A0A077Z1B3_TRITR Loading...

Acid ceramidase

AlphaFold DB , UniProt , Accession A0A077Z1B3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 396 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.8	Very low	39.3	Very low	203 Å²	203	116.4 Å²	116.4	100%	1	59%	0.593	S	S	*	*				0	114	0	-150.4	167.2	84.1	0	0	105.6	M3 F6	M1-M3 PolarHBondContact O-N 3.41Å; M1-F6 HydrophobicContact CE-CD2 3.79Å; M1-F6 HydrophobicContact CE-CE2 4.35Å
2	D	37.8	Very low	39.6	Very low	119 Å²	119	110.8 Å²	110.8	64%	0.636	59%	0.586	S	S	*	*			trans	-64.1	121.4	-166.4	-149.7	-7	0	0	0	109.8	T4 L5	D2-T4 VanDerWaalsContact CG-OG1 3.27Å; D2-T4 PolarHBondContact O-N 2.89Å; D2-T4 VanDerWaalsContact O-N 3.15Å; D2-T4 PolarHBondContact OD1-OG1 3.12Å; D2-L5 HydrophobicContact CB-CB 4.45Å; D2-L5 WeakPolarHBondContact O-CB 3.2Å; D2-L5 PolarHBondContact O-N 3.07Å
3	M	32.5	Very low	39.6	Very low	147 Å²	147	112.5 Å²	112.5	72%	0.724	59%	0.594	S	S	*	*	H	α-helix	trans	-62.4	-28.4	-168.1	-147.6	163.3	62.8	0	0	111.1	M1 W7	M1-M3 PolarHBondContact O-N 3.41Å; M3-W7 PolarHBondContact O-N 3.44Å
4	T	37.4	Very low	39.6	Very low	91 Å²	91	107.1 Å²	107.1	56%	0.558	57%	0.566	S	S	*	*	H	α-helix	trans	-61.9	-34	170.3	32.5	0	0	0	0	114.1	D2 T8	D2-T4 VanDerWaalsContact CG-OG1 3.27Å; D2-T4 PolarHBondContact O-N 2.89Å; D2-T4 VanDerWaalsContact O-N 3.15Å; D2-T4 PolarHBondContact OD1-OG1 3.12Å; T4-T8 WeakPolarHBondContact O-CG2 3.23Å; T4-T8 PolarHBondContact O-N 3.24Å; T4-T8 PolarHBondContact O-OG1 2.83Å
5	L	37.6	Very low	39.8	Very low	116 Å²	116	105.9 Å²	105.9	61%	0.607	58%	0.577	S	S	*	*	H	α-helix	trans	-76.9	-31.5	-178.6	-151.9	80.3	0	0	0	112.1	D2 T8 T9	D2-L5 HydrophobicContact CB-CB 4.45Å; D2-L5 WeakPolarHBondContact O-CB 3.2Å; D2-L5 PolarHBondContact O-N 3.07Å; L5-T8 WeakPolarHBondContact CA-OG1 3.46Å; L5-T8 PolarHBondContact O-OG1 2.91Å; L5-T8 VanDerWaalsContact O-OG1 3.08Å; L5-T9 PolarHBondContact O-N 2.84Å; L5-T9 PolarHBondContact O-OG1 3.03Å
6	F	41.9	Very low	40.1	Very low	114 Å²	114	104.4 Å²	104.4	50%	0.5	58%	0.583	S	S	.	*	H	α-helix	trans	-70.8	-39.9	177.9	-166.4	-98.4	0	0	0	111.9	M1 T9 L10	M1-F6 HydrophobicContact CE-CD2 3.79Å; M1-F6 HydrophobicContact CE-CE2 4.35Å; F6-T9 PolarHBondContact O-OG1 2.91Å; F6-L10 WeakPolarHBondContact O-CB 3.44Å; F6-L10 PolarHBondContact O-N 2.89Å
7	W	35.7	Very low	40.2	Very low	132 Å²	132	104.9 Å²	104.9	50%	0.5	59%	0.585	S	S	.	*	H	α-helix	trans	-72.5	-36.6	178.2	-72.7	112.5	0	0	0	113.2	M3 L10 M11 L331	M3-W7 PolarHBondContact O-N 3.44Å; W7-L10 HydrophobicContact CE3-CD2 4.26Å; W7-L10 HydrophobicContact CZ3-CD2 4.08Å; W7-L10 PolarHBondContact O-N 3.26Å; W7-M11 WeakPolarHBondContact O-CB 3.21Å; W7-M11 VanDerWaalsContact O-CG 3.31Å; W7-M11 WeakPolarHBondContact O-CG 3.33Å; W7-M11 PolarHBondContact O-N 3.34Å; W7-L331 HydrophobicContact CZ3-CD1 4.38Å
8	T	44.1	Very low	41	Very low	90 Å²	90	113.2 Å²	113.2	55%	0.552	61%	0.605	S	S	*	*	H	α-helix	trans	-67.8	-37.2	176.6	43.2	0	0	0	0	112.3	T4 L5 G12	T4-T8 WeakPolarHBondContact O-CG2 3.23Å; T4-T8 PolarHBondContact O-N 3.24Å; T4-T8 PolarHBondContact O-OG1 2.83Å; L5-T8 WeakPolarHBondContact CA-OG1 3.46Å; L5-T8 PolarHBondContact O-OG1 2.91Å; L5-T8 VanDerWaalsContact O-OG1 3.08Å; T8-G12 PolarHBondContact O-N 3.15Å
9	T	44	Very low	41.6	Very low	84 Å²	84	110.2 Å²	110.2	52%	0.515	59%	0.589	S	S	.	*	H	α-helix	trans	-71.4	-37.7	173.5	31.2	0	0	0	0	112.9	L5 F6 G12 L13	L5-T9 PolarHBondContact O-N 2.84Å; L5-T9 PolarHBondContact O-OG1 3.03Å; F6-T9 PolarHBondContact O-OG1 2.91Å; T9-G12 PolarHBondContact O-N 2.93Å; T9-L13 PolarHBondContact O-N 2.83Å
10	L	41.2	Very low	42.6	Very low	69 Å²	69	106.1 Å²	106.1	36%	0.361	57%	0.569	S	S	.	*	H	α-helix	trans	-68.5	-40.6	176.6	-165	71.5	0	0	0	112.4	F6 W7 L14	F6-L10 WeakPolarHBondContact O-CB 3.44Å; F6-L10 PolarHBondContact O-N 2.89Å; W7-L10 HydrophobicContact CE3-CD2 4.26Å; W7-L10 HydrophobicContact CZ3-CD2 4.08Å; W7-L10 PolarHBondContact O-N 3.26Å; L10-L14 WeakPolarHBondContact O-CG 3.33Å; L10-L14 PolarHBondContact O-N 3Å
11	M	41.8	Very low	43.4	Very low	115 Å²	115	101 Å²	101	57%	0.567	54%	0.542	S	S	*	.	H	α-helix	trans	-66.5	-38.1	174.4	-72.2	-131.5	-148.9	0	0	112.4	W7 L13 L14 A15	W7-M11 WeakPolarHBondContact O-CB 3.21Å; W7-M11 VanDerWaalsContact O-CG 3.31Å; W7-M11 WeakPolarHBondContact O-CG 3.33Å; W7-M11 PolarHBondContact O-N 3.34Å; M11-L13 PolarHBondContact O-N 3.24Å; M11-L14 PolarHBondContact O-N 2.76Å; M11-A15 PolarHBondContact O-N 3.05Å
12	G	42	Very low	44.4	Very low	50 Å²	50	94 Å²	94	52%	0.515	51%	0.511	S	S	.	.	H	α-helix	trans	-64.6	-34.6	178.8	0	0	0	0	0	114	T8 T9	T8-G12 PolarHBondContact O-N 3.15Å; T9-G12 PolarHBondContact O-N 2.93Å
13	L	39.8	Very low	45.5	Very low	132 Å²	132	91.9 Å²	91.9	69%	0.691	50%	0.502	S	S	*	.	H	α-helix	trans	-76.3	-29.4	176.7	-90.1	151.2	0	0	0	113.3	T9 M11	T9-L13 PolarHBondContact O-N 2.83Å; M11-L13 PolarHBondContact O-N 3.24Å
14	L	39.1	Very low	47.1	Very low	37 Å²	37	86.8 Å²	86.8	19%	0.194	48%	0.478	C	S	.	.	H	α-helix	trans	-78.9	-27.5	178.2	-71.9	168.8	0	0	0	112.9	L10 M11 A16 L19 L331	L10-L14 WeakPolarHBondContact O-CG 3.33Å; L10-L14 PolarHBondContact O-N 3Å; M11-L14 PolarHBondContact O-N 2.76Å; L14-A16 VanDerWaalsContact C-N 3.3Å; L14-A16 PolarHBondContact O-N 3.23Å; L14-L19 HydrophobicContact CD2-CD1 3.68Å; L14-L331 HydrophobicContact CD1-CD1 4.36Å; L14-L331 HydrophobicContact CD1-CD2 4.23Å; L14-L331 HydrophobicContact CD1-CG 4.2Å
15	A	42.7	Very low	48.5	Very low	89 Å²	89	88.1 Å²	88.1	74%	0.736	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-20.7	178	0	0	0	0	0	113.9	M11	M11-A15 PolarHBondContact O-N 3.05Å
16	A	44.7	Very low	50	Low	82 Å²	82	87 Å²	87	68%	0.678	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-14.9	-178.1	0	0	0	0	0	114	L14	L14-A16 VanDerWaalsContact C-N 3.3Å; L14-A16 PolarHBondContact O-N 3.23Å
17	N	42.5	Very low	51.2	Low	113 Å²	113	84.9 Å²	84.9	60%	0.604	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.9	139.7	173.3	-78.6	-43.3	0	0	0	108.7	L19	N17-L19 HydrophobicContact CB-CD1 3.98Å; N17-L19 HydrophobicContact CB-CG 4.14Å; N17-L19 PolarHBondContact O-N 3.49Å
18	R	53.6	Low	53	Low	254 Å²	254	82.3 Å²	82.3	96%	0.958	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	55.9	174.2	-65.9	-176.2	178.9	-169.8	0.2	111.6	S20	R18-S20 PolarHBondContact O-N 2.88Å
19	L	52.9	Low	54.5	Low	56 Å²	56	80.7 Å²	80.7	29%	0.293	46%	0.464	S	S	.	.			trans	-75.4	115.4	174.1	-77.3	156.1	0	0	0	107.4	L14 N17 T23 P330	L14-L19 HydrophobicContact CD2-CD1 3.68Å; N17-L19 HydrophobicContact CB-CD1 3.98Å; N17-L19 HydrophobicContact CB-CG 4.14Å; N17-L19 PolarHBondContact O-N 3.49Å; L19-T23 WeakPolarHBondContact CA-OG1 3.32Å; L19-P330 HydrophobicContact CB-CB 4.39Å; L19-P330 HydrophobicContact CB-CG 4.42Å; L19-P330 WeakPolarHBondContact O-CB 3.36Å; L19-P330 WeakPolarHBondContact O-CG 3.37Å
20	S	60.9	Low	56.2	Low	28 Å²	28	77.9 Å²	77.9	20%	0.196	45%	0.451	C	S	.	.			trans	-106.5	165.1	163.1	64.8	0	0	0	0	109.6	R18 T22 T23 L24	R18-S20 PolarHBondContact O-N 2.88Å; S20-T22 PolarHBondContact O-N 3.34Å; S20-T22 PolarHBondContact OG-OG1 2.81Å; S20-T23 PolarHBondContact N-OG1 3.17Å; S20-T23 PolarHBondContact O-N 3.23Å; S20-T23 PolarHBondContact O-OG1 3.44Å; S20-L24 PolarHBondContact O-N 3.35Å
21	A	59.8	Low	58.6	Low	0 Å²	0	79.4 Å²	79.4	0%	0	46%	0.455	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-21.6	175.5	0	0	0	0	0	113.8	T23 G30 D333 P363 W394	A21-T23 VanDerWaalsContact C-N 3.31Å; A21-G30 PolarHBondContact O-N 3.19Å; A21-D333 HydrophobicContact CB-CB 3.86Å; A21-D333 WeakPolarHBondContact CB-O 3.32Å; A21-P363 HydrophobicContact CB-CG 4.44Å; A21-W394 HydrophobicContact CB-CH2 3.66Å; A21-W394 HydrophobicContact CB-CZ2 3.8Å
22	T	60.9	Low	61.2	Low	55 Å²	55	75.5 Å²	75.5	34%	0.337	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-12	174.3	55.8	0	0	0	0	113.9	S20 P337 L340	S20-T22 PolarHBondContact O-N 3.34Å; S20-T22 PolarHBondContact OG-OG1 2.81Å; T22-P337 HydrophobicContact CG2-CB 4.21Å; T22-L340 HydrophobicContact CG2-CD1 3.92Å
23	T	61.4	Low	63.8	Low	75 Å²	75	74.7 Å²	74.7	46%	0.46	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.8	-1.9	-177.3	61.6	0	0	0	0	113.8	L19 S20 A21	L19-T23 WeakPolarHBondContact CA-OG1 3.32Å; S20-T23 PolarHBondContact N-OG1 3.17Å; S20-T23 PolarHBondContact O-N 3.23Å; S20-T23 PolarHBondContact O-OG1 3.44Å; A21-T23 VanDerWaalsContact C-N 3.31Å
24	L	65.3	Low	66.5	Low	41 Å²	41	69 Å²	69	22%	0.215	39%	0.393	C	S	.	.	S	Bend	trans	-64.5	150	173.2	-74.3	169.9	0	0	0	110.8	S20 T29 W394	S20-L24 PolarHBondContact O-N 3.35Å; L24-T29 WeakPolarHBondContact O-CG2 3.35Å; L24-W394 HydrophobicContact CD1-CH2 3.07Å; L24-W394 HydrophobicContact CD1-CZ2 3.48Å; L24-W394 VanDerWaalsContact CD1-CZ2 3.48Å; L24-W394 HydrophobicContact CD1-CZ3 3.98Å; L24-W394 HydrophobicContact CG-CH2 4.49Å
25	V	67.2	Low	69.2	Low	118 Å²	118	70.9 Å²	70.9	72%	0.715	42%	0.421	S	S	*	.	P	Polyproline II helix	trans	-68.5	141.3	-178.9	-171.2	0	0	0	0	109.6	Y28	V25-Y28 PolarHBondContact O-N 2.9Å
26	P	67.9	Low	71.6	Confident	93 Å²	93	71.9 Å²	71.9	60%	0.604	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.5	144.3	170.1	-29.6	36	0	0	0	112.2	T29	P26-T29 HydrophobicContact CG-CG2 4.21Å
27	P	67	Low	73.8	Confident	69 Å²	69	70.4 Å²	70.4	45%	0.448	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	cis	-89.5	7.1	11.3	36.6	-37.3	0	0	0	114.9	P392	P27-P392 HydrophobicContact CB-CB 3.55Å; P27-P392 HydrophobicContact CB-CG 3.54Å; P27-P392 HydrophobicContact CG-CB 3.66Å; P27-P392 HydrophobicContact CG-CG 4.21Å
28	Y	73.6	Confident	76.1	Confident	79 Å²	79	69.3 Å²	69.3	31%	0.31	41%	0.405	S	S	.	.	S	Bend	trans	-94.1	9.8	-174.4	-58.7	-78.8	0	0	0	113.7	V25 G30 C393 W394	V25-Y28 PolarHBondContact O-N 2.9Å; Y28-G30 PolarHBondContact O-N 3.33Å; Y28-C393 WeakPolarHBondContact CE1-O 3.48Å; Y28-W394 HydrophobicContact CD1-CD2 4.3Å; Y28-W394 HydrophobicContact CD1-CG 4.14Å; Y28-W394 WeakPolarHBondContact O-CZ2 3.38Å; Y28-W394 PolarHBondContact O-NE1 2.85Å
