A0A087Y000_POEFO Loading...

P2X purinoceptor

Extracellular ATP-activated non-selective cation channel. Plays particularly important role in sensory neurons where its activation is critical for gustatory, nociceptive responses, visceral reflexes and sensory hypersensitization. Receptor for ATP that acts as a ligand-gated ion channel.

AlphaFold DB , UniProt , Accession A0A087Y000, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 408 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	F	43.7	Very low	57.3	Low	266 Å²	266	128.3 Å²	128.3	100%	1.167	65%	0.654	S	S	*	*				0	119.8	0	-87.2	-94.6	0	0	0	108.7
2	H	47.8	Very low	58.1	Low	139 Å²	139	126.2 Å²	126.2	64%	0.644	64%	0.642	S	S	*	*			trans	-78.4	131.7	-153.9	-96.9	-47.1	0	0	0	115.6	H4 T5	H2-H4 PolarHBondContact O-N 2.85Å; H2-T5 PolarHBondContact O-OG1 3.2Å
3	P	55.2	Low	59.3	Low	99 Å²	99	124.8 Å²	124.8	64%	0.643	63%	0.629	S	S	*	*	H	α-helix	trans	-72.2	-10.3	169.3	26.9	-32.1	0	0	0	114.5
4	H	52.9	Low	60.5	Low	140 Å²	140	123.4 Å²	123.4	65%	0.648	62%	0.624	S	S	*	*	H	α-helix	trans	-73.2	-30.8	177.8	-75.7	-79.6	0	0	0	113.5	H2 M8	H2-H4 PolarHBondContact O-N 2.85Å; H4-M8 WeakPolarHBondContact O-CB 3.42Å; H4-M8 PolarHBondContact O-N 3.37Å
5	T	54.3	Low	61.9	Low	87 Å²	87	126.2 Å²	126.2	53%	0.534	63%	0.631	S	S	.	*	H	α-helix	trans	-72.1	-33.3	178.2	50.6	0	0	0	0	112	H2 W9	H2-T5 PolarHBondContact O-OG1 3.2Å; T5-W9 VanDerWaalsContact O-CB 3.27Å; T5-W9 WeakPolarHBondContact O-CB 3.33Å; T5-W9 PolarHBondContact O-N 3.06Å
6	A	59.2	Low	63.3	Low	63 Å²	63	128.1 Å²	128.1	52%	0.521	63%	0.634	S	S	.	*	H	α-helix	trans	-68.8	-41.3	177.1	0	0	0	0	0	112.9	S10	A6-S10 WeakPolarHBondContact O-CB 3.5Å; A6-S10 PolarHBondContact O-N 3.45Å
7	K	59.5	Low	64.8	Low	172 Å²	172	125.6 Å²	125.6	75%	0.748	63%	0.628	S	S	*	*	H	α-helix	trans	-66.2	-41.6	174.4	-100.2	-176.9	175.6	-179.7	0	112.2	S10 C11	K7-S10 PolarHBondContact O-N 3.47Å; K7-C11 WeakPolarHBondContact O-CB 3.27Å; K7-C11 PolarHBondContact O-N 2.91Å
8	M	57.3	Low	66.1	Low	128 Å²	128	129.9 Å²	129.9	63%	0.631	64%	0.638	S	S	*	*	H	α-helix	trans	-66.7	-39.5	178.5	-163.2	166	77	0	0	111.6	H4 C11 M12	H4-M8 WeakPolarHBondContact O-CB 3.42Å; H4-M8 PolarHBondContact O-N 3.37Å; M8-C11 PolarHBondContact O-N 3.02Å; M8-M12 WeakPolarHBondContact O-CG 3.47Å; M8-M12 PolarHBondContact O-N 3.38Å
9	W	61.2	Low	67.3	Low	167 Å²	167	132.3 Å²	132.3	63%	0.633	65%	0.647	S	S	*	*	H	α-helix	trans	-70.7	-33.4	176.6	-160.8	34.6	0	0	0	113	T5 K13	T5-W9 VanDerWaalsContact O-CB 3.27Å; T5-W9 WeakPolarHBondContact O-CB 3.33Å; T5-W9 PolarHBondContact O-N 3.06Å; W9-K13 WeakPolarHBondContact O-CB 3.3Å; W9-K13 WeakPolarHBondContact O-CG 3.25Å; W9-K13 PolarHBondContact O-N 2.89Å
10	S	70.9	Confident	68.4	Low	62 Å²	62	131.1 Å²	131.1	43%	0.434	65%	0.648	S	S	.	*	H	α-helix	trans	-65.8	-42.7	171.4	-171.6	0	0	0	0	112	A6 K7 K13 N14	A6-S10 WeakPolarHBondContact O-CB 3.5Å; A6-S10 PolarHBondContact O-N 3.45Å; K7-S10 PolarHBondContact O-N 3.47Å; S10-K13 PolarHBondContact O-N 3.35Å; S10-N14 PolarHBondContact O-N 3.3Å
11	C	68.7	Low	69.3	Low	88 Å²	88	130.9 Å²	130.9	60%	0.595	65%	0.654	S	S	*	*	H	α-helix	trans	-63.6	-43.8	176.2	-165.5	0	0	0	0	112.2	K7 M8 K13 N14 F15	K7-C11 WeakPolarHBondContact O-CB 3.27Å; K7-C11 PolarHBondContact O-N 2.91Å; M8-C11 PolarHBondContact O-N 3.02Å; C11-K13 PolarHBondContact O-N 2.9Å; C11-N14 PolarHBondContact O-N 2.94Å; C11-F15 PolarHBondContact O-N 2.75Å
12	M	66.4	Low	71.4	Confident	103 Å²	103	128.3 Å²	128.3	51%	0.507	64%	0.642	S	S	.	*	H	α-helix	trans	-63.6	-39.9	174.9	-72.8	-179.7	68.6	0	0	112.4	M8 F15 F16	M8-M12 WeakPolarHBondContact O-CG 3.47Å; M8-M12 PolarHBondContact O-N 3.38Å; M12-F15 WeakPolarHBondContact O-CB 3.5Å; M12-F15 PolarHBondContact O-N 2.83Å; M12-F16 HydrophobicContact CE-CE2 4.41Å; M12-F16 WeakPolarHBondContact O-CD2 3.3Å; M12-F16 PolarHBondContact O-N 3.28Å; M12-F16 VanDerWaalsContact O-N 3.15Å
13	K	74	Confident	73.2	Confident	108 Å²	108	126.2 Å²	126.2	47%	0.47	64%	0.643	S	S	.	*	H	α-helix	trans	-62.4	-43.5	176.1	-78.6	176.7	-177	176.4	0	111.7	W9 S10 C11 F15 F16 T17	W9-K13 WeakPolarHBondContact O-CB 3.3Å; W9-K13 WeakPolarHBondContact O-CG 3.25Å; W9-K13 PolarHBondContact O-N 2.89Å; S10-K13 PolarHBondContact O-N 3.35Å; C11-K13 PolarHBondContact O-N 2.9Å; K13-F15 VanDerWaalsContact C-N 3.28Å; K13-F15 PolarHBondContact O-N 3.43Å; K13-F16 CarbonylContact O-C 3.54Å; K13-F16 PolarHBondContact O-N 3.44Å; K13-T17 WeakPolarHBondContact O-CG2 3.5Å; K13-T17 PolarHBondContact O-N 3.46Å
14	N	75.9	Confident	74.7	Confident	105 Å²	105	125.3 Å²	125.3	56%	0.561	64%	0.636	S	S	*	*	H	α-helix	trans	-67.5	-26	175.3	-67.3	-6.4	0	0	0	113	S10 C11 T17	S10-N14 PolarHBondContact O-N 3.3Å; C11-N14 PolarHBondContact O-N 2.94Å; N14-T17 PolarHBondContact O-OG1 3.2Å
15	F	80.9	Confident	76.3	Confident	166 Å²	166	124.2 Å²	124.2	73%	0.728	64%	0.639	S	S	*	*	H	α-helix	trans	-72.3	-31.5	173.1	-173.8	-97.2	0	0	0	112.3	C11 M12 K13	C11-F15 PolarHBondContact O-N 2.75Å; M12-F15 WeakPolarHBondContact O-CB 3.5Å; M12-F15 PolarHBondContact O-N 2.83Å; K13-F15 VanDerWaalsContact C-N 3.28Å; K13-F15 PolarHBondContact O-N 3.43Å
16	F	84.4	Confident	77.9	Confident	156 Å²	156	122.2 Å²	122.2	68%	0.684	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96	15.7	177.8	-64.8	-65.9	0	0	0	113.7	M12 K13	M12-F16 HydrophobicContact CE-CE2 4.41Å; M12-F16 WeakPolarHBondContact O-CD2 3.3Å; M12-F16 PolarHBondContact O-N 3.28Å; M12-F16 VanDerWaalsContact O-N 3.15Å; K13-F16 CarbonylContact O-C 3.54Å; K13-F16 PolarHBondContact O-N 3.44Å
17	T	89.2	Confident	79.2	Confident	87 Å²	87	129 Å²	129	53%	0.534	64%	0.644	S	S	.	*			trans	-78.4	129.7	170.7	48.8	0	0	0	0	110.9	K13 N14	K13-T17 WeakPolarHBondContact O-CG2 3.5Å; K13-T17 PolarHBondContact O-N 3.46Å; N14-T17 PolarHBondContact O-OG1 3.2Å
18	Y	88.6	Confident	80.5	Confident	203 Å²	203	122 Å²	122	80%	0.796	62%	0.617	S	S	*	*			trans	-106.8	115.5	172.6	174.4	-101	0	0	0	109.4
19	E	88.6	Confident	82	Confident	174 Å²	174	126 Å²	126	81%	0.813	63%	0.625	S	S	*	*			trans	-85.8	136.8	176.7	-65.3	-174.6	171.5	0	0	110.8
20	T	89.4	Confident	83.2	Confident	109 Å²	109	121.8 Å²	121.8	67%	0.669	62%	0.618	S	S	*	*			trans	-138	144	173.7	-177.5	0	0	0	0	109.5
21	T	87.6	Confident	83.9	Confident	126 Å²	126	119.5 Å²	119.5	77%	0.773	60%	0.601	S	S	*	*			trans	-73.5	139.7	179.2	55	0	0	0	0	110.9	S23	T21-S23 PolarHBondContact O-N 3.16Å
22	K	88	Confident	84.9	Confident	212 Å²	212	116.9 Å²	116.9	92%	0.922	59%	0.589	S	S	*	*			trans	-73	124.9	169.4	-172.9	179.8	178.5	-174.4	0	108.1
23	S	86	Confident	86.1	Confident	95 Å²	95	115 Å²	115	66%	0.664	58%	0.58	S	S	*	*			trans	-112.2	148	-177.3	57.9	0	0	0	0	112.2	T21	T21-S23 PolarHBondContact O-N 3.16Å
24	V	86.3	Confident	86.9	Confident	81 Å²	81	112.4 Å²	112.4	49%	0.491	57%	0.571	S	S	.	*			trans	-99.3	119.4	174.1	-179.4	0	0	0	0	108.8	V26 K365	V24-V26 HydrophobicContact CG1-CG2 4.29Å; V24-K365 WeakPolarHBondContact CG2-O 3.22Å
25	V	87	Confident	87.6	Confident	117 Å²	117	109.4 Å²	109.4	71%	0.709	56%	0.555	S	S	*	*			trans	-95.1	106	178.8	-176.8	0	0	0	0	109.9
26	V	86.3	Confident	88.2	Confident	45 Å²	45	109.5 Å²	109.5	27%	0.273	55%	0.55	S	S	.	*			trans	-88.6	115.4	177.6	179.7	0	0	0	0	110.6	V24 S28 L352 Y362	V24-V26 HydrophobicContact CG1-CG2 4.29Å; V26-S28 PolarHBondContact O-N 2.9Å; V26-L352 HydrophobicContact CG1-CD1 4.04Å; V26-L352 HydrophobicContact CG2-CD1 4.41Å; V26-L352 HydrophobicContact CG2-CD2 3.94Å; V26-Y362 HydrophobicContact CG1-CD1 4.23Å; V26-Y362 HydrophobicContact CG1-CE1 3.55Å; V26-Y362 HydrophobicContact CG2-CD1 4.08Å; V26-Y362 HydrophobicContact CG2-CE1 4.2Å
27	K	86.1	Confident	88.6	Confident	205 Å²	205	106.4 Å²	106.4	89%	0.891	54%	0.54	S	S	*	.			trans	-93.1	62.8	176.5	-64.6	-173.9	178.5	-178.6	0	111.7
28	S	87.4	Confident	88.8	Confident	25 Å²	25	103.4 Å²	103.4	18%	0.175	52%	0.522	C	S	.	.			trans	-111.5	129.9	174.1	174.8	0	0	0	0	110.2	V26 G32	V26-S28 PolarHBondContact O-N 2.9Å; S28-G32 PolarHBondContact O-N 3.49Å
29	W	88	Confident	88.9	Confident	211 Å²	211	95.3 Å²	95.3	80%	0.799	49%	0.491	S	S	*	.	H	α-helix	trans	-64.2	-42.7	-178.9	-171.7	80.2	0	0	0	111.9	G32 I33	W29-G32 PolarHBondContact O-N 2.89Å; W29-I33 HydrophobicContact CD2-CD1 3.51Å; W29-I33 HydrophobicContact CD2-CG1 4.39Å; W29-I33 HydrophobicContact CE3-CD1 3.72Å; W29-I33 HydrophobicContact CG-CD1 4.3Å; W29-I33 HydrophobicContact CH2-CD1 3.39Å; W29-I33 HydrophobicContact CZ2-CD1 3.17Å; W29-I33 HydrophobicContact CZ3-CD1 3.66Å; W29-I33 WeakPolarHBondContact O-CG1 3.48Å; W29-I33 PolarHBondContact O-N 3.31Å
30	T	87.2	Confident	89.2	Confident	79 Å²	79	92.8 Å²	92.8	49%	0.485	48%	0.482	S	S	.	.	H	α-helix	trans	-60.6	-49.6	179.7	-47.2	0	0	0	0	112	I33 I34	T30-I33 PolarHBondContact O-N 2.88Å; T30-I34 HydrophobicContact CG2-CD1 4.17Å; T30-I34 VanDerWaalsContact O-CG1 3.3Å; T30-I34 WeakPolarHBondContact O-CG1 3.22Å; T30-I34 PolarHBondContact O-N 3.3Å
31	I	86.4	Confident	89.5	Confident	14 Å²	14	92.3 Å²	92.3	7%	0.072	48%	0.475	C	S	.	.	H	α-helix	trans	-70.9	-37.2	178.6	-72.1	-62.2	0	0	0	111.6	I33 I34 N35 I351 L352 L356	I31-I33 VanDerWaalsContact C-N 3.33Å; I31-I33 PolarHBondContact O-N 3.43Å; I31-I34 PolarHBondContact O-N 3.46Å; I31-N35 VanDerWaalsContact O-CB 3.26Å; I31-N35 WeakPolarHBondContact O-CB 3.33Å; I31-N35 PolarHBondContact O-N 3.33Å; I31-I351 HydrophobicContact CD1-CB 4.42Å; I31-I351 HydrophobicContact CD1-CG2 3.78Å; I31-L352 HydrophobicContact CD1-CB 4.35Å; I31-L352 HydrophobicContact CG1-CD1 3.98Å; I31-L356 HydrophobicContact CD1-CD1 3.36Å; I31-L356 HydrophobicContact CG1-CD1 3.44Å; I31-L356 VanDerWaalsContact CG1-CD1 3.44Å; I31-L356 HydrophobicContact CG1-CD2 4.39Å
32	G	89.6	Confident	89.8	Confident	34 Å²	34	87.9 Å²	87.9	35%	0.351	45%	0.446	S	S	.	.	H	α-helix	trans	-57	-47	174.4	0	0	0	0	0	111.8	S28 W29 R36	S28-G32 PolarHBondContact O-N 3.49Å; W29-G32 PolarHBondContact O-N 2.89Å; G32-R36 WeakPolarHBondContact O-CB 3.26Å; G32-R36 VanDerWaalsContact O-CG 3.27Å; G32-R36 WeakPolarHBondContact O-CG 3.32Å; G32-R36 PolarHBondContact O-N 3.13Å
33	I	91.6	Very high	90.1	Very high	63 Å²	63	81.7 Å²	81.7	32%	0.323	42%	0.422	S	S	.	.	H	α-helix	trans	-64.6	-49.7	176.9	-73.2	178.4	0	0	0	111.4	W29 T30 I31 N35 R36 I37	W29-I33 HydrophobicContact CD2-CD1 3.51Å; W29-I33 HydrophobicContact CD2-CG1 4.39Å; W29-I33 HydrophobicContact CE3-CD1 3.72Å; W29-I33 HydrophobicContact CG-CD1 4.3Å; W29-I33 HydrophobicContact CH2-CD1 3.39Å; W29-I33 HydrophobicContact CZ2-CD1 3.17Å; W29-I33 HydrophobicContact CZ3-CD1 3.66Å; W29-I33 WeakPolarHBondContact O-CG1 3.48Å; W29-I33 PolarHBondContact O-N 3.31Å; T30-I33 PolarHBondContact O-N 2.88Å; I31-I33 VanDerWaalsContact C-N 3.33Å; I31-I33 PolarHBondContact O-N 3.43Å; I33-N35 VanDerWaalsContact C-N 3.32Å; I33-N35 PolarHBondContact O-N 2.94Å; I33-R36 PolarHBondContact O-N 2.95Å; I33-I37 HydrophobicContact CG2-CD1 3.53Å; I33-I37 HydrophobicContact CG2-CG1 4.19Å; I33-I37 WeakPolarHBondContact O-CB 3.31Å; I33-I37 WeakPolarHBondContact O-CG1 3.17Å; I33-I37 PolarHBondContact O-N 3.35Å
34	I	89.8	Confident	90.6	Very high	54 Å²	54	80.4 Å²	80.4	28%	0.277	41%	0.413	S	S	.	.	H	α-helix	trans	-57.2	-47.7	-179.7	-69.7	168.4	0	0	0	110.5	T30 I31 R36 I37 V38 I351	T30-I34 HydrophobicContact CG2-CD1 4.17Å; T30-I34 VanDerWaalsContact O-CG1 3.3Å; T30-I34 WeakPolarHBondContact O-CG1 3.22Å; T30-I34 PolarHBondContact O-N 3.3Å; I31-I34 PolarHBondContact O-N 3.46Å; I34-R36 PolarHBondContact O-N 3.46Å; I34-I37 PolarHBondContact O-N 3.14Å; I34-V38 HydrophobicContact CG2-CG2 4.48Å; I34-V38 WeakPolarHBondContact O-CG2 3.49Å; I34-V38 PolarHBondContact O-N 2.81Å; I34-I351 HydrophobicContact CD1-CG2 4.45Å; I34-I351 HydrophobicContact CG2-CD1 4Å
35	N	90.5	Very high	91.1	Very high	42 Å²	42	82.4 Å²	82.4	23%	0.225	41%	0.413	C	S	.	.	H	α-helix	trans	-60.7	-45.8	178.2	-174.1	20.1	0	0	0	111.7	I31 I33 I37 V38 Q39 C348	I31-N35 VanDerWaalsContact O-CB 3.26Å; I31-N35 WeakPolarHBondContact O-CB 3.33Å; I31-N35 PolarHBondContact O-N 3.33Å; I33-N35 VanDerWaalsContact C-N 3.32Å; I33-N35 PolarHBondContact O-N 2.94Å; N35-I37 PolarHBondContact O-N 3.37Å; N35-V38 PolarHBondContact O-N 3.49Å; N35-Q39 WeakPolarHBondContact O-CB 3.18Å; N35-Q39 WeakPolarHBondContact O-CG 3.45Å; N35-Q39 PolarHBondContact O-N 3.02Å; N35-Q39 PolarHBondContact OD1-NE2 3.1Å; N35-Q39 VanDerWaalsContact OD1-NE2 3.13Å; N35-C348 VanDerWaalsContact CA-SG 3.52Å
36	R	93.6	Very high	91.5	Very high	168 Å²	168	78.1 Å²	78.1	63%	0.634	39%	0.385	S	S	*	.	H	α-helix	trans	-65.9	-36.2	178.3	-68.7	-59.6	-176.7	-171.3	5.3	113	G32 I33 I34 L40	G32-R36 WeakPolarHBondContact O-CB 3.26Å; G32-R36 VanDerWaalsContact O-CG 3.27Å; G32-R36 WeakPolarHBondContact O-CG 3.32Å; G32-R36 PolarHBondContact O-N 3.13Å; I33-R36 PolarHBondContact O-N 2.95Å; I34-R36 PolarHBondContact O-N 3.46Å; R36-L40 VanDerWaalsContact O-CB 3.3Å; R36-L40 WeakPolarHBondContact O-CB 3.2Å; R36-L40 PolarHBondContact O-N 3.02Å
37	I	93.9	Very high	92	Very high	90 Å²	90	80.5 Å²	80.5	46%	0.462	40%	0.395	S	S	.	.	H	α-helix	trans	-64.5	-47.6	174.3	-71.1	172.6	0	0	0	110.5	I33 I34 N35 Q39 L40 I41	I33-I37 HydrophobicContact CG2-CD1 3.53Å; I33-I37 HydrophobicContact CG2-CG1 4.19Å; I33-I37 WeakPolarHBondContact O-CB 3.31Å; I33-I37 WeakPolarHBondContact O-CG1 3.17Å; I33-I37 PolarHBondContact O-N 3.35Å; I34-I37 PolarHBondContact O-N 3.14Å; N35-I37 PolarHBondContact O-N 3.37Å; I37-Q39 VanDerWaalsContact C-N 3.33Å; I37-Q39 PolarHBondContact O-N 3.04Å; I37-L40 WeakPolarHBondContact O-CB 3.48Å; I37-L40 PolarHBondContact O-N 2.88Å; I37-L40 VanDerWaalsContact O-N 3.16Å; I37-I41 HydrophobicContact CG2-CD1 3.83Å; I37-I41 HydrophobicContact CG2-CG1 4.43Å; I37-I41 WeakPolarHBondContact O-CG1 3.26Å; I37-I41 PolarHBondContact O-N 3.05Å
38	V	92	Very high	92.5	Very high	25 Å²	25	72.3 Å²	72.3	15%	0.152	37%	0.369	C	S	.	.	H	α-helix	trans	-59.7	-45.4	177.8	171.9	0	0	0	0	110.8	I34 N35 L40 I41 I42 L347	I34-V38 HydrophobicContact CG2-CG2 4.48Å; I34-V38 WeakPolarHBondContact O-CG2 3.49Å; I34-V38 PolarHBondContact O-N 2.81Å; N35-V38 PolarHBondContact O-N 3.49Å; V38-L40 VanDerWaalsContact C-N 3.35Å; V38-L40 PolarHBondContact O-N 3.24Å; V38-I41 PolarHBondContact O-N 3.03Å; V38-I42 HydrophobicContact CG1-CD1 3.97Å; V38-I42 WeakPolarHBondContact O-CG1 3.45Å; V38-I42 PolarHBondContact O-N 3.45Å; V38-L347 HydrophobicContact CG2-CD2 4.09Å
39	Q	92.7	Very high	92.9	Very high	32 Å²	32	76.8 Å²	76.8	15%	0.15	38%	0.382	C	S	.	.	H	α-helix	trans	-59.5	-44.4	174.9	-69.8	176.4	-0.6	0	0	112	N35 I37 I41 I42 I43 V341	N35-Q39 WeakPolarHBondContact O-CB 3.18Å; N35-Q39 WeakPolarHBondContact O-CG 3.45Å; N35-Q39 PolarHBondContact O-N 3.02Å; N35-Q39 PolarHBondContact OD1-NE2 3.1Å; N35-Q39 VanDerWaalsContact OD1-NE2 3.13Å; I37-Q39 VanDerWaalsContact C-N 3.33Å; I37-Q39 PolarHBondContact O-N 3.04Å; Q39-I41 PolarHBondContact O-N 3.3Å; Q39-I42 PolarHBondContact O-N 3.49Å; Q39-I43 WeakPolarHBondContact O-CB 3.12Å; Q39-I43 VanDerWaalsContact O-CG1 3.25Å; Q39-I43 WeakPolarHBondContact O-CG1 3.48Å; Q39-I43 PolarHBondContact O-N 3.33Å; Q39-V341 HydrophobicContact CB-CG1 4.46Å; Q39-V341 HydrophobicContact CG-CG1 3.92Å
40	L	94.7	Very high	93.3	Very high	121 Å²	121	67.6 Å²	67.6	63%	0.634	35%	0.349	S	S	*	.	H	α-helix	trans	-62.7	-41.6	178.5	-172	115.1	0	0	0	111.6	R36 I37 V38 I43 S44	R36-L40 VanDerWaalsContact O-CB 3.3Å; R36-L40 WeakPolarHBondContact O-CB 3.2Å; R36-L40 PolarHBondContact O-N 3.02Å; I37-L40 WeakPolarHBondContact O-CB 3.48Å; I37-L40 PolarHBondContact O-N 2.88Å; I37-L40 VanDerWaalsContact O-N 3.16Å; V38-L40 VanDerWaalsContact C-N 3.35Å; V38-L40 PolarHBondContact O-N 3.24Å; L40-I43 PolarHBondContact O-N 3.33Å; L40-S44 VanDerWaalsContact O-CB 3.25Å; L40-S44 WeakPolarHBondContact O-CB 3.46Å; L40-S44 PolarHBondContact O-N 2.85Å; L40-S44 PolarHBondContact O-OG 3.04Å
41	I	94.8	Very high	93.7	Very high	100 Å²	100	65.8 Å²	65.8	51%	0.513	34%	0.335	S	S	.	.	H	α-helix	trans	-60	-50.5	175.5	-69.5	166.5	0	0	0	110.1	I37 V38 Q39 I43 S44 Y45	I37-I41 HydrophobicContact CG2-CD1 3.83Å; I37-I41 HydrophobicContact CG2-CG1 4.43Å; I37-I41 WeakPolarHBondContact O-CG1 3.26Å; I37-I41 PolarHBondContact O-N 3.05Å; V38-I41 PolarHBondContact O-N 3.03Å; Q39-I41 PolarHBondContact O-N 3.3Å; I41-I43 PolarHBondContact O-N 3.15Å; I41-S44 WeakPolarHBondContact CA-OG 3.37Å; I41-S44 PolarHBondContact O-N 2.99Å; I41-S44 PolarHBondContact O-OG 2.83Å; I41-Y45 PolarHBondContact O-N 2.83Å
42	I	94.4	Very high	94.1	Very high	32 Å²	32	70.6 Å²	70.6	16%	0.164	36%	0.359	C	S	.	.	H	α-helix	trans	-59.8	-48.6	179.3	-65.1	167.4	0	0	0	110.5	V38 Q39 S44 Y45 F46 V341	V38-I42 HydrophobicContact CG1-CD1 3.97Å; V38-I42 WeakPolarHBondContact O-CG1 3.45Å; V38-I42 PolarHBondContact O-N 3.45Å; Q39-I42 PolarHBondContact O-N 3.49Å; I42-S44 VanDerWaalsContact C-N 3.34Å; I42-S44 PolarHBondContact O-N 2.98Å; I42-Y45 WeakPolarHBondContact O-CB 3.26Å; I42-Y45 PolarHBondContact O-N 2.85Å; I42-F46 HydrophobicContact CG2-CD2 3.92Å; I42-F46 HydrophobicContact CG2-CE2 3.96Å; I42-F46 WeakPolarHBondContact O-CD2 3.45Å; I42-F46 PolarHBondContact O-N 3.2Å; I42-V341 HydrophobicContact CG2-CG2 4.01Å
43	I	94.4	Very high	94.4	Very high	82 Å²	82	77.3 Å²	77.3	42%	0.421	37%	0.374	S	S	.	.	H	α-helix	trans	-60.9	-44.4	179.1	-69.8	168	0	0	0	110.8	Q39 L40 I41 Y45 F46 I47 V341	Q39-I43 WeakPolarHBondContact O-CB 3.12Å; Q39-I43 VanDerWaalsContact O-CG1 3.25Å; Q39-I43 WeakPolarHBondContact O-CG1 3.48Å; Q39-I43 PolarHBondContact O-N 3.33Å; L40-I43 PolarHBondContact O-N 3.33Å; I41-I43 PolarHBondContact O-N 3.15Å; I43-Y45 VanDerWaalsContact C-N 3.31Å; I43-Y45 PolarHBondContact O-N 3.33Å; I43-F46 PolarHBondContact O-N 3.42Å; I43-I47 HydrophobicContact CG2-CD1 3.59Å; I43-I47 HydrophobicContact CG2-CG1 4.28Å; I43-I47 WeakPolarHBondContact O-CG1 3.43Å; I43-I47 PolarHBondContact O-N 3.41Å; I43-V341 HydrophobicContact CG1-CG2 4.07Å
44	S	96.2	Very high	94.6	Very high	68 Å²	68	78.9 Å²	78.9	48%	0.476	38%	0.38	S	S	.	.	H	α-helix	trans	-63	-36.9	178.6	72.3	0	0	0	0	112.4	L40 I41 I42 G48	L40-S44 VanDerWaalsContact O-CB 3.25Å; L40-S44 WeakPolarHBondContact O-CB 3.46Å; L40-S44 PolarHBondContact O-N 2.85Å; L40-S44 PolarHBondContact O-OG 3.04Å; I41-S44 WeakPolarHBondContact CA-OG 3.37Å; I41-S44 PolarHBondContact O-N 2.99Å; I41-S44 PolarHBondContact O-OG 2.83Å; I42-S44 VanDerWaalsContact C-N 3.34Å; I42-S44 PolarHBondContact O-N 2.98Å; S44-G48 PolarHBondContact O-N 3.03Å
45	Y	96.1	Very high	94.9	Very high	124 Å²	124	78.8 Å²	78.8	49%	0.486	38%	0.378	S	S	.	.	H	α-helix	trans	-63.1	-48.6	173.5	167.6	-95.8	0	0	0	111.2	I41 I42 I43 W49 V50	I41-Y45 PolarHBondContact O-N 2.83Å; I42-Y45 WeakPolarHBondContact O-CB 3.26Å; I42-Y45 PolarHBondContact O-N 2.85Å; I43-Y45 VanDerWaalsContact C-N 3.31Å; I43-Y45 PolarHBondContact O-N 3.33Å; Y45-W49 HydrophobicContact CD2-CB 3.96Å; Y45-W49 HydrophobicContact CD2-CG 4.41Å; Y45-W49 HydrophobicContact CE2-CB 3.9Å; Y45-W49 AromaticContact CE2-CD1 3.77Å; Y45-W49 AromaticContact CE2-CG 3.88Å; Y45-W49 HydrophobicContact CE2-CG 3.88Å; Y45-W49 AromaticContact CZ-CD1 3.89Å; Y45-W49 WeakPolarHBondContact O-CA 3.22Å; Y45-W49 WeakPolarHBondContact O-CB 3.35Å; Y45-W49 PolarHBondContact O-N 2.93Å; Y45-V50 HydrophobicContact CD1-CG2 4.39Å; Y45-V50 HydrophobicContact CE1-CG2 3.79Å; Y45-V50 PolarHBondContact O-N 3.46Å
46	F	96.4	Very high	95.1	Very high	27 Å²	27	77.9 Å²	77.9	12%	0.118	38%	0.376	C	S	.	.	I	π-helix	trans	-62.7	-46.8	178.5	-87	-84.7	0	0	0	111.7	I42 I43 V50 F51 A337 S340	I42-F46 HydrophobicContact CG2-CD2 3.92Å; I42-F46 HydrophobicContact CG2-CE2 3.96Å; I42-F46 WeakPolarHBondContact O-CD2 3.45Å; I42-F46 PolarHBondContact O-N 3.2Å; I43-F46 PolarHBondContact O-N 3.42Å; F46-V50 HydrophobicContact CD1-CB 4.09Å; F46-V50 HydrophobicContact CD1-CG1 4.29Å; F46-V50 HydrophobicContact CD1-CG2 3.88Å; F46-V50 HydrophobicContact CE1-CG2 4.25Å; F46-V50 HydrophobicContact CG-CG2 4.46Å; F46-V50 WeakPolarHBondContact O-CB 3.36Å; F46-V50 PolarHBondContact O-N 2.91Å; F46-F51 WeakPolarHBondContact O-CD2 3.37Å; F46-F51 PolarHBondContact O-N 3.26Å; F46-A337 HydrophobicContact CB-CB 4.07Å; F46-A337 HydrophobicContact CD1-CB 3.5Å; F46-A337 HydrophobicContact CD2-CB 4.13Å; F46-A337 HydrophobicContact CE1-CB 3.92Å; F46-A337 HydrophobicContact CG-CB 3.62Å; F46-A337 HydrophobicContact CZ-CB 4.42Å; F46-S340 VanDerWaalsContact CE2-CB 3.5Å; F46-S340 WeakPolarHBondContact CZ-OG 3.25Å
47	I	96.2	Very high	95.2	Very high	94 Å²	94	72.7 Å²	72.7	48%	0.482	36%	0.357	S	S	.	.	I	π-helix	trans	-65.2	-50.7	-179.8	-65.4	173.1	0	0	0	110.8	I43 F51 I52	I43-I47 HydrophobicContact CG2-CD1 3.59Å; I43-I47 HydrophobicContact CG2-CG1 4.28Å; I43-I47 WeakPolarHBondContact O-CG1 3.43Å; I43-I47 PolarHBondContact O-N 3.41Å; I47-F51 WeakPolarHBondContact O-CB 3.45Å; I47-I52 HydrophobicContact CG2-CD1 4.11Å; I47-I52 VanDerWaalsContact O-CG1 3.26Å; I47-I52 WeakPolarHBondContact O-CG1 3.45Å; I47-I52 PolarHBondContact O-N 3.02Å
48	G	96.5	Very high	95.4	Very high	34 Å²	34	68.9 Å²	68.9	35%	0.351	34%	0.337	S	S	.	.	I	π-helix	trans	-74.4	-50.9	-174.3	0	0	0	0	0	113.6	S44 I52 W53	S44-G48 PolarHBondContact O-N 3.03Å; G48-I52 WeakPolarHBondContact O-CB 3.35Å; G48-W53 PolarHBondContact O-N 3.23Å
49	W	96.7	Very high	95.6	Very high	118 Å²	118	69.8 Å²	69.8	45%	0.447	34%	0.343	S	S	.	.	I	π-helix	trans	-84.8	-59	-175.8	-173.1	-96.7	0	0	0	111.7	Y45 W53 E54	Y45-W49 HydrophobicContact CD2-CB 3.96Å; Y45-W49 HydrophobicContact CD2-CG 4.41Å; Y45-W49 HydrophobicContact CE2-CB 3.9Å; Y45-W49 AromaticContact CE2-CD1 3.77Å; Y45-W49 AromaticContact CE2-CG 3.88Å; Y45-W49 HydrophobicContact CE2-CG 3.88Å; Y45-W49 AromaticContact CZ-CD1 3.89Å; Y45-W49 WeakPolarHBondContact O-CA 3.22Å; Y45-W49 WeakPolarHBondContact O-CB 3.35Å; Y45-W49 PolarHBondContact O-N 2.93Å; W49-W53 HydrophobicContact CE3-CB 4.3Å; W49-W53 AromaticContact CE3-CD1 3.95Å; W49-W53 HydrophobicContact CE3-CG 4.08Å; W49-W53 AromaticContact CH2-CD1 3.75Å; W49-W53 AromaticContact CH2-NE1 3.68Å; W49-W53 AromaticContact CZ3-CD1 3.72Å; W49-W53 HydrophobicContact CZ3-CD2 4.39Å; W49-W53 HydrophobicContact CZ3-CG 4.08Å; W49-W53 AromaticContact CZ3-NE1 3.83Å; W49-W53 VanDerWaalsContact O-CB 3.3Å; W49-W53 WeakPolarHBondContact O-CB 3.32Å; W49-W53 PolarHBondContact O-N 3.06Å; W49-E54 PolarHBondContact O-N 3.24Å
50	V	96.7	Very high	95.8	Very high	19 Å²	19	73.2 Å²	73.2	12%	0.115	35%	0.354	C	S	.	.	I	π-helix	trans	-70.9	-47.5	-171.1	-179.1	0	0	0	0	111.7	Y45 F46 K55 A56	Y45-V50 HydrophobicContact CD1-CG2 4.39Å; Y45-V50 HydrophobicContact CE1-CG2 3.79Å; Y45-V50 PolarHBondContact O-N 3.46Å; F46-V50 HydrophobicContact CD1-CB 4.09Å; F46-V50 HydrophobicContact CD1-CG1 4.29Å; F46-V50 HydrophobicContact CD1-CG2 3.88Å; F46-V50 HydrophobicContact CE1-CG2 4.25Å; F46-V50 HydrophobicContact CG-CG2 4.46Å; F46-V50 WeakPolarHBondContact O-CB 3.36Å; F46-V50 PolarHBondContact O-N 2.91Å; V50-K55 PolarHBondContact O-N 3.3Å; V50-A56 HydrophobicContact CG1-CB 3.72Å; V50-A56 VanDerWaalsContact O-CB 3.24Å; V50-A56 WeakPolarHBondContact O-CB 3.38Å; V50-A56 PolarHBondContact O-N 3.47Å; V50-A56 VanDerWaalsContact O-N 3.08Å
51	F	95.6	Very high	95.8	Very high	41 Å²	41	67.7 Å²	67.7	18%	0.18	33%	0.326	C	S	.	.	I	π-helix	trans	-81.9	-52.2	-179	-78.6	-78.4	0	0	0	112.1	F46 I47 K55 Y57 T330 N333 M334	F46-F51 WeakPolarHBondContact O-CD2 3.37Å; F46-F51 PolarHBondContact O-N 3.26Å; I47-F51 WeakPolarHBondContact O-CB 3.45Å; F51-K55 WeakPolarHBondContact O-CA 3.47Å; F51-K55 PolarHBondContact O-N 2.99Å; F51-Y57 HydrophobicContact CD1-CD1 4.16Å; F51-Y57 VanDerWaalsContact O-CD1 3.24Å; F51-Y57 WeakPolarHBondContact O-CD1 3.31Å; F51-Y57 WeakPolarHBondContact O-CE1 3.44Å; F51-T330 HydrophobicContact CE1-CG2 4.34Å; F51-N333 HydrophobicContact CE1-CB 4.25Å; F51-N333 HydrophobicContact CE2-CB 4.47Å; F51-N333 HydrophobicContact CZ-CB 3.82Å; F51-M334 HydrophobicContact CZ-CB 4.47Å
52	I	94.6	Very high	95.8	Very high	115 Å²	115	67.8 Å²	67.8	59%	0.59	33%	0.331	S	S	*	.	I	π-helix	trans	-80.7	-49.9	-173.3	-66.6	166.6	0	0	0	112.7	I47 G48	I47-I52 HydrophobicContact CG2-CD1 4.11Å; I47-I52 VanDerWaalsContact O-CG1 3.26Å; I47-I52 WeakPolarHBondContact O-CG1 3.45Å; I47-I52 PolarHBondContact O-N 3.02Å; G48-I52 WeakPolarHBondContact O-CB 3.35Å
53	W	95.1	Very high	95.8	Very high	175 Å²	175	69.4 Å²	69.4	66%	0.663	35%	0.349	S	S	*	.	I	π-helix	trans	-75.9	-55.2	-174.7	-174.4	-94	0	0	0	112.8	G48 W49 K55	G48-W53 PolarHBondContact O-N 3.23Å; W49-W53 HydrophobicContact CE3-CB 4.3Å; W49-W53 AromaticContact CE3-CD1 3.95Å; W49-W53 HydrophobicContact CE3-CG 4.08Å; W49-W53 AromaticContact CH2-CD1 3.75Å; W49-W53 AromaticContact CH2-NE1 3.68Å; W49-W53 AromaticContact CZ3-CD1 3.72Å; W49-W53 HydrophobicContact CZ3-CD2 4.39Å; W49-W53 HydrophobicContact CZ3-CG 4.08Å; W49-W53 AromaticContact CZ3-NE1 3.83Å; W49-W53 VanDerWaalsContact O-CB 3.3Å; W49-W53 WeakPolarHBondContact O-CB 3.32Å; W49-W53 PolarHBondContact O-N 3.06Å; W53-K55 VanDerWaalsContact C-N 3.31Å; W53-K55 PolarHBondContact O-N 3.31Å
54	E	95.3	Very high	95.8	Very high	95 Å²	95	67.1 Å²	67.1	44%	0.444	34%	0.337	S	S	.	.	S	Bend	trans	-77	-18.2	-179.5	-69	-61.5	147.4	0	0	113	W49 A56 R60	W49-E54 PolarHBondContact O-N 3.24Å; E54-A56 VanDerWaalsContact C-N 3.32Å; E54-A56 PolarHBondContact O-N 3.21Å; E54-R60 PolarHBondContact O-NH2 3.42Å
55	K	96.3	Very high	95.9	Very high	52 Å²	52	68.3 Å²	68.3	23%	0.226	34%	0.335	C	S	.	.			trans	54.2	46.1	-175.5	-50.3	-176.4	-174.1	179.8	0	112.7	V50 F51 W53 Y57 Q58 D257	V50-K55 PolarHBondContact O-N 3.3Å; F51-K55 WeakPolarHBondContact O-CA 3.47Å; F51-K55 PolarHBondContact O-N 2.99Å; W53-K55 VanDerWaalsContact C-N 3.31Å; W53-K55 PolarHBondContact O-N 3.31Å; K55-Y57 HydrophobicContact CB-CD1 4.49Å; K55-Y57 HydrophobicContact CB-CE1 4Å; K55-Y57 HydrophobicContact CG-CE1 4.29Å; K55-Y57 PolarHBondContact O-N 2.8Å; K55-Q58 HydrophobicContact CB-CG 4.18Å; K55-Q58 WeakPolarHBondContact O-CB 3.16Å; K55-Q58 PolarHBondContact O-N 3.32Å; K55-D257 IonicContact NZ-OD2 3.64Å; K55-D257 PolarHBondContact NZ-OD2 3.36Å
56	A	95.3	Very high	95.9	Very high	23 Å²	23	65 Å²	65	19%	0.19	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-8.3	-178.9	0	0	0	0	0	113.8	V50 E54 N333	V50-A56 HydrophobicContact CG1-CB 3.72Å; V50-A56 VanDerWaalsContact O-CB 3.24Å; V50-A56 WeakPolarHBondContact O-CB 3.38Å; V50-A56 PolarHBondContact O-N 3.47Å; V50-A56 VanDerWaalsContact O-N 3.08Å; E54-A56 VanDerWaalsContact C-N 3.32Å; E54-A56 PolarHBondContact O-N 3.21Å; A56-N333 WeakPolarHBondContact CB-ND2 3.26Å; A56-N333 PolarHBondContact O-ND2 2.82Å
57	Y	96.1	Very high	95.8	Very high	59 Å²	59	67.5 Å²	67.5	23%	0.231	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-9.1	170.3	61.6	-97.1	0	0	0	113.7	F51 K55 D259 F325 N326 T330	F51-Y57 HydrophobicContact CD1-CD1 4.16Å; F51-Y57 VanDerWaalsContact O-CD1 3.24Å; F51-Y57 WeakPolarHBondContact O-CD1 3.31Å; F51-Y57 WeakPolarHBondContact O-CE1 3.44Å; K55-Y57 HydrophobicContact CB-CD1 4.49Å; K55-Y57 HydrophobicContact CB-CE1 4Å; K55-Y57 HydrophobicContact CG-CE1 4.29Å; K55-Y57 PolarHBondContact O-N 2.8Å; Y57-D259 WeakPolarHBondContact CE2-OD2 3.5Å; Y57-F325 AromaticContact CD2-CD2 3.86Å; Y57-F325 HydrophobicContact CD2-CD2 3.86Å; Y57-N326 PolarHBondContact O-N 2.79Å; Y57-T330 WeakPolarHBondContact CA-OG1 3.11Å; Y57-T330 WeakPolarHBondContact CB-OG1 3.3Å; Y57-T330 PolarHBondContact O-OG1 3.4Å
58	Q	96.8	Very high	95.9	Very high	10 Å²	10	64.2 Å²	64.2	5%	0.047	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	144.8	-179.4	-60	-175.2	-31.6	0	0	111.4	K55 D257 D259 K324	K55-Q58 HydrophobicContact CB-CG 4.18Å; K55-Q58 WeakPolarHBondContact O-CB 3.16Å; K55-Q58 PolarHBondContact O-N 3.32Å; Q58-D257 PolarHBondContact NE2-OD1 2.88Å; Q58-D259 PolarHBondContact NE2-OD2 3.38Å; Q58-K324 CarbonylContact C-O 3.05Å; Q58-K324 WeakPolarHBondContact CA-O 3.04Å; Q58-K324 WeakPolarHBondContact CB-O 3.29Å
59	V	97	Very high	95.9	Very high	45 Å²	45	67 Å²	67	27%	0.273	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	141.2	157	172.4	0	0	0	0	107.4	T192 F193 G323 K324 N326 P329	V59-T192 HydrophobicContact CG1-CG2 4.41Å; V59-F193 HydrophobicContact CB-CE1 4.22Å; V59-F193 HydrophobicContact CB-CZ 4.22Å; V59-F193 HydrophobicContact CG1-CE1 4.19Å; V59-F193 HydrophobicContact CG1-CZ 4.04Å; V59-F193 VanDerWaalsContact O-CZ 3.3Å; V59-F193 WeakPolarHBondContact O-CZ 3.43Å; V59-G323 WeakPolarHBondContact O-CA 3.41Å; V59-K324 PolarHBondContact N-O 2.86Å; V59-K324 PolarHBondContact O-N 2.71Å; V59-N326 HydrophobicContact CB-CB 4.34Å; V59-N326 HydrophobicContact CG2-CB 3.51Å; V59-P329 HydrophobicContact CG2-CG 4.03Å
