A0A087X3R3_POEFO Loading...

Lysyl oxidase homolog

Mediates the post-translational oxidative deamination of lysine residues on target proteins leading to the formation of deaminated lysine (allysine).

AlphaFold DB , UniProt , Accession A0A087X3R3, Species POEFO (Poecilia formosa, Amazon molly), Gene LOX, Length 376 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	54.4	Low	60.9	Low	235 Å²	235	143.8 Å²	143.8	100%	1.158	71%	0.712	S	S	*	*				0	-23.7	0	-101.7	161.5	131.5	0	0	115.5
2	K	53.5	Low	62	Low	186 Å²	186	137.8 Å²	137.8	81%	0.809	70%	0.695	S	S	*	*			trans	-76.8	-24.5	-175.4	-72.1	-177.5	176.2	-179.7	0	116.5
3	L	53.4	Low	63.1	Low	158 Å²	158	138.6 Å²	138.6	83%	0.827	69%	0.691	S	S	*	*	H	α-helix	trans	-74.8	-30.4	-175	-135.9	76.4	0	0	0	114.2
4	R	54.3	Low	64.1	Low	206 Å²	206	132 Å²	132	78%	0.777	67%	0.669	S	S	*	*	H	α-helix	trans	-76.5	-21.6	-178.9	-71.3	-174.8	176.9	-176.3	-1.2	113.5	R8	R4-R8 WeakPolarHBondContact O-CG 3.48Å
5	S	57.5	Low	64.9	Low	76 Å²	76	131 Å²	131	53%	0.531	66%	0.661	S	S	.	*	H	α-helix	trans	-77.8	-39.7	178.1	178.7	0	0	0	0	111.5	R8 L9	S5-R8 PolarHBondContact O-N 3.4Å; S5-L9 PolarHBondContact O-N 2.95Å; S5-L9 VanDerWaalsContact O-N 3.1Å
6	F	58.7	Low	65.8	Low	165 Å²	165	127.8 Å²	127.8	72%	0.724	65%	0.65	S	S	*	*	H	α-helix	trans	-63.9	-41.2	175.1	-96.7	-88.6	0	0	0	112.9	R8 L9 A10	F6-R8 VanDerWaalsContact C-N 3.33Å; F6-R8 PolarHBondContact O-N 2.99Å; F6-L9 PolarHBondContact O-N 3.31Å; F6-A10 WeakPolarHBondContact O-CB 3.41Å; F6-A10 PolarHBondContact O-N 3.36Å
7	A	62.9	Low	66.4	Low	62 Å²	62	123.6 Å²	123.6	51%	0.512	63%	0.634	S	S	.	*	H	α-helix	trans	-63.6	-37.3	177.9	0	0	0	0	0	112.6	L11	A7-L11 WeakPolarHBondContact O-CB 3.35Å; A7-L11 PolarHBondContact O-N 3.16Å
8	R	64.1	Low	66.9	Low	193 Å²	193	124.1 Å²	124.1	73%	0.728	63%	0.631	S	S	*	*	H	α-helix	trans	-71.2	-37.1	176.8	-70.7	179.3	-175.8	-171.7	-0.5	112.4	R4 S5 F6 S12	R4-R8 WeakPolarHBondContact O-CG 3.48Å; S5-R8 PolarHBondContact O-N 3.4Å; F6-R8 VanDerWaalsContact C-N 3.33Å; F6-R8 PolarHBondContact O-N 2.99Å; R8-S12 WeakPolarHBondContact O-CB 3.45Å; R8-S12 PolarHBondContact O-N 3.42Å
9	L	69.1	Low	67.3	Low	126 Å²	126	123.5 Å²	123.5	66%	0.66	63%	0.629	S	S	*	*	H	α-helix	trans	-66.7	-42.4	175.9	-142.7	87.1	0	0	0	111.2	S5 F6 S12 F13	S5-L9 PolarHBondContact O-N 2.95Å; S5-L9 VanDerWaalsContact O-N 3.1Å; F6-L9 PolarHBondContact O-N 3.31Å; L9-S12 PolarHBondContact O-N 3.1Å; L9-F13 WeakPolarHBondContact O-CB 3.46Å; L9-F13 PolarHBondContact O-N 3.42Å
10	A	70.4	Confident	67.7	Low	63 Å²	63	120.8 Å²	120.8	52%	0.521	62%	0.621	S	S	.	*	H	α-helix	trans	-65	-40.3	176.9	0	0	0	0	0	112.3	F6 F13 A14	F6-A10 WeakPolarHBondContact O-CB 3.41Å; F6-A10 PolarHBondContact O-N 3.36Å; A10-F13 PolarHBondContact O-N 3.06Å; A10-A14 WeakPolarHBondContact O-CB 3.42Å; A10-A14 PolarHBondContact O-N 3.4Å
11	L	71.7	Confident	68	Low	112 Å²	112	118.6 Å²	118.6	59%	0.586	62%	0.615	S	S	*	*	H	α-helix	trans	-66.9	-40	176.8	-142.1	84.9	0	0	0	111.9	A7 F13 A14 H15	A7-L11 WeakPolarHBondContact O-CB 3.35Å; A7-L11 PolarHBondContact O-N 3.16Å; L11-F13 VanDerWaalsContact C-N 3.34Å; L11-A14 PolarHBondContact O-N 2.96Å; L11-H15 PolarHBondContact O-CD2 2.95Å; L11-H15 VanDerWaalsContact O-CD2 3.25Å; L11-H15 PolarHBondContact O-N 3.45Å
12	S	73.8	Confident	68.7	Low	72 Å²	72	113.7 Å²	113.7	50%	0.503	59%	0.588	S	S	.	*	H	α-helix	trans	-63.8	-40.6	175.4	-169.1	0	0	0	0	111.6	R8 L9 H15 V16	R8-S12 WeakPolarHBondContact O-CB 3.45Å; R8-S12 PolarHBondContact O-N 3.42Å; L9-S12 PolarHBondContact O-N 3.1Å; S12-H15 PolarHBondContact O-N 3.35Å; S12-V16 WeakPolarHBondContact O-CG2 3.46Å; S12-V16 PolarHBondContact O-N 3.38Å
13	F	76.4	Confident	69.4	Low	148 Å²	148	109.9 Å²	109.9	65%	0.649	58%	0.576	S	S	*	*	H	α-helix	trans	-67.8	-39.8	177.9	-159.1	-97.3	0	0	0	111.6	L9 A10 L11 H15 V16 C17	L9-F13 WeakPolarHBondContact O-CB 3.46Å; L9-F13 PolarHBondContact O-N 3.42Å; A10-F13 PolarHBondContact O-N 3.06Å; L11-F13 VanDerWaalsContact C-N 3.34Å; F13-H15 PolarHBondContact O-N 3.49Å; F13-V16 PolarHBondContact O-N 3.41Å; F13-C17 PolarHBondContact O-N 3.25Å; F13-C17 PolarHBondContact O-SG 3.04Å
14	A	77.3	Confident	69.9	Low	46 Å²	46	109.4 Å²	109.4	38%	0.38	57%	0.569	S	S	.	*	H	α-helix	trans	-62.3	-41.3	174.2	0	0	0	0	0	112.3	A10 L11 C17 F18	A10-A14 WeakPolarHBondContact O-CB 3.42Å; A10-A14 PolarHBondContact O-N 3.4Å; L11-A14 PolarHBondContact O-N 2.96Å; A14-C17 PolarHBondContact O-N 3Å; A14-F18 WeakPolarHBondContact O-CD2 3.45Å; A14-F18 PolarHBondContact O-N 3.49Å
15	H	76.4	Confident	70.3	Confident	117 Å²	117	103.2 Å²	103.2	54%	0.542	55%	0.554	S	S	.	*	H	α-helix	trans	-65.8	-39.8	176	-83.6	-60.3	0	0	0	112.9	L11 S12 F13 F18 L19	L11-H15 PolarHBondContact O-CD2 2.95Å; L11-H15 VanDerWaalsContact O-CD2 3.25Å; L11-H15 PolarHBondContact O-N 3.45Å; S12-H15 PolarHBondContact O-N 3.35Å; F13-H15 PolarHBondContact O-N 3.49Å; H15-F18 PolarHBondContact O-N 3.44Å; H15-L19 WeakPolarHBondContact O-CB 3.47Å; H15-L19 PolarHBondContact O-N 3.32Å
16	V	78.9	Confident	70.4	Confident	80 Å²	80	103.6 Å²	103.6	49%	0.485	55%	0.553	S	S	.	*	H	α-helix	trans	-65.5	-42.7	175.6	172.4	0	0	0	0	110.9	S12 F13 L19 C20	S12-V16 WeakPolarHBondContact O-CG2 3.46Å; S12-V16 PolarHBondContact O-N 3.38Å; F13-V16 PolarHBondContact O-N 3.41Å; V16-L19 PolarHBondContact O-N 3.46Å; V16-C20 PolarHBondContact O-N 3.45Å; V16-C20 PolarHBondContact O-SG 3.27Å
17	C	76.4	Confident	70.4	Confident	57 Å²	57	99.5 Å²	99.5	39%	0.385	54%	0.544	S	S	.	.	H	α-helix	trans	-62	-43.3	174.5	-74.2	0	0	0	0	112	F13 A14 C20 C21	F13-C17 PolarHBondContact O-N 3.25Å; F13-C17 PolarHBondContact O-SG 3.04Å; A14-C17 PolarHBondContact O-N 3Å; C17-C20 PolarHBondContact O-N 2.94Å; C17-C21 PolarHBondContact O-N 3.33Å; C17-C21 PolarHBondContact O-SG 3.03Å
18	F	75.1	Confident	70	Confident	131 Å²	131	99.3 Å²	99.3	58%	0.575	54%	0.543	S	S	*	.	H	α-helix	trans	-61.3	-45.1	175.6	-99.9	-76.4	0	0	0	111.8	A14 H15 C20 C21 F22	A14-F18 WeakPolarHBondContact O-CD2 3.45Å; A14-F18 PolarHBondContact O-N 3.49Å; H15-F18 PolarHBondContact O-N 3.44Å; F18-C20 VanDerWaalsContact C-N 3.35Å; F18-C20 PolarHBondContact O-N 3.35Å; F18-C21 PolarHBondContact O-N 2.94Å; F18-F22 HydrophobicContact CD1-CD2 4.31Å; F18-F22 AromaticContact CD1-CE2 3.93Å; F18-F22 HydrophobicContact CD1-CE2 3.93Å; F18-F22 VanDerWaalsContact O-CD2 3.24Å; F18-F22 WeakPolarHBondContact O-CD2 3.35Å; F18-F22 PolarHBondContact O-N 2.97Å
19	L	75.4	Confident	69.4	Low	113 Å²	113	96.8 Å²	96.8	59%	0.592	54%	0.539	S	S	*	.	H	α-helix	trans	-62.1	-40	176.7	-108.5	136.3	0	0	0	112.4	H15 V16 F22 L23	H15-L19 WeakPolarHBondContact O-CB 3.47Å; H15-L19 PolarHBondContact O-N 3.32Å; V16-L19 PolarHBondContact O-N 3.46Å; L19-F22 PolarHBondContact O-N 2.92Å; L19-L23 WeakPolarHBondContact O-CB 3.45Å; L19-L23 WeakPolarHBondContact O-CG 3.24Å; L19-L23 PolarHBondContact O-N 2.97Å
20	C	74.4	Confident	68.6	Low	69 Å²	69	97.1 Å²	97.1	47%	0.466	54%	0.537	S	S	.	.	H	α-helix	trans	-65.8	-44.8	176.3	-66	0	0	0	0	111.6	V16 C17 F18 F22 L23 E24	V16-C20 PolarHBondContact O-N 3.45Å; V16-C20 PolarHBondContact O-SG 3.27Å; C17-C20 PolarHBondContact O-N 2.94Å; F18-C20 VanDerWaalsContact C-N 3.35Å; F18-C20 PolarHBondContact O-N 3.35Å; C20-F22 VanDerWaalsContact C-N 3.34Å; C20-F22 PolarHBondContact O-N 3.44Å; C20-L23 PolarHBondContact O-N 2.93Å; C20-E24 PolarHBondContact O-N 2.92Å
21	C	74.5	Confident	67.5	Low	76 Å²	76	96.8 Å²	96.8	51%	0.514	54%	0.535	S	S	.	.	H	α-helix	trans	-62.3	-40.7	176.2	-67.3	0	0	0	0	111.9	C17 F18 E24 T25	C17-C21 PolarHBondContact O-N 3.33Å; C17-C21 PolarHBondContact O-SG 3.03Å; F18-C21 PolarHBondContact O-N 2.94Å; C21-E24 PolarHBondContact O-N 2.99Å; C21-T25 WeakPolarHBondContact O-CG2 3.49Å; C21-T25 PolarHBondContact O-N 3.49Å; C21-T25 PolarHBondContact O-OG1 3.39Å
22	F	69.6	Low	66.3	Low	131 Å²	131	94.4 Å²	94.4	58%	0.575	53%	0.531	S	S	*	.	H	α-helix	trans	-64.2	-43.1	176.1	-90.4	-72.3	0	0	0	111.8	F18 L19 C20 E24 T25 V26	F18-F22 HydrophobicContact CD1-CD2 4.31Å; F18-F22 AromaticContact CD1-CE2 3.93Å; F18-F22 HydrophobicContact CD1-CE2 3.93Å; F18-F22 VanDerWaalsContact O-CD2 3.24Å; F18-F22 WeakPolarHBondContact O-CD2 3.35Å; F18-F22 PolarHBondContact O-N 2.97Å; L19-F22 PolarHBondContact O-N 2.92Å; C20-F22 VanDerWaalsContact C-N 3.34Å; C20-F22 PolarHBondContact O-N 3.44Å; F22-E24 PolarHBondContact O-N 3.48Å; F22-T25 WeakPolarHBondContact CA-OG1 3.32Å; F22-T25 PolarHBondContact O-N 2.95Å; F22-T25 PolarHBondContact O-OG1 3.29Å; F22-V26 VanDerWaalsContact O-CG2 3.32Å; F22-V26 WeakPolarHBondContact O-CG2 3.41Å; F22-V26 PolarHBondContact O-N 3.44Å
23	L	66.9	Low	64.9	Low	106 Å²	106	97.1 Å²	97.1	56%	0.555	54%	0.536	S	S	*	.	H	α-helix	trans	-63.8	-39.7	176.8	-76.6	163.9	0	0	0	112.5	L19 C20 V26 C27	L19-L23 WeakPolarHBondContact O-CB 3.45Å; L19-L23 WeakPolarHBondContact O-CG 3.24Å; L19-L23 PolarHBondContact O-N 2.97Å; C20-L23 PolarHBondContact O-N 2.93Å; L23-V26 PolarHBondContact O-N 3.39Å; L23-C27 WeakPolarHBondContact O-CB 3.38Å; L23-C27 PolarHBondContact O-N 3.03Å; L23-C27 PolarHBondContact O-SG 3.23Å
24	E	64.3	Low	63.6	Low	148 Å²	148	93 Å²	93	69%	0.692	53%	0.526	S	S	*	.	H	α-helix	trans	-65	-40.9	174	-75.6	-165.4	168.6	0	0	112.2	C20 C21 F22 V26 C27 A28	C20-E24 PolarHBondContact O-N 2.92Å; C21-E24 PolarHBondContact O-N 2.99Å; F22-E24 PolarHBondContact O-N 3.48Å; E24-V26 PolarHBondContact O-N 2.9Å; E24-C27 PolarHBondContact O-N 3.28Å; E24-A28 WeakPolarHBondContact O-CB 3.38Å; E24-A28 PolarHBondContact O-N 3.32Å
25	T	62.6	Low	62	Low	76 Å²	76	95.7 Å²	95.7	47%	0.466	53%	0.534	S	S	.	.	H	α-helix	trans	-65	-37.3	175.8	53.8	0	0	0	0	112.7	C21 F22 A28 Q29	C21-T25 WeakPolarHBondContact O-CG2 3.49Å; C21-T25 PolarHBondContact O-N 3.49Å; C21-T25 PolarHBondContact O-OG1 3.39Å; F22-T25 WeakPolarHBondContact CA-OG1 3.32Å; F22-T25 PolarHBondContact O-N 2.95Å; F22-T25 PolarHBondContact O-OG1 3.29Å; T25-A28 PolarHBondContact O-N 3.49Å; T25-Q29 WeakPolarHBondContact O-CB 3.34Å; T25-Q29 PolarHBondContact O-N 3.44Å
26	V	60.7	Low	60.5	Low	84 Å²	84	93.5 Å²	93.5	51%	0.509	54%	0.535	S	S	.	.	H	α-helix	trans	-69	-43.5	176.8	172.2	0	0	0	0	111.1	F22 L23 E24 A28 Q29 E30	F22-V26 VanDerWaalsContact O-CG2 3.32Å; F22-V26 WeakPolarHBondContact O-CG2 3.41Å; F22-V26 PolarHBondContact O-N 3.44Å; L23-V26 PolarHBondContact O-N 3.39Å; E24-V26 PolarHBondContact O-N 2.9Å; V26-A28 VanDerWaalsContact C-N 3.33Å; V26-A28 PolarHBondContact O-N 3.48Å; V26-Q29 PolarHBondContact O-N 2.97Å; V26-E30 PolarHBondContact O-N 3.38Å
27	C	56.9	Low	58.8	Low	79 Å²	79	95.5 Å²	95.5	53%	0.534	54%	0.543	S	S	.	.	H	α-helix	trans	-63.3	-37.8	174.4	-76.8	0	0	0	0	112.4	L23 E24 Q29 A31	L23-C27 WeakPolarHBondContact O-CB 3.38Å; L23-C27 PolarHBondContact O-N 3.03Å; L23-C27 PolarHBondContact O-SG 3.23Å; E24-C27 PolarHBondContact O-N 3.28Å; C27-Q29 VanDerWaalsContact C-N 3.3Å; C27-Q29 PolarHBondContact O-N 3Å; C27-A31 WeakPolarHBondContact O-CB 3.26Å; C27-A31 PolarHBondContact O-N 2.75Å
28	A	55.8	Low	57.3	Low	58 Å²	58	102.4 Å²	102.4	48%	0.479	56%	0.561	S	S	.	*	H	α-helix	trans	-67.4	-31.9	176	0	0	0	0	0	112.2	E24 T25 V26 A32	E24-A28 WeakPolarHBondContact O-CB 3.38Å; E24-A28 PolarHBondContact O-N 3.32Å; T25-A28 PolarHBondContact O-N 3.49Å; V26-A28 VanDerWaalsContact C-N 3.33Å; V26-A28 PolarHBondContact O-N 3.48Å; A28-A32 WeakPolarHBondContact O-CB 3.34Å; A28-A32 PolarHBondContact O-N 3.25Å
29	Q	51.7	Low	56.1	Low	140 Å²	140	106.9 Å²	106.9	65%	0.654	57%	0.574	S	S	*	*	H	α-helix	trans	-75.6	-39.6	178.7	-151.9	156.1	-24.4	0	0	111.7	T25 V26 C27 A31 A32 E33	T25-Q29 WeakPolarHBondContact O-CB 3.34Å; T25-Q29 PolarHBondContact O-N 3.44Å; V26-Q29 PolarHBondContact O-N 2.97Å; C27-Q29 VanDerWaalsContact C-N 3.3Å; C27-Q29 PolarHBondContact O-N 3Å; Q29-A31 VanDerWaalsContact C-N 3.34Å; Q29-A32 PolarHBondContact O-N 3.38Å; Q29-E33 WeakPolarHBondContact O-CB 3.36Å; Q29-E33 PolarHBondContact O-N 2.68Å
30	E	50.6	Low	54.9	Low	133 Å²	133	102.7 Å²	102.7	62%	0.621	56%	0.558	S	S	*	*	H	α-helix	trans	-62.6	-38.5	168.4	-98.1	-171.5	148.5	0	0	112.3	V26 S34	V26-E30 PolarHBondContact O-N 3.38Å; E30-S34 WeakPolarHBondContact O-CB 3.32Å; E30-S34 PolarHBondContact O-N 3.01Å; E30-S34 PolarHBondContact O-OG 3.45Å
31	A	48.8	Very low	54.2	Low	57 Å²	57	106 Å²	106	47%	0.471	57%	0.57	S	S	.	*	H	α-helix	trans	-67.9	-35.4	176.2	0	0	0	0	0	112.6	C27 Q29 S34 D35	C27-A31 WeakPolarHBondContact O-CB 3.26Å; C27-A31 PolarHBondContact O-N 2.75Å; Q29-A31 VanDerWaalsContact C-N 3.34Å; A31-S34 WeakPolarHBondContact CA-OG 3.4Å; A31-S34 PolarHBondContact O-OG 2.96Å; A31-D35 PolarHBondContact O-N 3.05Å
32	A	46.2	Very low	53.4	Low	61 Å²	61	106.9 Å²	106.9	50%	0.504	57%	0.573	S	S	.	*	H	α-helix	trans	-75.2	-36.7	176.6	0	0	0	0	0	112.6	A28 Q29 D35 A36	A28-A32 WeakPolarHBondContact O-CB 3.34Å; A28-A32 PolarHBondContact O-N 3.25Å; Q29-A32 PolarHBondContact O-N 3.38Å; A32-D35 PolarHBondContact O-N 3.33Å; A32-A36 PolarHBondContact O-N 3.03Å
33	E	44.7	Very low	52.8	Low	130 Å²	130	107.2 Å²	107.2	61%	0.607	57%	0.571	S	S	*	*	H	α-helix	trans	-70.1	-36.4	177.6	-155	173.2	-158.5	0	0	111.5	Q29 A36 L37	Q29-E33 WeakPolarHBondContact O-CB 3.36Å; Q29-E33 PolarHBondContact O-N 2.68Å; E33-A36 PolarHBondContact O-N 3.04Å; E33-L37 WeakPolarHBondContact O-CB 3.47Å; E33-L37 PolarHBondContact O-N 2.98Å
34	S	48.6	Very low	52.5	Low	62 Å²	62	108.6 Å²	108.6	43%	0.434	57%	0.574	S	S	.	*	H	α-helix	trans	-69.9	-28.1	173.3	49.8	0	0	0	0	113.9	E30 A31 R38	E30-S34 WeakPolarHBondContact O-CB 3.32Å; E30-S34 PolarHBondContact O-N 3.01Å; E30-S34 PolarHBondContact O-OG 3.45Å; A31-S34 WeakPolarHBondContact CA-OG 3.4Å; A31-S34 PolarHBondContact O-OG 2.96Å; S34-R38 VanDerWaalsContact O-CG 3.26Å; S34-R38 WeakPolarHBondContact O-CG 3.41Å; S34-R38 PolarHBondContact O-N 3.2Å
35	D	44	Very low	51.7	Low	102 Å²	102	107 Å²	107	55%	0.545	57%	0.567	S	S	.	*	H	α-helix	trans	-81.3	-27.8	174.3	-142	38.3	0	0	0	112.5	A31 A32	A31-D35 PolarHBondContact O-N 3.05Å; A32-D35 PolarHBondContact O-N 3.33Å
36	A	44.1	Very low	51	Low	70 Å²	70	110.2 Å²	110.2	58%	0.579	58%	0.581	S	S	*	*	H	α-helix	trans	-72.7	-38.6	171.4	0	0	0	0	0	112.6	A32 E33 R38 R39	A32-A36 PolarHBondContact O-N 3.03Å; E33-A36 PolarHBondContact O-N 3.04Å; A36-R38 PolarHBondContact O-N 3.5Å; A36-R39 PolarHBondContact O-N 3.42Å
37	L	43.3	Very low	50.9	Low	123 Å²	123	109.1 Å²	109.1	64%	0.644	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.8	-14.2	173.9	-106.8	143.6	0	0	0	113.8	E33	E33-L37 WeakPolarHBondContact O-CB 3.47Å; E33-L37 PolarHBondContact O-N 2.98Å
38	R	46.2	Very low	50.4	Low	201 Å²	201	110.6 Å²	110.6	76%	0.758	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.7	-9.3	176.2	-85.4	176	171.6	-167	-0.2	114.7	S34 A36 G40	S34-R38 VanDerWaalsContact O-CG 3.26Å; S34-R38 WeakPolarHBondContact O-CG 3.41Å; S34-R38 PolarHBondContact O-N 3.2Å; A36-R38 PolarHBondContact O-N 3.5Å; R38-G40 PolarHBondContact O-N 2.9Å
39	R	48.1	Very low	50.5	Low	226 Å²	226	112.5 Å²	112.5	85%	0.853	59%	0.591	S	S	*	*	S	Bend	trans	-82.5	63.2	171.2	-65.1	-172.1	-178.8	-162.2	1.4	110.2	A36	A36-R39 PolarHBondContact O-N 3.42Å
40	G	51.9	Low	50.5	Low	24 Å²	24	109.7 Å²	109.7	25%	0.247	58%	0.577	C	S	.	*			trans	-64.3	143.5	-179.5	0	0	0	0	0	112.5	R38 T42	R38-G40 PolarHBondContact O-N 2.9Å; G40-T42 PolarHBondContact O-N 3.33Å; G40-T42 VanDerWaalsContact O-N 3.07Å
41	L	58.3	Low	50.6	Low	139 Å²	139	105.9 Å²	105.9	73%	0.728	57%	0.565	S	S	*	*			trans	-51.9	111.8	170.4	-73.4	138.8	0	0	0	109.8
42	T	59.1	Low	50.9	Low	95 Å²	95	108.9 Å²	108.9	58%	0.583	57%	0.572	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-111.9	130.9	173.3	56	0	0	0	0	110	G40 F50	G40-T42 PolarHBondContact O-N 3.33Å; G40-T42 VanDerWaalsContact O-N 3.07Å; T42-F50 VanDerWaalsContact CA-O 3.3Å; T42-F50 WeakPolarHBondContact CA-O 3.34Å
43	W	56.4	Low	51.3	Low	137 Å²	137	112 Å²	112	52%	0.519	58%	0.579	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-128	158.9	169.1	77.2	99.6	0	0	0	110.8	F50 I52	W43-F50 HydrophobicContact CD2-CB 4.23Å; W43-F50 HydrophobicContact CE3-CB 4.31Å; W43-F50 HydrophobicContact CH2-CB 3.86Å; W43-F50 HydrophobicContact CZ2-CB 3.75Å; W43-F50 HydrophobicContact CZ2-CG 4.28Å; W43-F50 HydrophobicContact CZ3-CB 4.13Å; W43-F50 PolarHBondContact N-O 3.41Å; W43-F50 PolarHBondContact O-N 3Å; W43-I52 HydrophobicContact CH2-CD1 4.49Å; W43-I52 HydrophobicContact CH2-CG1 4.29Å; W43-I52 HydrophobicContact CZ3-CD1 3.87Å; W43-I52 HydrophobicContact CZ3-CG1 3.87Å
44	Q	61.3	Low	51.4	Low	136 Å²	136	110 Å²	110	64%	0.636	58%	0.579	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-118.8	130.2	-178.5	-169.7	179.7	5.2	0	0	110.5	Q48 V49	Q44-Q48 VanDerWaalsContact CA-O 3.3Å; Q44-Q48 WeakPolarHBondContact CA-O 3.45Å; Q44-Q48 WeakPolarHBondContact CG-O 3.46Å; Q44-V49 HydrophobicContact CB-CG2 4.36Å; Q44-V49 HydrophobicContact CG-CG2 4.11Å
45	H	46.8	Very low	51.2	Low	115 Å²	115	119.4 Å²	119.4	53%	0.532	61%	0.606	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-137	129.9	172.4	-175.4	-107.2	0	0	0	109	G47 Q48	H45-G47 VanDerWaalsContact C-N 3.26Å; H45-G47 PolarHBondContact O-N 3.39Å; H45-G47 VanDerWaalsContact O-N 3.16Å; H45-Q48 PolarHBondContact N-O 3.35Å; H45-Q48 PolarHBondContact O-N 3.41Å; H45-Q48 VanDerWaalsContact O-N 3.08Å
46	N	47.4	Very low	51.2	Low	143 Å²	143	117.1 Å²	117.1	77%	0.765	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	50.3	39.3	179.8	-65.1	-16.5	0	0	0	115.1	Q48	N46-Q48 VanDerWaalsContact C-N 3.3Å; N46-Q48 PolarHBondContact O-N 2.96Å
47	G	57.9	Low	51.2	Low	61 Å²	61	118.6 Å²	118.6	63%	0.629	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	82.3	-0.6	177.1	0	0	0	0	0	115.3	H45	H45-G47 VanDerWaalsContact C-N 3.26Å; H45-G47 PolarHBondContact O-N 3.39Å; H45-G47 VanDerWaalsContact O-N 3.16Å
48	Q	46.5	Very low	51	Low	110 Å²	110	121.5 Å²	121.5	51%	0.514	63%	0.629	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-106.7	137.8	176.5	-67.4	-179	-30.4	0	0	110.8	Q44 H45 N46 F50	Q44-Q48 VanDerWaalsContact CA-O 3.3Å; Q44-Q48 WeakPolarHBondContact CA-O 3.45Å; Q44-Q48 WeakPolarHBondContact CG-O 3.46Å; H45-Q48 PolarHBondContact N-O 3.35Å; H45-Q48 PolarHBondContact O-N 3.41Å; H45-Q48 VanDerWaalsContact O-N 3.08Å; N46-Q48 VanDerWaalsContact C-N 3.3Å; N46-Q48 PolarHBondContact O-N 2.96Å; Q48-F50 HydrophobicContact CB-CE2 3.61Å; Q48-F50 HydrophobicContact CB-CZ 3.74Å
49	V	58.7	Low	50.5	Low	98 Å²	98	120.7 Å²	120.7	59%	0.594	63%	0.627	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-104.2	127.5	179	179.8	0	0	0	0	108.9	Q44	Q44-V49 HydrophobicContact CB-CG2 4.36Å; Q44-V49 HydrophobicContact CG-CG2 4.11Å
50	F	50.9	Low	49.9	Very low	81 Å²	81	120.8 Å²	120.8	36%	0.355	63%	0.627	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-114	139.9	-178.9	-59.6	-89.5	0	0	0	110	T42 W43 Q48	T42-F50 VanDerWaalsContact CA-O 3.3Å; T42-F50 WeakPolarHBondContact CA-O 3.34Å; W43-F50 HydrophobicContact CD2-CB 4.23Å; W43-F50 HydrophobicContact CE3-CB 4.31Å; W43-F50 HydrophobicContact CH2-CB 3.86Å; W43-F50 HydrophobicContact CZ2-CB 3.75Å; W43-F50 HydrophobicContact CZ2-CG 4.28Å; W43-F50 HydrophobicContact CZ3-CB 4.13Å; W43-F50 PolarHBondContact N-O 3.41Å; W43-F50 PolarHBondContact O-N 3Å; Q48-F50 HydrophobicContact CB-CE2 3.61Å; Q48-F50 HydrophobicContact CB-CZ 3.74Å
51	S	54.3	Low	48.9	Very low	53 Å²	53	124.3 Å²	124.3	37%	0.371	65%	0.646	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-133	128.3	177.3	-176.6	0	0	0	0	109.8	L53 S54	S51-L53 PolarHBondContact O-N 3.03Å; S51-L53 VanDerWaalsContact O-N 3.12Å; S51-S54 PolarHBondContact O-N 3.28Å
52	I	54.7	Low	47.7	Very low	119 Å²	119	124.6 Å²	124.6	61%	0.61	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.7	-11.2	-173	-80.1	159	0	0	0	113.9	W43	W43-I52 HydrophobicContact CH2-CD1 4.49Å; W43-I52 HydrophobicContact CH2-CG1 4.29Å; W43-I52 HydrophobicContact CZ3-CD1 3.87Å; W43-I52 HydrophobicContact CZ3-CG1 3.87Å
53	L	55.2	Low	46.5	Very low	127 Å²	127	123.8 Å²	123.8	67%	0.665	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.2	13.3	-178.8	-66.4	174.3	0	0	0	114.8	S51	S51-L53 PolarHBondContact O-N 3.03Å; S51-L53 VanDerWaalsContact O-N 3.12Å
54	S	46.4	Very low	45.3	Very low	87 Å²	87	129.1 Å²	129.1	61%	0.608	68%	0.684	S	S	*	*			trans	-90.6	115.7	175.8	-130.1	0	0	0	0	111.6	S51 G56	S51-S54 PolarHBondContact O-N 3.28Å; S54-G56 VanDerWaalsContact C-N 3.26Å; S54-G56 PolarHBondContact O-N 3.25Å
55	R	43.8	Very low	43.9	Very low	260 Å²	260	134.3 Å²	134.3	98%	0.981	70%	0.698	S	S	*	*	S	Bend	trans	-65.6	88.1	162.4	-69.7	-176.6	179.3	-174.5	-0.6	108.4
56	G	43.3	Very low	43.1	Very low	54 Å²	54	138.3 Å²	138.3	56%	0.557	72%	0.717	S	S	*	*	S	Bend	trans	100.6	125.6	172.3	0	0	0	0	0	114.3	S54 Q58	S54-G56 VanDerWaalsContact C-N 3.26Å; S54-G56 PolarHBondContact O-N 3.25Å; G56-Q58 PolarHBondContact O-N 3.34Å
57	A	45.8	Very low	42.3	Very low	101 Å²	101	137.5 Å²	137.5	84%	0.835	72%	0.722	S	S	*	*			trans	-72.9	113.3	173.5	0	0	0	0	0	110.2	Y59	A57-Y59 PolarHBondContact O-N 3.2Å
58	Q	37.8	Very low	40.9	Very low	185 Å²	185	138.2 Å²	138.2	86%	0.864	73%	0.73	S	S	*	*			trans	-85.2	111.1	173.2	-169.9	170.4	17.6	0	0	110.2	G56 R60	G56-Q58 PolarHBondContact O-N 3.34Å; Q58-R60 PolarHBondContact O-N 3.02Å
59	Y	36.2	Very low	40.1	Very low	184 Å²	184	138.7 Å²	138.7	72%	0.722	75%	0.745	S	S	*	*			trans	-65.2	125.1	173.8	178.6	-98.5	0	0	0	110.7	A57 P61	A57-Y59 PolarHBondContact O-N 3.2Å; Y59-P61 HydrophobicContact CE1-CB 4.17Å
60	R	35.3	Very low	39	Very low	227 Å²	227	140.2 Å²	140.2	86%	0.857	76%	0.757	S	S	*	*			trans	-113	118.4	173.6	-122.8	178.8	172.3	156.7	-1.4	109.2	Q58	Q58-R60 PolarHBondContact O-N 3.02Å
61	P	31.7	Very low	38	Very low	99 Å²	99	148.2 Å²	148.2	64%	0.643	79%	0.785	S	S	*	*			trans	-70.2	152.2	178.8	27.2	-32.1	0	0	0	111.6	Y59 G63	Y59-P61 HydrophobicContact CE1-CB 4.17Å; P61-G63 PolarHBondContact O-N 3.25Å
62	T	32.4	Very low	36.8	Very low	145 Å²	145	157.6 Å²	157.6	89%	0.89	81%	0.812	S	S	*	*			trans	-71.1	114.5	-173.4	40.6	0	0	0	0	112.4
63	G	33.6	Very low	35.8	Very low	78 Å²	78	156.9 Å²	156.9	80%	0.804	82%	0.818	S	S	*	*			trans	-77.6	131.2	170.3	0	0	0	0	0	112.2	P61	P61-G63 PolarHBondContact O-N 3.25Å
64	R	30.5	Very low	34.8	Very low	248 Å²	248	158 Å²	158	94%	0.936	83%	0.825	S	S	*	*			trans	-53.7	139.5	-178.1	-170.6	175.4	-178.9	179	0.4	114	Q66	R64-Q66 PolarHBondContact O-N 2.8Å