29	T	75.4	Confident	78.1	Confident	55 Å²	55	60.4 Å²	60.4	34%	0.337	38%	0.375	S	S	.	.	S	Bend	trans	-57.3	130.5	163.7	31.5	0	0	0	0	110.5	L24 P26	L24-T29 WeakPolarHBondContact O-CG2 3.35Å; P26-T29 HydrophobicContact CG-CG2 4.21Å
30	G	80.9	Confident	80.3	Confident	25 Å²	25	60.2 Å²	60.2	26%	0.258	37%	0.371	S	S	.	.			trans	-54.6	141.3	169.8	0	0	0	0	0	112.3	A21 Y28 K362	A21-G30 PolarHBondContact O-N 3.19Å; Y28-G30 PolarHBondContact O-N 3.33Å; G30-K362 CarbonylContact C-O 3.47Å; G30-K362 WeakPolarHBondContact CA-O 3.4Å
31	K	91.5	Very high	82	Confident	101 Å²	101	63.2 Å²	63.2	44%	0.439	39%	0.39	S	S	.	.	B	Isolated β-bridge	trans	-129.8	111.3	179.3	-173.7	-173.9	179	-162.5	0	109.9	L33 E36 S361 K362	K31-L33 HydrophobicContact CD-CD2 4.08Å; K31-L33 HydrophobicContact CG-CD2 4.37Å; K31-E36 VanDerWaalsContact CE-CD 3.49Å; K31-E36 WeakPolarHBondContact CE-OE1 3.4Å; K31-E36 WeakPolarHBondContact CE-OE2 3.23Å; K31-E36 IonicContact NZ-OE1 3.19Å; K31-E36 IonicContact NZ-OE2 3.39Å; K31-E36 PolarHBondContact NZ-OE2 3.38Å; K31-S361 CarbonylContact O-C 3.59Å; K31-S361 WeakPolarHBondContact O-CA 3.25Å; K31-S361 VanDerWaalsContact O-CB 3.25Å; K31-S361 WeakPolarHBondContact O-CB 3.31Å; K31-K362 PolarHBondContact N-O 3.03Å; K31-K362 PolarHBondContact O-N 2.84Å
32	C	95.2	Very high	83.7	Confident	33 Å²	33	64 Å²	64	22%	0.223	40%	0.395	C	S	.	.			trans	-86	122.3	172.7	176	0	0	0	0	110.8	C341	C32-C341 VanDerWaalsContact CA-SG 3.6Å; C32-C341 HydrophobicContact CB-CB 3.83Å; C32-C341 WeakPolarHBondContact CB-SG 3.44Å; C32-C341 WeakPolarHBondContact SG-CA 3.41Å; C32-C341 WeakPolarHBondContact SG-CB 3.39Å; C32-C341 CovalentContact SG-SG 2.05Å; C32-C341 PolarHBondContact SG-SG 2.89Å
33	L	96.7	Very high	85.3	Confident	34 Å²	34	64.3 Å²	64.3	18%	0.178	40%	0.403	C	S	.	.			trans	-85.3	-9.2	-177.5	-60.2	179.9	0	0	0	113.6	K31 G35 E36 I39 T357 S360 S361	K31-L33 HydrophobicContact CD-CD2 4.08Å; K31-L33 HydrophobicContact CG-CD2 4.37Å; L33-G35 PolarHBondContact O-N 2.88Å; L33-E36 WeakPolarHBondContact O-CB 3.27Å; L33-E36 PolarHBondContact O-N 3.42Å; L33-I39 HydrophobicContact CD1-CD1 4.07Å; L33-T357 HydrophobicContact CB-CG2 3.81Å; L33-S360 WeakPolarHBondContact CD1-O 3Å; L33-S361 PolarHBondContact N-OG 3.3Å
34	V	97	Very high	86.9	Confident	12 Å²	12	66.9 Å²	66.9	7%	0.073	41%	0.41	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	127	178.1	172.6	0	0	0	0	109.7	C341 K344 L345 T357 V358	V34-C341 VanDerWaalsContact CG2-SG 3.53Å; V34-K344 HydrophobicContact CB-CD 4.19Å; V34-K344 HydrophobicContact CB-CG 4.35Å; V34-K344 HydrophobicContact CG1-CB 4.3Å; V34-K344 HydrophobicContact CG1-CD 4.28Å; V34-K344 HydrophobicContact CG1-CG 3.98Å; V34-K344 WeakPolarHBondContact O-CE 3.26Å; V34-K344 PolarHBondContact O-NZ 3.21Å; V34-L345 HydrophobicContact CG1-CB 4.24Å; V34-L345 HydrophobicContact CG1-CD1 4.2Å; V34-L345 HydrophobicContact CG2-CB 4.23Å; V34-L345 HydrophobicContact CG2-CD1 4.24Å; V34-T357 HydrophobicContact CG2-CG2 3.98Å; V34-V358 HydrophobicContact CG2-CG2 3.88Å
35	G	95.3	Very high	88.4	Confident	76 Å²	76	74.2 Å²	74.2	78%	0.784	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.2	0.9	-176.4	0	0	0	0	0	115.4	L33	L33-G35 PolarHBondContact O-N 2.88Å
36	E	94.6	Very high	89.8	Confident	111 Å²	111	69.3 Å²	69.3	52%	0.519	41%	0.412	S	S	.	.	S	Bend	trans	-92.1	8.7	176	-61	-168.8	-169.6	0	0	113.7	K31 L33	K31-E36 VanDerWaalsContact CE-CD 3.49Å; K31-E36 WeakPolarHBondContact CE-OE1 3.4Å; K31-E36 WeakPolarHBondContact CE-OE2 3.23Å; K31-E36 IonicContact NZ-OE1 3.19Å; K31-E36 IonicContact NZ-OE2 3.39Å; K31-E36 PolarHBondContact NZ-OE2 3.38Å; L33-E36 WeakPolarHBondContact O-CB 3.27Å; L33-E36 PolarHBondContact O-N 3.42Å
37	G	91.3	Very high	91.2	Very high	50 Å²	50	69.4 Å²	69.4	52%	0.515	40%	0.403	S	S	.	.			trans	104.5	163.4	-174.6	0	0	0	0	0	112.9
38	S	89.9	Confident	92.7	Very high	91 Å²	91	66.7 Å²	66.7	64%	0.636	39%	0.385	S	S	*	.			trans	-75.5	129.9	180	-172.4	0	0	0	0	111.1	Y40	S38-Y40 PolarHBondContact OG-N 3.47Å; S38-Y40 PolarHBondContact OG-O 3.01Å
39	I	96.1	Very high	93.9	Very high	66 Å²	66	68.2 Å²	68.2	34%	0.338	40%	0.399	S	S	.	.			trans	-106.1	5.7	169.3	62.2	166.4	0	0	0	112.2	L33 Y356 S360	L33-I39 HydrophobicContact CD1-CD1 4.07Å; I39-Y356 HydrophobicContact CD1-CD1 3.88Å; I39-Y356 HydrophobicContact CD1-CE1 3.84Å; I39-Y356 HydrophobicContact CG1-CD1 3.93Å; I39-Y356 HydrophobicContact CG1-CE1 4.09Å; I39-S360 WeakPolarHBondContact CD1-OG 3.5Å
40	Y	98	Very high	95	Very high	53 Å²	53	71.1 Å²	71.1	21%	0.208	40%	0.403	C	S	.	.			trans	-114.5	139	-178.4	178.8	-86.2	0	0	0	110.3	S38 F352 A353 Y356 L374 E383 Y385	S38-Y40 PolarHBondContact OG-N 3.47Å; S38-Y40 PolarHBondContact OG-O 3.01Å; Y40-F352 HydrophobicContact CE1-CB 4.45Å; Y40-F352 HydrophobicContact CE2-CB 4.28Å; Y40-A353 HydrophobicContact CD1-CB 3.75Å; Y40-A353 HydrophobicContact CG-CB 4Å; Y40-Y356 HydrophobicContact CD2-CD1 4.36Å; Y40-Y356 HydrophobicContact CD2-CG 4.06Å; Y40-L374 HydrophobicContact CD2-CD1 4.28Å; Y40-L374 HydrophobicContact CE2-CD1 3.74Å; Y40-E383 VanDerWaalsContact OH-CD 3.3Å; Y40-E383 PolarHBondContact OH-OE1 3.32Å; Y40-E383 PolarHBondContact OH-OE2 3.22Å; Y40-Y385 HydrophobicContact CE2-CE2 4.09Å
41	P	96.7	Very high	95.8	Very high	91 Å²	91	71.7 Å²	71.7	59%	0.591	40%	0.399	S	S	*	.	S	Bend	cis	-72.9	152.6	-2.1	31.4	-35.4	0	0	0	112.1
42	P	95.8	Very high	96.1	Very high	17 Å²	17	70.2 Å²	70.2	11%	0.11	40%	0.399	C	S	.	.	P	Polyproline II helix	trans	-64.3	167.9	173.4	-21.6	36.7	0	0	0	111.9	A46 Y356 Y385	P42-A46 HydrophobicContact CB-CB 4.23Å; P42-Y356 HydrophobicContact CG-CD1 4.36Å; P42-Y356 HydrophobicContact CG-CD2 4.33Å; P42-Y356 HydrophobicContact CG-CE1 3.61Å; P42-Y356 HydrophobicContact CG-CE2 3.58Å; P42-Y356 WeakPolarHBondContact CG-OH 3.37Å; P42-Y385 HydrophobicContact CB-CD1 3.92Å; P42-Y385 HydrophobicContact CB-CE1 4.31Å; P42-Y385 HydrophobicContact CB-CG 4.33Å; P42-Y385 HydrophobicContact CG-CD1 3.66Å; P42-Y385 HydrophobicContact CG-CD2 4.05Å; P42-Y385 HydrophobicContact CG-CE1 3.91Å; P42-Y385 HydrophobicContact CG-CE2 4.3Å; P42-Y385 HydrophobicContact CG-CG 3.72Å
43	A	94.9	Very high	96.3	Very high	60 Å²	60	68.7 Å²	68.7	50%	0.496	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-57.8	143.1	174.9	0	0	0	0	0	111.7	K45 A46	A43-K45 HydrophobicContact CB-CG 4.08Å; A43-K45 PolarHBondContact O-N 2.66Å; A43-A46 VanDerWaalsContact O-CB 3.3Å; A43-A46 WeakPolarHBondContact O-CB 3.02Å; A43-A46 PolarHBondContact O-N 3.34Å
44	E	94.7	Very high	96.3	Very high	130 Å²	130	68 Å²	68	61%	0.607	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-51.8	-37.1	-176	-166.1	64.9	-165.8	0	0	113.4	A46 K47	E44-A46 PolarHBondContact O-N 3Å; E44-K47 WeakPolarHBondContact O-CB 3.48Å; E44-K47 PolarHBondContact O-N 2.97Å; E44-K47 WeakPolarHBondContact OE1-CD 3.3Å; E44-K47 IonicContact OE1-NZ 2.6Å; E44-K47 PolarHBondContact OE1-NZ 3.24Å; E44-K47 WeakPolarHBondContact OE2-CE 3.46Å; E44-K47 IonicContact OE2-NZ 2.62Å; E44-K47 PolarHBondContact OE2-NZ 3.48Å
45	K	96	Very high	96.4	Very high	194 Å²	194	68.4 Å²	68.4	84%	0.843	39%	0.386	S	S	*	.	G	3₁₀ helix	trans	-60.3	-16.7	177.3	66.2	173.6	-178	177.9	0	114.9	A43	A43-K45 HydrophobicContact CB-CG 4.08Å; A43-K45 PolarHBondContact O-N 2.66Å
46	A	97.4	Very high	96.5	Very high	16 Å²	16	68.3 Å²	68.3	13%	0.132	37%	0.367	C	S	.	.	G	3₁₀ helix	trans	-85.9	-16.2	176.5	0	0	0	0	0	111.9	P42 A43 E44 Y385 I386	P42-A46 HydrophobicContact CB-CB 4.23Å; A43-A46 VanDerWaalsContact O-CB 3.3Å; A43-A46 WeakPolarHBondContact O-CB 3.02Å; A43-A46 PolarHBondContact O-N 3.34Å; E44-A46 PolarHBondContact O-N 3Å; A46-Y385 HydrophobicContact CB-CD1 4.39Å; A46-Y385 CarbonylContact O-C 3.14Å; A46-Y385 VanDerWaalsContact O-CA 3.24Å; A46-Y385 WeakPolarHBondContact O-CA 3.45Å; A46-I386 PolarHBondContact O-N 2.89Å
47	K	97.7	Very high	96.7	Very high	94 Å²	94	66.2 Å²	66.2	41%	0.409	36%	0.359	S	S	.	.	B	Isolated β-bridge	trans	-64.7	149.1	179.9	-71.3	-172.2	-174.3	163.1	0	111.4	E44 Y385	E44-K47 WeakPolarHBondContact O-CB 3.48Å; E44-K47 PolarHBondContact O-N 2.97Å; E44-K47 WeakPolarHBondContact OE1-CD 3.3Å; E44-K47 IonicContact OE1-NZ 2.6Å; E44-K47 PolarHBondContact OE1-NZ 3.24Å; E44-K47 WeakPolarHBondContact OE2-CE 3.46Å; E44-K47 IonicContact OE2-NZ 2.62Å; E44-K47 PolarHBondContact OE2-NZ 3.48Å; K47-Y385 HydrophobicContact CG-CD1 4.1Å; K47-Y385 HydrophobicContact CG-CE1 3.74Å
48	V	98.4	Very high	97	Very high	12 Å²	12	66.8 Å²	66.8	7%	0.073	35%	0.354	C	S	.	.			trans	-106.2	131.2	-176.2	172.9	0	0	0	0	110.6	V186 I187 N188 T384 I386	V48-V186 HydrophobicContact CB-CG1 4.49Å; V48-V186 HydrophobicContact CG1-CG1 3.94Å; V48-V186 HydrophobicContact CG2-CB 4.27Å; V48-V186 HydrophobicContact CG2-CG1 3.67Å; V48-I187 VanDerWaalsContact CG1-CA 3.41Å; V48-N188 HydrophobicContact CG1-CB 4.27Å; V48-N188 VanDerWaalsContact CG1-N 3.25Å; V48-N188 PolarHBondContact O-ND2 2.78Å; V48-T384 HydrophobicContact CB-CG2 4.35Å; V48-T384 HydrophobicContact CG2-CG2 3.82Å; V48-T384 WeakPolarHBondContact CG2-O 3.46Å; V48-T384 PolarHBondContact N-O 3Å; V48-I386 HydrophobicContact CG2-CD1 4.33Å; V48-I386 HydrophobicContact CG2-CG1 3.78Å
49	D	97.5	Very high	97.4	Very high	112 Å²	112	63 Å²	63	60%	0.599	33%	0.327	S	S	*	.			trans	-65.6	147.9	178.8	-67.8	-31.4	0	0	0	112.7	N188	D49-N188 PolarHBondContact O-N 2.94Å
50	W	98.5	Very high	97.5	Very high	115 Å²	115	62.3 Å²	62.3	44%	0.436	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	136	177.7	-76.7	85.7	0	0	0	111.9	N188 E190 K200 L382	W50-N188 CarbonylContact C-O 3.47Å; W50-N188 WeakPolarHBondContact CA-O 3.33Å; W50-N188 HydrophobicContact CD2-CB 3.49Å; W50-N188 VanDerWaalsContact CD2-CB 3.49Å; W50-N188 HydrophobicContact CE3-CB 3.66Å; W50-N188 HydrophobicContact CG-CB 3.99Å; W50-N188 HydrophobicContact CH2-CB 3.98Å; W50-N188 HydrophobicContact CZ2-CB 3.87Å; W50-N188 HydrophobicContact CZ3-CB 3.9Å; W50-E190 HydrophobicContact CE3-CB 4.16Å; W50-E190 HydrophobicContact CZ3-CB 4.25Å; W50-K200 HydrophobicContact CH2-CB 3.9Å; W50-K200 HydrophobicContact CH2-CD 3.67Å; W50-K200 HydrophobicContact CH2-CG 4.02Å; W50-K200 HydrophobicContact CZ3-CB 3.93Å; W50-K200 HydrophobicContact CZ3-CD 3.96Å; W50-K200 HydrophobicContact CZ3-CG 3.9Å; W50-L382 HydrophobicContact CH2-CB 4.29Å; W50-L382 HydrophobicContact CH2-CD2 4.08Å; W50-L382 HydrophobicContact CH2-CG 4.42Å