60	R	96.2	Very high	95.9	Very high	103 Å²	103	61.9 Å²	61.9	39%	0.389	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	137.6	176	-59.7	-58.6	-170.2	102.3	9.5	110.6	E54 A322	E54-R60 PolarHBondContact O-NH2 3.42Å; R60-A322 CarbonylContact C-O 3.54Å; R60-A322 VanDerWaalsContact CA-O 3.27Å; R60-A322 WeakPolarHBondContact CA-O 3.41Å
61	D	95.9	Very high	95.9	Very high	6 Å²	6	66.3 Å²	66.3	3%	0.032	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	113.6	170.9	-170.1	-3.2	0	0	0	109.1	A63 F190 P191 T192 F193 N321 A322	D61-A63 PolarHBondContact OD1-N 3.39Å; D61-F190 HydrophobicContact CB-CD1 4.31Å; D61-P191 WeakPolarHBondContact OD2-CD 3.33Å; D61-T192 VanDerWaalsContact CG-OG1 3.28Å; D61-T192 WeakPolarHBondContact OD2-CB 3.3Å; D61-T192 PolarHBondContact OD2-N 3.1Å; D61-T192 PolarHBondContact OD2-OG1 3.44Å; D61-F193 HydrophobicContact CB-CD2 4.01Å; D61-F193 HydrophobicContact CB-CE2 3.44Å; D61-F193 VanDerWaalsContact CB-CE2 3.44Å; D61-F193 HydrophobicContact CB-CZ 4.13Å; D61-N321 WeakPolarHBondContact O-CA 3.4Å; D61-A322 PolarHBondContact N-O 3.1Å; D61-A322 PolarHBondContact O-N 3.06Å
62	T	94.8	Very high	96	Very high	102 Å²	102	64.7 Å²	64.7	63%	0.626	33%	0.333	S	S	*	.			trans	-103.5	-8.2	175.5	55.9	0	0	0	0	112.3	I64	T62-I64 PolarHBondContact O-N 3.02Å
63	A	94.2	Very high	96	Very high	65 Å²	65	65.6 Å²	65.6	54%	0.537	33%	0.333	S	S	.	.			trans	-85.4	61.2	-179.2	0	0	0	0	0	110.1	D61 E65 P191	D61-A63 PolarHBondContact OD1-N 3.39Å; A63-E65 PolarHBondContact O-N 3.2Å; A63-P191 WeakPolarHBondContact O-CD 3.49Å
64	I	94.9	Very high	96.1	Very high	34 Å²	34	58.1 Å²	58.1	17%	0.174	31%	0.31	C	S	.	.			trans	-66.2	125.4	179.5	-172	168.8	0	0	0	111	T62 I188 F190 W254	T62-I64 PolarHBondContact O-N 3.02Å; I64-I188 HydrophobicContact CD1-CB 3.8Å; I64-I188 HydrophobicContact CD1-CD1 4.18Å; I64-I188 HydrophobicContact CD1-CG2 3.67Å; I64-I188 HydrophobicContact CG1-CB 4.12Å; I64-I188 HydrophobicContact CG1-CG2 4.24Å; I64-F190 HydrophobicContact CB-CD1 4.26Å; I64-F190 HydrophobicContact CB-CE1 3.87Å; I64-F190 HydrophobicContact CD1-CE1 3.89Å; I64-F190 HydrophobicContact CD1-CE2 4.42Å; I64-F190 HydrophobicContact CD1-CZ 3.72Å; I64-F190 HydrophobicContact CG1-CD1 4.38Å; I64-F190 HydrophobicContact CG1-CE1 3.98Å; I64-F190 HydrophobicContact CG1-CZ 4.24Å; I64-W254 HydrophobicContact CD1-CB 4.33Å
65	E	96.4	Very high	96.1	Very high	93 Å²	93	60.9 Å²	60.9	44%	0.435	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	123.3	165.6	-65.7	175.7	169.6	0	0	107.5	A63 I188 R189 P191	A63-E65 PolarHBondContact O-N 3.2Å; E65-I188 CarbonylContact O-C 3.59Å; E65-I188 VanDerWaalsContact O-CA 3.29Å; E65-I188 WeakPolarHBondContact O-CA 3.39Å; E65-R189 HydrophobicContact CB-CB 4.15Å; E65-R189 PolarHBondContact N-O 2.85Å; E65-R189 PolarHBondContact O-N 3.08Å; E65-R189 IonicContact OE1-NH1 2.66Å; E65-R189 WeakPolarHBondContact OE2-CD 3.45Å; E65-R189 IonicContact OE2-CZ 2.82Å; E65-R189 IonicContact OE2-NE 2.71Å; E65-R189 IonicContact OE2-NH1 2.67Å; E65-R189 PolarHBondContact OE2-NH1 2.95Å; E65-P191 HydrophobicContact CG-CG 4.45Å
66	S	96.3	Very high	96.1	Very high	55 Å²	55	58.6 Å²	58.6	39%	0.385	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	137.2	-178.2	-178.6	0	0	0	0	111.4	N186 S187 V318	S66-N186 PolarHBondContact OG-ND2 3.01Å; S66-S187 WeakPolarHBondContact CA-O 3.5Å; S66-V318 WeakPolarHBondContact OG-CB 3.03Å; S66-V318 WeakPolarHBondContact OG-CG1 3.26Å; S66-V318 WeakPolarHBondContact OG-CG2 3.31Å
67	S	96	Very high	96	Very high	79 Å²	79	61.7 Å²	61.7	55%	0.552	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.2	129.3	170.8	-175.5	0	0	0	0	109.1	N186 S187	S67-N186 WeakPolarHBondContact O-CA 3.38Å; S67-N186 PolarHBondContact O-ND2 3.33Å; S67-S187 PolarHBondContact N-O 2.94Å; S67-S187 PolarHBondContact O-N 2.94Å
68	V	97.2	Very high	95.8	Very high	25 Å²	25	59.5 Å²	59.5	15%	0.152	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	128.6	-180	178.5	0	0	0	0	109.3	T70 I184 K185 V316 V318	V68-T70 HydrophobicContact CG1-CG2 4.02Å; V68-I184 HydrophobicContact CG1-CG2 4.33Å; V68-K185 WeakPolarHBondContact CA-O 3.27Å; V68-V316 HydrophobicContact CG1-CB 3.95Å; V68-V316 HydrophobicContact CG1-CG1 3.8Å; V68-V316 HydrophobicContact CG1-CG2 4.33Å; V68-V316 HydrophobicContact CG2-CG1 4.16Å; V68-V318 HydrophobicContact CG2-CG2 3.57Å
69	M	95.9	Very high	95.3	Very high	94 Å²	94	63.7 Å²	63.7	46%	0.463	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	131.5	171	-178.7	-168.3	-174.2	0	0	108.8	K185	M69-K185 HydrophobicContact CB-CB 4.38Å; M69-K185 PolarHBondContact N-O 3.44Å; M69-K185 PolarHBondContact O-N 2.92Å
70	T	97.3	Very high	94.9	Very high	10 Å²	10	69 Å²	69	6%	0.061	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	147.8	-179.9	51.8	0	0	0	0	111.1	V68 G95 F98 F183 I184 V316	V68-T70 HydrophobicContact CG1-CG2 4.02Å; T70-G95 WeakPolarHBondContact CG2-O 3.14Å; T70-G95 PolarHBondContact OG1-N 3.21Å; T70-G95 VanDerWaalsContact OG1-N 3.12Å; T70-G95 PolarHBondContact OG1-O 2.71Å; T70-F98 HydrophobicContact CG2-CD1 4.06Å; T70-F98 HydrophobicContact CG2-CE1 3.67Å; T70-F98 WeakPolarHBondContact OG1-CD1 3.34Å; T70-F183 CarbonylContact C-O 3.52Å; T70-F183 VanDerWaalsContact CA-O 3.27Å; T70-F183 WeakPolarHBondContact CA-O 3.11Å; T70-I184 HydrophobicContact CG2-CG1 4.33Å; T70-V316 HydrophobicContact CG2-CG2 4.02Å
71	K	96.7	Very high	94.7	Very high	112 Å²	112	71.4 Å²	71.4	49%	0.487	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	120.9	173.3	-178.1	175.5	-66.7	-178	0	109.6	F183	K71-F183 HydrophobicContact CB-CB 4.3Å; K71-F183 HydrophobicContact CB-CD1 4.32Å; K71-F183 PolarHBondContact N-O 2.89Å; K71-F183 WeakPolarHBondContact O-CB 3.44Å; K71-F183 PolarHBondContact O-N 3.45Å
72	V	97	Very high	94.7	Very high	6 Å²	6	76.4 Å²	76.4	4%	0.036	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	147	175.9	-171.3	0	0	0	0	109.5	V85 Y88 V89 F98 I100 F180 T181 I182	V72-V85 VanDerWaalsContact O-CG2 3.24Å; V72-V85 WeakPolarHBondContact O-CG2 3.35Å; V72-Y88 HydrophobicContact CG1-CE2 3.99Å; V72-V89 HydrophobicContact CB-CG2 3.84Å; V72-V89 HydrophobicContact CG1-CG2 4.25Å; V72-V89 HydrophobicContact CG2-CG1 4.38Å; V72-V89 HydrophobicContact CG2-CG2 3.95Å; V72-F98 HydrophobicContact CG2-CD2 3.83Å; V72-F98 HydrophobicContact CG2-CE2 3.63Å; V72-I100 HydrophobicContact CG1-CD1 3.82Å; V72-I100 HydrophobicContact CG1-CG1 4.43Å; V72-I100 HydrophobicContact CG2-CD1 4.17Å; V72-I100 HydrophobicContact CG2-CG1 4.36Å; V72-F180 HydrophobicContact CG1-CB 4.49Å; V72-T181 CarbonylContact C-O 3.58Å; V72-T181 WeakPolarHBondContact CA-O 3.12Å; V72-I182 HydrophobicContact CG2-CG1 4.35Å
73	K	96.1	Very high	94.7	Very high	135 Å²	135	72.5 Å²	72.5	59%	0.587	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.6	138.5	170.2	-68.2	-174.9	176.5	-177.5	0	110.5	T181	K73-T181 PolarHBondContact N-O 2.86Å; K73-T181 PolarHBondContact O-N 3.09Å; K73-T181 PolarHBondContact O-OG1 2.98Å
74	G	96.1	Very high	94.8	Very high	18 Å²	18	72.6 Å²	72.6	19%	0.186	37%	0.372	C	S	.	.			trans	166.5	161.5	-179.9	0	0	0	0	0	110.3	Y88	G74-Y88 WeakPolarHBondContact CA-OH 3.5Å; G74-Y88 PolarHBondContact N-OH 3.07Å; G74-Y88 PolarHBondContact O-OH 3.01Å
75	F	96.8	Very high	94.9	Very high	153 Å²	153	73.4 Å²	73.4	67%	0.671	38%	0.379	S	S	*	.			trans	-131.2	134.7	166.4	-63.2	-77.7	0	0	0	106.5	V82 M83 D84 F180	F75-V82 HydrophobicContact CB-CG1 4.49Å; F75-V82 HydrophobicContact CD1-CG1 4.39Å; F75-M83 WeakPolarHBondContact CA-O 3.18Å; F75-D84 HydrophobicContact CD1-CB 4Å; F75-D84 HydrophobicContact CE1-CB 3.91Å; F75-F180 WeakPolarHBondContact O-CE1 3.2Å
76	G	94.6	Very high	94.8	Very high	4 Å²	4	72.4 Å²	72.4	4%	0.041	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	157	175.7	0	0	0	0	0	111.1	V82 M83 D176	G76-V82 WeakPolarHBondContact O-CA 3.36Å; G76-M83 PolarHBondContact N-O 3.19Å; G76-M83 VanDerWaalsContact N-O 3.13Å; G76-M83 PolarHBondContact O-N 3.4Å; G76-D176 WeakPolarHBondContact CA-OD2 3.49Å
77	N	93.1	Very high	94.7	Very high	88 Å²	88	72.7 Å²	72.7	47%	0.471	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	123.5	172.6	-172.6	14.3	0	0	0	109.5	N80 R81 D176	N77-N80 WeakPolarHBondContact OD1-CA 3.42Å; N77-R81 PolarHBondContact OD1-N 2.82Å; N77-R81 PolarHBondContact OD1-O 3.19Å; N77-D176 PolarHBondContact N-OD2 3.29Å
78	Y	92.1	Very high	94.7	Very high	12 Å²	12	69 Å²	69	5%	0.047	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	119.7	178.2	-168.1	-97.3	0	0	0	109.9	N80 R81 M104 T171 E172 M174	Y78-N80 VanDerWaalsContact C-N 3.33Å; Y78-N80 PolarHBondContact O-N 3.26Å; Y78-R81 PolarHBondContact N-O 3.36Å; Y78-R81 PolarHBondContact O-N 3.4Å; Y78-M104 HydrophobicContact CD1-CE 3.69Å; Y78-M104 HydrophobicContact CE1-CB 4.07Å; Y78-M104 HydrophobicContact CE1-CE 3.86Å; Y78-M104 HydrophobicContact CG-CE 4.33Å; Y78-M104 PolarHBondContact OH-N 3.16Å; Y78-M104 PolarHBondContact OH-O 3.11Å; Y78-T171 WeakPolarHBondContact OH-CB 3.47Å; Y78-T171 PolarHBondContact OH-OG1 2.84Å; Y78-E172 WeakPolarHBondContact CE2-O 3.48Å; Y78-M174 HydrophobicContact CD2-CB 3.88Å
79	N	87.2	Confident	94.7	Very high	99 Å²	99	68.5 Å²	68.5	53%	0.529	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.3	48.9	-177.4	-67.7	-15.1	0	0	0	113.5	R81	N79-R81 PolarHBondContact O-N 3.43Å
80	N	88.1	Confident	94.6	Very high	155 Å²	155	66.4 Å²	66.4	83%	0.829	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.2	21.8	-177	-64.5	-16.3	0	0	0	115	N77 Y78	N77-N80 WeakPolarHBondContact OD1-CA 3.42Å; Y78-N80 VanDerWaalsContact C-N 3.33Å; Y78-N80 PolarHBondContact O-N 3.26Å
81	R	91.4	Very high	94.5	Very high	155 Å²	155	69 Å²	69	59%	0.585	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.4	134.7	172.8	-61.6	-178.6	-176.8	168	4.3	109.1	N77 Y78 N79 E108	N77-R81 PolarHBondContact OD1-N 2.82Å; N77-R81 PolarHBondContact OD1-O 3.19Å; Y78-R81 PolarHBondContact N-O 3.36Å; Y78-R81 PolarHBondContact O-N 3.4Å; N79-R81 PolarHBondContact O-N 3.43Å; R81-E108 IonicContact NH1-OE1 3.96Å; R81-E108 IonicContact NH2-OE1 3.79Å
82	V	95.9	Very high	94	Very high	111 Å²	111	68.8 Å²	68.8	67%	0.673	37%	0.373	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.2	128.2	170.9	-179.7	0	0	0	0	108	F75 G76	F75-V82 HydrophobicContact CB-CG1 4.49Å; F75-V82 HydrophobicContact CD1-CG1 4.39Å; G76-V82 WeakPolarHBondContact O-CA 3.36Å
83	M	95.8	Very high	93.5	Very high	20 Å²	20	77.1 Å²	77.1	10%	0.099	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	130	-178.6	-59.7	-66.5	-68.3	0	0	108.8	F75 G76 D87 Y88 M104 M174	F75-M83 WeakPolarHBondContact CA-O 3.18Å; G76-M83 PolarHBondContact N-O 3.19Å; G76-M83 VanDerWaalsContact N-O 3.13Å; G76-M83 PolarHBondContact O-N 3.4Å; M83-D87 HydrophobicContact CE-CB 3.41Å; M83-D87 VanDerWaalsContact CE-CB 3.41Å; M83-D87 HydrophobicContact SD-CB 4.29Å; M83-Y88 HydrophobicContact CB-CD1 4.14Å; M83-M104 HydrophobicContact CE-CE 3.41Å; M83-M104 VanDerWaalsContact CE-CE 3.41Å; M83-M104 HydrophobicContact CE-SD 4.48Å; M83-M104 HydrophobicContact SD-CE 4.45Å; M83-M174 HydrophobicContact CB-SD 3.99Å; M83-M174 HydrophobicContact CG-SD 4.12Å
84	D	96.5	Very high	92.5	Very high	66 Å²	66	72.2 Å²	72.2	35%	0.353	40%	0.399	S	S	.	.			trans	-112.3	-178.9	176	85.5	1.9	0	0	0	112.5	F75 A86 D87 Y88	F75-D84 HydrophobicContact CD1-CB 4Å; F75-D84 HydrophobicContact CE1-CB 3.91Å; D84-A86 PolarHBondContact O-N 3.42Å; D84-A86 VanDerWaalsContact O-N 3.15Å; D84-A86 WeakPolarHBondContact OD1-CA 3.42Å; D84-A86 WeakPolarHBondContact OD1-CB 3.46Å; D84-A86 PolarHBondContact OD1-N 3.22Å; D84-D87 PolarHBondContact N-OD2 3.09Å; D84-D87 WeakPolarHBondContact O-CB 3.48Å; D84-D87 PolarHBondContact O-N 3.47Å; D84-D87 PolarHBondContact OD1-N 3.18Å; D84-Y88 VanDerWaalsContact C-CD1 3.45Å; D84-Y88 WeakPolarHBondContact O-CD1 3.47Å; D84-Y88 WeakPolarHBondContact O-CE1 3.21Å; D84-Y88 PolarHBondContact O-N 3.21Å
85	V	95.9	Very high	92.3	Very high	51 Å²	51	72.3 Å²	72.3	31%	0.309	40%	0.4	S	S	.	.	H	α-helix	trans	-54.9	-34	-177.2	179.7	0	0	0	0	112.5	V72 D87 Y88 V89	V72-V85 VanDerWaalsContact O-CG2 3.24Å; V72-V85 WeakPolarHBondContact O-CG2 3.35Å; V85-D87 VanDerWaalsContact C-N 3.28Å; V85-D87 PolarHBondContact O-N 3Å; V85-Y88 WeakPolarHBondContact CG2-OH 3.33Å; V85-V89 HydrophobicContact CG1-CB 4.29Å; V85-V89 HydrophobicContact CG1-CG2 3.84Å; V85-V89 VanDerWaalsContact O-CB 3.27Å; V85-V89 WeakPolarHBondContact O-CB 3.04Å; V85-V89 WeakPolarHBondContact O-CG2 3.24Å; V85-V89 PolarHBondContact O-N 2.83Å; V85-V89 VanDerWaalsContact O-N 3.16Å
86	A	94.8	Very high	92.2	Very high	73 Å²	73	67.8 Å²	67.8	60%	0.603	39%	0.387	S	S	*	.	H	α-helix	trans	-74.4	-21.8	-179.6	0	0	0	0	0	112.5	D84	D84-A86 PolarHBondContact O-N 3.42Å; D84-A86 VanDerWaalsContact O-N 3.15Å; D84-A86 WeakPolarHBondContact OD1-CA 3.42Å; D84-A86 WeakPolarHBondContact OD1-CB 3.46Å; D84-A86 PolarHBondContact OD1-N 3.22Å
87	D	95.1	Very high	92.4	Very high	61 Å²	61	69.9 Å²	69.9	33%	0.326	40%	0.399	S	S	.	.	H	α-helix	trans	-86.3	-43.3	178.7	-63.7	-55	0	0	0	113.1	M83 D84 V85	M83-D87 HydrophobicContact CE-CB 3.41Å; M83-D87 VanDerWaalsContact CE-CB 3.41Å; M83-D87 HydrophobicContact SD-CB 4.29Å; D84-D87 PolarHBondContact N-OD2 3.09Å; D84-D87 WeakPolarHBondContact O-CB 3.48Å; D84-D87 PolarHBondContact O-N 3.47Å; D84-D87 PolarHBondContact OD1-N 3.18Å; V85-D87 VanDerWaalsContact C-N 3.28Å; V85-D87 PolarHBondContact O-N 3Å
88	Y	95.4	Very high	92.5	Very high	1 Å²	1	65.8 Å²	65.8	0%	0.004	38%	0.377	C	S	.	.	H	α-helix	trans	-103.5	-11.5	-169.9	64.3	-112.6	0	0	0	114.7	V72 G74 M83 D84 V85 I100 I101 M174 F180	V72-Y88 HydrophobicContact CG1-CE2 3.99Å; G74-Y88 WeakPolarHBondContact CA-OH 3.5Å; G74-Y88 PolarHBondContact N-OH 3.07Å; G74-Y88 PolarHBondContact O-OH 3.01Å; M83-Y88 HydrophobicContact CB-CD1 4.14Å; D84-Y88 VanDerWaalsContact C-CD1 3.45Å; D84-Y88 WeakPolarHBondContact O-CD1 3.47Å; D84-Y88 WeakPolarHBondContact O-CE1 3.21Å; D84-Y88 PolarHBondContact O-N 3.21Å; V85-Y88 WeakPolarHBondContact CG2-OH 3.33Å; Y88-I100 HydrophobicContact CD2-CG2 3.84Å; Y88-I100 HydrophobicContact CE2-CG2 4.29Å; Y88-I101 WeakPolarHBondContact O-CG1 3.44Å; Y88-I101 PolarHBondContact O-N 3.08Å; Y88-M174 HydrophobicContact CD1-CE 3.97Å; Y88-M174 HydrophobicContact CG-CE 4.2Å; Y88-F180 AromaticContact CD1-CE2 3.92Å; Y88-F180 HydrophobicContact CD1-CE2 3.92Å; Y88-F180 HydrophobicContact CD1-CZ 4.35Å; Y88-F180 HydrophobicContact CD2-CD2 4.41Å; Y88-F180 AromaticContact CD2-CE2 3.98Å; Y88-F180 HydrophobicContact CD2-CE2 3.98Å; Y88-F180 HydrophobicContact CE1-CD2 4.33Å; Y88-F180 AromaticContact CE1-CE2 3.43Å; Y88-F180 HydrophobicContact CE1-CE2 3.43Å; Y88-F180 VanDerWaalsContact CE1-CE2 3.43Å; Y88-F180 AromaticContact CE1-CZ 3.76Å; Y88-F180 HydrophobicContact CE1-CZ 3.76Å; Y88-F180 AromaticContact CE2-CD2 3.7Å; Y88-F180 HydrophobicContact CE2-CD2 3.7Å; Y88-F180 AromaticContact CE2-CE2 3.5Å; Y88-F180 HydrophobicContact CE2-CE2 3.5Å; Y88-F180 HydrophobicContact CG-CE2 4.19Å; Y88-F180 AromaticContact CZ-CD2 3.67Å; Y88-F180 AromaticContact CZ-CE2 3.22Å; Y88-F180 AromaticContact CZ-CZ 3.9Å
89	V	97	Very high	92.7	Very high	15 Å²	15	65.5 Å²	65.5	9%	0.091	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	128	178.2	-175.5	0	0	0	0	111.6	V72 V85 F98 C99	V72-V89 HydrophobicContact CB-CG2 3.84Å; V72-V89 HydrophobicContact CG1-CG2 4.25Å; V72-V89 HydrophobicContact CG2-CG1 4.38Å; V72-V89 HydrophobicContact CG2-CG2 3.95Å; V85-V89 HydrophobicContact CG1-CB 4.29Å; V85-V89 HydrophobicContact CG1-CG2 3.84Å; V85-V89 VanDerWaalsContact O-CB 3.27Å; V85-V89 WeakPolarHBondContact O-CB 3.04Å; V85-V89 WeakPolarHBondContact O-CG2 3.24Å; V85-V89 PolarHBondContact O-N 2.83Å; V85-V89 VanDerWaalsContact O-N 3.16Å; V89-F98 HydrophobicContact CG1-CB 4.43Å; V89-C99 VanDerWaalsContact CA-O 3.31Å; V89-C99 WeakPolarHBondContact CA-O 3.3Å
90	T	94.7	Very high	93.2	Very high	50 Å²	50	60.8 Å²	60.8	31%	0.307	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	137.6	174.4	-175.3	0	0	0	0	112.9	C99 I101 F289	T90-C99 HydrophobicContact CG2-CB 4.02Å; T90-C99 PolarHBondContact N-O 2.59Å; T90-C99 WeakPolarHBondContact O-CB 3.3Å; T90-C99 PolarHBondContact O-N 2.65Å; T90-I101 HydrophobicContact CG2-CD1 4.4Å; T90-F289 HydrophobicContact CG2-CE1 4.25Å; T90-F289 HydrophobicContact CG2-CE2 3.98Å; T90-F289 HydrophobicContact CG2-CZ 3.41Å; T90-F289 VanDerWaalsContact CG2-CZ 3.41Å
91	P	93.9	Very high	93.7	Very high	63 Å²	63	53.7 Å²	53.7	41%	0.409	31%	0.313	S	S	.	.	S	Bend	cis	-69.8	156.5	-9.4	30.7	-35.4	0	0	0	112.2	Q93	P91-Q93 VanDerWaalsContact C-N 3.33Å; P91-Q93 PolarHBondContact O-N 3.03Å
92	T	87.3	Confident	93.9	Very high	109 Å²	109	46.4 Å²	46.4	67%	0.669	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-13.3	-174	53.9	0	0	0	0	114.7	G94	T92-G94 PolarHBondContact O-N 3.37Å
93	Q	85.8	Confident	93.8	Very high	180 Å²	180	41.9 Å²	41.9	84%	0.841	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-25.8	-173.4	-68.3	167	-9.1	0	0	113	P91	P91-Q93 VanDerWaalsContact C-N 3.33Å; P91-Q93 PolarHBondContact O-N 3.03Å
94	G	75.4	Confident	93.7	Very high	32 Å²	32	41.9 Å²	41.9	33%	0.33	26%	0.257	S	S	.	.			trans	71.3	126.2	-172.9	0	0	0	0	0	111	T92	T92-G94 PolarHBondContact O-N 3.37Å
95	G	91.9	Very high	93.5	Very high	20 Å²	20	39.1 Å²	39.1	21%	0.206	24%	0.243	C	C	.	.	S	Bend	trans	-169.6	-157.7	-176.7	0	0	0	0	0	110.9	T70 V97	T70-G95 WeakPolarHBondContact CG2-O 3.14Å; T70-G95 PolarHBondContact OG1-N 3.21Å; T70-G95 VanDerWaalsContact OG1-N 3.12Å; T70-G95 PolarHBondContact OG1-O 2.71Å; G95-V97 VanDerWaalsContact C-N 3.28Å
96	S	95.4	Very high	93.4	Very high	58 Å²	58	39.7 Å²	39.7	41%	0.406	25%	0.247	S	C	.	.	S	Bend	trans	-71.5	-23.4	174.1	53	0	0	0	0	113	D315 V316	S96-D315 CarbonylContact O-C 3.59Å; S96-V316 WeakPolarHBondContact CB-O 3.37Å; S96-V316 PolarHBondContact O-N 2.83Å
97	V	97.1	Very high	93.3	Very high	48 Å²	48	37.1 Å²	37.1	29%	0.291	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	126.5	-178.2	179	0	0	0	0	110.3	G95 R313 F314	G95-V97 VanDerWaalsContact C-N 3.28Å; V97-R313 HydrophobicContact CG1-CG 4.18Å; V97-R313 VanDerWaalsContact CG1-NE 3.29Å; V97-F314 WeakPolarHBondContact CA-O 3.18Å
98	F	96.6	Very high	93.3	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.009	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	156.6	173.9	63	-81	0	0	0	110.2	T70 V72 V89 I100 I182 F314 V316	T70-F98 HydrophobicContact CG2-CD1 4.06Å; T70-F98 HydrophobicContact CG2-CE1 3.67Å; T70-F98 WeakPolarHBondContact OG1-CD1 3.34Å; V72-F98 HydrophobicContact CG2-CD2 3.83Å; V72-F98 HydrophobicContact CG2-CE2 3.63Å; V89-F98 HydrophobicContact CG1-CB 4.43Å; F98-I100 HydrophobicContact CD2-CG1 4.34Å; F98-I100 HydrophobicContact CE2-CD1 4.28Å; F98-I100 HydrophobicContact CE2-CG1 4.24Å; F98-I182 HydrophobicContact CE1-CG2 4.34Å; F98-I182 HydrophobicContact CE2-CD1 4.06Å; F98-I182 HydrophobicContact CE2-CG1 4.24Å; F98-I182 HydrophobicContact CE2-CG2 4.28Å; F98-I182 HydrophobicContact CZ-CD1 3.92Å; F98-I182 HydrophobicContact CZ-CG1 4.21Å; F98-I182 HydrophobicContact CZ-CG2 3.57Å; F98-F314 HydrophobicContact CD1-CB 4.34Å; F98-F314 HydrophobicContact CD2-CB 4.43Å; F98-F314 HydrophobicContact CD2-CD2 4.37Å; F98-F314 HydrophobicContact CE1-CB 3.75Å; F98-F314 HydrophobicContact CE2-CB 3.87Å; F98-F314 AromaticContact CE2-CD2 3.73Å; F98-F314 HydrophobicContact CE2-CD2 3.73Å; F98-F314 HydrophobicContact CE2-CG 4.04Å; F98-F314 HydrophobicContact CZ-CB 3.49Å; F98-F314 VanDerWaalsContact CZ-CB 3.49Å; F98-F314 HydrophobicContact CZ-CD2 4.11Å; F98-F314 AromaticContact CZ-CG 3.93Å; F98-F314 HydrophobicContact CZ-CG 3.93Å; F98-F314 PolarHBondContact N-O 3.39Å; F98-F314 VanDerWaalsContact N-O 3.14Å; F98-F314 PolarHBondContact O-N 3.16Å; F98-V316 HydrophobicContact CE1-CG2 4.34Å
99	C	96.6	Very high	93.2	Very high	7 Å²	7	42.7 Å²	42.7	5%	0.047	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	141.4	178.9	-53	0	0	0	0	109.6	V89 T90 A311 I312	V89-C99 VanDerWaalsContact CA-O 3.31Å; V89-C99 WeakPolarHBondContact CA-O 3.3Å; T90-C99 HydrophobicContact CG2-CB 4.02Å; T90-C99 PolarHBondContact N-O 2.59Å; T90-C99 WeakPolarHBondContact O-CB 3.3Å; T90-C99 PolarHBondContact O-N 2.65Å; C99-A311 HydrophobicContact CB-CB 3.97Å; C99-I312 CarbonylContact C-O 3.55Å; C99-I312 WeakPolarHBondContact CA-O 3.2Å
100	I	97.5	Very high	93.2	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	113.9	167.1	-57.7	179.4	0	0	0	107	V72 Y88 F98 T102 V177 F180 I182 V227 A311 I312 F314	V72-I100 HydrophobicContact CG1-CD1 3.82Å; V72-I100 HydrophobicContact CG1-CG1 4.43Å; V72-I100 HydrophobicContact CG2-CD1 4.17Å; V72-I100 HydrophobicContact CG2-CG1 4.36Å; Y88-I100 HydrophobicContact CD2-CG2 3.84Å; Y88-I100 HydrophobicContact CE2-CG2 4.29Å; F98-I100 HydrophobicContact CD2-CG1 4.34Å; F98-I100 HydrophobicContact CE2-CD1 4.28Å; F98-I100 HydrophobicContact CE2-CG1 4.24Å; I100-T102 PolarHBondContact O-N 3.15Å; I100-V177 HydrophobicContact CG2-CG1 3.64Å; I100-V177 HydrophobicContact CG2-CG2 4.15Å; I100-F180 HydrophobicContact CG2-CD2 4.21Å; I100-F180 HydrophobicContact CG2-CE2 4.47Å; I100-I182 HydrophobicContact CD1-CD1 4.24Å; I100-I182 HydrophobicContact CD1-CG1 4.34Å; I100-V227 HydrophobicContact CD1-CG2 3.97Å; I100-A311 VanDerWaalsContact O-CA 3.31Å; I100-A311 WeakPolarHBondContact O-CA 3.42Å; I100-A311 WeakPolarHBondContact O-CB 3.41Å; I100-I312 PolarHBondContact N-O 2.97Å; I100-I312 PolarHBondContact O-N 3.08Å; I100-F314 HydrophobicContact CB-CE2 4.4Å; I100-F314 HydrophobicContact CD1-CD2 4.26Å; I100-F314 HydrophobicContact CD1-CE2 3.77Å; I100-F314 HydrophobicContact CG1-CD2 4.29Å; I100-F314 HydrophobicContact CG1-CE2 4.05Å
101	I	96.8	Very high	93.2	Very high	5 Å²	5	41.9 Å²	41.9	3%	0.026	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	123.3	178	-60.7	171.7	0	0	0	108.5	Y88 T90 M104 F289 F291 A309 A311	Y88-I101 WeakPolarHBondContact O-CG1 3.44Å; Y88-I101 PolarHBondContact O-N 3.08Å; T90-I101 HydrophobicContact CG2-CD1 4.4Å; I101-M104 HydrophobicContact CG2-CG 3.39Å; I101-M104 HydrophobicContact CG2-SD 3.92Å; I101-F289 HydrophobicContact CD1-CZ 4.23Å; I101-F289 HydrophobicContact CG1-CZ 4.23Å; I101-F291 HydrophobicContact CD1-CE1 4.17Å; I101-F291 HydrophobicContact CD1-CZ 4.47Å; I101-A309 HydrophobicContact CD1-CB 3.88Å; I101-A309 HydrophobicContact CG1-CB 4Å; I101-A309 HydrophobicContact CG2-CB 3.88Å; I101-A311 HydrophobicContact CG1-CB 4.25Å
102	T	95.9	Very high	93.3	Very high	2 Å²	2	44.1 Å²	44.1	1%	0.012	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	-30.3	-179.8	49.1	0	0	0	0	111.7	I100 P173 M174 V177 A242 F310 I312	I100-T102 PolarHBondContact O-N 3.15Å; T102-P173 CarbonylContact O-C 3.52Å; T102-P173 WeakPolarHBondContact O-CA 3.3Å; T102-M174 PolarHBondContact O-N 2.92Å; T102-V177 HydrophobicContact CG2-CB 4.31Å; T102-V177 HydrophobicContact CG2-CG1 3.99Å; T102-V177 HydrophobicContact CG2-CG2 4.2Å; T102-A242 WeakPolarHBondContact CB-O 3.47Å; T102-A242 HydrophobicContact CG2-CB 4.13Å; T102-A242 WeakPolarHBondContact OG1-CA 3.23Å; T102-A242 PolarHBondContact OG1-O 3.17Å; T102-F310 PolarHBondContact N-O 3.36Å; T102-F310 PolarHBondContact OG1-O 3.39Å; T102-I312 HydrophobicContact CG2-CD1 3.86Å; T102-I312 HydrophobicContact CG2-CG1 3.93Å
103	K	94.6	Very high	93.6	Very high	17 Å²	17	39.9 Å²	39.9	7%	0.074	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	144	-178	172.5	-175.7	173.8	179.7	0	110.1	T171 P173 D243 F310	K103-T171 WeakPolarHBondContact CE-O 3.4Å; K103-T171 WeakPolarHBondContact CE-OG1 3.2Å; K103-T171 WeakPolarHBondContact CG-OG1 3.34Å; K103-T171 PolarHBondContact NZ-O 3.34Å; K103-P173 HydrophobicContact CB-CB 4.33Å; K103-P173 HydrophobicContact CB-CG 4.48Å; K103-P173 HydrophobicContact CD-CG 4.36Å; K103-D243 IonicContact NZ-OD1 2.62Å; K103-D243 PolarHBondContact NZ-OD1 2.8Å; K103-F310 HydrophobicContact CB-CB 4.11Å; K103-F310 HydrophobicContact CB-CD2 4.33Å; K103-F310 HydrophobicContact CD-CD2 4.14Å; K103-F310 HydrophobicContact CD-CG 4.49Å; K103-F310 HydrophobicContact CG-CD2 4.03Å; K103-F310 PolarHBondContact N-O 3.01Å; K103-F310 PolarHBondContact O-N 3.14Å
104	M	93.8	Very high	94.1	Very high	19 Å²	19	37.8 Å²	37.8	9%	0.094	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	142.6	179.9	-63.9	179.6	-74.2	0	0	111.8	Y78 M83 I101 T106 T171 V307 K308 A309	Y78-M104 HydrophobicContact CD1-CE 3.69Å; Y78-M104 HydrophobicContact CE1-CB 4.07Å; Y78-M104 HydrophobicContact CE1-CE 3.86Å; Y78-M104 HydrophobicContact CG-CE 4.33Å; Y78-M104 PolarHBondContact OH-N 3.16Å; Y78-M104 PolarHBondContact OH-O 3.11Å; M83-M104 HydrophobicContact CE-CE 3.41Å; M83-M104 VanDerWaalsContact CE-CE 3.41Å; M83-M104 HydrophobicContact CE-SD 4.48Å; M83-M104 HydrophobicContact SD-CE 4.45Å; I101-M104 HydrophobicContact CG2-CG 3.39Å; I101-M104 HydrophobicContact CG2-SD 3.92Å; M104-T106 HydrophobicContact CB-CG2 4.46Å; M104-T171 PolarHBondContact O-OG1 2.88Å; M104-T171 VanDerWaalsContact O-OG1 3.1Å; M104-V307 HydrophobicContact CB-CG1 4.05Å; M104-V307 HydrophobicContact CG-CG1 3.96Å; M104-V307 HydrophobicContact SD-CG1 3.85Å; M104-K308 CarbonylContact C-O 3.58Å; M104-K308 VanDerWaalsContact CA-O 3.29Å; M104-K308 WeakPolarHBondContact CA-O 3.4Å; M104-A309 HydrophobicContact CG-CB 4.41Å
105	I	92.9	Very high	95	Very high	9 Å²	9	36.9 Å²	36.9	5%	0.046	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	117.8	164.7	-59.5	173.5	0	0	0	106.5	D167 T171 K308 F310	I105-D167 WeakPolarHBondContact CD1-OD1 3.34Å; I105-T171 HydrophobicContact CG1-CG2 4.47Å; I105-K308 HydrophobicContact CB-CB 4.32Å; I105-K308 PolarHBondContact N-O 3.23Å; I105-K308 PolarHBondContact O-N 2.69Å; I105-F310 HydrophobicContact CD1-CE2 3.93Å; I105-F310 HydrophobicContact CD1-CZ 4.39Å; I105-F310 HydrophobicContact CG1-CE2 4.22Å
106	T	92.3	Very high	95	Very high	63 Å²	63	37.4 Å²	37.4	39%	0.387	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	125.6	-174.7	52.7	0	0	0	0	110.4	M104 L306 V307	M104-T106 HydrophobicContact CB-CG2 4.46Å; T106-L306 WeakPolarHBondContact CA-O 3.12Å; T106-V307 HydrophobicContact CG2-CG1 4.34Å; T106-V307 HydrophobicContact CG2-CG2 4.24Å
107	T	94.1	Very high	94.8	Very high	18 Å²	18	34.8 Å²	34.8	11%	0.11	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	99.7	168.5	-52.9	0	0	0	0	107.9	Q110 P163 T305 L306	T107-Q110 HydrophobicContact CG2-CG 3.85Å; T107-P163 HydrophobicContact CG2-CG 4.35Å; T107-T305 WeakPolarHBondContact O-CA 3.43Å; T107-L306 PolarHBondContact N-O 2.87Å; T107-L306 PolarHBondContact O-N 3.48Å
108	E	93.8	Very high	94.2	Very high	86 Å²	86	33.1 Å²	33.1	40%	0.402	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	158.8	-177.3	-61.7	-170.2	165.6	0	0	111.8	R81 Q110 T305	R81-E108 IonicContact NH1-OE1 3.96Å; R81-E108 IonicContact NH2-OE1 3.79Å; E108-Q110 VanDerWaalsContact C-N 3.29Å; E108-Q110 PolarHBondContact O-N 3.32Å; E108-T305 HydrophobicContact CG-CG2 4.06Å
109	N	94.7	Very high	93.4	Very high	93 Å²	93	35.9 Å²	35.9	50%	0.497	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	55	35.7	169.7	-55.3	-34.3	0	0	0	115.5	V111 R304	N109-V111 PolarHBondContact O-N 2.78Å; N109-R304 PolarHBondContact N-O 3.16Å
110	Q	95.9	Very high	92.6	Very high	3 Å²	3	42.3 Å²	42.3	1%	0.014	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	130.4	172.9	-69.2	-166.9	-35.9	0	0	110.8	T107 E108 W161 C162 P163 Y303 R304	T107-Q110 HydrophobicContact CG2-CG 3.85Å; E108-Q110 VanDerWaalsContact C-N 3.29Å; E108-Q110 PolarHBondContact O-N 3.32Å; Q110-W161 HydrophobicContact CB-CB 4.23Å; Q110-W161 HydrophobicContact CB-CE3 3.95Å; Q110-W161 WeakPolarHBondContact O-CZ3 3.42Å; Q110-C162 CarbonylContact C-O 3.54Å; Q110-C162 VanDerWaalsContact CA-O 3.25Å; Q110-C162 WeakPolarHBondContact CA-O 3.46Å; Q110-P163 PolarHBondContact NE2-O 2.02Å; Q110-Y303 CarbonylContact O-C 3.53Å; Q110-Y303 WeakPolarHBondContact O-CA 3.11Å; Q110-Y303 WeakPolarHBondContact O-CB 3.39Å; Q110-R304 HydrophobicContact CB-CG 3.86Å; Q110-R304 WeakPolarHBondContact CB-O 3.41Å; Q110-R304 PolarHBondContact N-O 2.98Å; Q110-R304 PolarHBondContact O-N 3.36Å; Q110-R304 VanDerWaalsContact OE1-NH2 3.08Å