65	R	32.1	Very low	34.1	Very low	246 Å²	246	159.9 Å²	159.9	93%	0.928	83%	0.834	S	S	*	*			trans	-39.6	126.9	171.3	-93.4	179.9	168.9	-179.4	-2.8	113.3
66	Q	30.6	Very low	33.5	Very low	198 Å²	198	153.4 Å²	153.4	93%	0.925	82%	0.824	S	S	*	*			trans	-146.3	139.5	147.8	-96.5	176.9	15.3	0	0	110.6	R64	R64-Q66 PolarHBondContact O-N 2.8Å
67	S	31.1	Very low	32.8	Very low	126 Å²	126	158.7 Å²	158.7	88%	0.881	84%	0.838	S	S	*	*			trans	-77	141	-175.1	55.4	0	0	0	0	113.2
68	G	28.6	Very low	32.1	Very low	76 Å²	76	159.2 Å²	159.2	78%	0.784	83%	0.831	S	S	*	*			trans	154.1	104.4	162.3	0	0	0	0	0	114
69	S	28.4	Very low	31.7	Very low	120 Å²	120	158.5 Å²	158.5	84%	0.839	83%	0.832	S	S	*	*			trans	-62.4	167.8	167.8	-28.6	0	0	0	0	111.5
70	P	36.7	Very low	31.4	Very low	130 Å²	130	154.6 Å²	154.6	84%	0.844	83%	0.831	S	S	*	*			cis	-137.8	171.7	34.4	37.1	-14.9	0	0	0	118.4
71	R	30.5	Very low	31.2	Very low	250 Å²	250	150.1 Å²	150.1	94%	0.943	84%	0.835	S	S	*	*			trans	-56.7	145.1	-172.8	-68.2	167.5	164.2	171.5	-6.1	115.7
72	R	29.3	Very low	31.2	Very low	250 Å²	250	149.6 Å²	149.6	94%	0.943	84%	0.839	S	S	*	*			trans	-128.8	129.1	143.3	-161.9	172.1	-179.6	-178.9	-0.6	108.8
73	S	32.4	Very low	31.2	Very low	103 Å²	103	150 Å²	150	72%	0.72	84%	0.836	S	S	*	*			trans	-78.8	133	-171.2	47.5	0	0	0	0	112.8
74	D	33.8	Very low	31	Very low	152 Å²	152	154.3 Å²	154.3	81%	0.813	84%	0.841	S	S	*	*			trans	-137.6	138.2	146.5	-86.4	-37.6	0	0	0	108.5	V76	D74-V76 PolarHBondContact O-N 3.41Å
75	P	31.4	Very low	31.1	Very low	125 Å²	125	148.8 Å²	148.8	81%	0.812	83%	0.834	S	S	*	*			trans	-79.9	119.7	-173.4	30.8	-31.8	0	0	0	111
76	V	32	Very low	31	Very low	125 Å²	125	141.8 Å²	141.8	76%	0.758	83%	0.829	S	S	*	*			trans	-98.8	119	166.6	177.3	0	0	0	0	108	D74 V78	D74-V76 PolarHBondContact O-N 3.41Å; V76-V78 HydrophobicContact CG1-CG2 4.14Å; V76-V78 PolarHBondContact O-N 3.04Å
77	L	29.3	Very low	30.9	Very low	164 Å²	164	137.6 Å²	137.6	86%	0.859	83%	0.828	S	S	*	*			trans	-74.7	115.3	172.3	-139.2	108	0	0	0	108.3
78	V	31.1	Very low	30.8	Very low	113 Å²	113	135.2 Å²	135.2	69%	0.685	82%	0.824	S	S	*	*			trans	-108.3	114	176.7	-179.9	0	0	0	0	108.2	V76	V76-V78 HydrophobicContact CG1-CG2 4.14Å; V76-V78 PolarHBondContact O-N 3.04Å
79	L	28.2	Very low	30.8	Very low	169 Å²	169	136.8 Å²	136.8	89%	0.885	83%	0.829	S	S	*	*			trans	-88.5	106.5	166.8	-79.7	158.3	0	0	0	108.1
80	S	31.3	Very low	30.9	Very low	102 Å²	102	135.4 Å²	135.4	71%	0.713	83%	0.826	S	S	*	*			trans	-108.7	116.3	173	54.6	0	0	0	0	110
81	S	30.6	Very low	30.9	Very low	133 Å²	133	135 Å²	135	93%	0.93	82%	0.822	S	S	*	*			trans	-86.5	106.5	164.8	49.8	0	0	0	0	109.3
82	A	32.4	Very low	30.8	Very low	88 Å²	88	135.2 Å²	135.2	73%	0.727	82%	0.823	S	S	*	*			trans	-115.6	127.6	163.8	0	0	0	0	0	108
83	N	30.6	Very low	30.8	Very low	153 Å²	153	127.1 Å²	127.1	82%	0.818	82%	0.818	S	S	*	*			trans	-160.7	91.9	147.1	-123.1	11.4	0	0	0	110.3
84	D	31.2	Very low	30.6	Very low	170 Å²	170	126.9 Å²	126.9	91%	0.909	82%	0.822	S	S	*	*			trans	-110.5	120.3	151.9	-91.2	-35.1	0	0	0	106.8
85	T	31.5	Very low	30.6	Very low	131 Å²	131	125.4 Å²	125.4	80%	0.804	82%	0.821	S	S	*	*			trans	-127.1	132.1	162.5	26.2	0	0	0	0	109.2
86	A	30.7	Very low	30.4	Very low	99 Å²	99	131.2 Å²	131.2	82%	0.818	83%	0.827	S	S	*	*			trans	-91.1	166	-164.2	0	0	0	0	0	114.4
87	A	28.4	Very low	30.2	Very low	110 Å²	110	131.6 Å²	131.6	91%	0.909	83%	0.829	S	S	*	*			trans	75.2	126.2	140.8	0	0	0	0	0	121.1
88	G	27.3	Very low	30.7	Very low	77 Å²	77	129.4 Å²	129.4	79%	0.794	83%	0.825	S	S	*	*			trans	-174.5	91.4	163.3	0	0	0	0	0	115.4
89	A	29.2	Very low	30.5	Very low	108 Å²	108	128.7 Å²	128.7	89%	0.893	83%	0.83	S	S	*	*			trans	52.2	126.8	145.2	0	0	0	0	0	123.3
90	A	30.6	Very low	30.4	Very low	92 Å²	92	125 Å²	125	76%	0.76	83%	0.825	S	S	*	*			trans	-80.9	163.1	151.1	0	0	0	0	0	110.7
91	P	38	Very low	30.4	Very low	120 Å²	120	125.4 Å²	125.4	78%	0.779	83%	0.827	S	S	*	*				-151.9	157.1	87.9	36.1	-16.1	0	0	0	118.1
92	R	28.3	Very low	30.3	Very low	255 Å²	255	124.2 Å²	124.2	96%	0.962	82%	0.819	S	S	*	*			trans	21.2	129.5	144.8	-65.6	-179.8	168.6	167.4	-2.7	121.3
93	G	27.8	Very low	30.2	Very low	81 Å²	81	125.7 Å²	125.7	84%	0.835	82%	0.824	S	S	*	*			trans	176.5	106.5	150.2	0	0	0	0	0	113.9
94	A	28.9	Very low	30.2	Very low	98 Å²	98	123.1 Å²	123.1	81%	0.81	82%	0.824	S	S	*	*			trans	-100.5	149.4	159	0	0	0	0	0	108.2
95	P	34.2	Very low	30.1	Very low	120 Å²	120	124 Å²	124	78%	0.779	82%	0.823	S	S	*	*				-150.7	150.3	104	34.5	-15.5	0	0	0	117.2
96	R	26.7	Very low	30	Very low	248 Å²	248	125.6 Å²	125.6	94%	0.936	83%	0.825	S	S	*	*			trans	32.8	133	139.3	-67.8	-179.7	175.6	179.4	-1.6	123.3
97	V	28.9	Very low	29.9	Very low	133 Å²	133	132.6 Å²	132.6	81%	0.806	83%	0.831	S	S	*	*			trans	-58.8	168.7	165.9	-139.8	0	0	0	0	114.5
98	P	38.5	Very low	29.9	Very low	118 Å²	118	131.9 Å²	131.9	77%	0.766	83%	0.825	S	S	*	*				-149	158.5	73.9	37.3	-16.7	0	0	0	118.6
99	A	27	Very low	29.9	Very low	97 Å²	97	137.6 Å²	137.6	80%	0.802	83%	0.833	S	S	*	*			trans	53.5	144.7	147.2	0	0	0	0	0	120
100	A	26.9	Very low	30	Very low	93 Å²	93	137.3 Å²	137.3	77%	0.769	83%	0.831	S	S	*	*			cis	-151.7	173.9	15.6	0	0	0	0	0	106.1
101	S	31.5	Very low	29.9	Very low	109 Å²	109	144.6 Å²	144.6	76%	0.762	84%	0.839	S	S	*	*			cis	-165.9	154.5	31.7	37.4	0	0	0	0	109.5
102	S	27.1	Very low	29.5	Very low	108 Å²	108	147.9 Å²	147.9	76%	0.755	84%	0.844	S	S	*	*			trans	-37.4	133.1	171.5	49.4	0	0	0	0	118
103	S	30.2	Very low	29.5	Very low	120 Å²	120	144.7 Å²	144.7	84%	0.839	84%	0.84	S	S	*	*				-170.4	140.1	118.6	29	0	0	0	0	112.3
104	A	31.9	Very low	29.7	Very low	99 Å²	99	146.5 Å²	146.5	82%	0.818	84%	0.837	S	S	*	*			trans	76.5	70.2	162.7	0	0	0	0	0	118.5
105	Q	28.5	Very low	29.7	Very low	189 Å²	189	151.1 Å²	151.1	88%	0.883	84%	0.842	S	S	*	*			trans	-52.9	129.1	131.3	-70.9	163.6	-46.2	0	0	108.9
106	L	28.8	Very low	29.5	Very low	164 Å²	164	150.4 Å²	150.4	86%	0.859	85%	0.846	S	S	*	*			trans	-174	120.3	136.6	-98	159	0	0	0	109.5
107	R	30	Very low	29.5	Very low	245 Å²	245	142.3 Å²	142.3	93%	0.925	84%	0.84	S	S	*	*			trans	87.3	73.4	169.8	-55.3	-178.6	-175.6	175.1	2.1	117.5
108	A	28	Very low	29.6	Very low	96 Å²	96	141.5 Å²	141.5	79%	0.793	84%	0.84	S	S	*	*			trans	-138.4	99.2	149.1	0	0	0	0	0	108.3
109	M	27.6	Very low	29.2	Very low	197 Å²	197	140 Å²	140	97%	0.97	84%	0.837	S	S	*	*			trans	-173.7	83.7	148.3	-77.8	-139	178	0	0	109
110	A	30.6	Very low	29.5	Very low	102 Å²	102	141 Å²	141	84%	0.843	84%	0.836	S	S	*	*	S	Bend	trans	-144.2	83.6	154.5	0	0	0	0	0	108.7
111	R	29.1	Very low	29.8	Very low	245 Å²	245	140.8 Å²	140.8	93%	0.925	83%	0.834	S	S	*	*			trans	41.9	112.5	146.7	-75.2	-178	167.8	-162.2	-3.7	120.3
112	Q	28.2	Very low	29.8	Very low	188 Å²	188	142 Å²	142	88%	0.879	83%	0.832	S	S	*	*			trans	-36.7	135.9	147.6	-67	158.6	-41.8	0	0	115
113	Q	28.3	Very low	30.7	Very low	189 Å²	189	146.2 Å²	146.2	88%	0.883	83%	0.831	S	S	*	*				-171.7	158.5	114.8	-100.9	-175.4	-23.3	0	0	111.3
114	P	33	Very low	31	Very low	119 Å²	119	147.6 Å²	147.6	77%	0.773	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-100	137.6	-136.9	36.3	-30.4	0	0	0	113.8
115	Q	29.5	Very low	31.3	Very low	195 Å²	195	149.5 Å²	149.5	91%	0.911	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-89.7	128.1	163.2	-86.1	-177.2	-21.1	0	0	109.8	G117	Q115-G117 PolarHBondContact O-N 2.99Å
116	A	28.7	Very low	32	Very low	104 Å²	104	145.1 Å²	145.1	86%	0.86	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-52.3	121.1	172.3	0	0	0	0	0	110.1	S118	A116-S118 PolarHBondContact O-N 3.08Å
117	G	26.3	Very low	32.5	Very low	79 Å²	79	142.5 Å²	142.5	81%	0.814	79%	0.792	S	S	*	*			trans	-69.4	113.5	179.8	0	0	0	0	0	111.3	Q115	Q115-G117 PolarHBondContact O-N 2.99Å
118	S	30.9	Very low	33.1	Very low	115 Å²	115	135 Å²	135	80%	0.804	77%	0.773	S	S	*	*			trans	-76.4	114.3	144.7	54.9	0	0	0	0	107	A116	A116-S118 PolarHBondContact O-N 3.08Å
119	A	30.5	Very low	33.8	Very low	87 Å²	87	132.3 Å²	132.3	72%	0.719	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-51.8	141.9	176.9	0	0	0	0	0	111.2	A121	A119-A121 PolarHBondContact O-N 3.27Å
120	P	33.7	Very low	34.5	Very low	118 Å²	118	124.8 Å²	124.8	77%	0.766	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-65.5	122.9	168.9	28	-29.4	0	0	0	107.3	N122	P120-N122 PolarHBondContact O-N 3.12Å
121	A	34	Very low	35.6	Very low	88 Å²	88	123.2 Å²	123.2	73%	0.727	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-54.4	127.6	167.5	0	0	0	0	0	108	A119 R123	A119-A121 PolarHBondContact O-N 3.27Å; A121-R123 PolarHBondContact O-N 3.46Å
122	N	32	Very low	36.8	Very low	136 Å²	136	112.6 Å²	112.6	73%	0.727	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-51.2	117.6	172.7	-88.8	-21.4	0	0	0	108.3	P120 E124	P120-N122 PolarHBondContact O-N 3.12Å; N122-E124 PolarHBondContact O-N 3.07Å
123	R	44.5	Very low	38.2	Very low	195 Å²	195	109.6 Å²	109.6	74%	0.736	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.8	26.3	-170.6	-128.5	178.1	-174.4	173.5	1.2	111.7	A121	A121-R123 PolarHBondContact O-N 3.46Å
124	E	36.4	Very low	39.6	Very low	149 Å²	149	102.4 Å²	102.4	70%	0.696	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.5	-15.7	-179.1	-114.7	85.9	-147.3	0	0	112.6	N122	N122-E124 PolarHBondContact O-N 3.07Å
125	D	38.8	Very low	40.4	Very low	140 Å²	140	102.1 Å²	102.1	75%	0.749	61%	0.606	S	S	*	*			trans	-100.6	12.5	-171.2	-64.3	-29.2	0	0	0	114.8	M127	D125-M127 PolarHBondContact O-N 2.77Å
126	T	43.1	Very low	41.3	Very low	97 Å²	97	102.7 Å²	102.7	60%	0.595	60%	0.602	S	S	*	*			trans	-87.1	109	177.4	-44.9	0	0	0	0	110.2	D130	T126-D130 HydrophobicContact CG2-CB 4.17Å
127	M	39.7	Very low	42.4	Very low	108 Å²	108	99.9 Å²	99.9	53%	0.532	57%	0.57	S	S	.	*			trans	-68.7	143.9	176.1	-60.7	-65.6	-91.4	0	0	109.5	D125 G129 D130	D125-M127 PolarHBondContact O-N 2.77Å; M127-G129 PolarHBondContact O-N 2.7Å; M127-G129 VanDerWaalsContact O-N 3.08Å; M127-D130 WeakPolarHBondContact O-CB 3.32Å; M127-D130 PolarHBondContact O-N 2.54Å
128	V	41.6	Very low	43.2	Very low	87 Å²	87	105.7 Å²	105.7	53%	0.527	57%	0.567	S	S	.	*	G	3₁₀ helix	trans	-60.7	-20.7	179.2	178.7	0	0	0	0	112.5	D130 D131 T150	V128-D130 PolarHBondContact O-N 3.27Å; V128-D131 PolarHBondContact O-N 3.08Å; V128-T150 HydrophobicContact CB-CG2 4.44Å
129	G	43.2	Very low	43.9	Very low	41 Å²	41	103.8 Å²	103.8	42%	0.423	55%	0.546	S	S	.	.	G	3₁₀ helix	trans	-69.8	-14.8	171.1	0	0	0	0	0	114.8	M127 T300	M127-G129 PolarHBondContact O-N 2.7Å; M127-G129 VanDerWaalsContact O-N 3.08Å; G129-T300 PolarHBondContact O-OG1 2.56Å
130	D	42.9	Very low	44.6	Very low	39 Å²	39	101 Å²	101	21%	0.209	53%	0.525	C	S	.	.	G	3₁₀ helix	trans	-95.8	4.9	179.7	-58.1	-28.5	0	0	0	112.5	T126 M127 V128 P132 T300 S301	T126-D130 HydrophobicContact CG2-CB 4.17Å; M127-D130 WeakPolarHBondContact O-CB 3.32Å; M127-D130 PolarHBondContact O-N 2.54Å; V128-D130 PolarHBondContact O-N 3.27Å; D130-P132 WeakPolarHBondContact O-CD 3.44Å; D130-T300 VanDerWaalsContact OD1-O 3.12Å; D130-S301 VanDerWaalsContact O-CB 3.31Å; D130-S301 WeakPolarHBondContact O-CB 3.47Å
131	D	54.3	Low	45.1	Very low	68 Å²	68	101 Å²	101	36%	0.364	51%	0.51	S	S	.	.			trans	-75.9	112.1	175.5	-176.1	3.3	0	0	0	110.7	V128 Y133 N134	V128-D131 PolarHBondContact O-N 3.08Å; D131-Y133 PolarHBondContact O-N 2.64Å; D131-Y133 VanDerWaalsContact O-N 3.09Å; D131-Y133 WeakPolarHBondContact OD1-CB 3.3Å; D131-Y133 WeakPolarHBondContact OD1-CD2 3.16Å; D131-Y133 PolarHBondContact OD1-N 2.88Å; D131-N134 HydrophobicContact CB-CB 4.37Å; D131-N134 WeakPolarHBondContact O-CB 3.26Å; D131-N134 PolarHBondContact O-N 3.01Å; D131-N134 VanDerWaalsContact O-N 3.14Å
132	P	54.4	Low	45.4	Very low	22 Å²	22	100.2 Å²	100.2	14%	0.143	49%	0.494	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-15.4	176.6	26.4	-33.7	0	0	0	112.9	D130 R295 A298	D130-P132 WeakPolarHBondContact O-CD 3.44Å; P132-R295 HydrophobicContact CB-CB 4.43Å; P132-R295 WeakPolarHBondContact O-CB 3.04Å; P132-R295 VanDerWaalsContact O-CD 3.22Å; P132-R295 WeakPolarHBondContact O-CD 3.41Å; P132-R295 PolarHBondContact O-NE 3.09Å; P132-A298 HydrophobicContact CB-CB 4.06Å
133	Y	56.3	Low	45.9	Very low	126 Å²	126	98.5 Å²	98.5	49%	0.494	49%	0.491	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	0.3	178.7	-58.5	-67.1	0	0	0	114.4	D131 P135 R295	D131-Y133 PolarHBondContact O-N 2.64Å; D131-Y133 VanDerWaalsContact O-N 3.09Å; D131-Y133 WeakPolarHBondContact OD1-CB 3.3Å; D131-Y133 WeakPolarHBondContact OD1-CD2 3.16Å; D131-Y133 PolarHBondContact OD1-N 2.88Å; Y133-P135 WeakPolarHBondContact O-CD 3.3Å; Y133-R295 WeakPolarHBondContact CE1-O 3.37Å; Y133-R295 PolarHBondContact OH-O 3.45Å
134	N	57.5	Low	45.6	Very low	38 Å²	38	98.8 Å²	98.8	20%	0.203	49%	0.493	C	S	.	.			trans	-66.4	114.1	-177.4	-174.8	-7.3	0	0	0	111.5	D131 Y136 K137	D131-N134 HydrophobicContact CB-CB 4.37Å; D131-N134 WeakPolarHBondContact O-CB 3.26Å; D131-N134 PolarHBondContact O-N 3.01Å; D131-N134 VanDerWaalsContact O-N 3.14Å; N134-Y136 PolarHBondContact O-N 2.89Å; N134-Y136 PolarHBondContact OD1-N 3.28Å; N134-K137 PolarHBondContact O-N 2.7Å
135	P	50.7	Low	45.8	Very low	113 Å²	113	100.4 Å²	100.4	73%	0.734	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-12.9	-178.2	31.7	-35.2	0	0	0	113.2	Y133	Y133-P135 WeakPolarHBondContact O-CD 3.3Å
136	Y	48.3	Very low	45.9	Very low	207 Å²	207	102 Å²	102	81%	0.812	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	3.5	178.2	-58.9	-73.7	0	0	0	113.1	N134 R138	N134-Y136 PolarHBondContact O-N 2.89Å; N134-Y136 PolarHBondContact OD1-N 3.28Å; Y136-R138 PolarHBondContact O-N 3.12Å
137	K	51.6	Low	45.6	Very low	45 Å²	45	105.4 Å²	105.4	20%	0.196	51%	0.506	C	S	.	.			trans	-65.9	108.8	173.2	-163.2	-174.1	-178	-159.9	0	108.1	N134 E285	N134-K137 PolarHBondContact O-N 2.7Å; K137-E285 VanDerWaalsContact NZ-CD 3.34Å; K137-E285 IonicContact NZ-OE1 3.58Å; K137-E285 PolarHBondContact NZ-OE1 3.2Å; K137-E285 VanDerWaalsContact NZ-OE1 3.07Å; K137-E285 IonicContact NZ-OE2 3.98Å; K137-E285 PolarHBondContact NZ-OE2 2.9Å
138	R	42.2	Very low	45.3	Very low	200 Å²	200	107.7 Å²	107.7	76%	0.755	51%	0.513	S	S	*	.			trans	-80.3	128.7	177.5	-156.6	172.8	-171.6	-107	-1.6	108.5	Y136 G140	Y136-R138 PolarHBondContact O-N 3.12Å; R138-G140 PolarHBondContact O-N 3.15Å
139	H	46.9	Very low	45	Very low	76 Å²	76	110.6 Å²	110.6	35%	0.352	53%	0.525	S	S	.	.	S	Bend	trans	-83.2	93.1	172.2	-66.1	-58.3	0	0	0	108	E285 T287	H139-E285 IonicContact CE1-OE1 3.77Å; H139-E285 IonicContact ND1-OE1 2.66Å; H139-T287 PolarHBondContact NE2-O 3.43Å
140	G	44.5	Very low	44.9	Very low	28 Å²	28	112.8 Å²	112.8	29%	0.289	53%	0.531	S	S	.	.	S	Bend	trans	170.6	144.9	-179.3	0	0	0	0	0	111.1	R138 D142	R138-G140 PolarHBondContact O-N 3.15Å; G140-D142 PolarHBondContact O-N 2.96Å
141	Y	43.6	Very low	44.8	Very low	117 Å²	117	120 Å²	120	46%	0.459	56%	0.556	S	S	.	*			trans	-71.1	95.6	-179.5	-148.4	-96.9	0	0	0	109.5	P143 C250 H251 N252	Y141-P143 WeakPolarHBondContact O-CD 3.23Å; Y141-C250 VanDerWaalsContact CZ-O 3.24Å; Y141-C250 PolarHBondContact OH-O 2.83Å; Y141-H251 HydrophobicContact CE2-CB 4.16Å; Y141-H251 WeakPolarHBondContact OH-CA 3.49Å; Y141-N252 PolarHBondContact OH-ND2 2.97Å
142	D	41.1	Very low	44.2	Very low	73 Å²	73	124.9 Å²	124.9	39%	0.39	58%	0.577	S	S	.	*			trans	-111.3	98	172.7	-160.5	-30.9	0	0	0	110.1	G140 Y144 Y145	G140-D142 PolarHBondContact O-N 2.96Å; D142-Y144 PolarHBondContact O-N 3.1Å; D142-Y144 PolarHBondContact OD1-N 2.85Å; D142-Y145 WeakPolarHBondContact OD2-CD2 3.23Å
143	P	42.1	Very low	43.4	Very low	100 Å²	100	135.1 Å²	135.1	65%	0.649	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.9	-2.2	-179.6	27.8	-32.1	0	0	0	113.6	Y141	Y141-P143 WeakPolarHBondContact O-CD 3.23Å
144	Y	38.4	Very low	42.5	Very low	200 Å²	200	135 Å²	135	78%	0.784	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.7	-8.2	-174.6	-80.8	-82.7	0	0	0	115.6	D142 N146	D142-Y144 PolarHBondContact O-N 3.1Å; D142-Y144 PolarHBondContact OD1-N 2.85Å; Y144-N146 PolarHBondContact O-N 2.92Å
145	Y	41.3	Very low	41.8	Very low	184 Å²	184	143.2 Å²	143.2	72%	0.722	66%	0.655	S	S	*	*			trans	-98.3	72.5	177.7	-84.7	-81.4	0	0	0	113.1	D142	D142-Y145 WeakPolarHBondContact OD2-CD2 3.23Å
146	N	40	Very low	41.4	Very low	172 Å²	172	143.2 Å²	143.2	92%	0.92	66%	0.655	S	S	*	*			trans	-128.7	28.7	151.7	-95.9	-33.5	0	0	0	111.3	Y144	Y144-N146 PolarHBondContact O-N 2.92Å
147	Y	38.1	Very low	41.1	Very low	170 Å²	170	142.7 Å²	142.7	67%	0.667	66%	0.66	S	S	*	*			trans	-132.9	80.5	-177.4	-154.9	-124.9	0	0	0	109.8
148	F	32.3	Very low	40.5	Very low	156 Å²	156	146.9 Å²	146.9	68%	0.684	69%	0.69	S	S	*	*	S	Bend		152.9	129.5	127.8	-78.3	-64.7	0	0	0	113.4
149	D	36.2	Very low	40.2	Very low	147 Å²	147	145.5 Å²	145.5	79%	0.786	69%	0.692	S	S	*	*			trans	70.2	59.6	151.9	-98.6	-16.8	0	0	0	121.1
150	T	40.8	Very low	39.8	Very low	88 Å²	88	146.3 Å²	146.3	54%	0.54	70%	0.704	S	S	.	*			trans	-101.1	1.2	158.9	50.3	0	0	0	0	114.3	V128 H152	V128-T150 HydrophobicContact CB-CG2 4.44Å; T150-H152 PolarHBondContact O-N 3.27Å
151	Y	40.4	Very low	39.7	Very low	189 Å²	189	155 Å²	155	74%	0.741	73%	0.728	S	S	*	*	S	Bend	trans	-74.5	-17.2	-173.3	-89.4	-79.9	0	0	0	115.3
152	H	41.7	Very low	39.5	Very low	172 Å²	172	154.2 Å²	154.2	80%	0.796	74%	0.737	S	S	*	*			trans	-141.6	87.7	-177.8	-79.4	67	0	0	0	112.5	T150	T150-H152 PolarHBondContact O-N 3.27Å
153	R	37.7	Very low	39.6	Very low	236 Å²	236	154.7 Å²	154.7	89%	0.891	76%	0.759	S	S	*	*			trans	-124.9	125.2	149.8	-79.3	-164.6	179.3	-167.4	2.4	110.3	R155	R153-R155 PolarHBondContact O-N 3.15Å
154	P	37	Very low	39.5	Very low	123 Å²	123	157.9 Å²	157.9	80%	0.799	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-63	127.1	172.9	-15.8	28.4	0	0	0	110.2	P156	P154-P156 WeakPolarHBondContact O-CD 3.3Å
155	R	43.7	Very low	39.9	Very low	211 Å²	211	150.6 Å²	150.6	80%	0.796	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-59	125.7	177.7	-67.3	175.1	175	168.3	-1.3	111.5	R153	R153-R155 PolarHBondContact O-N 3.15Å
156	P	41.5	Very low	40	Very low	113 Å²	113	145 Å²	145	73%	0.734	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-76.3	121.8	143.7	-1.6	20	0	0	0	107	P154 T158	P154-P156 WeakPolarHBondContact O-CD 3.3Å; P156-T158 VanDerWaalsContact C-N 3.32Å; P156-T158 PolarHBondContact O-N 2.7Å; P156-T158 PolarHBondContact O-OG1 3.17Å
157	Q	41.9	Very low	40.2	Very low	196 Å²	196	146.5 Å²	146.5	92%	0.916	72%	0.723	S	S	*	*			trans	-51.3	93.6	171.3	-83.6	175.5	-22.3	0	0	110.4	Q159	Q157-Q159 PolarHBondContact O-N 3.16Å
158	T	39.6	Very low	40.5	Very low	133 Å²	133	148.2 Å²	148.2	82%	0.816	73%	0.73	S	S	*	*			trans	-83.7	108.7	158.4	5.5	0	0	0	0	105.4	P156	P156-T158 VanDerWaalsContact C-N 3.32Å; P156-T158 PolarHBondContact O-N 2.7Å; P156-T158 PolarHBondContact O-OG1 3.17Å
159	Q	35.2	Very low	41.5	Very low	171 Å²	171	143 Å²	143	80%	0.799	71%	0.708	S	S	*	*			trans	-45.9	132.7	168.7	-78.2	175.5	-23.6	0	0	108.6	Q157 R161	Q157-Q159 PolarHBondContact O-N 3.16Å; Q159-R161 VanDerWaalsContact C-N 3.31Å; Q159-R161 PolarHBondContact O-N 2.86Å
160	P	39.9	Very low	42.1	Very low	93 Å²	93	143.9 Å²	143.9	60%	0.604	71%	0.707	S	S	*	*			trans	-62.1	101.5	170.9	25.1	-30.2	0	0	0	106.4	P162	P160-P162 VanDerWaalsContact O-CD 3.25Å; P160-P162 WeakPolarHBondContact O-CD 3.33Å; P160-P162 VanDerWaalsContact O-N 3.12Å
161	R	41.7	Very low	43.2	Very low	212 Å²	212	147.6 Å²	147.6	80%	0.8	72%	0.723	S	S	*	*			trans	-58.3	119.8	169.3	-76.5	-174.5	170.1	-173.4	-2.2	105.4	Q159 G163	Q159-R161 VanDerWaalsContact C-N 3.31Å; Q159-R161 PolarHBondContact O-N 2.86Å; R161-G163 PolarHBondContact O-N 3.14Å
162	P	39.7	Very low	45.1	Very low	99 Å²	99	139.4 Å²	139.4	64%	0.643	70%	0.697	S	S	*	*			trans	-57.6	114.9	178.3	-21.6	32.3	0	0	0	107.5	P160 Y164	P160-P162 VanDerWaalsContact O-CD 3.25Å; P160-P162 WeakPolarHBondContact O-CD 3.33Å; P160-P162 VanDerWaalsContact O-N 3.12Å; P162-Y164 HydrophobicContact CB-CD2 3.85Å; P162-Y164 HydrophobicContact CB-CE2 3.68Å; P162-Y164 HydrophobicContact CG-CE2 4.47Å; P162-Y164 PolarHBondContact O-N 2.81Å
163	G	42.1	Very low	47.6	Very low	83 Å²	83	134.7 Å²	134.7	86%	0.856	68%	0.677	S	S	*	*			trans	-63.7	77.4	168.9	0	0	0	0	0	108.7	R161 G165	R161-G163 PolarHBondContact O-N 3.14Å; G163-G165 PolarHBondContact O-N 3.45Å
164	Y	40	Very low	50.3	Low	168 Å²	168	123.7 Å²	123.7	66%	0.659	64%	0.636	S	S	*	*			trans	-73.1	106.7	152.2	-71.6	-81.4	0	0	0	104.7	P162 T166	P162-Y164 HydrophobicContact CB-CD2 3.85Å; P162-Y164 HydrophobicContact CB-CE2 3.68Å; P162-Y164 HydrophobicContact CG-CE2 4.47Å; P162-Y164 PolarHBondContact O-N 2.81Å; Y164-T166 PolarHBondContact O-N 2.78Å
165	G	46.4	Very low	53.1	Low	47 Å²	47	118.5 Å²	118.5	49%	0.485	60%	0.602	S	S	.	*			trans	-42.4	118.7	146.2	0	0	0	0	0	105.5	G163 R167	G163-G165 PolarHBondContact O-N 3.45Å; G165-R167 PolarHBondContact O-N 2.79Å
166	T	43.8	Very low	55.5	Low	67 Å²	67	108.4 Å²	108.4	41%	0.411	56%	0.564	S	S	.	*			trans	-54.5	135.1	-169.3	83.6	0	0	0	0	107	Y164 Y168 H169	Y164-T166 PolarHBondContact O-N 2.78Å; T166-Y168 PolarHBondContact O-N 2.98Å; T166-H169 PolarHBondContact O-CD2 3.04Å; T166-H169 PolarHBondContact O-N 3.38Å; T166-H169 PolarHBondContact OG1-CD2 3.16Å; T166-H169 PolarHBondContact OG1-CE1 2.87Å; T166-H169 PolarHBondContact OG1-NE2 3.03Å
167	R	43.9	Very low	58.2	Low	203 Å²	203	103.9 Å²	103.9	77%	0.766	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-1.6	-179	-74.1	-178.5	175.9	-172.7	-1.8	113	G165	G165-R167 PolarHBondContact O-N 2.79Å
168	Y	46.2	Very low	60.7	Low	205 Å²	205	94.5 Å²	94.5	80%	0.804	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-13.7	170.6	-69.3	-80	0	0	0	114.2	T166	T166-Y168 PolarHBondContact O-N 2.98Å
169	H	51.5	Low	63.4	Low	47 Å²	47	90.2 Å²	90.2	22%	0.218	46%	0.462	C	S	.	.			trans	-100.5	2.5	-170.6	-55.5	-49.5	0	0	0	115.5	T166 N171 T233	T166-H169 PolarHBondContact O-CD2 3.04Å; T166-H169 PolarHBondContact O-N 3.38Å; T166-H169 PolarHBondContact OG1-CD2 3.16Å; T166-H169 PolarHBondContact OG1-CE1 2.87Å; T166-H169 PolarHBondContact OG1-NE2 3.03Å; H169-N171 VanDerWaalsContact C-N 3.28Å; H169-N171 PolarHBondContact O-N 2.95Å; H169-T233 PolarHBondContact ND1-O 3.42Å
170	Q	50.3	Low	66.3	Low	165 Å²	165	83.3 Å²	83.3	77%	0.771	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-19.4	-175.5	-75.4	-176.7	-10.9	0	0	114.1
171	N	62.3	Low	68.9	Low	166 Å²	166	85.5 Å²	85.5	89%	0.888	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.8	15.1	179.3	-58.7	-37	0	0	0	113.1	H169	H169-N171 VanDerWaalsContact C-N 3.28Å; H169-N171 PolarHBondContact O-N 2.95Å