51	H	98.6	Very high	97.5	Very high	37 Å²	37	64.3 Å²	64.3	17%	0.171	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	156.3	172.9	-64.8	-93.3	0	0	0	110	I66 Y70 N188 I189 E190	H51-I66 HydrophobicContact CB-CD1 3.73Å; H51-I66 HydrophobicContact CB-CG1 3.83Å; H51-Y70 AromaticContact CE1-CE2 3.74Å; H51-Y70 AromaticContact NE2-CE2 3.65Å; H51-Y70 AromaticContact NE2-CZ 3.96Å; H51-Y70 PolarHBondContact NE2-OH 3.29Å; H51-N188 PolarHBondContact N-O 2.82Å; H51-I189 CarbonylContact O-C 3.59Å; H51-I189 WeakPolarHBondContact O-CA 3.25Å; H51-E190 PolarHBondContact O-N 2.93Å
52	V	98.3	Very high	97.5	Very high	71 Å²	71	61.6 Å²	61.6	43%	0.43	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	135.5	177.9	176.3	0	0	0	0	109.5	E190 K192	V52-E190 WeakPolarHBondContact CA-O 3.45Å; V52-E190 HydrophobicContact CG2-CB 4.48Å; V52-K192 HydrophobicContact CG1-CB 4.44Å; V52-K192 HydrophobicContact CG1-CD 3.88Å; V52-K192 HydrophobicContact CG1-CG 4.16Å
53	V	98.5	Very high	97.7	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	114.7	165.7	173	0	0	0	0	108.7	R62 W63 I66 I189 E190 W191 K192	V53-R62 HydrophobicContact CG1-CB 4.06Å; V53-W63 HydrophobicContact CG2-CD2 4.41Å; V53-W63 HydrophobicContact CG2-CE3 4.35Å; V53-W63 HydrophobicContact CG2-CH2 4.31Å; V53-W63 HydrophobicContact CG2-CZ2 4.35Å; V53-W63 HydrophobicContact CG2-CZ3 4.3Å; V53-I66 HydrophobicContact CG2-CD1 3.76Å; V53-I189 HydrophobicContact CB-CG2 3.94Å; V53-I189 HydrophobicContact CG2-CG2 3.58Å; V53-E190 PolarHBondContact N-O 2.72Å; V53-W191 HydrophobicContact CB-CD2 4.27Å; V53-W191 HydrophobicContact CB-CE3 3.78Å; V53-W191 HydrophobicContact CB-CZ3 4.04Å; V53-W191 HydrophobicContact CG1-CD2 4.49Å; V53-W191 HydrophobicContact CG1-CE3 3.54Å; V53-W191 HydrophobicContact CG1-CH2 4.48Å; V53-W191 HydrophobicContact CG1-CZ3 3.51Å; V53-W191 HydrophobicContact CG2-CZ3 4.48Å; V53-K192 PolarHBondContact O-N 3.28Å
54	Q	98.2	Very high	97.8	Very high	21 Å²	21	61.5 Å²	61.5	10%	0.098	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	106.6	-178.4	-162.5	65.1	30.3	0	0	110.6	D56 L57 R62 E195	Q54-D56 VanDerWaalsContact C-N 3.33Å; Q54-D56 VanDerWaalsContact CG-OD1 3.29Å; Q54-D56 WeakPolarHBondContact CG-OD1 3.35Å; Q54-D56 PolarHBondContact NE2-OD1 3.35Å; Q54-D56 PolarHBondContact O-N 2.77Å; Q54-L57 HydrophobicContact CB-CD1 3.84Å; Q54-L57 HydrophobicContact CB-CG 3.87Å; Q54-L57 HydrophobicContact CG-CD1 4.42Å; Q54-L57 HydrophobicContact CG-CG 4.02Å; Q54-L57 WeakPolarHBondContact O-CB 3.41Å; Q54-L57 PolarHBondContact O-N 3.18Å; Q54-R62 WeakPolarHBondContact O-CG 3.45Å; Q54-E195 VanDerWaalsContact NE2-N 3.15Å; Q54-E195 PolarHBondContact OE1-OE1 2.85Å
55	L	97.9	Very high	97.9	Very high	19 Å²	19	59.3 Å²	59.3	10%	0.099	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-25.7	-173.3	-68.4	173.5	0	0	0	113.7	L57 R62 W191 K192 Y193 V198 T258	L55-L57 VanDerWaalsContact C-N 3.31Å; L55-R62 PolarHBondContact O-NE 3.17Å; L55-R62 PolarHBondContact O-NH2 3.3Å; L55-W191 HydrophobicContact CD1-CB 4.38Å; L55-W191 HydrophobicContact CD2-CE3 3.72Å; L55-W191 HydrophobicContact CD2-CZ3 4.13Å; L55-W191 HydrophobicContact CG-CE3 4.36Å; L55-K192 WeakPolarHBondContact CB-O 3.41Å; L55-K192 WeakPolarHBondContact CG-O 3.43Å; L55-K192 PolarHBondContact N-O 3.44Å; L55-Y193 HydrophobicContact CB-CD2 4.07Å; L55-V198 HydrophobicContact CD1-CG2 4.18Å; L55-T258 HydrophobicContact CD1-CG2 4.38Å
56	D	97.2	Very high	98	Very high	74 Å²	74	50.2 Å²	50.2	40%	0.396	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-9	175.1	48.9	-55.7	0	0	0	113.7	Q54 Y193 N194	Q54-D56 VanDerWaalsContact C-N 3.33Å; Q54-D56 VanDerWaalsContact CG-OD1 3.29Å; Q54-D56 WeakPolarHBondContact CG-OD1 3.35Å; Q54-D56 PolarHBondContact NE2-OD1 3.35Å; Q54-D56 PolarHBondContact O-N 2.77Å; D56-Y193 HydrophobicContact CB-CD2 4.01Å; D56-Y193 HydrophobicContact CB-CE2 3.92Å; D56-Y193 WeakPolarHBondContact OD1-CA 3.3Å; D56-N194 PolarHBondContact OD1-N 2.84Å
57	L	98.2	Very high	98.1	Very high	67 Å²	67	49.5 Å²	49.5	35%	0.351	26%	0.261	S	S	.	.	S	Bend	trans	-71.4	152.5	165.4	-67.6	-179.8	0	0	0	111.1	Q54 L55 Q61 R62	Q54-L57 HydrophobicContact CB-CD1 3.84Å; Q54-L57 HydrophobicContact CB-CG 3.87Å; Q54-L57 HydrophobicContact CG-CD1 4.42Å; Q54-L57 HydrophobicContact CG-CG 4.02Å; Q54-L57 WeakPolarHBondContact O-CB 3.41Å; Q54-L57 PolarHBondContact O-N 3.18Å; L55-L57 VanDerWaalsContact C-N 3.31Å; L57-Q61 HydrophobicContact CB-CB 4.32Å; L57-Q61 HydrophobicContact CD1-CB 4.41Å; L57-R62 HydrophobicContact CB-CG 4.26Å; L57-R62 PolarHBondContact O-NE 3.47Å; L57-R62 PolarHBondContact O-NH2 2.64Å
58	P	98.3	Very high	98	Very high	62 Å²	62	48 Å²	48	40%	0.403	26%	0.262	S	S	.	.			trans	-50.9	139.4	167	-25.6	34.8	0	0	0	110.7	S60 Q61	P58-S60 PolarHBondContact O-N 3.4Å; P58-Q61 HydrophobicContact CB-CG 4.41Å; P58-Q61 PolarHBondContact O-N 2.99Å
59	P	98	Very high	98	Very high	12 Å²	12	51 Å²	51	8%	0.078	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-47.4	-40.1	-179.4	-30.4	35.6	0	0	0	114	Q61 R62 H110 P111 E114 E115	P59-Q61 PolarHBondContact O-N 3.17Å; P59-Q61 VanDerWaalsContact O-N 3.08Å; P59-R62 PolarHBondContact O-N 3.47Å; P59-H110 WeakPolarHBondContact CG-NE2 3.49Å; P59-P111 HydrophobicContact CB-CB 3.92Å; P59-P111 HydrophobicContact CG-CB 3.65Å; P59-E114 HydrophobicContact CB-CB 3.69Å; P59-E115 HydrophobicContact CB-CG 3.96Å; P59-E115 WeakPolarHBondContact O-CG 3.29Å
60	S	97.6	Very high	98	Very high	51 Å²	51	47 Å²	47	36%	0.357	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-64.1	-9.7	178.5	58.4	0	0	0	0	115.3	P58 S118	P58-S60 PolarHBondContact O-N 3.4Å; S60-S118 VanDerWaalsContact O-CB 3.22Å; S60-S118 WeakPolarHBondContact O-CB 3.42Å; S60-S118 PolarHBondContact O-OG 2.77Å
61	Q	98.3	Very high	98	Very high	95 Å²	95	46.8 Å²	46.8	44%	0.444	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-110	-18.3	-179.5	-60.9	-176.6	19	0	0	113.7	L57 P58 P59 W63 L64	L57-Q61 HydrophobicContact CB-CB 4.32Å; L57-Q61 HydrophobicContact CD1-CB 4.41Å; P58-Q61 HydrophobicContact CB-CG 4.41Å; P58-Q61 PolarHBondContact O-N 2.99Å; P59-Q61 PolarHBondContact O-N 3.17Å; P59-Q61 VanDerWaalsContact O-N 3.08Å; Q61-W63 VanDerWaalsContact C-N 3.29Å; Q61-W63 PolarHBondContact O-N 3.46Å; Q61-L64 HydrophobicContact CB-CD1 4.29Å; Q61-L64 HydrophobicContact CG-CD1 4.41Å; Q61-L64 PolarHBondContact O-N 2.91Å
62	R	98.4	Very high	98	Very high	35 Å²	35	49.7 Å²	49.7	13%	0.132	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-32.1	-168.1	-69.1	-176.4	-175.1	150.2	0.2	114.9	V53 Q54 L55 L57 P59 P111 E115	V53-R62 HydrophobicContact CG1-CB 4.06Å; Q54-R62 WeakPolarHBondContact O-CG 3.45Å; L55-R62 PolarHBondContact O-NE 3.17Å; L55-R62 PolarHBondContact O-NH2 3.3Å; L57-R62 HydrophobicContact CB-CG 4.26Å; L57-R62 PolarHBondContact O-NE 3.47Å; L57-R62 PolarHBondContact O-NH2 2.64Å; P59-R62 PolarHBondContact O-N 3.47Å; R62-P111 VanDerWaalsContact NH1-CB 3.34Å; R62-E115 VanDerWaalsContact CD-OE1 3.26Å; R62-E115 WeakPolarHBondContact CD-OE1 3.4Å; R62-E115 IonicContact CZ-OE1 2.93Å; R62-E115 IonicContact NE-OE1 3.83Å; R62-E115 IonicContact NH1-OE1 3.35Å; R62-E115 PolarHBondContact NH1-OE1 3.33Å
63	W	98.2	Very high	97.9	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.6	-0.6	-172.9	-68.6	95.8	0	0	0	114	V53 Q61 S65 I66 A67 E115 I119 I189 W191 F207 I208	V53-W63 HydrophobicContact CG2-CD2 4.41Å; V53-W63 HydrophobicContact CG2-CE3 4.35Å; V53-W63 HydrophobicContact CG2-CH2 4.31Å; V53-W63 HydrophobicContact CG2-CZ2 4.35Å; V53-W63 HydrophobicContact CG2-CZ3 4.3Å; Q61-W63 VanDerWaalsContact C-N 3.29Å; Q61-W63 PolarHBondContact O-N 3.46Å; W63-S65 VanDerWaalsContact C-N 3.32Å; W63-S65 PolarHBondContact O-N 3.23Å; W63-I66 HydrophobicContact CE3-CB 4.2Å; W63-I66 HydrophobicContact CE3-CD1 3.75Å; W63-I66 HydrophobicContact CE3-CG2 4.21Å; W63-I66 HydrophobicContact CZ3-CD1 3.82Å; W63-I66 HydrophobicContact CZ3-CG2 4.41Å; W63-I66 PolarHBondContact O-N 3.19Å; W63-A67 WeakPolarHBondContact O-CB 3.4Å; W63-A67 PolarHBondContact O-N 3.44Å; W63-E115 PolarHBondContact NE1-OE2 2.82Å; W63-I119 HydrophobicContact CB-CD1 4Å; W63-I119 HydrophobicContact CB-CG1 3.64Å; W63-I119 HydrophobicContact CD2-CD1 4.24Å; W63-I119 HydrophobicContact CG-CD1 3.91Å; W63-I119 HydrophobicContact CG-CG1 4.13Å; W63-I189 HydrophobicContact CH2-CD1 3.74Å; W63-I189 HydrophobicContact CZ3-CD1 4.04Å; W63-W191 HydrophobicContact CH2-CH2 4.09Å; W63-W191 HydrophobicContact CH2-CZ2 4.35Å; W63-W191 AromaticContact CZ2-CH2 3.55Å; W63-W191 HydrophobicContact CZ2-CH2 3.55Å; W63-W191 HydrophobicContact CZ2-CZ2 4.25Å; W63-W191 HydrophobicContact CZ2-CZ3 4.2Å; W63-F207 WeakPolarHBondContact CH2-O 3.33Å; W63-I208 HydrophobicContact CD2-CG2 4.18Å; W63-I208 HydrophobicContact CG-CG2 4.48Å; W63-I208 HydrophobicContact CZ2-CB 3.85Å; W63-I208 HydrophobicContact CZ2-CG2 3.79Å
64	L	98	Very high	97.9	Very high	74 Å²	74	48.5 Å²	48.5	39%	0.387	27%	0.268	S	S	.	.	H	α-helix	trans	-56.6	-44.1	-170.8	-72.4	175.9	0	0	0	112.8	Q61 S68 S118 A122	Q61-L64 HydrophobicContact CB-CD1 4.29Å; Q61-L64 HydrophobicContact CG-CD1 4.41Å; Q61-L64 PolarHBondContact O-N 2.91Å; L64-S68 VanDerWaalsContact O-CB 3.26Å; L64-S68 WeakPolarHBondContact O-CB 3.35Å; L64-S68 PolarHBondContact O-N 3.2Å; L64-S68 PolarHBondContact O-OG 3.48Å; L64-S118 VanDerWaalsContact CD2-OG 3.25Å; L64-S118 WeakPolarHBondContact CD2-OG 3.46Å; L64-A122 HydrophobicContact CD2-CB 4.03Å