111	V	95.8	Very high	92.1	Very high	45 Å²	45	43.8 Å²	43.8	27%	0.273	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	156.5	174.2	-67	0	0	0	0	110.3	N109 G113 C162 M297	N109-V111 PolarHBondContact O-N 2.78Å; V111-G113 PolarHBondContact O-N 2.67Å; V111-C162 PolarHBondContact N-O 3.15Å; V111-C162 PolarHBondContact O-N 2.75Å; V111-M297 HydrophobicContact CG1-CE 3.97Å
112	Q	94.9	Very high	91.8	Very high	111 Å²	111	48.8 Å²	48.8	52%	0.519	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	122.3	172.6	-76.8	-66.9	-28.7	0	0	110.3	G160 W161	Q112-G160 WeakPolarHBondContact CA-O 3.36Å; Q112-G160 PolarHBondContact OE1-O 2.96Å; Q112-W161 HydrophobicContact CG-CD2 4.49Å; Q112-W161 HydrophobicContact CG-CE3 4.45Å; Q112-W161 HydrophobicContact CG-CH2 4.37Å; Q112-W161 HydrophobicContact CG-CZ2 4.38Å; Q112-W161 HydrophobicContact CG-CZ3 4.4Å; Q112-W161 VanDerWaalsContact NE2-CD1 3.28Å; Q112-W161 VanDerWaalsContact NE2-CD2 3.29Å
113	G	94.6	Very high	91.6	Very high	20 Å²	20	49 Å²	49	21%	0.206	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.2	-154	-176.4	0	0	0	0	0	113.8	V111 K159 G160	V111-G113 PolarHBondContact O-N 2.67Å; G113-K159 WeakPolarHBondContact O-CA 3.41Å; G113-G160 PolarHBondContact N-O 3.31Å; G113-G160 PolarHBondContact O-N 3.44Å
114	Y	94.9	Very high	91.4	Very high	135 Å²	135	54 Å²	54	53%	0.529	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	130	-178.9	-61.7	-87.9	0	0	0	109.2	T143 I158 K159	Y114-T143 HydrophobicContact CD1-CG2 3.66Å; Y114-T143 HydrophobicContact CE1-CG2 3.77Å; Y114-I158 WeakPolarHBondContact CA-O 3.39Å; Y114-K159 HydrophobicContact CD1-CB 4.03Å; Y114-K159 HydrophobicContact CD1-CG 4.25Å; Y114-K159 HydrophobicContact CE1-CB 3.84Å; Y114-K159 HydrophobicContact CE1-CD 3.79Å; Y114-K159 HydrophobicContact CE1-CG 3.82Å; Y114-K159 PolarHBondContact OH-NZ 2.75Å
115	C	94.1	Very high	91.3	Very high	13 Å²	13	59.7 Å²	59.7	9%	0.088	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	158.1	179	52.5	0	0	0	0	111.6	E157 I158 C162	C115-E157 WeakPolarHBondContact O-CA 3.02Å; C115-I158 PolarHBondContact N-O 3.23Å; C115-I158 VanDerWaalsContact N-O 3.09Å; C115-I158 VanDerWaalsContact O-CG1 3.25Å; C115-I158 WeakPolarHBondContact O-CG1 3.43Å; C115-I158 PolarHBondContact O-N 3.48Å; C115-C162 HydrophobicContact CB-CB 3.6Å; C115-C162 WeakPolarHBondContact CB-SG 3.29Å; C115-C162 PolarHBondContact N-SG 3.01Å; C115-C162 WeakPolarHBondContact SG-CA 3.43Å; C115-C162 WeakPolarHBondContact SG-CB 3.29Å; C115-C162 CovalentContact SG-SG 2.04Å; C115-C162 PolarHBondContact SG-SG 2.89Å
116	P	93.4	Very high	91.3	Very high	32 Å²	32	63.4 Å²	63.4	21%	0.208	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	145.5	166.1	19.3	-29.2	0	0	0	111.6	V147 F149 M155	P116-V147 HydrophobicContact CB-CG2 3.77Å; P116-V147 HydrophobicContact CG-CG2 4.33Å; P116-F149 HydrophobicContact CB-CB 3.95Å; P116-F149 HydrophobicContact CB-CD2 3.98Å; P116-F149 HydrophobicContact CB-CG 4.32Å; P116-F149 HydrophobicContact CG-CB 4.29Å; P116-F149 HydrophobicContact CG-CD2 3.75Å; P116-F149 HydrophobicContact CG-CG 4.47Å; P116-M155 HydrophobicContact CB-CB 3.95Å
117	E	90.5	Very high	91	Very high	2 Å²	2	65 Å²	65	1%	0.009	34%	0.337	C	S	.	.			trans	-70.1	163.1	163.7	-164.1	52.5	-71.8	0	0	111.8	Y121 Y139 F142 M155 C156 I158	E117-Y121 HydrophobicContact CG-CD2 3.56Å; E117-Y121 HydrophobicContact CG-CE2 4.4Å; E117-Y121 HydrophobicContact CG-CG 4.36Å; E117-Y139 WeakPolarHBondContact OE1-CD2 3.35Å; E117-Y139 PolarHBondContact OE2-N 3.12Å; E117-F142 HydrophobicContact CG-CE1 4.44Å; E117-M155 HydrophobicContact CB-CB 4.49Å; E117-M155 WeakPolarHBondContact O-CB 3.5Å; E117-M155 WeakPolarHBondContact O-CG 3.38Å; E117-C156 WeakPolarHBondContact CB-O 3.38Å; E117-C156 PolarHBondContact N-O 3.48Å; E117-I158 HydrophobicContact CB-CG2 4.24Å
118	T	85.5	Confident	90.7	Very high	13 Å²	13	67.6 Å²	67.6	8%	0.08	35%	0.35	C	S	.	.			trans	-108.2	-29.9	-167	52.6	0	0	0	0	117	F149 M155 A164 E165 I166	T118-F149 HydrophobicContact CG2-CE2 4.14Å; T118-F149 HydrophobicContact CG2-CZ 3.98Å; T118-M155 VanDerWaalsContact O-CE 3.29Å; T118-M155 WeakPolarHBondContact O-CE 3.12Å; T118-A164 HydrophobicContact CG2-CB 3.78Å; T118-E165 WeakPolarHBondContact CB-O 3.1Å; T118-E165 WeakPolarHBondContact CG2-O 3.24Å; T118-E165 PolarHBondContact OG1-O 2.79Å; T118-I166 HydrophobicContact CG2-CG1 3.73Å
119	E	78.5	Confident	90.5	Very high	60 Å²	60	63.8 Å²	63.8	28%	0.28	33%	0.333	S	S	.	.	S	Bend	trans	-129.4	-52.5	-165.7	-70.8	-179.4	179.4	0	0	116	D167	E119-D167 VanDerWaalsContact OE1-CA 3.31Å; E119-D167 WeakPolarHBondContact OE1-CA 3.29Å; E119-D167 WeakPolarHBondContact OE1-CB 3.22Å; E119-D167 PolarHBondContact OE1-N 3.43Å
120	K	80.7	Confident	90	Very high	142 Å²	142	62.4 Å²	62.4	62%	0.617	33%	0.328	S	S	*	.	S	Bend	trans	-103.7	-9.2	-160.5	-65.4	177.1	-175.8	170.7	0	114.6
121	Y	86.6	Confident	89.5	Confident	31 Å²	31	68 Å²	68	12%	0.122	35%	0.352	C	S	.	.			trans	-127.6	53.3	-163.6	-56.7	-74.1	0	0	0	111.7	E117 R135 F142 M155 C156	E117-Y121 HydrophobicContact CG-CD2 3.56Å; E117-Y121 HydrophobicContact CG-CE2 4.4Å; E117-Y121 HydrophobicContact CG-CG 4.36Å; Y121-R135 HydrophobicContact CE1-CB 4.49Å; Y121-R135 VanDerWaalsContact CE1-CD 3.41Å; Y121-R135 WeakPolarHBondContact OH-CB 3.08Å; Y121-F142 AromaticContact CD1-CZ 3.91Å; Y121-F142 HydrophobicContact CD1-CZ 3.91Å; Y121-F142 HydrophobicContact CD2-CE1 4.25Å; Y121-F142 AromaticContact CD2-CZ 3.63Å; Y121-F142 HydrophobicContact CD2-CZ 3.63Å; Y121-F142 HydrophobicContact CE1-CE2 4.5Å; Y121-F142 HydrophobicContact CE1-CZ 4.17Å; Y121-F142 AromaticContact CE2-CZ 3.82Å; Y121-F142 HydrophobicContact CE2-CZ 3.82Å; Y121-F142 HydrophobicContact CG-CE1 4.1Å; Y121-F142 AromaticContact CG-CZ 3.62Å; Y121-F142 HydrophobicContact CG-CZ 3.62Å; Y121-M155 WeakPolarHBondContact O-CA 3.37Å; Y121-C156 PolarHBondContact O-N 3.28Å
122	N	90.3	Very high	88.5	Confident	110 Å²	110	75 Å²	75	59%	0.588	38%	0.375	S	S	*	.	B	Isolated β-bridge	trans	-57.9	137.9	168.5	-68.2	-6.7	0	0	0	109.5	S154 M155	N122-S154 WeakPolarHBondContact CA-O 3.46Å; N122-M155 WeakPolarHBondContact OD1-CE 3.36Å; N122-M155 PolarHBondContact OD1-SD 3.08Å
123	C	90.9	Very high	87.4	Confident	8 Å²	8	76 Å²	76	5%	0.054	37%	0.374	C	S	.	.			trans	-134.9	155.8	177	60.6	0	0	0	0	110.1	D128 C146 S154 M155 C156	C123-D128 HydrophobicContact CB-CB 4.01Å; C123-C146 HydrophobicContact CB-CB 3.85Å; C123-C146 WeakPolarHBondContact CB-SG 3.31Å; C123-C146 PolarHBondContact O-SG 3.03Å; C123-C146 VanDerWaalsContact O-SG 3.41Å; C123-C146 WeakPolarHBondContact SG-CA 3.46Å; C123-C146 WeakPolarHBondContact SG-CB 3.05Å; C123-C146 CovalentContact SG-SG 2.02Å; C123-C146 PolarHBondContact SG-SG 2.67Å; C123-S154 PolarHBondContact N-O 3.5Å; C123-S154 WeakPolarHBondContact O-CB 3.35Å; C123-M155 PolarHBondContact SG-O 3.22Å; C123-M155 VanDerWaalsContact SG-O 3.36Å; C123-C156 PolarHBondContact SG-N 2.66Å; C123-C156 VanDerWaalsContact SG-N 3.42Å
124	T	91.3	Very high	86.2	Confident	121 Å²	121	82.3 Å²	82.3	74%	0.742	40%	0.398	S	S	*	.	S	Bend	trans	-114.9	-27.9	170.6	58.7	0	0	0	0	111.4	D128	T124-D128 PolarHBondContact N-OD2 3.33Å; T124-D128 PolarHBondContact OG1-OD2 2.87Å
125	K	92.4	Very high	85.1	Confident	139 Å²	139	80 Å²	80	60%	0.604	39%	0.388	S	S	*	.	S	Bend	trans	-137.3	156.4	179	-60.6	178.4	-175.2	176.5	0	110	S127 D128	K125-S127 PolarHBondContact O-N 3.36Å; K125-S127 VanDerWaalsContact O-N 3.17Å; K125-D128 PolarHBondContact N-OD2 3.48Å; K125-D128 VanDerWaalsContact O-CB 3.29Å; K125-D128 WeakPolarHBondContact O-CB 3.16Å; K125-D128 PolarHBondContact O-N 3.46Å
126	D	91.3	Very high	83.9	Confident	87 Å²	87	85 Å²	85	47%	0.465	42%	0.421	S	S	.	.	G	3₁₀ helix	trans	-57.4	-31.2	177.3	-66.6	-6.9	0	0	0	112.8	D128 C129 G144 C146	D126-D128 PolarHBondContact O-N 2.92Å; D126-C129 WeakPolarHBondContact O-CB 3.5Å; D126-C129 PolarHBondContact O-N 3.21Å; D126-G144 WeakPolarHBondContact CB-O 3.21Å; D126-G144 VanDerWaalsContact O-O 3.09Å; D126-C146 WeakPolarHBondContact OD1-CB 3.43Å; D126-C146 PolarHBondContact OD1-N 3.38Å
127	S	87.7	Confident	82.8	Confident	96 Å²	96	85.9 Å²	85.9	67%	0.671	44%	0.436	S	S	*	.	G	3₁₀ helix	trans	-60.4	-24.9	176.3	54.5	0	0	0	0	114.2	K125 C129	K125-S127 PolarHBondContact O-N 3.36Å; K125-S127 VanDerWaalsContact O-N 3.17Å; S127-C129 PolarHBondContact O-N 2.89Å
128	D	87.9	Confident	82.4	Confident	72 Å²	72	87 Å²	87	39%	0.385	45%	0.447	S	S	.	.	G	3₁₀ helix	trans	-70.7	-22.2	179.2	-54.6	-22.1	0	0	0	110.7	C123 T124 K125 D126	C123-D128 HydrophobicContact CB-CB 4.01Å; T124-D128 PolarHBondContact N-OD2 3.33Å; T124-D128 PolarHBondContact OG1-OD2 2.87Å; K125-D128 PolarHBondContact N-OD2 3.48Å; K125-D128 VanDerWaalsContact O-CB 3.29Å; K125-D128 WeakPolarHBondContact O-CB 3.16Å; K125-D128 PolarHBondContact O-N 3.46Å; D126-D128 PolarHBondContact O-N 2.92Å
129	C	88.3	Confident	82.5	Confident	6 Å²	6	89.4 Å²	89.4	4%	0.041	46%	0.456	C	S	.	.	S	Bend	trans	-99.3	101.2	-176.9	-54.9	0	0	0	0	110.6	D126 S127 K131 G144 C156	D126-C129 WeakPolarHBondContact O-CB 3.5Å; D126-C129 PolarHBondContact O-N 3.21Å; S127-C129 PolarHBondContact O-N 2.89Å; C129-K131 PolarHBondContact O-N 3.23Å; C129-G144 WeakPolarHBondContact O-CA 3.21Å; C129-C156 VanDerWaalsContact CA-SG 3.51Å; C129-C156 HydrophobicContact CB-CB 3.81Å; C129-C156 WeakPolarHBondContact CB-SG 3.24Å; C129-C156 WeakPolarHBondContact SG-CA 3.36Å; C129-C156 WeakPolarHBondContact SG-CB 3.32Å; C129-C156 CovalentContact SG-SG 2.04Å; C129-C156 PolarHBondContact SG-SG 3.4Å
130	T	85.6	Confident	83	Confident	64 Å²	64	87.5 Å²	87.5	39%	0.393	45%	0.452	S	S	.	.			trans	-73.8	118.7	177.8	-40.8	0	0	0	0	111.3	R133 F142	T130-R133 HydrophobicContact CG2-CB 4.26Å; T130-F142 WeakPolarHBondContact O-CB 3.24Å
131	K	84.6	Confident	83.5	Confident	121 Å²	121	84.9 Å²	84.9	53%	0.526	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	141.3	177.7	-62.2	-161.9	178	-170.1	0	112.6	C129 R133 T143	C129-K131 PolarHBondContact O-N 3.23Å; K131-R133 PolarHBondContact O-N 3.39Å; K131-T143 VanDerWaalsContact CD-O 3.22Å; K131-T143 WeakPolarHBondContact CD-O 3.08Å; K131-T143 WeakPolarHBondContact CE-O 3.38Å; K131-T143 VanDerWaalsContact CG-O 3.24Å; K131-T143 WeakPolarHBondContact CG-O 3.06Å
132	Y	74.8	Confident	83.7	Confident	191 Å²	191	83.6 Å²	83.6	75%	0.749	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.2	15.4	171.7	-53.5	-68.5	0	0	0	115.6	H134 I141 F142	Y132-H134 PolarHBondContact O-N 3.47Å; Y132-I141 HydrophobicContact CD1-CG2 4.04Å; Y132-F142 PolarHBondContact N-O 3.49Å
133	R	72.1	Confident	83.8	Confident	132 Å²	132	79.4 Å²	79.4	50%	0.498	42%	0.417	S	S	.	.			trans	-83.3	113.2	176.5	-169.2	170.8	-178.5	171	2.5	109.3	T130 K131 R135 F142	T130-R133 HydrophobicContact CG2-CB 4.26Å; K131-R133 PolarHBondContact O-N 3.39Å; R133-R135 HydrophobicContact CG-CG 4.14Å; R133-R135 PolarHBondContact O-N 2.89Å; R133-F142 WeakPolarHBondContact O-CD2 3.39Å
134	H	68.8	Low	83.7	Confident	154 Å²	154	79.2 Å²	79.2	71%	0.713	42%	0.416	S	S	*	.			trans	-72.4	116.8	166.2	-172.8	65.6	0	0	0	108.5	Y132	Y132-H134 PolarHBondContact O-N 3.47Å
135	R	71.6	Confident	83.8	Confident	85 Å²	85	76.3 Å²	76.3	32%	0.321	40%	0.396	S	S	.	.			trans	-108.3	130.5	171.6	-67.9	-168.1	-177.5	-163.5	8.7	108.9	Y121 R133 G137 G138 F142	Y121-R135 HydrophobicContact CE1-CB 4.49Å; Y121-R135 VanDerWaalsContact CE1-CD 3.41Å; Y121-R135 WeakPolarHBondContact OH-CB 3.08Å; R133-R135 HydrophobicContact CG-CG 4.14Å; R133-R135 PolarHBondContact O-N 2.89Å; R135-G137 PolarHBondContact O-N 3Å; R135-G138 PolarHBondContact O-N 3.22Å; R135-G138 VanDerWaalsContact O-N 3.15Å; R135-F142 HydrophobicContact CB-CE2 4.39Å; R135-F142 HydrophobicContact CG-CE2 4.27Å
136	P	69.3	Low	83.9	Confident	119 Å²	119	70.9 Å²	70.9	77%	0.773	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	124	173.2	-24.1	33.1	0	0	0	110.4
137	G	71	Confident	84	Confident	51 Å²	51	68.1 Å²	68.1	53%	0.526	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.8	9.8	179.4	0	0	0	0	0	116.6	R135	R135-G137 PolarHBondContact O-N 3Å
138	G	81.1	Confident	84.2	Confident	24 Å²	24	68.6 Å²	68.6	25%	0.247	36%	0.362	C	S	.	.			trans	-85	156.9	163.9	0	0	0	0	0	112.3	R135	R135-G138 PolarHBondContact O-N 3.22Å; R135-G138 VanDerWaalsContact O-N 3.15Å
139	Y	87.9	Confident	84.2	Confident	65 Å²	65	67.8 Å²	67.8	26%	0.255	36%	0.355	S	S	.	.	S	Bend	trans	-92.8	-4.5	-175.2	-65.4	-86.9	0	0	0	113.6	E117 A164 E165	E117-Y139 WeakPolarHBondContact OE1-CD2 3.35Å; E117-Y139 PolarHBondContact OE2-N 3.12Å; Y139-A164 HydrophobicContact CG-CB 4.46Å; Y139-E165 HydrophobicContact CD1-CB 4.2Å; Y139-E165 HydrophobicContact CE1-CB 3.65Å; Y139-E165 HydrophobicContact CE1-CG 4.39Å
140	G	89.5	Confident	84.1	Confident	19 Å²	19	73 Å²	73	20%	0.196	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.6	-166.6	177.7	0	0	0	0	0	113.9
141	I	91	Very high	84	Confident	87 Å²	87	76.3 Å²	76.3	45%	0.446	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	124.1	177.8	-58.1	173.7	0	0	0	109.1	Y132 T143 I158 K159	Y132-I141 HydrophobicContact CD1-CG2 4.04Å; I141-T143 PolarHBondContact O-N 3.26Å; I141-I158 CarbonylContact O-C 3.59Å; I141-I158 WeakPolarHBondContact O-CA 3.46Å; I141-K159 PolarHBondContact N-O 3.5Å; I141-K159 PolarHBondContact O-N 2.05Å
142	F	90.8	Very high	84	Confident	5 Å²	5	78.8 Å²	78.8	2%	0.022	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	129.4	178.7	-67.5	-68.2	0	0	0	112.6	E117 Y121 T130 Y132 R133 R135 C156 E157 I158	E117-F142 HydrophobicContact CG-CE1 4.44Å; Y121-F142 AromaticContact CD1-CZ 3.91Å; Y121-F142 HydrophobicContact CD1-CZ 3.91Å; Y121-F142 HydrophobicContact CD2-CE1 4.25Å; Y121-F142 AromaticContact CD2-CZ 3.63Å; Y121-F142 HydrophobicContact CD2-CZ 3.63Å; Y121-F142 HydrophobicContact CE1-CE2 4.5Å; Y121-F142 HydrophobicContact CE1-CZ 4.17Å; Y121-F142 AromaticContact CE2-CZ 3.82Å; Y121-F142 HydrophobicContact CE2-CZ 3.82Å; Y121-F142 HydrophobicContact CG-CE1 4.1Å; Y121-F142 AromaticContact CG-CZ 3.62Å; Y121-F142 HydrophobicContact CG-CZ 3.62Å; T130-F142 WeakPolarHBondContact O-CB 3.24Å; Y132-F142 PolarHBondContact N-O 3.49Å; R133-F142 WeakPolarHBondContact O-CD2 3.39Å; R135-F142 HydrophobicContact CB-CE2 4.39Å; R135-F142 HydrophobicContact CG-CE2 4.27Å; F142-C156 HydrophobicContact CD1-CB 3.54Å; F142-C156 HydrophobicContact CE1-CB 3.58Å; F142-E157 WeakPolarHBondContact CA-O 3.35Å; F142-I158 HydrophobicContact CD1-CG2 3.54Å; F142-I158 HydrophobicContact CE1-CG2 3.54Å; F142-I158 HydrophobicContact CG-CG2 4.33Å; F142-I158 HydrophobicContact CZ-CG2 4.33Å
143	T	91.5	Very high	84.8	Confident	22 Å²	22	73 Å²	73	14%	0.135	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	-18.4	175.6	63.6	0	0	0	0	113	Y114 K131 I141 N145 E157 K159	Y114-T143 HydrophobicContact CD1-CG2 3.66Å; Y114-T143 HydrophobicContact CE1-CG2 3.77Å; K131-T143 VanDerWaalsContact CD-O 3.22Å; K131-T143 WeakPolarHBondContact CD-O 3.08Å; K131-T143 WeakPolarHBondContact CE-O 3.38Å; K131-T143 VanDerWaalsContact CG-O 3.24Å; K131-T143 WeakPolarHBondContact CG-O 3.06Å; I141-T143 PolarHBondContact O-N 3.26Å; T143-N145 PolarHBondContact OG1-N 3.27Å; T143-E157 WeakPolarHBondContact CB-OE2 3.36Å; T143-E157 HydrophobicContact CG2-CG 4.12Å; T143-E157 PolarHBondContact N-O 3.47Å; T143-E157 WeakPolarHBondContact OG1-CB 3.43Å; T143-E157 PolarHBondContact OG1-O 3.24Å; T143-E157 PolarHBondContact OG1-OE2 3.4Å; T143-K159 HydrophobicContact CG2-CB 4.26Å
144	G	90.3	Very high	85.8	Confident	3 Å²	3	68.8 Å²	68.8	3%	0.031	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	85.4	11.5	-176.2	0	0	0	0	0	115.4	D126 C129	D126-G144 WeakPolarHBondContact CB-O 3.21Å; D126-G144 VanDerWaalsContact O-O 3.09Å; C129-G144 WeakPolarHBondContact O-CA 3.21Å
145	N	93.1	Very high	86.9	Confident	61 Å²	61	61.8 Å²	61.8	33%	0.326	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	146.2	172.3	-55	-31.7	0	0	0	109.6	T143 V147 E157	T143-N145 PolarHBondContact OG1-N 3.27Å; N145-V147 HydrophobicContact CB-CG1 4.39Å; N145-E157 HydrophobicContact CB-CB 4.19Å; N145-E157 PolarHBondContact ND2-OE2 3.32Å; N145-E157 PolarHBondContact O-N 3.27Å
146	C	92.9	Very high	87.9	Confident	24 Å²	24	58.1 Å²	58.1	16%	0.162	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	112.6	171.8	-176.2	0	0	0	0	109.2	C123 D126 S154	C123-C146 HydrophobicContact CB-CB 3.85Å; C123-C146 WeakPolarHBondContact CB-SG 3.31Å; C123-C146 PolarHBondContact O-SG 3.03Å; C123-C146 VanDerWaalsContact O-SG 3.41Å; C123-C146 WeakPolarHBondContact SG-CA 3.46Å; C123-C146 WeakPolarHBondContact SG-CB 3.05Å; C123-C146 CovalentContact SG-SG 2.02Å; C123-C146 PolarHBondContact SG-SG 2.67Å; D126-C146 WeakPolarHBondContact OD1-CB 3.43Å; D126-C146 PolarHBondContact OD1-N 3.38Å; C146-S154 VanDerWaalsContact SG-CB 3.58Å
147	V	94.4	Very high	89.1	Confident	30 Å²	30	54 Å²	54	18%	0.182	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	146.9	-173.6	-62.5	0	0	0	0	111.2	P116 N145 F149 S154 M155 E157	P116-V147 HydrophobicContact CB-CG2 3.77Å; P116-V147 HydrophobicContact CG-CG2 4.33Å; N145-V147 HydrophobicContact CB-CG1 4.39Å; V147-F149 PolarHBondContact O-N 2.95Å; V147-S154 CarbonylContact O-C 3.52Å; V147-S154 WeakPolarHBondContact O-CA 3.28Å; V147-M155 PolarHBondContact N-O 2.77Å; V147-M155 PolarHBondContact O-N 3.02Å; V147-M155 VanDerWaalsContact O-O 3.1Å; V147-E157 HydrophobicContact CG1-CB 3.93Å; V147-E157 HydrophobicContact CG1-CG 4.41Å; V147-E157 HydrophobicContact CG2-CB 3.78Å; V147-E157 HydrophobicContact CG2-CG 4.4Å
148	P	92.2	Very high	90.1	Very high	105 Å²	105	51.6 Å²	51.6	68%	0.682	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.9	132.9	179.2	26.9	-33.7	0	0	0	111.2
149	F	88.2	Confident	90.7	Very high	55 Å²	55	55.7 Å²	55.7	24%	0.241	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	-48.5	176.5	176	-122.6	0	0	0	112.4	P116 T118 V147 I153 M155 I166	P116-F149 HydrophobicContact CB-CB 3.95Å; P116-F149 HydrophobicContact CB-CD2 3.98Å; P116-F149 HydrophobicContact CB-CG 4.32Å; P116-F149 HydrophobicContact CG-CB 4.29Å; P116-F149 HydrophobicContact CG-CD2 3.75Å; P116-F149 HydrophobicContact CG-CG 4.47Å; T118-F149 HydrophobicContact CG2-CE2 4.14Å; T118-F149 HydrophobicContact CG2-CZ 3.98Å; V147-F149 PolarHBondContact O-N 2.95Å; F149-I153 PolarHBondContact N-O 3.42Å; F149-M155 HydrophobicContact CB-CB 4.12Å; F149-M155 HydrophobicContact CB-CG 3.64Å; F149-M155 HydrophobicContact CD1-CE 4.14Å; F149-M155 HydrophobicContact CD1-CG 4.1Å; F149-M155 HydrophobicContact CG-CG 4.06Å; F149-I166 HydrophobicContact CZ-CD1 4.18Å
150	K	86.5	Confident	91	Very high	117 Å²	117	53 Å²	53	51%	0.509	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	170.5	175.1	-72.1	-178.3	-179.4	177.2	0	109.9	N152 I153	K150-N152 PolarHBondContact O-N 3.06Å; K150-I153 HydrophobicContact CB-CB 4.29Å; K150-I153 PolarHBondContact N-O 3.47Å; K150-I153 PolarHBondContact O-N 3.02Å; K150-I153 VanDerWaalsContact O-O 3.09Å
151	T	83.3	Confident	91.3	Very high	133 Å²	133	54.5 Å²	54.5	82%	0.816	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	116.8	172.2	46.6	0	0	0	0	110.1	I153	T151-I153 VanDerWaalsContact C-N 3.3Å; T151-I153 PolarHBondContact O-N 3.19Å
152	N	84.6	Confident	91.4	Very high	173 Å²	173	50.9 Å²	50.9	93%	0.925	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.4	15.6	-176.8	-55	-27.5	0	0	0	116.5	K150	K150-N152 PolarHBondContact O-N 3.06Å
153	I	90.4	Very high	91.6	Very high	69 Å²	69	54.1 Å²	54.1	35%	0.354	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	115.7	175.6	-55.5	176.3	0	0	0	109.3	F149 K150 T151 M155	F149-I153 PolarHBondContact N-O 3.42Å; K150-I153 HydrophobicContact CB-CB 4.29Å; K150-I153 PolarHBondContact N-O 3.47Å; K150-I153 PolarHBondContact O-N 3.02Å; K150-I153 VanDerWaalsContact O-O 3.09Å; T151-I153 VanDerWaalsContact C-N 3.3Å; T151-I153 PolarHBondContact O-N 3.19Å; I153-M155 HydrophobicContact CG2-CE 3.88Å; I153-M155 HydrophobicContact CG2-CG 4.47Å
154	S	92.9	Very high	91.6	Very high	43 Å²	43	53.2 Å²	53.2	30%	0.301	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	144.6	172.5	-59.8	0	0	0	0	110.4	N122 C123 C146 V147	N122-S154 WeakPolarHBondContact CA-O 3.46Å; C123-S154 PolarHBondContact N-O 3.5Å; C123-S154 WeakPolarHBondContact O-CB 3.35Å; C146-S154 VanDerWaalsContact SG-CB 3.58Å; V147-S154 CarbonylContact O-C 3.52Å; V147-S154 WeakPolarHBondContact O-CA 3.28Å
155	M	92.6	Very high	91.7	Very high	8 Å²	8	53.1 Å²	53.1	4%	0.039	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	150.5	-174.5	-68.1	-79.3	-169.5	0	0	109.6	P116 E117 T118 Y121 N122 C123 V147 F149 I153 E157	P116-M155 HydrophobicContact CB-CB 3.95Å; E117-M155 HydrophobicContact CB-CB 4.49Å; E117-M155 WeakPolarHBondContact O-CB 3.5Å; E117-M155 WeakPolarHBondContact O-CG 3.38Å; T118-M155 VanDerWaalsContact O-CE 3.29Å; T118-M155 WeakPolarHBondContact O-CE 3.12Å; Y121-M155 WeakPolarHBondContact O-CA 3.37Å; N122-M155 WeakPolarHBondContact OD1-CE 3.36Å; N122-M155 PolarHBondContact OD1-SD 3.08Å; C123-M155 PolarHBondContact SG-O 3.22Å; C123-M155 VanDerWaalsContact SG-O 3.36Å; V147-M155 PolarHBondContact N-O 2.77Å; V147-M155 PolarHBondContact O-N 3.02Å; V147-M155 VanDerWaalsContact O-O 3.1Å; F149-M155 HydrophobicContact CB-CB 4.12Å; F149-M155 HydrophobicContact CB-CG 3.64Å; F149-M155 HydrophobicContact CD1-CE 4.14Å; F149-M155 HydrophobicContact CD1-CG 4.1Å; F149-M155 HydrophobicContact CG-CG 4.06Å; I153-M155 HydrophobicContact CG2-CE 3.88Å; I153-M155 HydrophobicContact CG2-CG 4.47Å; M155-E157 PolarHBondContact O-N 3.44Å
156	C	92.3	Very high	91.4	Very high	7 Å²	7	52.6 Å²	52.6	5%	0.047	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	133.7	174.7	-68.8	0	0	0	0	110.7	E117 Y121 C123 C129 F142	E117-C156 WeakPolarHBondContact CB-O 3.38Å; E117-C156 PolarHBondContact N-O 3.48Å; Y121-C156 PolarHBondContact O-N 3.28Å; C123-C156 PolarHBondContact SG-N 2.66Å; C123-C156 VanDerWaalsContact SG-N 3.42Å; C129-C156 VanDerWaalsContact CA-SG 3.51Å; C129-C156 HydrophobicContact CB-CB 3.81Å; C129-C156 WeakPolarHBondContact CB-SG 3.24Å; C129-C156 WeakPolarHBondContact SG-CA 3.36Å; C129-C156 WeakPolarHBondContact SG-CB 3.32Å; C129-C156 CovalentContact SG-SG 2.04Å; C129-C156 PolarHBondContact SG-SG 3.4Å; F142-C156 HydrophobicContact CD1-CB 3.54Å; F142-C156 HydrophobicContact CE1-CB 3.58Å
157	E	93.8	Very high	90.9	Very high	33 Å²	33	53.8 Å²	53.8	15%	0.154	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	135.5	175.9	-178.6	-173.4	-121.4	0	0	110.5	C115 F142 T143 N145 V147 M155	C115-E157 WeakPolarHBondContact O-CA 3.02Å; F142-E157 WeakPolarHBondContact CA-O 3.35Å; T143-E157 WeakPolarHBondContact CB-OE2 3.36Å; T143-E157 HydrophobicContact CG2-CG 4.12Å; T143-E157 PolarHBondContact N-O 3.47Å; T143-E157 WeakPolarHBondContact OG1-CB 3.43Å; T143-E157 PolarHBondContact OG1-O 3.24Å; T143-E157 PolarHBondContact OG1-OE2 3.4Å; N145-E157 HydrophobicContact CB-CB 4.19Å; N145-E157 PolarHBondContact ND2-OE2 3.32Å; N145-E157 PolarHBondContact O-N 3.27Å; V147-E157 HydrophobicContact CG1-CB 3.93Å; V147-E157 HydrophobicContact CG1-CG 4.41Å; V147-E157 HydrophobicContact CG2-CB 3.78Å; V147-E157 HydrophobicContact CG2-CG 4.4Å; M155-E157 PolarHBondContact O-N 3.44Å
158	I	93.6	Very high	90	Very high	0 Å²	0	57 Å²	57	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	148.4	177.3	58.3	162.7	0	0	0	110.7	Y114 C115 E117 I141 F142 A164	Y114-I158 WeakPolarHBondContact CA-O 3.39Å; C115-I158 PolarHBondContact N-O 3.23Å; C115-I158 VanDerWaalsContact N-O 3.09Å; C115-I158 VanDerWaalsContact O-CG1 3.25Å; C115-I158 WeakPolarHBondContact O-CG1 3.43Å; C115-I158 PolarHBondContact O-N 3.48Å; E117-I158 HydrophobicContact CB-CG2 4.24Å; I141-I158 CarbonylContact O-C 3.59Å; I141-I158 WeakPolarHBondContact O-CA 3.46Å; F142-I158 HydrophobicContact CD1-CG2 3.54Å; F142-I158 HydrophobicContact CE1-CG2 3.54Å; F142-I158 HydrophobicContact CG-CG2 4.33Å; F142-I158 HydrophobicContact CZ-CG2 4.33Å; I158-A164 HydrophobicContact CD1-CB 4.16Å
159	K	93.7	Very high	89.4	Confident	110 Å²	110	56.6 Å²	56.6	48%	0.478	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	122.4	166.3	-174.1	177.6	-177.8	167.7	0	109.1	G113 Y114 I141 T143	G113-K159 WeakPolarHBondContact O-CA 3.41Å; Y114-K159 HydrophobicContact CD1-CB 4.03Å; Y114-K159 HydrophobicContact CD1-CG 4.25Å; Y114-K159 HydrophobicContact CE1-CB 3.84Å; Y114-K159 HydrophobicContact CE1-CD 3.79Å; Y114-K159 HydrophobicContact CE1-CG 3.82Å; Y114-K159 PolarHBondContact OH-NZ 2.75Å; I141-K159 PolarHBondContact N-O 3.5Å; I141-K159 PolarHBondContact O-N 2.05Å; T143-K159 HydrophobicContact CG2-CB 4.26Å
160	G	93.5	Very high	88.9	Confident	10 Å²	10	63.4 Å²	63.4	10%	0.103	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	167.2	-149	-177.5	0	0	0	0	0	112.6	Q112 G113 C162	Q112-G160 WeakPolarHBondContact CA-O 3.36Å; Q112-G160 PolarHBondContact OE1-O 2.96Å; G113-G160 PolarHBondContact N-O 3.31Å; G113-G160 PolarHBondContact O-N 3.44Å; G160-C162 PolarHBondContact O-N 3.47Å
161	W	95	Very high	88.8	Confident	49 Å²	49	59 Å²	59	19%	0.186	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	114.5	176	-71.7	101	0	0	0	110.5	Q110 Q112 Y294 R304	Q110-W161 HydrophobicContact CB-CB 4.23Å; Q110-W161 HydrophobicContact CB-CE3 3.95Å; Q110-W161 WeakPolarHBondContact O-CZ3 3.42Å; Q112-W161 HydrophobicContact CG-CD2 4.49Å; Q112-W161 HydrophobicContact CG-CE3 4.45Å; Q112-W161 HydrophobicContact CG-CH2 4.37Å; Q112-W161 HydrophobicContact CG-CZ2 4.38Å; Q112-W161 HydrophobicContact CG-CZ3 4.4Å; Q112-W161 VanDerWaalsContact NE2-CD1 3.28Å; Q112-W161 VanDerWaalsContact NE2-CD2 3.29Å; W161-Y294 HydrophobicContact CH2-CD1 4.33Å; W161-Y294 AromaticContact CH2-CE1 4Å; W161-Y294 HydrophobicContact CH2-CE1 4Å; W161-Y294 HydrophobicContact CZ2-CD1 4.49Å; W161-Y294 AromaticContact CZ2-CE1 3.73Å; W161-Y294 HydrophobicContact CZ2-CE1 3.73Å; W161-R304 VanDerWaalsContact CD2-CD 3.47Å; W161-R304 HydrophobicContact CD2-CG 4.01Å; W161-R304 VanDerWaalsContact CD2-NE 3.26Å; W161-R304 HydrophobicContact CE3-CG 3.65Å; W161-R304 VanDerWaalsContact CG-NE 3.3Å; W161-R304 VanDerWaalsContact CG-NH2 3.33Å; W161-R304 HydrophobicContact CH2-CB 4.38Å; W161-R304 HydrophobicContact CH2-CG 4.18Å; W161-R304 HydrophobicContact CZ3-CB 4.17Å; W161-R304 HydrophobicContact CZ3-CG 3.74Å
162	C	94.5	Very high	89.2	Confident	11 Å²	11	60.3 Å²	60.3	7%	0.074	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	139.1	-173.3	-71.2	0	0	0	0	111.5	Q110 V111 C115 G160	Q110-C162 CarbonylContact C-O 3.54Å; Q110-C162 VanDerWaalsContact CA-O 3.25Å; Q110-C162 WeakPolarHBondContact CA-O 3.46Å; V111-C162 PolarHBondContact N-O 3.15Å; V111-C162 PolarHBondContact O-N 2.75Å; C115-C162 HydrophobicContact CB-CB 3.6Å; C115-C162 WeakPolarHBondContact CB-SG 3.29Å; C115-C162 PolarHBondContact N-SG 3.01Å; C115-C162 WeakPolarHBondContact SG-CA 3.43Å; C115-C162 WeakPolarHBondContact SG-CB 3.29Å; C115-C162 CovalentContact SG-SG 2.04Å; C115-C162 PolarHBondContact SG-SG 2.89Å; G160-C162 PolarHBondContact O-N 3.47Å
163	P	94.4	Very high	89.6	Confident	73 Å²	73	53.2 Å²	53.2	47%	0.474	28%	0.275	S	S	.	.	S	Bend	cis	-71.9	151.3	0.7	30.7	-35.5	0	0	0	112.7	T107 Q110	T107-P163 HydrophobicContact CG2-CG 4.35Å; Q110-P163 PolarHBondContact NE2-O 2.02Å
164	A	92.1	Very high	89.8	Confident	4 Å²	4	50.2 Å²	50.2	3%	0.033	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-66.4	153.8	174.9	0	0	0	0	0	111.7	T118 Y139 I158	T118-A164 HydrophobicContact CG2-CB 3.78Å; Y139-A164 HydrophobicContact CG-CB 4.46Å; I158-A164 HydrophobicContact CD1-CB 4.16Å
165	E	91.4	Very high	89.8	Confident	1 Å²	1	52.8 Å²	52.8	1%	0.005	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-66.5	140.8	-179.2	-178.6	-171.1	142.6	0	0	111	T118 Y139 R290 L306 K308	T118-E165 WeakPolarHBondContact CB-O 3.1Å; T118-E165 WeakPolarHBondContact CG2-O 3.24Å; T118-E165 PolarHBondContact OG1-O 2.79Å; Y139-E165 HydrophobicContact CD1-CB 4.2Å; Y139-E165 HydrophobicContact CE1-CB 3.65Å; Y139-E165 HydrophobicContact CE1-CG 4.39Å; E165-R290 IonicContact OE1-CZ 3.54Å; E165-R290 IonicContact OE1-NE 2.76Å; E165-R290 PolarHBondContact OE1-NE 2.75Å; E165-R290 IonicContact OE1-NH2 3.53Å; E165-R290 PolarHBondContact OE1-NH2 2.76Å; E165-R290 WeakPolarHBondContact OE2-CD 3.46Å; E165-R290 IonicContact OE2-CZ 3.71Å; E165-R290 IonicContact OE2-NE 3.43Å; E165-R290 PolarHBondContact OE2-NE 3.14Å; E165-R290 IonicContact OE2-NH2 2.82Å; E165-L306 HydrophobicContact CB-CD2 4.17Å; E165-L306 WeakPolarHBondContact OE2-CD2 3.43Å; E165-K308 WeakPolarHBondContact OE1-CD 3.34Å