172	G	81.9	Confident	71.4	Confident	18 Å²	18	78.8 Å²	78.8	19%	0.186	40%	0.404	C	S	.	.			trans	-88	162	180	0	0	0	0	0	112.1	T233 A234	G172-T233 VanDerWaalsContact CA-OG1 3.22Å; G172-T233 WeakPolarHBondContact CA-OG1 3.43Å; G172-A234 WeakPolarHBondContact O-CB 3.4Å
173	L	92.5	Very high	74.1	Confident	72 Å²	72	74.1 Å²	74.1	38%	0.377	37%	0.374	S	S	.	.			trans	-118.2	148.3	166.8	-68.1	174.7	0	0	0	109.3	T233 A234 P346	L173-T233 PolarHBondContact O-N 2.74Å; L173-A234 PolarHBondContact O-N 2.78Å; L173-P346 HydrophobicContact CD2-CB 4.02Å; L173-P346 HydrophobicContact CD2-CG 4.1Å
174	P	94.7	Very high	76.6	Confident	6 Å²	6	73.7 Å²	73.7	4%	0.039	35%	0.35	C	S	.	.			trans	-63.9	164	168.4	29.2	-34.9	0	0	0	111	A234 F236 V345 P346 E347 S348	P174-A234 WeakPolarHBondContact CA-O 3.1Å; P174-F236 HydrophobicContact CB-CB 3.76Å; P174-F236 HydrophobicContact CB-CD2 3.98Å; P174-F236 HydrophobicContact CB-CG 4.39Å; P174-F236 HydrophobicContact CG-CB 4.24Å; P174-F236 HydrophobicContact CG-CD2 3.85Å; P174-V345 HydrophobicContact CG-CG1 4.35Å; P174-P346 WeakPolarHBondContact CD-O 3.47Å; P174-P346 VanDerWaalsContact CG-O 3.27Å; P174-P346 WeakPolarHBondContact CG-O 3.45Å; P174-E347 HydrophobicContact CG-CG 4.4Å; P174-E347 CarbonylContact O-C 3.56Å; P174-E347 WeakPolarHBondContact O-CA 3.49Å; P174-E347 WeakPolarHBondContact O-CB 3.21Å; P174-S348 PolarHBondContact O-N 3.08Å
175	D	95.9	Very high	79.2	Confident	13 Å²	13	70.2 Å²	70.2	7%	0.07	34%	0.341	C	S	.	.			trans	-148.8	106	174.2	-178.2	0.6	0	0	0	108.2	N230 Q231 S348 N352	D175-N230 PolarHBondContact N-OD1 2.74Å; D175-N230 VanDerWaalsContact N-OD1 3.12Å; D175-N230 CarbonylContact O-C 3.57Å; D175-N230 WeakPolarHBondContact O-CA 3.45Å; D175-Q231 HydrophobicContact CB-CG 3.75Å; D175-Q231 VanDerWaalsContact CG-CG 3.48Å; D175-Q231 WeakPolarHBondContact O-CG 3.46Å; D175-Q231 PolarHBondContact O-N 3.08Å; D175-Q231 VanDerWaalsContact OD2-CG 3.27Å; D175-Q231 WeakPolarHBondContact OD2-CG 3.45Å; D175-Q231 PolarHBondContact OD2-NE2 3.38Å; D175-S348 WeakPolarHBondContact CB-OG 3.38Å; D175-N352 PolarHBondContact OD1-ND2 2.8Å; D175-N352 PolarHBondContact OD1-OD1 3.43Å; D175-N352 PolarHBondContact OD2-ND2 3.01Å
176	L	95.3	Very high	81.5	Confident	0 Å²	0	69.4 Å²	69.4	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	121.7	-173.9	-61.8	-170.7	0	0	0	110.9	V228 K229 N230 F236 F260 L306 V339 E347 N353	L176-V228 HydrophobicContact CB-CG1 3.9Å; L176-V228 HydrophobicContact CD1-CG1 4.46Å; L176-V228 HydrophobicContact CD2-CG1 4.11Å; L176-V228 HydrophobicContact CG-CG1 4.4Å; L176-K229 CarbonylContact C-O 3.54Å; L176-K229 VanDerWaalsContact CA-O 3.31Å; L176-K229 WeakPolarHBondContact CA-O 3.28Å; L176-N230 HydrophobicContact CD2-CB 4.07Å; L176-F236 HydrophobicContact CD1-CD1 4.27Å; L176-F236 HydrophobicContact CD1-CD2 3.53Å; L176-F236 HydrophobicContact CD1-CE1 4.12Å; L176-F236 HydrophobicContact CD1-CE2 3.34Å; L176-F236 HydrophobicContact CD1-CG 4Å; L176-F236 HydrophobicContact CD1-CZ 3.67Å; L176-F236 HydrophobicContact CD2-CB 4.09Å; L176-F236 HydrophobicContact CD2-CD2 3.97Å; L176-F236 HydrophobicContact CD2-CG 4.02Å; L176-F236 HydrophobicContact CG-CD2 3.76Å; L176-F236 HydrophobicContact CG-CE2 4Å; L176-F236 HydrophobicContact CG-CG 4.28Å; L176-F260 HydrophobicContact CD1-CE2 3.73Å; L176-F260 HydrophobicContact CD1-CZ 4.32Å; L176-L306 HydrophobicContact CD2-CD2 3.82Å; L176-V339 HydrophobicContact CB-CG1 3.84Å; L176-V339 HydrophobicContact CD1-CG1 3.52Å; L176-V339 HydrophobicContact CG-CG1 4.36Å; L176-E347 WeakPolarHBondContact CA-OE2 3.45Å; L176-E347 WeakPolarHBondContact CB-OE2 3.33Å; L176-E347 WeakPolarHBondContact CG-OE2 3.3Å; L176-E347 PolarHBondContact N-OE2 3.27Å; L176-N353 PolarHBondContact O-OD1 2.75Å
177	V	96.6	Very high	84	Confident	17 Å²	17	67.3 Å²	67.3	10%	0.103	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	114.1	177.4	-179.1	0	0	0	0	109.9	V228 K229 Q231 N352 L373	V177-V228 WeakPolarHBondContact O-CA 3.35Å; V177-K229 PolarHBondContact N-O 3.45Å; V177-K229 PolarHBondContact O-N 3.45Å; V177-Q231 HydrophobicContact CG2-CG 3.85Å; V177-N352 HydrophobicContact CG2-CB 4.2Å; V177-N352 WeakPolarHBondContact CG2-ND2 3.23Å; V177-L373 HydrophobicContact CG1-CD1 3.54Å; V177-L373 HydrophobicContact CG1-CD2 4.16Å; V177-L373 HydrophobicContact CG1-CG 4.49Å
178	P	95.9	Very high	86.4	Confident	0 Å²	0	62 Å²	62	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	142.4	168.7	27.9	-30.7	0	0	0	110.2	P180 R227 V339 N352 A355 L373	P178-P180 WeakPolarHBondContact O-CD 3.36Å; P178-R227 CarbonylContact C-O 3.51Å; P178-R227 WeakPolarHBondContact CA-O 3.46Å; P178-V339 HydrophobicContact CB-CG2 3.83Å; P178-V339 HydrophobicContact CG-CG2 3.97Å; P178-N352 VanDerWaalsContact CD-O 3.31Å; P178-N352 WeakPolarHBondContact CD-O 3.36Å; P178-A355 HydrophobicContact CB-CB 4.21Å; P178-A355 HydrophobicContact CG-CB 3.95Å; P178-L373 HydrophobicContact CG-CD2 3.85Å; P178-L373 WeakPolarHBondContact O-CD2 3.44Å
179	D	95.2	Very high	88.9	Confident	42 Å²	42	53.5 Å²	53.5	23%	0.225	27%	0.268	C	S	.	.			trans	-89.9	106	177.2	-169.3	-22.4	0	0	0	110.2	Y181 Y182 R227	D179-Y181 PolarHBondContact O-N 2.87Å; D179-Y181 VanDerWaalsContact OD1-CB 3.22Å; D179-Y181 WeakPolarHBondContact OD1-CB 3.4Å; D179-Y181 PolarHBondContact OD1-N 2.86Å; D179-Y182 HydrophobicContact CB-CD2 4.26Å; D179-Y182 PolarHBondContact O-N 2.91Å; D179-Y182 VanDerWaalsContact OD2-CD2 3.3Å; D179-Y182 WeakPolarHBondContact OD2-CD2 3.48Å; D179-R227 HydrophobicContact CB-CB 4.08Å; D179-R227 HydrophobicContact CB-CG 4.39Å; D179-R227 PolarHBondContact N-O 2.86Å
180	P	95.5	Very high	91	Very high	26 Å²	26	54.2 Å²	54.2	17%	0.169	27%	0.272	C	S	.	.	H	α-helix	trans	-65.1	-24.4	-179.8	26.5	-34.2	0	0	0	112.7	P178 I183 Q184 C371 L373	P178-P180 WeakPolarHBondContact O-CD 3.36Å; P180-I183 PolarHBondContact O-N 2.7Å; P180-Q184 PolarHBondContact O-N 3.42Å; P180-Q184 VanDerWaalsContact O-N 3.17Å; P180-C371 HydrophobicContact CB-CB 3.69Å; P180-C371 VanDerWaalsContact O-CB 3.31Å; P180-C371 WeakPolarHBondContact O-CB 3.22Å; P180-L373 HydrophobicContact CG-CG 4.4Å
181	Y	95.4	Very high	93.1	Very high	139 Å²	139	52.4 Å²	52.4	55%	0.545	26%	0.258	S	S	.	.	H	α-helix	trans	-66.3	-46.1	-177.7	176.3	-102.6	0	0	0	111.1	D179 I183 Q184 I185	D179-Y181 PolarHBondContact O-N 2.87Å; D179-Y181 VanDerWaalsContact OD1-CB 3.22Å; D179-Y181 WeakPolarHBondContact OD1-CB 3.4Å; D179-Y181 PolarHBondContact OD1-N 2.86Å; Y181-I183 VanDerWaalsContact C-N 3.32Å; Y181-I183 PolarHBondContact O-N 2.89Å; Y181-Q184 WeakPolarHBondContact O-CB 3.27Å; Y181-Q184 PolarHBondContact O-N 3.37Å; Y181-Q184 VanDerWaalsContact O-N 3.09Å; Y181-I185 HydrophobicContact CD1-CD1 4.09Å; Y181-I185 HydrophobicContact CD1-CG1 4.3Å; Y181-I185 HydrophobicContact CD2-CG2 4.19Å; Y181-I185 HydrophobicContact CE1-CD1 3.44Å; Y181-I185 VanDerWaalsContact CE1-CD1 3.44Å; Y181-I185 HydrophobicContact CE1-CG1 4.05Å; Y181-I185 HydrophobicContact CE1-CG2 4.27Å; Y181-I185 HydrophobicContact CE2-CG2 3.73Å; Y181-I185 WeakPolarHBondContact O-CG1 3.24Å; Y181-I185 PolarHBondContact O-N 2.57Å
182	Y	94.6	Very high	94.7	Very high	71 Å²	71	44.7 Å²	44.7	28%	0.278	22%	0.217	S	C	.	.	H	α-helix	trans	-64.3	-36	179.4	-86	-89.7	0	0	0	112.9	D179 Q184 A186 T225 R227	D179-Y182 HydrophobicContact CB-CD2 4.26Å; D179-Y182 PolarHBondContact O-N 2.91Å; D179-Y182 VanDerWaalsContact OD2-CD2 3.3Å; D179-Y182 WeakPolarHBondContact OD2-CD2 3.48Å; Y182-Q184 VanDerWaalsContact C-N 3.29Å; Y182-Q184 PolarHBondContact O-N 2.85Å; Y182-A186 WeakPolarHBondContact O-CB 3.29Å; Y182-A186 PolarHBondContact O-N 3.18Å; Y182-T225 HydrophobicContact CD1-CG2 3.97Å; Y182-T225 HydrophobicContact CG-CG2 4.46Å; Y182-R227 HydrophobicContact CD2-CB 4.24Å; Y182-R227 HydrophobicContact CG-CB 4.26Å; Y182-R227 PolarHBondContact OH-NH1 3.07Å
183	I	95.5	Very high	95.4	Very high	1 Å²	1	45 Å²	45	1%	0.005	22%	0.216	C	C	.	.	H	α-helix	trans	-61.6	-42.3	173.7	-59.5	171.6	0	0	0	109.9	P180 Y181 S187 F224 L335 V337 A355	P180-I183 PolarHBondContact O-N 2.7Å; Y181-I183 VanDerWaalsContact C-N 3.32Å; Y181-I183 PolarHBondContact O-N 2.89Å; I183-S187 WeakPolarHBondContact O-CB 3.45Å; I183-S187 PolarHBondContact O-OG 3.02Å; I183-F224 HydrophobicContact CG1-CD2 4.5Å; I183-F224 HydrophobicContact CG2-CB 4.39Å; I183-F224 HydrophobicContact CG2-CD2 4.44Å; I183-L335 HydrophobicContact CG2-CD2 3.68Å; I183-V337 HydrophobicContact CD1-CB 4.25Å; I183-V337 HydrophobicContact CD1-CG2 4.06Å; I183-A355 HydrophobicContact CD1-CB 3.95Å
184	Q	95.7	Very high	95.5	Very high	74 Å²	74	42.2 Å²	42.2	35%	0.346	20%	0.201	S	C	.	.	H	α-helix	trans	-68	-47.5	-178.6	-159.3	171.2	-71.1	0	0	112.7	P180 Y181 Y182 S187 I368 C371	P180-Q184 PolarHBondContact O-N 3.42Å; P180-Q184 VanDerWaalsContact O-N 3.17Å; Y181-Q184 WeakPolarHBondContact O-CB 3.27Å; Y181-Q184 PolarHBondContact O-N 3.37Å; Y181-Q184 VanDerWaalsContact O-N 3.09Å; Y182-Q184 VanDerWaalsContact C-N 3.29Å; Y182-Q184 PolarHBondContact O-N 2.85Å; Q184-S187 PolarHBondContact O-OG 3.27Å; Q184-I368 HydrophobicContact CG-CG2 4.36Å; Q184-I368 WeakPolarHBondContact CG-O 3.09Å; Q184-C371 HydrophobicContact CB-CB 4.17Å; Q184-C371 VanDerWaalsContact CB-SG 3.56Å; Q184-C371 VanDerWaalsContact OE1-N 3.07Å
185	I	95.1	Very high	95.4	Very high	95 Å²	95	47.5 Å²	47.5	49%	0.487	22%	0.221	S	C	.	.	H	α-helix	trans	-85.1	-23.4	-171.3	64.3	155	0	0	0	114.1	Y181	Y181-I185 HydrophobicContact CD1-CD1 4.09Å; Y181-I185 HydrophobicContact CD1-CG1 4.3Å; Y181-I185 HydrophobicContact CD2-CG2 4.19Å; Y181-I185 HydrophobicContact CE1-CD1 3.44Å; Y181-I185 VanDerWaalsContact CE1-CD1 3.44Å; Y181-I185 HydrophobicContact CE1-CG1 4.05Å; Y181-I185 HydrophobicContact CE1-CG2 4.27Å; Y181-I185 HydrophobicContact CE2-CG2 3.73Å; Y181-I185 WeakPolarHBondContact O-CG1 3.24Å; Y181-I185 PolarHBondContact O-N 2.57Å
186	A	94.4	Very high	95.2	Very high	30 Å²	30	51.2 Å²	51.2	25%	0.248	24%	0.241	C	C	.	.	S	Bend	trans	-121.2	51.7	-173.4	0	0	0	0	0	110.7	Y182 F224 T225	Y182-A186 WeakPolarHBondContact O-CB 3.29Å; Y182-A186 PolarHBondContact O-N 3.18Å; A186-F224 CarbonylContact O-C 3.48Å; A186-F224 VanDerWaalsContact O-CA 3.28Å; A186-F224 WeakPolarHBondContact O-CA 3.31Å; A186-T225 WeakPolarHBondContact CB-OG1 3.18Å; A186-T225 PolarHBondContact O-N 3.45Å
187	S	94.9	Very high	95.1	Very high	24 Å²	24	51.3 Å²	51.3	17%	0.168	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	142.4	173.9	55.7	0	0	0	0	111.6	I183 Q184 R223 I368	I183-S187 WeakPolarHBondContact O-CB 3.45Å; I183-S187 PolarHBondContact O-OG 3.02Å; Q184-S187 PolarHBondContact O-OG 3.27Å; S187-R223 CarbonylContact C-O 3.59Å; S187-R223 WeakPolarHBondContact CA-O 3.39Å; S187-R223 WeakPolarHBondContact CB-O 3.27Å; S187-I368 WeakPolarHBondContact OG-CD1 3.42Å; S187-I368 WeakPolarHBondContact OG-CG1 3.09Å
188	Y	95.8	Very high	94.7	Very high	90 Å²	90	57 Å²	57	35%	0.353	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	160.9	178.3	59.8	-88.1	0	0	0	111.3	Q190 R223 A316	Y188-Q190 HydrophobicContact CD2-CB 4.31Å; Y188-Q190 HydrophobicContact CE2-CB 4.08Å; Y188-R223 HydrophobicContact CD2-CB 4.39Å; Y188-R223 HydrophobicContact CE1-CB 4.23Å; Y188-R223 HydrophobicContact CE2-CB 4.08Å; Y188-R223 HydrophobicContact CE2-CG 4.42Å; Y188-R223 PolarHBondContact N-O 2.96Å; Y188-R223 PolarHBondContact O-N 3.48Å; Y188-R223 WeakPolarHBondContact OH-CD 3.3Å; Y188-A316 HydrophobicContact CD1-CB 4.41Å; Y188-A316 HydrophobicContact CE1-CB 3.6Å; Y188-A316 PolarHBondContact OH-O 2.93Å
189	V	96.9	Very high	94.2	Very high	27 Å²	27	59 Å²	59	16%	0.164	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	128.4	173.3	175.6	0	0	0	0	108.9	V220 L221 L222 I325 Y361 A366	V189-V220 HydrophobicContact CG1-CG1 3.54Å; V189-L221 CarbonylContact C-O 3.47Å; V189-L221 WeakPolarHBondContact CA-O 3.33Å; V189-L222 HydrophobicContact CG2-CD1 4.27Å; V189-I325 HydrophobicContact CG2-CD1 4.32Å; V189-Y361 HydrophobicContact CG2-CD2 4.37Å; V189-Y361 HydrophobicContact CG2-CE2 4.21Å; V189-A366 HydrophobicContact CG2-CB 3.54Å
190	Q	95.7	Very high	93.9	Very high	62 Å²	62	57 Å²	57	29%	0.29	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	133.1	173	-176.9	175.8	-2.4	0	0	110.5	Y188 L221	Y188-Q190 HydrophobicContact CD2-CB 4.31Å; Y188-Q190 HydrophobicContact CE2-CB 4.08Å; Q190-L221 PolarHBondContact N-O 3.03Å; Q190-L221 PolarHBondContact O-N 3.01Å
191	R	95.8	Very high	93.5	Very high	127 Å²	127	57.3 Å²	57.3	48%	0.479	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	121.7	165.6	-66.5	177.4	176.6	-87	-3.5	107.9	R219 V220 G363	R191-R219 WeakPolarHBondContact CA-O 3.18Å; R191-V220 HydrophobicContact CG-CG2 4.35Å; R191-G363 PolarHBondContact NH2-O 3.33Å
192	S	95	Very high	93	Very high	5 Å²	5	57.8 Å²	57.8	4%	0.035	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	133.6	179.4	-169.6	0	0	0	0	110.1	R219	S192-R219 PolarHBondContact N-O 2.95Å; S192-R219 PolarHBondContact O-N 3.07Å
193	P	96.2	Very high	92.4	Very high	23 Å²	23	56.2 Å²	56.2	15%	0.149	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	150.8	174.8	31.1	-34.8	0	0	0	111.1	Y195 N196 D217	P193-Y195 HydrophobicContact CB-CD1 3.56Å; P193-Y195 HydrophobicContact CB-CE1 3.31Å; P193-Y195 HydrophobicContact CB-CG 4.5Å; P193-Y195 HydrophobicContact CG-CD1 3.71Å; P193-Y195 HydrophobicContact CG-CE1 3.09Å; P193-Y195 HydrophobicContact CG-CE2 4.13Å; P193-Y195 HydrophobicContact CG-CG 4.41Å; P193-Y195 WeakPolarHBondContact CG-OH 3.42Å; P193-Y195 PolarHBondContact O-N 3.12Å; P193-N196 HydrophobicContact CG-CB 4.48Å; P193-N196 PolarHBondContact O-N 2.98Å; P193-D217 CarbonylContact C-O 3.54Å; P193-D217 WeakPolarHBondContact CA-O 2.97Å
194	M	94.6	Very high	91.9	Very high	15 Å²	15	61.2 Å²	61.2	7%	0.074	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-57.8	-32.6	-176.8	-80	-62	-63.7	0	0	113.8	N196 L197 R198 A201 L206 A214 D215 D217 R219	M194-N196 PolarHBondContact O-N 2.72Å; M194-L197 CarbonylContact O-C 3.57Å; M194-L197 WeakPolarHBondContact O-CA 3.43Å; M194-L197 PolarHBondContact O-N 3.41Å; M194-L197 HydrophobicContact SD-CD1 4.5Å; M194-R198 PolarHBondContact O-N 2.03Å; M194-A201 HydrophobicContact CE-CB 4.31Å; M194-L206 HydrophobicContact CE-CD1 3.99Å; M194-L206 HydrophobicContact SD-CD1 3.78Å; M194-A214 VanDerWaalsContact CB-O 3.28Å; M194-A214 WeakPolarHBondContact CB-O 2.83Å; M194-A214 WeakPolarHBondContact CG-O 3.25Å; M194-D215 PolarHBondContact N-O 2.93Å; M194-D217 HydrophobicContact CG-CB 4.33Å; M194-D217 WeakPolarHBondContact CG-O 3.46Å; M194-D217 PolarHBondContact N-O 2.9Å; M194-R219 HydrophobicContact CG-CG 4.29Å; M194-R219 HydrophobicContact SD-CG 3.51Å; M194-R219 VanDerWaalsContact SD-CG 3.51Å
195	Y	92.8	Very high	91.6	Very high	116 Å²	116	58 Å²	58	46%	0.455	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-60.5	-27.3	177.5	71.4	-101.1	0	0	0	113.5	P193 D215	P193-Y195 HydrophobicContact CB-CD1 3.56Å; P193-Y195 HydrophobicContact CB-CE1 3.31Å; P193-Y195 HydrophobicContact CB-CG 4.5Å; P193-Y195 HydrophobicContact CG-CD1 3.71Å; P193-Y195 HydrophobicContact CG-CE1 3.09Å; P193-Y195 HydrophobicContact CG-CE2 4.13Å; P193-Y195 HydrophobicContact CG-CG 4.41Å; P193-Y195 WeakPolarHBondContact CG-OH 3.42Å; P193-Y195 PolarHBondContact O-N 3.12Å; Y195-D215 WeakPolarHBondContact CD1-O 3.5Å; Y195-D215 PolarHBondContact N-O 2.85Å
196	N	92.4	Very high	91.4	Very high	92 Å²	92	54.1 Å²	54.1	49%	0.492	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-82.6	-17.9	173.4	-79.4	-12.3	0	0	0	112.8	P193 M194	P193-N196 HydrophobicContact CG-CB 4.48Å; P193-N196 PolarHBondContact O-N 2.98Å; M194-N196 PolarHBondContact O-N 2.72Å
197	L	92.3	Very high	91.3	Very high	2 Å²	2	53 Å²	53	1%	0.01	26%	0.255	C	S	.	.	S	Bend	trans	-105.7	10.5	-173	-57.8	173.8	0	0	0	112.9	M194 C199 A200 A201 L206 R219 L221 W322	M194-L197 CarbonylContact O-C 3.57Å; M194-L197 WeakPolarHBondContact O-CA 3.43Å; M194-L197 PolarHBondContact O-N 3.41Å; M194-L197 HydrophobicContact SD-CD1 4.5Å; L197-C199 VanDerWaalsContact C-N 3.28Å; L197-C199 PolarHBondContact O-N 3.39Å; L197-A200 PolarHBondContact O-N 2.85Å; L197-A201 WeakPolarHBondContact O-CB 3.39Å; L197-A201 PolarHBondContact O-N 3.08Å; L197-L206 HydrophobicContact CB-CD1 4.03Å; L197-L206 HydrophobicContact CD1-CD1 4.26Å; L197-L206 HydrophobicContact CD1-CD2 4.12Å; L197-R219 HydrophobicContact CD1-CB 3.74Å; L197-R219 HydrophobicContact CD1-CG 3.74Å; L197-L221 HydrophobicContact CD1-CD1 4.22Å; L197-L221 HydrophobicContact CD2-CD1 3.84Å; L197-W322 HydrophobicContact CD2-CH2 3.99Å; L197-W322 HydrophobicContact CD2-CZ2 4.19Å
198	R	88.8	Confident	91.2	Very high	135 Å²	135	54.8 Å²	54.8	51%	0.509	27%	0.267	S	S	.	.	H	α-helix	trans	-54.8	-44.9	-177.6	-72.2	178.7	176.3	173.7	-1.7	112.3	M194 A201 E202 D215	M194-R198 PolarHBondContact O-N 2.03Å; R198-A201 WeakPolarHBondContact O-CB 3.5Å; R198-A201 PolarHBondContact O-N 2.79Å; R198-E202 WeakPolarHBondContact O-CG 3.38Å; R198-E202 PolarHBondContact O-N 3.23Å; R198-D215 IonicContact CZ-OD1 3.85Å; R198-D215 IonicContact CZ-OD2 3.64Å; R198-D215 IonicContact NE-OD1 3.28Å; R198-D215 PolarHBondContact NE-OD1 3.33Å; R198-D215 VanDerWaalsContact NE-OD1 3.15Å; R198-D215 IonicContact NH2-OD1 3.58Å; R198-D215 PolarHBondContact NH2-OD1 2.88Å; R198-D215 VanDerWaalsContact NH2-OD1 3.17Å; R198-D215 IonicContact NH2-OD2 2.74Å; R198-D215 PolarHBondContact NH2-OD2 2.87Å
199	C	86.2	Confident	91	Very high	43 Å²	43	52.1 Å²	52.1	29%	0.291	26%	0.262	S	S	.	.	H	α-helix	trans	-59.5	-52.4	176.2	-100.6	0	0	0	0	112.5	L197 A201 E202 E203 C250	L197-C199 VanDerWaalsContact C-N 3.28Å; L197-C199 PolarHBondContact O-N 3.39Å; C199-A201 PolarHBondContact O-N 2.99Å; C199-E202 PolarHBondContact O-N 2.81Å; C199-E202 VanDerWaalsContact O-N 3.15Å; C199-E203 PolarHBondContact O-N 3.29Å; C199-E203 VanDerWaalsContact O-N 3.08Å; C199-C250 WeakPolarHBondContact CA-SG 3.27Å; C199-C250 HydrophobicContact CB-CB 3.47Å; C199-C250 VanDerWaalsContact CB-CB 3.47Å; C199-C250 WeakPolarHBondContact CB-SG 3.09Å; C199-C250 WeakPolarHBondContact SG-CB 3.5Å; C199-C250 CovalentContact SG-SG 2.03Å; C199-C250 PolarHBondContact SG-SG 2.7Å
200	A	87.9	Confident	90.8	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-63.1	-29.3	177.4	0	0	0	0	0	112.8	L197 N204 C205 W322	L197-A200 PolarHBondContact O-N 2.85Å; A200-N204 PolarHBondContact O-N 3.2Å; A200-C205 HydrophobicContact CB-CB 4.06Å; A200-C205 WeakPolarHBondContact O-CA 3.48Å; A200-C205 VanDerWaalsContact O-CB 3.27Å; A200-C205 WeakPolarHBondContact O-CB 3.36Å; A200-C205 PolarHBondContact O-N 3.06Å; A200-W322 HydrophobicContact CB-CH2 3.57Å; A200-W322 HydrophobicContact CB-CZ2 3.42Å; A200-W322 VanDerWaalsContact CB-CZ2 3.42Å
201	A	88.3	Confident	90.6	Very high	33 Å²	33	57.5 Å²	57.5	27%	0.273	28%	0.278	S	S	.	.	H	α-helix	trans	-70.8	-40.6	174.4	0	0	0	0	0	112.2	M194 L197 R198 C199 E203 N204 L206	M194-A201 HydrophobicContact CE-CB 4.31Å; L197-A201 WeakPolarHBondContact O-CB 3.39Å; L197-A201 PolarHBondContact O-N 3.08Å; R198-A201 WeakPolarHBondContact O-CB 3.5Å; R198-A201 PolarHBondContact O-N 2.79Å; C199-A201 PolarHBondContact O-N 2.99Å; A201-E203 VanDerWaalsContact C-N 3.26Å; A201-E203 PolarHBondContact O-N 3.17Å; A201-N204 PolarHBondContact O-N 3.26Å; A201-N204 VanDerWaalsContact O-N 3.12Å; A201-L206 HydrophobicContact CB-CD1 3.91Å
202	E	84.4	Confident	90.3	Very high	149 Å²	149	56.8 Å²	56.8	70%	0.696	29%	0.292	S	S	*	.	H	α-helix	trans	-62.1	-35.7	174.3	-72.8	175	-175.7	0	0	111.6	R198 C199 N204	R198-E202 WeakPolarHBondContact O-CG 3.38Å; R198-E202 PolarHBondContact O-N 3.23Å; C199-E202 PolarHBondContact O-N 2.81Å; C199-E202 VanDerWaalsContact O-N 3.15Å; E202-N204 VanDerWaalsContact C-N 3.26Å; E202-N204 PolarHBondContact O-N 3.18Å
203	E	81.8	Confident	90.1	Very high	37 Å²	37	58 Å²	58	17%	0.173	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	6	176.4	-62.5	-169.3	176	0	0	114	C199 A201 C205 H248 C250 H251	C199-E203 PolarHBondContact O-N 3.29Å; C199-E203 VanDerWaalsContact O-N 3.08Å; A201-E203 VanDerWaalsContact C-N 3.26Å; A201-E203 PolarHBondContact O-N 3.17Å; E203-C205 VanDerWaalsContact C-N 3.31Å; E203-C205 PolarHBondContact O-N 3.24Å; E203-H248 WeakPolarHBondContact OE1-CB 3.4Å; E203-H248 IonicContact OE1-CG 2.86Å; E203-H248 IonicContact OE1-ND1 3.93Å; E203-H248 PolarHBondContact OE1-ND1 2.84Å; E203-H248 IonicContact OE2-ND1 2.74Å; E203-H248 PolarHBondContact OE2-ND1 2.88Å; E203-C250 WeakPolarHBondContact OE1-CB 3.32Å; E203-H251 IonicContact OE1-CE1 2.8Å; E203-H251 IonicContact OE1-ND1 2.78Å; E203-H251 IonicContact OE2-CE1 3.14Å; E203-H251 PolarHBondContact OE2-CE1 2.88Å; E203-H251 IonicContact OE2-ND1 3.15Å
204	N	85.9	Confident	90	Very high	107 Å²	107	59.5 Å²	59.5	57%	0.572	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.3	38.3	-177.9	-56.8	-81.3	0	0	0	114	A200 A201 E202	A200-N204 PolarHBondContact O-N 3.2Å; A201-N204 PolarHBondContact O-N 3.26Å; A201-N204 VanDerWaalsContact O-N 3.12Å; E202-N204 VanDerWaalsContact C-N 3.26Å; E202-N204 PolarHBondContact O-N 3.18Å
205	C	88.1	Confident	89.9	Confident	6 Å²	6	62.1 Å²	62.1	4%	0.041	33%	0.329	C	S	.	.			trans	-90.5	2.1	177.9	-50.8	0	0	0	0	114.9	A200 E203 H278 C320 W322	A200-C205 HydrophobicContact CB-CB 4.06Å; A200-C205 WeakPolarHBondContact O-CA 3.48Å; A200-C205 VanDerWaalsContact O-CB 3.27Å; A200-C205 WeakPolarHBondContact O-CB 3.36Å; A200-C205 PolarHBondContact O-N 3.06Å; E203-C205 VanDerWaalsContact C-N 3.31Å; E203-C205 PolarHBondContact O-N 3.24Å; C205-H278 WeakPolarHBondContact CA-CE1 3.44Å; C205-H278 WeakPolarHBondContact CA-ND1 3.33Å; C205-H278 WeakPolarHBondContact CB-CE1 3.31Å; C205-H278 PolarHBondContact SG-CE1 2.92Å; C205-C320 HydrophobicContact CB-CB 3.67Å; C205-C320 WeakPolarHBondContact CB-SG 3.36Å; C205-C320 WeakPolarHBondContact SG-CB 3.38Å; C205-C320 CovalentContact SG-SG 2.03Å; C205-C320 PolarHBondContact SG-SG 3.41Å; C205-W322 HydrophobicContact CB-CZ2 4.36Å; C205-W322 PolarHBondContact O-NE1 2.03Å