65	S	97.3	Very high	97.8	Very high	84 Å²	84	49.4 Å²	49.4	59%	0.587	28%	0.279	S	S	*	.	H	α-helix	trans	-63.8	-49.6	179.4	-177	0	0	0	0	112.1	W63 S68 S69	W63-S65 VanDerWaalsContact C-N 3.32Å; W63-S65 PolarHBondContact O-N 3.23Å; S65-S68 PolarHBondContact O-N 2.92Å; S65-S69 WeakPolarHBondContact O-CB 3.49Å; S65-S69 PolarHBondContact O-N 3.03Å; S65-S69 PolarHBondContact O-OG 3.29Å
66	I	98.3	Very high	97.7	Very high	3 Å²	3	53.7 Å²	53.7	2%	0.015	30%	0.297	C	S	.	.	H	α-helix	trans	-63.7	-49.4	179.3	-62.4	171.7	0	0	0	110	H51 V53 W63 S68 S69 Y70 I187 A205	H51-I66 HydrophobicContact CB-CD1 3.73Å; H51-I66 HydrophobicContact CB-CG1 3.83Å; V53-I66 HydrophobicContact CG2-CD1 3.76Å; W63-I66 HydrophobicContact CE3-CB 4.2Å; W63-I66 HydrophobicContact CE3-CD1 3.75Å; W63-I66 HydrophobicContact CE3-CG2 4.21Å; W63-I66 HydrophobicContact CZ3-CD1 3.82Å; W63-I66 HydrophobicContact CZ3-CG2 4.41Å; W63-I66 PolarHBondContact O-N 3.19Å; I66-S68 VanDerWaalsContact C-N 3.33Å; I66-S68 PolarHBondContact O-N 3.49Å; I66-S69 PolarHBondContact O-N 2.88Å; I66-Y70 HydrophobicContact CG2-CD2 4.21Å; I66-Y70 WeakPolarHBondContact O-CD2 3.35Å; I66-Y70 PolarHBondContact O-N 3.46Å; I66-I187 HydrophobicContact CD1-CD1 4.25Å; I66-I187 HydrophobicContact CG2-CD1 3.76Å; I66-A205 HydrophobicContact CG2-CB 3.91Å
67	A	98.2	Very high	97.5	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.008	28%	0.278	C	S	.	.	H	α-helix	trans	-59.2	-43.5	-179.6	0	0	0	0	0	111.8	W63 K71 I119 A122 T123	W63-A67 WeakPolarHBondContact O-CB 3.4Å; W63-A67 PolarHBondContact O-N 3.44Å; A67-K71 WeakPolarHBondContact O-CA 3.26Å; A67-K71 PolarHBondContact O-N 2.75Å; A67-I119 HydrophobicContact CB-CB 4.44Å; A67-I119 HydrophobicContact CB-CG1 4.25Å; A67-I119 HydrophobicContact CB-CG2 4.28Å; A67-A122 HydrophobicContact CB-CB 3.83Å; A67-T123 HydrophobicContact CB-CG2 4.07Å; A67-T123 WeakPolarHBondContact O-CG2 3.47Å
68	S	97.1	Very high	97.1	Very high	63 Å²	63	47.4 Å²	47.4	44%	0.441	26%	0.264	S	S	.	.	H	α-helix	trans	-64.8	-42.1	177.5	-58.6	0	0	0	0	112.1	L64 S65 I66	L64-S68 VanDerWaalsContact O-CB 3.26Å; L64-S68 WeakPolarHBondContact O-CB 3.35Å; L64-S68 PolarHBondContact O-N 3.2Å; L64-S68 PolarHBondContact O-OG 3.48Å; S65-S68 PolarHBondContact O-N 2.92Å; I66-S68 VanDerWaalsContact C-N 3.33Å; I66-S68 PolarHBondContact O-N 3.49Å
69	S	97.5	Very high	96.8	Very high	74 Å²	74	48.5 Å²	48.5	52%	0.517	26%	0.263	S	S	.	.	H	α-helix	trans	-68.1	-35.1	-178.4	-58.2	0	0	0	0	112.7	S65 I66	S65-S69 WeakPolarHBondContact O-CB 3.49Å; S65-S69 PolarHBondContact O-N 3.03Å; S65-S69 PolarHBondContact O-OG 3.29Å; I66-S69 PolarHBondContact O-N 2.88Å
70	Y	98	Very high	96.4	Very high	29 Å²	29	48.4 Å²	48.4	11%	0.114	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.8	15.9	-177.7	-69.8	-94.2	0	0	0	113.7	H51 I66 I72 Q73 I74 I187 A205	H51-Y70 AromaticContact CE1-CE2 3.74Å; H51-Y70 AromaticContact NE2-CE2 3.65Å; H51-Y70 AromaticContact NE2-CZ 3.96Å; H51-Y70 PolarHBondContact NE2-OH 3.29Å; I66-Y70 HydrophobicContact CG2-CD2 4.21Å; I66-Y70 WeakPolarHBondContact O-CD2 3.35Å; I66-Y70 PolarHBondContact O-N 3.46Å; Y70-I72 PolarHBondContact O-N 3.44Å; Y70-I72 VanDerWaalsContact O-N 3.13Å; Y70-Q73 HydrophobicContact CD1-CG 4.45Å; Y70-Q73 PolarHBondContact O-N 3.48Å; Y70-Q73 PolarHBondContact O-OE1 2.98Å; Y70-I74 WeakPolarHBondContact O-CG1 3.48Å; Y70-I74 PolarHBondContact O-N 3.36Å; Y70-I187 HydrophobicContact CE1-CG2 4.17Å; Y70-I187 HydrophobicContact CE2-CG2 3.83Å; Y70-I187 VanDerWaalsContact OH-CG2 3.29Å; Y70-I187 WeakPolarHBondContact OH-CG2 3.38Å; Y70-A205 VanDerWaalsContact CB-CB 3.49Å; Y70-A205 HydrophobicContact CD1-CB 3.73Å; Y70-A205 HydrophobicContact CD2-CB 3.61Å; Y70-A205 HydrophobicContact CE1-CB 4.36Å; Y70-A205 HydrophobicContact CE2-CB 4.26Å; Y70-A205 HydrophobicContact CG-CB 3.31Å
71	K	97.9	Very high	95.8	Very high	110 Å²	110	46.4 Å²	46.4	48%	0.478	25%	0.249	S	C	.	.	H	α-helix	trans	-54.4	-38.5	-174.3	75.7	-178.3	-173.5	179.2	0	113.4	A67 A75 T123	A67-K71 WeakPolarHBondContact O-CA 3.26Å; A67-K71 PolarHBondContact O-N 2.75Å; K71-A75 WeakPolarHBondContact O-CB 3Å; K71-A75 PolarHBondContact O-N 3.46Å; K71-T123 HydrophobicContact CB-CG2 4.13Å
72	I	98.1	Very high	95.2	Very high	98 Å²	98	43.8 Å²	43.8	50%	0.503	24%	0.236	S	C	.	.	H	α-helix	trans	-69.1	-44.1	-178.5	-65.3	173.5	0	0	0	109.8	Y70 A75 K76	Y70-I72 PolarHBondContact O-N 3.44Å; Y70-I72 VanDerWaalsContact O-N 3.13Å; I72-A75 PolarHBondContact O-N 3.01Å; I72-K76 HydrophobicContact CG2-CD 4.28Å; I72-K76 WeakPolarHBondContact O-CB 3.43Å; I72-K76 VanDerWaalsContact O-CG 3.3Å; I72-K76 WeakPolarHBondContact O-CG 3.3Å; I72-K76 PolarHBondContact O-N 3.13Å
73	Q	97.4	Very high	94.6	Very high	47 Å²	47	46.2 Å²	46.2	22%	0.22	25%	0.251	C	S	.	.	H	α-helix	trans	-69.6	-42.1	-178.5	-63.9	77.9	-5.1	0	0	110.8	Y70 A75 K76 L77 Q184 M185	Y70-Q73 HydrophobicContact CD1-CG 4.45Å; Y70-Q73 PolarHBondContact O-N 3.48Å; Y70-Q73 PolarHBondContact O-OE1 2.98Å; Q73-A75 PolarHBondContact O-N 3.31Å; Q73-K76 WeakPolarHBondContact O-CB 3.49Å; Q73-K76 PolarHBondContact O-N 3.03Å; Q73-L77 PolarHBondContact O-N 3.21Å; Q73-Q184 HydrophobicContact CG-CB 4.26Å; Q73-M185 HydrophobicContact CB-CG 3.53Å; Q73-M185 HydrophobicContact CB-SD 3.97Å; Q73-M185 HydrophobicContact CG-CG 4.37Å
74	I	96.7	Very high	93.8	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-60	-46.9	174.5	-65.1	166.3	0	0	0	110.3	Y70 K76 L77 T78 T123 V125 I130 M185	Y70-I74 WeakPolarHBondContact O-CG1 3.48Å; Y70-I74 PolarHBondContact O-N 3.36Å; I74-K76 VanDerWaalsContact C-N 3.34Å; I74-K76 PolarHBondContact O-N 2.9Å; I74-L77 WeakPolarHBondContact O-CB 3.34Å; I74-L77 PolarHBondContact O-N 3.04Å; I74-T78 PolarHBondContact O-N 2.72Å; I74-T123 HydrophobicContact CB-CG2 4.37Å; I74-T123 HydrophobicContact CD1-CG2 3.75Å; I74-T123 HydrophobicContact CG2-CG2 4.3Å; I74-V125 HydrophobicContact CG2-CG2 4.31Å; I74-I130 HydrophobicContact CG2-CD1 3.63Å; I74-M185 HydrophobicContact CB-CE 4.24Å; I74-M185 HydrophobicContact CG1-CE 3.49Å; I74-M185 VanDerWaalsContact CG1-CE 3.49Å
75	A	96.4	Very high	92.8	Very high	39 Å²	39	45 Å²	45	32%	0.322	25%	0.247	S	C	.	.	H	α-helix	trans	-63.1	-38.3	175.9	0	0	0	0	0	112.6	K71 I72 Q73 L77 T78 Q79 V125	K71-A75 WeakPolarHBondContact O-CB 3Å; K71-A75 PolarHBondContact O-N 3.46Å; I72-A75 PolarHBondContact O-N 3.01Å; Q73-A75 PolarHBondContact O-N 3.31Å; A75-L77 VanDerWaalsContact C-N 3.32Å; A75-L77 PolarHBondContact O-N 3.32Å; A75-T78 PolarHBondContact O-OG1 3.06Å; A75-Q79 VanDerWaalsContact O-CB 3.32Å; A75-Q79 WeakPolarHBondContact O-CB 3.44Å; A75-Q79 PolarHBondContact O-N 3.47Å; A75-V125 HydrophobicContact CB-CG2 3.84Å
76	K	95.9	Very high	92.1	Very high	109 Å²	109	46.4 Å²	46.4	47%	0.474	24%	0.244	S	C	.	.	H	α-helix	trans	-62.1	-39.1	174	-79.3	175.3	178.4	-179.3	0	111.9	I72 Q73 I74 Q79 A80 V181	I72-K76 HydrophobicContact CG2-CD 4.28Å; I72-K76 WeakPolarHBondContact O-CB 3.43Å; I72-K76 VanDerWaalsContact O-CG 3.3Å; I72-K76 WeakPolarHBondContact O-CG 3.3Å; I72-K76 PolarHBondContact O-N 3.13Å; Q73-K76 WeakPolarHBondContact O-CB 3.49Å; Q73-K76 PolarHBondContact O-N 3.03Å; I74-K76 VanDerWaalsContact C-N 3.34Å; I74-K76 PolarHBondContact O-N 2.9Å; K76-Q79 PolarHBondContact O-N 3Å; K76-A80 WeakPolarHBondContact O-CB 3.47Å; K76-A80 PolarHBondContact O-N 3.27Å; K76-V181 HydrophobicContact CB-CG1 4.18Å
77	L	93.5	Very high	91.2	Very high	3 Å²	3	50.7 Å²	50.7	2%	0.016	27%	0.272	C	S	.	.	H	α-helix	trans	-63.4	-50.5	178.8	177.6	63.2	0	0	0	111.2	Q73 I74 A75 Q79 A80 I81 Y133 V178 V181 L182 M185	Q73-L77 PolarHBondContact O-N 3.21Å; I74-L77 WeakPolarHBondContact O-CB 3.34Å; I74-L77 PolarHBondContact O-N 3.04Å; A75-L77 VanDerWaalsContact C-N 3.32Å; A75-L77 PolarHBondContact O-N 3.32Å; L77-Q79 VanDerWaalsContact C-N 3.28Å; L77-Q79 PolarHBondContact O-N 2.96Å; L77-A80 WeakPolarHBondContact O-CB 3.45Å; L77-A80 PolarHBondContact O-N 3.32Å; L77-A80 VanDerWaalsContact O-N 3.17Å; L77-I81 HydrophobicContact CD1-CD1 4.32Å; L77-I81 HydrophobicContact CG-CD1 4.26Å; L77-I81 WeakPolarHBondContact O-CG1 3.47Å; L77-I81 PolarHBondContact O-N 3.36Å; L77-Y133 HydrophobicContact CD2-CD1 4.41Å; L77-Y133 HydrophobicContact CD2-CD2 3.51Å; L77-Y133 HydrophobicContact CD2-CE1 4.17Å; L77-Y133 HydrophobicContact CD2-CE2 3.25Å; L77-Y133 HydrophobicContact CD2-CG 4.11Å; L77-V178 HydrophobicContact CD1-CG1 3.85Å; L77-V181 HydrophobicContact CB-CG1 3.84Å; L77-V181 HydrophobicContact CD1-CG1 4.27Å; L77-L182 HydrophobicContact CD1-CD2 4.03Å; L77-L182 HydrophobicContact CD1-CG 4.13Å; L77-L182 HydrophobicContact CD2-CD2 3.87Å; L77-M185 HydrophobicContact CB-SD 3.95Å; L77-M185 HydrophobicContact CD2-CE 4.05Å; L77-M185 HydrophobicContact CD2-SD 4.06Å
78	T	89.9	Confident	90	Very high	7 Å²	7	56.7 Å²	56.7	4%	0.043	30%	0.303	C	S	.	.	H	α-helix	trans	-66.9	-34.4	-179.5	70.4	0	0	0	0	111.5	I74 A75 I81 K82 V125 E129	I74-T78 PolarHBondContact O-N 2.72Å; A75-T78 PolarHBondContact O-OG1 3.06Å; T78-I81 PolarHBondContact O-N 3.3Å; T78-K82 WeakPolarHBondContact O-CE 3.28Å; T78-K82 WeakPolarHBondContact O-CG 3.4Å; T78-K82 PolarHBondContact O-N 3.18Å; T78-V125 HydrophobicContact CG2-CG1 3.93Å; T78-E129 WeakPolarHBondContact CB-OE2 3.18Å; T78-E129 HydrophobicContact CG2-CB 3.93Å; T78-E129 PolarHBondContact OG1-OE2 3.37Å
79	Q	91.2	Very high	88.9	Confident	85 Å²	85	58 Å²	58	40%	0.397	30%	0.303	S	S	.	.	H	α-helix	trans	-65.1	-40.4	171.9	-167.5	59.8	46.9	0	0	112.8	A75 K76 L77 K82 N83	A75-Q79 VanDerWaalsContact O-CB 3.32Å; A75-Q79 WeakPolarHBondContact O-CB 3.44Å; A75-Q79 PolarHBondContact O-N 3.47Å; K76-Q79 PolarHBondContact O-N 3Å; L77-Q79 VanDerWaalsContact C-N 3.28Å; L77-Q79 PolarHBondContact O-N 2.96Å; Q79-K82 PolarHBondContact O-N 3.38Å; Q79-N83 PolarHBondContact NE2-OD1 2.97Å; Q79-N83 WeakPolarHBondContact O-CB 3.36Å; Q79-N83 PolarHBondContact O-N 2.82Å; Q79-N83 PolarHBondContact O-OD1 3.23Å