166	I	87.8	Confident	90	Very high	50 Å²	50	55.6 Å²	55.6	26%	0.256	29%	0.285	S	S	.	.			trans	-111.4	102.4	175	-57.5	173.5	0	0	0	108	T118 F149 T168 I169	T118-I166 HydrophobicContact CG2-CG1 3.73Å; F149-I166 HydrophobicContact CZ-CD1 4.18Å; I166-T168 VanDerWaalsContact C-N 3.26Å; I166-T168 WeakPolarHBondContact CG2-OG1 3.21Å; I166-T168 PolarHBondContact O-N 3.07Å; I166-I169 HydrophobicContact CB-CD1 4.33Å; I166-I169 HydrophobicContact CG2-CD1 4.35Å; I166-I169 HydrophobicContact CG2-CG1 4.07Å
167	D	81.9	Confident	90.2	Very high	49 Å²	49	55.2 Å²	55.2	26%	0.262	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-8.3	-176.3	-152	5.6	0	0	0	112.3	I105 E119 I169 R290 K308	I105-D167 WeakPolarHBondContact CD1-OD1 3.34Å; E119-D167 VanDerWaalsContact OE1-CA 3.31Å; E119-D167 WeakPolarHBondContact OE1-CA 3.29Å; E119-D167 WeakPolarHBondContact OE1-CB 3.22Å; E119-D167 PolarHBondContact OE1-N 3.43Å; D167-I169 VanDerWaalsContact C-N 3.27Å; D167-I169 PolarHBondContact O-N 2.89Å; D167-R290 IonicContact OD2-NH2 3.52Å; D167-K308 IonicContact OD1-NZ 3.19Å; D167-K308 PolarHBondContact OD1-NZ 3.06Å; D167-K308 IonicContact OD2-NZ 2.86Å; D167-K308 PolarHBondContact OD2-NZ 2.89Å
168	T	76.1	Confident	90.3	Very high	97 Å²	97	57.7 Å²	57.7	60%	0.595	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-12.5	178.5	59	0	0	0	0	114.2	I166 K170	I166-T168 VanDerWaalsContact C-N 3.26Å; I166-T168 WeakPolarHBondContact CG2-OG1 3.21Å; I166-T168 PolarHBondContact O-N 3.07Å; T168-K170 PolarHBondContact O-N 2.78Å
169	I	78.6	Confident	90.4	Very high	96 Å²	96	62.3 Å²	62.3	49%	0.492	32%	0.319	S	S	.	.			trans	-74.9	112.1	178.8	-59.9	175.2	0	0	0	108.9	I166 D167 T171	I166-I169 HydrophobicContact CB-CD1 4.33Å; I166-I169 HydrophobicContact CG2-CD1 4.35Å; I166-I169 HydrophobicContact CG2-CG1 4.07Å; D167-I169 VanDerWaalsContact C-N 3.27Å; D167-I169 PolarHBondContact O-N 2.89Å; I169-T171 HydrophobicContact CG2-CG2 4.32Å; I169-T171 PolarHBondContact O-N 3.17Å
170	K	77.8	Confident	90.6	Very high	199 Å²	199	57.3 Å²	57.3	87%	0.865	30%	0.297	S	S	*	.			trans	-78	112	173	-66.3	-172.6	178.7	-175.2	0	109.5	T168	T168-K170 PolarHBondContact O-N 2.78Å
171	T	85.4	Confident	90.8	Very high	24 Å²	24	59 Å²	59	15%	0.147	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-97	148.4	168.8	51.7	0	0	0	0	110.6	Y78 K103 M104 I105 I169	Y78-T171 WeakPolarHBondContact OH-CB 3.47Å; Y78-T171 PolarHBondContact OH-OG1 2.84Å; K103-T171 WeakPolarHBondContact CE-O 3.4Å; K103-T171 WeakPolarHBondContact CE-OG1 3.2Å; K103-T171 WeakPolarHBondContact CG-OG1 3.34Å; K103-T171 PolarHBondContact NZ-O 3.34Å; M104-T171 PolarHBondContact O-OG1 2.88Å; M104-T171 VanDerWaalsContact O-OG1 3.1Å; I105-T171 HydrophobicContact CG1-CG2 4.47Å; I169-T171 HydrophobicContact CG2-CG2 4.32Å; I169-T171 PolarHBondContact O-N 3.17Å
172	E	90.9	Very high	91	Very high	160 Å²	160	56.6 Å²	56.6	75%	0.748	30%	0.296	S	S	*	.	P	Polyproline II helix	trans	-82.8	139.1	175.9	-65.9	-171.8	168.1	0	0	110.5	Y78	Y78-E172 WeakPolarHBondContact CE2-O 3.48Å
173	P	93.3	Very high	91.1	Very high	25 Å²	25	58.2 Å²	58.2	16%	0.162	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-68	155	175	-18.6	31.5	0	0	0	113.9	T102 K103 N175 A242 D243	T102-P173 CarbonylContact O-C 3.52Å; T102-P173 WeakPolarHBondContact O-CA 3.3Å; K103-P173 HydrophobicContact CB-CB 4.33Å; K103-P173 HydrophobicContact CB-CG 4.48Å; K103-P173 HydrophobicContact CD-CG 4.36Å; P173-N175 PolarHBondContact O-N 2.96Å; P173-N175 VanDerWaalsContact O-N 3.14Å; P173-A242 HydrophobicContact CB-CB 3.7Å; P173-A242 HydrophobicContact CG-CB 4.22Å; P173-D243 HydrophobicContact CG-CB 4.05Å
174	M	94.8	Very high	91.2	Very high	6 Å²	6	54.8 Å²	54.8	3%	0.03	28%	0.28	C	S	.	.			trans	-74.9	96	173	-169.2	165.1	67.1	0	0	110.5	Y78 M83 Y88 T102 D176 V177 F180	Y78-M174 HydrophobicContact CD2-CB 3.88Å; M83-M174 HydrophobicContact CB-SD 3.99Å; M83-M174 HydrophobicContact CG-SD 4.12Å; Y88-M174 HydrophobicContact CD1-CE 3.97Å; Y88-M174 HydrophobicContact CG-CE 4.2Å; T102-M174 PolarHBondContact O-N 2.92Å; M174-D176 HydrophobicContact CG-CB 4.35Å; M174-D176 PolarHBondContact O-N 3.36Å; M174-V177 HydrophobicContact CB-CG2 4.13Å; M174-V177 HydrophobicContact CE-CG2 3.37Å; M174-V177 HydrophobicContact CG-CG2 4.2Å; M174-V177 WeakPolarHBondContact O-CG2 3.43Å; M174-V177 PolarHBondContact O-N 2.91Å; M174-F180 HydrophobicContact CE-CE2 3.85Å; M174-F180 HydrophobicContact CE-CZ 3.84Å
175	N	93.4	Very high	91.4	Very high	97 Å²	97	58.8 Å²	58.8	52%	0.519	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-65.4	-24.6	-177.2	-67.8	-37.3	0	0	0	113.7	P173 V177 E178	P173-N175 PolarHBondContact O-N 2.96Å; P173-N175 VanDerWaalsContact O-N 3.14Å; N175-V177 PolarHBondContact O-N 3.32Å; N175-E178 PolarHBondContact O-N 3.43Å
176	D	95.6	Very high	91.7	Very high	66 Å²	66	58.8 Å²	58.8	35%	0.353	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-58.8	-22.2	178.3	-61.7	-54.8	0	0	0	113.4	G76 N77 M174 E178 N179 F180	G76-D176 WeakPolarHBondContact CA-OD2 3.49Å; N77-D176 PolarHBondContact N-OD2 3.29Å; M174-D176 HydrophobicContact CG-CB 4.35Å; M174-D176 PolarHBondContact O-N 3.36Å; D176-E178 PolarHBondContact O-N 3.04Å; D176-E178 VanDerWaalsContact O-N 3.16Å; D176-N179 PolarHBondContact O-N 3.42Å; D176-F180 HydrophobicContact CB-CE1 3.99Å; D176-F180 HydrophobicContact CB-CZ 4.46Å; D176-F180 WeakPolarHBondContact O-CD1 3.33Å; D176-F180 WeakPolarHBondContact O-CE1 3.35Å
177	V	96.4	Very high	92.1	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-56.6	-31.6	179	173.9	0	0	0	0	112.1	I100 T102 M174 N175 N179 F180 V227 F238	I100-V177 HydrophobicContact CG2-CG1 3.64Å; I100-V177 HydrophobicContact CG2-CG2 4.15Å; T102-V177 HydrophobicContact CG2-CB 4.31Å; T102-V177 HydrophobicContact CG2-CG1 3.99Å; T102-V177 HydrophobicContact CG2-CG2 4.2Å; M174-V177 HydrophobicContact CB-CG2 4.13Å; M174-V177 HydrophobicContact CE-CG2 3.37Å; M174-V177 HydrophobicContact CG-CG2 4.2Å; M174-V177 WeakPolarHBondContact O-CG2 3.43Å; M174-V177 PolarHBondContact O-N 2.91Å; N175-V177 PolarHBondContact O-N 3.32Å; V177-N179 PolarHBondContact O-N 2.92Å; V177-F180 HydrophobicContact CB-CD2 4.29Å; V177-F180 HydrophobicContact CB-CE2 4.33Å; V177-F180 HydrophobicContact CG1-CD2 4.29Å; V177-F180 HydrophobicContact CG2-CD2 4.15Å; V177-F180 HydrophobicContact CG2-CE2 3.74Å; V177-F180 HydrophobicContact CG2-CZ 4.18Å; V177-F180 WeakPolarHBondContact O-CB 3.41Å; V177-F180 PolarHBondContact O-N 2.91Å; V177-V227 HydrophobicContact CG1-CG1 4.23Å; V177-V227 WeakPolarHBondContact O-CB 3.34Å; V177-F238 HydrophobicContact CB-CE2 3.96Å; V177-F238 HydrophobicContact CB-CZ 3.97Å; V177-F238 HydrophobicContact CG1-CE2 4.02Å
178	E	96.3	Very high	92.8	Very high	85 Å²	85	56.5 Å²	56.5	40%	0.397	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-59.4	-28.9	176.9	-169.2	174.9	-165.3	0	0	112.3	N175 D176 G228 F238	N175-E178 PolarHBondContact O-N 3.43Å; D176-E178 PolarHBondContact O-N 3.04Å; D176-E178 VanDerWaalsContact O-N 3.16Å; E178-G228 PolarHBondContact O-N 3.27Å; E178-F238 HydrophobicContact CB-CD1 4.12Å; E178-F238 HydrophobicContact CB-CD2 4.15Å; E178-F238 HydrophobicContact CB-CE1 4.1Å; E178-F238 HydrophobicContact CB-CE2 4.11Å; E178-F238 HydrophobicContact CB-CG 4.15Å; E178-F238 HydrophobicContact CB-CZ 4.1Å; E178-F238 HydrophobicContact CG-CG 4.3Å
179	N	96.6	Very high	93.8	Very high	97 Å²	97	56.2 Å²	56.2	52%	0.519	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-92.9	-1	179.3	-68.1	-47.8	0	0	0	114.2	D176 V177 K226	D176-N179 PolarHBondContact O-N 3.42Å; V177-N179 PolarHBondContact O-N 2.92Å; N179-K226 WeakPolarHBondContact OD1-CE 3.06Å; N179-K226 PolarHBondContact OD1-NZ 2.97Å
180	F	97.6	Very high	94.7	Very high	4 Å²	4	51.7 Å²	51.7	2%	0.018	25%	0.253	C	S	.	.			trans	-68.9	156.3	177.8	-68.2	2.3	0	0	0	111	V72 F75 Y88 I100 M174 D176 V177 K226 V227	V72-F180 HydrophobicContact CG1-CB 4.49Å; F75-F180 WeakPolarHBondContact O-CE1 3.2Å; Y88-F180 AromaticContact CD1-CE2 3.92Å; Y88-F180 HydrophobicContact CD1-CE2 3.92Å; Y88-F180 HydrophobicContact CD1-CZ 4.35Å; Y88-F180 HydrophobicContact CD2-CD2 4.41Å; Y88-F180 AromaticContact CD2-CE2 3.98Å; Y88-F180 HydrophobicContact CD2-CE2 3.98Å; Y88-F180 HydrophobicContact CE1-CD2 4.33Å; Y88-F180 AromaticContact CE1-CE2 3.43Å; Y88-F180 HydrophobicContact CE1-CE2 3.43Å; Y88-F180 VanDerWaalsContact CE1-CE2 3.43Å; Y88-F180 AromaticContact CE1-CZ 3.76Å; Y88-F180 HydrophobicContact CE1-CZ 3.76Å; Y88-F180 AromaticContact CE2-CD2 3.7Å; Y88-F180 HydrophobicContact CE2-CD2 3.7Å; Y88-F180 AromaticContact CE2-CE2 3.5Å; Y88-F180 HydrophobicContact CE2-CE2 3.5Å; Y88-F180 HydrophobicContact CG-CE2 4.19Å; Y88-F180 AromaticContact CZ-CD2 3.67Å; Y88-F180 AromaticContact CZ-CE2 3.22Å; Y88-F180 AromaticContact CZ-CZ 3.9Å; I100-F180 HydrophobicContact CG2-CD2 4.21Å; I100-F180 HydrophobicContact CG2-CE2 4.47Å; M174-F180 HydrophobicContact CE-CE2 3.85Å; M174-F180 HydrophobicContact CE-CZ 3.84Å; D176-F180 HydrophobicContact CB-CE1 3.99Å; D176-F180 HydrophobicContact CB-CZ 4.46Å; D176-F180 WeakPolarHBondContact O-CD1 3.33Å; D176-F180 WeakPolarHBondContact O-CE1 3.35Å; V177-F180 HydrophobicContact CB-CD2 4.29Å; V177-F180 HydrophobicContact CB-CE2 4.33Å; V177-F180 HydrophobicContact CG1-CD2 4.29Å; V177-F180 HydrophobicContact CG2-CD2 4.15Å; V177-F180 HydrophobicContact CG2-CE2 3.74Å; V177-F180 HydrophobicContact CG2-CZ 4.18Å; V177-F180 WeakPolarHBondContact O-CB 3.41Å; V177-F180 PolarHBondContact O-N 2.91Å; F180-K226 WeakPolarHBondContact O-CA 3.3Å; F180-V227 HydrophobicContact CB-CG2 3.98Å; F180-V227 PolarHBondContact O-N 3.36Å
181	T	97.6	Very high	95.6	Very high	45 Å²	45	44.4 Å²	44.4	28%	0.276	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	139	179.4	55	0	0	0	0	110.5	V72 K73 I224 F225	V72-T181 CarbonylContact C-O 3.58Å; V72-T181 WeakPolarHBondContact CA-O 3.12Å; K73-T181 PolarHBondContact N-O 2.86Å; K73-T181 PolarHBondContact O-N 3.09Å; K73-T181 PolarHBondContact O-OG1 2.98Å; T181-I224 HydrophobicContact CG2-CG2 3.97Å; T181-F225 CarbonylContact C-O 3.48Å; T181-F225 WeakPolarHBondContact CA-O 3.35Å
182	I	97.8	Very high	96.1	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	115.6	177.1	-59.8	166.2	0	0	0	106.6	V72 F98 I100 I184 F225 V227 I230 F314	V72-I182 HydrophobicContact CG2-CG1 4.35Å; F98-I182 HydrophobicContact CE1-CG2 4.34Å; F98-I182 HydrophobicContact CE2-CD1 4.06Å; F98-I182 HydrophobicContact CE2-CG1 4.24Å; F98-I182 HydrophobicContact CE2-CG2 4.28Å; F98-I182 HydrophobicContact CZ-CD1 3.92Å; F98-I182 HydrophobicContact CZ-CG1 4.21Å; F98-I182 HydrophobicContact CZ-CG2 3.57Å; I100-I182 HydrophobicContact CD1-CD1 4.24Å; I100-I182 HydrophobicContact CD1-CG1 4.34Å; I182-I184 HydrophobicContact CG2-CD1 4.21Å; I182-I184 HydrophobicContact CG2-CG1 3.76Å; I182-F225 PolarHBondContact N-O 3.42Å; I182-F225 PolarHBondContact O-N 2.81Å; I182-V227 HydrophobicContact CD1-CG2 3.76Å; I182-V227 HydrophobicContact CG1-CG2 4.04Å; I182-I230 HydrophobicContact CD1-CD1 3.78Å; I182-F314 HydrophobicContact CD1-CD1 4.25Å; I182-F314 HydrophobicContact CD1-CD2 4.28Å; I182-F314 HydrophobicContact CD1-CE1 4.16Å; I182-F314 HydrophobicContact CD1-CE2 4.21Å; I182-F314 HydrophobicContact CD1-CG 4.3Å; I182-F314 HydrophobicContact CD1-CZ 4.14Å
183	F	96.8	Very high	96.3	Very high	45 Å²	45	41.7 Å²	41.7	20%	0.197	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	124.8	168.6	173.7	-96.7	0	0	0	109.4	T70 K71 K185 F200 P223 I224	T70-F183 CarbonylContact C-O 3.52Å; T70-F183 VanDerWaalsContact CA-O 3.27Å; T70-F183 WeakPolarHBondContact CA-O 3.11Å; K71-F183 HydrophobicContact CB-CB 4.3Å; K71-F183 HydrophobicContact CB-CD1 4.32Å; K71-F183 PolarHBondContact N-O 2.89Å; K71-F183 WeakPolarHBondContact O-CB 3.44Å; K71-F183 PolarHBondContact O-N 3.45Å; F183-K185 HydrophobicContact CE1-CB 3.74Å; F183-K185 HydrophobicContact CZ-CB 4.03Å; F183-F200 HydrophobicContact CE2-CD2 4.25Å; F183-F200 HydrophobicContact CE2-CE2 4.14Å; F183-F200 HydrophobicContact CZ-CD2 4.21Å; F183-F200 HydrophobicContact CZ-CE2 4.25Å; F183-P223 CarbonylContact C-O 3.59Å; F183-P223 VanDerWaalsContact CA-O 3.29Å; F183-P223 WeakPolarHBondContact CA-O 3.27Å; F183-P223 HydrophobicContact CD2-CB 3.89Å; F183-P223 HydrophobicContact CD2-CG 3.79Å; F183-P223 HydrophobicContact CE2-CB 3.68Å; F183-P223 HydrophobicContact CE2-CG 3.44Å; F183-P223 VanDerWaalsContact CE2-CG 3.44Å; F183-P223 HydrophobicContact CZ-CB 4.49Å; F183-P223 HydrophobicContact CZ-CG 4.5Å; F183-I224 HydrophobicContact CD2-CG1 4.21Å
184	I	97.5	Very high	96.5	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	117	177.9	-52.2	-179.5	0	0	0	109	V68 T70 I182 N199 P223 F225 I250 I252 V316	V68-I184 HydrophobicContact CG1-CG2 4.33Å; T70-I184 HydrophobicContact CG2-CG1 4.33Å; I182-I184 HydrophobicContact CG2-CD1 4.21Å; I182-I184 HydrophobicContact CG2-CG1 3.76Å; I184-N199 PolarHBondContact O-ND2 3.3Å; I184-P223 PolarHBondContact N-O 2.81Å; I184-P223 VanDerWaalsContact O-CB 3.29Å; I184-P223 WeakPolarHBondContact O-CB 3.39Å; I184-F225 HydrophobicContact CB-CD2 4.35Å; I184-F225 HydrophobicContact CB-CE2 3.99Å; I184-F225 HydrophobicContact CD1-CD2 3.8Å; I184-F225 HydrophobicContact CD1-CE2 3.87Å; I184-F225 HydrophobicContact CD1-CG 4.43Å; I184-F225 HydrophobicContact CG1-CD2 3.9Å; I184-F225 HydrophobicContact CG1-CE2 4Å; I184-I250 HydrophobicContact CD1-CD1 3.82Å; I184-I250 HydrophobicContact CD1-CG2 4Å; I184-I252 HydrophobicContact CG2-CD1 4.13Å; I184-V316 HydrophobicContact CD1-CG2 4.16Å; I184-V316 HydrophobicContact CG2-CG1 4.21Å
185	K	96.1	Very high	96.5	Very high	89 Å²	89	47.3 Å²	47.3	39%	0.387	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	115.3	168.9	-179.6	178.6	179.9	-179.4	0	108.6	V68 M69 F183 F200	V68-K185 WeakPolarHBondContact CA-O 3.27Å; M69-K185 HydrophobicContact CB-CB 4.38Å; M69-K185 PolarHBondContact N-O 3.44Å; M69-K185 PolarHBondContact O-N 2.92Å; F183-K185 HydrophobicContact CE1-CB 3.74Å; F183-K185 HydrophobicContact CZ-CB 4.03Å; K185-F200 HydrophobicContact CG-CB 4.24Å
186	N	97.1	Very high	96.6	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	132.1	176.1	174.7	-128	0	0	0	110.2	S66 S67 I188 G198 N199 I252 W254	S66-N186 PolarHBondContact OG-ND2 3.01Å; S67-N186 WeakPolarHBondContact O-CA 3.38Å; S67-N186 PolarHBondContact O-ND2 3.33Å; N186-I188 WeakPolarHBondContact OD1-CG2 3.36Å; N186-G198 WeakPolarHBondContact O-CA 3.48Å; N186-N199 PolarHBondContact N-OD1 2.79Å; N186-N199 PolarHBondContact O-N 3.15Å; N186-N199 VanDerWaalsContact O-N 3.15Å; N186-N199 PolarHBondContact O-OD1 3.03Å; N186-I252 HydrophobicContact CB-CD1 4.11Å; N186-W254 PolarHBondContact OD1-NE1 3.06Å
187	S	96.5	Very high	96.6	Very high	50 Å²	50	44.6 Å²	44.6	35%	0.35	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	133.2	171.3	-57.2	0	0	0	0	108.4	S66 S67	S66-S187 WeakPolarHBondContact CA-O 3.5Å; S67-S187 PolarHBondContact N-O 2.94Å; S67-S187 PolarHBondContact O-N 2.94Å
188	I	97.1	Very high	96.5	Very high	2 Å²	2	45.1 Å²	45.1	1%	0.01	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	149.7	-178.7	58.4	139.3	0	0	0	111.2	I64 E65 N186 F190 T196 K197 W254 V318	I64-I188 HydrophobicContact CD1-CB 3.8Å; I64-I188 HydrophobicContact CD1-CD1 4.18Å; I64-I188 HydrophobicContact CD1-CG2 3.67Å; I64-I188 HydrophobicContact CG1-CB 4.12Å; I64-I188 HydrophobicContact CG1-CG2 4.24Å; E65-I188 CarbonylContact O-C 3.59Å; E65-I188 VanDerWaalsContact O-CA 3.29Å; E65-I188 WeakPolarHBondContact O-CA 3.39Å; N186-I188 WeakPolarHBondContact OD1-CG2 3.36Å; I188-F190 HydrophobicContact CD1-CD2 4.25Å; I188-F190 HydrophobicContact CD1-CE2 3.58Å; I188-F190 HydrophobicContact CD1-CZ 4.25Å; I188-T196 VanDerWaalsContact O-CA 3.29Å; I188-T196 WeakPolarHBondContact O-CA 3.27Å; I188-T196 WeakPolarHBondContact O-CG2 3.34Å; I188-K197 HydrophobicContact CD1-CB 4.49Å; I188-K197 HydrophobicContact CG1-CB 4.36Å; I188-K197 WeakPolarHBondContact CG1-O 3.49Å; I188-K197 PolarHBondContact N-O 3.16Å; I188-K197 PolarHBondContact O-N 2.85Å; I188-W254 HydrophobicContact CD1-CB 3.87Å; I188-W254 HydrophobicContact CD1-CD2 3.55Å; I188-W254 HydrophobicContact CD1-CE3 3.86Å; I188-W254 HydrophobicContact CD1-CG 3.58Å; I188-W254 HydrophobicContact CG1-CD2 4.02Å; I188-W254 HydrophobicContact CG1-CE3 4.49Å; I188-W254 HydrophobicContact CG1-CG 4.23Å; I188-W254 HydrophobicContact CG1-CZ2 4.38Å; I188-W254 HydrophobicContact CG2-CG 4.32Å; I188-V318 HydrophobicContact CG2-CG1 3.91Å
189	R	97.3	Very high	96.4	Very high	91 Å²	91	41 Å²	41	34%	0.343	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	131.9	173.2	175.6	170	-178.1	-114.5	4.4	110.7	E65 P191 N194 Y195	E65-R189 HydrophobicContact CB-CB 4.15Å; E65-R189 PolarHBondContact N-O 2.85Å; E65-R189 PolarHBondContact O-N 3.08Å; E65-R189 IonicContact OE1-NH1 2.66Å; E65-R189 WeakPolarHBondContact OE2-CD 3.45Å; E65-R189 IonicContact OE2-CZ 2.82Å; E65-R189 IonicContact OE2-NE 2.71Å; E65-R189 IonicContact OE2-NH1 2.67Å; E65-R189 PolarHBondContact OE2-NH1 2.95Å; R189-P191 WeakPolarHBondContact O-CD 3.49Å; R189-N194 PolarHBondContact NH2-OD1 3.41Å; R189-N194 VanDerWaalsContact NH2-OD1 3.14Å; R189-Y195 CarbonylContact C-O 3.55Å; R189-Y195 VanDerWaalsContact CA-O 3.22Å; R189-Y195 WeakPolarHBondContact CA-O 3.35Å
190	F	97.5	Very high	96.2	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	97.5	169.2	-66.8	-73.3	0	0	0	107.7	D61 I64 I188 T192 F193 N194 Y195 W254 A322	D61-F190 HydrophobicContact CB-CD1 4.31Å; I64-F190 HydrophobicContact CB-CD1 4.26Å; I64-F190 HydrophobicContact CB-CE1 3.87Å; I64-F190 HydrophobicContact CD1-CE1 3.89Å; I64-F190 HydrophobicContact CD1-CE2 4.42Å; I64-F190 HydrophobicContact CD1-CZ 3.72Å; I64-F190 HydrophobicContact CG1-CD1 4.38Å; I64-F190 HydrophobicContact CG1-CE1 3.98Å; I64-F190 HydrophobicContact CG1-CZ 4.24Å; I188-F190 HydrophobicContact CD1-CD2 4.25Å; I188-F190 HydrophobicContact CD1-CE2 3.58Å; I188-F190 HydrophobicContact CD1-CZ 4.25Å; F190-T192 VanDerWaalsContact C-N 3.27Å; F190-T192 PolarHBondContact O-N 3.43Å; F190-F193 HydrophobicContact CB-CD2 4.2Å; F190-F193 PolarHBondContact O-N 3.49Å; F190-N194 PolarHBondContact O-N 3.23Å; F190-Y195 AromaticContact CD2-CD1 3.94Å; F190-Y195 HydrophobicContact CD2-CD1 3.94Å; F190-Y195 PolarHBondContact N-O 3.36Å; F190-Y195 PolarHBondContact O-N 3.14Å; F190-W254 HydrophobicContact CZ-CB 4.31Å; F190-A322 HydrophobicContact CB-CB 4.15Å; F190-A322 HydrophobicContact CD1-CB 3.6Å; F190-A322 HydrophobicContact CD2-CB 3.55Å; F190-A322 HydrophobicContact CE1-CB 3.75Å; F190-A322 HydrophobicContact CE2-CB 3.72Å; F190-A322 HydrophobicContact CG-CB 3.49Å; F190-A322 VanDerWaalsContact CG-CB 3.49Å; F190-A322 HydrophobicContact CZ-CB 3.81Å
191	P	96.4	Very high	95.9	Very high	46 Å²	46	41.6 Å²	41.6	30%	0.299	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-63.6	-32	-169.8	24.3	-33.7	0	0	0	112.6	D61 A63 E65 R189 F193 N194	D61-P191 WeakPolarHBondContact OD2-CD 3.33Å; A63-P191 WeakPolarHBondContact O-CD 3.49Å; E65-P191 HydrophobicContact CG-CG 4.45Å; R189-P191 WeakPolarHBondContact O-CD 3.49Å; P191-F193 PolarHBondContact O-N 2.95Å; P191-N194 PolarHBondContact O-N 3.06Å
192	T	95.7	Very high	95.4	Very high	89 Å²	89	46.1 Å²	46.1	55%	0.546	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-62.9	-32.3	-179.6	-59.9	0	0	0	0	111.7	V59 D61 F190	V59-T192 HydrophobicContact CG1-CG2 4.41Å; D61-T192 VanDerWaalsContact CG-OG1 3.28Å; D61-T192 WeakPolarHBondContact OD2-CB 3.3Å; D61-T192 PolarHBondContact OD2-N 3.1Å; D61-T192 PolarHBondContact OD2-OG1 3.44Å; F190-T192 VanDerWaalsContact C-N 3.27Å; F190-T192 PolarHBondContact O-N 3.43Å
193	F	95.5	Very high	95	Very high	38 Å²	38	50.7 Å²	50.7	17%	0.167	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-104.6	0.1	178.9	-50.4	-56.4	0	0	0	113.4	V59 D61 F190 P191 Y195 L258 A322 K324	V59-F193 HydrophobicContact CB-CE1 4.22Å; V59-F193 HydrophobicContact CB-CZ 4.22Å; V59-F193 HydrophobicContact CG1-CE1 4.19Å; V59-F193 HydrophobicContact CG1-CZ 4.04Å; V59-F193 VanDerWaalsContact O-CZ 3.3Å; V59-F193 WeakPolarHBondContact O-CZ 3.43Å; D61-F193 HydrophobicContact CB-CD2 4.01Å; D61-F193 HydrophobicContact CB-CE2 3.44Å; D61-F193 VanDerWaalsContact CB-CE2 3.44Å; D61-F193 HydrophobicContact CB-CZ 4.13Å; F190-F193 HydrophobicContact CB-CD2 4.2Å; F190-F193 PolarHBondContact O-N 3.49Å; P191-F193 PolarHBondContact O-N 2.95Å; F193-Y195 PolarHBondContact O-N 3.26Å; F193-L258 HydrophobicContact CB-CD1 3.65Å; F193-L258 HydrophobicContact CD2-CD1 3.44Å; F193-L258 VanDerWaalsContact CD2-CD1 3.44Å; F193-L258 HydrophobicContact CE2-CD1 4.28Å; F193-L258 HydrophobicContact CG-CD1 3.67Å; F193-A322 HydrophobicContact CD2-CB 3.92Å; F193-A322 HydrophobicContact CE2-CB 3.88Å; F193-A322 WeakPolarHBondContact CE2-O 3.49Å; F193-K324 HydrophobicContact CD1-CB 3.79Å; F193-K324 HydrophobicContact CD1-CD 4.04Å; F193-K324 HydrophobicContact CE1-CB 3.65Å; F193-K324 HydrophobicContact CE2-CB 4.47Å; F193-K324 HydrophobicContact CG-CB 4.29Å; F193-K324 HydrophobicContact CG-CD 4.43Å; F193-K324 HydrophobicContact CZ-CB 4.01Å
194	N	95.9	Very high	94.7	Very high	115 Å²	115	50 Å²	50	62%	0.615	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.9	41.9	-170	-165.5	44.5	0	0	0	113	R189 F190 P191	R189-N194 PolarHBondContact NH2-OD1 3.41Å; R189-N194 VanDerWaalsContact NH2-OD1 3.14Å; F190-N194 PolarHBondContact O-N 3.23Å; P191-N194 PolarHBondContact O-N 3.06Å
195	Y	96.1	Very high	94.5	Very high	35 Å²	35	53.5 Å²	53.5	14%	0.137	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	135.3	-178.7	177	-89.9	0	0	0	109.9	R189 F190 F193 K197 L258 D262 C265	R189-Y195 CarbonylContact C-O 3.55Å; R189-Y195 VanDerWaalsContact CA-O 3.22Å; R189-Y195 WeakPolarHBondContact CA-O 3.35Å; F190-Y195 AromaticContact CD2-CD1 3.94Å; F190-Y195 HydrophobicContact CD2-CD1 3.94Å; F190-Y195 PolarHBondContact N-O 3.36Å; F190-Y195 PolarHBondContact O-N 3.14Å; F193-Y195 PolarHBondContact O-N 3.26Å; Y195-K197 HydrophobicContact CE1-CB 3.77Å; Y195-K197 HydrophobicContact CE1-CD 4.46Å; Y195-K197 WeakPolarHBondContact OH-CD 3.46Å; Y195-L258 HydrophobicContact CD1-CD2 4.04Å; Y195-L258 HydrophobicContact CD2-CD2 3.87Å; Y195-L258 HydrophobicContact CE1-CD2 4Å; Y195-L258 HydrophobicContact CE2-CD2 3.85Å; Y195-L258 HydrophobicContact CG-CD1 4.29Å; Y195-L258 HydrophobicContact CG-CD2 3.93Å; Y195-D262 WeakPolarHBondContact CE2-OD1 3.36Å; Y195-D262 PolarHBondContact OH-OD1 2.82Å; Y195-C265 WeakPolarHBondContact OH-CB 3.24Å; Y195-C265 PolarHBondContact OH-SG 3.36Å
196	T	95.5	Very high	94.2	Very high	88 Å²	88	54 Å²	54	54%	0.54	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	132.7	179.9	-61.4	0	0	0	0	110.2	I188	I188-T196 VanDerWaalsContact O-CA 3.29Å; I188-T196 WeakPolarHBondContact O-CA 3.27Å; I188-T196 WeakPolarHBondContact O-CG2 3.34Å
197	K	95.3	Very high	94	Very high	17 Å²	17	59.8 Å²	59.8	7%	0.074	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	168.2	176.3	-169.1	155	-179.5	161.7	0	109.9	I188 Y195 W254 D262 C265	I188-K197 HydrophobicContact CD1-CB 4.49Å; I188-K197 HydrophobicContact CG1-CB 4.36Å; I188-K197 WeakPolarHBondContact CG1-O 3.49Å; I188-K197 PolarHBondContact N-O 3.16Å; I188-K197 PolarHBondContact O-N 2.85Å; Y195-K197 HydrophobicContact CE1-CB 3.77Å; Y195-K197 HydrophobicContact CE1-CD 4.46Å; Y195-K197 WeakPolarHBondContact OH-CD 3.46Å; K197-W254 HydrophobicContact CD-CZ3 4.2Å; K197-W254 HydrophobicContact CG-CH2 4.19Å; K197-W254 HydrophobicContact CG-CZ3 4.06Å; K197-D262 VanDerWaalsContact NZ-C 3.34Å; K197-D262 PolarHBondContact NZ-O 3.36Å; K197-D262 IonicContact NZ-OD2 2.9Å; K197-D262 PolarHBondContact NZ-OD2 3.11Å; K197-C265 HydrophobicContact CD-CB 4.37Å; K197-C265 WeakPolarHBondContact CD-O 3.29Å; K197-C265 WeakPolarHBondContact CE-O 3.36Å; K197-C265 PolarHBondContact NZ-O 2.78Å; K197-C265 VanDerWaalsContact NZ-O 3.08Å
198	G	95.1	Very high	93.9	Very high	11 Å²	11	60.2 Å²	60.2	11%	0.113	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	168.6	174	0	0	0	0	0	110.9	N186 F200	N186-G198 WeakPolarHBondContact O-CA 3.48Å; G198-F200 VanDerWaalsContact C-N 3.26Å
199	N	93.9	Very high	93.7	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	34%	0.336	C	S	.	.	S	Bend	trans	-74.9	-21.1	173.5	73	-36.7	0	0	0	112.2	I184 N186 L201 W254 P267 Y269	I184-N199 PolarHBondContact O-ND2 3.3Å; N186-N199 PolarHBondContact N-OD1 2.79Å; N186-N199 PolarHBondContact O-N 3.15Å; N186-N199 VanDerWaalsContact O-N 3.15Å; N186-N199 PolarHBondContact O-OD1 3.03Å; N199-L201 PolarHBondContact O-N 2.89Å; N199-W254 HydrophobicContact CB-CZ2 4.42Å; N199-P267 HydrophobicContact CB-CG 4.31Å; N199-Y269 WeakPolarHBondContact CB-OH 3.16Å; N199-Y269 PolarHBondContact ND2-OH 3.33Å; N199-Y269 VanDerWaalsContact ND2-OH 3.13Å
200	F	92.4	Very high	93.4	Very high	75 Å²	75	64.8 Å²	64.8	33%	0.329	35%	0.352	S	S	.	.	S	Bend	trans	-92.1	89.9	175.8	-162	-93.3	0	0	0	110.1	F183 K185 G198 I204 I209 P223	F183-F200 HydrophobicContact CE2-CD2 4.25Å; F183-F200 HydrophobicContact CE2-CE2 4.14Å; F183-F200 HydrophobicContact CZ-CD2 4.21Å; F183-F200 HydrophobicContact CZ-CE2 4.25Å; K185-F200 HydrophobicContact CG-CB 4.24Å; G198-F200 VanDerWaalsContact C-N 3.26Å; F200-I204 HydrophobicContact CD2-CD1 4.15Å; F200-I204 HydrophobicContact CE2-CD1 4.42Å; F200-I204 HydrophobicContact CE2-CG2 3.93Å; F200-I204 HydrophobicContact CG-CD1 4.42Å; F200-I204 HydrophobicContact CZ-CB 4.39Å; F200-I204 HydrophobicContact CZ-CG2 3.86Å; F200-I209 HydrophobicContact CE2-CD1 3.8Å; F200-I209 HydrophobicContact CE2-CG1 4.19Å; F200-P223 HydrophobicContact CD2-CB 4.4Å; F200-P223 HydrophobicContact CD2-CG 3.97Å; F200-P223 HydrophobicContact CE2-CG 4.19Å
201	L	90.2	Very high	93.2	Very high	37 Å²	37	70.4 Å²	70.4	19%	0.194	39%	0.386	C	S	.	.			trans	-68.6	149.2	-177.1	-59.6	176.7	0	0	0	112	N199 S203 I204 Y221	N199-L201 PolarHBondContact O-N 2.89Å; L201-S203 PolarHBondContact O-N 3.22Å; L201-I204 HydrophobicContact CB-CD1 4.23Å; L201-I204 HydrophobicContact CB-CG1 4.17Å; L201-I204 WeakPolarHBondContact O-CB 3.36Å; L201-I204 PolarHBondContact O-N 3.17Å; L201-Y221 HydrophobicContact CD1-CD1 3.73Å; L201-Y221 HydrophobicContact CD1-CD2 3.95Å; L201-Y221 HydrophobicContact CD1-CE1 3.87Å; L201-Y221 HydrophobicContact CD1-CE2 4.09Å; L201-Y221 HydrophobicContact CD1-CG 3.77Å; L201-Y221 HydrophobicContact CD2-CD1 4.23Å; L201-Y221 HydrophobicContact CD2-CE1 3.95Å; L201-Y221 HydrophobicContact CG-CD1 3.8Å; L201-Y221 HydrophobicContact CG-CE1 4Å; L201-Y221 HydrophobicContact CG-CG 4.27Å
202	P	87.9	Confident	93.1	Very high	140 Å²	140	69 Å²	69	91%	0.909	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-23.3	176.3	-23.5	34	0	0	0	114.6	I204	P202-I204 VanDerWaalsContact C-N 3.28Å; P202-I204 PolarHBondContact O-N 3.2Å
203	S	88.4	Confident	93	Very high	96 Å²	96	68 Å²	68	67%	0.671	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-7.3	179.2	52.3	0	0	0	0	114.1	L201 T205	L201-S203 PolarHBondContact O-N 3.22Å; S203-T205 PolarHBondContact O-N 3.01Å
204	I	90.6	Very high	93	Very high	30 Å²	30	66.9 Å²	66.9	15%	0.154	36%	0.363	C	S	.	.			trans	-70.8	124.8	-177.8	-72.4	176.5	0	0	0	110.8	F200 L201 P202 Y208 I209	F200-I204 HydrophobicContact CD2-CD1 4.15Å; F200-I204 HydrophobicContact CE2-CD1 4.42Å; F200-I204 HydrophobicContact CE2-CG2 3.93Å; F200-I204 HydrophobicContact CG-CD1 4.42Å; F200-I204 HydrophobicContact CZ-CB 4.39Å; F200-I204 HydrophobicContact CZ-CG2 3.86Å; L201-I204 HydrophobicContact CB-CD1 4.23Å; L201-I204 HydrophobicContact CB-CG1 4.17Å; L201-I204 WeakPolarHBondContact O-CB 3.36Å; L201-I204 PolarHBondContact O-N 3.17Å; P202-I204 VanDerWaalsContact C-N 3.28Å; P202-I204 PolarHBondContact O-N 3.2Å; I204-Y208 HydrophobicContact CD1-CE1 4.36Å; I204-Y208 HydrophobicContact CG1-CD1 4.48Å; I204-Y208 HydrophobicContact CG1-CE1 4.29Å; I204-Y208 HydrophobicContact CG2-CD1 3.75Å; I204-Y208 HydrophobicContact CG2-CE1 4.18Å; I204-I209 HydrophobicContact CG2-CD1 3.68Å; I204-I209 HydrophobicContact CG2-CG1 3.55Å