206	L	91.9	Very high	89.9	Confident	14 Å²	14	66 Å²	66	7%	0.073	34%	0.344	C	S	.	.	S	Bend	trans	-114.2	158.5	177.3	-60.6	177.5	0	0	0	109.9	M194 L197 A201 S210 R219 L221 W322	M194-L206 HydrophobicContact CE-CD1 3.99Å; M194-L206 HydrophobicContact SD-CD1 3.78Å; L197-L206 HydrophobicContact CB-CD1 4.03Å; L197-L206 HydrophobicContact CD1-CD1 4.26Å; L197-L206 HydrophobicContact CD1-CD2 4.12Å; A201-L206 HydrophobicContact CB-CD1 3.91Å; L206-S210 VanDerWaalsContact CB-OG 3.3Å; L206-S210 WeakPolarHBondContact CB-OG 3.47Å; L206-R219 HydrophobicContact CD1-CG 4.47Å; L206-L221 HydrophobicContact CD2-CD2 3.84Å; L206-W322 HydrophobicContact CD2-CZ2 4.04Å
207	A	92.5	Very high	90	Very high	6 Å²	6	65.1 Å²	65.1	5%	0.05	34%	0.34	C	S	.	.			trans	-62.1	152.9	175	0	0	0	0	0	110.5	S209 S210 E276 D324	A207-S209 PolarHBondContact O-N 3.13Å; A207-S210 VanDerWaalsContact O-CB 3.23Å; A207-S210 WeakPolarHBondContact O-CB 3.49Å; A207-S210 PolarHBondContact O-N 2.85Å; A207-S210 PolarHBondContact O-OG 2.77Å; A207-E276 HydrophobicContact CB-CB 4.27Å; A207-D324 HydrophobicContact CB-CB 4.13Å; A207-D324 PolarHBondContact N-OD2 2.74Å
208	S	92.4	Very high	90.2	Very high	62 Å²	62	68.8 Å²	68.8	43%	0.434	36%	0.362	S	S	.	.	G	3₁₀ helix	trans	-56.1	-25.3	-177.7	48.6	0	0	0	0	114.1	S210 R211 E276	S208-S210 PolarHBondContact O-N 2.82Å; S208-R211 WeakPolarHBondContact O-CB 3.01Å; S208-R211 WeakPolarHBondContact O-CG 3.27Å; S208-R211 PolarHBondContact O-N 3.17Å; S208-E276 WeakPolarHBondContact CB-OE2 3.48Å; S208-E276 PolarHBondContact N-OE2 3.5Å; S208-E276 PolarHBondContact OG-OE2 3.41Å
209	S	91.9	Very high	90.5	Very high	34 Å²	34	62.8 Å²	62.8	24%	0.238	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-61.8	-23.4	172.8	62.1	0	0	0	0	113.9	A207 R211 S212 R219 D327	A207-S209 PolarHBondContact O-N 3.13Å; S209-R211 PolarHBondContact O-N 3.43Å; S209-S212 PolarHBondContact O-OG 2.99Å; S209-R219 PolarHBondContact OG-NH1 3.46Å; S209-R219 PolarHBondContact OG-NH2 2.93Å; S209-D327 VanDerWaalsContact CB-OD2 3.26Å; S209-D327 WeakPolarHBondContact CB-OD2 3.49Å; S209-D327 PolarHBondContact OG-OD2 3.42Å
210	S	92.4	Very high	91	Very high	10 Å²	10	61.1 Å²	61.1	7%	0.07	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-67.3	-20.8	177	67.1	0	0	0	0	113.9	L206 A207 S208 S212 S213	L206-S210 VanDerWaalsContact CB-OG 3.3Å; L206-S210 WeakPolarHBondContact CB-OG 3.47Å; A207-S210 VanDerWaalsContact O-CB 3.23Å; A207-S210 WeakPolarHBondContact O-CB 3.49Å; A207-S210 PolarHBondContact O-N 2.85Å; A207-S210 PolarHBondContact O-OG 2.77Å; S208-S210 PolarHBondContact O-N 2.82Å; S210-S212 PolarHBondContact O-N 3.35Å; S210-S213 WeakPolarHBondContact O-CB 3.03Å; S210-S213 PolarHBondContact O-N 3.08Å
211	R	90.6	Very high	91.3	Very high	192 Å²	192	61.1 Å²	61.1	73%	0.725	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-63.5	-25.3	-177.9	-67.6	179.2	179	167.5	2.1	113.4	S208 S209	S208-R211 WeakPolarHBondContact O-CB 3.01Å; S208-R211 WeakPolarHBondContact O-CG 3.27Å; S208-R211 PolarHBondContact O-N 3.17Å; S209-R211 PolarHBondContact O-N 3.43Å
212	S	90.3	Very high	91.7	Very high	111 Å²	111	59.6 Å²	59.6	78%	0.776	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-102.2	3	176.2	49.5	0	0	0	0	113.4	S209 S210	S209-S212 PolarHBondContact O-OG 2.99Å; S210-S212 PolarHBondContact O-N 3.35Å
213	S	91.4	Very high	92.3	Very high	32 Å²	32	53 Å²	53	22%	0.224	28%	0.284	C	S	.	.			trans	-76.8	139.8	-178.8	-66.2	0	0	0	0	111.7	S210 D217	S210-S213 WeakPolarHBondContact O-CB 3.03Å; S210-S213 PolarHBondContact O-N 3.08Å; S213-D217 WeakPolarHBondContact CA-OD2 3.33Å
214	A	93.3	Very high	92.9	Very high	54 Å²	54	51.2 Å²	51.2	45%	0.446	28%	0.276	S	S	.	.			trans	-76.2	160.7	171.8	0	0	0	0	0	111.1	M194 Y216 D217	M194-A214 VanDerWaalsContact CB-O 3.28Å; M194-A214 WeakPolarHBondContact CB-O 2.83Å; M194-A214 WeakPolarHBondContact CG-O 3.25Å; A214-Y216 PolarHBondContact O-N 3.15Å; A214-Y216 VanDerWaalsContact O-N 3.1Å; A214-D217 PolarHBondContact N-OD2 3.07Å; A214-D217 WeakPolarHBondContact O-CB 3.5Å; A214-D217 PolarHBondContact O-N 2.88Å
215	D	92.1	Very high	93.3	Very high	69 Å²	69	46.6 Å²	46.6	37%	0.369	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-31.1	-178.8	-85.3	-33	0	0	0	114.3	M194 Y195 R198	M194-D215 PolarHBondContact N-O 2.93Å; Y195-D215 WeakPolarHBondContact CD1-O 3.5Å; Y195-D215 PolarHBondContact N-O 2.85Å; R198-D215 IonicContact CZ-OD1 3.85Å; R198-D215 IonicContact CZ-OD2 3.64Å; R198-D215 IonicContact NE-OD1 3.28Å; R198-D215 PolarHBondContact NE-OD1 3.33Å; R198-D215 VanDerWaalsContact NE-OD1 3.15Å; R198-D215 IonicContact NH2-OD1 3.58Å; R198-D215 PolarHBondContact NH2-OD1 2.88Å; R198-D215 VanDerWaalsContact NH2-OD1 3.17Å; R198-D215 IonicContact NH2-OD2 2.74Å; R198-D215 PolarHBondContact NH2-OD2 2.87Å
216	Y	93.2	Very high	93.6	Very high	197 Å²	197	46.3 Å²	46.3	77%	0.773	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	-6.5	179.8	-65.9	-72.2	0	0	0	113.9	A214	A214-Y216 PolarHBondContact O-N 3.15Å; A214-Y216 VanDerWaalsContact O-N 3.1Å
217	D	95.3	Very high	93.7	Very high	74 Å²	74	47.4 Å²	47.4	40%	0.396	25%	0.253	S	S	.	.	P	Polyproline II helix	trans	-67.7	141.7	175.7	-67.5	-15.1	0	0	0	109.6	P193 M194 S213 A214	P193-D217 CarbonylContact C-O 3.54Å; P193-D217 WeakPolarHBondContact CA-O 2.97Å; M194-D217 HydrophobicContact CG-CB 4.33Å; M194-D217 WeakPolarHBondContact CG-O 3.46Å; M194-D217 PolarHBondContact N-O 2.9Å; S213-D217 WeakPolarHBondContact CA-OD2 3.33Å; A214-D217 PolarHBondContact N-OD2 3.07Å; A214-D217 WeakPolarHBondContact O-CB 3.5Å; A214-D217 PolarHBondContact O-N 2.88Å
218	T	95.3	Very high	93.8	Very high	79 Å²	79	47.1 Å²	47.1	49%	0.485	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	132.1	-179	60.2	0	0	0	0	110.9
219	R	95.7	Very high	94	Very high	9 Å²	9	46.5 Å²	46.5	3%	0.034	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	148.1	166.9	-53.9	-58.5	-66.7	179.2	1.3	110.3	R191 S192 M194 L197 L206 S209 L221 D324 T326 D327	R191-R219 WeakPolarHBondContact CA-O 3.18Å; S192-R219 PolarHBondContact N-O 2.95Å; S192-R219 PolarHBondContact O-N 3.07Å; M194-R219 HydrophobicContact CG-CG 4.29Å; M194-R219 HydrophobicContact SD-CG 3.51Å; M194-R219 VanDerWaalsContact SD-CG 3.51Å; L197-R219 HydrophobicContact CD1-CB 3.74Å; L197-R219 HydrophobicContact CD1-CG 3.74Å; L206-R219 HydrophobicContact CD1-CG 4.47Å; S209-R219 PolarHBondContact OG-NH1 3.46Å; S209-R219 PolarHBondContact OG-NH2 2.93Å; R219-L221 HydrophobicContact CB-CD2 4.01Å; R219-D324 IonicContact CZ-OD1 3.25Å; R219-D324 IonicContact CZ-OD2 3.98Å; R219-D324 VanDerWaalsContact CZ-OD2 3.25Å; R219-D324 IonicContact NE-OD1 3.24Å; R219-D324 IonicContact NE-OD2 3.82Å; R219-D324 PolarHBondContact NE-OD2 2.8Å; R219-D324 VanDerWaalsContact NH2-CG 3.3Å; R219-D324 IonicContact NH2-OD1 2.7Å; R219-D324 PolarHBondContact NH2-OD1 3.44Å; R219-D324 IonicContact NH2-OD2 3.82Å; R219-D324 PolarHBondContact NH2-OD2 3.12Å; R219-T326 WeakPolarHBondContact CA-OG1 3.31Å; R219-T326 PolarHBondContact NE-OG1 2.77Å; R219-D327 IonicContact NH2-OD2 2.98Å
220	V	96	Very high	94.2	Very high	8 Å²	8	44.9 Å²	44.9	5%	0.048	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	116.6	174.9	-168.9	0	0	0	0	108.1	V189 R191 I325 T326	V189-V220 HydrophobicContact CG1-CG1 3.54Å; R191-V220 HydrophobicContact CG-CG2 4.35Å; V220-I325 HydrophobicContact CB-CG1 4.16Å; V220-I325 HydrophobicContact CG1-CD1 3.97Å; V220-I325 HydrophobicContact CG1-CG1 3.83Å; V220-I325 VanDerWaalsContact O-CG1 3.28Å; V220-I325 WeakPolarHBondContact O-CG1 3.37Å; V220-I325 PolarHBondContact O-N 2.58Å; V220-T326 PolarHBondContact N-OG1 2.94Å; V220-T326 PolarHBondContact O-N 3.32Å
221	L	95.6	Very high	94.3	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	125.5	-171.7	-50.6	178	0	0	0	109.4	V189 Q190 L197 L206 R219 R223 W322 D324	V189-L221 CarbonylContact C-O 3.47Å; V189-L221 WeakPolarHBondContact CA-O 3.33Å; Q190-L221 PolarHBondContact N-O 3.03Å; Q190-L221 PolarHBondContact O-N 3.01Å; L197-L221 HydrophobicContact CD1-CD1 4.22Å; L197-L221 HydrophobicContact CD2-CD1 3.84Å; L206-L221 HydrophobicContact CD2-CD2 3.84Å; R219-L221 HydrophobicContact CB-CD2 4.01Å; L221-R223 PolarHBondContact O-N 3.04Å; L221-W322 HydrophobicContact CB-CB 4.16Å; L221-W322 HydrophobicContact CB-CD2 4.47Å; L221-W322 HydrophobicContact CB-CG 4.08Å; L221-W322 HydrophobicContact CD1-CD2 3.95Å; L221-W322 HydrophobicContact CD1-CE3 4.21Å; L221-W322 HydrophobicContact CD1-CG 4.38Å; L221-W322 HydrophobicContact CD1-CH2 4.38Å; L221-W322 HydrophobicContact CD1-CZ2 4.16Å; L221-W322 HydrophobicContact CD1-CZ3 4.4Å; L221-W322 HydrophobicContact CD2-CD2 4.45Å; L221-W322 HydrophobicContact CD2-CG 4.26Å; L221-W322 HydrophobicContact CG-CG 4.46Å; L221-D324 HydrophobicContact CD2-CB 4.28Å
222	L	96.4	Very high	94.4	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.01	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	98.7	167.7	178.6	61.5	0	0	0	108.4	V189 L265 W322 I323 I325 V359 A366	V189-L222 HydrophobicContact CG2-CD1 4.27Å; L222-L265 HydrophobicContact CD2-CD1 4.3Å; L222-W322 CarbonylContact O-C 3.46Å; L222-W322 WeakPolarHBondContact O-CA 3.33Å; L222-W322 VanDerWaalsContact O-CB 3.29Å; L222-W322 WeakPolarHBondContact O-CB 3.49Å; L222-I323 PolarHBondContact N-O 3.14Å; L222-I323 PolarHBondContact O-N 3Å; L222-I325 HydrophobicContact CB-CD1 4.04Å; L222-I325 HydrophobicContact CB-CG1 4.25Å; L222-I325 HydrophobicContact CB-CG2 3.95Å; L222-V359 HydrophobicContact CD2-CG1 4.43Å; L222-A366 HydrophobicContact CD1-CB 3.76Å
223	R	95.3	Very high	94.4	Very high	9 Å²	9	38.9 Å²	38.9	3%	0.034	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	145.4	178.7	-75.3	175.8	172.7	-89.4	10.5	110.8	S187 Y188 L221 A316 D317 I318 D319 W322	S187-R223 CarbonylContact C-O 3.59Å; S187-R223 WeakPolarHBondContact CA-O 3.39Å; S187-R223 WeakPolarHBondContact CB-O 3.27Å; Y188-R223 HydrophobicContact CD2-CB 4.39Å; Y188-R223 HydrophobicContact CE1-CB 4.23Å; Y188-R223 HydrophobicContact CE2-CB 4.08Å; Y188-R223 HydrophobicContact CE2-CG 4.42Å; Y188-R223 PolarHBondContact N-O 2.96Å; Y188-R223 PolarHBondContact O-N 3.48Å; Y188-R223 WeakPolarHBondContact OH-CD 3.3Å; L221-R223 PolarHBondContact O-N 3.04Å; R223-A316 HydrophobicContact CB-CB 4.22Å; R223-A316 VanDerWaalsContact CD-O 3.25Å; R223-A316 WeakPolarHBondContact CD-O 3.41Å; R223-A316 PolarHBondContact NH1-O 3.27Å; R223-D317 PolarHBondContact NH1-O 2.86Å; R223-I318 PolarHBondContact NH1-O 2.83Å; R223-D319 IonicContact NH2-OD1 3.63Å; R223-W322 HydrophobicContact CG-CB 3.82Å; R223-W322 HydrophobicContact CG-CE3 4.34Å; R223-W322 VanDerWaalsContact NH1-CE3 3.35Å
224	F	95.1	Very high	94.5	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	144.3	176.3	57	-86.8	0	0	0	111.4	I183 A186 Y263 Q321 I323 L335 V337	I183-F224 HydrophobicContact CG1-CD2 4.5Å; I183-F224 HydrophobicContact CG2-CB 4.39Å; I183-F224 HydrophobicContact CG2-CD2 4.44Å; A186-F224 CarbonylContact O-C 3.48Å; A186-F224 VanDerWaalsContact O-CA 3.28Å; A186-F224 WeakPolarHBondContact O-CA 3.31Å; F224-Y263 HydrophobicContact CE1-CD2 4.42Å; F224-Y263 HydrophobicContact CE2-CD1 4.06Å; F224-Y263 HydrophobicContact CE2-CD2 4.47Å; F224-Y263 AromaticContact CE2-CE1 3.82Å; F224-Y263 HydrophobicContact CE2-CE1 3.82Å; F224-Y263 HydrophobicContact CE2-CE2 4.27Å; F224-Y263 HydrophobicContact CE2-CG 4.37Å; F224-Y263 AromaticContact CE2-CZ 3.92Å; F224-Y263 AromaticContact CZ-CD1 3.71Å; F224-Y263 HydrophobicContact CZ-CD1 3.71Å; F224-Y263 AromaticContact CZ-CD2 3.63Å; F224-Y263 HydrophobicContact CZ-CD2 3.63Å; F224-Y263 AromaticContact CZ-CE1 3.86Å; F224-Y263 HydrophobicContact CZ-CE1 3.86Å; F224-Y263 AromaticContact CZ-CE2 3.79Å; F224-Y263 HydrophobicContact CZ-CE2 3.79Å; F224-Y263 AromaticContact CZ-CG 3.58Å; F224-Y263 HydrophobicContact CZ-CG 3.58Å; F224-Y263 AromaticContact CZ-CZ 3.89Å; F224-Q321 WeakPolarHBondContact O-CG 3.31Å; F224-Q321 PolarHBondContact O-NE2 2.76Å; F224-I323 HydrophobicContact CE1-CD1 4.5Å; F224-I323 HydrophobicContact CE1-CG1 4.2Å; F224-L335 HydrophobicContact CD1-CD2 4.18Å; F224-L335 HydrophobicContact CE1-CD1 4.33Å; F224-L335 HydrophobicContact CE1-CD2 4.47Å; F224-L335 HydrophobicContact CG-CD2 4.28Å; F224-V337 HydrophobicContact CE2-CG2 3.87Å; F224-V337 HydrophobicContact CZ-CG2 4.21Å
225	T	94.4	Very high	94.4	Very high	11 Å²	11	36.8 Å²	36.8	7%	0.067	19%	0.185	C	C	.	.			trans	-76.4	127.3	174.2	-64.5	0	0	0	0	110.5	Y182 A186 T313 Y314 A316	Y182-T225 HydrophobicContact CD1-CG2 3.97Å; Y182-T225 HydrophobicContact CG-CG2 4.46Å; A186-T225 WeakPolarHBondContact CB-OG1 3.18Å; A186-T225 PolarHBondContact O-N 3.45Å; T225-T313 HydrophobicContact CG2-CG2 4.04Å; T225-Y314 CarbonylContact C-O 3.51Å; T225-Y314 VanDerWaalsContact CA-O 3.31Å; T225-Y314 WeakPolarHBondContact CA-O 3.2Å; T225-Y314 WeakPolarHBondContact CG2-O 3.46Å; T225-A316 PolarHBondContact OG1-N 2.87Å; T225-A316 VanDerWaalsContact OG1-N 3.08Å
226	Q	93.6	Very high	94.4	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	123.7	168.7	-174.6	-168.9	9.8	0	0	109	V228 S261 Y263 T313 Y314	Q226-V228 HydrophobicContact CG-CG2 3.94Å; Q226-S261 PolarHBondContact OE1-OG 3.04Å; Q226-Y263 PolarHBondContact OE1-OH 2.81Å; Q226-T313 CarbonylContact O-C 3.56Å; Q226-T313 WeakPolarHBondContact O-CA 3.36Å; Q226-Y314 PolarHBondContact N-O 2.79Å; Q226-Y314 PolarHBondContact O-N 2.87Å
227	R	94.5	Very high	94.2	Very high	37 Å²	37	28.1 Å²	28.1	14%	0.14	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	130	167.8	-180	172.4	177.2	-177.2	-3.6	108.8	P178 D179 Y182 Y311 D312 T313	P178-R227 CarbonylContact C-O 3.51Å; P178-R227 WeakPolarHBondContact CA-O 3.46Å; D179-R227 HydrophobicContact CB-CB 4.08Å; D179-R227 HydrophobicContact CB-CG 4.39Å; D179-R227 PolarHBondContact N-O 2.86Å; Y182-R227 HydrophobicContact CD2-CB 4.24Å; Y182-R227 HydrophobicContact CG-CB 4.26Å; Y182-R227 PolarHBondContact OH-NH1 3.07Å; R227-Y311 HydrophobicContact CG-CD1 4.05Å; R227-Y311 VanDerWaalsContact NE-CG 3.33Å; R227-Y311 VanDerWaalsContact NH2-CE2 3.29Å; R227-Y311 VanDerWaalsContact NH2-CG 3.26Å; R227-D312 CarbonylContact C-O 3.51Å; R227-D312 WeakPolarHBondContact CA-O 3.47Å; R227-T313 HydrophobicContact CB-CG2 4.2Å; R227-T313 HydrophobicContact CG-CG2 4.43Å
228	V	95.4	Very high	93.7	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	126.5	179.8	-176.9	0	0	0	0	108.9	L176 V177 Q226 F260 Y311 D312 V339	L176-V228 HydrophobicContact CB-CG1 3.9Å; L176-V228 HydrophobicContact CD1-CG1 4.46Å; L176-V228 HydrophobicContact CD2-CG1 4.11Å; L176-V228 HydrophobicContact CG-CG1 4.4Å; V177-V228 WeakPolarHBondContact O-CA 3.35Å; Q226-V228 HydrophobicContact CG-CG2 3.94Å; V228-F260 HydrophobicContact CB-CE1 4.43Å; V228-F260 HydrophobicContact CB-CZ 4.12Å; V228-F260 HydrophobicContact CG1-CZ 4.09Å; V228-F260 HydrophobicContact CG2-CE1 3.9Å; V228-F260 HydrophobicContact CG2-CZ 4Å; V228-Y311 CarbonylContact O-C 3.57Å; V228-Y311 WeakPolarHBondContact O-CA 3.38Å; V228-D312 PolarHBondContact N-O 2.99Å; V228-D312 PolarHBondContact O-N 3.23Å; V228-V339 HydrophobicContact CG1-CG1 4.03Å; V228-V339 HydrophobicContact CG1-CG2 4.44Å; V228-V339 HydrophobicContact CG2-CG1 4.43Å; V228-V339 HydrophobicContact CG2-CG2 3.87Å
229	K	95.8	Very high	92.8	Very high	49 Å²	49	24.5 Å²	24.5	21%	0.213	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	138.4	174.1	-172	178.8	-175	158.6	0	110	L176 V177 Q231 D290 Y311	L176-K229 CarbonylContact C-O 3.54Å; L176-K229 VanDerWaalsContact CA-O 3.31Å; L176-K229 WeakPolarHBondContact CA-O 3.28Å; V177-K229 PolarHBondContact N-O 3.45Å; V177-K229 PolarHBondContact O-N 3.45Å; K229-Q231 HydrophobicContact CD-CB 4.17Å; K229-Q231 HydrophobicContact CG-CB 4.41Å; K229-D290 VanDerWaalsContact CE-OD2 3.27Å; K229-D290 WeakPolarHBondContact CE-OD2 3.41Å; K229-D290 IonicContact NZ-OD1 2.7Å; K229-D290 IonicContact NZ-OD2 3.91Å; K229-D290 PolarHBondContact NZ-OD2 2.85Å; K229-Y311 HydrophobicContact CB-CD1 3.56Å; K229-Y311 HydrophobicContact CB-CE1 3.52Å; K229-Y311 HydrophobicContact CD-CD1 4.38Å; K229-Y311 HydrophobicContact CD-CE1 3.54Å; K229-Y311 WeakPolarHBondContact CE-OH 3.4Å; K229-Y311 HydrophobicContact CG-CD1 3.82Å; K229-Y311 HydrophobicContact CG-CE1 3.48Å; K229-Y311 VanDerWaalsContact CG-CE1 3.48Å; K229-Y311 PolarHBondContact NZ-OH 2.74Å
230	N	95.8	Very high	91.9	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	99.3	157.5	-179.3	8	0	0	0	109	D175 L176 G232 A234 L306 S307 G309 C310	D175-N230 PolarHBondContact N-OD1 2.74Å; D175-N230 VanDerWaalsContact N-OD1 3.12Å; D175-N230 CarbonylContact O-C 3.57Å; D175-N230 WeakPolarHBondContact O-CA 3.45Å; L176-N230 HydrophobicContact CD2-CB 4.07Å; N230-G232 VanDerWaalsContact C-N 3.3Å; N230-G232 PolarHBondContact OD1-N 3.42Å; N230-A234 PolarHBondContact ND2-O 3.29Å; N230-L306 HydrophobicContact CB-CD2 3.77Å; N230-L306 HydrophobicContact CB-CG 3.69Å; N230-L306 PolarHBondContact ND2-O 3.11Å; N230-S307 WeakPolarHBondContact CB-O 3.28Å; N230-G309 PolarHBondContact O-N 3.02Å; N230-C310 PolarHBondContact N-O 3.06Å
231	Q	94.9	Very high	91	Very high	94 Å²	94	30.2 Å²	30.2	44%	0.439	16%	0.163	S	C	.	.			trans	-90	2	175.7	70.9	176.1	5.7	0	0	113	D175 V177 K229 N352	D175-Q231 HydrophobicContact CB-CG 3.75Å; D175-Q231 VanDerWaalsContact CG-CG 3.48Å; D175-Q231 WeakPolarHBondContact O-CG 3.46Å; D175-Q231 PolarHBondContact O-N 3.08Å; D175-Q231 VanDerWaalsContact OD2-CG 3.27Å; D175-Q231 WeakPolarHBondContact OD2-CG 3.45Å; D175-Q231 PolarHBondContact OD2-NE2 3.38Å; V177-Q231 HydrophobicContact CG2-CG 3.85Å; K229-Q231 HydrophobicContact CD-CB 4.17Å; K229-Q231 HydrophobicContact CG-CB 4.41Å; Q231-N352 PolarHBondContact NE2-ND2 2.59Å
232	G	93.1	Very high	90.1	Very high	11 Å²	11	37.4 Å²	37.4	11%	0.113	19%	0.19	C	C	.	.	S	Bend	trans	-75.4	-168.7	-177.8	0	0	0	0	0	112.8	N230	N230-G232 VanDerWaalsContact C-N 3.3Å; N230-G232 PolarHBondContact OD1-N 3.42Å
233	T	91.2	Very high	89.1	Confident	82 Å²	82	47.2 Å²	47.2	50%	0.503	23%	0.228	S	C	.	.	S	Bend	trans	-113.6	10.8	-177.4	55.7	0	0	0	0	112.4	H169 G172 L173	H169-T233 PolarHBondContact ND1-O 3.42Å; G172-T233 VanDerWaalsContact CA-OG1 3.22Å; G172-T233 WeakPolarHBondContact CA-OG1 3.43Å; L173-T233 PolarHBondContact O-N 2.74Å
234	A	91.8	Very high	88.3	Confident	10 Å²	10	47.8 Å²	47.8	8%	0.083	23%	0.234	C	C	.	.	S	Bend	trans	-146.8	164	173.2	0	0	0	0	0	111	G172 L173 P174 N230	G172-A234 WeakPolarHBondContact O-CB 3.4Å; L173-A234 PolarHBondContact O-N 2.78Å; P174-A234 WeakPolarHBondContact CA-O 3.1Å; N230-A234 PolarHBondContact ND2-O 3.29Å
235	D	91.6	Very high	87.5	Confident	32 Å²	32	49.3 Å²	49.3	17%	0.171	24%	0.24	C	C	.	.			trans	-67.4	133.4	-179.1	-58	7	0	0	0	109.4	L237 R296 Y297 P308	D235-L237 HydrophobicContact CB-CD2 4.1Å; D235-L237 HydrophobicContact CB-CG 4.17Å; D235-L237 PolarHBondContact O-N 2.93Å; D235-R296 IonicContact OD1-CZ 2.74Å; D235-R296 IonicContact OD1-NH1 3.83Å; D235-R296 PolarHBondContact OD1-NH1 3.05Å; D235-R296 IonicContact OD1-NH2 3.07Å; D235-R296 PolarHBondContact OD1-NH2 3.25Å; D235-R296 IonicContact OD2-CZ 3.41Å; D235-R296 VanDerWaalsContact OD2-CZ 3.24Å; D235-R296 IonicContact OD2-NH1 3.32Å; D235-R296 PolarHBondContact OD2-NH1 3.29Å; D235-R296 IonicContact OD2-NH2 2.65Å; D235-R296 PolarHBondContact OD2-NH2 2.84Å; D235-R296 VanDerWaalsContact OD2-NH2 3.14Å; D235-Y297 HydrophobicContact CB-CE2 4.23Å; D235-Y297 PolarHBondContact OD2-OH 2.97Å; D235-P308 WeakPolarHBondContact OD1-CD 3.29Å
236	F	92	Very high	86.7	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	26%	0.262	C	S	.	.	B	Isolated β-bridge	trans	-81.3	114.2	166.9	-175	-88.3	0	0	0	107.7	P174 L176 M257 F260 L284 G305 L306 V345	P174-F236 HydrophobicContact CB-CB 3.76Å; P174-F236 HydrophobicContact CB-CD2 3.98Å; P174-F236 HydrophobicContact CB-CG 4.39Å; P174-F236 HydrophobicContact CG-CB 4.24Å; P174-F236 HydrophobicContact CG-CD2 3.85Å; L176-F236 HydrophobicContact CD1-CD1 4.27Å; L176-F236 HydrophobicContact CD1-CD2 3.53Å; L176-F236 HydrophobicContact CD1-CE1 4.12Å; L176-F236 HydrophobicContact CD1-CE2 3.34Å; L176-F236 HydrophobicContact CD1-CG 4Å; L176-F236 HydrophobicContact CD1-CZ 3.67Å; L176-F236 HydrophobicContact CD2-CB 4.09Å; L176-F236 HydrophobicContact CD2-CD2 3.97Å; L176-F236 HydrophobicContact CD2-CG 4.02Å; L176-F236 HydrophobicContact CG-CD2 3.76Å; L176-F236 HydrophobicContact CG-CE2 4Å; L176-F236 HydrophobicContact CG-CG 4.28Å; F236-M257 HydrophobicContact CE1-CE 3.87Å; F236-M257 HydrophobicContact CE1-SD 3.99Å; F236-M257 HydrophobicContact CZ-CE 4.03Å; F236-M257 HydrophobicContact CZ-SD 4.2Å; F236-F260 HydrophobicContact CE1-CD2 4.29Å; F236-F260 HydrophobicContact CE1-CE2 4.08Å; F236-F260 HydrophobicContact CZ-CE2 4.44Å; F236-L284 HydrophobicContact CD1-CD1 3.96Å; F236-L284 HydrophobicContact CD1-CD2 4.38Å; F236-L284 HydrophobicContact CE1-CD1 3.86Å; F236-L284 HydrophobicContact CE1-CD2 4.27Å; F236-G305 CarbonylContact O-C 3.25Å; F236-G305 WeakPolarHBondContact O-CA 3.16Å; F236-L306 HydrophobicContact CB-CB 4.19Å; F236-L306 PolarHBondContact N-O 3.41Å; F236-L306 PolarHBondContact O-N 3.47Å; F236-V345 HydrophobicContact CD2-CB 4.2Å; F236-V345 HydrophobicContact CD2-CG1 3.67Å; F236-V345 HydrophobicContact CE1-CG2 4.32Å; F236-V345 HydrophobicContact CE2-CB 3.44Å; F236-V345 VanDerWaalsContact CE2-CB 3.44Å; F236-V345 HydrophobicContact CE2-CG1 3.45Å; F236-V345 VanDerWaalsContact CE2-CG1 3.45Å; F236-V345 HydrophobicContact CE2-CG2 3.93Å; F236-V345 HydrophobicContact CG-CG1 4.43Å; F236-V345 HydrophobicContact CZ-CB 3.73Å; F236-V345 HydrophobicContact CZ-CG1 4.05Å; F236-V345 HydrophobicContact CZ-CG2 3.67Å
237	L	89.6	Confident	85.9	Confident	84 Å²	84	59.6 Å²	59.6	44%	0.44	28%	0.283	S	S	.	.			trans	-113.3	146.3	-178.1	-62.5	179.3	0	0	0	110	D235 Y297 V345	D235-L237 HydrophobicContact CB-CD2 4.1Å; D235-L237 HydrophobicContact CB-CG 4.17Å; D235-L237 PolarHBondContact O-N 2.93Å; L237-Y297 HydrophobicContact CD2-CE1 4.14Å; L237-V345 WeakPolarHBondContact O-CG2 3.22Å
238	P	83.7	Confident	84.8	Confident	23 Å²	23	58.6 Å²	58.6	15%	0.149	28%	0.28	C	S	.	.			trans	-60.8	140	177.9	22.8	-31.4	0	0	0	111.8	R240 W245 S256 M257 L284 Q304	P238-R240 VanDerWaalsContact C-N 3.28Å; P238-R240 PolarHBondContact O-N 3.4Å; P238-W245 HydrophobicContact CG-CZ2 3.89Å; P238-S256 VanDerWaalsContact CB-CB 3.47Å; P238-S256 WeakPolarHBondContact CB-O 3.36Å; P238-S256 WeakPolarHBondContact CB-OG 3.48Å; P238-M257 HydrophobicContact CB-CG 3.77Å; P238-M257 HydrophobicContact CB-SD 4.45Å; P238-L284 HydrophobicContact CB-CD1 4.13Å; P238-Q304 HydrophobicContact CG-CB 4.42Å