80	A	89.8	Confident	88	Confident	9 Å²	9	61.9 Å²	61.9	7%	0.074	31%	0.313	C	S	.	.	H	α-helix	trans	-61.6	-44.9	175.9	0	0	0	0	0	111	K76 L77 K82 N83 V84 V177 V178 V181	K76-A80 WeakPolarHBondContact O-CB 3.47Å; K76-A80 PolarHBondContact O-N 3.27Å; L77-A80 WeakPolarHBondContact O-CB 3.45Å; L77-A80 PolarHBondContact O-N 3.32Å; L77-A80 VanDerWaalsContact O-N 3.17Å; A80-K82 PolarHBondContact O-N 3.28Å; A80-N83 PolarHBondContact O-N 3.45Å; A80-V84 VanDerWaalsContact O-CG2 3.3Å; A80-V84 WeakPolarHBondContact O-CG2 3.26Å; A80-V84 PolarHBondContact O-N 2.83Å; A80-V177 HydrophobicContact CB-CG1 4.3Å; A80-V178 HydrophobicContact CB-CG2 4.07Å; A80-V181 HydrophobicContact CB-CG2 4.43Å
81	I	85.1	Confident	86.7	Confident	9 Å²	9	61.3 Å²	61.3	5%	0.046	32%	0.315	C	S	.	.	H	α-helix	trans	-60.8	-45.2	175.9	-65.7	168.8	0	0	0	110.8	L77 T78 V84 T85 L132 F136 V178	L77-I81 HydrophobicContact CD1-CD1 4.32Å; L77-I81 HydrophobicContact CG-CD1 4.26Å; L77-I81 WeakPolarHBondContact O-CG1 3.47Å; L77-I81 PolarHBondContact O-N 3.36Å; T78-I81 PolarHBondContact O-N 3.3Å; I81-V84 PolarHBondContact O-N 3.4Å; I81-T85 HydrophobicContact CG2-CG2 4.42Å; I81-T85 WeakPolarHBondContact O-CB 3.36Å; I81-T85 WeakPolarHBondContact O-CG2 3.4Å; I81-T85 PolarHBondContact O-N 3.31Å; I81-T85 PolarHBondContact O-OG1 3.45Å; I81-L132 HydrophobicContact CG2-CD2 4.28Å; I81-F136 HydrophobicContact CD1-CD1 4.46Å; I81-F136 HydrophobicContact CD1-CE1 4.41Å; I81-V178 HydrophobicContact CG1-CG2 4.26Å
82	K	85.5	Confident	85.5	Confident	41 Å²	41	63.2 Å²	63.2	18%	0.178	32%	0.324	C	S	.	.	H	α-helix	trans	-58.9	-48.5	175.4	-77.3	179.5	-75.3	-172.9	0	111.8	T78 Q79 A80 V84 T85 Q86 T94 E129	T78-K82 WeakPolarHBondContact O-CE 3.28Å; T78-K82 WeakPolarHBondContact O-CG 3.4Å; T78-K82 PolarHBondContact O-N 3.18Å; Q79-K82 PolarHBondContact O-N 3.38Å; A80-K82 PolarHBondContact O-N 3.28Å; K82-V84 VanDerWaalsContact C-N 3.29Å; K82-V84 PolarHBondContact O-N 3.42Å; K82-T85 PolarHBondContact O-N 3.39Å; K82-T85 PolarHBondContact O-OG1 3.39Å; K82-Q86 WeakPolarHBondContact O-CB 3.33Å; K82-Q86 PolarHBondContact O-N 3.01Å; K82-T94 HydrophobicContact CD-CG2 4.05Å; K82-T94 HydrophobicContact CG-CG2 4.48Å; K82-E129 WeakPolarHBondContact CE-OE1 3.46Å; K82-E129 WeakPolarHBondContact CE-OE2 3.41Å; K82-E129 IonicContact NZ-OE1 3.93Å; K82-E129 PolarHBondContact NZ-OE1 2.98Å; K82-E129 IonicContact NZ-OE2 3.03Å; K82-E129 PolarHBondContact NZ-OE2 3.35Å
83	N	87.1	Confident	84.4	Confident	86 Å²	86	60.9 Å²	60.9	46%	0.46	31%	0.312	S	S	.	.	H	α-helix	trans	-62.3	-36.3	-178.8	-70.4	-5.7	0	0	0	112.8	Q79 A80 P87	Q79-N83 PolarHBondContact NE2-OD1 2.97Å; Q79-N83 WeakPolarHBondContact O-CB 3.36Å; Q79-N83 PolarHBondContact O-N 2.82Å; Q79-N83 PolarHBondContact O-OD1 3.23Å; A80-N83 PolarHBondContact O-N 3.45Å; N83-P87 WeakPolarHBondContact O-CD 3.43Å
84	V	81.4	Confident	83.2	Confident	28 Å²	28	60.2 Å²	60.2	17%	0.17	31%	0.311	C	S	.	.	H	α-helix	trans	-73.5	-38.9	178.1	172	0	0	0	0	111.5	A80 I81 K82	A80-V84 VanDerWaalsContact O-CG2 3.3Å; A80-V84 WeakPolarHBondContact O-CG2 3.26Å; A80-V84 PolarHBondContact O-N 2.83Å; I81-V84 PolarHBondContact O-N 3.4Å; K82-V84 VanDerWaalsContact C-N 3.29Å; K82-V84 PolarHBondContact O-N 3.42Å
85	T	77.4	Confident	82.2	Confident	20 Å²	20	65 Å²	65	12%	0.123	34%	0.336	C	S	.	.	H	α-helix	trans	-84.3	-27	-175.5	53.5	0	0	0	0	113.5	I81 K82 I88 M89 I93	I81-T85 HydrophobicContact CG2-CG2 4.42Å; I81-T85 WeakPolarHBondContact O-CB 3.36Å; I81-T85 WeakPolarHBondContact O-CG2 3.4Å; I81-T85 PolarHBondContact O-N 3.31Å; I81-T85 PolarHBondContact O-OG1 3.45Å; K82-T85 PolarHBondContact O-N 3.39Å; K82-T85 PolarHBondContact O-OG1 3.39Å; T85-I88 PolarHBondContact O-N 3.17Å; T85-M89 WeakPolarHBondContact O-CB 3.5Å; T85-M89 PolarHBondContact O-N 2.79Å; T85-I93 HydrophobicContact CG2-CD1 3.98Å
86	Q	80.8	Confident	81.3	Confident	113 Å²	113	67.3 Å²	67.3	53%	0.528	34%	0.34	S	S	.	.	H	α-helix	trans	-56.7	-47.5	-175.7	-178.2	-170.8	20.5	0	0	113.4	K82 I88 H90 G91	K82-Q86 WeakPolarHBondContact O-CB 3.33Å; K82-Q86 PolarHBondContact O-N 3.01Å; Q86-I88 VanDerWaalsContact C-N 3.32Å; Q86-I88 PolarHBondContact O-N 3.38Å; Q86-H90 VanDerWaalsContact O-CA 3.23Å; Q86-H90 WeakPolarHBondContact O-CA 3.47Å; Q86-H90 PolarHBondContact O-N 3.35Å; Q86-G91 PolarHBondContact O-N 3.45Å
87	P	79.3	Confident	80.6	Confident	94 Å²	94	62.4 Å²	62.4	61%	0.61	32%	0.319	S	S	*	.	H	α-helix	trans	-66.7	-33.9	-178.9	-20.9	33.8	0	0	0	113.1	N83	N83-P87 WeakPolarHBondContact O-CD 3.43Å
88	I	73.2	Confident	79.8	Confident	127 Å²	127	65.2 Å²	65.2	65%	0.651	33%	0.333	S	S	*	.	H	α-helix	trans	-82.8	-39.1	-173.9	-56.9	170	0	0	0	110.6	T85 Q86	T85-I88 PolarHBondContact O-N 3.17Å; Q86-I88 VanDerWaalsContact C-N 3.32Å; Q86-I88 PolarHBondContact O-N 3.38Å
89	M	75.1	Confident	79.2	Confident	89 Å²	89	69.8 Å²	69.8	44%	0.438	36%	0.358	S	S	.	.	H	α-helix	trans	-109.2	4.8	-171.2	-60.6	-68.4	-75.6	0	0	112.9	T85 G91 K92 I93	T85-M89 WeakPolarHBondContact O-CB 3.5Å; T85-M89 PolarHBondContact O-N 2.79Å; M89-G91 VanDerWaalsContact C-N 3.25Å; M89-G91 PolarHBondContact O-N 3.48Å; M89-K92 VanDerWaalsContact O-CB 3.31Å; M89-K92 WeakPolarHBondContact O-CB 3.46Å; M89-K92 WeakPolarHBondContact O-CG 3.36Å; M89-K92 PolarHBondContact O-N 3.23Å; M89-I93 HydrophobicContact CB-CD1 4.09Å; M89-I93 HydrophobicContact CB-CG1 3.95Å; M89-I93 HydrophobicContact CE-CD1 3.97Å; M89-I93 HydrophobicContact CE-CG1 3.93Å; M89-I93 HydrophobicContact CG-CD1 3.61Å; M89-I93 HydrophobicContact CG-CG1 3.99Å
90	H	77.8	Confident	78.7	Confident	157 Å²	157	72.5 Å²	72.5	73%	0.727	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.4	40.9	176.9	-64	-144.7	0	0	0	112.4	Q86 K92	Q86-H90 VanDerWaalsContact O-CA 3.23Å; Q86-H90 WeakPolarHBondContact O-CA 3.47Å; Q86-H90 PolarHBondContact O-N 3.35Å; H90-K92 PolarHBondContact O-N 2.81Å; H90-K92 VanDerWaalsContact O-N 3.12Å
91	G	71.4	Confident	78.2	Confident	16 Å²	16	72.2 Å²	72.2	17%	0.165	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.9	-8.6	-179	0	0	0	0	0	116	Q86 M89 I93 T94 D95	Q86-G91 PolarHBondContact O-N 3.45Å; M89-G91 VanDerWaalsContact C-N 3.25Å; M89-G91 PolarHBondContact O-N 3.48Å; G91-I93 PolarHBondContact O-N 3.03Å; G91-I93 VanDerWaalsContact O-N 3.15Å; G91-T94 WeakPolarHBondContact O-CA 3.33Å; G91-T94 WeakPolarHBondContact O-CB 3.39Å; G91-T94 PolarHBondContact O-N 3.18Å; G91-D95 PolarHBondContact O-N 3.42Å; G91-D95 VanDerWaalsContact O-N 3.07Å
92	K	72.7	Confident	78	Confident	151 Å²	151	72.9 Å²	72.9	66%	0.657	37%	0.37	S	S	*	.	H	α-helix	trans	-59	-31.8	-177.9	-67.2	-177.9	177.4	179.7	0	113.8	M89 H90 F96	M89-K92 VanDerWaalsContact O-CB 3.31Å; M89-K92 WeakPolarHBondContact O-CB 3.46Å; M89-K92 WeakPolarHBondContact O-CG 3.36Å; M89-K92 PolarHBondContact O-N 3.23Å; H90-K92 PolarHBondContact O-N 2.81Å; H90-K92 VanDerWaalsContact O-N 3.12Å; K92-F96 VanDerWaalsContact O-CB 3.23Å; K92-F96 WeakPolarHBondContact O-CB 3.35Å; K92-F96 PolarHBondContact O-N 3.37Å
93	I	74	Confident	77.8	Confident	49 Å²	49	75 Å²	75	25%	0.251	39%	0.386	S	S	.	.	H	α-helix	trans	-64	-45.9	173.6	-75.3	-175.7	0	0	0	109.9	T85 M89 G91 D95 F96 V97	T85-I93 HydrophobicContact CG2-CD1 3.98Å; M89-I93 HydrophobicContact CB-CD1 4.09Å; M89-I93 HydrophobicContact CB-CG1 3.95Å; M89-I93 HydrophobicContact CE-CD1 3.97Å; M89-I93 HydrophobicContact CE-CG1 3.93Å; M89-I93 HydrophobicContact CG-CD1 3.61Å; M89-I93 HydrophobicContact CG-CG1 3.99Å; G91-I93 PolarHBondContact O-N 3.03Å; G91-I93 VanDerWaalsContact O-N 3.15Å; I93-D95 PolarHBondContact O-N 2.88Å; I93-F96 PolarHBondContact O-N 2.93Å; I93-V97 HydrophobicContact CG2-CG2 3.92Å; I93-V97 VanDerWaalsContact O-CB 3.27Å; I93-V97 WeakPolarHBondContact O-CB 3.32Å; I93-V97 WeakPolarHBondContact O-CG2 3.32Å; I93-V97 PolarHBondContact O-N 3.26Å
94	T	73.7	Confident	77.5	Confident	32 Å²	32	72.4 Å²	72.4	20%	0.196	37%	0.37	C	S	.	.	H	α-helix	trans	-59.7	-48.4	178.3	-50.5	0	0	0	0	110.8	K82 G91 F96 V97 D98	K82-T94 HydrophobicContact CD-CG2 4.05Å; K82-T94 HydrophobicContact CG-CG2 4.48Å; G91-T94 WeakPolarHBondContact O-CA 3.33Å; G91-T94 WeakPolarHBondContact O-CB 3.39Å; G91-T94 PolarHBondContact O-N 3.18Å; T94-F96 VanDerWaalsContact C-N 3.3Å; T94-F96 PolarHBondContact O-N 3.46Å; T94-V97 PolarHBondContact O-N 2.87Å; T94-D98 WeakPolarHBondContact O-CB 3.16Å; T94-D98 PolarHBondContact O-N 3.47Å
95	D	75.2	Confident	77.5	Confident	100 Å²	100	71.1 Å²	71.1	54%	0.535	36%	0.362	S	S	.	.	H	α-helix	trans	-60.8	-40.5	177.1	-66.5	-21.2	0	0	0	112.1	G91 I93 N99	G91-D95 PolarHBondContact O-N 3.42Å; G91-D95 VanDerWaalsContact O-N 3.07Å; I93-D95 PolarHBondContact O-N 2.88Å; D95-N99 WeakPolarHBondContact O-CB 3.42Å; D95-N99 PolarHBondContact O-N 2.62Å; D95-N99 VanDerWaalsContact O-N 3.17Å; D95-N99 PolarHBondContact O-ND2 3.2Å
96	F	78	Confident	77.8	Confident	89 Å²	89	75.7 Å²	75.7	39%	0.39	39%	0.386	S	S	.	.	H	α-helix	trans	-64.8	-44.5	177.1	178.9	-98.6	0	0	0	111.8	K92 I93 T94 Y100 L101 W104	K92-F96 VanDerWaalsContact O-CB 3.23Å; K92-F96 WeakPolarHBondContact O-CB 3.35Å; K92-F96 PolarHBondContact O-N 3.37Å; I93-F96 PolarHBondContact O-N 2.93Å; T94-F96 VanDerWaalsContact C-N 3.3Å; T94-F96 PolarHBondContact O-N 3.46Å; F96-Y100 AromaticContact CD2-CD2 3.75Å; F96-Y100 HydrophobicContact CD2-CD2 3.75Å; F96-Y100 HydrophobicContact CD2-CE2 4.42Å; F96-Y100 HydrophobicContact CD2-CG 4.04Å; F96-Y100 HydrophobicContact CE2-CD2 4.29Å; F96-Y100 HydrophobicContact CE2-CG 4.11Å; F96-Y100 HydrophobicContact CG-CD2 4.41Å; F96-Y100 WeakPolarHBondContact O-CA 3.46Å; F96-Y100 VanDerWaalsContact O-CB 3.3Å; F96-Y100 WeakPolarHBondContact O-CB 3.38Å; F96-Y100 PolarHBondContact O-N 2.94Å; F96-L101 HydrophobicContact CD1-CG 4.24Å; F96-L101 HydrophobicContact CE1-CD2 3.77Å; F96-L101 HydrophobicContact CE1-CG 3.99Å; F96-L101 HydrophobicContact CZ-CD2 4.44Å; F96-L101 PolarHBondContact O-N 3.08Å; F96-W104 HydrophobicContact CE1-CH2 4.02Å; F96-W104 HydrophobicContact CE1-CZ2 4.33Å; F96-W104 HydrophobicContact CE2-CZ2 4.47Å; F96-W104 AromaticContact CZ-CH2 3.63Å; F96-W104 HydrophobicContact CZ-CH2 3.63Å; F96-W104 AromaticContact CZ-CZ2 3.62Å; F96-W104 HydrophobicContact CZ-CZ2 3.62Å
