å; F124-L675 HydrophobicContact CZ-CG 3.95Å; G524-L675 PolarHBondContact O-N 3.37Å; V592-L675 HydrophobicContact CB-CD2 4.48Å; V592-L675 HydrophobicContact CG1-CD2 3.76Å; V592-L675 HydrophobicContact CG2-CD2 3.85Å; L601-L675 HydrophobicContact CB-CD1 3.96Å; L601-L675 HydrophobicContact CD1-CB 4.37Å; L601-L675 HydrophobicContact CD1-CD1 4.29Å; Y646-L675 HydrophobicContact CE1-CD1 3.6Å; Y646-L675 WeakPolarHBondContact OH-CD1 3.14Å
676	D	87.3	Confident	81.1	Confident	49 Å²	49	49.2 Å²	49.2	26%	0.262	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	153.4	-177.9	-59.4	-52.3	0	0	0	111.2	H525 C600 R602	H525-D676 IonicContact CE1-OD1 3.98Å; H525-D676 IonicContact NE2-OD1 2.91Å; H525-D676 PolarHBondContact NE2-OD1 3.11Å; C600-D676 PolarHBondContact N-O 3.28Å; C600-D676 PolarHBondContact O-N 3.45Å; R602-D676 IonicContact CZ-OD2 2.77Å; R602-D676 IonicContact NE-OD2 3.58Å; R602-D676 IonicContact NH2-OD2 3.63Å; R602-D676 PolarHBondContact NH2-OD2 2.9Å
677	S	84.7	Confident	78	Confident	50 Å²	50	54.3 Å²	54.3	35%	0.35	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	144	170.3	55.5	0	0	0	0	111
678	G	86.6	Confident	74.7	Confident	21 Å²	21	58.7 Å²	58.7	22%	0.216	35%	0.349	C	S	.	.	S	Bend	trans	101.5	176.5	177.7	0	0	0	0	0	113.2	P598 Q599 C600	P598-G678 CarbonylContact C-O 3.55Å; P598-G678 CarbonylContact O-C 3.57Å; P598-G678 VanDerWaalsContact O-C 3.32Å; P598-G678 WeakPolarHBondContact O-CA 3.21Å; P598-G678 PolarHBondContact O-N 2.92Å; Q599-G678 CarbonylContact C-O 3.59Å; Q599-G678 VanDerWaalsContact C-O 3.31Å; Q599-G678 WeakPolarHBondContact CA-O 3.05Å; Q599-G678 PolarHBondContact N-O 3.49Å; C600-G678 PolarHBondContact N-O 2.63Å
679	P	89.1	Confident	71.4	Confident	86 Å²	86	65.2 Å²	65.2	56%	0.558	39%	0.388	S	S	*	.	S	Bend	trans	-65.5	154.4	175.9	30.3	-34	0	0	0	110	P598 E645	P598-P679 HydrophobicContact CB-CB 4.37Å; P598-P679 HydrophobicContact CG-CB 4.08Å; P598-P679 HydrophobicContact CG-CG 4.47Å; E645-P679 VanDerWaalsContact OE2-CA 3.27Å; E645-P679 WeakPolarHBondContact OE2-CA 3.39Å; E645-P679 VanDerWaalsContact OE2-CB 3.3Å; E645-P679 WeakPolarHBondContact OE2-CB 3.46Å
680	C	89.8	Confident	68.2	Low	14 Å²	14	67.9 Å²	67.9	10%	0.095	42%	0.416	C	S	.	.	P	Polyproline II helix	trans	-70.8	139.2	173.9	-71.3	0	0	0	0	110.9	C600 Q643 E645 E682	C600-C680 WeakPolarHBondContact CA-SG 3.22Å; C600-C680 HydrophobicContact CB-CB 3.91Å; C600-C680 WeakPolarHBondContact CB-SG 3.24Å; C600-C680 WeakPolarHBondContact SG-CA 3.36Å; C600-C680 WeakPolarHBondContact SG-CB 3.44Å; C600-C680 CovalentContact SG-SG 2.03Å; C600-C680 PolarHBondContact SG-SG 3.02Å; Q643-C680 VanDerWaalsContact CD-CB 3.48Å; Q643-C680 HydrophobicContact CG-CB 3.53Å; Q643-C680 WeakPolarHBondContact CG-SG 3.06Å; E645-C680 HydrophobicContact CB-CB 4.49Å; E645-C680 PolarHBondContact OE2-N 2.95Å; E645-C680 VanDerWaalsContact OE2-N 3.08Å; C680-E682 PolarHBondContact O-N 3.03Å
681	P	83.8	Confident	64.8	Low	82 Å²	82	73.8 Å²	73.8	53%	0.532	46%	0.457	S	S	.	.	P	Polyproline II helix	trans	-60.2	134.2	179.1	22.6	-30.9	0	0	0	110.7	Q643 T683	Q643-P681 PolarHBondContact NE2-O 2.71Å; P681-T683 PolarHBondContact O-N 2.89Å
682	E	71.8	Confident	61.7	Low	181 Å²	181	78.7 Å²	78.7	85%	0.846	49%	0.491	S	S	*	.	P	Polyproline II helix	trans	-63.6	127.4	174.6	-70.4	-168	171.9	0	0	109	C680 E684	C680-E682 PolarHBondContact O-N 3.03Å; E682-E684 PolarHBondContact O-N 3.2Å; E682-E684 VanDerWaalsContact O-N 3.1Å