239	S	78	Confident	83.6	Confident	53 Å²	53	62.5 Å²	62.5	37%	0.371	31%	0.307	S	S	.	.	S	Bend	trans	-68.3	-27.8	178.3	62.1	0	0	0	0	112.6	Q344	S239-Q344 PolarHBondContact OG-OE1 3.24Å; S239-Q344 VanDerWaalsContact OG-OE1 3.07Å
240	R	75.9	Confident	82.6	Confident	79 Å²	79	60.9 Å²	60.9	30%	0.298	30%	0.302	S	S	.	.	S	Bend	trans	-87.1	134.4	-178.8	-66.1	-175.9	65.8	153.7	-5.7	111.6	P238 A244 W245 D258	P238-R240 VanDerWaalsContact C-N 3.28Å; P238-R240 PolarHBondContact O-N 3.4Å; R240-A244 HydrophobicContact CB-CB 4.42Å; R240-A244 PolarHBondContact NE-O 2.84Å; R240-A244 VanDerWaalsContact NE-O 3.12Å; R240-A244 PolarHBondContact NH2-O 2.54Å; R240-W245 PolarHBondContact O-NE1 2.93Å; R240-D258 WeakPolarHBondContact CD-OD1 3.39Å; R240-D258 IonicContact CZ-OD1 2.93Å; R240-D258 IonicContact CZ-OD2 3.91Å; R240-D258 IonicContact NE-OD1 3.07Å; R240-D258 IonicContact NH1-OD1 3.54Å; R240-D258 PolarHBondContact NH1-OD1 3.41Å; R240-D258 IonicContact NH1-OD2 3.4Å; R240-D258 PolarHBondContact NH1-OD2 2.81Å
241	P	77.8	Confident	81.3	Confident	59 Å²	59	61.6 Å²	61.6	38%	0.383	31%	0.305	S	S	.	.			trans	-66.5	154.1	173.1	29.8	-34.9	0	0	0	110.8	Y243 A244	P241-Y243 HydrophobicContact CB-CD1 3.78Å; P241-Y243 HydrophobicContact CB-CE1 3.4Å; P241-Y243 HydrophobicContact CG-CD1 3.89Å; P241-Y243 HydrophobicContact CG-CE1 3.21Å; P241-Y243 HydrophobicContact CG-CE2 3.95Å; P241-Y243 WeakPolarHBondContact CG-OH 3.46Å; P241-Y243 PolarHBondContact O-N 3.07Å; P241-Y243 VanDerWaalsContact O-N 3.07Å; P241-A244 HydrophobicContact CG-CB 4.21Å; P241-A244 WeakPolarHBondContact O-CA 3.5Å; P241-A244 WeakPolarHBondContact O-CB 3.5Å; P241-A244 PolarHBondContact O-N 3.44Å
242	R	75.4	Confident	80.2	Confident	151 Å²	151	62.1 Å²	62.1	57%	0.57	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-54.1	-33.5	-172.3	-174	172.7	177	144.1	-2.4	115.3	A244 W245 H302	R242-A244 PolarHBondContact O-N 3.39Å; R242-W245 HydrophobicContact CB-CD2 4.43Å; R242-W245 HydrophobicContact CB-CZ2 4.45Å; R242-W245 HydrophobicContact CG-CD2 4.2Å; R242-W245 HydrophobicContact CG-CE3 4.09Å; R242-W245 HydrophobicContact CG-CH2 4.48Å; R242-W245 HydrophobicContact CG-CZ3 4.24Å; R242-W245 PolarHBondContact O-N 3.08Å; R242-H302 PolarHBondContact NH1-O 3.22Å
243	Y	75.6	Confident	79.3	Confident	208 Å²	208	63.8 Å²	63.8	82%	0.816	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-68.4	-16.2	178.2	66.3	-101.3	0	0	0	113.4	P241	P241-Y243 HydrophobicContact CB-CD1 3.78Å; P241-Y243 HydrophobicContact CB-CE1 3.4Å; P241-Y243 HydrophobicContact CG-CD1 3.89Å; P241-Y243 HydrophobicContact CG-CE1 3.21Å; P241-Y243 HydrophobicContact CG-CE2 3.95Å; P241-Y243 WeakPolarHBondContact CG-OH 3.46Å; P241-Y243 PolarHBondContact O-N 3.07Å; P241-Y243 VanDerWaalsContact O-N 3.07Å
244	A	78.4	Confident	78.6	Confident	20 Å²	20	63.1 Å²	63.1	17%	0.165	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-102.2	5.6	-178.7	0	0	0	0	0	111.8	R240 P241 R242	R240-A244 HydrophobicContact CB-CB 4.42Å; R240-A244 PolarHBondContact NE-O 2.84Å; R240-A244 VanDerWaalsContact NE-O 3.12Å; R240-A244 PolarHBondContact NH2-O 2.54Å; P241-A244 HydrophobicContact CG-CB 4.21Å; P241-A244 WeakPolarHBondContact O-CA 3.5Å; P241-A244 WeakPolarHBondContact O-CB 3.5Å; P241-A244 PolarHBondContact O-N 3.44Å; R242-A244 PolarHBondContact O-N 3.39Å
245	W	79.9	Confident	77.9	Confident	33 Å²	33	63 Å²	63	13%	0.125	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-72.2	138.1	175.5	-64.2	-0.2	0	0	0	110.1	P238 R240 R242 F254 H255 S256 Q304	P238-W245 HydrophobicContact CG-CZ2 3.89Å; R240-W245 PolarHBondContact O-NE1 2.93Å; R242-W245 HydrophobicContact CB-CD2 4.43Å; R242-W245 HydrophobicContact CB-CZ2 4.45Å; R242-W245 HydrophobicContact CG-CD2 4.2Å; R242-W245 HydrophobicContact CG-CE3 4.09Å; R242-W245 HydrophobicContact CG-CH2 4.48Å; R242-W245 HydrophobicContact CG-CZ3 4.24Å; R242-W245 PolarHBondContact O-N 3.08Å; W245-F254 HydrophobicContact CB-CB 4.1Å; W245-F254 HydrophobicContact CB-CD1 3.81Å; W245-F254 HydrophobicContact CB-CG 4.25Å; W245-F254 HydrophobicContact CE3-CB 3.9Å; W245-F254 HydrophobicContact CE3-CG 4.37Å; W245-H255 WeakPolarHBondContact CA-O 3Å; W245-S256 VanDerWaalsContact CE2-CB 3.49Å; W245-Q304 HydrophobicContact CH2-CB 3.74Å; W245-Q304 HydrophobicContact CH2-CG 3.76Å; W245-Q304 HydrophobicContact CZ2-CB 4.2Å; W245-Q304 HydrophobicContact CZ3-CB 4.37Å; W245-Q304 HydrophobicContact CZ3-CG 3.88Å
246	E	77.2	Confident	77.1	Confident	114 Å²	114	61.4 Å²	61.4	53%	0.533	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	134.4	-179.5	-172.2	166.7	178	0	0	109.7	H248 F254 H255	E246-H248 PolarHBondContact O-CD2 3.49Å; E246-F254 CarbonylContact O-C 3.48Å; E246-F254 VanDerWaalsContact O-CA 3.25Å; E246-F254 WeakPolarHBondContact O-CA 3.25Å; E246-H255 PolarHBondContact N-O 2.87Å; E246-H255 PolarHBondContact O-N 2.87Å
247	W	76.6	Confident	76.4	Confident	112 Å²	112	61.6 Å²	61.6	42%	0.424	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	124.7	175.5	174.4	-94.4	0	0	0	109.8	N252 F254	W247-N252 HydrophobicContact CH2-CB 4.26Å; W247-N252 WeakPolarHBondContact CH2-O 3.27Å; W247-N252 HydrophobicContact CZ2-CB 4.1Å; W247-F254 HydrophobicContact CB-CD1 4.13Å; W247-F254 HydrophobicContact CB-CE1 3.8Å; W247-F254 HydrophobicContact CB-CZ 4.34Å; W247-F254 HydrophobicContact CE3-CD1 4.32Å; W247-F254 AromaticContact CE3-CD2 3.74Å; W247-F254 HydrophobicContact CE3-CD2 3.74Å; W247-F254 HydrophobicContact CE3-CE1 4.19Å; W247-F254 AromaticContact CE3-CE2 3.58Å; W247-F254 HydrophobicContact CE3-CE2 3.58Å; W247-F254 HydrophobicContact CE3-CG 4.12Å; W247-F254 AromaticContact CE3-CZ 3.81Å; W247-F254 HydrophobicContact CE3-CZ 3.81Å; W247-F254 HydrophobicContact CZ3-CD2 4.07Å; W247-F254 AromaticContact CZ3-CE2 3.96Å; W247-F254 HydrophobicContact CZ3-CE2 3.96Å
248	H	70.8	Confident	75.5	Confident	16 Å²	16	61.3 Å²	61.3	7%	0.074	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	100.7	177.6	-75.7	-95.5	0	0	0	109.6	E203 E246 C250 H251 N252 H253 H255	E203-H248 WeakPolarHBondContact OE1-CB 3.4Å; E203-H248 IonicContact OE1-CG 2.86Å; E203-H248 IonicContact OE1-ND1 3.93Å; E203-H248 PolarHBondContact OE1-ND1 2.84Å; E203-H248 IonicContact OE2-ND1 2.74Å; E203-H248 PolarHBondContact OE2-ND1 2.88Å; E246-H248 PolarHBondContact O-CD2 3.49Å; H248-C250 PolarHBondContact O-N 2.83Å; H248-H251 CarbonylContact O-C 3.53Å; H248-H251 PolarHBondContact O-N 3.14Å; H248-H251 VanDerWaalsContact O-N 3.08Å; H248-N252 PolarHBondContact O-N 3.38Å; H248-H253 PolarHBondContact N-O 2.82Å; H248-H255 AromaticContact CD2-CD2 3.61Å; H248-H255 AromaticContact CD2-CE1 3.42Å; H248-H255 PolarHBondContact CD2-CE1 2.89Å; H248-H255 VanDerWaalsContact CD2-CE1 3.42Å; H248-H255 AromaticContact CD2-CG 3.17Å; H248-H255 AromaticContact CD2-ND1 3.05Å; H248-H255 PolarHBondContact CD2-ND1 2.89Å; H248-H255 AromaticContact CD2-NE2 3.76Å; H248-H255 AromaticContact CE1-CE1 3.59Å; H248-H255 AromaticContact CE1-ND1 3.29Å; H248-H255 PolarHBondContact CE1-ND1 2.9Å; H248-H255 VanDerWaalsContact CE1-ND1 3.29Å; H248-H255 AromaticContact CG-CD2 3.96Å; H248-H255 AromaticContact CG-CE1 3.3Å; H248-H255 AromaticContact CG-CG 3.86Å; H248-H255 AromaticContact CG-ND1 3.46Å; H248-H255 AromaticContact CG-NE2 3.64Å; H248-H255 AromaticContact ND1-CE1 3.42Å; H248-H255 PolarHBondContact ND1-CE1 2.99Å; H248-H255 AromaticContact ND1-ND1 3.59Å; H248-H255 AromaticContact NE2-CE1 3.6Å; H248-H255 AromaticContact NE2-CG 3.41Å; H248-H255 AromaticContact NE2-ND1 2.93Å; H248-H255 PolarHBondContact NE2-ND1 2.89Å
249	S	71.5	Confident	75.2	Confident	83 Å²	83	61 Å²	61	58%	0.58	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-31.4	-178.2	-60.5	0	0	0	0	112.6	H251 N252	S249-H251 VanDerWaalsContact C-N 3.29Å; S249-H251 PolarHBondContact O-N 3.03Å; S249-N252 PolarHBondContact O-OD1 2.82Å
250	C	73.4	Confident	75.7	Confident	15 Å²	15	58.4 Å²	58.4	10%	0.101	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-28.3	179.7	-68.8	0	0	0	0	112.6	Y141 C199 E203 H248	Y141-C250 VanDerWaalsContact CZ-O 3.24Å; Y141-C250 PolarHBondContact OH-O 2.83Å; C199-C250 WeakPolarHBondContact CA-SG 3.27Å; C199-C250 HydrophobicContact CB-CB 3.47Å; C199-C250 VanDerWaalsContact CB-CB 3.47Å; C199-C250 WeakPolarHBondContact CB-SG 3.09Å; C199-C250 WeakPolarHBondContact SG-CB 3.5Å; C199-C250 CovalentContact SG-SG 2.03Å; C199-C250 PolarHBondContact SG-SG 2.7Å; E203-C250 WeakPolarHBondContact OE1-CB 3.32Å; H248-C250 PolarHBondContact O-N 2.83Å
251	H	68.9	Low	76.3	Confident	15 Å²	15	54.7 Å²	54.7	7%	0.069	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.2	1.9	-179.4	-46.5	139	0	0	0	114.5	Y141 E203 H248 S249 H253 H255 D319	Y141-H251 HydrophobicContact CE2-CB 4.16Å; Y141-H251 WeakPolarHBondContact OH-CA 3.49Å; E203-H251 IonicContact OE1-CE1 2.8Å; E203-H251 IonicContact OE1-ND1 2.78Å; E203-H251 IonicContact OE2-CE1 3.14Å; E203-H251 PolarHBondContact OE2-CE1 2.88Å; E203-H251 IonicContact OE2-ND1 3.15Å; H248-H251 CarbonylContact O-C 3.53Å; H248-H251 PolarHBondContact O-N 3.14Å; H248-H251 VanDerWaalsContact O-N 3.08Å; S249-H251 VanDerWaalsContact C-N 3.29Å; S249-H251 PolarHBondContact O-N 3.03Å; H251-H253 WeakPolarHBondContact CB-CE1 3.17Å; H251-H253 WeakPolarHBondContact CB-ND1 3.22Å; H251-H253 PolarHBondContact O-N 2.91Å; H251-H253 PolarHBondContact O-ND1 2.89Å; H251-H255 AromaticContact ND1-NE2 4Å; H251-D319 VanDerWaalsContact NE2-CB 3.27Å; H251-D319 WeakPolarHBondContact NE2-CB 2.96Å
252	N	72.5	Confident	77	Confident	105 Å²	105	53.3 Å²	53.3	56%	0.561	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.8	39.1	179.2	-65	-63.3	0	0	0	114.4	Y141 W247 H248 S249	Y141-N252 PolarHBondContact OH-ND2 2.97Å; W247-N252 HydrophobicContact CH2-CB 4.26Å; W247-N252 WeakPolarHBondContact CH2-O 3.27Å; W247-N252 HydrophobicContact CZ2-CB 4.1Å; H248-N252 PolarHBondContact O-N 3.38Å; S249-N252 PolarHBondContact O-OD1 2.82Å
253	H	73.4	Confident	77.9	Confident	46 Å²	46	46.1 Å²	46.1	21%	0.213	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	171.7	174.4	66.4	-101.3	0	0	0	112.2	H248 H251 H255 C283	H248-H253 PolarHBondContact N-O 2.82Å; H251-H253 WeakPolarHBondContact CB-CE1 3.17Å; H251-H253 WeakPolarHBondContact CB-ND1 3.22Å; H251-H253 PolarHBondContact O-N 2.91Å; H251-H253 PolarHBondContact O-ND1 2.89Å; H253-H255 AromaticContact CD2-CD2 3.65Å; H253-H255 AromaticContact CD2-NE2 3.97Å; H253-H255 AromaticContact NE2-CD2 3.45Å; H253-H255 PolarHBondContact NE2-CD2 2.85Å; H253-H255 AromaticContact NE2-NE2 3.38Å; H253-H255 PolarHBondContact NE2-NE2 3.35Å; H253-C283 WeakPolarHBondContact CD2-CB 3.49Å; H253-C283 WeakPolarHBondContact NE2-CB 3.42Å
254	F	76.8	Confident	78.8	Confident	68 Å²	68	37.2 Å²	37.2	30%	0.298	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	135.2	179.2	-76.6	-79.5	0	0	0	112.1	W245 E246 W247 Q304	W245-F254 HydrophobicContact CB-CB 4.1Å; W245-F254 HydrophobicContact CB-CD1 3.81Å; W245-F254 HydrophobicContact CB-CG 4.25Å; W245-F254 HydrophobicContact CE3-CB 3.9Å; W245-F254 HydrophobicContact CE3-CG 4.37Å; E246-F254 CarbonylContact O-C 3.48Å; E246-F254 VanDerWaalsContact O-CA 3.25Å; E246-F254 WeakPolarHBondContact O-CA 3.25Å; W247-F254 HydrophobicContact CB-CD1 4.13Å; W247-F254 HydrophobicContact CB-CE1 3.8Å; W247-F254 HydrophobicContact CB-CZ 4.34Å; W247-F254 HydrophobicContact CE3-CD1 4.32Å; W247-F254 AromaticContact CE3-CD2 3.74Å; W247-F254 HydrophobicContact CE3-CD2 3.74Å; W247-F254 HydrophobicContact CE3-CE1 4.19Å; W247-F254 AromaticContact CE3-CE2 3.58Å; W247-F254 HydrophobicContact CE3-CE2 3.58Å; W247-F254 HydrophobicContact CE3-CG 4.12Å; W247-F254 AromaticContact CE3-CZ 3.81Å; W247-F254 HydrophobicContact CE3-CZ 3.81Å; W247-F254 HydrophobicContact CZ3-CD2 4.07Å; W247-F254 AromaticContact CZ3-CE2 3.96Å; W247-F254 HydrophobicContact CZ3-CE2 3.96Å; F254-Q304 PolarHBondContact O-NE2 3.42Å
255	H	77.6	Confident	79.7	Confident	6 Å²	6	36.5 Å²	36.5	3%	0.028	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	124.6	164.4	-67.8	177.6	0	0	0	109.2	W245 E246 H248 H251 H253 S281	W245-H255 WeakPolarHBondContact CA-O 3Å; E246-H255 PolarHBondContact N-O 2.87Å; E246-H255 PolarHBondContact O-N 2.87Å; H248-H255 AromaticContact CD2-CD2 3.61Å; H248-H255 AromaticContact CD2-CE1 3.42Å; H248-H255 PolarHBondContact CD2-CE1 2.89Å; H248-H255 VanDerWaalsContact CD2-CE1 3.42Å; H248-H255 AromaticContact CD2-CG 3.17Å; H248-H255 AromaticContact CD2-ND1 3.05Å; H248-H255 PolarHBondContact CD2-ND1 2.89Å; H248-H255 AromaticContact CD2-NE2 3.76Å; H248-H255 AromaticContact CE1-CE1 3.59Å; H248-H255 AromaticContact CE1-ND1 3.29Å; H248-H255 PolarHBondContact CE1-ND1 2.9Å; H248-H255 VanDerWaalsContact CE1-ND1 3.29Å; H248-H255 AromaticContact CG-CD2 3.96Å; H248-H255 AromaticContact CG-CE1 3.3Å; H248-H255 AromaticContact CG-CG 3.86Å; H248-H255 AromaticContact CG-ND1 3.46Å; H248-H255 AromaticContact CG-NE2 3.64Å; H248-H255 AromaticContact ND1-CE1 3.42Å; H248-H255 PolarHBondContact ND1-CE1 2.99Å; H248-H255 AromaticContact ND1-ND1 3.59Å; H248-H255 AromaticContact NE2-CE1 3.6Å; H248-H255 AromaticContact NE2-CG 3.41Å; H248-H255 AromaticContact NE2-ND1 2.93Å; H248-H255 PolarHBondContact NE2-ND1 2.89Å; H251-H255 AromaticContact ND1-NE2 4Å; H253-H255 AromaticContact CD2-CD2 3.65Å; H253-H255 AromaticContact CD2-NE2 3.97Å; H253-H255 AromaticContact NE2-CD2 3.45Å; H253-H255 PolarHBondContact NE2-CD2 2.85Å; H253-H255 AromaticContact NE2-NE2 3.38Å; H253-H255 PolarHBondContact NE2-NE2 3.35Å; H255-S281 PolarHBondContact CE1-O 3.25Å; H255-S281 WeakPolarHBondContact ND1-CB 3.16Å; H255-S281 PolarHBondContact ND1-O 3.27Å; H255-S281 VanDerWaalsContact ND1-O 3.11Å; H255-S281 PolarHBondContact ND1-OG 3.5Å
256	S	74.8	Confident	80.5	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.178	C	C	.	.	S	Bend	trans	-93.6	-8	-176.9	62.2	0	0	0	0	113.8	P238 W245 Q304	P238-S256 VanDerWaalsContact CB-CB 3.47Å; P238-S256 WeakPolarHBondContact CB-O 3.36Å; P238-S256 WeakPolarHBondContact CB-OG 3.48Å; W245-S256 VanDerWaalsContact CE2-CB 3.49Å; S256-Q304 VanDerWaalsContact CB-CD 3.47Å; S256-Q304 PolarHBondContact OG-OE1 3.1Å
257	M	75.7	Confident	81.4	Confident	3 Å²	3	31.8 Å²	31.8	2%	0.015	16%	0.162	C	C	.	.			trans	-144	143.9	174.5	-58.8	-157.8	-41.5	0	0	111	F236 P238 F260 S281 L284 V345	F236-M257 HydrophobicContact CE1-CE 3.87Å; F236-M257 HydrophobicContact CE1-SD 3.99Å; F236-M257 HydrophobicContact CZ-CE 4.03Å; F236-M257 HydrophobicContact CZ-SD 4.2Å; P238-M257 HydrophobicContact CB-CG 3.77Å; P238-M257 HydrophobicContact CB-SD 4.45Å; M257-F260 HydrophobicContact CE-CB 3.75Å; M257-F260 HydrophobicContact CE-CD2 3.48Å; M257-F260 VanDerWaalsContact CE-CD2 3.48Å; M257-F260 HydrophobicContact CE-CG 4.09Å; M257-S281 WeakPolarHBondContact O-CB 3.39Å; M257-L284 HydrophobicContact CE-CD1 4.48Å; M257-L284 HydrophobicContact CG-CD1 4.34Å; M257-L284 HydrophobicContact SD-CD1 4.33Å; M257-V345 HydrophobicContact SD-CG2 4.19Å
258	D	70.6	Confident	82.3	Confident	78 Å²	78	27.9 Å²	27.9	42%	0.417	15%	0.154	S	C	.	.	S	Bend	trans	-75.5	-25.9	-178.2	-53.8	-21.3	0	0	0	112.5	R240	R240-D258 WeakPolarHBondContact CD-OD1 3.39Å; R240-D258 IonicContact CZ-OD1 2.93Å; R240-D258 IonicContact CZ-OD2 3.91Å; R240-D258 IonicContact NE-OD1 3.07Å; R240-D258 IonicContact NH1-OD1 3.54Å; R240-D258 PolarHBondContact NH1-OD1 3.41Å; R240-D258 IonicContact NH1-OD2 3.4Å; R240-D258 PolarHBondContact NH1-OD2 2.81Å
259	E	79.3	Confident	83.5	Confident	16 Å²	16	38 Å²	38	8%	0.075	19%	0.191	C	C	.	.			trans	-150.7	87.6	-174.4	-167.8	170.2	-174.9	0	0	109.5	K279 P341 R342	E259-K279 HydrophobicContact CG-CB 4.39Å; E259-K279 HydrophobicContact CG-CD 4.45Å; E259-K279 HydrophobicContact CG-CG 4.24Å; E259-P341 HydrophobicContact CG-CG 3.91Å; E259-R342 IonicContact OE2-CZ 2.7Å; E259-R342 IonicContact OE2-NE 3.17Å; E259-R342 PolarHBondContact OE2-NE 3.26Å; E259-R342 IonicContact OE2-NH2 3.59Å; E259-R342 PolarHBondContact OE2-NH2 3.27Å
260	F	86.8	Confident	84.6	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.19	C	C	.	.	S	Bend	trans	-81.5	-45.2	174.6	175.2	-117.7	0	0	0	111.1	L176 V228 F236 M257 A280 L284 Y314 V339 N340	L176-F260 HydrophobicContact CD1-CE2 3.73Å; L176-F260 HydrophobicContact CD1-CZ 4.32Å; V228-F260 HydrophobicContact CB-CE1 4.43Å; V228-F260 HydrophobicContact CB-CZ 4.12Å; V228-F260 HydrophobicContact CG1-CZ 4.09Å; V228-F260 HydrophobicContact CG2-CE1 3.9Å; V228-F260 HydrophobicContact CG2-CZ 4Å; F236-F260 HydrophobicContact CE1-CD2 4.29Å; F236-F260 HydrophobicContact CE1-CE2 4.08Å; F236-F260 HydrophobicContact CZ-CE2 4.44Å; M257-F260 HydrophobicContact CE-CB 3.75Å; M257-F260 HydrophobicContact CE-CD2 3.48Å; M257-F260 VanDerWaalsContact CE-CD2 3.48Å; M257-F260 HydrophobicContact CE-CG 4.09Å; F260-A280 PolarHBondContact N-O 3.1Å; F260-A280 VanDerWaalsContact N-O 3.12Å; F260-L284 HydrophobicContact CD2-CD2 3.71Å; F260-L284 HydrophobicContact CE2-CD2 3.59Å; F260-L284 HydrophobicContact CG-CD2 4.22Å; F260-L284 HydrophobicContact CZ-CD2 4.02Å; F260-Y314 HydrophobicContact CD1-CE2 4.35Å; F260-Y314 HydrophobicContact CE1-CE2 4.16Å; F260-V339 HydrophobicContact CE2-CG1 4.05Å; F260-V339 HydrophobicContact CZ-CG1 4.06Å; F260-N340 PolarHBondContact O-N 2.84Å
261	S	90.4	Very high	85.6	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	146.6	177.1	52	0	0	0	0	111.7	Q226 Y263 A280 T338	Q226-S261 PolarHBondContact OE1-OG 3.04Å; S261-Y263 VanDerWaalsContact OG-CE1 3.31Å; S261-Y263 WeakPolarHBondContact OG-CE1 3.42Å; S261-Y263 PolarHBondContact OG-OH 2.83Å; S261-A280 PolarHBondContact N-O 2.71Å; S261-A280 PolarHBondContact O-N 2.9Å; S261-A280 VanDerWaalsContact O-N 3.07Å; S261-T338 CarbonylContact C-O 3.53Å; S261-T338 VanDerWaalsContact CA-O 3.26Å; S261-T338 WeakPolarHBondContact CA-O 3.22Å
262	L	92.1	Very high	86.8	Confident	30 Å²	30	46.5 Å²	46.5	16%	0.157	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	124.3	173.1	178.3	67.5	0	0	0	108.9	E264 K279 T338 P341	L262-E264 HydrophobicContact CD1-CG 4.47Å; L262-E264 HydrophobicContact CD2-CG 4.04Å; L262-E264 HydrophobicContact CG-CG 3.83Å; L262-K279 HydrophobicContact CD1-CG 4.02Å; L262-T338 PolarHBondContact N-O 2.92Å; L262-T338 PolarHBondContact O-N 2.97Å; L262-P341 HydrophobicContact CB-CB 4.07Å; L262-P341 HydrophobicContact CB-CG 3.93Å; L262-P341 HydrophobicContact CD2-CB 4.42Å
263	Y	94.1	Very high	87.9	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	121.2	179.2	-53	-31.8	0	0	0	110.2	F224 Q226 S261 G277 H278 A280 F282 Q321 V337	F224-Y263 HydrophobicContact CE1-CD2 4.42Å; F224-Y263 HydrophobicContact CE2-CD1 4.06Å; F224-Y263 HydrophobicContact CE2-CD2 4.47Å; F224-Y263 AromaticContact CE2-CE1 3.82Å; F224-Y263 HydrophobicContact CE2-CE1 3.82Å; F224-Y263 HydrophobicContact CE2-CE2 4.27Å; F224-Y263 HydrophobicContact CE2-CG 4.37Å; F224-Y263 AromaticContact CE2-CZ 3.92Å; F224-Y263 AromaticContact CZ-CD1 3.71Å; F224-Y263 HydrophobicContact CZ-CD1 3.71Å; F224-Y263 AromaticContact CZ-CD2 3.63Å; F224-Y263 HydrophobicContact CZ-CD2 3.63Å; F224-Y263 AromaticContact CZ-CE1 3.86Å; F224-Y263 HydrophobicContact CZ-CE1 3.86Å; F224-Y263 AromaticContact CZ-CE2 3.79Å; F224-Y263 HydrophobicContact CZ-CE2 3.79Å; F224-Y263 AromaticContact CZ-CG 3.58Å; F224-Y263 HydrophobicContact CZ-CG 3.58Å; F224-Y263 AromaticContact CZ-CZ 3.89Å; Q226-Y263 PolarHBondContact OE1-OH 2.81Å; S261-Y263 VanDerWaalsContact OG-CE1 3.31Å; S261-Y263 WeakPolarHBondContact OG-CE1 3.42Å; S261-Y263 PolarHBondContact OG-OH 2.83Å; Y263-G277 CarbonylContact O-C 3.59Å; Y263-G277 WeakPolarHBondContact O-CA 3.33Å; Y263-H278 HydrophobicContact CD2-CB 4.19Å; Y263-H278 AromaticContact CD2-CD2 3.89Å; Y263-H278 PolarHBondContact N-O 3.43Å; Y263-H278 PolarHBondContact O-N 3.36Å; Y263-H278 VanDerWaalsContact O-N 3.08Å; Y263-A280 HydrophobicContact CD2-CB 4.39Å; Y263-A280 HydrophobicContact CE2-CB 3.66Å; Y263-F282 WeakPolarHBondContact OH-CE2 3.4Å; Y263-Q321 PolarHBondContact OH-NE2 3.49Å; Y263-Q321 PolarHBondContact OH-OE1 3.03Å; Y263-V337 HydrophobicContact CD1-CB 4.41Å; Y263-V337 HydrophobicContact CD1-CG1 3.92Å; Y263-V337 HydrophobicContact CD1-CG2 4.02Å; Y263-V337 HydrophobicContact CE1-CG1 3.82Å; Y263-V337 HydrophobicContact CE1-CG2 4.43Å
264	E	94.9	Very high	88.9	Confident	22 Å²	22	47.3 Å²	47.3	10%	0.103	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	134.8	-176.7	-50.3	-179.9	114	0	0	109.4	L262 L266 H273 K336	L262-E264 HydrophobicContact CD1-CG 4.47Å; L262-E264 HydrophobicContact CD2-CG 4.04Å; L262-E264 HydrophobicContact CG-CG 3.83Å; E264-L266 HydrophobicContact CB-CD2 4.25Å; E264-H273 IonicContact OE1-CE1 3.15Å; E264-H273 PolarHBondContact OE1-CE1 3.21Å; E264-H273 IonicContact OE1-ND1 3.79Å; E264-K336 HydrophobicContact CB-CB 4.32Å; E264-K336 PolarHBondContact N-O 2.65Å; E264-K336 PolarHBondContact O-N 2.89Å; E264-K336 VanDerWaalsContact OE2-CD 3.3Å; E264-K336 WeakPolarHBondContact OE2-CD 3.27Å; E264-K336 WeakPolarHBondContact OE2-CE 3.21Å; E264-K336 IonicContact OE2-NZ 2.98Å; E264-K336 PolarHBondContact OE2-NZ 2.77Å
265	L	96.2	Very high	89.6	Confident	4 Å²	4	44.8 Å²	44.8	2%	0.021	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	118.8	168.3	-166.9	69.2	0	0	0	108.2	L222 V274 A275 I323 I325 V328 Y333 V359	L222-L265 HydrophobicContact CD2-CD1 4.3Å; L265-V274 HydrophobicContact CB-CG2 4.03Å; L265-V274 HydrophobicContact CD2-CG2 3.87Å; L265-V274 HydrophobicContact CG-CG2 3.76Å; L265-V274 VanDerWaalsContact O-CG2 3.27Å; L265-V274 WeakPolarHBondContact O-CG2 3.3Å; L265-V274 PolarHBondContact O-N 3.37Å; L265-A275 HydrophobicContact CB-CB 4.05Å; L265-A275 HydrophobicContact CD2-CB 4.44Å; L265-I323 HydrophobicContact CB-CD1 4.12Å; L265-I323 HydrophobicContact CB-CG2 4.43Å; L265-I325 HydrophobicContact CD2-CG2 3.73Å; L265-V328 HydrophobicContact CD2-CG1 4.23Å; L265-V328 HydrophobicContact CD2-CG2 4.4Å; L265-Y333 HydrophobicContact CD1-CG 4.4Å; L265-Y333 HydrophobicContact CD2-CG 4.34Å; L265-Y333 HydrophobicContact CG-CD1 4.49Å; L265-Y333 HydrophobicContact CG-CG 4.26Å; L265-V359 HydrophobicContact CD1-CG2 4.47Å