97	V	80.4	Confident	78	Confident	6 Å²	6	76 Å²	76	4%	0.036	39%	0.385	C	S	.	.	I	π-helix	trans	-62.4	-51.5	180	168.6	0	0	0	0	110.3	I93 T94 N99 L101 A102 G128 E129 L132	I93-V97 HydrophobicContact CG2-CG2 3.92Å; I93-V97 VanDerWaalsContact O-CB 3.27Å; I93-V97 WeakPolarHBondContact O-CB 3.32Å; I93-V97 WeakPolarHBondContact O-CG2 3.32Å; I93-V97 PolarHBondContact O-N 3.26Å; T94-V97 PolarHBondContact O-N 2.87Å; V97-N99 PolarHBondContact O-N 2.6Å; V97-L101 HydrophobicContact CB-CD1 4.12Å; V97-L101 HydrophobicContact CG1-CD1 4.19Å; V97-L101 HydrophobicContact CG2-CD1 3.67Å; V97-L101 HydrophobicContact CG2-CG 4.49Å; V97-L101 WeakPolarHBondContact O-CB 3.4Å; V97-L101 PolarHBondContact O-N 3.46Å; V97-A102 PolarHBondContact O-N 3.2Å; V97-G128 WeakPolarHBondContact CG1-O 3.5Å; V97-G128 WeakPolarHBondContact O-CA 3.15Å; V97-E129 HydrophobicContact CG1-CB 4.35Å; V97-E129 HydrophobicContact CG1-CG 3.81Å; V97-L132 HydrophobicContact CG1-CB 4.4Å; V97-L132 HydrophobicContact CG2-CD2 3.8Å
98	D	77.6	Confident	78.4	Confident	61 Å²	61	72.1 Å²	72.1	33%	0.326	36%	0.36	S	S	.	.	I	π-helix	trans	-69	-36.8	-173.2	-68.8	-16.8	0	0	0	112.2	T94 A102	T94-D98 WeakPolarHBondContact O-CB 3.16Å; T94-D98 PolarHBondContact O-N 3.47Å; D98-A102 WeakPolarHBondContact O-CB 3.44Å
99	N	76.8	Confident	79.2	Confident	104 Å²	104	68.9 Å²	68.9	56%	0.556	35%	0.347	S	S	*	.	I	π-helix	trans	-94.1	-35.8	-174.9	-63.1	-61.1	0	0	0	114.2	D95 V97	D95-N99 WeakPolarHBondContact O-CB 3.42Å; D95-N99 PolarHBondContact O-N 2.62Å; D95-N99 VanDerWaalsContact O-N 3.17Å; D95-N99 PolarHBondContact O-ND2 3.2Å; V97-N99 PolarHBondContact O-N 2.6Å
100	Y	80.4	Confident	79.9	Confident	141 Å²	141	70.9 Å²	70.9	55%	0.553	36%	0.355	S	S	*	.	I	π-helix	trans	-105.2	-45.1	-172.4	-60.3	-93	0	0	0	112.5	F96 A102 V103 W104	F96-Y100 AromaticContact CD2-CD2 3.75Å; F96-Y100 HydrophobicContact CD2-CD2 3.75Å; F96-Y100 HydrophobicContact CD2-CE2 4.42Å; F96-Y100 HydrophobicContact CD2-CG 4.04Å; F96-Y100 HydrophobicContact CE2-CD2 4.29Å; F96-Y100 HydrophobicContact CE2-CG 4.11Å; F96-Y100 HydrophobicContact CG-CD2 4.41Å; F96-Y100 WeakPolarHBondContact O-CA 3.46Å; F96-Y100 VanDerWaalsContact O-CB 3.3Å; F96-Y100 WeakPolarHBondContact O-CB 3.38Å; F96-Y100 PolarHBondContact O-N 2.94Å; Y100-A102 VanDerWaalsContact C-N 3.26Å; Y100-A102 PolarHBondContact O-N 3.1Å; Y100-V103 PolarHBondContact O-N 3.43Å; Y100-W104 PolarHBondContact O-N 3.28Å; Y100-W104 PolarHBondContact O-NE1 3.48Å
101	L	80.5	Confident	80.8	Confident	3 Å²	3	64.4 Å²	64.4	2%	0.016	33%	0.327	C	S	.	.	I	π-helix	trans	-66.6	-30.4	-179.5	-63.4	-174.4	0	0	0	112.2	F96 V97 V103 W104 A105 V131 L132 I135	F96-L101 HydrophobicContact CD1-CG 4.24Å; F96-L101 HydrophobicContact CE1-CD2 3.77Å; F96-L101 HydrophobicContact CE1-CG 3.99Å; F96-L101 HydrophobicContact CZ-CD2 4.44Å; F96-L101 PolarHBondContact O-N 3.08Å; V97-L101 HydrophobicContact CB-CD1 4.12Å; V97-L101 HydrophobicContact CG1-CD1 4.19Å; V97-L101 HydrophobicContact CG2-CD1 3.67Å; V97-L101 HydrophobicContact CG2-CG 4.49Å; V97-L101 WeakPolarHBondContact O-CB 3.4Å; V97-L101 PolarHBondContact O-N 3.46Å; L101-V103 VanDerWaalsContact C-N 3.28Å; L101-V103 PolarHBondContact O-N 3.21Å; L101-W104 HydrophobicContact CD2-CD2 3.6Å; L101-W104 HydrophobicContact CD2-CE3 3.09Å; L101-W104 HydrophobicContact CD2-CG 4.45Å; L101-W104 HydrophobicContact CD2-CH2 3.55Å; L101-W104 HydrophobicContact CD2-CZ2 4.03Å; L101-W104 HydrophobicContact CD2-CZ3 3.06Å; L101-W104 WeakPolarHBondContact O-CB 3.11Å; L101-W104 PolarHBondContact O-N 3.41Å; L101-A105 PolarHBondContact O-N 3.38Å; L101-V131 HydrophobicContact CB-CB 4.4Å; L101-V131 HydrophobicContact CB-CG1 4.17Å; L101-L132 HydrophobicContact CD1-CB 3.8Å; L101-L132 HydrophobicContact CD1-CD1 4.05Å; L101-L132 HydrophobicContact CD1-CG 4.45Å; L101-I135 HydrophobicContact CD2-CD1 4.34Å
102	A	79.3	Confident	81.9	Confident	24 Å²	24	64 Å²	64	20%	0.198	32%	0.32	C	S	.	.	H	α-helix	trans	-58.7	-41.2	174.4	0	0	0	0	0	112.1	V97 D98 Y100 W104 A105 L127	V97-A102 PolarHBondContact O-N 3.2Å; D98-A102 WeakPolarHBondContact O-CB 3.44Å; Y100-A102 VanDerWaalsContact C-N 3.26Å; Y100-A102 PolarHBondContact O-N 3.1Å; A102-W104 PolarHBondContact O-N 3.11Å; A102-A105 WeakPolarHBondContact O-CB 3.44Å; A102-A105 PolarHBondContact O-N 3Å; A102-L127 HydrophobicContact CB-CB 4.36Å
103	V	81.8	Confident	82.9	Confident	86 Å²	86	57.2 Å²	57.2	52%	0.521	29%	0.293	S	S	.	.	H	α-helix	trans	-68.6	-25.3	175.9	-177.3	0	0	0	0	111.4	Y100 L101 A105 D106	Y100-V103 PolarHBondContact O-N 3.43Å; L101-V103 VanDerWaalsContact C-N 3.28Å; L101-V103 PolarHBondContact O-N 3.21Å; V103-A105 VanDerWaalsContact C-N 3.28Å; V103-A105 PolarHBondContact O-N 3.28Å; V103-D106 PolarHBondContact O-N 3.03Å
104	W	80.7	Confident	84	Confident	30 Å²	30	59.1 Å²	59.1	11%	0.114	30%	0.301	C	S	.	.	H	α-helix	trans	-73.1	-22.1	178.7	-63.6	7.9	0	0	0	112.8	F96 Y100 L101 A102 D106 K107 L108 L236 L240	F96-W104 HydrophobicContact CE1-CH2 4.02Å; F96-W104 HydrophobicContact CE1-CZ2 4.33Å; F96-W104 HydrophobicContact CE2-CZ2 4.47Å; F96-W104 AromaticContact CZ-CH2 3.63Å; F96-W104 HydrophobicContact CZ-CH2 3.63Å; F96-W104 AromaticContact CZ-CZ2 3.62Å; F96-W104 HydrophobicContact CZ-CZ2 3.62Å; Y100-W104 PolarHBondContact O-N 3.28Å; Y100-W104 PolarHBondContact O-NE1 3.48Å; L101-W104 HydrophobicContact CD2-CD2 3.6Å; L101-W104 HydrophobicContact CD2-CE3 3.09Å; L101-W104 HydrophobicContact CD2-CG 4.45Å; L101-W104 HydrophobicContact CD2-CH2 3.55Å; L101-W104 HydrophobicContact CD2-CZ2 4.03Å; L101-W104 HydrophobicContact CD2-CZ3 3.06Å; L101-W104 WeakPolarHBondContact O-CB 3.11Å; L101-W104 PolarHBondContact O-N 3.41Å; A102-W104 PolarHBondContact O-N 3.11Å; W104-D106 PolarHBondContact O-N 3.45Å; W104-D106 VanDerWaalsContact O-N 3.17Å; W104-K107 WeakPolarHBondContact O-CA 3.09Å; W104-K107 WeakPolarHBondContact O-CB 3.44Å; W104-K107 PolarHBondContact O-N 3.43Å; W104-L108 WeakPolarHBondContact O-CG 3.36Å; W104-L108 PolarHBondContact O-N 2.85Å; W104-L236 HydrophobicContact CZ3-CD1 3.99Å; W104-L236 HydrophobicContact CZ3-CD2 4.47Å; W104-L240 HydrophobicContact CD2-CD2 3.42Å; W104-L240 VanDerWaalsContact CD2-CD2 3.42Å; W104-L240 HydrophobicContact CE3-CD2 3.55Å; W104-L240 HydrophobicContact CG-CD2 4.18Å; W104-L240 HydrophobicContact CH2-CD1 3.15Å; W104-L240 HydrophobicContact CH2-CD2 3.56Å; W104-L240 HydrophobicContact CH2-CG 3.93Å; W104-L240 HydrophobicContact CZ2-CD1 3.49Å; W104-L240 VanDerWaalsContact CZ2-CD1 3.49Å; W104-L240 HydrophobicContact CZ2-CD2 3.39Å; W104-L240 HydrophobicContact CZ2-CG 4.06Å; W104-L240 HydrophobicContact CZ3-CD1 3.73Å; W104-L240 HydrophobicContact CZ3-CD2 3.62Å; W104-L240 HydrophobicContact CZ3-CG 4.15Å
105	A	82.3	Confident	85.1	Confident	2 Å²	2	57.6 Å²	57.6	2%	0.017	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-53.3	-36.2	174.5	0	0	0	0	0	111.9	L101 A102 V103 K107 L108 L127 V131	L101-A105 PolarHBondContact O-N 3.38Å; A102-A105 WeakPolarHBondContact O-CB 3.44Å; A102-A105 PolarHBondContact O-N 3Å; V103-A105 VanDerWaalsContact C-N 3.28Å; V103-A105 PolarHBondContact O-N 3.28Å; A105-K107 VanDerWaalsContact C-N 3.28Å; A105-K107 PolarHBondContact O-N 2.95Å; A105-L108 WeakPolarHBondContact O-CB 3.35Å; A105-L108 PolarHBondContact O-N 3.46Å; A105-L127 HydrophobicContact CB-CD1 4.04Å; A105-L127 HydrophobicContact CB-CD2 3.69Å; A105-L127 HydrophobicContact CB-CG 3.95Å; A105-V131 HydrophobicContact CB-CG2 3.83Å
106	D	83.3	Confident	86.1	Confident	115 Å²	115	52.8 Å²	52.8	62%	0.615	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-74.4	-17	178.2	-64.6	-45.2	0	0	0	113.7	V103 W104 R117	V103-D106 PolarHBondContact O-N 3.03Å; W104-D106 PolarHBondContact O-N 3.45Å; W104-D106 VanDerWaalsContact O-N 3.17Å; D106-R117 VanDerWaalsContact CG-NH2 3.25Å; D106-R117 IonicContact OD1-CZ 2.66Å; D106-R117 IonicContact OD1-NH2 3.35Å; D106-R117 PolarHBondContact OD1-NH2 3.49Å; D106-R117 IonicContact OD2-NH2 3.76Å; D106-R117 PolarHBondContact OD2-NH2 3.27Å
107	K	85.1	Confident	87	Confident	119 Å²	119	52.5 Å²	52.5	52%	0.517	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-90.7	-13.9	174.3	-61.6	-175.9	177.9	-176.3	0	112.5	W104 A105 W239	W104-K107 WeakPolarHBondContact O-CA 3.09Å; W104-K107 WeakPolarHBondContact O-CB 3.44Å; W104-K107 PolarHBondContact O-N 3.43Å; A105-K107 VanDerWaalsContact C-N 3.28Å; A105-K107 PolarHBondContact O-N 2.95Å; K107-W239 HydrophobicContact CB-CH2 3.84Å; K107-W239 HydrophobicContact CB-CZ2 4.41Å
108	L	87.8	Confident	87.8	Confident	14 Å²	14	52.6 Å²	52.6	7%	0.073	26%	0.263	C	S	.	.	S	Bend	trans	-67.5	137.5	179.5	-62.3	-175.8	0	0	0	109.8	W104 A105 I116 W239 W251	W104-L108 WeakPolarHBondContact O-CG 3.36Å; W104-L108 PolarHBondContact O-N 2.85Å; A105-L108 WeakPolarHBondContact O-CB 3.35Å; A105-L108 PolarHBondContact O-N 3.46Å; L108-I116 HydrophobicContact CD1-CD1 3.45Å; L108-I116 VanDerWaalsContact CD1-CD1 3.45Å; L108-W239 HydrophobicContact CD2-CH2 3.77Å; L108-W239 HydrophobicContact CD2-CZ2 4.15Å; L108-W251 HydrophobicContact CB-CH2 4.43Å; L108-W251 HydrophobicContact CD1-CH2 3.88Å; L108-W251 HydrophobicContact CD2-CH2 3.65Å; L108-W251 HydrophobicContact CD2-CZ3 4.05Å; L108-W251 HydrophobicContact CG-CH2 4.17Å
109	P	88.5	Confident	88.7	Confident	59 Å²	59	49.7 Å²	49.7	38%	0.383	25%	0.248	S	C	.	.	P	Polyproline II helix	trans	-62.9	147.6	-178.7	15.9	-18.5	0	0	0	111.1	Y112 W251	P109-Y112 HydrophobicContact CB-CD2 4.27Å; P109-Y112 HydrophobicContact CG-CD2 3.85Å; P109-Y112 HydrophobicContact CG-CE2 4.24Å; P109-Y112 WeakPolarHBondContact O-CB 3.42Å; P109-Y112 WeakPolarHBondContact O-CD2 3.49Å; P109-Y112 PolarHBondContact O-N 3.43Å; P109-W251 HydrophobicContact CG-CE3 4.4Å; P109-W251 HydrophobicContact CG-CZ3 4.29Å
110	H	91.7	Very high	89.7	Confident	131 Å²	131	45 Å²	45	61%	0.606	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.9	136.6	168.3	172.9	-82.4	0	0	0	109.7	P59 E114	P59-H110 WeakPolarHBondContact CG-NE2 3.49Å; H110-E114 IonicContact CD2-OE1 2.8Å; H110-E114 PolarHBondContact CD2-OE1 3.22Å