205	T	93	Very high	92.9	Very high	74 Å²	74	64.5 Å²	64.5	45%	0.454	35%	0.351	S	S	.	.			trans	-95	163.2	178.5	66.1	0	0	0	0	112.7	S203 E207 Y208 I209	S203-T205 PolarHBondContact O-N 3.01Å; T205-E207 VanDerWaalsContact C-N 3.33Å; T205-Y208 PolarHBondContact O-N 2.77Å; T205-Y208 PolarHBondContact OG1-N 3.27Å; T205-I209 PolarHBondContact O-N 2.99Å
206	N	91.4	Very high	92.6	Very high	99 Å²	99	69.4 Å²	69.4	53%	0.529	37%	0.373	S	S	.	.	H	α-helix	trans	-69	-32.8	178.3	-167.8	34.7	0	0	0	112.1	I209 K210	N206-I209 PolarHBondContact O-N 3.22Å; N206-K210 WeakPolarHBondContact O-CG 3.38Å; N206-K210 PolarHBondContact O-N 3.05Å
207	E	92.8	Very high	92.2	Very high	123 Å²	123	73.7 Å²	73.7	58%	0.575	39%	0.387	S	S	*	.	H	α-helix	trans	-62	-45.6	175.2	-66.5	68	-143.6	0	0	110.7	T205 I209 K210 T211	T205-E207 VanDerWaalsContact C-N 3.33Å; E207-I209 PolarHBondContact O-N 2.91Å; E207-K210 PolarHBondContact O-N 2.92Å; E207-T211 PolarHBondContact O-OG1 3.18Å
208	Y	93.2	Very high	92	Very high	58 Å²	58	81.6 Å²	81.6	23%	0.227	42%	0.421	C	S	.	.	H	α-helix	trans	-60	-45.7	177.3	168.5	-94.4	0	0	0	111.8	I204 T205 K210 T211 C212 D219 C222	I204-Y208 HydrophobicContact CD1-CE1 4.36Å; I204-Y208 HydrophobicContact CG1-CD1 4.48Å; I204-Y208 HydrophobicContact CG1-CE1 4.29Å; I204-Y208 HydrophobicContact CG2-CD1 3.75Å; I204-Y208 HydrophobicContact CG2-CE1 4.18Å; T205-Y208 PolarHBondContact O-N 2.77Å; T205-Y208 PolarHBondContact OG1-N 3.27Å; Y208-K210 PolarHBondContact O-N 2.84Å; Y208-T211 PolarHBondContact O-N 2.91Å; Y208-T211 VanDerWaalsContact O-N 3.09Å; Y208-T211 PolarHBondContact O-OG1 2.93Å; Y208-C212 HydrophobicContact CD1-CB 4.25Å; Y208-C212 HydrophobicContact CD2-CB 4.07Å; Y208-C212 HydrophobicContact CE1-CB 3.95Å; Y208-C212 HydrophobicContact CE2-CB 3.7Å; Y208-C212 HydrophobicContact CG-CB 4.35Å; Y208-C212 VanDerWaalsContact O-CB 3.3Å; Y208-C212 WeakPolarHBondContact O-CB 3.48Å; Y208-C212 PolarHBondContact O-N 2.86Å; Y208-D219 VanDerWaalsContact CE2-OD2 3.26Å; Y208-D219 WeakPolarHBondContact CE2-OD2 3.13Å; Y208-D219 PolarHBondContact OH-OD1 2.93Å; Y208-D219 PolarHBondContact OH-OD2 2.85Å; Y208-C222 WeakPolarHBondContact OH-CA 3.34Å; Y208-C222 VanDerWaalsContact OH-CB 3.31Å; Y208-C222 WeakPolarHBondContact OH-CB 3.19Å; Y208-C222 PolarHBondContact OH-N 3.13Å
209	I	93.5	Very high	91.8	Very high	35 Å²	35	82.9 Å²	82.9	18%	0.179	43%	0.426	C	S	.	.	H	α-helix	trans	-63.5	-25.1	179.9	-70.1	-60.6	0	0	0	113.1	F200 I204 T205 N206 E207 T211 P223 I224	F200-I209 HydrophobicContact CE2-CD1 3.8Å; F200-I209 HydrophobicContact CE2-CG1 4.19Å; I204-I209 HydrophobicContact CG2-CD1 3.68Å; I204-I209 HydrophobicContact CG2-CG1 3.55Å; T205-I209 PolarHBondContact O-N 2.99Å; N206-I209 PolarHBondContact O-N 3.22Å; E207-I209 PolarHBondContact O-N 2.91Å; I209-T211 VanDerWaalsContact C-N 3.34Å; I209-P223 HydrophobicContact CD1-CG 3.55Å; I209-I224 HydrophobicContact CG2-CD1 4.12Å; I209-I224 WeakPolarHBondContact O-CD1 3.39Å
210	K	90.9	Very high	91.8	Very high	154 Å²	154	84.9 Å²	84.9	67%	0.67	44%	0.436	S	S	*	.	H	α-helix	trans	-75	-25.6	176.9	-71.1	170.7	-175.2	175.4	0	113	N206 E207 Y208	N206-K210 WeakPolarHBondContact O-CG 3.38Å; N206-K210 PolarHBondContact O-N 3.05Å; E207-K210 PolarHBondContact O-N 2.92Å; Y208-K210 PolarHBondContact O-N 2.84Å
211	T	92.3	Very high	91.8	Very high	119 Å²	119	83.2 Å²	83.2	73%	0.73	43%	0.428	S	S	*	.	H	α-helix	trans	-116	-21.1	-171.1	56.5	0	0	0	0	114.1	E207 Y208 I209	E207-T211 PolarHBondContact O-OG1 3.18Å; Y208-T211 PolarHBondContact O-N 2.91Å; Y208-T211 VanDerWaalsContact O-N 3.09Å; Y208-T211 PolarHBondContact O-OG1 2.93Å; I209-T211 VanDerWaalsContact C-N 3.34Å
212	C	94.8	Very high	92.1	Very high	15 Å²	15	81.5 Å²	81.5	10%	0.101	42%	0.418	C	S	.	.			trans	-68.7	143.8	-175.5	87.9	0	0	0	0	111	Y208 C222	Y208-C212 HydrophobicContact CD1-CB 4.25Å; Y208-C212 HydrophobicContact CD2-CB 4.07Å; Y208-C212 HydrophobicContact CE1-CB 3.95Å; Y208-C212 HydrophobicContact CE2-CB 3.7Å; Y208-C212 HydrophobicContact CG-CB 4.35Å; Y208-C212 VanDerWaalsContact O-CB 3.3Å; Y208-C212 WeakPolarHBondContact O-CB 3.48Å; Y208-C212 PolarHBondContact O-N 2.86Å; C212-C222 HydrophobicContact CB-CB 3.71Å; C212-C222 WeakPolarHBondContact CB-SG 3.43Å; C212-C222 PolarHBondContact O-SG 3.05Å; C212-C222 WeakPolarHBondContact SG-CB 3.32Å; C212-C222 CovalentContact SG-SG 2.05Å; C212-C222 PolarHBondContact SG-SG 3.21Å
213	N	94.7	Very high	92.5	Very high	69 Å²	69	74.8 Å²	74.8	37%	0.369	38%	0.375	S	S	.	.			trans	-131.4	135	164.5	-176.7	33.4	0	0	0	107.1	N215 C222 I224 D229	N213-N215 PolarHBondContact O-N 3.22Å; N213-C222 VanDerWaalsContact C-SG 3.57Å; N213-C222 PolarHBondContact N-SG 2.99Å; N213-C222 VanDerWaalsContact N-SG 3.44Å; N213-I224 PolarHBondContact OD1-O 3.16Å; N213-D229 PolarHBondContact ND2-OD2 2.91Å
214	F	95.9	Very high	92.9	Very high	14 Å²	14	71.5 Å²	71.5	6%	0.061	35%	0.35	C	S	.	.			trans	-54.6	132.3	-177.3	171	-98.2	0	0	0	111.8	K216 I224 F225 Y269 F271	F214-K216 HydrophobicContact CZ-CB 4.47Å; F214-I224 VanDerWaalsContact CB-O 3.24Å; F214-I224 WeakPolarHBondContact CB-O 3.34Å; F214-I224 PolarHBondContact N-O 3.15Å; F214-F225 HydrophobicContact CB-CD1 3.61Å; F214-F225 HydrophobicContact CB-CE1 3.75Å; F214-F225 HydrophobicContact CB-CG 4.07Å; F214-F225 HydrophobicContact CB-CZ 4.27Å; F214-F225 AromaticContact CD1-CD1 3.46Å; F214-F225 HydrophobicContact CD1-CD1 3.46Å; F214-F225 VanDerWaalsContact CD1-CD1 3.46Å; F214-F225 AromaticContact CD1-CE1 3.42Å; F214-F225 HydrophobicContact CD1-CE1 3.42Å; F214-F225 VanDerWaalsContact CD1-CE1 3.42Å; F214-F225 HydrophobicContact CD2-CD1 4.08Å; F214-F225 AromaticContact CD2-CE1 3.33Å; F214-F225 HydrophobicContact CD2-CE1 3.33Å; F214-F225 AromaticContact CD2-CZ 3.69Å; F214-F225 HydrophobicContact CD2-CZ 3.69Å; F214-F225 HydrophobicContact CE1-CD1 4.16Å; F214-F225 AromaticContact CE1-CE1 3.81Å; F214-F225 HydrophobicContact CE1-CE1 3.81Å; F214-F225 AromaticContact CE2-CE1 3.72Å; F214-F225 HydrophobicContact CE2-CE1 3.72Å; F214-F225 HydrophobicContact CE2-CZ 4.18Å; F214-F225 AromaticContact CG-CD1 3.41Å; F214-F225 HydrophobicContact CG-CD1 3.41Å; F214-F225 VanDerWaalsContact CG-CD1 3.41Å; F214-F225 AromaticContact CG-CE1 3.16Å; F214-F225 HydrophobicContact CG-CE1 3.16Å; F214-F225 HydrophobicContact CG-CG 4.33Å; F214-F225 AromaticContact CG-CZ 3.89Å; F214-F225 HydrophobicContact CG-CZ 3.89Å; F214-F225 AromaticContact CZ-CE1 3.95Å; F214-F225 HydrophobicContact CZ-CE1 3.95Å; F214-Y269 HydrophobicContact CD2-CD2 4.49Å; F214-Y269 AromaticContact CE2-CD2 3.44Å; F214-Y269 HydrophobicContact CE2-CD2 3.44Å; F214-Y269 VanDerWaalsContact CE2-CD2 3.44Å; F214-Y269 AromaticContact CE2-CE2 3.88Å; F214-Y269 HydrophobicContact CE2-CE2 3.88Å; F214-Y269 AromaticContact CE2-CG 3.92Å; F214-Y269 HydrophobicContact CE2-CG 3.92Å; F214-Y269 AromaticContact CZ-CD2 3.77Å; F214-Y269 HydrophobicContact CZ-CD2 3.77Å; F214-Y269 AromaticContact CZ-CG 3.87Å; F214-Y269 HydrophobicContact CZ-CG 3.87Å; F214-F271 HydrophobicContact CD1-CZ 4.31Å; F214-F271 AromaticContact CE1-CE2 3.88Å; F214-F271 HydrophobicContact CE1-CE2 3.88Å; F214-F271 AromaticContact CE1-CZ 3.76Å; F214-F271 HydrophobicContact CE1-CZ 3.76Å; F214-F271 HydrophobicContact CZ-CZ 4.39Å
215	N	93.1	Very high	93.2	Very high	66 Å²	66	70.2 Å²	70.2	35%	0.353	34%	0.343	S	S	.	.	B	Isolated β-bridge	trans	-144.1	128.7	172.1	-173.8	-74.7	0	0	0	110.5	N213 E217 K218 D219 I220	N213-N215 PolarHBondContact O-N 3.22Å; N215-E217 PolarHBondContact O-N 2.84Å; N215-E217 VanDerWaalsContact O-N 3.15Å; N215-E217 PolarHBondContact OD1-N 3.08Å; N215-K218 HydrophobicContact CB-CB 4.23Å; N215-K218 PolarHBondContact OD1-N 3Å; N215-D219 PolarHBondContact N-O 3.42Å; N215-D219 VanDerWaalsContact N-O 3.17Å; N215-D219 CarbonylContact O-C 3.55Å; N215-D219 PolarHBondContact O-N 2.85Å; N215-D219 VanDerWaalsContact O-O 3.08Å; N215-I220 PolarHBondContact O-N 3.01Å
216	K	88.8	Confident	93.4	Very high	138 Å²	138	69.6 Å²	69.6	60%	0.6	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-27.2	-174.8	-168.4	176.2	-178.8	-179.9	0	114.4	F214 I220	F214-K216 HydrophobicContact CZ-CB 4.47Å; K216-I220 WeakPolarHBondContact O-CG2 3.45Å
217	E	88.4	Confident	93.7	Very high	177 Å²	177	64.9 Å²	64.9	83%	0.827	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.7	-43.3	-177.5	-63.8	178.7	179.9	0	0	112.2	N215	N215-E217 PolarHBondContact O-N 2.84Å; N215-E217 VanDerWaalsContact O-N 3.15Å; N215-E217 PolarHBondContact OD1-N 3.08Å
218	K	90.3	Very high	93.9	Very high	184 Å²	184	59.4 Å²	59.4	80%	0.8	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-36.9	-171.4	-63	-177.9	-179.6	179.4	0	113.5	N215	N215-K218 HydrophobicContact CB-CB 4.23Å; N215-K218 PolarHBondContact OD1-N 3Å
219	D	91	Very high	94	Very high	38 Å²	38	59.2 Å²	59.2	20%	0.203	29%	0.288	C	S	.	.	B	Isolated β-bridge	trans	-150.4	77.1	-168.9	-164.4	-2.4	0	0	0	111.8	Y208 N215 Y221 C222	Y208-D219 VanDerWaalsContact CE2-OD2 3.26Å; Y208-D219 WeakPolarHBondContact CE2-OD2 3.13Å; Y208-D219 PolarHBondContact OH-OD1 2.93Å; Y208-D219 PolarHBondContact OH-OD2 2.85Å; N215-D219 PolarHBondContact N-O 3.42Å; N215-D219 VanDerWaalsContact N-O 3.17Å; N215-D219 CarbonylContact O-C 3.55Å; N215-D219 PolarHBondContact O-N 2.85Å; N215-D219 VanDerWaalsContact O-O 3.08Å; D219-Y221 VanDerWaalsContact C-N 3.32Å; D219-C222 PolarHBondContact OD1-N 2.89Å
220	I	93.4	Very high	94.2	Very high	42 Å²	42	57.6 Å²	57.6	22%	0.215	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-21.3	-176.1	65.8	172.1	0	0	0	113.5	N215 K216 K266 Y269	N215-I220 PolarHBondContact O-N 3.01Å; K216-I220 WeakPolarHBondContact O-CG2 3.45Å; I220-K266 HydrophobicContact CD1-CB 3.84Å; I220-K266 HydrophobicContact CD1-CD 4.12Å; I220-Y269 WeakPolarHBondContact O-CE2 3.43Å
221	Y	92.9	Very high	94.4	Very high	40 Å²	40	50.4 Å²	50.4	16%	0.157	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-7	-176.4	-73.1	-72.6	0	0	0	112.7	L201 D219 P223 P267	L201-Y221 HydrophobicContact CD1-CD1 3.73Å; L201-Y221 HydrophobicContact CD1-CD2 3.95Å; L201-Y221 HydrophobicContact CD1-CE1 3.87Å; L201-Y221 HydrophobicContact CD1-CE2 4.09Å; L201-Y221 HydrophobicContact CD1-CG 3.77Å; L201-Y221 HydrophobicContact CD2-CD1 4.23Å; L201-Y221 HydrophobicContact CD2-CE1 3.95Å; L201-Y221 HydrophobicContact CG-CD1 3.8Å; L201-Y221 HydrophobicContact CG-CE1 4Å; L201-Y221 HydrophobicContact CG-CG 4.27Å; D219-Y221 VanDerWaalsContact C-N 3.32Å; Y221-P223 VanDerWaalsContact O-CD 3.24Å; Y221-P223 WeakPolarHBondContact O-CD 3.33Å; Y221-P267 HydrophobicContact CD1-CG 4.47Å; Y221-P267 HydrophobicContact CE1-CG 4.25Å
222	C	95.9	Very high	94.6	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	25%	0.247	C	C	.	.			trans	-64.1	119.2	174.4	179	0	0	0	0	109.7	Y208 C212 N213 D219 I224	Y208-C222 WeakPolarHBondContact OH-CA 3.34Å; Y208-C222 VanDerWaalsContact OH-CB 3.31Å; Y208-C222 WeakPolarHBondContact OH-CB 3.19Å; Y208-C222 PolarHBondContact OH-N 3.13Å; C212-C222 HydrophobicContact CB-CB 3.71Å; C212-C222 WeakPolarHBondContact CB-SG 3.43Å; C212-C222 PolarHBondContact O-SG 3.05Å; C212-C222 WeakPolarHBondContact SG-CB 3.32Å; C212-C222 CovalentContact SG-SG 2.05Å; C212-C222 PolarHBondContact SG-SG 3.21Å; N213-C222 VanDerWaalsContact C-SG 3.57Å; N213-C222 PolarHBondContact N-SG 2.99Å; N213-C222 VanDerWaalsContact N-SG 3.44Å; D219-C222 PolarHBondContact OD1-N 2.89Å; C222-I224 PolarHBondContact O-N 3.2Å
223	P	95.9	Very high	94.6	Very high	0 Å²	0	56 Å²	56	0%	0	27%	0.265	C	S	.	.			trans	-82.7	2.4	-176.3	35.4	-37.9	0	0	0	112.9	F183 I184 F200 I209 Y221 F225	F183-P223 CarbonylContact C-O 3.59Å; F183-P223 VanDerWaalsContact CA-O 3.29Å; F183-P223 WeakPolarHBondContact CA-O 3.27Å; F183-P223 HydrophobicContact CD2-CB 3.89Å; F183-P223 HydrophobicContact CD2-CG 3.79Å; F183-P223 HydrophobicContact CE2-CB 3.68Å; F183-P223 HydrophobicContact CE2-CG 3.44Å; F183-P223 VanDerWaalsContact CE2-CG 3.44Å; F183-P223 HydrophobicContact CZ-CB 4.49Å; F183-P223 HydrophobicContact CZ-CG 4.5Å; I184-P223 PolarHBondContact N-O 2.81Å; I184-P223 VanDerWaalsContact O-CB 3.29Å; I184-P223 WeakPolarHBondContact O-CB 3.39Å; F200-P223 HydrophobicContact CD2-CB 4.4Å; F200-P223 HydrophobicContact CD2-CG 3.97Å; F200-P223 HydrophobicContact CE2-CG 4.19Å; I209-P223 HydrophobicContact CD1-CG 3.55Å; Y221-P223 VanDerWaalsContact O-CD 3.24Å; Y221-P223 WeakPolarHBondContact O-CD 3.33Å; P223-F225 WeakPolarHBondContact O-CD2 3.37Å; P223-F225 WeakPolarHBondContact O-CE2 3.37Å
224	I	96.9	Very high	94.6	Very high	27 Å²	27	53.2 Å²	53.2	14%	0.138	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	117.8	-175.6	-61.1	173.8	0	0	0	109.2	T181 F183 I209 N213 F214 C222	T181-I224 HydrophobicContact CG2-CG2 3.97Å; F183-I224 HydrophobicContact CD2-CG1 4.21Å; I209-I224 HydrophobicContact CG2-CD1 4.12Å; I209-I224 WeakPolarHBondContact O-CD1 3.39Å; N213-I224 PolarHBondContact OD1-O 3.16Å; F214-I224 VanDerWaalsContact CB-O 3.24Å; F214-I224 WeakPolarHBondContact CB-O 3.34Å; F214-I224 PolarHBondContact N-O 3.15Å; C222-I224 PolarHBondContact O-N 3.2Å
225	F	97.6	Very high	94.5	Very high	2 Å²	2	61 Å²	61	1%	0.009	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	126.9	-177.9	-59.4	-101.6	0	0	0	109.8	T181 I182 I184 F214 P223 I230 Y269 F271	T181-F225 CarbonylContact C-O 3.48Å; T181-F225 WeakPolarHBondContact CA-O 3.35Å; I182-F225 PolarHBondContact N-O 3.42Å; I182-F225 PolarHBondContact O-N 2.81Å; I184-F225 HydrophobicContact CB-CD2 4.35Å; I184-F225 HydrophobicContact CB-CE2 3.99Å; I184-F225 HydrophobicContact CD1-CD2 3.8Å; I184-F225 HydrophobicContact CD1-CE2 3.87Å; I184-F225 HydrophobicContact CD1-CG 4.43Å; I184-F225 HydrophobicContact CG1-CD2 3.9Å; I184-F225 HydrophobicContact CG1-CE2 4Å; F214-F225 HydrophobicContact CB-CD1 3.61Å; F214-F225 HydrophobicContact CB-CE1 3.75Å; F214-F225 HydrophobicContact CB-CG 4.07Å; F214-F225 HydrophobicContact CB-CZ 4.27Å; F214-F225 AromaticContact CD1-CD1 3.46Å; F214-F225 HydrophobicContact CD1-CD1 3.46Å; F214-F225 VanDerWaalsContact CD1-CD1 3.46Å; F214-F225 AromaticContact CD1-CE1 3.42Å; F214-F225 HydrophobicContact CD1-CE1 3.42Å; F214-F225 VanDerWaalsContact CD1-CE1 3.42Å; F214-F225 HydrophobicContact CD2-CD1 4.08Å; F214-F225 AromaticContact CD2-CE1 3.33Å; F214-F225 HydrophobicContact CD2-CE1 3.33Å; F214-F225 AromaticContact CD2-CZ 3.69Å; F214-F225 HydrophobicContact CD2-CZ 3.69Å; F214-F225 HydrophobicContact CE1-CD1 4.16Å; F214-F225 AromaticContact CE1-CE1 3.81Å; F214-F225 HydrophobicContact CE1-CE1 3.81Å; F214-F225 AromaticContact CE2-CE1 3.72Å; F214-F225 HydrophobicContact CE2-CE1 3.72Å; F214-F225 HydrophobicContact CE2-CZ 4.18Å; F214-F225 AromaticContact CG-CD1 3.41Å; F214-F225 HydrophobicContact CG-CD1 3.41Å; F214-F225 VanDerWaalsContact CG-CD1 3.41Å; F214-F225 AromaticContact CG-CE1 3.16Å; F214-F225 HydrophobicContact CG-CE1 3.16Å; F214-F225 HydrophobicContact CG-CG 4.33Å; F214-F225 AromaticContact CG-CZ 3.89Å; F214-F225 HydrophobicContact CG-CZ 3.89Å; F214-F225 AromaticContact CZ-CE1 3.95Å; F214-F225 HydrophobicContact CZ-CE1 3.95Å; P223-F225 WeakPolarHBondContact O-CD2 3.37Å; P223-F225 WeakPolarHBondContact O-CE2 3.37Å; F225-I230 HydrophobicContact CB-CD1 3.63Å; F225-I230 HydrophobicContact CB-CG1 4.06Å; F225-I230 HydrophobicContact CG-CD1 4.47Å; F225-Y269 HydrophobicContact CE1-CD1 4.05Å; F225-Y269 HydrophobicContact CE1-CE1 4.16Å; F225-Y269 HydrophobicContact CE1-CG 4.41Å; F225-Y269 AromaticContact CZ-CD1 3.95Å; F225-Y269 HydrophobicContact CZ-CD1 3.95Å; F225-Y269 AromaticContact CZ-CE1 3.58Å; F225-Y269 HydrophobicContact CZ-CE1 3.58Å; F225-Y269 HydrophobicContact CZ-CE2 4.48Å; F225-Y269 AromaticContact CZ-CZ 3.89Å; F225-F271 HydrophobicContact CD1-CE1 4.26Å; F225-F271 HydrophobicContact CD1-CZ 4.01Å; F225-F271 HydrophobicContact CE1-CE1 4.47Å; F225-F271 HydrophobicContact CE1-CZ 4.04Å
226	K	97.2	Very high	94.5	Very high	62 Å²	62	59.9 Å²	59.9	27%	0.27	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	136	170.3	-165.6	179.9	-178.1	-174.1	0	110.4	N179 F180 G228 D229 I230	N179-K226 WeakPolarHBondContact OD1-CE 3.06Å; N179-K226 PolarHBondContact OD1-NZ 2.97Å; F180-K226 WeakPolarHBondContact O-CA 3.3Å; K226-G228 PolarHBondContact O-N 3.49Å; K226-D229 HydrophobicContact CB-CB 4.14Å; K226-D229 WeakPolarHBondContact CB-OD2 3.5Å; K226-D229 PolarHBondContact O-N 3.4Å; K226-I230 PolarHBondContact O-N 3.19Å; K226-I230 VanDerWaalsContact O-N 3.08Å
227	V	97.6	Very high	94.7	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-58.5	-46.8	-179.5	170.8	0	0	0	0	111.3	I100 V177 F180 I182 D229 I230 L231 F314	I100-V227 HydrophobicContact CD1-CG2 3.97Å; V177-V227 HydrophobicContact CG1-CG1 4.23Å; V177-V227 WeakPolarHBondContact O-CB 3.34Å; F180-V227 HydrophobicContact CB-CG2 3.98Å; F180-V227 PolarHBondContact O-N 3.36Å; I182-V227 HydrophobicContact CD1-CG2 3.76Å; I182-V227 HydrophobicContact CG1-CG2 4.04Å; V227-D229 VanDerWaalsContact C-N 3.3Å; V227-D229 PolarHBondContact O-N 2.99Å; V227-I230 WeakPolarHBondContact O-CB 3.28Å; V227-I230 PolarHBondContact O-N 3.35Å; V227-L231 HydrophobicContact CG1-CD1 4.05Å; V227-L231 HydrophobicContact CG1-CG 4.41Å; V227-L231 WeakPolarHBondContact O-CG 3.43Å; V227-L231 PolarHBondContact O-N 3.02Å; V227-F314 HydrophobicContact CG1-CZ 4.1Å
228	G	96.6	Very high	95	Very high	7 Å²	7	49.5 Å²	49.5	7%	0.072	24%	0.237	C	C	.	.	H	α-helix	trans	-58.1	-39.3	176.6	0	0	0	0	0	113.6	E178 K226 L231 K232	E178-G228 PolarHBondContact O-N 3.27Å; K226-G228 PolarHBondContact O-N 3.49Å; G228-L231 PolarHBondContact O-N 3.3Å; G228-K232 WeakPolarHBondContact O-CB 3.42Å; G228-K232 PolarHBondContact O-N 3.03Å
229	D	96.1	Very high	95.1	Very high	54 Å²	54	45 Å²	45	29%	0.289	23%	0.225	S	C	.	.	H	α-helix	trans	-67.9	-39.3	178.7	-66	-19.4	0	0	0	111.4	N213 K226 V227 N233	N213-D229 PolarHBondContact ND2-OD2 2.91Å; K226-D229 HydrophobicContact CB-CB 4.14Å; K226-D229 WeakPolarHBondContact CB-OD2 3.5Å; K226-D229 PolarHBondContact O-N 3.4Å; V227-D229 VanDerWaalsContact C-N 3.3Å; V227-D229 PolarHBondContact O-N 2.99Å; D229-N233 WeakPolarHBondContact O-CB 3.21Å; D229-N233 PolarHBondContact O-N 3.19Å; D229-N233 PolarHBondContact O-ND2 3.2Å; D229-N233 VanDerWaalsContact O-ND2 3.09Å
230	I	97.1	Very high	95.1	Very high	2 Å²	2	49.4 Å²	49.4	1%	0.01	24%	0.244	C	C	.	.	H	α-helix	trans	-59.5	-49.5	173.7	-69.6	162.9	0	0	0	110.4	I182 F225 K226 V227 N233 A234 I248 I250 F271 F314	I182-I230 HydrophobicContact CD1-CD1 3.78Å; F225-I230 HydrophobicContact CB-CD1 3.63Å; F225-I230 HydrophobicContact CB-CG1 4.06Å; F225-I230 HydrophobicContact CG-CD1 4.47Å; K226-I230 PolarHBondContact O-N 3.19Å; K226-I230 VanDerWaalsContact O-N 3.08Å; V227-I230 WeakPolarHBondContact O-CB 3.28Å; V227-I230 PolarHBondContact O-N 3.35Å; I230-N233 PolarHBondContact O-N 3.02Å; I230-A234 WeakPolarHBondContact O-CB 3.32Å; I230-A234 PolarHBondContact O-N 2.94Å; I230-I248 HydrophobicContact CG2-CG2 3.81Å; I230-I250 HydrophobicContact CD1-CD1 3.95Å; I230-F271 HydrophobicContact CB-CD1 4.27Å; I230-F271 HydrophobicContact CB-CE1 4.44Å; I230-F271 HydrophobicContact CG1-CD1 4.11Å; I230-F271 HydrophobicContact CG1-CE1 3.8Å; I230-F271 HydrophobicContact CG1-CZ 4.45Å; I230-F271 HydrophobicContact CG2-CD1 3.67Å; I230-F271 HydrophobicContact CG2-CE1 4.24Å; I230-F271 HydrophobicContact CG2-CG 4.3Å; I230-F314 HydrophobicContact CD1-CE1 4.49Å; I230-F314 HydrophobicContact CG2-CE1 4.02Å
231	L	96	Very high	95.1	Very high	2 Å²	2	47.5 Å²	47.5	1%	0.01	24%	0.235	C	C	.	.	H	α-helix	trans	-66.4	-39.4	-177.2	-64.6	179.2	0	0	0	112	V227 G228 A234 E235 Q236 F238 L241 I248 I312	V227-L231 HydrophobicContact CG1-CD1 4.05Å; V227-L231 HydrophobicContact CG1-CG 4.41Å; V227-L231 WeakPolarHBondContact O-CG 3.43Å; V227-L231 PolarHBondContact O-N 3.02Å; G228-L231 PolarHBondContact O-N 3.3Å; L231-A234 CarbonylContact O-C 3.59Å; L231-A234 PolarHBondContact O-N 2.93Å; L231-E235 PolarHBondContact O-N 3.14Å; L231-Q236 PolarHBondContact O-N 2.94Å; L231-F238 HydrophobicContact CD1-CB 4.06Å; L231-F238 HydrophobicContact CD1-CD2 3.6Å; L231-F238 HydrophobicContact CD1-CG 4.32Å; L231-L241 HydrophobicContact CD1-CD2 4.35Å; L231-L241 HydrophobicContact CD2-CD2 3.53Å; L231-I248 HydrophobicContact CD2-CD1 3.83Å; L231-I248 HydrophobicContact CD2-CG1 3.67Å; L231-I312 HydrophobicContact CD1-CD1 4.13Å
232	K	95.3	Very high	95.1	Very high	163 Å²	163	45.6 Å²	45.6	71%	0.709	23%	0.227	S	C	*	.	H	α-helix	trans	-62.3	-43.3	174.5	-173.4	178.3	-179.9	-179.5	0	111.8	G228 A234 E235	G228-K232 WeakPolarHBondContact O-CB 3.42Å; G228-K232 PolarHBondContact O-N 3.03Å; K232-A234 VanDerWaalsContact C-N 3.25Å; K232-A234 PolarHBondContact O-N 3.25Å; K232-E235 PolarHBondContact O-N 2.95Å
233	N	94.8	Very high	94.9	Very high	89 Å²	89	48.4 Å²	48.4	48%	0.476	24%	0.242	S	C	.	.	H	α-helix	trans	-69.6	-21.9	176.5	-70.1	-31	0	0	0	113.3	D229 I230 E235 F271	D229-N233 WeakPolarHBondContact O-CB 3.21Å; D229-N233 PolarHBondContact O-N 3.19Å; D229-N233 PolarHBondContact O-ND2 3.2Å; D229-N233 VanDerWaalsContact O-ND2 3.09Å; I230-N233 PolarHBondContact O-N 3.02Å; N233-E235 VanDerWaalsContact C-N 3.29Å; N233-F271 HydrophobicContact CB-CB 4.3Å; N233-F271 HydrophobicContact CB-CD2 3.54Å; N233-F271 HydrophobicContact CB-CE2 4.21Å; N233-F271 HydrophobicContact CB-CG 4.19Å
234	A	94.8	Very high	94.7	Very high	10 Å²	10	52.7 Å²	52.7	8%	0.083	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	6.9	170.7	0	0	0	0	0	113.1	I230 L231 K232 Q236 F271	I230-A234 WeakPolarHBondContact O-CB 3.32Å; I230-A234 PolarHBondContact O-N 2.94Å; L231-A234 CarbonylContact O-C 3.59Å; L231-A234 PolarHBondContact O-N 2.93Å; K232-A234 VanDerWaalsContact C-N 3.25Å; K232-A234 PolarHBondContact O-N 3.25Å; A234-Q236 HydrophobicContact CB-CG 4.21Å; A234-Q236 WeakPolarHBondContact O-CG 3.47Å; A234-Q236 PolarHBondContact O-N 3.24Å; A234-Q236 PolarHBondContact O-NE2 3.4Å; A234-F271 HydrophobicContact CB-CB 4.01Å
235	E	94.7	Very high	94.5	Very high	178 Å²	178	51.4 Å²	51.4	83%	0.832	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.3	34	-178.9	-57.5	178.2	-175.5	0	0	113.4	L231 K232 N233	L231-E235 PolarHBondContact O-N 3.14Å; K232-E235 PolarHBondContact O-N 2.95Å; N233-E235 VanDerWaalsContact C-N 3.29Å
236	Q	93.9	Very high	94.4	Very high	43 Å²	43	51.3 Å²	51.3	20%	0.201	26%	0.256	C	S	.	.			trans	-107.7	146.7	-179.9	-59.9	-51.4	-63.9	0	0	112.4	L231 A234 I248 R273	L231-Q236 PolarHBondContact O-N 2.94Å; A234-Q236 HydrophobicContact CB-CG 4.21Å; A234-Q236 WeakPolarHBondContact O-CG 3.47Å; A234-Q236 PolarHBondContact O-N 3.24Å; A234-Q236 PolarHBondContact O-NE2 3.4Å; Q236-I248 HydrophobicContact CG-CD1 4.16Å; Q236-R273 HydrophobicContact CG-CB 4.21Å; Q236-R273 VanDerWaalsContact OE1-CD 3.26Å
237	N	93	Very high	94.4	Very high	86 Å²	86	49.3 Å²	49.3	46%	0.46	25%	0.25	S	C	.	.			trans	-87.3	120.5	172	-171.9	-40	0	0	0	110.4	T239 L241	N237-T239 PolarHBondContact O-N 2.79Å; N237-T239 WeakPolarHBondContact OD1-CB 3.4Å; N237-T239 PolarHBondContact OD1-N 2.83Å; N237-L241 PolarHBondContact O-N 2.85Å
238	F	94.1	Very high	94.4	Very high	10 Å²	10	49.3 Å²	49.3	4%	0.044	25%	0.25	C	C	.	.	H	α-helix	trans	-57.3	-43.8	179.8	171	-100	0	0	0	112.8	V177 E178 L231 Q240 L241 A242 I312	V177-F238 HydrophobicContact CB-CE2 3.96Å; V177-F238 HydrophobicContact CB-CZ 3.97Å; V177-F238 HydrophobicContact CG1-CE2 4.02Å; E178-F238 HydrophobicContact CB-CD1 4.12Å; E178-F238 HydrophobicContact CB-CD2 4.15Å; E178-F238 HydrophobicContact CB-CE1 4.1Å; E178-F238 HydrophobicContact CB-CE2 4.11Å; E178-F238 HydrophobicContact CB-CG 4.15Å; E178-F238 HydrophobicContact CB-CZ 4.1Å; E178-F238 HydrophobicContact CG-CG 4.3Å; L231-F238 HydrophobicContact CD1-CB 4.06Å; L231-F238 HydrophobicContact CD1-CD2 3.6Å; L231-F238 HydrophobicContact CD1-CG 4.32Å; F238-Q240 VanDerWaalsContact C-N 3.34Å; F238-Q240 PolarHBondContact O-N 2.86Å; F238-L241 PolarHBondContact O-N 3.05Å; F238-A242 HydrophobicContact CE1-CB 4.09Å; F238-A242 HydrophobicContact CE2-CB 4.1Å; F238-A242 HydrophobicContact CZ-CB 3.87Å; F238-A242 WeakPolarHBondContact O-CB 3.47Å; F238-A242 PolarHBondContact O-N 2.92Å; F238-I312 HydrophobicContact CD2-CD1 4.46Å; F238-I312 HydrophobicContact CE2-CD1 4.41Å
239	T	92.8	Very high	94.4	Very high	89 Å²	89	49 Å²	49	55%	0.546	25%	0.246	S	C	.	.	H	α-helix	trans	-60.9	-43.6	-173.6	-50.8	0	0	0	0	111.9	N237 D243	N237-T239 PolarHBondContact O-N 2.79Å; N237-T239 WeakPolarHBondContact OD1-CB 3.4Å; N237-T239 PolarHBondContact OD1-N 2.83Å; T239-D243 PolarHBondContact O-N 2.92Å
240	Q	91.1	Very high	94.5	Very high	131 Å²	131	46.4 Å²	46.4	61%	0.612	23%	0.232	S	C	*	.	H	α-helix	trans	-69	-42.2	178.5	-67	180	-6.5	0	0	111.5	F238 A242 D243 M244	F238-Q240 VanDerWaalsContact C-N 3.34Å; F238-Q240 PolarHBondContact O-N 2.86Å; Q240-A242 VanDerWaalsContact C-N 3.33Å; Q240-D243 PolarHBondContact O-N 2.85Å; Q240-M244 PolarHBondContact O-N 3.31Å; Q240-M244 VanDerWaalsContact O-N 3.14Å
241	L	92.8	Very high	94.5	Very high	2 Å²	2	48.8 Å²	48.8	1%	0.01	24%	0.244	C	C	.	.	H	α-helix	trans	-69.3	-33	-180	-157.4	70.7	0	0	0	111.9	L231 N237 F238 D243 G245 I248 I312	L231-L241 HydrophobicContact CD1-CD2 4.35Å; L231-L241 HydrophobicContact CD2-CD2 3.53Å; N237-L241 PolarHBondContact O-N 2.85Å; F238-L241 PolarHBondContact O-N 3.05Å; L241-D243 VanDerWaalsContact C-N 3.35Å; L241-G245 CarbonylContact O-C 3.58Å; L241-G245 WeakPolarHBondContact O-CA 3.07Å; L241-G245 PolarHBondContact O-N 2.92Å; L241-I248 HydrophobicContact CD2-CD1 3.98Å; L241-I248 HydrophobicContact CD2-CG1 4.07Å; L241-I312 HydrophobicContact CD2-CD1 3.88Å; L241-I312 HydrophobicContact CD2-CG1 4.01Å; L241-I312 HydrophobicContact CD2-CG2 4Å; L241-I312 HydrophobicContact CG-CD1 4.19Å; L241-I312 HydrophobicContact CG-CG1 4.03Å
242	A	93.8	Very high	94.6	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-70.1	-32.4	176.8	0	0	0	0	0	112.1	T102 P173 F238 Q240	T102-A242 WeakPolarHBondContact CB-O 3.47Å; T102-A242 HydrophobicContact CG2-CB 4.13Å; T102-A242 WeakPolarHBondContact OG1-CA 3.23Å; T102-A242 PolarHBondContact OG1-O 3.17Å; P173-A242 HydrophobicContact CB-CB 3.7Å; P173-A242 HydrophobicContact CG-CB 4.22Å; F238-A242 HydrophobicContact CE1-CB 4.09Å; F238-A242 HydrophobicContact CE2-CB 4.1Å; F238-A242 HydrophobicContact CZ-CB 3.87Å; F238-A242 WeakPolarHBondContact O-CB 3.47Å; F238-A242 PolarHBondContact O-N 2.92Å; Q240-A242 VanDerWaalsContact C-N 3.33Å
243	D	92	Very high	94.7	Very high	60 Å²	60	42.1 Å²	42.1	32%	0.321	22%	0.218	S	C	.	.	H	α-helix	trans	-78.4	-43.7	179	-170.6	55.8	0	0	0	113.3	K103 P173 T239 Q240 L241	K103-D243 IonicContact NZ-OD1 2.62Å; K103-D243 PolarHBondContact NZ-OD1 2.8Å; P173-D243 HydrophobicContact CG-CB 4.05Å; T239-D243 PolarHBondContact O-N 2.92Å; Q240-D243 PolarHBondContact O-N 2.85Å; L241-D243 VanDerWaalsContact C-N 3.35Å
244	M	90.6	Very high	94.8	Very high	89 Å²	89	37.9 Å²	37.9	44%	0.438	20%	0.195	S	C	.	.	H	α-helix	trans	-98.6	-18.4	-175.4	-61.4	-173.1	180	0	0	113.9	Q240 P285 G286 Y287	Q240-M244 PolarHBondContact O-N 3.31Å; Q240-M244 VanDerWaalsContact O-N 3.14Å; M244-P285 HydrophobicContact SD-CB 3.94Å; M244-P285 HydrophobicContact SD-CG 4.22Å; M244-G286 CarbonylContact O-C 3.47Å; M244-G286 WeakPolarHBondContact O-CA 3.36Å; M244-Y287 PolarHBondContact O-N 2.78Å
245	G	93.8	Very high	94.9	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.222	C	C	.	.			trans	75.2	170.6	-166.3	0	0	0	0	0	112.9	L241 G286 A311	L241-G245 CarbonylContact O-C 3.58Å; L241-G245 WeakPolarHBondContact O-CA 3.07Å; L241-G245 PolarHBondContact O-N 2.92Å; G245-G286 WeakPolarHBondContact O-CA 3.49Å; G245-A311 WeakPolarHBondContact CA-O 3.24Å
246	G	94.8	Very high	94.9	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.1	-173.1	172.9	0	0	0	0	0	112.7	D275 A311 I312 R313	G246-D275 WeakPolarHBondContact CA-OD2 3.05Å; G246-A311 PolarHBondContact N-O 3.24Å; G246-I312 WeakPolarHBondContact O-CA 3.34Å; G246-R313 PolarHBondContact O-N 3.28Å
247	V	96.6	Very high	95.1	Very high	21 Å²	21	34.4 Å²	34.4	13%	0.127	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	121.5	-174.3	-168.7	0	0	0	0	110.4	R273 L274 D275 Y287 R313	V247-R273 CarbonylContact O-C 3.54Å; V247-R273 WeakPolarHBondContact O-CA 3.39Å; V247-L274 HydrophobicContact CB-CB 4.26Å; V247-L274 HydrophobicContact CG1-CB 3.97Å; V247-L274 HydrophobicContact CG1-CD1 4.07Å; V247-L274 HydrophobicContact CG1-CG 4.5Å; V247-L274 PolarHBondContact O-N 3.39Å; V247-D275 HydrophobicContact CB-CB 4Å; V247-D275 HydrophobicContact CG2-CB 3.93Å; V247-D275 VanDerWaalsContact N-CG 3.29Å; V247-D275 PolarHBondContact N-OD1 2.86Å; V247-D275 VanDerWaalsContact O-OD1 3.12Å; V247-Y287 HydrophobicContact CG2-CD2 4.42Å; V247-Y287 HydrophobicContact CG2-CG 4.47Å; V247-R313 CarbonylContact C-O 3.55Å; V247-R313 WeakPolarHBondContact CA-O 3.49Å; V247-R313 HydrophobicContact CG1-CB 4.25Å; V247-R313 HydrophobicContact CG1-CG 4.23Å; V247-R313 HydrophobicContact CG2-CB 4.29Å