266	L	96.6	Very high	90.1	Very high	12 Å²	12	49.2 Å²	49.2	6%	0.063	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	143.4	-176.5	-50.1	177	0	0	0	110.2	E264 S272 H273 Y333 I334 K336	E264-L266 HydrophobicContact CB-CD2 4.25Å; L266-S272 CarbonylContact C-O 3.53Å; L266-S272 VanDerWaalsContact CA-O 3.27Å; L266-S272 WeakPolarHBondContact CA-O 3.21Å; L266-H273 WeakPolarHBondContact CD2-ND1 3.49Å; L266-Y333 CarbonylContact O-C 3.55Å; L266-Y333 WeakPolarHBondContact O-CA 3.48Å; L266-Y333 WeakPolarHBondContact O-CB 3.34Å; L266-I334 HydrophobicContact CB-CB 4.3Å; L266-I334 PolarHBondContact N-O 3.1Å; L266-I334 PolarHBondContact O-N 2.74Å; L266-K336 HydrophobicContact CD1-CB 4.25Å; L266-K336 HydrophobicContact CD1-CD 4.12Å
267	D	96.6	Very high	89.8	Confident	36 Å²	36	50.8 Å²	50.8	19%	0.193	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	132.3	169	175.7	-102.3	0	0	0	110.7	R269 T270 Y271 S272 V274	D267-R269 PolarHBondContact O-N 2.58Å; D267-R269 VanDerWaalsContact O-N 3.16Å; D267-R269 WeakPolarHBondContact OD1-CB 3.36Å; D267-R269 PolarHBondContact OD1-N 3.32Å; D267-T270 VanDerWaalsContact CB-OG1 3.29Å; D267-T270 WeakPolarHBondContact CB-OG1 3.26Å; D267-T270 WeakPolarHBondContact OD1-CB 3.21Å; D267-T270 PolarHBondContact OD1-N 3.36Å; D267-T270 PolarHBondContact OD1-OG1 3.01Å; D267-Y271 VanDerWaalsContact O-CA 3.24Å; D267-Y271 WeakPolarHBondContact O-CA 3.43Å; D267-Y271 PolarHBondContact O-N 3.47Å; D267-S272 PolarHBondContact N-O 2.78Å; D267-V274 HydrophobicContact CB-CG1 3.66Å
268	A	95.4	Very high	90	Very high	31 Å²	31	51.1 Å²	51.1	26%	0.256	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-16.2	-173.7	0	0	0	0	0	114.3	K332 I334	A268-K332 HydrophobicContact CB-CB 4.03Å; A268-K332 WeakPolarHBondContact CB-O 3.19Å; A268-K332 PolarHBondContact N-O 3.07Å; A268-K332 VanDerWaalsContact N-O 3.17Å; A268-I334 HydrophobicContact CB-CG1 4.35Å
269	R	95.2	Very high	89.8	Confident	229 Å²	229	52.6 Å²	52.6	86%	0.864	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.2	-45.7	-179.4	-59.1	-178.1	-176.3	-167	1.9	111.8	D267	D267-R269 PolarHBondContact O-N 2.58Å; D267-R269 VanDerWaalsContact O-N 3.16Å; D267-R269 WeakPolarHBondContact OD1-CB 3.36Å; D267-R269 PolarHBondContact OD1-N 3.32Å
270	T	95.4	Very high	89.2	Confident	90 Å²	90	51.9 Å²	51.9	55%	0.552	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	-15.7	-172.3	61.5	0	0	0	0	113	D267 S272	D267-T270 VanDerWaalsContact CB-OG1 3.29Å; D267-T270 WeakPolarHBondContact CB-OG1 3.26Å; D267-T270 WeakPolarHBondContact OD1-CB 3.21Å; D267-T270 PolarHBondContact OD1-N 3.36Å; D267-T270 PolarHBondContact OD1-OG1 3.01Å; T270-S272 PolarHBondContact O-N 2.88Å; T270-S272 VanDerWaalsContact O-N 3.14Å; T270-S272 PolarHBondContact OG1-N 2.76Å; T270-S272 PolarHBondContact OG1-OG 3.5Å
271	Y	94.2	Very high	88.3	Confident	142 Å²	142	53.1 Å²	53.1	56%	0.557	27%	0.269	S	S	*	.			trans	56.9	19.9	-172.5	-60.4	-90.2	0	0	0	113.8	D267 I334	D267-Y271 VanDerWaalsContact O-CA 3.24Å; D267-Y271 WeakPolarHBondContact O-CA 3.43Å; D267-Y271 PolarHBondContact O-N 3.47Å; Y271-I334 HydrophobicContact CD1-CD1 3.81Å; Y271-I334 HydrophobicContact CE1-CD1 3.35Å
272	S	95.3	Very high	87.5	Confident	59 Å²	59	53.4 Å²	53.4	41%	0.413	27%	0.271	S	S	.	.			trans	-84.1	149	176.3	63.2	0	0	0	0	111.1	L266 D267 T270 V274	L266-S272 CarbonylContact C-O 3.53Å; L266-S272 VanDerWaalsContact CA-O 3.27Å; L266-S272 WeakPolarHBondContact CA-O 3.21Å; D267-S272 PolarHBondContact N-O 2.78Å; T270-S272 PolarHBondContact O-N 2.88Å; T270-S272 VanDerWaalsContact O-N 3.14Å; T270-S272 PolarHBondContact OG1-N 2.76Å; T270-S272 PolarHBondContact OG1-OG 3.5Å; S272-V274 PolarHBondContact O-N 2.89Å
273	H	94.3	Very high	87	Confident	117 Å²	117	52.1 Å²	52.1	54%	0.542	26%	0.264	S	S	.	.	B	Isolated β-bridge	trans	-66	124.8	175.4	-58	-85.9	0	0	0	110	E264 L266	E264-H273 IonicContact OE1-CE1 3.15Å; E264-H273 PolarHBondContact OE1-CE1 3.21Å; E264-H273 IonicContact OE1-ND1 3.79Å; L266-H273 WeakPolarHBondContact CD2-ND1 3.49Å
274	V	95	Very high	86.7	Confident	51 Å²	51	52.1 Å²	52.1	31%	0.309	26%	0.264	S	S	.	.			trans	-106.9	-18	-179.7	-65.7	0	0	0	0	113.8	L265 D267 S272 V328 Y333	L265-V274 HydrophobicContact CB-CG2 4.03Å; L265-V274 HydrophobicContact CD2-CG2 3.87Å; L265-V274 HydrophobicContact CG-CG2 3.76Å; L265-V274 VanDerWaalsContact O-CG2 3.27Å; L265-V274 WeakPolarHBondContact O-CG2 3.3Å; L265-V274 PolarHBondContact O-N 3.37Å; D267-V274 HydrophobicContact CB-CG1 3.66Å; S272-V274 PolarHBondContact O-N 2.89Å; V274-V328 HydrophobicContact CG2-CG1 4.38Å; V274-Y333 HydrophobicContact CB-CE1 4.26Å; V274-Y333 HydrophobicContact CG1-CD1 4.37Å; V274-Y333 HydrophobicContact CG1-CE1 4.06Å; V274-Y333 HydrophobicContact CG2-CD1 3.62Å; V274-Y333 HydrophobicContact CG2-CE1 3.77Å
275	A	91.2	Very high	86.4	Confident	14 Å²	14	51.9 Å²	51.9	12%	0.116	26%	0.263	C	S	.	.	S	Bend	trans	-123.2	151.8	175.1	0	0	0	0	0	109.2	L265 G277 I323 V328	L265-A275 HydrophobicContact CB-CB 4.05Å; L265-A275 HydrophobicContact CD2-CB 4.44Å; A275-G277 PolarHBondContact O-N 3.44Å; A275-I323 HydrophobicContact CB-CG2 3.66Å; A275-V328 HydrophobicContact CB-CG2 3.96Å
276	E	87.2	Confident	86.2	Confident	99 Å²	99	51.7 Å²	51.7	46%	0.463	26%	0.262	S	S	.	.			trans	-62.5	110.2	168	-169.4	169.3	167.3	0	0	107.6	A207 S208 H278	A207-E276 HydrophobicContact CB-CB 4.27Å; S208-E276 WeakPolarHBondContact CB-OE2 3.48Å; S208-E276 PolarHBondContact N-OE2 3.5Å; S208-E276 PolarHBondContact OG-OE2 3.41Å; E276-H278 PolarHBondContact O-N 3.21Å
277	G	69.8	Low	85.9	Confident	33 Å²	33	51.5 Å²	51.5	34%	0.34	26%	0.261	S	S	.	.			trans	-59.8	136	-176.5	0	0	0	0	0	110.4	Y263 A275	Y263-G277 CarbonylContact O-C 3.59Å; Y263-G277 WeakPolarHBondContact O-CA 3.33Å; A275-G277 PolarHBondContact O-N 3.44Å
278	H	79.6	Confident	85.6	Confident	11 Å²	11	51.8 Å²	51.8	5%	0.051	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	128.9	179.8	-175.3	49	0	0	0	109.7	C205 Y263 E276 C320 W322	C205-H278 WeakPolarHBondContact CA-CE1 3.44Å; C205-H278 WeakPolarHBondContact CA-ND1 3.33Å; C205-H278 WeakPolarHBondContact CB-CE1 3.31Å; C205-H278 PolarHBondContact SG-CE1 2.92Å; Y263-H278 HydrophobicContact CD2-CB 4.19Å; Y263-H278 AromaticContact CD2-CD2 3.89Å; Y263-H278 PolarHBondContact N-O 3.43Å; Y263-H278 PolarHBondContact O-N 3.36Å; Y263-H278 VanDerWaalsContact O-N 3.08Å; E276-H278 PolarHBondContact O-N 3.21Å; H278-C320 PolarHBondContact CD2-O 2.88Å; H278-C320 PolarHBondContact NE2-O 2.99Å; H278-W322 PolarHBondContact CD2-O 3Å
279	K	66.9	Low	85.5	Confident	109 Å²	109	52 Å²	52	47%	0.474	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	115.3	172.8	-68.3	175.2	-179.1	165.5	0	107.5	E259 L262	E259-K279 HydrophobicContact CG-CB 4.39Å; E259-K279 HydrophobicContact CG-CD 4.45Å; E259-K279 HydrophobicContact CG-CG 4.24Å; L262-K279 HydrophobicContact CD1-CG 4.02Å
280	A	66.9	Low	85.3	Confident	1 Å²	1	43.1 Å²	43.1	1%	0.008	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	108.3	-179.2	0	0	0	0	0	109.3	F260 S261 Y263 F282	F260-A280 PolarHBondContact N-O 3.1Å; F260-A280 VanDerWaalsContact N-O 3.12Å; S261-A280 PolarHBondContact N-O 2.71Å; S261-A280 PolarHBondContact O-N 2.9Å; S261-A280 VanDerWaalsContact O-N 3.07Å; Y263-A280 HydrophobicContact CD2-CB 4.39Å; Y263-A280 HydrophobicContact CE2-CB 3.66Å; A280-F282 HydrophobicContact CB-CD2 3.73Å; A280-F282 HydrophobicContact CB-CE1 4.49Å; A280-F282 HydrophobicContact CB-CE2 3.1Å; A280-F282 HydrophobicContact CB-CZ 3.53Å
281	S	68	Low	85.1	Confident	25 Å²	25	45.1 Å²	45.1	18%	0.175	25%	0.25	C	C	.	.			trans	-84.1	124.7	162.2	53.9	0	0	0	0	107.3	H255 M257	H255-S281 PolarHBondContact CE1-O 3.25Å; H255-S281 WeakPolarHBondContact ND1-CB 3.16Å; H255-S281 PolarHBondContact ND1-O 3.27Å; H255-S281 VanDerWaalsContact ND1-O 3.11Å; H255-S281 PolarHBondContact ND1-OG 3.5Å; M257-S281 WeakPolarHBondContact O-CB 3.39Å
282	F	72.2	Confident	84.7	Confident	6 Å²	6	41.5 Å²	41.5	3%	0.026	26%	0.256	C	S	.	.			trans	-135	166.6	177.9	-66.5	-67.1	0	0	0	111.6	Y263 A280 Y314	Y263-F282 WeakPolarHBondContact OH-CE2 3.4Å; A280-F282 HydrophobicContact CB-CD2 3.73Å; A280-F282 HydrophobicContact CB-CE1 4.49Å; A280-F282 HydrophobicContact CB-CE2 3.1Å; A280-F282 HydrophobicContact CB-CZ 3.53Å; F282-Y314 HydrophobicContact CB-CD1 4.26Å; F282-Y314 HydrophobicContact CB-CE1 3.46Å; F282-Y314 VanDerWaalsContact CB-CE1 3.46Å; F282-Y314 HydrophobicContact CB-CE2 3.78Å; F282-Y314 WeakPolarHBondContact CB-OH 3.4Å; F282-Y314 AromaticContact CD1-CD1 3.79Å; F282-Y314 HydrophobicContact CD1-CD1 3.79Å; F282-Y314 AromaticContact CD1-CE1 3.79Å; F282-Y314 HydrophobicContact CD1-CE1 3.79Å; F282-Y314 HydrophobicContact CD1-CG 4.29Å; F282-Y314 HydrophobicContact CD2-CD1 4.31Å; F282-Y314 AromaticContact CD2-CD2 3.81Å; F282-Y314 HydrophobicContact CD2-CD2 3.81Å; F282-Y314 HydrophobicContact CD2-CE1 4.26Å; F282-Y314 AromaticContact CD2-CE2 3.71Å; F282-Y314 HydrophobicContact CD2-CE2 3.71Å; F282-Y314 HydrophobicContact CD2-CG 4.1Å; F282-Y314 AromaticContact CD2-CZ 3.96Å; F282-Y314 HydrophobicContact CE1-CD1 4.15Å; F282-Y314 HydrophobicContact CE1-CG 4.38Å; F282-Y314 HydrophobicContact CE2-CD2 4.07Å; F282-Y314 HydrophobicContact CE2-CE2 4.43Å; F282-Y314 HydrophobicContact CE2-CG 4.14Å; F282-Y314 AromaticContact CG-CD1 3.9Å; F282-Y314 HydrophobicContact CG-CD1 3.9Å; F282-Y314 HydrophobicContact CG-CD2 4.16Å; F282-Y314 AromaticContact CG-CE1 3.62Å; F282-Y314 HydrophobicContact CG-CE1 3.62Å; F282-Y314 AromaticContact CG-CE2 3.86Å; F282-Y314 HydrophobicContact CG-CE2 3.86Å; F282-Y314 HydrophobicContact CG-CG 4.17Å; F282-Y314 AromaticContact CG-CZ 3.59Å; F282-Y314 HydrophobicContact CZ-CG 4.33Å
283	C	81.9	Confident	84.3	Confident	3 Å²	3	44.6 Å²	44.6	2%	0.02	26%	0.259	C	S	.	.			trans	-82	121.8	171.3	-178.8	0	0	0	0	112.3	H253 E285 C299 Q304 Y314	H253-C283 WeakPolarHBondContact CD2-CB 3.49Å; H253-C283 WeakPolarHBondContact NE2-CB 3.42Å; C283-E285 PolarHBondContact O-N 2.88Å; C283-C299 HydrophobicContact CB-CB 3.98Å; C283-C299 WeakPolarHBondContact CB-SG 3.18Å; C283-C299 WeakPolarHBondContact SG-CA 3.25Å; C283-C299 WeakPolarHBondContact SG-CB 3.48Å; C283-C299 CovalentContact SG-SG 1.98Å; C283-C299 PolarHBondContact SG-SG 3.07Å; C283-Q304 PolarHBondContact SG-OE1 3.28Å; C283-Q304 VanDerWaalsContact SG-OE1 3.32Å; C283-Y314 VanDerWaalsContact C-OH 3.23Å; C283-Y314 PolarHBondContact O-OH 2.8Å
284	L	87.2	Confident	83.9	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	26%	0.261	C	S	.	.			trans	-76.1	113.4	-179.2	-61.7	169.2	0	0	0	110.7	F236 P238 M257 F260 Q304 G305 D312	F236-L284 HydrophobicContact CD1-CD1 3.96Å; F236-L284 HydrophobicContact CD1-CD2 4.38Å; F236-L284 HydrophobicContact CE1-CD1 3.86Å; F236-L284 HydrophobicContact CE1-CD2 4.27Å; P238-L284 HydrophobicContact CB-CD1 4.13Å; M257-L284 HydrophobicContact CE-CD1 4.48Å; M257-L284 HydrophobicContact CG-CD1 4.34Å; M257-L284 HydrophobicContact SD-CD1 4.33Å; F260-L284 HydrophobicContact CD2-CD2 3.71Å; F260-L284 HydrophobicContact CE2-CD2 3.59Å; F260-L284 HydrophobicContact CG-CD2 4.22Å; F260-L284 HydrophobicContact CZ-CD2 4.02Å; L284-Q304 HydrophobicContact CB-CB 4.29Å; L284-Q304 VanDerWaalsContact O-CA 3.31Å; L284-Q304 WeakPolarHBondContact O-CA 3.13Å; L284-G305 CarbonylContact C-O 3.52Å; L284-G305 PolarHBondContact O-N 1.98Å; L284-D312 WeakPolarHBondContact CA-OD2 3.27Å
285	E	89.3	Confident	83.6	Confident	18 Å²	18	45.3 Å²	45.3	8%	0.084	25%	0.252	C	S	.	.			trans	-140.2	157.1	172.8	66.2	168.2	-141.3	0	0	114.9	K137 H139 C283 T287 C299 D312	K137-E285 VanDerWaalsContact NZ-CD 3.34Å; K137-E285 IonicContact NZ-OE1 3.58Å; K137-E285 PolarHBondContact NZ-OE1 3.2Å; K137-E285 VanDerWaalsContact NZ-OE1 3.07Å; K137-E285 IonicContact NZ-OE2 3.98Å; K137-E285 PolarHBondContact NZ-OE2 2.9Å; H139-E285 IonicContact CE1-OE1 3.77Å; H139-E285 IonicContact ND1-OE1 2.66Å; C283-E285 PolarHBondContact O-N 2.88Å; E285-T287 HydrophobicContact CG-CG2 4.09Å; E285-T287 PolarHBondContact O-N 3.43Å; E285-T287 VanDerWaalsContact O-N 3.16Å; E285-C299 WeakPolarHBondContact OE2-CB 3.33Å; E285-C299 PolarHBondContact OE2-N 2.78Å; E285-C299 PolarHBondContact OE2-SG 3.35Å; E285-C299 VanDerWaalsContact OE2-SG 3.41Å; E285-D312 PolarHBondContact N-OD2 3.45Å; E285-D312 VanDerWaalsContact O-CG 3.27Å
286	D	91.5	Very high	83.4	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.261	C	S	.	.			trans	-77.6	100.6	170.2	-63.6	-42.9	0	0	0	107.7	R295 R296 Y297 S307 C310	D286-R295 HydrophobicContact CB-CB 3.87Å; D286-R295 HydrophobicContact CB-CG 3.98Å; D286-R295 PolarHBondContact O-NE 3.37Å; D286-R295 PolarHBondContact O-NH2 2.81Å; D286-R296 PolarHBondContact OD2-N 3.44Å; D286-Y297 PolarHBondContact N-O 3.46Å; D286-Y297 VanDerWaalsContact N-O 3.1Å; D286-Y297 PolarHBondContact OD2-N 3.41Å; D286-S307 VanDerWaalsContact OD1-CB 3.3Å; D286-S307 WeakPolarHBondContact OD1-CB 3.28Å; D286-S307 PolarHBondContact OD1-N 3.11Å; D286-S307 PolarHBondContact OD1-OG 2.7Å; D286-S307 WeakPolarHBondContact OD2-CB 3.35Å; D286-S307 PolarHBondContact OD2-OG 2.94Å; D286-C310 HydrophobicContact CB-CB 4.13Å; D286-C310 VanDerWaalsContact OD1-CB 3.23Å; D286-C310 WeakPolarHBondContact OD1-CB 2.93Å
287	T	90.1	Very high	83.4	Confident	8 Å²	8	45.4 Å²	45.4	5%	0.049	25%	0.246	C	C	.	.			trans	-79.5	-40.5	177.6	60.3	0	0	0	0	112.5	H139 E285 Y311 T313	H139-T287 PolarHBondContact NE2-O 3.43Å; E285-T287 HydrophobicContact CG-CG2 4.09Å; E285-T287 PolarHBondContact O-N 3.43Å; E285-T287 VanDerWaalsContact O-N 3.16Å; T287-Y311 PolarHBondContact N-O 2.95Å; T287-Y311 PolarHBondContact OG1-O 3.38Å; T287-T313 WeakPolarHBondContact OG1-CB 3.36Å; T287-T313 PolarHBondContact OG1-N 3Å; T287-T313 PolarHBondContact OG1-OG1 3.12Å
288	S	91.6	Very high	84.1	Confident	41 Å²	41	43.9 Å²	43.9	29%	0.287	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	161.4	177.6	60.2	0	0	0	0	109.4	C310 Y311	S288-C310 CarbonylContact O-C 3.58Å; S288-C310 WeakPolarHBondContact O-CA 3.39Å; S288-Y311 PolarHBondContact N-O 2.73Å; S288-Y311 PolarHBondContact O-N 3.49Å
289	C	92.6	Very high	84	Confident	35 Å²	35	44.4 Å²	44.4	24%	0.236	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	156.9	177.9	-51	0	0	0	0	111.8	C310	C289-C310 HydrophobicContact CB-CB 3.98Å; C289-C310 WeakPolarHBondContact CB-SG 3.26Å; C289-C310 WeakPolarHBondContact SG-CB 3.46Å; C289-C310 CovalentContact SG-SG 2.04Å; C289-C310 PolarHBondContact SG-SG 3.32Å
290	D	91.4	Very high	84.4	Confident	44 Å²	44	41.8 Å²	41.8	24%	0.235	23%	0.227	C	C	.	.			trans	-60.2	153.9	171	-75.1	-21.2	0	0	0	110.8	K229 G292 Y293 G309 Y311	K229-D290 VanDerWaalsContact CE-OD2 3.27Å; K229-D290 WeakPolarHBondContact CE-OD2 3.41Å; K229-D290 IonicContact NZ-OD1 2.7Å; K229-D290 IonicContact NZ-OD2 3.91Å; K229-D290 PolarHBondContact NZ-OD2 2.85Å; D290-G292 PolarHBondContact O-N 2.03Å; D290-Y293 HydrophobicContact CB-CD2 3.77Å; D290-Y293 HydrophobicContact CB-CE2 4.27Å; D290-Y293 WeakPolarHBondContact O-CB 3.39Å; D290-Y293 PolarHBondContact O-N 3.44Å; D290-G309 PolarHBondContact N-O 3.04Å; D290-Y311 WeakPolarHBondContact OD1-CE2 3.32Å; D290-Y311 PolarHBondContact OD1-OH 3.34Å
291	P	90.1	Very high	84.5	Confident	132 Å²	132	43.2 Å²	43.2	86%	0.857	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.5	128.2	176	-25.9	34.8	0	0	0	112.1
292	G	87.3	Confident	84.6	Confident	66 Å²	66	46.2 Å²	46.2	68%	0.68	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	92.1	-8.3	-177.4	0	0	0	0	0	114.7	D290	D290-G292 PolarHBondContact O-N 2.03Å
293	Y	86.6	Confident	85	Confident	123 Å²	123	48.5 Å²	48.5	48%	0.482	26%	0.263	S	S	.	.			trans	-99.3	152.4	169.9	-66.7	-92	0	0	0	111	D290 P308	D290-Y293 HydrophobicContact CB-CD2 3.77Å; D290-Y293 HydrophobicContact CB-CE2 4.27Å; D290-Y293 WeakPolarHBondContact O-CB 3.39Å; D290-Y293 PolarHBondContact O-N 3.44Å; Y293-P308 WeakPolarHBondContact CD1-O 3.31Å; Y293-P308 WeakPolarHBondContact CE1-O 3.49Å
294	Y	85.9	Confident	85.1	Confident	151 Å²	151	48.9 Å²	48.9	59%	0.592	27%	0.265	S	S	*	.			trans	-128.2	134.5	-173.5	-66.6	-70.4	0	0	0	109.7
295	R	88	Confident	85.3	Confident	32 Å²	32	48.9 Å²	48.9	12%	0.121	27%	0.265	C	S	.	.			trans	-57.6	143.1	175	-59.5	173.4	70.3	176.3	10.3	110	P132 Y133 D286	P132-R295 HydrophobicContact CB-CB 4.43Å; P132-R295 WeakPolarHBondContact O-CB 3.04Å; P132-R295 VanDerWaalsContact O-CD 3.22Å; P132-R295 WeakPolarHBondContact O-CD 3.41Å; P132-R295 PolarHBondContact O-NE 3.09Å; Y133-R295 WeakPolarHBondContact CE1-O 3.37Å; Y133-R295 PolarHBondContact OH-O 3.45Å; D286-R295 HydrophobicContact CB-CB 3.87Å; D286-R295 HydrophobicContact CB-CG 3.98Å; D286-R295 PolarHBondContact O-NE 3.37Å; D286-R295 PolarHBondContact O-NH2 2.81Å
296	R	87.4	Confident	85.4	Confident	78 Å²	78	48 Å²	48	29%	0.294	26%	0.261	S	S	.	.			trans	-133.9	-33.7	176.3	-70.3	-175.5	-68.8	160.2	-2.6	112.7	D235 D286 S307 P308	D235-R296 IonicContact OD1-CZ 2.74Å; D235-R296 IonicContact OD1-NH1 3.83Å; D235-R296 PolarHBondContact OD1-NH1 3.05Å; D235-R296 IonicContact OD1-NH2 3.07Å; D235-R296 PolarHBondContact OD1-NH2 3.25Å; D235-R296 IonicContact OD2-CZ 3.41Å; D235-R296 VanDerWaalsContact OD2-CZ 3.24Å; D235-R296 IonicContact OD2-NH1 3.32Å; D235-R296 PolarHBondContact OD2-NH1 3.29Å; D235-R296 IonicContact OD2-NH2 2.65Å; D235-R296 PolarHBondContact OD2-NH2 2.84Å; D235-R296 VanDerWaalsContact OD2-NH2 3.14Å; D286-R296 PolarHBondContact OD2-N 3.44Å; R296-S307 PolarHBondContact NE-OG 3.07Å; R296-S307 PolarHBondContact NH2-OG 3.24Å; R296-P308 VanDerWaalsContact NH2-CD 3.29Å
297	Y	87.4	Confident	85.5	Confident	38 Å²	38	48.1 Å²	48.1	15%	0.149	26%	0.261	C	S	.	.			trans	-102.3	136.6	-178.4	-59.6	-71.1	0	0	0	111	D235 L237 D286 G305	D235-Y297 HydrophobicContact CB-CE2 4.23Å; D235-Y297 PolarHBondContact OD2-OH 2.97Å; L237-Y297 HydrophobicContact CD2-CE1 4.14Å; D286-Y297 PolarHBondContact N-O 3.46Å; D286-Y297 VanDerWaalsContact N-O 3.1Å; D286-Y297 PolarHBondContact OD2-N 3.41Å; Y297-G305 WeakPolarHBondContact CB-O 3.38Å; Y297-G305 WeakPolarHBondContact CD2-O 3.38Å
298	A	83.7	Confident	85.6	Confident	0 Å²	0	48 Å²	48	0%	0	26%	0.261	C	S	.	.	B	Isolated β-bridge	trans	-148	132.1	175.4	0	0	0	0	0	110.2	P132 T300 S301 H302 T303	P132-A298 HydrophobicContact CB-CB 4.06Å; A298-T300 PolarHBondContact O-N 2.89Å; A298-S301 PolarHBondContact O-N 3.07Å; A298-S301 VanDerWaalsContact O-N 3.1Å; A298-S301 PolarHBondContact O-OG 2.94Å; A298-H302 PolarHBondContact O-N 2.91Å; A298-T303 CarbonylContact C-O 3.57Å; A298-T303 VanDerWaalsContact C-O 3.25Å; A298-T303 PolarHBondContact N-O 3.19Å; A298-T303 VanDerWaalsContact N-O 3.11Å; A298-T303 PolarHBondContact O-N 3.11Å
299	C	78.8	Confident	85.7	Confident	22 Å²	22	46.3 Å²	46.3	15%	0.149	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-39	179.5	-62.1	0	0	0	0	112.3	C283 E285 S301 H302	C283-C299 HydrophobicContact CB-CB 3.98Å; C283-C299 WeakPolarHBondContact CB-SG 3.18Å; C283-C299 WeakPolarHBondContact SG-CA 3.25Å; C283-C299 WeakPolarHBondContact SG-CB 3.48Å; C283-C299 CovalentContact SG-SG 1.98Å; C283-C299 PolarHBondContact SG-SG 3.07Å; E285-C299 WeakPolarHBondContact OE2-CB 3.33Å; E285-C299 PolarHBondContact OE2-N 2.78Å; E285-C299 PolarHBondContact OE2-SG 3.35Å; E285-C299 VanDerWaalsContact OE2-SG 3.41Å; C299-S301 VanDerWaalsContact C-N 3.33Å; C299-S301 PolarHBondContact O-N 3.08Å; C299-H302 PolarHBondContact O-N 3Å; C299-H302 VanDerWaalsContact O-N 3.11Å
300	T	74	Confident	85.8	Confident	54 Å²	54	44.7 Å²	44.7	33%	0.331	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-37.3	177.8	52.1	0	0	0	0	112.2	G129 D130 A298 H302	G129-T300 PolarHBondContact O-OG1 2.56Å; D130-T300 VanDerWaalsContact OD1-O 3.12Å; A298-T300 PolarHBondContact O-N 2.89Å; T300-H302 PolarHBondContact O-N 3.03Å; T300-H302 PolarHBondContact O-ND1 2.84Å; T300-H302 VanDerWaalsContact O-ND1 3.07Å
301	S	70.1	Confident	85.9	Confident	32 Å²	32	43.8 Å²	43.8	22%	0.224	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	7.3	176.6	75.3	0	0	0	0	113.9	D130 A298 C299 T303	D130-S301 VanDerWaalsContact O-CB 3.31Å; D130-S301 WeakPolarHBondContact O-CB 3.47Å; A298-S301 PolarHBondContact O-N 3.07Å; A298-S301 VanDerWaalsContact O-N 3.1Å; A298-S301 PolarHBondContact O-OG 2.94Å; C299-S301 VanDerWaalsContact C-N 3.33Å; C299-S301 PolarHBondContact O-N 3.08Å; S301-T303 PolarHBondContact O-N 3.34Å; S301-T303 PolarHBondContact OG-OG1 2.91Å
302	H	70.4	Confident	86.1	Confident	87 Å²	87	37.5 Å²	37.5	40%	0.403	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.1	30.5	-177.5	-52.1	73.1	0	0	0	113.6	R242 A298 C299 T300	R242-H302 PolarHBondContact NH1-O 3.22Å; A298-H302 PolarHBondContact O-N 2.91Å; C299-H302 PolarHBondContact O-N 3Å; C299-H302 VanDerWaalsContact O-N 3.11Å; T300-H302 PolarHBondContact O-N 3.03Å; T300-H302 PolarHBondContact O-ND1 2.84Å; T300-H302 VanDerWaalsContact O-ND1 3.07Å
303	T	79.2	Confident	86.3	Confident	55 Å²	55	35.5 Å²	35.5	34%	0.337	17%	0.166	S	C	.	.	B	Isolated β-bridge	trans	-121.9	125.9	172.8	58.9	0	0	0	0	108.6	A298 S301	A298-T303 CarbonylContact C-O 3.57Å; A298-T303 VanDerWaalsContact C-O 3.25Å; A298-T303 PolarHBondContact N-O 3.19Å; A298-T303 VanDerWaalsContact N-O 3.11Å; A298-T303 PolarHBondContact O-N 3.11Å; S301-T303 PolarHBondContact O-N 3.34Å; S301-T303 PolarHBondContact OG-OG1 2.91Å
304	Q	84.9	Confident	86.4	Confident	11 Å²	11	30.4 Å²	30.4	5%	0.051	15%	0.146	C	C	.	.			trans	-121.2	141.2	-174.4	-67.1	-161.9	43.2	0	0	111.3	P238 W245 F254 S256 C283 L284	P238-Q304 HydrophobicContact CG-CB 4.42Å; W245-Q304 HydrophobicContact CH2-CB 3.74Å; W245-Q304 HydrophobicContact CH2-CG 3.76Å; W245-Q304 HydrophobicContact CZ2-CB 4.2Å; W245-Q304 HydrophobicContact CZ3-CB 4.37Å; W245-Q304 HydrophobicContact CZ3-CG 3.88Å; F254-Q304 PolarHBondContact O-NE2 3.42Å; S256-Q304 VanDerWaalsContact CB-CD 3.47Å; S256-Q304 PolarHBondContact OG-OE1 3.1Å; C283-Q304 PolarHBondContact SG-OE1 3.28Å; C283-Q304 VanDerWaalsContact SG-OE1 3.32Å; L284-Q304 HydrophobicContact CB-CB 4.29Å; L284-Q304 VanDerWaalsContact O-CA 3.31Å; L284-Q304 WeakPolarHBondContact O-CA 3.13Å
305	G	90.4	Very high	86.6	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.126	C	C	.	.			trans	158.1	170.8	-179.7	0	0	0	0	0	110.8	F236 L284 Y297	F236-G305 CarbonylContact O-C 3.25Å; F236-G305 WeakPolarHBondContact O-CA 3.16Å; L284-G305 CarbonylContact C-O 3.52Å; L284-G305 PolarHBondContact O-N 1.98Å; Y297-G305 WeakPolarHBondContact CB-O 3.38Å; Y297-G305 WeakPolarHBondContact CD2-O 3.38Å