111	P	95.4	Very high	90.5	Very high	21 Å²	21	44.4 Å²	44.4	14%	0.136	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	cis	-93.9	2.3	7.3	36.7	-35.9	0	0	0	115.3	P59 R62 G113 E114 E115	P59-P111 HydrophobicContact CB-CB 3.92Å; P59-P111 HydrophobicContact CG-CB 3.65Å; R62-P111 VanDerWaalsContact NH1-CB 3.34Å; P111-G113 PolarHBondContact O-N 3.21Å; P111-E114 PolarHBondContact O-N 3.36Å; P111-E115 PolarHBondContact O-N 3.25Å
112	Y	94.6	Very high	91.3	Very high	7 Å²	7	45.7 Å²	45.7	3%	0.027	24%	0.24	C	C	.	.	H	α-helix	trans	-67	-40.4	-161.9	-50.8	-66	0	0	0	113.9	P109 E114 E115 I116 I208 W251 E255	P109-Y112 HydrophobicContact CB-CD2 4.27Å; P109-Y112 HydrophobicContact CG-CD2 3.85Å; P109-Y112 HydrophobicContact CG-CE2 4.24Å; P109-Y112 WeakPolarHBondContact O-CB 3.42Å; P109-Y112 WeakPolarHBondContact O-CD2 3.49Å; P109-Y112 PolarHBondContact O-N 3.43Å; Y112-E114 PolarHBondContact O-N 2.92Å; Y112-E115 PolarHBondContact O-N 2.62Å; Y112-I116 WeakPolarHBondContact O-CB 3.41Å; Y112-I116 PolarHBondContact O-N 2.87Å; Y112-I208 HydrophobicContact CD1-CD1 3.91Å; Y112-I208 HydrophobicContact CG-CD1 4.32Å; Y112-I208 WeakPolarHBondContact O-CD1 3.47Å; Y112-W251 HydrophobicContact CD1-CB 4.38Å; Y112-W251 AromaticContact CD1-CD2 3.9Å; Y112-W251 HydrophobicContact CD1-CD2 3.9Å; Y112-W251 HydrophobicContact CD1-CE3 4.39Å; Y112-W251 AromaticContact CD1-CG 3.85Å; Y112-W251 HydrophobicContact CD1-CG 3.85Å; Y112-W251 AromaticContact CD2-CD2 3.87Å; Y112-W251 HydrophobicContact CD2-CD2 3.87Å; Y112-W251 AromaticContact CD2-CE3 3.52Å; Y112-W251 HydrophobicContact CD2-CE3 3.52Å; Y112-W251 HydrophobicContact CD2-CG 4.32Å; Y112-W251 HydrophobicContact CD2-CZ3 4.09Å; Y112-W251 HydrophobicContact CE1-CB 3.81Å; Y112-W251 HydrophobicContact CE1-CD2 4.24Å; Y112-W251 AromaticContact CE1-CG 3.77Å; Y112-W251 HydrophobicContact CE1-CG 3.77Å; Y112-W251 HydrophobicContact CE2-CB 4.03Å; Y112-W251 HydrophobicContact CE2-CD2 4.21Å; Y112-W251 AromaticContact CE2-CE3 3.96Å; Y112-W251 HydrophobicContact CE2-CE3 3.96Å; Y112-W251 HydrophobicContact CE2-CG 4.25Å; Y112-W251 AromaticContact CG-CD2 3.71Å; Y112-W251 HydrophobicContact CG-CD2 3.71Å; Y112-W251 AromaticContact CG-CE3 3.76Å; Y112-W251 HydrophobicContact CG-CE3 3.76Å; Y112-W251 HydrophobicContact CG-CG 4.14Å; Y112-W251 HydrophobicContact CG-CZ3 4.23Å; Y112-W251 AromaticContact CZ-CG 3.98Å; Y112-E255 WeakPolarHBondContact OH-CG 3.38Å; Y112-E255 PolarHBondContact OH-OE1 2.99Å
113	G	94.1	Very high	92.2	Very high	8 Å²	8	45.4 Å²	45.4	8%	0.082	24%	0.236	C	C	.	.	H	α-helix	trans	-61.6	-41.6	179.1	0	0	0	0	0	113.2	P111 R117	P111-G113 PolarHBondContact O-N 3.21Å; G113-R117 WeakPolarHBondContact O-CB 3.2Å; G113-R117 PolarHBondContact O-N 2.8Å
114	E	96.1	Very high	92.9	Very high	89 Å²	89	44.5 Å²	44.5	42%	0.416	24%	0.244	S	C	.	.	H	α-helix	trans	-69.7	-39.4	177.8	-73.4	-175.1	-117.3	0	0	112.7	P59 H110 P111 Y112 R117 S118	P59-E114 HydrophobicContact CB-CB 3.69Å; H110-E114 IonicContact CD2-OE1 2.8Å; H110-E114 PolarHBondContact CD2-OE1 3.22Å; P111-E114 PolarHBondContact O-N 3.36Å; Y112-E114 PolarHBondContact O-N 2.92Å; E114-R117 PolarHBondContact O-N 3.15Å; E114-S118 WeakPolarHBondContact O-CB 3.25Å; E114-S118 PolarHBondContact O-N 3.22Å
115	E	97.6	Very high	93.6	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-62.2	-47.3	174.5	-72.3	-178.2	-167.9	0	0	111.2	P59 R62 W63 P111 Y112 R117 S118 I119 I208 R254	P59-E115 HydrophobicContact CB-CG 3.96Å; P59-E115 WeakPolarHBondContact O-CG 3.29Å; R62-E115 VanDerWaalsContact CD-OE1 3.26Å; R62-E115 WeakPolarHBondContact CD-OE1 3.4Å; R62-E115 IonicContact CZ-OE1 2.93Å; R62-E115 IonicContact NE-OE1 3.83Å; R62-E115 IonicContact NH1-OE1 3.35Å; R62-E115 PolarHBondContact NH1-OE1 3.33Å; W63-E115 PolarHBondContact NE1-OE2 2.82Å; P111-E115 PolarHBondContact O-N 3.25Å; Y112-E115 PolarHBondContact O-N 2.62Å; E115-R117 PolarHBondContact O-N 3.23Å; E115-S118 WeakPolarHBondContact O-CB 3.22Å; E115-S118 PolarHBondContact O-N 3.3Å; E115-I119 WeakPolarHBondContact O-CG1 3.17Å; E115-I119 PolarHBondContact O-N 3.01Å; E115-I208 HydrophobicContact CB-CD1 3.98Å; E115-I208 HydrophobicContact CB-CG2 4.3Å; E115-R254 IonicContact OE1-CZ 3.53Å; E115-R254 IonicContact OE1-NH1 3.89Å; E115-R254 IonicContact OE1-NH2 3.67Å; E115-R254 PolarHBondContact OE1-NH2 3.39Å; E115-R254 IonicContact OE2-CZ 3.39Å; E115-R254 IonicContact OE2-NH1 2.79Å; E115-R254 PolarHBondContact OE2-NH1 2.78Å; E115-R254 IonicContact OE2-NH2 3.55Å; E115-R254 PolarHBondContact OE2-NH2 3.39Å
116	I	96.3	Very high	94.2	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-59.7	-44.7	176.4	-81	160.3	0	0	0	111.4	L108 Y112 S118 I119 A120 L127 I130 V131 N134 I208 W251	L108-I116 HydrophobicContact CD1-CD1 3.45Å; L108-I116 VanDerWaalsContact CD1-CD1 3.45Å; Y112-I116 WeakPolarHBondContact O-CB 3.41Å; Y112-I116 PolarHBondContact O-N 2.87Å; I116-S118 VanDerWaalsContact C-N 3.33Å; I116-S118 PolarHBondContact O-N 3.24Å; I116-I119 PolarHBondContact O-N 3.15Å; I116-A120 PolarHBondContact O-N 3.2Å; I116-L127 HydrophobicContact CG2-CD1 3.77Å; I116-I130 HydrophobicContact CB-CG2 4.46Å; I116-I130 HydrophobicContact CG2-CB 4.38Å; I116-I130 HydrophobicContact CG2-CG2 3.9Å; I116-V131 HydrophobicContact CG2-CG2 3.7Å; I116-N134 HydrophobicContact CD1-CB 3.85Å; I116-N134 HydrophobicContact CG1-CB 4.2Å; I116-I208 HydrophobicContact CD1-CD1 3.87Å; I116-I208 HydrophobicContact CG1-CD1 3.77Å; I116-I208 HydrophobicContact CG1-CG1 4.4Å; I116-W251 HydrophobicContact CD1-CZ2 4.17Å
117	R	96.2	Very high	94.7	Very high	82 Å²	82	42.2 Å²	42.2	31%	0.309	24%	0.237	S	C	.	.	H	α-helix	trans	-63.2	-40.1	178.3	-171.8	178.9	-63.6	-76.8	-0.5	112.1	D106 G113 E114 E115 A120 N121 L127	D106-R117 VanDerWaalsContact CG-NH2 3.25Å; D106-R117 IonicContact OD1-CZ 2.66Å; D106-R117 IonicContact OD1-NH2 3.35Å; D106-R117 PolarHBondContact OD1-NH2 3.49Å; D106-R117 IonicContact OD2-NH2 3.76Å; D106-R117 PolarHBondContact OD2-NH2 3.27Å; G113-R117 WeakPolarHBondContact O-CB 3.2Å; G113-R117 PolarHBondContact O-N 2.8Å; E114-R117 PolarHBondContact O-N 3.15Å; E115-R117 PolarHBondContact O-N 3.23Å; R117-A120 PolarHBondContact O-N 2.88Å; R117-N121 VanDerWaalsContact O-CG 3.3Å; R117-N121 PolarHBondContact O-N 2.92Å; R117-L127 HydrophobicContact CB-CD1 4.22Å
118	S	97.2	Very high	95	Very high	9 Å²	9	36.6 Å²	36.6	6%	0.063	21%	0.213	C	C	.	.	H	α-helix	trans	-62.6	-43.7	175.3	177.3	0	0	0	0	112.2	S60 L64 E114 E115 I116 A120 N121 A122	S60-S118 VanDerWaalsContact O-CB 3.22Å; S60-S118 WeakPolarHBondContact O-CB 3.42Å; S60-S118 PolarHBondContact O-OG 2.77Å; L64-S118 VanDerWaalsContact CD2-OG 3.25Å; L64-S118 WeakPolarHBondContact CD2-OG 3.46Å; E114-S118 WeakPolarHBondContact O-CB 3.25Å; E114-S118 PolarHBondContact O-N 3.22Å; E115-S118 WeakPolarHBondContact O-CB 3.22Å; E115-S118 PolarHBondContact O-N 3.3Å; I116-S118 VanDerWaalsContact C-N 3.33Å; I116-S118 PolarHBondContact O-N 3.24Å; S118-A120 PolarHBondContact O-N 3.3Å; S118-N121 PolarHBondContact O-N 2.56Å; S118-A122 WeakPolarHBondContact O-CB 3.27Å; S118-A122 PolarHBondContact O-N 3.02Å
119	I	98	Very high	95.1	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-60.8	-45.7	175.9	-66.7	160.8	0	0	0	110.8	W63 A67 E115 I116 N121 A122 T123 I130 I208	W63-I119 HydrophobicContact CB-CD1 4Å; W63-I119 HydrophobicContact CB-CG1 3.64Å; W63-I119 HydrophobicContact CD2-CD1 4.24Å; W63-I119 HydrophobicContact CG-CD1 3.91Å; W63-I119 HydrophobicContact CG-CG1 4.13Å; A67-I119 HydrophobicContact CB-CB 4.44Å; A67-I119 HydrophobicContact CB-CG1 4.25Å; A67-I119 HydrophobicContact CB-CG2 4.28Å; E115-I119 WeakPolarHBondContact O-CG1 3.17Å; E115-I119 PolarHBondContact O-N 3.01Å; I116-I119 PolarHBondContact O-N 3.15Å; I119-N121 PolarHBondContact O-N 3.05Å; I119-A122 PolarHBondContact O-N 3.11Å; I119-T123 HydrophobicContact CG2-CG2 4.23Å; I119-T123 WeakPolarHBondContact O-CB 3.38Å; I119-T123 VanDerWaalsContact O-CG2 3.28Å; I119-T123 WeakPolarHBondContact O-CG2 3.2Å; I119-T123 PolarHBondContact O-N 3.39Å; I119-T123 PolarHBondContact O-OG1 2.96Å; I119-I130 HydrophobicContact CB-CG2 4.14Å; I119-I130 HydrophobicContact CG2-CD1 4.26Å; I119-I130 HydrophobicContact CG2-CG1 4.46Å; I119-I130 HydrophobicContact CG2-CG2 3.88Å; I119-I208 HydrophobicContact CD1-CG2 3.4Å
120	A	97	Very high	95.4	Very high	4 Å²	4	33.5 Å²	33.5	3%	0.033	19%	0.194	C	C	.	.	H	α-helix	trans	-57.5	-48.4	176.6	0	0	0	0	0	111.7	I116 R117 S118 A122 T123 G124 V125 L127 I130	I116-A120 PolarHBondContact O-N 3.2Å; R117-A120 PolarHBondContact O-N 2.88Å; S118-A120 PolarHBondContact O-N 3.3Å; A120-A122 PolarHBondContact O-N 3.44Å; A120-T123 PolarHBondContact O-N 2.69Å; A120-T123 PolarHBondContact O-OG1 3.44Å; A120-G124 WeakPolarHBondContact O-CA 3.43Å; A120-G124 PolarHBondContact O-N 3.37Å; A120-V125 WeakPolarHBondContact CB-O 2.99Å; A120-V125 PolarHBondContact O-N 3.31Å; A120-L127 HydrophobicContact CB-CB 4.25Å; A120-L127 HydrophobicContact CB-CD1 3.9Å; A120-I130 HydrophobicContact CB-CB 4.34Å; A120-I130 HydrophobicContact CB-CG1 3.91Å
121	N	97.2	Very high	95.4	Very high	130 Å²	130	27.3 Å²	27.3	70%	0.695	17%	0.165	S	C	*	.	H	α-helix	trans	-63	-43.3	178.6	-70	-11.4	0	0	0	112.8	R117 S118 I119	R117-N121 VanDerWaalsContact O-CG 3.3Å; R117-N121 PolarHBondContact O-N 2.92Å; S118-N121 PolarHBondContact O-N 2.56Å; I119-N121 PolarHBondContact O-N 3.05Å
122	A	97.6	Very high	95	Very high	29 Å²	29	27.6 Å²	27.6	24%	0.24	17%	0.165	C	C	.	.	H	α-helix	trans	-70.7	-31.6	-177.9	0	0	0	0	0	113.1	L64 A67 S118 I119 A120	L64-A122 HydrophobicContact CD2-CB 4.03Å; A67-A122 HydrophobicContact CB-CB 3.83Å; S118-A122 WeakPolarHBondContact O-CB 3.27Å; S118-A122 PolarHBondContact O-N 3.02Å; I119-A122 PolarHBondContact O-N 3.11Å; A120-A122 PolarHBondContact O-N 3.44Å