248	I	97.6	Very high	95.2	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	126.5	-178.4	-58.6	-63.8	0	0	0	109.6	I230 L231 Q236 L241 T272 R273 I312 R313 F314 D315	I230-I248 HydrophobicContact CG2-CG2 3.81Å; L231-I248 HydrophobicContact CD2-CD1 3.83Å; L231-I248 HydrophobicContact CD2-CG1 3.67Å; Q236-I248 HydrophobicContact CG-CD1 4.16Å; L241-I248 HydrophobicContact CD2-CD1 3.98Å; L241-I248 HydrophobicContact CD2-CG1 4.07Å; I248-T272 CarbonylContact C-O 3.55Å; I248-T272 WeakPolarHBondContact CA-O 3.4Å; I248-R273 HydrophobicContact CD1-CB 4.23Å; I248-R273 HydrophobicContact CD1-CG 4.36Å; I248-I312 HydrophobicContact CG1-CG2 3.8Å; I248-R313 PolarHBondContact N-O 3.13Å; I248-F314 HydrophobicContact CB-CD1 3.94Å; I248-F314 HydrophobicContact CB-CE1 4.02Å; I248-F314 HydrophobicContact CG1-CE1 4.42Å; I248-F314 HydrophobicContact CG2-CD1 4.07Å; I248-F314 HydrophobicContact CG2-CE1 4.07Å; I248-F314 CarbonylContact O-C 3.55Å; I248-F314 VanDerWaalsContact O-CA 3.31Å; I248-F314 WeakPolarHBondContact O-CA 3.44Å; I248-D315 PolarHBondContact O-N 3.01Å
249	G	97.7	Very high	95.3	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	127.2	172.9	0	0	0	0	0	110.9	F271 T272 D315	G249-F271 WeakPolarHBondContact O-CA 3.32Å; G249-T272 PolarHBondContact N-O 2.87Å; G249-T272 PolarHBondContact O-N 3.38Å; G249-T272 VanDerWaalsContact O-N 3.11Å; G249-D315 CarbonylContact C-O 3.53Å; G249-D315 WeakPolarHBondContact CA-O 2.95Å
250	I	98	Very high	95.4	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	99.2	167.7	-56.3	176.8	0	0	0	106.7	I184 I230 F271 F314 D315 V316 I317	I184-I250 HydrophobicContact CD1-CD1 3.82Å; I184-I250 HydrophobicContact CD1-CG2 4Å; I230-I250 HydrophobicContact CD1-CD1 3.95Å; I250-F271 HydrophobicContact CB-CD1 4.42Å; I250-F271 HydrophobicContact CB-CE1 4.48Å; I250-F271 HydrophobicContact CG1-CD1 4.09Å; I250-F271 HydrophobicContact CG1-CE1 4.26Å; I250-F271 HydrophobicContact CG2-CD1 4.19Å; I250-F271 HydrophobicContact CG2-CE1 3.81Å; I250-F314 HydrophobicContact CD1-CD1 3.98Å; I250-F314 HydrophobicContact CG1-CD1 4.36Å; I250-D315 PolarHBondContact N-O 3.15Å; I250-V316 HydrophobicContact CB-CG2 4.36Å; I250-V316 HydrophobicContact CD1-CG2 4.44Å; I250-V316 CarbonylContact O-C 3.54Å; I250-V316 VanDerWaalsContact O-CA 3.32Å; I250-V316 WeakPolarHBondContact O-CA 3.17Å; I250-I317 PolarHBondContact O-N 3.15Å
251	M	97.4	Very high	95.5	Very high	52 Å²	52	33.1 Å²	33.1	26%	0.256	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	129.6	-178	-54.6	177.5	74.5	0	0	110	Y269 S270 T272 I317	M251-Y269 VanDerWaalsContact O-CA 3.31Å; M251-Y269 WeakPolarHBondContact O-CA 3.4Å; M251-S270 WeakPolarHBondContact CB-OG 3.5Å; M251-S270 PolarHBondContact N-O 3.25Å; M251-S270 PolarHBondContact O-N 2.94Å; M251-T272 HydrophobicContact SD-CG2 4.25Å; M251-I317 CarbonylContact C-O 3.59Å; M251-I317 VanDerWaalsContact CA-O 3.28Å; M251-I317 WeakPolarHBondContact CA-O 3.36Å
252	I	97.6	Very high	95.5	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	109.9	175.2	-46.9	-177.7	0	0	0	107.5	I184 N186 P267 Y269 V316 I317 V318 N319	I184-I252 HydrophobicContact CG2-CD1 4.13Å; N186-I252 HydrophobicContact CB-CD1 4.11Å; I252-P267 HydrophobicContact CG2-CB 3.85Å; I252-Y269 HydrophobicContact CB-CE1 4.33Å; I252-Y269 HydrophobicContact CD1-CD1 4.36Å; I252-Y269 HydrophobicContact CD1-CE1 3.65Å; I252-Y269 HydrophobicContact CG1-CD1 3.82Å; I252-Y269 HydrophobicContact CG1-CE1 3.58Å; I252-Y269 HydrophobicContact CG2-CD1 4.46Å; I252-Y269 HydrophobicContact CG2-CE1 4Å; I252-V316 HydrophobicContact CD1-CG1 3.71Å; I252-V316 HydrophobicContact CG1-CG1 4.2Å; I252-I317 PolarHBondContact N-O 2.95Å; I252-V318 HydrophobicContact CB-CG2 4.26Å; I252-V318 HydrophobicContact CD1-CG2 4.36Å; I252-V318 WeakPolarHBondContact O-CA 3.44Å; I252-N319 PolarHBondContact O-N 3.27Å
253	S	96.9	Very high	95.3	Very high	25 Å²	25	42.6 Å²	42.6	18%	0.175	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	127.1	-177.6	-60.3	0	0	0	0	111.4	L268 N319	S253-L268 PolarHBondContact N-O 3.24Å; S253-L268 PolarHBondContact O-N 3.18Å; S253-N319 CarbonylContact C-O 3.51Å; S253-N319 WeakPolarHBondContact CA-O 3.45Å
254	W	97.1	Very high	95.4	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	88.2	177.4	-68.5	95	0	0	0	110.4	I64 N186 I188 F190 K197 N199 P267 N319 G320 N321	I64-W254 HydrophobicContact CD1-CB 4.33Å; N186-W254 PolarHBondContact OD1-NE1 3.06Å; I188-W254 HydrophobicContact CD1-CB 3.87Å; I188-W254 HydrophobicContact CD1-CD2 3.55Å; I188-W254 HydrophobicContact CD1-CE3 3.86Å; I188-W254 HydrophobicContact CD1-CG 3.58Å; I188-W254 HydrophobicContact CG1-CD2 4.02Å; I188-W254 HydrophobicContact CG1-CE3 4.49Å; I188-W254 HydrophobicContact CG1-CG 4.23Å; I188-W254 HydrophobicContact CG1-CZ2 4.38Å; I188-W254 HydrophobicContact CG2-CG 4.32Å; F190-W254 HydrophobicContact CZ-CB 4.31Å; K197-W254 HydrophobicContact CD-CZ3 4.2Å; K197-W254 HydrophobicContact CG-CH2 4.19Å; K197-W254 HydrophobicContact CG-CZ3 4.06Å; N199-W254 HydrophobicContact CB-CZ2 4.42Å; W254-P267 HydrophobicContact CD2-CB 4.31Å; W254-P267 HydrophobicContact CE3-CB 4.49Å; W254-P267 HydrophobicContact CH2-CB 3.88Å; W254-P267 HydrophobicContact CH2-CG 3.89Å; W254-P267 HydrophobicContact CZ2-CB 3.65Å; W254-P267 HydrophobicContact CZ2-CG 4.07Å; W254-P267 HydrophobicContact CZ3-CB 4.29Å; W254-P267 HydrophobicContact CZ3-CG 4.4Å; W254-N319 PolarHBondContact N-O 3.42Å; W254-G320 CarbonylContact O-C 3.55Å; W254-G320 WeakPolarHBondContact O-CA 3.25Å; W254-N321 PolarHBondContact O-N 3.24Å
255	M	95.9	Very high	95.6	Very high	128 Å²	128	40.4 Å²	40.4	63%	0.631	21%	0.212	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-98.4	90.6	177.2	-63.2	-61.5	-67.5	0	0	108.8	N321	M255-N321 HydrophobicContact CE-CB 3.95Å; M255-N321 HydrophobicContact SD-CB 3.75Å
256	C	96.4	Very high	95.6	Very high	6 Å²	6	44.7 Å²	44.7	4%	0.041	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	131.4	-167.7	-62.5	0	0	0	0	112.2	L258 C265 N321 A322 G323	C256-L258 HydrophobicContact CB-CD2 4.16Å; C256-C265 HydrophobicContact CB-CB 3.67Å; C256-C265 WeakPolarHBondContact CB-SG 3.1Å; C256-C265 VanDerWaalsContact SG-CA 3.54Å; C256-C265 WeakPolarHBondContact SG-CB 3.38Å; C256-C265 CovalentContact SG-SG 2.02Å; C256-C265 PolarHBondContact SG-SG 2.89Å; C256-N321 PolarHBondContact N-O 3.31Å; C256-A322 CarbonylContact O-C 3.53Å; C256-A322 VanDerWaalsContact O-CA 3.28Å; C256-A322 WeakPolarHBondContact O-CA 3.49Å; C256-G323 PolarHBondContact O-N 3.39Å
257	D	96.6	Very high	95.7	Very high	24 Å²	24	45 Å²	45	13%	0.128	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	99.7	170.8	-174.7	-5.6	0	0	0	107.8	K55 Q58 D259 K260	K55-D257 IonicContact NZ-OD2 3.64Å; K55-D257 PolarHBondContact NZ-OD2 3.36Å; Q58-D257 PolarHBondContact NE2-OD1 2.88Å; D257-D259 PolarHBondContact O-N 2.75Å; D257-D259 PolarHBondContact OD1-N 2.95Å; D257-K260 HydrophobicContact CB-CD 4.3Å; D257-K260 HydrophobicContact CB-CG 4.31Å; D257-K260 WeakPolarHBondContact O-CB 3.41Å; D257-K260 PolarHBondContact O-N 3.17Å; D257-K260 VanDerWaalsContact O-N 3.11Å; D257-K260 WeakPolarHBondContact OD2-CE 3.31Å
258	L	96.4	Very high	95.6	Very high	26 Å²	26	48.9 Å²	48.9	14%	0.136	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	0.9	-173.8	-56.1	-176.4	0	0	0	113.1	F193 Y195 C256 K260 A322 G323 K324	F193-L258 HydrophobicContact CB-CD1 3.65Å; F193-L258 HydrophobicContact CD2-CD1 3.44Å; F193-L258 VanDerWaalsContact CD2-CD1 3.44Å; F193-L258 HydrophobicContact CE2-CD1 4.28Å; F193-L258 HydrophobicContact CG-CD1 3.67Å; Y195-L258 HydrophobicContact CD1-CD2 4.04Å; Y195-L258 HydrophobicContact CD2-CD2 3.87Å; Y195-L258 HydrophobicContact CE1-CD2 4Å; Y195-L258 HydrophobicContact CE2-CD2 3.85Å; Y195-L258 HydrophobicContact CG-CD1 4.29Å; Y195-L258 HydrophobicContact CG-CD2 3.93Å; C256-L258 HydrophobicContact CB-CD2 4.16Å; L258-K260 VanDerWaalsContact C-N 3.31Å; L258-A322 HydrophobicContact CD1-CB 4.02Å; L258-A322 HydrophobicContact CG-CB 4.2Å; L258-G323 WeakPolarHBondContact CB-O 3.1Å; L258-G323 PolarHBondContact N-O 2.98Å; L258-K324 HydrophobicContact CB-CB 4.04Å; L258-K324 HydrophobicContact CB-CD 4.24Å; L258-K324 HydrophobicContact CB-CG 4.14Å; L258-K324 HydrophobicContact CD1-CB 4.43Å
259	D	95.3	Very high	95.6	Very high	67 Å²	67	49.2 Å²	49.2	36%	0.358	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-16.6	167.7	-62.5	-22.3	0	0	0	111.6	Y57 Q58 D257 F325	Y57-D259 WeakPolarHBondContact CE2-OD2 3.5Å; Q58-D259 PolarHBondContact NE2-OD2 3.38Å; D257-D259 PolarHBondContact O-N 2.75Å; D257-D259 PolarHBondContact OD1-N 2.95Å; D259-F325 WeakPolarHBondContact OD1-CB 2.88Å; D259-F325 PolarHBondContact OD1-N 2.96Å; D259-F325 WeakPolarHBondContact OD2-CB 3.48Å; D259-F325 PolarHBondContact OD2-N 3Å; D259-F325 VanDerWaalsContact OD2-N 3.16Å
260	K	94.8	Very high	95.6	Very high	128 Å²	128	51.2 Å²	51.2	56%	0.557	27%	0.267	S	S	*	.	S	Bend	trans	-91.9	179	175.1	-60.2	-172.8	-179.8	-173	0	111.2	D257 L258 E264	D257-K260 HydrophobicContact CB-CD 4.3Å; D257-K260 HydrophobicContact CB-CG 4.31Å; D257-K260 WeakPolarHBondContact O-CB 3.41Å; D257-K260 PolarHBondContact O-N 3.17Å; D257-K260 VanDerWaalsContact O-N 3.11Å; D257-K260 WeakPolarHBondContact OD2-CE 3.31Å; L258-K260 VanDerWaalsContact C-N 3.31Å; K260-E264 HydrophobicContact CB-CB 4.35Å
261	S	94.1	Very high	95.5	Very high	67 Å²	67	52.5 Å²	52.5	47%	0.469	27%	0.273	S	S	.	.			trans	-62.3	150.4	174	58	0	0	0	0	111.5	D263 E264	S261-D263 PolarHBondContact O-N 2.77Å; S261-E264 PolarHBondContact O-N 2.97Å; S261-E264 VanDerWaalsContact O-N 3.08Å
262	D	91	Very high	95.4	Very high	82 Å²	82	52.8 Å²	52.8	44%	0.439	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-53.4	-39.8	176.8	-174	89.9	0	0	0	111.5	Y195 K197 E264 C265	Y195-D262 WeakPolarHBondContact CE2-OD1 3.36Å; Y195-D262 PolarHBondContact OH-OD1 2.82Å; K197-D262 VanDerWaalsContact NZ-C 3.34Å; K197-D262 PolarHBondContact NZ-O 3.36Å; K197-D262 IonicContact NZ-OD2 2.9Å; K197-D262 PolarHBondContact NZ-OD2 3.11Å; D262-E264 PolarHBondContact O-N 3.14Å; D262-E264 VanDerWaalsContact O-N 3.15Å; D262-C265 WeakPolarHBondContact O-CB 3.31Å; D262-C265 PolarHBondContact O-N 2.77Å
263	D	90.3	Very high	95.3	Very high	119 Å²	119	54.2 Å²	54.2	64%	0.636	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-60.5	-23.3	-179.5	-60	-42.4	0	0	0	114.3	S261 C265	S261-D263 PolarHBondContact O-N 2.77Å; D263-C265 VanDerWaalsContact C-N 3.31Å
264	E	93.4	Very high	95.1	Very high	100 Å²	100	56.7 Å²	56.7	47%	0.467	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-77.5	-18.4	176.1	-69.6	-68.9	-175.6	0	0	112.9	K260 S261 D262 K266	K260-E264 HydrophobicContact CB-CB 4.35Å; S261-E264 PolarHBondContact O-N 2.97Å; S261-E264 VanDerWaalsContact O-N 3.08Å; D262-E264 PolarHBondContact O-N 3.14Å; D262-E264 VanDerWaalsContact O-N 3.15Å; E264-K266 WeakPolarHBondContact O-CG 3.49Å; E264-K266 PolarHBondContact O-N 2.98Å; E264-K266 VanDerWaalsContact O-N 3.16Å; E264-K266 WeakPolarHBondContact OE2-CE 3.41Å; E264-K266 IonicContact OE2-NZ 2.85Å; E264-K266 PolarHBondContact OE2-NZ 2.76Å
265	C	95.1	Very high	94.8	Very high	4 Å²	4	57.6 Å²	57.6	3%	0.027	30%	0.299	C	S	.	.			trans	-80.8	92.2	171.4	178.3	0	0	0	0	109.6	Y195 K197 C256 D262 D263	Y195-C265 WeakPolarHBondContact OH-CB 3.24Å; Y195-C265 PolarHBondContact OH-SG 3.36Å; K197-C265 HydrophobicContact CD-CB 4.37Å; K197-C265 WeakPolarHBondContact CD-O 3.29Å; K197-C265 WeakPolarHBondContact CE-O 3.36Å; K197-C265 PolarHBondContact NZ-O 2.78Å; K197-C265 VanDerWaalsContact NZ-O 3.08Å; C256-C265 HydrophobicContact CB-CB 3.67Å; C256-C265 WeakPolarHBondContact CB-SG 3.1Å; C256-C265 VanDerWaalsContact SG-CA 3.54Å; C256-C265 WeakPolarHBondContact SG-CB 3.38Å; C256-C265 CovalentContact SG-SG 2.02Å; C256-C265 PolarHBondContact SG-SG 2.89Å; D262-C265 WeakPolarHBondContact O-CB 3.31Å; D262-C265 PolarHBondContact O-N 2.77Å; D263-C265 VanDerWaalsContact C-N 3.31Å
266	K	94.8	Very high	94.2	Very high	90 Å²	90	53.6 Å²	53.6	39%	0.391	29%	0.286	S	S	.	.			trans	-117.9	147.1	-176.2	1.4	-176.2	-177.3	-163.4	0	110.3	I220 E264	I220-K266 HydrophobicContact CD1-CB 3.84Å; I220-K266 HydrophobicContact CD1-CD 4.12Å; E264-K266 WeakPolarHBondContact O-CG 3.49Å; E264-K266 PolarHBondContact O-N 2.98Å; E264-K266 VanDerWaalsContact O-N 3.16Å; E264-K266 WeakPolarHBondContact OE2-CE 3.41Å; E264-K266 IonicContact OE2-NZ 2.85Å; E264-K266 PolarHBondContact OE2-NZ 2.76Å
267	P	96.1	Very high	93.5	Very high	7 Å²	7	59.9 Å²	59.9	5%	0.045	32%	0.316	C	S	.	.			trans	-70.6	138.2	174	28.6	-30.9	0	0	0	110.2	N199 Y221 I252 W254 Y269	N199-P267 HydrophobicContact CB-CG 4.31Å; Y221-P267 HydrophobicContact CD1-CG 4.47Å; Y221-P267 HydrophobicContact CE1-CG 4.25Å; I252-P267 HydrophobicContact CG2-CB 3.85Å; W254-P267 HydrophobicContact CD2-CB 4.31Å; W254-P267 HydrophobicContact CE3-CB 4.49Å; W254-P267 HydrophobicContact CH2-CB 3.88Å; W254-P267 HydrophobicContact CH2-CG 3.89Å; W254-P267 HydrophobicContact CZ2-CB 3.65Å; W254-P267 HydrophobicContact CZ2-CG 4.07Å; W254-P267 HydrophobicContact CZ3-CB 4.29Å; W254-P267 HydrophobicContact CZ3-CG 4.4Å; P267-Y269 HydrophobicContact CB-CD2 4.45Å; P267-Y269 HydrophobicContact CB-CE2 3.77Å; P267-Y269 HydrophobicContact CG-CE2 3.73Å
268	L	96	Very high	92.6	Very high	102 Å²	102	60 Å²	60	53%	0.534	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	117.9	171.1	-168.4	132.6	0	0	0	109.8	S253	S253-L268 PolarHBondContact N-O 3.24Å; S253-L268 PolarHBondContact O-N 3.18Å
269	Y	96.8	Very high	91.5	Very high	7 Å²	7	63.8 Å²	63.8	3%	0.027	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	133.5	-178	-64.5	-87.7	0	0	0	111.7	N199 F214 I220 F225 M251 I252 P267	N199-Y269 WeakPolarHBondContact CB-OH 3.16Å; N199-Y269 PolarHBondContact ND2-OH 3.33Å; N199-Y269 VanDerWaalsContact ND2-OH 3.13Å; F214-Y269 HydrophobicContact CD2-CD2 4.49Å; F214-Y269 AromaticContact CE2-CD2 3.44Å; F214-Y269 HydrophobicContact CE2-CD2 3.44Å; F214-Y269 VanDerWaalsContact CE2-CD2 3.44Å; F214-Y269 AromaticContact CE2-CE2 3.88Å; F214-Y269 HydrophobicContact CE2-CE2 3.88Å; F214-Y269 AromaticContact CE2-CG 3.92Å; F214-Y269 HydrophobicContact CE2-CG 3.92Å; F214-Y269 AromaticContact CZ-CD2 3.77Å; F214-Y269 HydrophobicContact CZ-CD2 3.77Å; F214-Y269 AromaticContact CZ-CG 3.87Å; F214-Y269 HydrophobicContact CZ-CG 3.87Å; I220-Y269 WeakPolarHBondContact O-CE2 3.43Å; F225-Y269 HydrophobicContact CE1-CD1 4.05Å; F225-Y269 HydrophobicContact CE1-CE1 4.16Å; F225-Y269 HydrophobicContact CE1-CG 4.41Å; F225-Y269 AromaticContact CZ-CD1 3.95Å; F225-Y269 HydrophobicContact CZ-CD1 3.95Å; F225-Y269 AromaticContact CZ-CE1 3.58Å; F225-Y269 HydrophobicContact CZ-CE1 3.58Å; F225-Y269 HydrophobicContact CZ-CE2 4.48Å; F225-Y269 AromaticContact CZ-CZ 3.89Å; M251-Y269 VanDerWaalsContact O-CA 3.31Å; M251-Y269 WeakPolarHBondContact O-CA 3.4Å; I252-Y269 HydrophobicContact CB-CE1 4.33Å; I252-Y269 HydrophobicContact CD1-CD1 4.36Å; I252-Y269 HydrophobicContact CD1-CE1 3.65Å; I252-Y269 HydrophobicContact CG1-CD1 3.82Å; I252-Y269 HydrophobicContact CG1-CE1 3.58Å; I252-Y269 HydrophobicContact CG2-CD1 4.46Å; I252-Y269 HydrophobicContact CG2-CE1 4Å; P267-Y269 HydrophobicContact CB-CD2 4.45Å; P267-Y269 HydrophobicContact CB-CE2 3.77Å; P267-Y269 HydrophobicContact CG-CE2 3.73Å
270	S	96.6	Very high	90.7	Very high	42 Å²	42	67.9 Å²	67.9	29%	0.294	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	147.5	168.4	57.4	0	0	0	0	111.1	M251	M251-S270 WeakPolarHBondContact CB-OG 3.5Å; M251-S270 PolarHBondContact N-O 3.25Å; M251-S270 PolarHBondContact O-N 2.94Å
271	F	96.8	Very high	89.8	Confident	26 Å²	26	65.4 Å²	65.4	11%	0.114	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	134.2	-175	-51.4	-82.7	0	0	0	109	F214 F225 I230 N233 A234 G249 I250	F214-F271 HydrophobicContact CD1-CZ 4.31Å; F214-F271 AromaticContact CE1-CE2 3.88Å; F214-F271 HydrophobicContact CE1-CE2 3.88Å; F214-F271 AromaticContact CE1-CZ 3.76Å; F214-F271 HydrophobicContact CE1-CZ 3.76Å; F214-F271 HydrophobicContact CZ-CZ 4.39Å; F225-F271 HydrophobicContact CD1-CE1 4.26Å; F225-F271 HydrophobicContact CD1-CZ 4.01Å; F225-F271 HydrophobicContact CE1-CE1 4.47Å; F225-F271 HydrophobicContact CE1-CZ 4.04Å; I230-F271 HydrophobicContact CB-CD1 4.27Å; I230-F271 HydrophobicContact CB-CE1 4.44Å; I230-F271 HydrophobicContact CG1-CD1 4.11Å; I230-F271 HydrophobicContact CG1-CE1 3.8Å; I230-F271 HydrophobicContact CG1-CZ 4.45Å; I230-F271 HydrophobicContact CG2-CD1 3.67Å; I230-F271 HydrophobicContact CG2-CE1 4.24Å; I230-F271 HydrophobicContact CG2-CG 4.3Å; N233-F271 HydrophobicContact CB-CB 4.3Å; N233-F271 HydrophobicContact CB-CD2 3.54Å; N233-F271 HydrophobicContact CB-CE2 4.21Å; N233-F271 HydrophobicContact CB-CG 4.19Å; A234-F271 HydrophobicContact CB-CB 4.01Å; G249-F271 WeakPolarHBondContact O-CA 3.32Å; I250-F271 HydrophobicContact CB-CD1 4.42Å; I250-F271 HydrophobicContact CB-CE1 4.48Å; I250-F271 HydrophobicContact CG1-CD1 4.09Å; I250-F271 HydrophobicContact CG1-CE1 4.26Å; I250-F271 HydrophobicContact CG2-CD1 4.19Å; I250-F271 HydrophobicContact CG2-CE1 3.81Å
272	T	95.9	Very high	88.7	Confident	59 Å²	59	69.9 Å²	69.9	36%	0.362	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	156.3	-178.3	-172.8	0	0	0	0	110.9	I248 G249 M251 L274	I248-T272 CarbonylContact C-O 3.55Å; I248-T272 WeakPolarHBondContact CA-O 3.4Å; G249-T272 PolarHBondContact N-O 2.87Å; G249-T272 PolarHBondContact O-N 3.38Å; G249-T272 VanDerWaalsContact O-N 3.11Å; M251-T272 HydrophobicContact SD-CG2 4.25Å; T272-L274 HydrophobicContact CG2-CD2 3.9Å
273	R	94.9	Very high	87.9	Confident	30 Å²	30	72.2 Å²	72.2	11%	0.113	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	120.3	170.8	-174.8	171.6	-179.1	165.4	-1.3	109.6	Q236 V247 I248 D275	Q236-R273 HydrophobicContact CG-CB 4.21Å; Q236-R273 VanDerWaalsContact OE1-CD 3.26Å; V247-R273 CarbonylContact O-C 3.54Å; V247-R273 WeakPolarHBondContact O-CA 3.39Å; I248-R273 HydrophobicContact CD1-CB 4.23Å; I248-R273 HydrophobicContact CD1-CG 4.36Å; R273-D275 WeakPolarHBondContact CG-OD1 3.41Å; R273-D275 IonicContact CZ-OD1 3.85Å; R273-D275 IonicContact CZ-OD2 3.43Å; R273-D275 IonicContact NE-OD1 2.74Å; R273-D275 PolarHBondContact NE-OD1 3.24Å; R273-D275 IonicContact NE-OD2 3.63Å; R273-D275 PolarHBondContact NE-OD2 2.88Å; R273-D275 IonicContact NH2-OD1 2.81Å; R273-D275 IonicContact NH2-OD2 3.62Å; R273-D275 PolarHBondContact NH2-OD2 3.32Å
274	L	93.8	Very high	87.3	Confident	77 Å²	77	69.5 Å²	69.5	40%	0.403	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-27	-176.9	-62.1	177.5	0	0	0	112.5	V247 T272 A276 D315 I317	V247-L274 HydrophobicContact CB-CB 4.26Å; V247-L274 HydrophobicContact CG1-CB 3.97Å; V247-L274 HydrophobicContact CG1-CD1 4.07Å; V247-L274 HydrophobicContact CG1-CG 4.5Å; V247-L274 PolarHBondContact O-N 3.39Å; T272-L274 HydrophobicContact CG2-CD2 3.9Å; L274-A276 VanDerWaalsContact C-N 3.33Å; L274-A276 PolarHBondContact O-N 3Å; L274-D315 HydrophobicContact CD1-CB 3.83Å; L274-I317 HydrophobicContact CD1-CD1 4.06Å; L274-I317 HydrophobicContact CD2-CD1 4.45Å
275	D	89.6	Confident	86.7	Confident	18 Å²	18	67.5 Å²	67.5	10%	0.096	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	34.1	179.2	70.8	-46.2	0	0	0	112.7	G246 V247 R273 M277 S278	G246-D275 WeakPolarHBondContact CA-OD2 3.05Å; V247-D275 HydrophobicContact CB-CB 4Å; V247-D275 HydrophobicContact CG2-CB 3.93Å; V247-D275 VanDerWaalsContact N-CG 3.29Å; V247-D275 PolarHBondContact N-OD1 2.86Å; V247-D275 VanDerWaalsContact O-OD1 3.12Å; R273-D275 WeakPolarHBondContact CG-OD1 3.41Å; R273-D275 IonicContact CZ-OD1 3.85Å; R273-D275 IonicContact CZ-OD2 3.43Å; R273-D275 IonicContact NE-OD1 2.74Å; R273-D275 PolarHBondContact NE-OD1 3.24Å; R273-D275 IonicContact NE-OD2 3.63Å; R273-D275 PolarHBondContact NE-OD2 2.88Å; R273-D275 IonicContact NH2-OD1 2.81Å; R273-D275 IonicContact NH2-OD2 3.62Å; R273-D275 PolarHBondContact NH2-OD2 3.32Å; D275-M277 PolarHBondContact O-N 2.83Å; D275-M277 VanDerWaalsContact O-N 3.14Å; D275-S278 WeakPolarHBondContact O-CB 3.35Å; D275-S278 PolarHBondContact O-N 3.21Å; D275-S278 PolarHBondContact O-OG 3.2Å
276	A	83.3	Confident	86.4	Confident	44 Å²	44	67.8 Å²	67.8	36%	0.364	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	-56.6	-32.1	-176.8	0	0	0	0	0	113.4	L274 S278 Q279	L274-A276 VanDerWaalsContact C-N 3.33Å; L274-A276 PolarHBondContact O-N 3Å; A276-S278 PolarHBondContact O-N 2.8Å; A276-Q279 WeakPolarHBondContact O-CB 3.5Å; A276-Q279 PolarHBondContact O-N 3.21Å; A276-Q279 VanDerWaalsContact O-N 3.15Å
277	M	82.1	Confident	86.3	Confident	138 Å²	138	66.5 Å²	66.5	68%	0.68	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-63.4	-26.7	175	-67.9	-58.1	-63.6	0	0	113.2	D275 Q279 Q280	D275-M277 PolarHBondContact O-N 2.83Å; D275-M277 VanDerWaalsContact O-N 3.14Å; M277-Q279 PolarHBondContact O-N 2.71Å; M277-Q280 PolarHBondContact O-N 3.12Å; M277-Q280 VanDerWaalsContact O-N 3.16Å
278	S	76.8	Confident	86.2	Confident	28 Å²	28	69 Å²	69	20%	0.196	38%	0.377	C	S	.	.	G	3₁₀ helix	trans	-64.8	-30.7	176.2	-55.8	0	0	0	0	111.6	D275 A276 Q280 N281 S284 P285	D275-S278 WeakPolarHBondContact O-CB 3.35Å; D275-S278 PolarHBondContact O-N 3.21Å; D275-S278 PolarHBondContact O-OG 3.2Å; A276-S278 PolarHBondContact O-N 2.8Å; S278-Q280 PolarHBondContact O-N 3.33Å; S278-N281 PolarHBondContact O-N 2.82Å; S278-S284 WeakPolarHBondContact CB-O 3.18Å; S278-P285 WeakPolarHBondContact O-CA 3.48Å
279	Q	74.6	Confident	86.1	Confident	104 Å²	104	66.4 Å²	66.4	49%	0.486	36%	0.362	S	S	.	.	G	3₁₀ helix	trans	-65.3	-25.5	176	-62.8	178.3	-43.5	0	0	112.7	A276 M277	A276-Q279 WeakPolarHBondContact O-CB 3.5Å; A276-Q279 PolarHBondContact O-N 3.21Å; A276-Q279 VanDerWaalsContact O-N 3.15Å; M277-Q279 PolarHBondContact O-N 2.71Å
280	Q	77.8	Confident	86	Confident	154 Å²	154	71.3 Å²	71.3	72%	0.72	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	-90.3	-6.7	-178.5	-61.1	-179.2	6.6	0	0	112.7	M277 S278	M277-Q280 PolarHBondContact O-N 3.12Å; M277-Q280 VanDerWaalsContact O-N 3.16Å; S278-Q280 PolarHBondContact O-N 3.33Å
281	N	76.7	Confident	86	Confident	76 Å²	76	72.4 Å²	72.4	41%	0.406	38%	0.38	S	S	.	.			trans	-117.8	123.2	-173.5	-170.6	-1.6	0	0	0	112	S278 V283	S278-N281 PolarHBondContact O-N 2.82Å; N281-V283 VanDerWaalsContact C-N 3.26Å; N281-V283 PolarHBondContact O-N 2.92Å; N281-V283 WeakPolarHBondContact OD1-CB 3.39Å; N281-V283 WeakPolarHBondContact OD1-CG2 3.35Å; N281-V283 PolarHBondContact OD1-N 3.41Å
282	N	70.8	Confident	86	Confident	160 Å²	160	72.3 Å²	72.3	86%	0.856	38%	0.384	S	S	*	.	S	Bend	trans	-75.6	-12.1	177.9	-66.9	-8.4	0	0	0	113.6
283	V	73.7	Confident	85.9	Confident	131 Å²	131	73.6 Å²	73.6	79%	0.794	39%	0.385	S	S	*	.	S	Bend	trans	-82.1	-33.7	-177.1	-178.1	0	0	0	0	112.3	N281	N281-V283 VanDerWaalsContact C-N 3.26Å; N281-V283 PolarHBondContact O-N 2.92Å; N281-V283 WeakPolarHBondContact OD1-CB 3.39Å; N281-V283 WeakPolarHBondContact OD1-CG2 3.35Å; N281-V283 PolarHBondContact OD1-N 3.41Å
284	S	77.5	Confident	86	Confident	62 Å²	62	79 Å²	79	43%	0.434	41%	0.406	S	S	.	.			trans	-147.2	76.4	-179.3	-176.7	0	0	0	0	110.4	S278 G286	S278-S284 WeakPolarHBondContact CB-O 3.18Å; S284-G286 VanDerWaalsContact C-N 3.26Å; S284-G286 PolarHBondContact O-N 2.88Å
285	P	82.1	Confident	86.1	Confident	58 Å²	58	80 Å²	80	38%	0.377	41%	0.405	S	S	.	.			trans	-74.8	-8.8	-169	29.3	-36.3	0	0	0	115	M244 S278	M244-P285 HydrophobicContact SD-CB 3.94Å; M244-P285 HydrophobicContact SD-CG 4.22Å; S278-P285 WeakPolarHBondContact O-CA 3.48Å
286	G	87.9	Confident	86.3	Confident	10 Å²	10	85.8 Å²	85.8	10%	0.103	43%	0.43	C	S	.	.	S	Bend	trans	-158.5	-154	-175.4	0	0	0	0	0	113.8	M244 G245 S284	M244-G286 CarbonylContact O-C 3.47Å; M244-G286 WeakPolarHBondContact O-CA 3.36Å; G245-G286 WeakPolarHBondContact O-CA 3.49Å; S284-G286 VanDerWaalsContact C-N 3.26Å; S284-G286 PolarHBondContact O-N 2.88Å
287	Y	93	Very high	86.8	Confident	63 Å²	63	87 Å²	87	25%	0.247	43%	0.429	C	S	.	.			trans	-125.5	116.1	-173.6	-177.2	-104.7	0	0	0	111.6	M244 V247 F289 A311 R313	M244-Y287 PolarHBondContact O-N 2.78Å; V247-Y287 HydrophobicContact CG2-CD2 4.42Å; V247-Y287 HydrophobicContact CG2-CG 4.47Å; Y287-F289 AromaticContact CE1-CD1 3.9Å; Y287-F289 HydrophobicContact CE1-CD1 3.9Å; Y287-F289 HydrophobicContact CE1-CE1 4.12Å; Y287-A311 HydrophobicContact CD1-CB 4.28Å; Y287-A311 WeakPolarHBondContact CD1-O 3.43Å; Y287-A311 HydrophobicContact CE1-CB 4.42Å; Y287-A311 PolarHBondContact O-N 3.44Å; Y287-R313 HydrophobicContact CD1-CB 4.16Å; Y287-R313 HydrophobicContact CE1-CB 3.98Å
288	N	93.7	Very high	87.3	Confident	60 Å²	60	90.4 Å²	90.4	32%	0.321	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	157.2	174.8	68.1	92.1	0	0	0	111.4	K308 A309 F310	N288-K308 WeakPolarHBondContact OD1-CE 3.34Å; N288-A309 CarbonylContact C-O 3.52Å; N288-A309 WeakPolarHBondContact CA-O 3.45Å; N288-A309 VanDerWaalsContact CB-O 3.3Å; N288-A309 WeakPolarHBondContact CB-O 3.32Å; N288-F310 HydrophobicContact CB-CD1 3.69Å; N288-F310 HydrophobicContact CB-CE1 3.95Å; N288-F310 HydrophobicContact CB-CG 4.1Å
289	F	94.8	Very high	88	Confident	47 Å²	47	94.6 Å²	94.6	21%	0.206	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	163	174.4	59.6	-84.9	0	0	0	110.1	T90 I101 Y287 F291 A309 A311	T90-F289 HydrophobicContact CG2-CE1 4.25Å; T90-F289 HydrophobicContact CG2-CE2 3.98Å; T90-F289 HydrophobicContact CG2-CZ 3.41Å; T90-F289 VanDerWaalsContact CG2-CZ 3.41Å; I101-F289 HydrophobicContact CD1-CZ 4.23Å; I101-F289 HydrophobicContact CG1-CZ 4.23Å; Y287-F289 AromaticContact CE1-CD1 3.9Å; Y287-F289 HydrophobicContact CE1-CD1 3.9Å; Y287-F289 HydrophobicContact CE1-CE1 4.12Å; F289-F291 HydrophobicContact CD2-CD1 4.09Å; F289-F291 AromaticContact CE2-CD1 3.65Å; F289-F291 HydrophobicContact CE2-CD1 3.65Å; F289-F291 HydrophobicContact CE2-CE1 4.06Å; F289-A309 HydrophobicContact CE1-CB 4.18Å; F289-A309 HydrophobicContact CE2-CB 4.04Å; F289-A309 HydrophobicContact CZ-CB 3.78Å; F289-A309 PolarHBondContact N-O 3.3Å; F289-A309 PolarHBondContact O-N 3.29Å; F289-A311 HydrophobicContact CE1-CB 3.94Å
290	R	94.3	Very high	88.8	Confident	110 Å²	110	91.4 Å²	91.4	42%	0.415	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	138.1	177.6	-69.9	177.5	175.2	93.6	-4.2	110.4	E165 D167 L306 V307 K308	E165-R290 IonicContact OE1-CZ 3.54Å; E165-R290 IonicContact OE1-NE 2.76Å; E165-R290 PolarHBondContact OE1-NE 2.75Å; E165-R290 IonicContact OE1-NH2 3.53Å; E165-R290 PolarHBondContact OE1-NH2 2.76Å; E165-R290 WeakPolarHBondContact OE2-CD 3.46Å; E165-R290 IonicContact OE2-CZ 3.71Å; E165-R290 IonicContact OE2-NE 3.43Å; E165-R290 PolarHBondContact OE2-NE 3.14Å; E165-R290 IonicContact OE2-NH2 2.82Å; D167-R290 IonicContact OD2-NH2 3.52Å; R290-L306 HydrophobicContact CB-CD1 4.33Å; R290-V307 CarbonylContact C-O 3.53Å; R290-V307 VanDerWaalsContact CA-O 3.28Å; R290-V307 WeakPolarHBondContact CA-O 3.31Å; R290-K308 HydrophobicContact CG-CB 3.93Å; R290-K308 HydrophobicContact CG-CG 4.01Å
291	F	95.8	Very high	89.5	Confident	65 Å²	65	87.1 Å²	87.1	29%	0.285	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	162.3	169.8	68.5	-84	0	0	0	109.8	I101 F289 K293 V307 A309	I101-F291 HydrophobicContact CD1-CE1 4.17Å; I101-F291 HydrophobicContact CD1-CZ 4.47Å; F289-F291 HydrophobicContact CD2-CD1 4.09Å; F289-F291 AromaticContact CE2-CD1 3.65Å; F289-F291 HydrophobicContact CE2-CD1 3.65Å; F289-F291 HydrophobicContact CE2-CE1 4.06Å; F291-K293 HydrophobicContact CE2-CG 4.31Å; F291-V307 HydrophobicContact CD1-CB 4.18Å; F291-V307 HydrophobicContact CD1-CG1 4.48Å; F291-V307 HydrophobicContact CD2-CB 4.48Å; F291-V307 HydrophobicContact CE1-CB 3.78Å; F291-V307 HydrophobicContact CE1-CG1 3.7Å; F291-V307 HydrophobicContact CE2-CB 4.1Å; F291-V307 HydrophobicContact CE2-CG2 4.14Å; F291-V307 HydrophobicContact CZ-CB 3.74Å; F291-V307 HydrophobicContact CZ-CG1 3.77Å; F291-V307 HydrophobicContact CZ-CG2 4.1Å; F291-V307 PolarHBondContact N-O 3.22Å; F291-V307 PolarHBondContact O-N 2.83Å; F291-A309 HydrophobicContact CE1-CB 3.97Å