306	L	92.1	Very high	86.8	Confident	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.122	C	C	.	.	B	Isolated β-bridge	trans	-127.4	115.8	175.1	-178.4	62	0	0	0	109.5	L176 N230 F236 C310 D312	L176-L306 HydrophobicContact CD2-CD2 3.82Å; N230-L306 HydrophobicContact CB-CD2 3.77Å; N230-L306 HydrophobicContact CB-CG 3.69Å; N230-L306 PolarHBondContact ND2-O 3.11Å; F236-L306 HydrophobicContact CB-CB 4.19Å; F236-L306 PolarHBondContact N-O 3.41Å; F236-L306 PolarHBondContact O-N 3.47Å; L306-C310 HydrophobicContact CD1-CB 4.15Å; L306-D312 HydrophobicContact CD1-CB 4.11Å; L306-D312 HydrophobicContact CD2-CB 4.29Å
307	S	92.8	Very high	86.8	Confident	1 Å²	1	23.5 Å²	23.5	1%	0.007	13%	0.13	C	C	.	.			trans	-70.3	148.1	-178	-68.2	0	0	0	0	112	N230 D286 R296 G309 C310	N230-S307 WeakPolarHBondContact CB-O 3.28Å; D286-S307 VanDerWaalsContact OD1-CB 3.3Å; D286-S307 WeakPolarHBondContact OD1-CB 3.28Å; D286-S307 PolarHBondContact OD1-N 3.11Å; D286-S307 PolarHBondContact OD1-OG 2.7Å; D286-S307 WeakPolarHBondContact OD2-CB 3.35Å; D286-S307 PolarHBondContact OD2-OG 2.94Å; R296-S307 PolarHBondContact NE-OG 3.07Å; R296-S307 PolarHBondContact NH2-OG 3.24Å; S307-G309 PolarHBondContact O-N 3.19Å; S307-C310 WeakPolarHBondContact O-CB 3.36Å; S307-C310 PolarHBondContact O-N 3.46Å
308	P	93.3	Very high	86.7	Confident	7 Å²	7	23.3 Å²	23.3	5%	0.045	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.1	135.1	167.2	-29.1	38.2	0	0	0	111.5	D235 Y293 R296 C310	D235-P308 WeakPolarHBondContact OD1-CD 3.29Å; Y293-P308 WeakPolarHBondContact CD1-O 3.31Å; Y293-P308 WeakPolarHBondContact CE1-O 3.49Å; R296-P308 VanDerWaalsContact NH2-CD 3.29Å; P308-C310 PolarHBondContact O-N 3.21Å
309	G	92.2	Very high	86.7	Confident	4 Å²	4	25.5 Å²	25.5	4%	0.041	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.8	2.7	-178.1	0	0	0	0	0	114.8	N230 D290 S307	N230-G309 PolarHBondContact O-N 3.02Å; D290-G309 PolarHBondContact N-O 3.04Å; S307-G309 PolarHBondContact O-N 3.19Å
310	C	95.1	Very high	87.1	Confident	1 Å²	1	24.7 Å²	24.7	1%	0.007	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	165.6	175.5	-62.5	0	0	0	0	112.1	N230 D286 S288 C289 L306 S307 P308	N230-C310 PolarHBondContact N-O 3.06Å; D286-C310 HydrophobicContact CB-CB 4.13Å; D286-C310 VanDerWaalsContact OD1-CB 3.23Å; D286-C310 WeakPolarHBondContact OD1-CB 2.93Å; S288-C310 CarbonylContact O-C 3.58Å; S288-C310 WeakPolarHBondContact O-CA 3.39Å; C289-C310 HydrophobicContact CB-CB 3.98Å; C289-C310 WeakPolarHBondContact CB-SG 3.26Å; C289-C310 WeakPolarHBondContact SG-CB 3.46Å; C289-C310 CovalentContact SG-SG 2.04Å; C289-C310 PolarHBondContact SG-SG 3.32Å; L306-C310 HydrophobicContact CD1-CB 4.15Å; S307-C310 WeakPolarHBondContact O-CB 3.36Å; S307-C310 PolarHBondContact O-N 3.46Å; P308-C310 PolarHBondContact O-N 3.21Å
311	Y	94.8	Very high	87.9	Confident	25 Å²	25	22.1 Å²	22.1	10%	0.098	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	141.5	-178.3	-55.6	-98.5	0	0	0	110.2	R227 V228 K229 T287 S288 D290	R227-Y311 HydrophobicContact CG-CD1 4.05Å; R227-Y311 VanDerWaalsContact NE-CG 3.33Å; R227-Y311 VanDerWaalsContact NH2-CE2 3.29Å; R227-Y311 VanDerWaalsContact NH2-CG 3.26Å; V228-Y311 CarbonylContact O-C 3.57Å; V228-Y311 WeakPolarHBondContact O-CA 3.38Å; K229-Y311 HydrophobicContact CB-CD1 3.56Å; K229-Y311 HydrophobicContact CB-CE1 3.52Å; K229-Y311 HydrophobicContact CD-CD1 4.38Å; K229-Y311 HydrophobicContact CD-CE1 3.54Å; K229-Y311 WeakPolarHBondContact CE-OH 3.4Å; K229-Y311 HydrophobicContact CG-CD1 3.82Å; K229-Y311 HydrophobicContact CG-CE1 3.48Å; K229-Y311 VanDerWaalsContact CG-CE1 3.48Å; K229-Y311 PolarHBondContact NZ-OH 2.74Å; T287-Y311 PolarHBondContact N-O 2.95Å; T287-Y311 PolarHBondContact OG1-O 3.38Å; S288-Y311 PolarHBondContact N-O 2.73Å; S288-Y311 PolarHBondContact O-N 3.49Å; D290-Y311 WeakPolarHBondContact OD1-CE2 3.32Å; D290-Y311 PolarHBondContact OD1-OH 3.34Å
312	D	92.8	Very high	89	Confident	1 Å²	1	20.6 Å²	20.6	1%	0.005	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	128.8	162.7	-157.2	-19	0	0	0	108.7	R227 V228 L284 E285 L306 Y314	R227-D312 CarbonylContact C-O 3.51Å; R227-D312 WeakPolarHBondContact CA-O 3.47Å; V228-D312 PolarHBondContact N-O 2.99Å; V228-D312 PolarHBondContact O-N 3.23Å; L284-D312 WeakPolarHBondContact CA-OD2 3.27Å; E285-D312 PolarHBondContact N-OD2 3.45Å; E285-D312 VanDerWaalsContact O-CG 3.27Å; L306-D312 HydrophobicContact CD1-CB 4.11Å; L306-D312 HydrophobicContact CD2-CB 4.29Å; D312-Y314 PolarHBondContact OD2-OH 2.97Å
313	T	91.6	Very high	90.2	Very high	24 Å²	24	16.5 Å²	16.5	15%	0.147	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	111.9	-172.6	-50	0	0	0	0	110.1	T225 Q226 R227 T287	T225-T313 HydrophobicContact CG2-CG2 4.04Å; Q226-T313 CarbonylContact O-C 3.56Å; Q226-T313 WeakPolarHBondContact O-CA 3.36Å; R227-T313 HydrophobicContact CB-CG2 4.2Å; R227-T313 HydrophobicContact CG-CG2 4.43Å; T287-T313 WeakPolarHBondContact OG1-CB 3.36Å; T287-T313 PolarHBondContact OG1-N 3Å; T287-T313 PolarHBondContact OG1-OG1 3.12Å
314	Y	89.3	Confident	91	Very high	16 Å²	16	14.2 Å²	14.2	6%	0.063	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	106.6	171.4	-58.8	-72.7	0	0	0	109.8	T225 Q226 F260 F282 C283 D312 I318	T225-Y314 CarbonylContact C-O 3.51Å; T225-Y314 VanDerWaalsContact CA-O 3.31Å; T225-Y314 WeakPolarHBondContact CA-O 3.2Å; T225-Y314 WeakPolarHBondContact CG2-O 3.46Å; Q226-Y314 PolarHBondContact N-O 2.79Å; Q226-Y314 PolarHBondContact O-N 2.87Å; F260-Y314 HydrophobicContact CD1-CE2 4.35Å; F260-Y314 HydrophobicContact CE1-CE2 4.16Å; F282-Y314 HydrophobicContact CB-CD1 4.26Å; F282-Y314 HydrophobicContact CB-CE1 3.46Å; F282-Y314 VanDerWaalsContact CB-CE1 3.46Å; F282-Y314 HydrophobicContact CB-CE2 3.78Å; F282-Y314 WeakPolarHBondContact CB-OH 3.4Å; F282-Y314 AromaticContact CD1-CD1 3.79Å; F282-Y314 HydrophobicContact CD1-CD1 3.79Å; F282-Y314 AromaticContact CD1-CE1 3.79Å; F282-Y314 HydrophobicContact CD1-CE1 3.79Å; F282-Y314 HydrophobicContact CD1-CG 4.29Å; F282-Y314 HydrophobicContact CD2-CD1 4.31Å; F282-Y314 AromaticContact CD2-CD2 3.81Å; F282-Y314 HydrophobicContact CD2-CD2 3.81Å; F282-Y314 HydrophobicContact CD2-CE1 4.26Å; F282-Y314 AromaticContact CD2-CE2 3.71Å; F282-Y314 HydrophobicContact CD2-CE2 3.71Å; F282-Y314 HydrophobicContact CD2-CG 4.1Å; F282-Y314 AromaticContact CD2-CZ 3.96Å; F282-Y314 HydrophobicContact CE1-CD1 4.15Å; F282-Y314 HydrophobicContact CE1-CG 4.38Å; F282-Y314 HydrophobicContact CE2-CD2 4.07Å; F282-Y314 HydrophobicContact CE2-CE2 4.43Å; F282-Y314 HydrophobicContact CE2-CG 4.14Å; F282-Y314 AromaticContact CG-CD1 3.9Å; F282-Y314 HydrophobicContact CG-CD1 3.9Å; F282-Y314 HydrophobicContact CG-CD2 4.16Å; F282-Y314 AromaticContact CG-CE1 3.62Å; F282-Y314 HydrophobicContact CG-CE1 3.62Å; F282-Y314 AromaticContact CG-CE2 3.86Å; F282-Y314 HydrophobicContact CG-CE2 3.86Å; F282-Y314 HydrophobicContact CG-CG 4.17Å; F282-Y314 AromaticContact CG-CZ 3.59Å; F282-Y314 HydrophobicContact CZ-CG 4.33Å; C283-Y314 VanDerWaalsContact C-OH 3.23Å; C283-Y314 PolarHBondContact O-OH 2.8Å; D312-Y314 PolarHBondContact OD2-OH 2.97Å; Y314-I318 HydrophobicContact CD1-CD1 4.37Å
315	S	90.8	Very high	91.6	Very high	24 Å²	24	13.8 Å²	13.8	17%	0.168	8%	0.076	C	C	.	.			trans	-69.6	146.9	179.5	-57.5	0	0	0	0	111.8	D317 I318 Q321	S315-D317 WeakPolarHBondContact CB-OD1 3.18Å; S315-D317 PolarHBondContact O-N 3.17Å; S315-I318 WeakPolarHBondContact O-CB 3.31Å; S315-I318 WeakPolarHBondContact O-CG1 3.41Å; S315-I318 PolarHBondContact O-N 3.49Å; S315-Q321 WeakPolarHBondContact O-CG 3.42Å
316	A	91.6	Very high	91.8	Very high	5 Å²	5	15.7 Å²	15.7	4%	0.041	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-19.8	-178.2	0	0	0	0	0	115.1	Y188 R223 T225	Y188-A316 HydrophobicContact CD1-CB 4.41Å; Y188-A316 HydrophobicContact CE1-CB 3.6Å; Y188-A316 PolarHBondContact OH-O 2.93Å; R223-A316 HydrophobicContact CB-CB 4.22Å; R223-A316 VanDerWaalsContact CD-O 3.25Å; R223-A316 WeakPolarHBondContact CD-O 3.41Å; R223-A316 PolarHBondContact NH1-O 3.27Å; T225-A316 PolarHBondContact OG1-N 2.87Å; T225-A316 VanDerWaalsContact OG1-N 3.08Å
317	D	87.6	Confident	91.9	Very high	87 Å²	87	20.8 Å²	20.8	47%	0.465	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-16.4	177.7	58.9	-55.7	0	0	0	113.9	R223 S315	R223-D317 PolarHBondContact NH1-O 2.86Å; S315-D317 WeakPolarHBondContact CB-OD1 3.18Å; S315-D317 PolarHBondContact O-N 3.17Å
318	I	84.5	Confident	92	Very high	34 Å²	34	21.4 Å²	21.4	17%	0.174	12%	0.119	C	C	.	.	S	Bend	trans	-68.5	147.1	178.9	-59.5	177.4	0	0	0	109.9	R223 Y314 S315 Q321	R223-I318 PolarHBondContact NH1-O 2.83Å; Y314-I318 HydrophobicContact CD1-CD1 4.37Å; S315-I318 WeakPolarHBondContact O-CB 3.31Å; S315-I318 WeakPolarHBondContact O-CG1 3.41Å; S315-I318 PolarHBondContact O-N 3.49Å; I318-Q321 HydrophobicContact CB-CB 4.32Å; I318-Q321 WeakPolarHBondContact O-CB 2.99Å; I318-Q321 PolarHBondContact O-N 2.85Å
319	D	85.3	Confident	92.1	Very high	46 Å²	46	25.1 Å²	25.1	25%	0.246	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	147.2	174.5	-86.8	-15	0	0	0	111.8	R223 H251 Q321 W322	R223-D319 IonicContact NH2-OD1 3.63Å; H251-D319 VanDerWaalsContact NE2-CB 3.27Å; H251-D319 WeakPolarHBondContact NE2-CB 2.96Å; D319-Q321 PolarHBondContact O-N 2.8Å; D319-W322 HydrophobicContact CB-CH2 4.29Å; D319-W322 HydrophobicContact CB-CZ3 4.34Å; D319-W322 WeakPolarHBondContact OD1-CH2 3.19Å; D319-W322 WeakPolarHBondContact OD1-CZ3 3.14Å
320	C	86.1	Confident	92.4	Very high	5 Å²	5	29 Å²	29	3%	0.034	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	65	2.9	-174	-54	0	0	0	0	115.2	C205 H278 W322	C205-C320 HydrophobicContact CB-CB 3.67Å; C205-C320 WeakPolarHBondContact CB-SG 3.36Å; C205-C320 WeakPolarHBondContact SG-CB 3.38Å; C205-C320 CovalentContact SG-SG 2.03Å; C205-C320 PolarHBondContact SG-SG 3.41Å; H278-C320 PolarHBondContact CD2-O 2.88Å; H278-C320 PolarHBondContact NE2-O 2.99Å; C320-W322 VanDerWaalsContact N-CH2 3.29Å; C320-W322 PolarHBondContact O-N 2.84Å
321	Q	91.6	Very high	92.5	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.18	C	C	.	.			trans	-86.5	55.6	174.9	-167.3	54.6	39.6	0	0	111.9	F224 Y263 S315 I318 D319	F224-Q321 WeakPolarHBondContact O-CG 3.31Å; F224-Q321 PolarHBondContact O-NE2 2.76Å; Y263-Q321 PolarHBondContact OH-NE2 3.49Å; Y263-Q321 PolarHBondContact OH-OE1 3.03Å; S315-Q321 WeakPolarHBondContact O-CG 3.42Å; I318-Q321 HydrophobicContact CB-CB 4.32Å; I318-Q321 WeakPolarHBondContact O-CB 2.99Å; I318-Q321 PolarHBondContact O-N 2.85Å; D319-Q321 PolarHBondContact O-N 2.8Å
322	W	93.5	Very high	92.6	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	172.1	-179.6	59.9	71	0	0	0	114.2	L197 A200 C205 L206 L221 L222 R223 H278 D319 C320	L197-W322 HydrophobicContact CD2-CH2 3.99Å; L197-W322 HydrophobicContact CD2-CZ2 4.19Å; A200-W322 HydrophobicContact CB-CH2 3.57Å; A200-W322 HydrophobicContact CB-CZ2 3.42Å; A200-W322 VanDerWaalsContact CB-CZ2 3.42Å; C205-W322 HydrophobicContact CB-CZ2 4.36Å; C205-W322 PolarHBondContact O-NE1 2.03Å; L206-W322 HydrophobicContact CD2-CZ2 4.04Å; L221-W322 HydrophobicContact CB-CB 4.16Å; L221-W322 HydrophobicContact CB-CD2 4.47Å; L221-W322 HydrophobicContact CB-CG 4.08Å; L221-W322 HydrophobicContact CD1-CD2 3.95Å; L221-W322 HydrophobicContact CD1-CE3 4.21Å; L221-W322 HydrophobicContact CD1-CG 4.38Å; L221-W322 HydrophobicContact CD1-CH2 4.38Å; L221-W322 HydrophobicContact CD1-CZ2 4.16Å; L221-W322 HydrophobicContact CD1-CZ3 4.4Å; L221-W322 HydrophobicContact CD2-CD2 4.45Å; L221-W322 HydrophobicContact CD2-CG 4.26Å; L221-W322 HydrophobicContact CG-CG 4.46Å; L222-W322 CarbonylContact O-C 3.46Å; L222-W322 WeakPolarHBondContact O-CA 3.33Å; L222-W322 VanDerWaalsContact O-CB 3.29Å; L222-W322 WeakPolarHBondContact O-CB 3.49Å; R223-W322 HydrophobicContact CG-CB 3.82Å; R223-W322 HydrophobicContact CG-CE3 4.34Å; R223-W322 VanDerWaalsContact NH1-CE3 3.35Å; H278-W322 PolarHBondContact CD2-O 3Å; D319-W322 HydrophobicContact CB-CH2 4.29Å; D319-W322 HydrophobicContact CB-CZ3 4.34Å; D319-W322 WeakPolarHBondContact OD1-CH2 3.19Å; D319-W322 WeakPolarHBondContact OD1-CZ3 3.14Å; C320-W322 VanDerWaalsContact N-CH2 3.29Å; C320-W322 PolarHBondContact O-N 2.84Å
323	I	95.6	Very high	92.8	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	131	157.3	-61.4	172	0	0	0	108.2	L222 F224 L265 A275 I325 L335	L222-I323 PolarHBondContact N-O 3.14Å; L222-I323 PolarHBondContact O-N 3Å; F224-I323 HydrophobicContact CE1-CD1 4.5Å; F224-I323 HydrophobicContact CE1-CG1 4.2Å; L265-I323 HydrophobicContact CB-CD1 4.12Å; L265-I323 HydrophobicContact CB-CG2 4.43Å; A275-I323 HydrophobicContact CB-CG2 3.66Å; I323-I325 HydrophobicContact CB-CG2 4.46Å; I323-I325 HydrophobicContact CG2-CG2 4.04Å; I323-I325 PolarHBondContact O-N 2.65Å; I323-L335 HydrophobicContact CD1-CD1 3.49Å; I323-L335 VanDerWaalsContact CD1-CD1 3.49Å
324	D	95.6	Very high	93.1	Very high	7 Å²	7	36.3 Å²	36.3	4%	0.037	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	111.6	172.3	-173.1	-13.8	0	0	0	109.5	A207 R219 L221 T326	A207-D324 HydrophobicContact CB-CB 4.13Å; A207-D324 PolarHBondContact N-OD2 2.74Å; R219-D324 IonicContact CZ-OD1 3.25Å; R219-D324 IonicContact CZ-OD2 3.98Å; R219-D324 VanDerWaalsContact CZ-OD2 3.25Å; R219-D324 IonicContact NE-OD1 3.24Å; R219-D324 IonicContact NE-OD2 3.82Å; R219-D324 PolarHBondContact NE-OD2 2.8Å; R219-D324 VanDerWaalsContact NH2-CG 3.3Å; R219-D324 IonicContact NH2-OD1 2.7Å; R219-D324 PolarHBondContact NH2-OD1 3.44Å; R219-D324 IonicContact NH2-OD2 3.82Å; R219-D324 PolarHBondContact NH2-OD2 3.12Å; L221-D324 HydrophobicContact CD2-CB 4.28Å; D324-T326 VanDerWaalsContact OD1-CB 3.23Å; D324-T326 WeakPolarHBondContact OD1-CB 3.43Å; D324-T326 PolarHBondContact OD1-N 3.03Å; D324-T326 PolarHBondContact OD1-OG1 3.43Å
325	I	96.3	Very high	93.4	Very high	3 Å²	3	35.6 Å²	35.6	2%	0.015	20%	0.203	C	C	.	.			trans	-109.2	19.8	-177.4	61	162.1	0	0	0	111.8	V189 V220 L222 L265 I323 D327 V328 Y361	V189-I325 HydrophobicContact CG2-CD1 4.32Å; V220-I325 HydrophobicContact CB-CG1 4.16Å; V220-I325 HydrophobicContact CG1-CD1 3.97Å; V220-I325 HydrophobicContact CG1-CG1 3.83Å; V220-I325 VanDerWaalsContact O-CG1 3.28Å; V220-I325 WeakPolarHBondContact O-CG1 3.37Å; V220-I325 PolarHBondContact O-N 2.58Å; L222-I325 HydrophobicContact CB-CD1 4.04Å; L222-I325 HydrophobicContact CB-CG1 4.25Å; L222-I325 HydrophobicContact CB-CG2 3.95Å; L265-I325 HydrophobicContact CD2-CG2 3.73Å; I323-I325 HydrophobicContact CB-CG2 4.46Å; I323-I325 HydrophobicContact CG2-CG2 4.04Å; I323-I325 PolarHBondContact O-N 2.65Å; I325-D327 PolarHBondContact O-N 3.19Å; I325-V328 HydrophobicContact CB-CB 4.07Å; I325-V328 HydrophobicContact CB-CG2 4.05Å; I325-V328 HydrophobicContact CG2-CG2 4.28Å; I325-V328 WeakPolarHBondContact O-CB 3.41Å; I325-V328 PolarHBondContact O-N 2.69Å; I325-V328 VanDerWaalsContact O-N 3.08Å; I325-Y361 HydrophobicContact CD1-CD2 4.08Å; I325-Y361 HydrophobicContact CD1-CE1 4.16Å; I325-Y361 HydrophobicContact CD1-CE2 3.69Å; I325-Y361 HydrophobicContact CD1-CG 4.5Å
326	T	95.4	Very high	93.7	Very high	40 Å²	40	36.2 Å²	36.2	25%	0.245	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-38.9	-178.7	-55.3	0	0	0	0	112.4	R219 V220 D324 V328	R219-T326 WeakPolarHBondContact CA-OG1 3.31Å; R219-T326 PolarHBondContact NE-OG1 2.77Å; V220-T326 PolarHBondContact N-OG1 2.94Å; V220-T326 PolarHBondContact O-N 3.32Å; D324-T326 VanDerWaalsContact OD1-CB 3.23Å; D324-T326 WeakPolarHBondContact OD1-CB 3.43Å; D324-T326 PolarHBondContact OD1-N 3.03Å; D324-T326 PolarHBondContact OD1-OG1 3.43Å; T326-V328 VanDerWaalsContact C-N 3.35Å
327	D	93.8	Very high	93.8	Very high	107 Å²	107	36 Å²	36	57%	0.572	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.3	5.9	-177.9	-54.7	-41.4	0	0	0	112.8	S209 R219 I325	S209-D327 VanDerWaalsContact CB-OD2 3.26Å; S209-D327 WeakPolarHBondContact CB-OD2 3.49Å; S209-D327 PolarHBondContact OG-OD2 3.42Å; R219-D327 IonicContact NH2-OD2 2.98Å; I325-D327 PolarHBondContact O-N 3.19Å
328	V	95.4	Very high	94.2	Very high	14 Å²	14	32 Å²	32	9%	0.085	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-96.3	127.5	-177.6	-177.2	0	0	0	0	109.7	L265 V274 A275 I325 T326 Y333	L265-V328 HydrophobicContact CD2-CG1 4.23Å; L265-V328 HydrophobicContact CD2-CG2 4.4Å; V274-V328 HydrophobicContact CG2-CG1 4.38Å; A275-V328 HydrophobicContact CB-CG2 3.96Å; I325-V328 HydrophobicContact CB-CB 4.07Å; I325-V328 HydrophobicContact CB-CG2 4.05Å; I325-V328 HydrophobicContact CG2-CG2 4.28Å; I325-V328 WeakPolarHBondContact O-CB 3.41Å; I325-V328 PolarHBondContact O-N 2.69Å; I325-V328 VanDerWaalsContact O-N 3.08Å; T326-V328 VanDerWaalsContact C-N 3.35Å; V328-Y333 HydrophobicContact CG1-CE1 4.1Å; V328-Y333 HydrophobicContact CG1-CE2 3.9Å
329	S	95.9	Very high	94.6	Very high	84 Å²	84	30.4 Å²	30.4	59%	0.587	17%	0.172	S	C	*	.	P	Polyproline II helix	trans	-73	159	176.2	-66.1	0	0	0	0	111.9	Y333 Y361	S329-Y333 WeakPolarHBondContact O-CE2 3.31Å; S329-Y333 PolarHBondContact O-OH 2.97Å; S329-Y361 WeakPolarHBondContact O-CD1 3.46Å
330	P	97.2	Very high	94.9	Very high	87 Å²	87	28.3 Å²	28.3	57%	0.565	16%	0.16	S	C	*	.	S	Bend	trans	-58.2	138.8	168.8	-24.7	35.5	0	0	0	111.8	Y361	P330-Y361 CarbonylContact C-O 3.57Å; P330-Y361 VanDerWaalsContact CA-O 3.27Å; P330-Y361 WeakPolarHBondContact CA-O 2.85Å; P330-Y361 WeakPolarHBondContact CB-O 2.87Å
331	G	96.9	Very high	95.1	Very high	23 Å²	23	29.4 Å²	29.4	24%	0.237	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	168.3	-174	-172.8	0	0	0	0	0	113.8	Y333 Y361	G331-Y333 WeakPolarHBondContact O-CD2 3.43Å; G331-Y333 WeakPolarHBondContact O-CE2 3.44Å; G331-Y361 PolarHBondContact N-O 2.79Å; G331-Y361 PolarHBondContact O-N 3.19Å
332	K	97.9	Very high	95	Very high	143 Å²	143	36.5 Å²	36.5	62%	0.622	19%	0.194	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-103	128.5	177.2	-65.4	-173.5	177.3	-172.6	0	109.9	A268 V359	A268-K332 HydrophobicContact CB-CB 4.03Å; A268-K332 WeakPolarHBondContact CB-O 3.19Å; A268-K332 PolarHBondContact N-O 3.07Å; A268-K332 VanDerWaalsContact N-O 3.17Å; K332-V359 WeakPolarHBondContact CA-O 3.5Å
333	Y	97.8	Very high	94.9	Very high	21 Å²	21	41.2 Å²	41.2	8%	0.082	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	169.1	-173.6	-58.2	-73.8	0	0	0	111.1	L265 L266 V274 V328 S329 G331 V359 Y361	L265-Y333 HydrophobicContact CD1-CG 4.4Å; L265-Y333 HydrophobicContact CD2-CG 4.34Å; L265-Y333 HydrophobicContact CG-CD1 4.49Å; L265-Y333 HydrophobicContact CG-CG 4.26Å; L266-Y333 CarbonylContact O-C 3.55Å; L266-Y333 WeakPolarHBondContact O-CA 3.48Å; L266-Y333 WeakPolarHBondContact O-CB 3.34Å; V274-Y333 HydrophobicContact CB-CE1 4.26Å; V274-Y333 HydrophobicContact CG1-CD1 4.37Å; V274-Y333 HydrophobicContact CG1-CE1 4.06Å; V274-Y333 HydrophobicContact CG2-CD1 3.62Å; V274-Y333 HydrophobicContact CG2-CE1 3.77Å; V328-Y333 HydrophobicContact CG1-CE1 4.1Å; V328-Y333 HydrophobicContact CG1-CE2 3.9Å; S329-Y333 WeakPolarHBondContact O-CE2 3.31Å; S329-Y333 PolarHBondContact O-OH 2.97Å; G331-Y333 WeakPolarHBondContact O-CD2 3.43Å; G331-Y333 WeakPolarHBondContact O-CE2 3.44Å; Y333-V359 PolarHBondContact N-O 2.97Å; Y333-V359 PolarHBondContact O-N 2.78Å; Y333-Y361 HydrophobicContact CE2-CD1 4.42Å
334	I	97.3	Very high	94.5	Very high	16 Å²	16	45.1 Å²	45.1	8%	0.082	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	117.7	171.4	-60.2	169.5	0	0	0	107.2	L266 A268 Y271 R356 C357	L266-I334 HydrophobicContact CB-CB 4.3Å; L266-I334 PolarHBondContact N-O 3.1Å; L266-I334 PolarHBondContact O-N 2.74Å; A268-I334 HydrophobicContact CB-CG1 4.35Å; Y271-I334 HydrophobicContact CD1-CD1 3.81Å; Y271-I334 HydrophobicContact CE1-CD1 3.35Å; I334-R356 HydrophobicContact CG2-CB 4.29Å; I334-C357 CarbonylContact C-O 3.55Å; I334-C357 VanDerWaalsContact CA-O 3.31Å; I334-C357 WeakPolarHBondContact CA-O 3.17Å
335	L	96.3	Very high	94.2	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.005	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	121.2	167.7	174	59.3	0	0	0	108	I183 F224 I323 V337 R356 C357 V359 I368	I183-L335 HydrophobicContact CG2-CD2 3.68Å; F224-L335 HydrophobicContact CD1-CD2 4.18Å; F224-L335 HydrophobicContact CE1-CD1 4.33Å; F224-L335 HydrophobicContact CE1-CD2 4.47Å; F224-L335 HydrophobicContact CG-CD2 4.28Å; I323-L335 HydrophobicContact CD1-CD1 3.49Å; I323-L335 VanDerWaalsContact CD1-CD1 3.49Å; L335-V337 HydrophobicContact CD1-CG2 4.22Å; L335-V337 HydrophobicContact CG-CG2 4.2Å; L335-R356 CarbonylContact O-C 3.59Å; L335-R356 VanDerWaalsContact O-CA 3.3Å; L335-R356 WeakPolarHBondContact O-CA 3.31Å; L335-C357 HydrophobicContact CB-CB 4.33Å; L335-C357 PolarHBondContact N-O 2.88Å; L335-C357 PolarHBondContact O-N 2.04Å; L335-V359 HydrophobicContact CB-CG2 3.6Å; L335-I368 HydrophobicContact CD2-CD1 3.99Å
336	K	95.8	Very high	94	Very high	38 Å²	38	48.9 Å²	48.9	17%	0.165	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	119.5	175.6	178.3	-177.9	166	-139.1	0	108.6	E264 L266 V354 A355 R356	E264-K336 HydrophobicContact CB-CB 4.32Å; E264-K336 PolarHBondContact N-O 2.65Å; E264-K336 PolarHBondContact O-N 2.89Å; E264-K336 VanDerWaalsContact OE2-CD 3.3Å; E264-K336 WeakPolarHBondContact OE2-CD 3.27Å; E264-K336 WeakPolarHBondContact OE2-CE 3.21Å; E264-K336 IonicContact OE2-NZ 2.98Å; E264-K336 PolarHBondContact OE2-NZ 2.77Å; L266-K336 HydrophobicContact CD1-CB 4.25Å; L266-K336 HydrophobicContact CD1-CD 4.12Å; K336-V354 HydrophobicContact CD-CG1 4.28Å; K336-V354 HydrophobicContact CG-CG1 3.76Å; K336-A355 WeakPolarHBondContact CA-O 3.07Å; K336-R356 HydrophobicContact CB-CG 4.39Å; K336-R356 HydrophobicContact CG-CG 4.25Å
337	V	95	Very high	93.9	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.006	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	121.4	176.1	175.9	0	0	0	0	107.8	I183 F224 Y263 L335 V354 A355	I183-V337 HydrophobicContact CD1-CB 4.25Å; I183-V337 HydrophobicContact CD1-CG2 4.06Å; F224-V337 HydrophobicContact CE2-CG2 3.87Å; F224-V337 HydrophobicContact CZ-CG2 4.21Å; Y263-V337 HydrophobicContact CD1-CB 4.41Å; Y263-V337 HydrophobicContact CD1-CG1 3.92Å; Y263-V337 HydrophobicContact CD1-CG2 4.02Å; Y263-V337 HydrophobicContact CE1-CG1 3.82Å; Y263-V337 HydrophobicContact CE1-CG2 4.43Å; L335-V337 HydrophobicContact CD1-CG2 4.22Å; L335-V337 HydrophobicContact CG-CG2 4.2Å; V337-V354 CarbonylContact O-C 3.58Å; V337-V354 WeakPolarHBondContact O-CA 3.46Å; V337-A355 PolarHBondContact N-O 2.78Å; V337-A355 PolarHBondContact O-N 3.16Å