683	T	55	Low	59	Low	87 Å²	87	85.2 Å²	85.2	53%	0.534	53%	0.526	S	S	.	.			trans	-76.6	99.4	172.1	-25.9	0	0	0	0	106.4	P681 V685	P681-T683 PolarHBondContact O-N 2.89Å; T683-V685 HydrophobicContact CG2-CG2 4.39Å; T683-V685 PolarHBondContact O-N 3.05Å
684	E	35.8	Very low	55.8	Low	167 Å²	167	94.5 Å²	94.5	78%	0.78	57%	0.57	S	S	*	*			trans	-65.2	80.8	171.8	-76.7	-160	-178.2	0	0	109.8	E682 T686	E682-E684 PolarHBondContact O-N 3.2Å; E682-E684 VanDerWaalsContact O-N 3.1Å; E684-T686 VanDerWaalsContact C-N 3.26Å; E684-T686 PolarHBondContact O-N 3.36Å
685	V	37	Very low	53	Low	110 Å²	110	101.1 Å²	101.1	67%	0.667	60%	0.604	S	S	*	*			trans	-93.1	74.2	156.7	-170.2	0	0	0	0	105.8	T683 V687	T683-V685 HydrophobicContact CG2-CG2 4.39Å; T683-V685 PolarHBondContact O-N 3.05Å; V685-V687 HydrophobicContact CG1-CG2 3.84Å; V685-V687 PolarHBondContact O-N 2.89Å
686	T	28.5	Very low	50.1	Low	118 Å²	118	113.5 Å²	113.5	72%	0.724	66%	0.662	S	S	*	*			trans	-66.9	91	162.6	40.4	0	0	0	0	107.1	E684 A688	E684-T686 VanDerWaalsContact C-N 3.26Å; E684-T686 PolarHBondContact O-N 3.36Å; T686-A688 PolarHBondContact O-N 2.87Å
687	V	29.6	Very low	48.3	Very low	108 Å²	108	116.8 Å²	116.8	66%	0.655	68%	0.682	S	S	*	*			trans	-65.8	90.4	165.8	-176.5	0	0	0	0	106.2	V685 V689	V685-V687 HydrophobicContact CG1-CG2 3.84Å; V685-V687 PolarHBondContact O-N 2.89Å; V687-V689 VanDerWaalsContact C-N 3.29Å; V687-V689 HydrophobicContact CG1-CG2 4.11Å; V687-V689 PolarHBondContact O-N 2.8Å
688	A	28.1	Very low	46.4	Very low	91 Å²	91	120.3 Å²	120.3	75%	0.752	70%	0.699	S	S	*	*			trans	-59.6	103.2	157	0	0	0	0	0	105.8	T686 G690	T686-A688 PolarHBondContact O-N 2.87Å; A688-G690 PolarHBondContact O-N 3.37Å
689	V	29.6	Very low	44.1	Very low	137 Å²	137	125.8 Å²	125.8	83%	0.83	73%	0.726	S	S	*	*			trans	-67.7	76.8	167.6	-178.8	0	0	0	0	106.5	V687	V687-V689 VanDerWaalsContact C-N 3.29Å; V687-V689 HydrophobicContact CG1-CG2 4.11Å; V687-V689 PolarHBondContact O-N 2.8Å
690	G	29.5	Very low	41.5	Very low	56 Å²	56	128.1 Å²	128.1	58%	0.577	74%	0.736	S	S	*	*			trans	-82.6	110.7	165.5	0	0	0	0	0	107.5	A688 S692	A688-G690 PolarHBondContact O-N 3.37Å; G690-S692 VanDerWaalsContact C-N 3.35Å; G690-S692 PolarHBondContact O-N 3.08Å
691	S	28.7	Very low	38.5	Very low	124 Å²	124	135.3 Å²	135.3	87%	0.867	78%	0.776	S	S	*	*			trans	-62.4	95.7	167.7	57.9	0	0	0	0	109.4
692	S	31.7	Very low	35.5	Very low	103 Å²	103	138.8 Å²	138.8	72%	0.72	79%	0.792	S	S	*	*			trans	-142.3	103.4	161.9	54.1	0	0	0	0	108.5	G690 E694	G690-S692 VanDerWaalsContact C-N 3.35Å; G690-S692 PolarHBondContact O-N 3.08Å; S692-E694 PolarHBondContact O-N 3.44Å; S692-E694 VanDerWaalsContact O-N 3.13Å
693	N	35.1	Very low	32.9	Very low	168 Å²	168	135.8 Å²	135.8	90%	0.898	79%	0.788	S	S	*	*			trans	-59.3	109.6	163	-72.5	-29.7	0	0	0	108
694	E	28.6	Very low	31.2	Very low	195 Å²	195	139.5 Å²	139.5	91%	0.911	81%	0.808	S	S	*	*			trans	-156.7	100.5	154	-109.3	165.8	-147.8	0	0	108.2	S692	S692-E694 PolarHBondContact O-N 3.44Å; S692-E694 VanDerWaalsContact O-N 3.13Å
695	I	33	Very low	30.8	Very low	171 Å²	171	137.3 Å²	137.3	88%	0.877	81%	0.81	S	S	*	*			trans	-97.9	122.3	169.2	-65.2	169.7	0	0	0	106
696	E	30.1	Very low	30.2	Very low	266 Å²	266	139.7 Å²	139.7	100%	1.243	82%	0.823	S	S	*	*				-172.1	0	121.7	-126.4	179.9	171.7	0	0	112.6

Retrieved 696 of 696 residues in 316.5 ms (Link to these results)

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