292	A	96.3	Very high	90.4	Very high	25 Å²	25	88 Å²	88	21%	0.207	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	139.3	-179.6	0	0	0	0	0	111.2	Y294 R304 T305 L306	A292-Y294 HydrophobicContact CB-CD2 4.41Å; A292-Y294 HydrophobicContact CB-CE2 3.81Å; A292-R304 HydrophobicContact CB-CB 4.36Å; A292-R304 HydrophobicContact CB-CG 4.35Å; A292-T305 WeakPolarHBondContact CA-O 3.3Å; A292-L306 HydrophobicContact CB-CD1 4.48Å
293	K	95.4	Very high	91.6	Very high	85 Å²	85	83 Å²	83	37%	0.37	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	118.6	167.7	-59.5	-176.7	178.8	-174.1	0	107.7	F291 Y295 R304 T305	F291-K293 HydrophobicContact CE2-CG 4.31Å; K293-Y295 HydrophobicContact CB-CE2 3.7Å; K293-Y295 WeakPolarHBondContact CB-OH 3.35Å; K293-Y295 WeakPolarHBondContact CD-OH 3.46Å; K293-Y295 WeakPolarHBondContact O-CD2 3.31Å; K293-Y295 VanDerWaalsContact O-CE2 3.24Å; K293-Y295 WeakPolarHBondContact O-CE2 3.38Å; K293-R304 CarbonylContact O-C 3.46Å; K293-R304 WeakPolarHBondContact O-CA 3.45Å; K293-R304 WeakPolarHBondContact O-CB 3.27Å; K293-T305 PolarHBondContact N-O 3.24Å; K293-T305 PolarHBondContact O-N 2.9Å
294	Y	95.6	Very high	92.7	Very high	143 Å²	143	78.5 Å²	78.5	56%	0.561	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.4	140.3	-176.2	-68.7	-86	0	0	0	111.2	W161 A292 R304	W161-Y294 HydrophobicContact CH2-CD1 4.33Å; W161-Y294 AromaticContact CH2-CE1 4Å; W161-Y294 HydrophobicContact CH2-CE1 4Å; W161-Y294 HydrophobicContact CZ2-CD1 4.49Å; W161-Y294 AromaticContact CZ2-CE1 3.73Å; W161-Y294 HydrophobicContact CZ2-CE1 3.73Å; A292-Y294 HydrophobicContact CB-CD2 4.41Å; A292-Y294 HydrophobicContact CB-CE2 3.81Å; Y294-R304 HydrophobicContact CD1-CB 3.77Å; Y294-R304 HydrophobicContact CE1-CB 3.97Å; Y294-R304 HydrophobicContact CE1-CG 4.44Å; Y294-R304 HydrophobicContact CG-CB 4.36Å; Y294-R304 PolarHBondContact OH-NH1 2.81Å
295	Y	95.9	Very high	93.6	Very high	99 Å²	99	76.4 Å²	76.4	39%	0.388	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	168.3	-177.2	-51.2	-79	0	0	0	109.7	K293 Y303	K293-Y295 HydrophobicContact CB-CE2 3.7Å; K293-Y295 WeakPolarHBondContact CB-OH 3.35Å; K293-Y295 WeakPolarHBondContact CD-OH 3.46Å; K293-Y295 WeakPolarHBondContact O-CD2 3.31Å; K293-Y295 VanDerWaalsContact O-CE2 3.24Å; K293-Y295 WeakPolarHBondContact O-CE2 3.38Å; Y295-Y303 CarbonylContact C-O 3.5Å; Y295-Y303 HydrophobicContact CD2-CD2 4.14Å; Y295-Y303 AromaticContact CD2-CE2 3.73Å; Y295-Y303 HydrophobicContact CD2-CE2 3.73Å; Y295-Y303 HydrophobicContact CG-CE1 4.44Å; Y295-Y303 AromaticContact CG-CE2 3.98Å; Y295-Y303 HydrophobicContact CG-CE2 3.98Å; Y295-Y303 AromaticContact CG-CZ 3.9Å; Y295-Y303 PolarHBondContact N-O 2.72Å; Y295-Y303 PolarHBondContact O-N 2.96Å
296	K	95.1	Very high	94.3	Very high	140 Å²	140	74.2 Å²	74.2	61%	0.609	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131	131.2	178.4	-165.6	166.1	-173.2	166.3	0	110.3	G300	K296-G300 WeakPolarHBondContact CE-O 3.29Å
297	M	92.7	Very high	94.6	Very high	70 Å²	70	74 Å²	74	35%	0.345	35%	0.352	S	S	.	.			trans	-75.4	161.5	175.9	-69.8	-178.8	179.4	0	0	110.8	V111 N299 G300 T301 Y303	V111-M297 HydrophobicContact CG1-CE 3.97Å; M297-N299 WeakPolarHBondContact CB-OD1 3.36Å; M297-N299 PolarHBondContact O-N 2.86Å; M297-G300 PolarHBondContact O-N 2.82Å; M297-T301 PolarHBondContact N-O 3.06Å; M297-Y303 HydrophobicContact CB-CD1 4.47Å; M297-Y303 HydrophobicContact CE-CD1 4.13Å; M297-Y303 HydrophobicContact CE-CG 4.07Å; M297-Y303 HydrophobicContact CG-CD1 3.5Å; M297-Y303 VanDerWaalsContact CG-CD1 3.5Å; M297-Y303 HydrophobicContact CG-CE1 3.72Å; M297-Y303 HydrophobicContact CG-CG 4.36Å
298	E	92.9	Very high	94.7	Very high	209 Å²	209	71.6 Å²	71.6	98%	0.977	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-31.9	176.1	-65.6	-176.9	173.9	0	0	112.8	G300	E298-G300 PolarHBondContact O-N 3.43Å
299	N	91.3	Very high	94.7	Very high	115 Å²	115	68.8 Å²	68.8	62%	0.615	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	2.1	175.6	70.1	5.4	0	0	0	114	M297 T301	M297-N299 WeakPolarHBondContact CB-OD1 3.36Å; M297-N299 PolarHBondContact O-N 2.86Å; N299-T301 PolarHBondContact ND2-OG1 2.76Å; N299-T301 WeakPolarHBondContact OD1-CB 3.17Å; N299-T301 PolarHBondContact OD1-N 2.64Å; N299-T301 PolarHBondContact OD1-OG1 3.14Å
300	G	92	Very high	94.8	Very high	38 Å²	38	67.6 Å²	67.6	39%	0.392	32%	0.322	S	S	.	.	S	Bend	trans	84.4	1.1	-179.3	0	0	0	0	0	115.7	K296 M297 E298	K296-G300 WeakPolarHBondContact CE-O 3.29Å; M297-G300 PolarHBondContact O-N 2.82Å; E298-G300 PolarHBondContact O-N 3.43Å
301	T	92.8	Very high	94.9	Very high	63 Å²	63	62.3 Å²	62.3	39%	0.387	30%	0.303	S	S	.	.			trans	-76.6	130.6	178	-53.6	0	0	0	0	110.8	M297 N299	M297-T301 PolarHBondContact N-O 3.06Å; N299-T301 PolarHBondContact ND2-OG1 2.76Å; N299-T301 WeakPolarHBondContact OD1-CB 3.17Å; N299-T301 PolarHBondContact OD1-N 2.64Å; N299-T301 PolarHBondContact OD1-OG1 3.14Å
302	D	94.8	Very high	94.9	Very high	96 Å²	96	59.2 Å²	59.2	51%	0.513	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	133.8	174.8	-62.5	-34.6	0	0	0	110.6
303	Y	96.5	Very high	95	Very high	54 Å²	54	61.5 Å²	61.5	21%	0.212	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	160.8	174.4	75.2	-79.6	0	0	0	110.6	Q110 Y295 M297	Q110-Y303 CarbonylContact O-C 3.53Å; Q110-Y303 WeakPolarHBondContact O-CA 3.11Å; Q110-Y303 WeakPolarHBondContact O-CB 3.39Å; Y295-Y303 CarbonylContact C-O 3.5Å; Y295-Y303 HydrophobicContact CD2-CD2 4.14Å; Y295-Y303 AromaticContact CD2-CE2 3.73Å; Y295-Y303 HydrophobicContact CD2-CE2 3.73Å; Y295-Y303 HydrophobicContact CG-CE1 4.44Å; Y295-Y303 AromaticContact CG-CE2 3.98Å; Y295-Y303 HydrophobicContact CG-CE2 3.98Å; Y295-Y303 AromaticContact CG-CZ 3.9Å; Y295-Y303 PolarHBondContact N-O 2.72Å; Y295-Y303 PolarHBondContact O-N 2.96Å; M297-Y303 HydrophobicContact CB-CD1 4.47Å; M297-Y303 HydrophobicContact CE-CD1 4.13Å; M297-Y303 HydrophobicContact CE-CG 4.07Å; M297-Y303 HydrophobicContact CG-CD1 3.5Å; M297-Y303 VanDerWaalsContact CG-CD1 3.5Å; M297-Y303 HydrophobicContact CG-CE1 3.72Å; M297-Y303 HydrophobicContact CG-CG 4.36Å
304	R	96.8	Very high	95.1	Very high	37 Å²	37	57.5 Å²	57.5	14%	0.14	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	155.7	178.7	75.6	-176.2	-166.7	173	-0.3	112.3	N109 Q110 W161 A292 K293 Y294	N109-R304 PolarHBondContact N-O 3.16Å; Q110-R304 HydrophobicContact CB-CG 3.86Å; Q110-R304 WeakPolarHBondContact CB-O 3.41Å; Q110-R304 PolarHBondContact N-O 2.98Å; Q110-R304 PolarHBondContact O-N 3.36Å; Q110-R304 VanDerWaalsContact OE1-NH2 3.08Å; W161-R304 VanDerWaalsContact CD2-CD 3.47Å; W161-R304 HydrophobicContact CD2-CG 4.01Å; W161-R304 VanDerWaalsContact CD2-NE 3.26Å; W161-R304 HydrophobicContact CE3-CG 3.65Å; W161-R304 VanDerWaalsContact CG-NE 3.3Å; W161-R304 VanDerWaalsContact CG-NH2 3.33Å; W161-R304 HydrophobicContact CH2-CB 4.38Å; W161-R304 HydrophobicContact CH2-CG 4.18Å; W161-R304 HydrophobicContact CZ3-CB 4.17Å; W161-R304 HydrophobicContact CZ3-CG 3.74Å; A292-R304 HydrophobicContact CB-CB 4.36Å; A292-R304 HydrophobicContact CB-CG 4.35Å; K293-R304 CarbonylContact O-C 3.46Å; K293-R304 WeakPolarHBondContact O-CA 3.45Å; K293-R304 WeakPolarHBondContact O-CB 3.27Å; Y294-R304 HydrophobicContact CD1-CB 3.77Å; Y294-R304 HydrophobicContact CE1-CB 3.97Å; Y294-R304 HydrophobicContact CE1-CG 4.44Å; Y294-R304 HydrophobicContact CG-CB 4.36Å; Y294-R304 PolarHBondContact OH-NH1 2.81Å
305	T	96.2	Very high	95.2	Very high	17 Å²	17	51.8 Å²	51.8	10%	0.104	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	116	162.1	-62.2	0	0	0	0	108	T107 E108 A292 K293 V307	T107-T305 WeakPolarHBondContact O-CA 3.43Å; E108-T305 HydrophobicContact CG-CG2 4.06Å; A292-T305 WeakPolarHBondContact CA-O 3.3Å; K293-T305 PolarHBondContact N-O 3.24Å; K293-T305 PolarHBondContact O-N 2.9Å; T305-V307 HydrophobicContact CG2-CG2 4.27Å
306	L	96.3	Very high	95.3	Very high	13 Å²	13	47.4 Å²	47.4	7%	0.068	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	133.7	174	179.5	67.9	0	0	0	109.1	T106 T107 E165 R290 A292	T106-L306 WeakPolarHBondContact CA-O 3.12Å; T107-L306 PolarHBondContact N-O 2.87Å; T107-L306 PolarHBondContact O-N 3.48Å; E165-L306 HydrophobicContact CB-CD2 4.17Å; E165-L306 WeakPolarHBondContact OE2-CD2 3.43Å; R290-L306 HydrophobicContact CB-CD1 4.33Å; A292-L306 HydrophobicContact CB-CD1 4.48Å
307	V	94.4	Very high	95.4	Very high	5 Å²	5	43.6 Å²	43.6	3%	0.03	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	118.7	178.3	-173.6	0	0	0	0	108.1	M104 T106 R290 F291 T305	M104-V307 HydrophobicContact CB-CG1 4.05Å; M104-V307 HydrophobicContact CG-CG1 3.96Å; M104-V307 HydrophobicContact SD-CG1 3.85Å; T106-V307 HydrophobicContact CG2-CG1 4.34Å; T106-V307 HydrophobicContact CG2-CG2 4.24Å; R290-V307 CarbonylContact C-O 3.53Å; R290-V307 VanDerWaalsContact CA-O 3.28Å; R290-V307 WeakPolarHBondContact CA-O 3.31Å; F291-V307 HydrophobicContact CD1-CB 4.18Å; F291-V307 HydrophobicContact CD1-CG1 4.48Å; F291-V307 HydrophobicContact CD2-CB 4.48Å; F291-V307 HydrophobicContact CE1-CB 3.78Å; F291-V307 HydrophobicContact CE1-CG1 3.7Å; F291-V307 HydrophobicContact CE2-CB 4.1Å; F291-V307 HydrophobicContact CE2-CG2 4.14Å; F291-V307 HydrophobicContact CZ-CB 3.74Å; F291-V307 HydrophobicContact CZ-CG1 3.77Å; F291-V307 HydrophobicContact CZ-CG2 4.1Å; F291-V307 PolarHBondContact N-O 3.22Å; F291-V307 PolarHBondContact O-N 2.83Å; T305-V307 HydrophobicContact CG2-CG2 4.27Å
308	K	94.7	Very high	95.6	Very high	13 Å²	13	41.3 Å²	41.3	6%	0.057	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	112.7	162	-177.3	-175.4	-179.6	-173.1	0	107.8	M104 I105 E165 D167 N288 R290 F310	M104-K308 CarbonylContact C-O 3.58Å; M104-K308 VanDerWaalsContact CA-O 3.29Å; M104-K308 WeakPolarHBondContact CA-O 3.4Å; I105-K308 HydrophobicContact CB-CB 4.32Å; I105-K308 PolarHBondContact N-O 3.23Å; I105-K308 PolarHBondContact O-N 2.69Å; E165-K308 WeakPolarHBondContact OE1-CD 3.34Å; D167-K308 IonicContact OD1-NZ 3.19Å; D167-K308 PolarHBondContact OD1-NZ 3.06Å; D167-K308 IonicContact OD2-NZ 2.86Å; D167-K308 PolarHBondContact OD2-NZ 2.89Å; N288-K308 WeakPolarHBondContact OD1-CE 3.34Å; R290-K308 HydrophobicContact CG-CB 3.93Å; R290-K308 HydrophobicContact CG-CG 4.01Å; K308-F310 HydrophobicContact CD-CE2 4.09Å; K308-F310 HydrophobicContact CD-CZ 4.09Å; K308-F310 VanDerWaalsContact CE-CZ 3.49Å; K308-F310 HydrophobicContact CG-CE2 4.22Å
309	A	95.3	Very high	95.8	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	129.8	-179	0	0	0	0	0	110.7	I101 M104 N288 F289 F291	I101-A309 HydrophobicContact CD1-CB 3.88Å; I101-A309 HydrophobicContact CG1-CB 4Å; I101-A309 HydrophobicContact CG2-CB 3.88Å; M104-A309 HydrophobicContact CG-CB 4.41Å; N288-A309 CarbonylContact C-O 3.52Å; N288-A309 WeakPolarHBondContact CA-O 3.45Å; N288-A309 VanDerWaalsContact CB-O 3.3Å; N288-A309 WeakPolarHBondContact CB-O 3.32Å; F289-A309 HydrophobicContact CE1-CB 4.18Å; F289-A309 HydrophobicContact CE2-CB 4.04Å; F289-A309 HydrophobicContact CZ-CB 3.78Å; F289-A309 PolarHBondContact N-O 3.3Å; F289-A309 PolarHBondContact O-N 3.29Å; F291-A309 HydrophobicContact CE1-CB 3.97Å
310	F	95.3	Very high	96	Very high	22 Å²	22	30.2 Å²	30.2	10%	0.096	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	130.8	164.7	-58.1	-100.5	0	0	0	106.9	T102 K103 I105 N288 K308	T102-F310 PolarHBondContact N-O 3.36Å; T102-F310 PolarHBondContact OG1-O 3.39Å; K103-F310 HydrophobicContact CB-CB 4.11Å; K103-F310 HydrophobicContact CB-CD2 4.33Å; K103-F310 HydrophobicContact CD-CD2 4.14Å; K103-F310 HydrophobicContact CD-CG 4.49Å; K103-F310 HydrophobicContact CG-CD2 4.03Å; K103-F310 PolarHBondContact N-O 3.01Å; K103-F310 PolarHBondContact O-N 3.14Å; I105-F310 HydrophobicContact CD1-CE2 3.93Å; I105-F310 HydrophobicContact CD1-CZ 4.39Å; I105-F310 HydrophobicContact CG1-CE2 4.22Å; N288-F310 HydrophobicContact CB-CD1 3.69Å; N288-F310 HydrophobicContact CB-CE1 3.95Å; N288-F310 HydrophobicContact CB-CG 4.1Å; K308-F310 HydrophobicContact CD-CE2 4.09Å; K308-F310 HydrophobicContact CD-CZ 4.09Å; K308-F310 VanDerWaalsContact CE-CZ 3.49Å; K308-F310 HydrophobicContact CG-CE2 4.22Å
311	A	96.1	Very high	96.2	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	155.6	-170	0	0	0	0	0	111.9	C99 I100 I101 G245 G246 Y287 F289	C99-A311 HydrophobicContact CB-CB 3.97Å; I100-A311 VanDerWaalsContact O-CA 3.31Å; I100-A311 WeakPolarHBondContact O-CA 3.42Å; I100-A311 WeakPolarHBondContact O-CB 3.41Å; I101-A311 HydrophobicContact CG1-CB 4.25Å; G245-A311 WeakPolarHBondContact CA-O 3.24Å; G246-A311 PolarHBondContact N-O 3.24Å; Y287-A311 HydrophobicContact CD1-CB 4.28Å; Y287-A311 WeakPolarHBondContact CD1-O 3.43Å; Y287-A311 HydrophobicContact CE1-CB 4.42Å; Y287-A311 PolarHBondContact O-N 3.44Å; F289-A311 HydrophobicContact CE1-CB 3.94Å
312	I	97.1	Very high	96.4	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	113.5	164.8	-53.3	172.8	0	0	0	106.7	C99 I100 T102 L231 F238 L241 G246 I248 F314	C99-I312 CarbonylContact C-O 3.55Å; C99-I312 WeakPolarHBondContact CA-O 3.2Å; I100-I312 PolarHBondContact N-O 2.97Å; I100-I312 PolarHBondContact O-N 3.08Å; T102-I312 HydrophobicContact CG2-CD1 3.86Å; T102-I312 HydrophobicContact CG2-CG1 3.93Å; L231-I312 HydrophobicContact CD1-CD1 4.13Å; F238-I312 HydrophobicContact CD2-CD1 4.46Å; F238-I312 HydrophobicContact CE2-CD1 4.41Å; L241-I312 HydrophobicContact CD2-CD1 3.88Å; L241-I312 HydrophobicContact CD2-CG1 4.01Å; L241-I312 HydrophobicContact CD2-CG2 4Å; L241-I312 HydrophobicContact CG-CD1 4.19Å; L241-I312 HydrophobicContact CG-CG1 4.03Å; G246-I312 WeakPolarHBondContact O-CA 3.34Å; I248-I312 HydrophobicContact CG1-CG2 3.8Å; I312-F314 HydrophobicContact CB-CE2 3.91Å; I312-F314 HydrophobicContact CB-CZ 4.24Å; I312-F314 HydrophobicContact CG2-CD2 4.23Å; I312-F314 HydrophobicContact CG2-CE1 4.16Å; I312-F314 HydrophobicContact CG2-CE2 3.58Å; I312-F314 HydrophobicContact CG2-CZ 3.54Å
313	R	97.3	Very high	96.5	Very high	73 Å²	73	22.6 Å²	22.6	28%	0.275	11%	0.112	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	128.7	173.7	177.7	177.1	159.6	175.9	-5.1	109.3	V97 G246 V247 I248 Y287 D315	V97-R313 HydrophobicContact CG1-CG 4.18Å; V97-R313 VanDerWaalsContact CG1-NE 3.29Å; G246-R313 PolarHBondContact O-N 3.28Å; V247-R313 CarbonylContact C-O 3.55Å; V247-R313 WeakPolarHBondContact CA-O 3.49Å; V247-R313 HydrophobicContact CG1-CB 4.25Å; V247-R313 HydrophobicContact CG1-CG 4.23Å; V247-R313 HydrophobicContact CG2-CB 4.29Å; I248-R313 PolarHBondContact N-O 3.13Å; Y287-R313 HydrophobicContact CD1-CB 4.16Å; Y287-R313 HydrophobicContact CE1-CB 3.98Å; R313-D315 VanDerWaalsContact CG-OD1 3.32Å; R313-D315 WeakPolarHBondContact CG-OD1 3.28Å; R313-D315 IonicContact CZ-OD1 3.61Å; R313-D315 IonicContact CZ-OD2 3.73Å; R313-D315 IonicContact NE-OD1 2.66Å; R313-D315 PolarHBondContact NE-OD1 3.43Å; R313-D315 IonicContact NE-OD2 2.83Å; R313-D315 IonicContact NH2-OD1 3.71Å; R313-D315 PolarHBondContact NH2-OD1 2.96Å; R313-D315 IonicContact NH2-OD2 3.71Å; R313-D315 PolarHBondContact NH2-OD2 3.48Å
314	F	97.9	Very high	96.5	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	124.5	175.5	-66.4	-86.8	0	0	0	110	V97 F98 I100 I182 V227 I230 I248 I250 I312	V97-F314 WeakPolarHBondContact CA-O 3.18Å; F98-F314 HydrophobicContact CD1-CB 4.34Å; F98-F314 HydrophobicContact CD2-CB 4.43Å; F98-F314 HydrophobicContact CD2-CD2 4.37Å; F98-F314 HydrophobicContact CE1-CB 3.75Å; F98-F314 HydrophobicContact CE2-CB 3.87Å; F98-F314 AromaticContact CE2-CD2 3.73Å; F98-F314 HydrophobicContact CE2-CD2 3.73Å; F98-F314 HydrophobicContact CE2-CG 4.04Å; F98-F314 HydrophobicContact CZ-CB 3.49Å; F98-F314 VanDerWaalsContact CZ-CB 3.49Å; F98-F314 HydrophobicContact CZ-CD2 4.11Å; F98-F314 AromaticContact CZ-CG 3.93Å; F98-F314 HydrophobicContact CZ-CG 3.93Å; F98-F314 PolarHBondContact N-O 3.39Å; F98-F314 VanDerWaalsContact N-O 3.14Å; F98-F314 PolarHBondContact O-N 3.16Å; I100-F314 HydrophobicContact CB-CE2 4.4Å; I100-F314 HydrophobicContact CD1-CD2 4.26Å; I100-F314 HydrophobicContact CD1-CE2 3.77Å; I100-F314 HydrophobicContact CG1-CD2 4.29Å; I100-F314 HydrophobicContact CG1-CE2 4.05Å; I182-F314 HydrophobicContact CD1-CD1 4.25Å; I182-F314 HydrophobicContact CD1-CD2 4.28Å; I182-F314 HydrophobicContact CD1-CE1 4.16Å; I182-F314 HydrophobicContact CD1-CE2 4.21Å; I182-F314 HydrophobicContact CD1-CG 4.3Å; I182-F314 HydrophobicContact CD1-CZ 4.14Å; V227-F314 HydrophobicContact CG1-CZ 4.1Å; I230-F314 HydrophobicContact CD1-CE1 4.49Å; I230-F314 HydrophobicContact CG2-CE1 4.02Å; I248-F314 HydrophobicContact CB-CD1 3.94Å; I248-F314 HydrophobicContact CB-CE1 4.02Å; I248-F314 HydrophobicContact CG1-CE1 4.42Å; I248-F314 HydrophobicContact CG2-CD1 4.07Å; I248-F314 HydrophobicContact CG2-CE1 4.07Å; I248-F314 CarbonylContact O-C 3.55Å; I248-F314 VanDerWaalsContact O-CA 3.31Å; I248-F314 WeakPolarHBondContact O-CA 3.44Å; I250-F314 HydrophobicContact CD1-CD1 3.98Å; I250-F314 HydrophobicContact CG1-CD1 4.36Å; I312-F314 HydrophobicContact CB-CE2 3.91Å; I312-F314 HydrophobicContact CB-CZ 4.24Å; I312-F314 HydrophobicContact CG2-CD2 4.23Å; I312-F314 HydrophobicContact CG2-CE1 4.16Å; I312-F314 HydrophobicContact CG2-CE2 3.58Å; I312-F314 HydrophobicContact CG2-CZ 3.54Å
315	D	97.9	Very high	96.5	Very high	23 Å²	23	27.5 Å²	27.5	12%	0.123	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	108	177	-73.9	26.8	0	0	0	108.5	S96 I248 G249 I250 L274 R313 I317	S96-D315 CarbonylContact O-C 3.59Å; I248-D315 PolarHBondContact O-N 3.01Å; G249-D315 CarbonylContact C-O 3.53Å; G249-D315 WeakPolarHBondContact CA-O 2.95Å; I250-D315 PolarHBondContact N-O 3.15Å; L274-D315 HydrophobicContact CD1-CB 3.83Å; R313-D315 VanDerWaalsContact CG-OD1 3.32Å; R313-D315 WeakPolarHBondContact CG-OD1 3.28Å; R313-D315 IonicContact CZ-OD1 3.61Å; R313-D315 IonicContact CZ-OD2 3.73Å; R313-D315 IonicContact NE-OD1 2.66Å; R313-D315 PolarHBondContact NE-OD1 3.43Å; R313-D315 IonicContact NE-OD2 2.83Å; R313-D315 IonicContact NH2-OD1 3.71Å; R313-D315 PolarHBondContact NH2-OD1 2.96Å; R313-D315 IonicContact NH2-OD2 3.71Å; R313-D315 PolarHBondContact NH2-OD2 3.48Å; D315-I317 HydrophobicContact CB-CG1 4.36Å; D315-I317 PolarHBondContact O-N 3.16Å
316	V	98	Very high	96.5	Very high	7 Å²	7	29.5 Å²	29.5	4%	0.042	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	104.4	174.3	-173.6	0	0	0	0	108.7	V68 T70 S96 F98 I184 I250 I252 V318	V68-V316 HydrophobicContact CG1-CB 3.95Å; V68-V316 HydrophobicContact CG1-CG1 3.8Å; V68-V316 HydrophobicContact CG1-CG2 4.33Å; V68-V316 HydrophobicContact CG2-CG1 4.16Å; T70-V316 HydrophobicContact CG2-CG2 4.02Å; S96-V316 WeakPolarHBondContact CB-O 3.37Å; S96-V316 PolarHBondContact O-N 2.83Å; F98-V316 HydrophobicContact CE1-CG2 4.34Å; I184-V316 HydrophobicContact CD1-CG2 4.16Å; I184-V316 HydrophobicContact CG2-CG1 4.21Å; I250-V316 HydrophobicContact CB-CG2 4.36Å; I250-V316 HydrophobicContact CD1-CG2 4.44Å; I250-V316 CarbonylContact O-C 3.54Å; I250-V316 VanDerWaalsContact O-CA 3.32Å; I250-V316 WeakPolarHBondContact O-CA 3.17Å; I252-V316 HydrophobicContact CD1-CG1 3.71Å; I252-V316 HydrophobicContact CG1-CG1 4.2Å; V316-V318 HydrophobicContact CG1-CG2 4.38Å
317	I	97.6	Very high	96.5	Very high	61 Å²	61	34.1 Å²	34.1	31%	0.313	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	119.3	-175.5	-58.3	170	0	0	0	108.2	I250 M251 I252 L274 D315	I250-I317 PolarHBondContact O-N 3.15Å; M251-I317 CarbonylContact C-O 3.59Å; M251-I317 VanDerWaalsContact CA-O 3.28Å; M251-I317 WeakPolarHBondContact CA-O 3.36Å; I252-I317 PolarHBondContact N-O 2.95Å; L274-I317 HydrophobicContact CD1-CD1 4.06Å; L274-I317 HydrophobicContact CD2-CD1 4.45Å; D315-I317 HydrophobicContact CB-CG1 4.36Å; D315-I317 PolarHBondContact O-N 3.16Å
318	V	97.4	Very high	96.6	Very high	22 Å²	22	39.5 Å²	39.5	13%	0.133	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	122	-177.4	-173.2	0	0	0	0	109.6	S66 V68 I188 I252 V316	S66-V318 WeakPolarHBondContact OG-CB 3.03Å; S66-V318 WeakPolarHBondContact OG-CG1 3.26Å; S66-V318 WeakPolarHBondContact OG-CG2 3.31Å; V68-V318 HydrophobicContact CG2-CG2 3.57Å; I188-V318 HydrophobicContact CG2-CG1 3.91Å; I252-V318 HydrophobicContact CB-CG2 4.26Å; I252-V318 HydrophobicContact CD1-CG2 4.36Å; I252-V318 WeakPolarHBondContact O-CA 3.44Å; V316-V318 HydrophobicContact CG1-CG2 4.38Å
319	N	96.2	Very high	96.7	Very high	77 Å²	77	40.1 Å²	40.1	41%	0.412	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	153.3	176.5	-65	-19	0	0	0	109.1	I252 S253 W254	I252-N319 PolarHBondContact O-N 3.27Å; S253-N319 CarbonylContact C-O 3.51Å; S253-N319 WeakPolarHBondContact CA-O 3.45Å; W254-N319 PolarHBondContact N-O 3.42Å
320	G	95	Very high	96.7	Very high	14 Å²	14	41.3 Å²	41.3	14%	0.144	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.6	158	173	0	0	0	0	0	114.1	W254	W254-G320 CarbonylContact O-C 3.55Å; W254-G320 WeakPolarHBondContact O-CA 3.25Å
321	N	96.1	Very high	96.8	Very high	35 Å²	35	44.6 Å²	44.6	19%	0.187	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	118.8	176	179.8	-9.2	0	0	0	106.9	D61 W254 M255 C256	D61-N321 WeakPolarHBondContact O-CA 3.4Å; W254-N321 PolarHBondContact O-N 3.24Å; M255-N321 HydrophobicContact CE-CB 3.95Å; M255-N321 HydrophobicContact SD-CB 3.75Å; C256-N321 PolarHBondContact N-O 3.31Å
322	A	97	Very high	96.8	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	136	173.2	0	0	0	0	0	110.5	R60 D61 F190 F193 C256 L258	R60-A322 CarbonylContact C-O 3.54Å; R60-A322 VanDerWaalsContact CA-O 3.27Å; R60-A322 WeakPolarHBondContact CA-O 3.41Å; D61-A322 PolarHBondContact N-O 3.1Å; D61-A322 PolarHBondContact O-N 3.06Å; F190-A322 HydrophobicContact CB-CB 4.15Å; F190-A322 HydrophobicContact CD1-CB 3.6Å; F190-A322 HydrophobicContact CD2-CB 3.55Å; F190-A322 HydrophobicContact CE1-CB 3.75Å; F190-A322 HydrophobicContact CE2-CB 3.72Å; F190-A322 HydrophobicContact CG-CB 3.49Å; F190-A322 VanDerWaalsContact CG-CB 3.49Å; F190-A322 HydrophobicContact CZ-CB 3.81Å; F193-A322 HydrophobicContact CD2-CB 3.92Å; F193-A322 HydrophobicContact CE2-CB 3.88Å; F193-A322 WeakPolarHBondContact CE2-O 3.49Å; C256-A322 CarbonylContact O-C 3.53Å; C256-A322 VanDerWaalsContact O-CA 3.28Å; C256-A322 WeakPolarHBondContact O-CA 3.49Å; L258-A322 HydrophobicContact CD1-CB 4.02Å; L258-A322 HydrophobicContact CG-CB 4.2Å
323	G	96.9	Very high	96.7	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.01	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	138.4	169.7	0	0	0	0	0	111.3	V59 C256 L258	V59-G323 WeakPolarHBondContact O-CA 3.41Å; C256-G323 PolarHBondContact O-N 3.39Å; L258-G323 WeakPolarHBondContact CB-O 3.1Å; L258-G323 PolarHBondContact N-O 2.98Å
324	K	97.1	Very high	96.6	Very high	93 Å²	93	52.6 Å²	52.6	40%	0.404	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	140.1	171.3	-167.7	170.8	-179.1	170.7	0	110.7	Q58 V59 F193 L258 N326	Q58-K324 CarbonylContact C-O 3.05Å; Q58-K324 WeakPolarHBondContact CA-O 3.04Å; Q58-K324 WeakPolarHBondContact CB-O 3.29Å; V59-K324 PolarHBondContact N-O 2.86Å; V59-K324 PolarHBondContact O-N 2.71Å; F193-K324 HydrophobicContact CD1-CB 3.79Å; F193-K324 HydrophobicContact CD1-CD 4.04Å; F193-K324 HydrophobicContact CE1-CB 3.65Å; F193-K324 HydrophobicContact CE2-CB 4.47Å; F193-K324 HydrophobicContact CG-CB 4.29Å; F193-K324 HydrophobicContact CG-CD 4.43Å; F193-K324 HydrophobicContact CZ-CB 4.01Å; L258-K324 HydrophobicContact CB-CB 4.04Å; L258-K324 HydrophobicContact CB-CD 4.24Å; L258-K324 HydrophobicContact CB-CG 4.14Å; L258-K324 HydrophobicContact CD1-CB 4.43Å; K324-N326 PolarHBondContact O-N 3.23Å
325	F	97.1	Very high	96.5	Very high	101 Å²	101	56.5 Å²	56.5	44%	0.443	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-51.6	134.7	177.9	173.3	-94.3	0	0	0	111.5	Y57 D259 T330	Y57-F325 AromaticContact CD2-CD2 3.86Å; Y57-F325 HydrophobicContact CD2-CD2 3.86Å; D259-F325 WeakPolarHBondContact OD1-CB 2.88Å; D259-F325 PolarHBondContact OD1-N 2.96Å; D259-F325 WeakPolarHBondContact OD2-CB 3.48Å; D259-F325 PolarHBondContact OD2-N 3Å; D259-F325 VanDerWaalsContact OD2-N 3.16Å; F325-T330 HydrophobicContact CE2-CG2 4.39Å; F325-T330 WeakPolarHBondContact CE2-OG1 2.88Å
326	N	96.8	Very high	96.3	Very high	59 Å²	59	57.1 Å²	57.1	32%	0.316	30%	0.303	S	S	.	.			trans	-143.8	139.6	171.9	-168.8	-67.1	0	0	0	110.5	Y57 V59 K324 I328 P329 T330	Y57-N326 PolarHBondContact O-N 2.79Å; V59-N326 HydrophobicContact CB-CB 4.34Å; V59-N326 HydrophobicContact CG2-CB 3.51Å; K324-N326 PolarHBondContact O-N 3.23Å; N326-I328 VanDerWaalsContact C-N 3.34Å; N326-I328 PolarHBondContact O-N 3.47Å; N326-I328 WeakPolarHBondContact OD1-CB 3.18Å; N326-I328 PolarHBondContact OD1-N 3.33Å; N326-P329 HydrophobicContact CB-CG 3.88Å; N326-P329 WeakPolarHBondContact O-CD 3.01Å; N326-P329 WeakPolarHBondContact O-CG 2.99Å; N326-P329 VanDerWaalsContact OD1-CD 3.3Å; N326-P329 WeakPolarHBondContact OD1-CD 3.36Å; N326-T330 WeakPolarHBondContact O-CB 3.48Å; N326-T330 PolarHBondContact O-N 2.96Å; N326-T330 PolarHBondContact O-OG1 2.66Å
327	M	96.2	Very high	96.1	Very high	111 Å²	111	57.5 Å²	57.5	55%	0.547	31%	0.307	S	S	.	.	H	α-helix	trans	-66	-35.1	-177.8	-170.3	63.7	81.3	0	0	112.8	T330 I331	M327-T330 WeakPolarHBondContact O-CB 3.25Å; M327-T330 PolarHBondContact O-N 2.88Å; M327-I331 HydrophobicContact CG-CD1 3.65Å; M327-I331 HydrophobicContact CG-CG1 4.15Å; M327-I331 WeakPolarHBondContact O-CG1 3.18Å; M327-I331 PolarHBondContact O-N 3.23Å; M327-I331 HydrophobicContact SD-CD1 4.12Å; M327-I331 HydrophobicContact SD-CG1 4.16Å
328	I	96.2	Very high	95.9	Very high	118 Å²	118	61.1 Å²	61.1	61%	0.605	32%	0.321	S	S	*	.	H	α-helix	trans	-61.6	-59	-176	-61.8	174.3	0	0	0	112.1	N326 T330 I331 I332	N326-I328 VanDerWaalsContact C-N 3.34Å; N326-I328 PolarHBondContact O-N 3.47Å; N326-I328 WeakPolarHBondContact OD1-CB 3.18Å; N326-I328 PolarHBondContact OD1-N 3.33Å; I328-T330 PolarHBondContact O-N 2.86Å; I328-I331 PolarHBondContact O-N 3.02Å; I328-I332 HydrophobicContact CG2-CD1 3.86Å; I328-I332 WeakPolarHBondContact O-CG1 3.37Å; I328-I332 PolarHBondContact O-N 3.25Å
329	P	95.9	Very high	95.7	Very high	25 Å²	25	64.6 Å²	64.6	16%	0.162	34%	0.342	C	S	.	.	H	α-helix	trans	-65.7	-28.6	178.7	29.2	-37	0	0	0	111.9	V59 N326 I332 N333	V59-P329 HydrophobicContact CG2-CG 4.03Å; N326-P329 HydrophobicContact CB-CG 3.88Å; N326-P329 WeakPolarHBondContact O-CD 3.01Å; N326-P329 WeakPolarHBondContact O-CG 2.99Å; N326-P329 VanDerWaalsContact OD1-CD 3.3Å; N326-P329 WeakPolarHBondContact OD1-CD 3.36Å; P329-I332 PolarHBondContact O-N 3.37Å; P329-N333 WeakPolarHBondContact O-CB 3.41Å; P329-N333 PolarHBondContact O-N 2.89Å; P329-N333 PolarHBondContact O-ND2 2.92Å
330	T	95.9	Very high	95.6	Very high	25 Å²	25	62.7 Å²	62.7	15%	0.153	34%	0.335	C	S	.	.	H	α-helix	trans	-61.1	-50.2	173.7	-57.5	0	0	0	0	111.5	F51 Y57 F325 N326 M327 I328 N333 M334	F51-T330 HydrophobicContact CE1-CG2 4.34Å; Y57-T330 WeakPolarHBondContact CA-OG1 3.11Å; Y57-T330 WeakPolarHBondContact CB-OG1 3.3Å; Y57-T330 PolarHBondContact O-OG1 3.4Å; F325-T330 HydrophobicContact CE2-CG2 4.39Å; F325-T330 WeakPolarHBondContact CE2-OG1 2.88Å; N326-T330 WeakPolarHBondContact O-CB 3.48Å; N326-T330 PolarHBondContact O-N 2.96Å; N326-T330 PolarHBondContact O-OG1 2.66Å; M327-T330 WeakPolarHBondContact O-CB 3.25Å; M327-T330 PolarHBondContact O-N 2.88Å; I328-T330 PolarHBondContact O-N 2.86Å; T330-N333 PolarHBondContact O-N 2.82Å; T330-M334 VanDerWaalsContact O-CB 3.3Å; T330-M334 WeakPolarHBondContact O-CB 3.17Å; T330-M334 PolarHBondContact O-N 2.93Å
331	I	96.9	Very high	95.4	Very high	91 Å²	91	63.4 Å²	63.4	47%	0.467	34%	0.336	S	S	.	.	H	α-helix	trans	-64.2	-44.6	178.5	-69.1	171.7	0	0	0	110.7	M327 I328 N333 M334 V335	M327-I331 HydrophobicContact CG-CD1 3.65Å; M327-I331 HydrophobicContact CG-CG1 4.15Å; M327-I331 WeakPolarHBondContact O-CG1 3.18Å; M327-I331 PolarHBondContact O-N 3.23Å; M327-I331 HydrophobicContact SD-CD1 4.12Å; M327-I331 HydrophobicContact SD-CG1 4.16Å; I328-I331 PolarHBondContact O-N 3.02Å; I331-N333 PolarHBondContact O-N 2.83Å; I331-M334 PolarHBondContact O-N 3.42Å; I331-V335 HydrophobicContact CG2-CG2 4.38Å; I331-V335 WeakPolarHBondContact O-CG2 3.32Å; I331-V335 PolarHBondContact O-N 2.81Å