338	T	94.5	Very high	93.9	Very high	3 Å²	3	45.7 Å²	45.7	2%	0.018	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	125.1	-179.4	-53.7	0	0	0	0	109.5	S261 L262 P341 V354 Y376	S261-T338 CarbonylContact C-O 3.53Å; S261-T338 VanDerWaalsContact CA-O 3.26Å; S261-T338 WeakPolarHBondContact CA-O 3.22Å; L262-T338 PolarHBondContact N-O 2.92Å; L262-T338 PolarHBondContact O-N 2.97Å; T338-P341 HydrophobicContact CG2-CB 3.76Å; T338-V354 HydrophobicContact CG2-CG2 4.08Å; T338-Y376 HydrophobicContact CG2-CE1 3.5Å; T338-Y376 WeakPolarHBondContact CG2-OH 3.41Å
339	V	93.5	Very high	93.8	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	138.2	176.5	-175.6	0	0	0	0	110	L176 P178 V228 F260 N353 Y376	L176-V339 HydrophobicContact CB-CG1 3.84Å; L176-V339 HydrophobicContact CD1-CG1 3.52Å; L176-V339 HydrophobicContact CG-CG1 4.36Å; P178-V339 HydrophobicContact CB-CG2 3.83Å; P178-V339 HydrophobicContact CG-CG2 3.97Å; V228-V339 HydrophobicContact CG1-CG1 4.03Å; V228-V339 HydrophobicContact CG1-CG2 4.44Å; V228-V339 HydrophobicContact CG2-CG1 4.43Å; V228-V339 HydrophobicContact CG2-CG2 3.87Å; F260-V339 HydrophobicContact CE2-CG1 4.05Å; F260-V339 HydrophobicContact CZ-CG1 4.06Å; V339-N353 PolarHBondContact N-O 3.18Å; V339-N353 WeakPolarHBondContact O-CB 3.3Å; V339-N353 PolarHBondContact O-ND2 2.95Å; V339-Y376 PolarHBondContact O-OH 3.47Å
340	N	91.8	Very high	93.8	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.011	24%	0.237	C	C	.	.	S	Bend	trans	48.7	53.4	-173.9	-171	19.3	0	0	0	112.7	F260 R342 Q343 Q344 V345 E347 Y376	F260-N340 PolarHBondContact O-N 2.84Å; N340-R342 PolarHBondContact O-N 3.07Å; N340-R342 VanDerWaalsContact O-N 3.15Å; N340-Q343 PolarHBondContact O-N 3.25Å; N340-Q343 WeakPolarHBondContact OD1-CA 3.18Å; N340-Q343 PolarHBondContact OD1-N 3.35Å; N340-Q344 PolarHBondContact OD1-N 2.86Å; N340-Q344 VanDerWaalsContact OD1-N 3.08Å; N340-V345 PolarHBondContact ND2-O 3.24Å; N340-E347 WeakPolarHBondContact CB-OE1 3.48Å; N340-E347 PolarHBondContact ND2-OE1 2.74Å; N340-Y376 PolarHBondContact O-OH 2.77Å
341	P	90.6	Very high	93.6	Very high	27 Å²	27	47 Å²	47	18%	0.175	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-29.1	-170	25.8	-36.8	0	0	0	114	E259 L262 T338 Y376	E259-P341 HydrophobicContact CG-CG 3.91Å; L262-P341 HydrophobicContact CB-CB 4.07Å; L262-P341 HydrophobicContact CB-CG 3.93Å; L262-P341 HydrophobicContact CD2-CB 4.42Å; T338-P341 HydrophobicContact CG2-CB 3.76Å; P341-Y376 WeakPolarHBondContact CA-OH 3.33Å
342	R	88.8	Confident	93.5	Very high	150 Å²	150	46.6 Å²	46.6	57%	0.566	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.5	3.1	179.7	-63.6	-166.3	-165.4	-166	13.2	113.7	E259 N340 Q344	E259-R342 IonicContact OE2-CZ 2.7Å; E259-R342 IonicContact OE2-NE 3.17Å; E259-R342 PolarHBondContact OE2-NE 3.26Å; E259-R342 IonicContact OE2-NH2 3.59Å; E259-R342 PolarHBondContact OE2-NH2 3.27Å; N340-R342 PolarHBondContact O-N 3.07Å; N340-R342 VanDerWaalsContact O-N 3.15Å; R342-Q344 HydrophobicContact CB-CG 3.93Å; R342-Q344 PolarHBondContact O-N 3.06Å; R342-Q344 VanDerWaalsContact O-N 3.13Å
343	Q	90.8	Very high	93.4	Very high	99 Å²	99	39.8 Å²	39.8	46%	0.463	20%	0.202	S	C	.	.			trans	51.4	38.4	-179.7	-53.6	179.2	0.7	0	0	112.2	N340 V345 F350	N340-Q343 PolarHBondContact O-N 3.25Å; N340-Q343 WeakPolarHBondContact OD1-CA 3.18Å; N340-Q343 PolarHBondContact OD1-N 3.35Å; Q343-V345 PolarHBondContact O-N 3.41Å; Q343-F350 HydrophobicContact CB-CD1 4.48Å; Q343-F350 HydrophobicContact CB-CE1 3.82Å; Q343-F350 HydrophobicContact CB-CZ 3.97Å; Q343-F350 HydrophobicContact CG-CD1 3.8Å; Q343-F350 HydrophobicContact CG-CE1 3.64Å; Q343-F350 HydrophobicContact CG-CG 4.37Å; Q343-F350 HydrophobicContact CG-CZ 4.11Å
344	Q	87.3	Confident	93.3	Very high	81 Å²	81	38.8 Å²	38.8	38%	0.379	20%	0.198	S	C	.	.			trans	-69.1	-29.5	-177.9	-67	-174.8	14	0	0	111.7	S239 N340 R342	S239-Q344 PolarHBondContact OG-OE1 3.24Å; S239-Q344 VanDerWaalsContact OG-OE1 3.07Å; N340-Q344 PolarHBondContact OD1-N 2.86Å; N340-Q344 VanDerWaalsContact OD1-N 3.08Å; R342-Q344 HydrophobicContact CB-CG 3.93Å; R342-Q344 PolarHBondContact O-N 3.06Å; R342-Q344 VanDerWaalsContact O-N 3.13Å
345	V	89.3	Confident	93.3	Very high	11 Å²	11	38 Å²	38	7%	0.067	19%	0.194	C	C	.	.	S	Bend	trans	-106	130.3	173.8	-178.7	0	0	0	0	107.7	P174 F236 L237 M257 N340 Q343	P174-V345 HydrophobicContact CG-CG1 4.35Å; F236-V345 HydrophobicContact CD2-CB 4.2Å; F236-V345 HydrophobicContact CD2-CG1 3.67Å; F236-V345 HydrophobicContact CE1-CG2 4.32Å; F236-V345 HydrophobicContact CE2-CB 3.44Å; F236-V345 VanDerWaalsContact CE2-CB 3.44Å; F236-V345 HydrophobicContact CE2-CG1 3.45Å; F236-V345 VanDerWaalsContact CE2-CG1 3.45Å; F236-V345 HydrophobicContact CE2-CG2 3.93Å; F236-V345 HydrophobicContact CG-CG1 4.43Å; F236-V345 HydrophobicContact CZ-CB 3.73Å; F236-V345 HydrophobicContact CZ-CG1 4.05Å; F236-V345 HydrophobicContact CZ-CG2 3.67Å; L237-V345 WeakPolarHBondContact O-CG2 3.22Å; M257-V345 HydrophobicContact SD-CG2 4.19Å; N340-V345 PolarHBondContact ND2-O 3.24Å; Q343-V345 PolarHBondContact O-N 3.41Å
346	P	91.8	Very high	93.3	Very high	79 Å²	79	41.9 Å²	41.9	51%	0.513	21%	0.209	S	C	.	.			trans	-69.3	135.2	178.6	28.5	-34.6	0	0	0	110.8	L173 P174	L173-P346 HydrophobicContact CD2-CB 4.02Å; L173-P346 HydrophobicContact CD2-CG 4.1Å; P174-P346 WeakPolarHBondContact CD-O 3.47Å; P174-P346 VanDerWaalsContact CG-O 3.27Å; P174-P346 WeakPolarHBondContact CG-O 3.45Å
347	E	94.6	Very high	93.4	Very high	8 Å²	8	40.1 Å²	40.1	4%	0.037	20%	0.201	C	C	.	.			trans	-123.7	156.2	177.1	-60.2	-173	-117.8	0	0	110.4	P174 L176 N340 N349 F350 N353	P174-E347 HydrophobicContact CG-CG 4.4Å; P174-E347 CarbonylContact O-C 3.56Å; P174-E347 WeakPolarHBondContact O-CA 3.49Å; P174-E347 WeakPolarHBondContact O-CB 3.21Å; L176-E347 WeakPolarHBondContact CA-OE2 3.45Å; L176-E347 WeakPolarHBondContact CB-OE2 3.33Å; L176-E347 WeakPolarHBondContact CG-OE2 3.3Å; L176-E347 PolarHBondContact N-OE2 3.27Å; N340-E347 WeakPolarHBondContact CB-OE1 3.48Å; N340-E347 PolarHBondContact ND2-OE1 2.74Å; E347-N349 VanDerWaalsContact C-N 3.27Å; E347-N349 PolarHBondContact O-N 3.06Å; E347-F350 HydrophobicContact CB-CD1 4.11Å; E347-F350 HydrophobicContact CB-CE1 3.67Å; E347-F350 HydrophobicContact CB-CE2 4.28Å; E347-F350 HydrophobicContact CB-CZ 3.79Å; E347-F350 HydrophobicContact CG-CD1 4.36Å; E347-F350 HydrophobicContact CG-CE1 3.73Å; E347-F350 HydrophobicContact CG-CZ 4.15Å; E347-N353 PolarHBondContact OE1-ND2 3.3Å
348	S	94.5	Very high	93.5	Very high	71 Å²	71	44.1 Å²	44.1	50%	0.497	22%	0.222	S	C	.	.	S	Bend	trans	-71.3	-25.7	176.9	66.6	0	0	0	0	112.7	P174 D175	P174-S348 PolarHBondContact O-N 3.08Å; D175-S348 WeakPolarHBondContact CB-OG 3.38Å
349	N	93.1	Very high	93.7	Very high	53 Å²	53	44.1 Å²	44.1	28%	0.283	22%	0.223	S	C	.	.			trans	-146.9	136.8	178	-173.5	11.5	0	0	0	108.6	E347 N351 N352 N353	E347-N349 VanDerWaalsContact C-N 3.27Å; E347-N349 PolarHBondContact O-N 3.06Å; N349-N351 WeakPolarHBondContact OD1-CB 3.16Å; N349-N351 PolarHBondContact OD1-N 3.46Å; N349-N352 PolarHBondContact ND2-ND2 2.66Å; N349-N352 PolarHBondContact ND2-OD1 3.02Å; N349-N352 PolarHBondContact O-OD1 3.43Å; N349-N353 PolarHBondContact O-OD1 2.97Å
350	F	94.3	Very high	93.9	Very high	45 Å²	45	47.4 Å²	47.4	20%	0.197	24%	0.24	C	C	.	.			trans	-110.6	-13.4	173.5	-69.1	-74.5	0	0	0	111.8	Q343 E347 N352 N353 Y376	Q343-F350 HydrophobicContact CB-CD1 4.48Å; Q343-F350 HydrophobicContact CB-CE1 3.82Å; Q343-F350 HydrophobicContact CB-CZ 3.97Å; Q343-F350 HydrophobicContact CG-CD1 3.8Å; Q343-F350 HydrophobicContact CG-CE1 3.64Å; Q343-F350 HydrophobicContact CG-CG 4.37Å; Q343-F350 HydrophobicContact CG-CZ 4.11Å; E347-F350 HydrophobicContact CB-CD1 4.11Å; E347-F350 HydrophobicContact CB-CE1 3.67Å; E347-F350 HydrophobicContact CB-CE2 4.28Å; E347-F350 HydrophobicContact CB-CZ 3.79Å; E347-F350 HydrophobicContact CG-CD1 4.36Å; E347-F350 HydrophobicContact CG-CE1 3.73Å; E347-F350 HydrophobicContact CG-CZ 4.15Å; F350-N352 PolarHBondContact O-N 3.4Å; F350-N353 WeakPolarHBondContact CA-OD1 3.37Å; F350-N353 PolarHBondContact O-N 2.64Å; F350-N353 PolarHBondContact O-OD1 2.77Å; F350-Y376 HydrophobicContact CB-CD2 3.97Å; F350-Y376 HydrophobicContact CB-CE2 3.92Å; F350-Y376 WeakPolarHBondContact O-CD2 3.35Å; F350-Y376 WeakPolarHBondContact O-CE2 3.25Å
351	N	94.2	Very high	94.1	Very high	114 Å²	114	48 Å²	48	61%	0.61	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.5	5.2	-172.6	-64.1	-33.8	0	0	0	114.1	N349 G375	N349-N351 WeakPolarHBondContact OD1-CB 3.16Å; N349-N351 PolarHBondContact OD1-N 3.46Å; N351-G375 WeakPolarHBondContact O-CA 3.22Å; N351-G375 PolarHBondContact O-N 3.44Å
352	N	94.9	Very high	94.4	Very high	15 Å²	15	51 Å²	51	8%	0.08	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-128.1	8.4	-176.2	52.2	-26	0	0	0	111.8	D175 V177 P178 Q231 N349 F350 V354	D175-N352 PolarHBondContact OD1-ND2 2.8Å; D175-N352 PolarHBondContact OD1-OD1 3.43Å; D175-N352 PolarHBondContact OD2-ND2 3.01Å; V177-N352 HydrophobicContact CG2-CB 4.2Å; V177-N352 WeakPolarHBondContact CG2-ND2 3.23Å; P178-N352 VanDerWaalsContact CD-O 3.31Å; P178-N352 WeakPolarHBondContact CD-O 3.36Å; Q231-N352 PolarHBondContact NE2-ND2 2.59Å; N349-N352 PolarHBondContact ND2-ND2 2.66Å; N349-N352 PolarHBondContact ND2-OD1 3.02Å; N349-N352 PolarHBondContact O-OD1 3.43Å; F350-N352 PolarHBondContact O-N 3.4Å; N352-V354 VanDerWaalsContact C-N 3.33Å; N352-V354 PolarHBondContact O-N 2.98Å
353	N	95.3	Very high	94.6	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.239	C	C	.	.	S	Bend	trans	-82.5	-8.5	-177.8	-72.9	45.3	0	0	0	113.8	L176 V339 E347 N349 F350 Y376	L176-N353 PolarHBondContact O-OD1 2.75Å; V339-N353 PolarHBondContact N-O 3.18Å; V339-N353 WeakPolarHBondContact O-CB 3.3Å; V339-N353 PolarHBondContact O-ND2 2.95Å; E347-N353 PolarHBondContact OE1-ND2 3.3Å; N349-N353 PolarHBondContact O-OD1 2.97Å; F350-N353 WeakPolarHBondContact CA-OD1 3.37Å; F350-N353 PolarHBondContact O-N 2.64Å; F350-N353 PolarHBondContact O-OD1 2.77Å; N353-Y376 HydrophobicContact CB-CD2 4.48Å; N353-Y376 HydrophobicContact CB-CE2 3.55Å
354	V	96.3	Very high	94.7	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	124.3	-175.5	-171.4	0	0	0	0	110	K336 V337 T338 N352 R356 L373 T374 Y376	K336-V354 HydrophobicContact CD-CG1 4.28Å; K336-V354 HydrophobicContact CG-CG1 3.76Å; V337-V354 CarbonylContact O-C 3.58Å; V337-V354 WeakPolarHBondContact O-CA 3.46Å; T338-V354 HydrophobicContact CG2-CG2 4.08Å; N352-V354 VanDerWaalsContact C-N 3.33Å; N352-V354 PolarHBondContact O-N 2.98Å; V354-R356 HydrophobicContact CG1-CG 4.19Å; V354-L373 CarbonylContact O-C 3.49Å; V354-L373 WeakPolarHBondContact O-CA 3.44Å; V354-T374 WeakPolarHBondContact CB-O 3.36Å; V354-T374 WeakPolarHBondContact CG1-OG1 3.33Å; V354-T374 PolarHBondContact O-N 2.94Å; V354-T374 PolarHBondContact O-OG1 2.8Å; V354-Y376 HydrophobicContact CG2-CD1 4.12Å; V354-Y376 HydrophobicContact CG2-CE1 4.2Å; V354-Y376 HydrophobicContact CG2-CG 4.28Å
355	A	96.4	Very high	95	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.008	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	134.3	166	0	0	0	0	0	109.9	P178 I183 K336 V337 S372 L373	P178-A355 HydrophobicContact CB-CB 4.21Å; P178-A355 HydrophobicContact CG-CB 3.95Å; I183-A355 HydrophobicContact CD1-CB 3.95Å; K336-A355 WeakPolarHBondContact CA-O 3.07Å; V337-A355 PolarHBondContact N-O 2.78Å; V337-A355 PolarHBondContact O-N 3.16Å; A355-S372 WeakPolarHBondContact CA-O 3.42Å; A355-L373 HydrophobicContact CB-CD2 4.44Å
356	R	96.7	Very high	95.3	Very high	81 Å²	81	44.8 Å²	44.8	31%	0.306	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	135.6	174.7	-66.5	-174.1	-169.7	-179.5	1.6	110.9	I334 L335 K336 V354 C371 S372 T374	I334-R356 HydrophobicContact CG2-CB 4.29Å; L335-R356 CarbonylContact O-C 3.59Å; L335-R356 VanDerWaalsContact O-CA 3.3Å; L335-R356 WeakPolarHBondContact O-CA 3.31Å; K336-R356 HydrophobicContact CB-CG 4.39Å; K336-R356 HydrophobicContact CG-CG 4.25Å; V354-R356 HydrophobicContact CG1-CG 4.19Å; R356-C371 CarbonylContact O-C 3.56Å; R356-C371 VanDerWaalsContact O-CA 3.26Å; R356-C371 WeakPolarHBondContact O-CA 2.91Å; R356-S372 PolarHBondContact N-O 2.74Å; R356-S372 PolarHBondContact O-N 2.97Å; R356-T374 HydrophobicContact CB-CG2 4.35Å; R356-T374 HydrophobicContact CG-CG2 4.22Å; R356-T374 PolarHBondContact NE-OG1 3.34Å
357	C	97.3	Very high	95.5	Very high	2 Å²	2	46.8 Å²	46.8	1%	0.014	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	143.8	178	-59	0	0	0	0	110.9	I334 L335 I368 C371	I334-C357 CarbonylContact C-O 3.55Å; I334-C357 VanDerWaalsContact CA-O 3.31Å; I334-C357 WeakPolarHBondContact CA-O 3.17Å; L335-C357 HydrophobicContact CB-CB 4.33Å; L335-C357 PolarHBondContact N-O 2.88Å; L335-C357 PolarHBondContact O-N 2.04Å; C357-I368 HydrophobicContact CB-CG2 3.54Å; C357-C371 HydrophobicContact CB-CB 4.09Å; C357-C371 WeakPolarHBondContact CB-SG 3.2Å; C357-C371 VanDerWaalsContact SG-CA 3.57Å; C357-C371 WeakPolarHBondContact SG-CB 3.45Å; C357-C371 CovalentContact SG-SG 2.03Å; C357-C371 PolarHBondContact SG-SG 2.94Å
358	N	97.6	Very high	95.6	Very high	84 Å²	84	46.8 Å²	46.8	45%	0.449	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	134.8	169.5	-59.1	-47.5	0	0	0	109.5	I368 S369	N358-I368 CarbonylContact O-C 3.44Å; N358-I368 WeakPolarHBondContact O-CA 3.27Å; N358-S369 WeakPolarHBondContact CA-O 3.34Å; N358-S369 WeakPolarHBondContact CB-O 3.35Å; N358-S369 PolarHBondContact N-O 3Å; N358-S369 PolarHBondContact O-N 3.32Å
359	V	97.8	Very high	95.7	Very high	4 Å²	4	45.4 Å²	45.4	2%	0.024	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	122	179.1	-177.6	0	0	0	0	108.8	L222 L265 K332 Y333 L335 A366 H367 I368	L222-V359 HydrophobicContact CD2-CG1 4.43Å; L265-V359 HydrophobicContact CD1-CG2 4.47Å; K332-V359 WeakPolarHBondContact CA-O 3.5Å; Y333-V359 PolarHBondContact N-O 2.97Å; Y333-V359 PolarHBondContact O-N 2.78Å; L335-V359 HydrophobicContact CB-CG2 3.6Å; V359-A366 HydrophobicContact CG1-CB 4.08Å; V359-H367 WeakPolarHBondContact CA-O 3.38Å; V359-I368 HydrophobicContact CG2-CD1 4.19Å; V359-I368 HydrophobicContact CG2-CG1 4.17Å
360	D	97.6	Very high	95.8	Very high	68 Å²	68	45.1 Å²	45.1	36%	0.364	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	105.2	170.4	-162.7	-18.1	0	0	0	108.9	A366 H367	D360-A366 CarbonylContact O-C 3.53Å; D360-A366 WeakPolarHBondContact O-CA 3.21Å; D360-H367 HydrophobicContact CB-CB 4.43Å; D360-H367 PolarHBondContact N-O 3.36Å; D360-H367 PolarHBondContact O-N 2.96Å
361	Y	97.5	Very high	96	Very high	14 Å²	14	44 Å²	44	6%	0.055	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	119	-175.8	177.9	-128.8	0	0	0	111.1	V189 I325 S329 P330 G331 Y333 G363 A365 A366	V189-Y361 HydrophobicContact CG2-CD2 4.37Å; V189-Y361 HydrophobicContact CG2-CE2 4.21Å; I325-Y361 HydrophobicContact CD1-CD2 4.08Å; I325-Y361 HydrophobicContact CD1-CE1 4.16Å; I325-Y361 HydrophobicContact CD1-CE2 3.69Å; I325-Y361 HydrophobicContact CD1-CG 4.5Å; S329-Y361 WeakPolarHBondContact O-CD1 3.46Å; P330-Y361 CarbonylContact C-O 3.57Å; P330-Y361 VanDerWaalsContact CA-O 3.27Å; P330-Y361 WeakPolarHBondContact CA-O 2.85Å; P330-Y361 WeakPolarHBondContact CB-O 2.87Å; G331-Y361 PolarHBondContact N-O 2.79Å; G331-Y361 PolarHBondContact O-N 3.19Å; Y333-Y361 HydrophobicContact CE2-CD1 4.42Å; Y361-G363 WeakPolarHBondContact OH-CA 3.43Å; Y361-G363 PolarHBondContact OH-O 3.09Å; Y361-A365 WeakPolarHBondContact CD2-O 2.99Å; Y361-A366 HydrophobicContact CD2-CB 4.28Å
362	T	96.2	Very high	96	Very high	92 Å²	92	41.3 Å²	41.3	56%	0.564	25%	0.247	S	C	*	.			trans	-96.2	0	-175.5	60.6	0	0	0	0	113.8	N364 A365	T362-N364 VanDerWaalsContact C-N 3.3Å; T362-N364 PolarHBondContact O-N 3.37Å; T362-A365 PolarHBondContact N-O 2.88Å; T362-A365 PolarHBondContact OG1-N 3.14Å; T362-A365 VanDerWaalsContact OG1-N 3.1Å; T362-A365 PolarHBondContact OG1-O 3.48Å
363	G	93	Very high	96	Very high	11 Å²	11	44.1 Å²	44.1	11%	0.113	26%	0.261	C	S	.	.	S	Bend	trans	93.1	-35.3	-170.3	0	0	0	0	0	113.6	R191 Y361	R191-G363 PolarHBondContact NH2-O 3.33Å; Y361-G363 WeakPolarHBondContact OH-CA 3.43Å; Y361-G363 PolarHBondContact OH-O 3.09Å
364	N	92.4	Very high	95.6	Very high	127 Å²	127	45.8 Å²	45.8	68%	0.679	27%	0.272	S	S	*	.	S	Bend	trans	-109.8	-32	179.7	-70.7	-12.3	0	0	0	113.2	T362	T362-N364 VanDerWaalsContact C-N 3.3Å; T362-N364 PolarHBondContact O-N 3.37Å
365	A	94.6	Very high	94.7	Very high	53 Å²	53	47.5 Å²	47.5	44%	0.438	29%	0.289	S	S	.	.			trans	-137.4	157.3	178.2	0	0	0	0	0	110.4	Y361 T362	Y361-A365 WeakPolarHBondContact CD2-O 2.99Å; T362-A365 PolarHBondContact N-O 2.88Å; T362-A365 PolarHBondContact OG1-N 3.14Å; T362-A365 VanDerWaalsContact OG1-N 3.1Å; T362-A365 PolarHBondContact OG1-O 3.48Å
366	A	95.6	Very high	93	Very high	18 Å²	18	53 Å²	53	15%	0.149	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	134.4	171.5	0	0	0	0	0	109.1	V189 L222 V359 D360 Y361	V189-A366 HydrophobicContact CG2-CB 3.54Å; L222-A366 HydrophobicContact CD1-CB 3.76Å; V359-A366 HydrophobicContact CG1-CB 4.08Å; D360-A366 CarbonylContact O-C 3.53Å; D360-A366 WeakPolarHBondContact O-CA 3.21Å; Y361-A366 HydrophobicContact CD2-CB 4.28Å
367	H	96.2	Very high	92.8	Very high	121 Å²	121	51.7 Å²	51.7	56%	0.56	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108	119.8	172.9	178.8	-89.1	0	0	0	109.4	V359 D360	V359-H367 WeakPolarHBondContact CA-O 3.38Å; D360-H367 HydrophobicContact CB-CB 4.43Å; D360-H367 PolarHBondContact N-O 3.36Å; D360-H367 PolarHBondContact O-N 2.96Å
368	I	96.9	Very high	92.6	Very high	8 Å²	8	54.3 Å²	54.3	4%	0.041	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	132.4	179.7	-55.4	-158.7	0	0	0	110.1	Q184 S187 L335 C357 N358 V359 C371	Q184-I368 HydrophobicContact CG-CG2 4.36Å; Q184-I368 WeakPolarHBondContact CG-O 3.09Å; S187-I368 WeakPolarHBondContact OG-CD1 3.42Å; S187-I368 WeakPolarHBondContact OG-CG1 3.09Å; L335-I368 HydrophobicContact CD2-CD1 3.99Å; C357-I368 HydrophobicContact CB-CG2 3.54Å; N358-I368 CarbonylContact O-C 3.44Å; N358-I368 WeakPolarHBondContact O-CA 3.27Å; V359-I368 HydrophobicContact CG2-CD1 4.19Å; V359-I368 HydrophobicContact CG2-CG1 4.17Å; I368-C371 VanDerWaalsContact CG2-SG 3.56Å
369	S	96.6	Very high	92.3	Very high	42 Å²	42	52.6 Å²	52.6	29%	0.294	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	161.4	-178.6	60.2	0	0	0	0	113.1	N358 C371	N358-S369 WeakPolarHBondContact CA-O 3.34Å; N358-S369 WeakPolarHBondContact CB-O 3.35Å; N358-S369 PolarHBondContact N-O 3Å; N358-S369 PolarHBondContact O-N 3.32Å; S369-C371 VanDerWaalsContact C-N 3.28Å; S369-C371 PolarHBondContact O-N 2.81Å
370	G	95.6	Very high	92	Very high	48 Å²	48	55.5 Å²	55.5	50%	0.495	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	64.4	32.5	175.6	0	0	0	0	0	113.3	S372	G370-S372 PolarHBondContact O-N 3.24Å
371	C	96.6	Very high	91.6	Very high	21 Å²	21	54.7 Å²	54.7	14%	0.142	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	127.9	178.2	-69.2	0	0	0	0	111	P180 Q184 R356 C357 I368 S369	P180-C371 HydrophobicContact CB-CB 3.69Å; P180-C371 VanDerWaalsContact O-CB 3.31Å; P180-C371 WeakPolarHBondContact O-CB 3.22Å; Q184-C371 HydrophobicContact CB-CB 4.17Å; Q184-C371 VanDerWaalsContact CB-SG 3.56Å; Q184-C371 VanDerWaalsContact OE1-N 3.07Å; R356-C371 CarbonylContact O-C 3.56Å; R356-C371 VanDerWaalsContact O-CA 3.26Å; R356-C371 WeakPolarHBondContact O-CA 2.91Å; C357-C371 HydrophobicContact CB-CB 4.09Å; C357-C371 WeakPolarHBondContact CB-SG 3.2Å; C357-C371 VanDerWaalsContact SG-CA 3.57Å; C357-C371 WeakPolarHBondContact SG-CB 3.45Å; C357-C371 CovalentContact SG-SG 2.03Å; C357-C371 PolarHBondContact SG-SG 2.94Å; I368-C371 VanDerWaalsContact CG2-SG 3.56Å; S369-C371 VanDerWaalsContact C-N 3.28Å; S369-C371 PolarHBondContact O-N 2.81Å
372	S	95.5	Very high	91.2	Very high	58 Å²	58	57.4 Å²	57.4	41%	0.406	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	155.8	179.6	56.8	0	0	0	0	111.9	A355 R356 G370	A355-S372 WeakPolarHBondContact CA-O 3.42Å; R356-S372 PolarHBondContact N-O 2.74Å; R356-S372 PolarHBondContact O-N 2.97Å; G370-S372 PolarHBondContact O-N 3.24Å
373	L	94.6	Very high	90.9	Very high	73 Å²	73	54.9 Å²	54.9	38%	0.382	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	138.4	169.9	-69	174.5	0	0	0	109.9	V177 P178 P180 V354 A355	V177-L373 HydrophobicContact CG1-CD1 3.54Å; V177-L373 HydrophobicContact CG1-CD2 4.16Å; V177-L373 HydrophobicContact CG1-CG 4.49Å; P178-L373 HydrophobicContact CG-CD2 3.85Å; P178-L373 WeakPolarHBondContact O-CD2 3.44Å; P180-L373 HydrophobicContact CG-CG 4.4Å; V354-L373 CarbonylContact O-C 3.49Å; V354-L373 WeakPolarHBondContact O-CA 3.44Å; A355-L373 HydrophobicContact CB-CD2 4.44Å
374	T	86.3	Confident	90.7	Very high	36 Å²	36	58.3 Å²	58.3	22%	0.221	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	152.8	177.1	57.8	0	0	0	0	110	V354 R356	V354-T374 WeakPolarHBondContact CB-O 3.36Å; V354-T374 WeakPolarHBondContact CG1-OG1 3.33Å; V354-T374 PolarHBondContact O-N 2.94Å; V354-T374 PolarHBondContact O-OG1 2.8Å; R356-T374 HydrophobicContact CB-CG2 4.35Å; R356-T374 HydrophobicContact CG-CG2 4.22Å; R356-T374 PolarHBondContact NE-OG1 3.34Å
375	G	76.9	Confident	90.5	Very high	36 Å²	36	52.6 Å²	52.6	37%	0.371	33%	0.33	S	S	.	.			trans	-65.8	162.2	167.1	0	0	0	0	0	112.6	N351	N351-G375 WeakPolarHBondContact O-CA 3.22Å; N351-G375 PolarHBondContact O-N 3.44Å
376	Y	61.2	Low	90.2	Very high	117 Å²	117	52.5 Å²	52.5	46%	0.459	32%	0.32	S	S	.	.			trans	-57	0	171.1	-92.9	-76.2	0	0	0	112.4	T338 V339 N340 P341 F350 N353 V354	T338-Y376 HydrophobicContact CG2-CE1 3.5Å; T338-Y376 WeakPolarHBondContact CG2-OH 3.41Å; V339-Y376 PolarHBondContact O-OH 3.47Å; N340-Y376 PolarHBondContact O-OH 2.77Å; P341-Y376 WeakPolarHBondContact CA-OH 3.33Å; F350-Y376 HydrophobicContact CB-CD2 3.97Å; F350-Y376 HydrophobicContact CB-CE2 3.92Å; F350-Y376 WeakPolarHBondContact O-CD2 3.35Å; F350-Y376 WeakPolarHBondContact O-CE2 3.25Å; N353-Y376 HydrophobicContact CB-CD2 4.48Å; N353-Y376 HydrophobicContact CB-CE2 3.55Å; V354-Y376 HydrophobicContact CG2-CD1 4.12Å; V354-Y376 HydrophobicContact CG2-CE1 4.2Å; V354-Y376 HydrophobicContact CG2-CG 4.28Å

Retrieved 376 of 376 residues in 260.3 ms (Link to these results)

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