332	I	96	Very high	95	Very high	106 Å²	106	63.4 Å²	63.4	54%	0.544	35%	0.345	S	S	.	.	H	α-helix	trans	-58.9	-47.7	179.4	-68.4	169.8	0	0	0	110.6	I328 P329 M334 V335 A336	I328-I332 HydrophobicContact CG2-CD1 3.86Å; I328-I332 WeakPolarHBondContact O-CG1 3.37Å; I328-I332 PolarHBondContact O-N 3.25Å; P329-I332 PolarHBondContact O-N 3.37Å; I332-M334 VanDerWaalsContact C-N 3.34Å; I332-M334 PolarHBondContact O-N 2.92Å; I332-V335 PolarHBondContact O-N 2.74Å; I332-A336 PolarHBondContact O-N 2.62Å
333	N	94.8	Very high	94.7	Very high	40 Å²	40	68.1 Å²	68.1	21%	0.214	37%	0.373	C	S	.	.	H	α-helix	trans	-70.1	-30.1	179.2	-74	-58.3	0	0	0	112.7	F51 A56 P329 T330 I331 A336 A337	F51-N333 HydrophobicContact CE1-CB 4.25Å; F51-N333 HydrophobicContact CE2-CB 4.47Å; F51-N333 HydrophobicContact CZ-CB 3.82Å; A56-N333 WeakPolarHBondContact CB-ND2 3.26Å; A56-N333 PolarHBondContact O-ND2 2.82Å; P329-N333 WeakPolarHBondContact O-CB 3.41Å; P329-N333 PolarHBondContact O-N 2.89Å; P329-N333 PolarHBondContact O-ND2 2.92Å; T330-N333 PolarHBondContact O-N 2.82Å; I331-N333 PolarHBondContact O-N 2.83Å; N333-A336 PolarHBondContact O-N 2.94Å; N333-A337 WeakPolarHBondContact O-CB 3.49Å; N333-A337 PolarHBondContact O-N 2.82Å
334	M	95.3	Very high	94.2	Very high	95 Å²	95	68.2 Å²	68.2	47%	0.468	37%	0.374	S	S	.	.	H	α-helix	trans	-67.4	-42.6	172.6	-174.3	179.3	-171.8	0	0	111.6	F51 T330 I331 I332 A337 F338	F51-M334 HydrophobicContact CZ-CB 4.47Å; T330-M334 VanDerWaalsContact O-CB 3.3Å; T330-M334 WeakPolarHBondContact O-CB 3.17Å; T330-M334 PolarHBondContact O-N 2.93Å; I331-M334 PolarHBondContact O-N 3.42Å; I332-M334 VanDerWaalsContact C-N 3.34Å; I332-M334 PolarHBondContact O-N 2.92Å; M334-A337 WeakPolarHBondContact O-CB 3.17Å; M334-A337 PolarHBondContact O-N 3.19Å; M334-F338 HydrophobicContact CE-CE2 3.42Å; M334-F338 VanDerWaalsContact CE-CE2 3.42Å; M334-F338 HydrophobicContact CE-CZ 3.54Å; M334-F338 HydrophobicContact CG-CD2 3.98Å; M334-F338 HydrophobicContact CG-CE2 3.48Å; M334-F338 VanDerWaalsContact CG-CE2 3.48Å; M334-F338 HydrophobicContact CG-CZ 4.2Å; M334-F338 WeakPolarHBondContact O-CD2 3.37Å; M334-F338 PolarHBondContact O-N 2.8Å; M334-F338 HydrophobicContact SD-CE2 4.09Å
335	V	96	Very high	93.8	Very high	83 Å²	83	67.1 Å²	67.1	50%	0.503	38%	0.375	S	S	.	.	H	α-helix	trans	-61.1	-46.3	173.2	171.1	0	0	0	0	110.3	I331 I332 A337 F338 T339	I331-V335 HydrophobicContact CG2-CG2 4.38Å; I331-V335 WeakPolarHBondContact O-CG2 3.32Å; I331-V335 PolarHBondContact O-N 2.81Å; I332-V335 PolarHBondContact O-N 2.74Å; V335-A337 VanDerWaalsContact C-N 3.29Å; V335-A337 PolarHBondContact O-N 2.83Å; V335-F338 PolarHBondContact O-N 2.71Å; V335-T339 HydrophobicContact CG1-CG2 4.4Å; V335-T339 WeakPolarHBondContact O-CG2 3.4Å; V335-T339 PolarHBondContact O-N 3.06Å; V335-T339 PolarHBondContact O-OG1 3.19Å; V335-T339 VanDerWaalsContact O-OG1 3.14Å
336	A	94.7	Very high	93.3	Very high	36 Å²	36	66.5 Å²	66.5	30%	0.298	38%	0.379	S	S	.	.	H	α-helix	trans	-60.1	-38.3	176.2	0	0	0	0	0	112.5	I332 N333 T339 S340	I332-A336 PolarHBondContact O-N 2.62Å; N333-A336 PolarHBondContact O-N 2.94Å; A336-T339 WeakPolarHBondContact CA-OG1 3.36Å; A336-T339 PolarHBondContact O-OG1 2.83Å; A336-S340 VanDerWaalsContact O-CB 3.23Å; A336-S340 WeakPolarHBondContact O-CB 3.18Å; A336-S340 PolarHBondContact O-N 2.85Å; A336-S340 PolarHBondContact O-OG 2.84Å
337	A	93.8	Very high	92.9	Very high	15 Å²	15	67.8 Å²	67.8	12%	0.124	39%	0.386	C	S	.	.	H	α-helix	trans	-63.1	-48.7	174.6	0	0	0	0	0	111.4	F46 N333 M334 V335 T339 S340 V341	F46-A337 HydrophobicContact CB-CB 4.07Å; F46-A337 HydrophobicContact CD1-CB 3.5Å; F46-A337 HydrophobicContact CD2-CB 4.13Å; F46-A337 HydrophobicContact CE1-CB 3.92Å; F46-A337 HydrophobicContact CG-CB 3.62Å; F46-A337 HydrophobicContact CZ-CB 4.42Å; N333-A337 WeakPolarHBondContact O-CB 3.49Å; N333-A337 PolarHBondContact O-N 2.82Å; M334-A337 WeakPolarHBondContact O-CB 3.17Å; M334-A337 PolarHBondContact O-N 3.19Å; V335-A337 VanDerWaalsContact C-N 3.29Å; V335-A337 PolarHBondContact O-N 2.83Å; A337-T339 PolarHBondContact O-N 3.44Å; A337-S340 PolarHBondContact O-N 3.49Å; A337-V341 WeakPolarHBondContact O-CG2 3.44Å; A337-V341 PolarHBondContact O-N 3.47Å; A337-V341 VanDerWaalsContact O-N 3.12Å
338	F	93	Very high	92.4	Very high	137 Å²	137	62.9 Å²	62.9	60%	0.601	36%	0.363	S	S	*	.	H	α-helix	trans	-64.7	-40.1	-179.9	-71.7	-49.9	0	0	0	113.4	M334 V335 S340 V341	M334-F338 HydrophobicContact CE-CE2 3.42Å; M334-F338 VanDerWaalsContact CE-CE2 3.42Å; M334-F338 HydrophobicContact CE-CZ 3.54Å; M334-F338 HydrophobicContact CG-CD2 3.98Å; M334-F338 HydrophobicContact CG-CE2 3.48Å; M334-F338 VanDerWaalsContact CG-CE2 3.48Å; M334-F338 HydrophobicContact CG-CZ 4.2Å; M334-F338 WeakPolarHBondContact O-CD2 3.37Å; M334-F338 PolarHBondContact O-N 2.8Å; M334-F338 HydrophobicContact SD-CE2 4.09Å; V335-F338 PolarHBondContact O-N 2.71Å; F338-S340 VanDerWaalsContact C-N 3.33Å; F338-V341 PolarHBondContact O-N 3.41Å
339	T	92.9	Very high	92	Very high	94 Å²	94	60 Å²	60	58%	0.577	35%	0.348	S	S	*	.	H	α-helix	trans	-66.9	-37.2	175.8	54.8	0	0	0	0	111.3	V335 A336 A337 V341 G342	V335-T339 HydrophobicContact CG1-CG2 4.4Å; V335-T339 WeakPolarHBondContact O-CG2 3.4Å; V335-T339 PolarHBondContact O-N 3.06Å; V335-T339 PolarHBondContact O-OG1 3.19Å; V335-T339 VanDerWaalsContact O-OG1 3.14Å; A336-T339 WeakPolarHBondContact CA-OG1 3.36Å; A336-T339 PolarHBondContact O-OG1 2.83Å; A337-T339 PolarHBondContact O-N 3.44Å; T339-V341 VanDerWaalsContact C-N 3.34Å; T339-V341 PolarHBondContact O-N 3.09Å; T339-G342 PolarHBondContact O-N 2.88Å
340	S	92.8	Very high	91.7	Very high	38 Å²	38	62.9 Å²	62.9	27%	0.266	36%	0.361	S	S	.	.	H	α-helix	trans	-67.7	-29.4	179.1	-61.6	0	0	0	0	113.7	F46 A336 A337 F338 G342 V343	F46-S340 VanDerWaalsContact CE2-CB 3.5Å; F46-S340 WeakPolarHBondContact CZ-OG 3.25Å; A336-S340 VanDerWaalsContact O-CB 3.23Å; A336-S340 WeakPolarHBondContact O-CB 3.18Å; A336-S340 PolarHBondContact O-N 2.85Å; A336-S340 PolarHBondContact O-OG 2.84Å; A337-S340 PolarHBondContact O-N 3.49Å; F338-S340 VanDerWaalsContact C-N 3.33Å; S340-G342 PolarHBondContact O-N 3.15Å; S340-V343 WeakPolarHBondContact O-CB 3.4Å; S340-V343 WeakPolarHBondContact O-CG2 3.49Å; S340-V343 PolarHBondContact O-N 3.19Å
341	V	91.8	Very high	91.2	Very high	29 Å²	29	63.6 Å²	63.6	18%	0.176	36%	0.364	C	S	.	.	H	α-helix	trans	-58.4	-29	171.8	173.8	0	0	0	0	111.3	Q39 I42 I43 A337 F338 T339 V343 G344	Q39-V341 HydrophobicContact CB-CG1 4.46Å; Q39-V341 HydrophobicContact CG-CG1 3.92Å; I42-V341 HydrophobicContact CG2-CG2 4.01Å; I43-V341 HydrophobicContact CG1-CG2 4.07Å; A337-V341 WeakPolarHBondContact O-CG2 3.44Å; A337-V341 PolarHBondContact O-N 3.47Å; A337-V341 VanDerWaalsContact O-N 3.12Å; F338-V341 PolarHBondContact O-N 3.41Å; T339-V341 VanDerWaalsContact C-N 3.34Å; T339-V341 PolarHBondContact O-N 3.09Å; V341-V343 PolarHBondContact O-N 2.95Å; V341-G344 PolarHBondContact O-N 3.25Å
342	G	88.4	Confident	90.8	Very high	35 Å²	35	60 Å²	60	36%	0.361	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-26.6	174.5	0	0	0	0	0	114	T339 S340 G344 T345	T339-G342 PolarHBondContact O-N 2.88Å; S340-G342 PolarHBondContact O-N 3.15Å; G342-G344 PolarHBondContact O-N 3.35Å; G342-T345 PolarHBondContact O-N 2.81Å; G342-T345 PolarHBondContact O-OG1 2.98Å
343	V	89.8	Confident	90.4	Very high	99 Å²	99	55.9 Å²	55.9	60%	0.6	32%	0.324	S	S	*	.	H	α-helix	trans	-62.4	-29.3	177.7	179.9	0	0	0	0	111.6	S340 V341 T345 V346	S340-V343 WeakPolarHBondContact O-CB 3.4Å; S340-V343 WeakPolarHBondContact O-CG2 3.49Å; S340-V343 PolarHBondContact O-N 3.19Å; V341-V343 PolarHBondContact O-N 2.95Å; V343-T345 PolarHBondContact O-N 2.85Å; V343-V346 PolarHBondContact O-N 3.3Å
344	G	87.1	Confident	90	Very high	2 Å²	2	58.7 Å²	58.7	2%	0.021	34%	0.34	C	S	.	.	H	α-helix	trans	-61.9	-26.5	176.1	0	0	0	0	0	113.6	V341 G342 L347 C348	V341-G344 PolarHBondContact O-N 3.25Å; G342-G344 PolarHBondContact O-N 3.35Å; G344-L347 PolarHBondContact O-N 3.43Å; G344-C348 WeakPolarHBondContact O-CB 3.37Å; G344-C348 PolarHBondContact O-N 2.9Å; G344-C348 PolarHBondContact O-SG 2.91Å
345	T	87.5	Confident	89.5	Confident	70 Å²	70	61.7 Å²	61.7	43%	0.429	35%	0.35	S	S	.	.	H	α-helix	trans	-70.6	-35.3	179.9	68	0	0	0	0	111.8	G342 V343 C348 D349	G342-T345 PolarHBondContact O-N 2.81Å; G342-T345 PolarHBondContact O-OG1 2.98Å; V343-T345 PolarHBondContact O-N 2.85Å; T345-C348 PolarHBondContact O-N 3.48Å; T345-D349 VanDerWaalsContact O-CB 3.32Å; T345-D349 WeakPolarHBondContact O-CB 3.34Å; T345-D349 PolarHBondContact O-N 3Å
346	V	88.4	Confident	89	Confident	89 Å²	89	59.6 Å²	59.6	54%	0.539	34%	0.336	S	S	.	.	H	α-helix	trans	-62.9	-45.6	175.9	-179.8	0	0	0	0	110.5	V343 D349 I350	V343-V346 PolarHBondContact O-N 3.3Å; V346-D349 PolarHBondContact O-N 3.32Å; V346-I350 HydrophobicContact CG1-CD1 4.44Å; V346-I350 WeakPolarHBondContact O-CG1 3.36Å; V346-I350 PolarHBondContact O-N 2.04Å; V346-I350 VanDerWaalsContact O-N 3.08Å
347	L	86.5	Confident	88.1	Confident	85 Å²	85	68.7 Å²	68.7	45%	0.445	37%	0.369	S	S	.	.	H	α-helix	trans	-62.9	-45	175.9	-177.9	65.7	0	0	0	111.3	V38 G344 D349 I350 I351	V38-L347 HydrophobicContact CG2-CD2 4.09Å; G344-L347 PolarHBondContact O-N 3.43Å; L347-D349 VanDerWaalsContact C-N 3.3Å; L347-D349 PolarHBondContact O-N 3.06Å; L347-I350 PolarHBondContact O-N 3.02Å; L347-I351 HydrophobicContact CD1-CD1 4.45Å; L347-I351 HydrophobicContact CG-CD1 4.12Å; L347-I351 VanDerWaalsContact O-CG1 3.31Å; L347-I351 WeakPolarHBondContact O-CG1 3.43Å; L347-I351 PolarHBondContact O-N 2.89Å; L347-I351 VanDerWaalsContact O-N 3.1Å
348	C	86.8	Confident	87.4	Confident	9 Å²	9	69 Å²	69	6%	0.061	37%	0.374	C	S	.	.	H	α-helix	trans	-64.3	-34.9	177.8	-68.2	0	0	0	0	112.5	N35 G344 T345 I351 L352	N35-C348 VanDerWaalsContact CA-SG 3.52Å; G344-C348 WeakPolarHBondContact O-CB 3.37Å; G344-C348 PolarHBondContact O-N 2.9Å; G344-C348 PolarHBondContact O-SG 2.91Å; T345-C348 PolarHBondContact O-N 3.48Å; C348-I351 PolarHBondContact O-N 2.9Å; C348-L352 WeakPolarHBondContact O-CB 3.04Å; C348-L352 PolarHBondContact O-N 3.03Å
349	D	88.4	Confident	87	Confident	58 Å²	58	63.1 Å²	63.1	31%	0.31	35%	0.35	S	S	.	.	H	α-helix	trans	-65.2	-43.6	175.8	-90.4	-23	0	0	0	111.7	T345 V346 L347 I351 L352 L353 K366	T345-D349 VanDerWaalsContact O-CB 3.32Å; T345-D349 WeakPolarHBondContact O-CB 3.34Å; T345-D349 PolarHBondContact O-N 3Å; V346-D349 PolarHBondContact O-N 3.32Å; L347-D349 VanDerWaalsContact C-N 3.3Å; L347-D349 PolarHBondContact O-N 3.06Å; D349-I351 VanDerWaalsContact C-N 3.31Å; D349-I351 PolarHBondContact O-N 3.43Å; D349-L352 PolarHBondContact O-N 2.84Å; D349-L353 VanDerWaalsContact O-CB 3.3Å; D349-L353 WeakPolarHBondContact O-CB 2.97Å; D349-L353 VanDerWaalsContact O-CG 3.26Å; D349-L353 WeakPolarHBondContact O-CG 3.36Å; D349-L353 PolarHBondContact O-N 3.09Å; D349-K366 IonicContact OD1-NZ 2.64Å; D349-K366 PolarHBondContact OD1-NZ 2.96Å; D349-K366 IonicContact OD2-NZ 3.48Å; D349-K366 PolarHBondContact OD2-NZ 3.42Å
350	I	88.4	Confident	86.5	Confident	84 Å²	84	64.8 Å²	64.8	43%	0.431	35%	0.351	S	S	.	.	H	α-helix	trans	-60.1	-44.5	175.2	-67.7	167.5	0	0	0	110.2	V346 L347 N354 F355	V346-I350 HydrophobicContact CG1-CD1 4.44Å; V346-I350 WeakPolarHBondContact O-CG1 3.36Å; V346-I350 PolarHBondContact O-N 2.04Å; V346-I350 VanDerWaalsContact O-N 3.08Å; L347-I350 PolarHBondContact O-N 3.02Å; I350-N354 WeakPolarHBondContact O-CB 3.44Å; I350-N354 PolarHBondContact O-N 2.96Å; I350-N354 PolarHBondContact O-ND2 3.22Å; I350-F355 HydrophobicContact CG2-CE2 4.21Å
351	I	86.9	Confident	86	Confident	41 Å²	41	69.7 Å²	69.7	21%	0.21	37%	0.37	C	S	.	.	H	α-helix	trans	-64.9	-47.8	178.6	-63.2	167.4	0	0	0	110.7	I31 I34 L347 C348 D349 L353 F355	I31-I351 HydrophobicContact CD1-CB 4.42Å; I31-I351 HydrophobicContact CD1-CG2 3.78Å; I34-I351 HydrophobicContact CD1-CG2 4.45Å; I34-I351 HydrophobicContact CG2-CD1 4Å; L347-I351 HydrophobicContact CD1-CD1 4.45Å; L347-I351 HydrophobicContact CG-CD1 4.12Å; L347-I351 VanDerWaalsContact O-CG1 3.31Å; L347-I351 WeakPolarHBondContact O-CG1 3.43Å; L347-I351 PolarHBondContact O-N 2.89Å; L347-I351 VanDerWaalsContact O-N 3.1Å; C348-I351 PolarHBondContact O-N 2.9Å; D349-I351 VanDerWaalsContact C-N 3.31Å; D349-I351 PolarHBondContact O-N 3.43Å; I351-L353 PolarHBondContact O-N 2.89Å; I351-F355 WeakPolarHBondContact O-CB 3.44Å; I351-F355 PolarHBondContact O-N 3.39Å
352	L	87.8	Confident	85.7	Confident	15 Å²	15	71.1 Å²	71.1	8%	0.079	37%	0.373	C	S	.	.	H	α-helix	trans	-60.8	-45.9	-178.2	177.1	70	0	0	0	112.4	V26 I31 C348 D349 L356 Y362	V26-L352 HydrophobicContact CG1-CD1 4.04Å; V26-L352 HydrophobicContact CG2-CD1 4.41Å; V26-L352 HydrophobicContact CG2-CD2 3.94Å; I31-L352 HydrophobicContact CD1-CB 4.35Å; I31-L352 HydrophobicContact CG1-CD1 3.98Å; C348-L352 WeakPolarHBondContact O-CB 3.04Å; C348-L352 PolarHBondContact O-N 3.03Å; D349-L352 PolarHBondContact O-N 2.84Å; L352-L356 HydrophobicContact CD1-CD1 4.28Å; L352-Y362 HydrophobicContact CD1-CD1 4.09Å; L352-Y362 HydrophobicContact CD1-CD2 3.69Å; L352-Y362 HydrophobicContact CD1-CE1 4.26Å; L352-Y362 HydrophobicContact CD1-CE2 3.85Å; L352-Y362 HydrophobicContact CD1-CG 3.82Å; L352-Y362 HydrophobicContact CG-CD2 4.3Å; L352-Y362 HydrophobicContact CG-CG 4.21Å
353	L	87	Confident	85.6	Confident	19 Å²	19	72.4 Å²	72.4	10%	0.099	37%	0.368	C	S	.	.	H	α-helix	trans	-85.2	-19.8	-171	-64.6	171.8	0	0	0	113.7	D349 I351 A359 K363 K366 F367	D349-L353 VanDerWaalsContact O-CB 3.3Å; D349-L353 WeakPolarHBondContact O-CB 2.97Å; D349-L353 VanDerWaalsContact O-CG 3.26Å; D349-L353 WeakPolarHBondContact O-CG 3.36Å; D349-L353 PolarHBondContact O-N 3.09Å; I351-L353 PolarHBondContact O-N 2.89Å; L353-A359 VanDerWaalsContact O-CB 3.26Å; L353-A359 WeakPolarHBondContact O-CB 3.37Å; L353-K363 HydrophobicContact CD2-CG 3.88Å; L353-K363 WeakPolarHBondContact O-CE 3.33Å; L353-K366 HydrophobicContact CD1-CD 4.1Å; L353-K366 HydrophobicContact CD2-CD 4.14Å; L353-F367 HydrophobicContact CD1-CE2 3.99Å; L353-F367 HydrophobicContact CD1-CZ 4.04Å; L353-F367 HydrophobicContact CD2-CE2 4.18Å
354	N	87.3	Confident	85.4	Confident	100 Å²	100	71.5 Å²	71.5	54%	0.535	37%	0.371	S	S	.	.	H	α-helix	trans	-118.5	-29.3	-174.6	-59.8	-66.7	0	0	0	114.5	I350	I350-N354 WeakPolarHBondContact O-CB 3.44Å; I350-N354 PolarHBondContact O-N 2.96Å; I350-N354 PolarHBondContact O-ND2 3.22Å
355	F	85.1	Confident	85.3	Confident	157 Å²	157	78.9 Å²	78.9	69%	0.689	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.6	-7.3	-167.2	-65.9	-84.6	0	0	0	114.9	I350 I351	I350-F355 HydrophobicContact CG2-CE2 4.21Å; I351-F355 WeakPolarHBondContact O-CB 3.44Å; I351-F355 PolarHBondContact O-N 3.39Å
356	L	84.6	Confident	85.3	Confident	39 Å²	39	79.1 Å²	79.1	20%	0.204	40%	0.398	C	S	.	.	S	Bend	trans	-91.3	141	174.3	-84.8	117	0	0	0	112.4	I31 L352 G358 A359 Y362	I31-L356 HydrophobicContact CD1-CD1 3.36Å; I31-L356 HydrophobicContact CG1-CD1 3.44Å; I31-L356 VanDerWaalsContact CG1-CD1 3.44Å; I31-L356 HydrophobicContact CG1-CD2 4.39Å; L352-L356 HydrophobicContact CD1-CD1 4.28Å; L356-G358 PolarHBondContact O-N 3Å; L356-A359 WeakPolarHBondContact O-CB 3.06Å; L356-A359 PolarHBondContact O-N 2.79Å; L356-Y362 HydrophobicContact CB-CE2 4.48Å
357	K	76.5	Confident	85.3	Confident	228 Å²	228	80.3 Å²	80.3	99%	0.991	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-14.3	176.7	-67	-175.3	177.9	-178.3	0	114.3
358	G	79.1	Confident	85.4	Confident	22 Å²	22	84.2 Å²	84.2	23%	0.227	41%	0.412	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.6	17	174.2	0	0	0	0	0	114.8	L356 E360 Q361 Y362	L356-G358 PolarHBondContact O-N 3Å; G358-E360 VanDerWaalsContact C-N 3.31Å; G358-E360 PolarHBondContact O-N 3.39Å; G358-Q361 WeakPolarHBondContact O-CB 3.01Å; G358-Q361 PolarHBondContact O-N 3.41Å; G358-Y362 WeakPolarHBondContact O-CD2 3.42Å; G358-Y362 PolarHBondContact O-N 3.36Å
359	A	83.2	Confident	85.3	Confident	12 Å²	12	93.1 Å²	93.1	10%	0.099	45%	0.453	C	S	.	.	H	α-helix	trans	-48.1	-46	-176.2	0	0	0	0	0	114	L353 L356 Q361 Y362 K363	L353-A359 VanDerWaalsContact O-CB 3.26Å; L353-A359 WeakPolarHBondContact O-CB 3.37Å; L356-A359 WeakPolarHBondContact O-CB 3.06Å; L356-A359 PolarHBondContact O-N 2.79Å; A359-Q361 VanDerWaalsContact C-N 3.3Å; A359-Q361 PolarHBondContact O-N 2.87Å; A359-Y362 PolarHBondContact O-N 3.27Å; A359-K363 WeakPolarHBondContact O-CG 3.5Å; A359-K363 PolarHBondContact O-N 3.4Å
360	E	82.5	Confident	85.2	Confident	129 Å²	129	96 Å²	96	60%	0.603	47%	0.472	S	S	*	.	H	α-helix	trans	-61.4	-36	-179.6	-65.4	-54.9	127.7	0	0	112.8	G358 Y362 K363 A364	G358-E360 VanDerWaalsContact C-N 3.31Å; G358-E360 PolarHBondContact O-N 3.39Å; E360-Y362 VanDerWaalsContact C-N 3.33Å; E360-Y362 PolarHBondContact O-N 2.98Å; E360-K363 PolarHBondContact O-N 2.02Å; E360-K363 IonicContact OE1-NZ 2.82Å; E360-K363 PolarHBondContact OE1-NZ 3.41Å; E360-A364 WeakPolarHBondContact O-CB 3.29Å; E360-A364 PolarHBondContact O-N 2.84Å
361	Q	83.7	Confident	84.7	Confident	142 Å²	142	95.1 Å²	95.1	66%	0.664	47%	0.474	S	S	*	.	H	α-helix	trans	-69.5	-32.8	175.2	-61.7	-179.1	-2.4	0	0	112.2	G358 A359 K365	G358-Q361 WeakPolarHBondContact O-CB 3.01Å; G358-Q361 PolarHBondContact O-N 3.41Å; A359-Q361 VanDerWaalsContact C-N 3.3Å; A359-Q361 PolarHBondContact O-N 2.87Å; Q361-K365 WeakPolarHBondContact O-CG 3.24Å; Q361-K365 PolarHBondContact O-N 2.93Å
362	Y	84.2	Confident	83.9	Confident	58 Å²	58	100.7 Å²	100.7	23%	0.227	50%	0.503	C	S	.	.	H	α-helix	trans	-74.5	-38.8	176	-63.2	-58.9	0	0	0	111.6	V26 L352 L356 G358 A359 E360 K365 K366	V26-Y362 HydrophobicContact CG1-CD1 4.23Å; V26-Y362 HydrophobicContact CG1-CE1 3.55Å; V26-Y362 HydrophobicContact CG2-CD1 4.08Å; V26-Y362 HydrophobicContact CG2-CE1 4.2Å; L352-Y362 HydrophobicContact CD1-CD1 4.09Å; L352-Y362 HydrophobicContact CD1-CD2 3.69Å; L352-Y362 HydrophobicContact CD1-CE1 4.26Å; L352-Y362 HydrophobicContact CD1-CE2 3.85Å; L352-Y362 HydrophobicContact CD1-CG 3.82Å; L352-Y362 HydrophobicContact CG-CD2 4.3Å; L352-Y362 HydrophobicContact CG-CG 4.21Å; L356-Y362 HydrophobicContact CB-CE2 4.48Å; G358-Y362 WeakPolarHBondContact O-CD2 3.42Å; G358-Y362 PolarHBondContact O-N 3.36Å; A359-Y362 PolarHBondContact O-N 3.27Å; E360-Y362 VanDerWaalsContact C-N 3.33Å; E360-Y362 PolarHBondContact O-N 2.98Å; Y362-K365 PolarHBondContact O-N 2.04Å; Y362-K366 VanDerWaalsContact O-CB 3.31Å; Y362-K366 WeakPolarHBondContact O-CB 3.48Å; Y362-K366 PolarHBondContact O-N 3.38Å
363	K	86.8	Confident	82.5	Confident	63 Å²	63	104.9 Å²	104.9	27%	0.274	53%	0.526	S	S	.	.	H	α-helix	trans	-59.4	-49.8	173	-71.4	176.3	-172.2	169.3	0	111.1	L353 A359 E360 K365 K366 F367	L353-K363 HydrophobicContact CD2-CG 3.88Å; L353-K363 WeakPolarHBondContact O-CE 3.33Å; A359-K363 WeakPolarHBondContact O-CG 3.5Å; A359-K363 PolarHBondContact O-N 3.4Å; E360-K363 PolarHBondContact O-N 2.02Å; E360-K363 IonicContact OE1-NZ 2.82Å; E360-K363 PolarHBondContact OE1-NZ 3.41Å; K363-K365 PolarHBondContact O-N 3.03Å; K363-K366 PolarHBondContact O-N 3.02Å; K363-F367 HydrophobicContact CB-CD2 4.19Å; K363-F367 HydrophobicContact CG-CD2 4.49Å; K363-F367 HydrophobicContact CG-CE2 4.42Å; K363-F367 WeakPolarHBondContact O-CD2 3.07Å; K363-F367 PolarHBondContact O-N 3.01Å
364	A	85.4	Confident	81.1	Confident	80 Å²	80	109 Å²	109	66%	0.661	55%	0.554	S	S	*	*	H	α-helix	trans	-62.2	-25	179.1	0	0	0	0	0	114.2	E360	E360-A364 WeakPolarHBondContact O-CB 3.29Å; E360-A364 PolarHBondContact O-N 2.84Å
365	K	85.6	Confident	79.5	Confident	156 Å²	156	111.8 Å²	111.8	68%	0.678	57%	0.568	S	S	*	*	H	α-helix	trans	-88.6	-22.4	175.2	-75	-175	179.8	-177.7	0	113.7	V24 Q361 Y362 K363	V24-K365 WeakPolarHBondContact CG2-O 3.22Å; Q361-K365 WeakPolarHBondContact O-CG 3.24Å; Q361-K365 PolarHBondContact O-N 2.93Å; Y362-K365 PolarHBondContact O-N 2.04Å; K363-K365 PolarHBondContact O-N 3.03Å
366	K	87.3	Confident	78	Confident	76 Å²	76	109.6 Å²	109.6	33%	0.33	56%	0.564	S	S	.	*	H	α-helix	trans	-94.3	-38.4	-176.8	-174.8	176.6	-177.7	175.2	0	112.2	D349 L353 Y362 K363	D349-K366 IonicContact OD1-NZ 2.64Å; D349-K366 PolarHBondContact OD1-NZ 2.96Å; D349-K366 IonicContact OD2-NZ 3.48Å; D349-K366 PolarHBondContact OD2-NZ 3.42Å; L353-K366 HydrophobicContact CD1-CD 4.1Å; L353-K366 HydrophobicContact CD2-CD 4.14Å; Y362-K366 VanDerWaalsContact O-CB 3.31Å; Y362-K366 WeakPolarHBondContact O-CB 3.48Å; Y362-K366 PolarHBondContact O-N 3.38Å; K363-K366 PolarHBondContact O-N 3.02Å
367	F	89.3	Confident	76.3	Confident	113 Å²	113	114.5 Å²	114.5	50%	0.496	59%	0.589	S	S	.	*			trans	-107.2	133.3	-177.1	-56.8	-71.5	0	0	0	110	L353 K363	L353-F367 HydrophobicContact CD1-CE2 3.99Å; L353-F367 HydrophobicContact CD1-CZ 4.04Å; L353-F367 HydrophobicContact CD2-CE2 4.18Å; K363-F367 HydrophobicContact CB-CD2 4.19Å; K363-F367 HydrophobicContact CG-CD2 4.49Å; K363-F367 HydrophobicContact CG-CE2 4.42Å; K363-F367 WeakPolarHBondContact O-CD2 3.07Å; K363-F367 PolarHBondContact O-N 3.01Å
368	E	88.3	Confident	74.6	Confident	168 Å²	168	112.9 Å²	112.9	79%	0.785	59%	0.585	S	S	*	*			trans	-108.4	110.2	168.1	-175.1	170.3	-174.2	0	0	106.3	V370	E368-V370 PolarHBondContact O-N 2.89Å
369	E	83.7	Confident	72.9	Confident	196 Å²	196	116.5 Å²	116.5	92%	0.916	61%	0.606	S	S	*	*			trans	-74.3	119.8	178	-69	-179	-177.5	0	0	108.7
370	V	86.5	Confident	70.9	Confident	118 Å²	118	122.6 Å²	122.6	72%	0.715	64%	0.637	S	S	*	*			trans	-107	124.7	174.8	-175.4	0	0	0	0	107.6	E368	E368-V370 PolarHBondContact O-N 2.89Å
371	S	77.2	Confident	68.8	Low	66 Å²	66	120 Å²	120	46%	0.462	65%	0.645	S	S	.	*			trans	-103.8	123.7	173.8	177	0	0	0	0	108.5	N373	S371-N373 PolarHBondContact O-N 3.01Å
372	D	69.9	Low	66.4	Low	157 Å²	157	121 Å²	121	84%	0.84	65%	0.654	S	S	*	*			trans	-78.7	7.6	177.2	-71.5	-29.7	0	0	0	112.8	P374	D372-P374 WeakPolarHBondContact O-CD 3.22Å
373	N	58.8	Low	64.1	Low	103 Å²	103	129.1 Å²	129.1	55%	0.551	69%	0.686	S	S	*	*			trans	-71.1	121.6	179.2	-82.6	-20.3	0	0	0	111	S371 L375 D376	S371-N373 PolarHBondContact O-N 3.01Å; N373-L375 PolarHBondContact O-N 3.17Å; N373-D376 PolarHBondContact O-N 3.34Å
374	P	58.1	Low	61.4	Low	106 Å²	106	133.7 Å²	133.7	69%	0.688	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.9	-9.6	-178.3	-20.5	31	0	0	0	115	D372	D372-P374 WeakPolarHBondContact O-CD 3.22Å
375	L	54.7	Low	59.2	Low	159 Å²	159	135.1 Å²	135.1	83%	0.832	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.6	-13.5	-173.2	-68.7	171.2	0	0	0	114.3	N373	N373-L375 PolarHBondContact O-N 3.17Å
376	D	52.5	Low	56.6	Low	111 Å²	111	136.2 Å²	136.2	59%	0.594	72%	0.721	S	S	*	*	S	Bend	trans	-92.7	-5.7	178.4	-79.3	-33.6	0	0	0	113.7	N373 Q378	N373-D376 PolarHBondContact O-N 3.34Å; D376-Q378 VanDerWaalsContact C-N 3.29Å; D376-Q378 PolarHBondContact O-N 2.82Å
377	I	48.7	Very low	54.6	Low	142 Å²	142	140.4 Å²	140.4	73%	0.728	75%	0.746	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.4	-16.6	-176.4	-60.5	173.3	0	0	0	112.2
378	Q	41.8	Very low	51.7	Low	194 Å²	194	140.1 Å²	140.1	91%	0.907	76%	0.758	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.9	-4.6	-175	-87.9	-175.1	-13.3	0	0	116.3	D376	D376-Q378 VanDerWaalsContact C-N 3.29Å; D376-Q378 PolarHBondContact O-N 2.82Å
379	S	42.8	Very low	49.4	Very low	98 Å²	98	139.2 Å²	139.2	69%	0.685	76%	0.758	S	S	*	*	S	Bend	trans	-102.6	-16	-173.2	-176.4	0	0	0	0	116.5
380	N	40.6	Very low	46.8	Very low	139 Å²	139	140.2 Å²	140.2	74%	0.743	75%	0.753	S	S	*	*			trans	-121.4	49.8	-171	-80.1	-14.7	0	0	0	114.1	L382	N380-L382 VanDerWaalsContact C-N 3.29Å; N380-L382 PolarHBondContact O-N 2.65Å
381	G	39.1	Very low	44.4	Very low	75 Å²	75	142.9 Å²	142.9	77%	0.773	76%	0.758	S	S	*	*			trans	-85.2	59.7	163.8	0	0	0	0	0	112.3
382	L	33	Very low	42.1	Very low	162 Å²	162	145.2 Å²	145.2	85%	0.848	77%	0.769	S	S	*	*			trans	-173.7	94.9	163.5	-101.8	144.8	0	0	0	109.5	N380 H384	N380-L382 VanDerWaalsContact C-N 3.29Å; N380-L382 PolarHBondContact O-N 2.65Å; L382-H384 PolarHBondContact O-N 3.39Å
383	Y	37.1	Very low	40	Very low	229 Å²	229	146.8 Å²	146.8	90%	0.898	77%	0.771	S	S	*	*			trans	-68	99.1	169.1	-81.9	-90.6	0	0	0	109.5
384	H	28.6	Very low	38.6	Very low	159 Å²	159	151.9 Å²	151.9	74%	0.736	79%	0.789	S	S	*	*			trans	-127.3	123.6	155.9	-145.1	-57.8	0	0	0	108.2	L382 Q386	L382-H384 PolarHBondContact O-N 3.39Å; H384-Q386 PolarHBondContact O-N 2.98Å; H384-Q386 VanDerWaalsContact O-N 3.1Å
385	S	39	Very low	37.1	Very low	110 Å²	110	156.6 Å²	156.6	77%	0.769	80%	0.798	S	S	*	*			trans	-56.4	109.9	176.2	34.9	0	0	0	0	111.1
386	Q	31.1	Very low	36	Very low	179 Å²	179	154.2 Å²	154.2	84%	0.836	80%	0.795	S	S	*	*			trans	-136.6	125.1	159.3	-79	-158.3	-18.6	0	0	111.4	H384 S388	H384-Q386 PolarHBondContact O-N 2.98Å; H384-Q386 VanDerWaalsContact O-N 3.1Å; Q386-S388 PolarHBondContact O-N 2.97Å
387	L	45.5	Very low	34.8	Very low	164 Å²	164	154.4 Å²	154.4	86%	0.859	81%	0.805	S	S	*	*			trans	-49.1	130.1	161.4	-85.6	86.1	0	0	0	109.5
388	S	29.8	Very low	33.9	Very low	107 Å²	107	154.4 Å²	154.4	75%	0.748	81%	0.806	S	S	*	*			trans	-128.9	96.1	158.1	-172.8	0	0	0	0	109.2	Q386 R390	Q386-S388 PolarHBondContact O-N 2.97Å; S388-R390 PolarHBondContact O-N 2.77Å; S388-R390 VanDerWaalsContact O-N 3.15Å
389	L	40	Very low	33.4	Very low	150 Å²	150	150.3 Å²	150.3	79%	0.785	80%	0.799	S	S	*	*			trans	-60	101.7	157	-99.5	143.9	0	0	0	107.5
390	R	29.2	Very low	32.6	Very low	217 Å²	217	149.3 Å²	149.3	82%	0.819	81%	0.805	S	S	*	*			trans	-97.4	95.6	168.9	-144.8	176.5	-172	177.9	1.9	108.8	S388 T392	S388-R390 PolarHBondContact O-N 2.77Å; S388-R390 VanDerWaalsContact O-N 3.15Å; R390-T392 PolarHBondContact O-N 3.32Å
391	H	34.6	Very low	32.2	Very low	174 Å²	174	147.2 Å²	147.2	81%	0.806	81%	0.807	S	S	*	*			trans	-64.9	114.4	160.6	-101.9	-74.1	0	0	0	108.1
392	T	29.8	Very low	31.7	Very low	115 Å²	115	153.9 Å²	153.9	71%	0.706	82%	0.815	S	S	*	*			trans	-120.3	122	162.9	37.5	0	0	0	0	109.4	R390	R390-T392 PolarHBondContact O-N 3.32Å
393	H	25.9	Very low	31.5	Very low	189 Å²	189	151.6 Å²	151.6	88%	0.875	81%	0.812	S	S	*	*			trans	-54	129.4	-179.6	-90.7	-98.3	0	0	0	112.2	K395	H393-K395 PolarHBondContact O-N 3.17Å
394	F	29.3	Very low	31.4	Very low	211 Å²	211	148.1 Å²	148.1	93%	0.925	81%	0.808	S	S	*	*			trans	-63.4	124.1	159	-104.8	-92.5	0	0	0	109.3
395	K	26.7	Very low	31.3	Very low	204 Å²	204	147.2 Å²	147.2	89%	0.887	81%	0.808	S	S	*	*			trans	-125.1	117.6	156.5	-125	180	-177.2	-178.1	0	108	H393	H393-K395 PolarHBondContact O-N 3.17Å
396	S	31.3	Very low	30.8	Very low	110 Å²	110	150 Å²	150	77%	0.769	81%	0.809	S	S	*	*			trans	-65.5	137.5	175.9	170.6	0	0	0	0	111.5
397	S	27.2	Very low	30.9	Very low	115 Å²	115	151.4 Å²	151.4	80%	0.804	81%	0.812	S	S	*	*			trans	-150.2	92.3	143.6	58.9	0	0	0	0	109
398	D	28.8	Very low	30.5	Very low	141 Å²	141	152.8 Å²	152.8	75%	0.754	84%	0.836	S	S	*	*			trans	10.3	146.3	137.3	-137.4	-23.5	0	0	0	120.9
399	S	31.4	Very low	30.5	Very low	109 Å²	109	155.1 Å²	155.1	76%	0.762	84%	0.84	S	S	*	*			trans	83.4	122	149.3	-54.9	0	0	0	0	120.2
400	G	27.1	Very low	30	Very low	77 Å²	77	155.3 Å²	155.3	79%	0.794	84%	0.843	S	S	*	*			trans	141.6	87.1	147.8	0	0	0	0	0	115.6
401	A	31.2	Very low	30.1	Very low	95 Å²	95	151.9 Å²	151.9	79%	0.785	84%	0.844	S	S	*	*			trans	-57.9	143.6	155.9	0	0	0	0	0	110.5
402	F	28.4	Very low	29.8	Very low	214 Å²	214	150.6 Å²	150.6	94%	0.939	85%	0.847	S	S	*	*			trans	-150.9	136.6	148.1	-103.5	-75.9	0	0	0	111.7
403	S	29.1	Very low	29.8	Very low	115 Å²	115	152.8 Å²	152.8	80%	0.804	86%	0.855	S	S	*	*			trans	-73	161	-168.9	-62.4	0	0	0	0	115.6
404	I	35.1	Very low	30.1	Very low	155 Å²	155	150.4 Å²	150.4	80%	0.795	85%	0.854	S	S	*	*			trans	-49.9	134.5	152.7	-68.3	160.1	0	0	0	110.6
405	D	27	Very low	30.1	Very low	140 Å²	140	146.1 Å²	146.1	75%	0.749	85%	0.849	S	S	*	*			trans	-166.9	136.2	134.7	-102.1	-23.7	0	0	0	114.4
406	H	29.1	Very low	30.4	Very low	169 Å²	169	141.6 Å²	141.6	78%	0.782	85%	0.846	S	S	*	*			trans	41	117.6	152.9	-82.1	-75.5	0	0	0	122.1
407	F	32.9	Very low	30.3	Very low	208 Å²	208	144.3 Å²	144.3	91%	0.912	85%	0.853	S	S	*	*			trans	-104.3	138.1	144.1	-95.8	-89.7	0	0	0	109.6
408	S	36.5	Very low	30.6	Very low	193 Å²	193	146.9 Å²	146.9	100%	1.35	86%	0.857	S	S	*	*			trans	-56.9	0	177.7	-57.2	0	0	0	0	115.4

Retrieved 408 of 408 residues in 505.6 ms (Link to these results)

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