123	T	97.8	Very high	94.8	Very high	18 Å²	18	27.8 Å²	27.8	11%	0.11	17%	0.166	C	C	.	.	H	α-helix	trans	-89.8	-24.3	-179.4	57.9	0	0	0	0	113.3	A67 K71 I74 I119 A120 V125	A67-T123 HydrophobicContact CB-CG2 4.07Å; A67-T123 WeakPolarHBondContact O-CG2 3.47Å; K71-T123 HydrophobicContact CB-CG2 4.13Å; I74-T123 HydrophobicContact CB-CG2 4.37Å; I74-T123 HydrophobicContact CD1-CG2 3.75Å; I74-T123 HydrophobicContact CG2-CG2 4.3Å; I119-T123 HydrophobicContact CG2-CG2 4.23Å; I119-T123 WeakPolarHBondContact O-CB 3.38Å; I119-T123 VanDerWaalsContact O-CG2 3.28Å; I119-T123 WeakPolarHBondContact O-CG2 3.2Å; I119-T123 PolarHBondContact O-N 3.39Å; I119-T123 PolarHBondContact O-OG1 2.96Å; A120-T123 PolarHBondContact O-N 2.69Å; A120-T123 PolarHBondContact O-OG1 3.44Å; T123-V125 WeakPolarHBondContact OG1-CB 3.45Å; T123-V125 PolarHBondContact OG1-N 2.82Å
124	G	96.6	Very high	94.6	Very high	67 Å²	67	27.5 Å²	27.5	69%	0.691	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	76	7.6	-169.5	0	0	0	0	0	113.7	A120	A120-G124 WeakPolarHBondContact O-CA 3.43Å; A120-G124 PolarHBondContact O-N 3.37Å
125	V	95.2	Very high	93.8	Very high	10 Å²	10	23.9 Å²	23.9	6%	0.061	15%	0.146	C	C	.	.			trans	-80.1	138.5	175.8	175.8	0	0	0	0	109.3	I74 A75 T78 A120 T123 L127 E129 I130	I74-V125 HydrophobicContact CG2-CG2 4.31Å; A75-V125 HydrophobicContact CB-CG2 3.84Å; T78-V125 HydrophobicContact CG2-CG1 3.93Å; A120-V125 WeakPolarHBondContact CB-O 2.99Å; A120-V125 PolarHBondContact O-N 3.31Å; T123-V125 WeakPolarHBondContact OG1-CB 3.45Å; T123-V125 PolarHBondContact OG1-N 2.82Å; V125-L127 PolarHBondContact O-N 2.8Å; V125-E129 HydrophobicContact CG1-CB 3.87Å; V125-I130 HydrophobicContact CB-CD1 3.81Å; V125-I130 HydrophobicContact CB-CG1 4.11Å; V125-I130 HydrophobicContact CG1-CD1 3.55Å; V125-I130 HydrophobicContact CG1-CG1 3.91Å
126	P	94.6	Very high	92.7	Very high	60 Å²	60	25 Å²	25	39%	0.39	15%	0.15	S	C	.	.			trans	-52.8	138.6	178.4	-28.3	36.1	0	0	0	113	G128 E129 I130	P126-G128 VanDerWaalsContact C-N 3.27Å; P126-G128 PolarHBondContact O-N 2.97Å; P126-E129 HydrophobicContact CB-CG 4.15Å; P126-E129 HydrophobicContact CG-CG 4.46Å; P126-E129 WeakPolarHBondContact O-CB 3.42Å; P126-E129 PolarHBondContact O-N 3.02Å; P126-I130 PolarHBondContact O-N 3.44Å
127	L	93.8	Very high	91.2	Very high	29 Å²	29	25.1 Å²	25.1	15%	0.152	15%	0.151	C	C	.	.	H	α-helix	trans	-55.8	-42.1	-176.2	178.5	60.2	0	0	0	112.7	A102 A105 I116 R117 A120 V125 E129 I130 V131	A102-L127 HydrophobicContact CB-CB 4.36Å; A105-L127 HydrophobicContact CB-CD1 4.04Å; A105-L127 HydrophobicContact CB-CD2 3.69Å; A105-L127 HydrophobicContact CB-CG 3.95Å; I116-L127 HydrophobicContact CG2-CD1 3.77Å; R117-L127 HydrophobicContact CB-CD1 4.22Å; A120-L127 HydrophobicContact CB-CB 4.25Å; A120-L127 HydrophobicContact CB-CD1 3.9Å; V125-L127 PolarHBondContact O-N 2.8Å; L127-E129 VanDerWaalsContact C-N 3.26Å; L127-E129 PolarHBondContact O-N 3.42Å; L127-I130 PolarHBondContact O-N 3.23Å; L127-V131 HydrophobicContact CD1-CG2 4.38Å; L127-V131 HydrophobicContact CG-CG2 4.43Å; L127-V131 WeakPolarHBondContact O-CG2 3.32Å; L127-V131 PolarHBondContact O-N 3.45Å
128	G	91.2	Very high	89.7	Confident	1 Å²	1	21.7 Å²	21.7	1%	0.01	14%	0.138	C	C	.	.	H	α-helix	trans	-58.3	-38.2	177.5	0	0	0	0	0	112.7	V97 P126 V131 L132	V97-G128 WeakPolarHBondContact CG1-O 3.5Å; V97-G128 WeakPolarHBondContact O-CA 3.15Å; P126-G128 VanDerWaalsContact C-N 3.27Å; P126-G128 PolarHBondContact O-N 2.97Å; G128-V131 PolarHBondContact O-N 2.81Å; G128-L132 WeakPolarHBondContact O-CB 3.02Å; G128-L132 PolarHBondContact O-N 2.95Å
129	E	91.5	Very high	88	Confident	9 Å²	9	24.7 Å²	24.7	4%	0.042	15%	0.153	C	C	.	.	H	α-helix	trans	-70.3	-36.8	178.2	-63.1	-179.7	-158.2	0	0	112	T78 K82 V97 V125 P126 L127 L132 Y133	T78-E129 WeakPolarHBondContact CB-OE2 3.18Å; T78-E129 HydrophobicContact CG2-CB 3.93Å; T78-E129 PolarHBondContact OG1-OE2 3.37Å; K82-E129 WeakPolarHBondContact CE-OE1 3.46Å; K82-E129 WeakPolarHBondContact CE-OE2 3.41Å; K82-E129 IonicContact NZ-OE1 3.93Å; K82-E129 PolarHBondContact NZ-OE1 2.98Å; K82-E129 IonicContact NZ-OE2 3.03Å; K82-E129 PolarHBondContact NZ-OE2 3.35Å; V97-E129 HydrophobicContact CG1-CB 4.35Å; V97-E129 HydrophobicContact CG1-CG 3.81Å; V125-E129 HydrophobicContact CG1-CB 3.87Å; P126-E129 HydrophobicContact CB-CG 4.15Å; P126-E129 HydrophobicContact CG-CG 4.46Å; P126-E129 WeakPolarHBondContact O-CB 3.42Å; P126-E129 PolarHBondContact O-N 3.02Å; L127-E129 VanDerWaalsContact C-N 3.26Å; L127-E129 PolarHBondContact O-N 3.42Å; E129-L132 WeakPolarHBondContact O-CB 3.37Å; E129-L132 PolarHBondContact O-N 3.3Å; E129-Y133 WeakPolarHBondContact O-CB 3.41Å; E129-Y133 PolarHBondContact O-N 3.08Å
130	I	94	Very high	86.5	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-71.2	-36.7	174.5	-58.3	-56.1	0	0	0	111.4	I74 I116 I119 A120 V125 P126 L127 Y133 N134	I74-I130 HydrophobicContact CG2-CD1 3.63Å; I116-I130 HydrophobicContact CB-CG2 4.46Å; I116-I130 HydrophobicContact CG2-CB 4.38Å; I116-I130 HydrophobicContact CG2-CG2 3.9Å; I119-I130 HydrophobicContact CB-CG2 4.14Å; I119-I130 HydrophobicContact CG2-CD1 4.26Å; I119-I130 HydrophobicContact CG2-CG1 4.46Å; I119-I130 HydrophobicContact CG2-CG2 3.88Å; A120-I130 HydrophobicContact CB-CB 4.34Å; A120-I130 HydrophobicContact CB-CG1 3.91Å; V125-I130 HydrophobicContact CB-CD1 3.81Å; V125-I130 HydrophobicContact CB-CG1 4.11Å; V125-I130 HydrophobicContact CG1-CD1 3.55Å; V125-I130 HydrophobicContact CG1-CG1 3.91Å; P126-I130 PolarHBondContact O-N 3.44Å; L127-I130 PolarHBondContact O-N 3.23Å; I130-Y133 PolarHBondContact O-N 2.85Å; I130-N134 PolarHBondContact O-N 3.45Å; I130-N134 VanDerWaalsContact O-N 3.08Å; I130-N134 PolarHBondContact O-ND2 3.4Å
131	V	90.6	Very high	85.4	Confident	1 Å²	1	27.6 Å²	27.6	1%	0.006	17%	0.165	C	C	.	.	H	α-helix	trans	-58.9	-52.6	169.6	170.8	0	0	0	0	109	L101 A105 I116 L127 G128 Y133 N134 I135	L101-V131 HydrophobicContact CB-CB 4.4Å; L101-V131 HydrophobicContact CB-CG1 4.17Å; A105-V131 HydrophobicContact CB-CG2 3.83Å; I116-V131 HydrophobicContact CG2-CG2 3.7Å; L127-V131 HydrophobicContact CD1-CG2 4.38Å; L127-V131 HydrophobicContact CG-CG2 4.43Å; L127-V131 WeakPolarHBondContact O-CG2 3.32Å; L127-V131 PolarHBondContact O-N 3.45Å; G128-V131 PolarHBondContact O-N 2.81Å; V131-Y133 VanDerWaalsContact C-N 3.35Å; V131-Y133 PolarHBondContact O-N 3.28Å; V131-N134 PolarHBondContact O-N 2.84Å; V131-N134 VanDerWaalsContact O-N 3.11Å; V131-I135 HydrophobicContact CG1-CD1 4.33Å; V131-I135 HydrophobicContact CG1-CG2 4.48Å; V131-I135 WeakPolarHBondContact O-CG1 3.34Å; V131-I135 PolarHBondContact O-N 3.34Å
132	L	87.3	Confident	84.6	Confident	26 Å²	26	21.8 Å²	21.8	14%	0.136	14%	0.135	C	C	.	.	H	α-helix	trans	-51.5	-55.9	177.2	-179.4	63.2	0	0	0	109.8	I81 V97 L101 G128 E129 N134 I135 F136	I81-L132 HydrophobicContact CG2-CD2 4.28Å; V97-L132 HydrophobicContact CG1-CB 4.4Å; V97-L132 HydrophobicContact CG2-CD2 3.8Å; L101-L132 HydrophobicContact CD1-CB 3.8Å; L101-L132 HydrophobicContact CD1-CD1 4.05Å; L101-L132 HydrophobicContact CD1-CG 4.45Å; G128-L132 WeakPolarHBondContact O-CB 3.02Å; G128-L132 PolarHBondContact O-N 2.95Å; E129-L132 WeakPolarHBondContact O-CB 3.37Å; E129-L132 PolarHBondContact O-N 3.3Å; L132-N134 PolarHBondContact O-N 3.2Å; L132-N134 VanDerWaalsContact O-N 3.15Å; L132-I135 HydrophobicContact CD1-CG1 4.45Å; L132-I135 CarbonylContact O-C 3.6Å; L132-I135 VanDerWaalsContact O-CG1 3.27Å; L132-I135 WeakPolarHBondContact O-CG1 3.47Å; L132-I135 PolarHBondContact O-N 3.32Å; L132-F136 HydrophobicContact CD1-CD2 3.65Å; L132-F136 HydrophobicContact CD1-CE2 4.23Å; L132-F136 HydrophobicContact CD1-CG 4.48Å; L132-F136 HydrophobicContact CG-CD2 4.12Å; L132-F136 WeakPolarHBondContact O-CB 3.47Å; L132-F136 PolarHBondContact O-N 2.9Å
133	Y	90.1	Very high	84.3	Confident	12 Å²	12	20.4 Å²	20.4	5%	0.047	12%	0.123	C	C	.	.	H	α-helix	trans	-51.3	-41.9	-179.8	173.2	-145.4	0	0	0	113.1	L77 E129 I130 V131 M185 F204 A205 G206 F207	L77-Y133 HydrophobicContact CD2-CD1 4.41Å; L77-Y133 HydrophobicContact CD2-CD2 3.51Å; L77-Y133 HydrophobicContact CD2-CE1 4.17Å; L77-Y133 HydrophobicContact CD2-CE2 3.25Å; L77-Y133 HydrophobicContact CD2-CG 4.11Å; E129-Y133 WeakPolarHBondContact O-CB 3.41Å; E129-Y133 PolarHBondContact O-N 3.08Å; I130-Y133 PolarHBondContact O-N 2.85Å; V131-Y133 VanDerWaalsContact C-N 3.35Å; V131-Y133 PolarHBondContact O-N 3.28Å; Y133-M185 HydrophobicContact CE1-CE 4.25Å; Y133-M185 WeakPolarHBondContact OH-CE 3.27Å; Y133-F204 WeakPolarHBondContact OH-CB 3.33Å; Y133-A205 WeakPolarHBondContact CE1-O 3.45Å; Y133-A205 PolarHBondContact OH-O 3.41Å; Y133-G206 VanDerWaalsContact CE1-C 3.47Å; Y133-F207 HydrophobicContact CE1-CB 4.42Å; Y133-F207 HydrophobicContact CE2-CB 4.43Å
134	N	90.2	Very high	84.3	Confident	1 Å²	1	19.5 Å²	19.5	1%	0.005	12%	0.118	C	C	.	.	H	α-helix	trans	-77.7	-20.8	-179	-81.5	-84.7	0	0	0	114.6	I116 I130 V131 L132 G206 F207 I208	I116-N134 HydrophobicContact CD1-CB 3.85Å; I116-N134 HydrophobicContact CG1-CB 4.2Å; I130-N134 PolarHBondContact O-N 3.45Å; I130-N134 VanDerWaalsContact O-N 3.08Å; I130-N134 PolarHBondContact O-ND2 3.4Å; V131-N134 PolarHBondContact O-N 2.84Å; V131-N134 VanDerWaalsContact O-N 3.11Å; L132-N134 PolarHBondContact O-N 3.2Å; L132-N134 VanDerWaalsContact O-N 3.15Å; N134-G206 PolarHBondContact ND2-O 3.05Å; N134-G206 PolarHBondContact OD1-O 3.32Å; N134-F207 WeakPolarHBondContact OD1-CA 3.44Å; N134-I208 WeakPolarHBondContact OD1-CG1 3.46Å; N134-I208 PolarHBondContact OD1-N 3.39Å
135	I	80	Confident	84.4	Confident	14 Å²	14	16.3 Å²	16.3	7%	0.072	9%	0.085	C	C	.	.	H	α-helix	trans	-99.1	-18.7	176.4	69.1	175.3	0	0	0	112.9	L101 V131 L132 Y137 E138 W248	L101-I135 HydrophobicContact CD2-CD1 4.34Å; V131-I135 HydrophobicContact CG1-CD1 4.33Å; V131-I135 HydrophobicContact CG1-CG2 4.48Å; V131-I135 WeakPolarHBondContact O-CG1 3.34Å; V131-I135 PolarHBondContact O-N 3.34Å; L132-I135 HydrophobicContact CD1-CG1 4.45Å; L132-I135 CarbonylContact O-C 3.6Å; L132-I135 VanDerWaalsContact O-CG1 3.27Å; L132-I135 WeakPolarHBondContact O-CG1 3.47Å; L132-I135 PolarHBondContact O-N 3.32Å; I135-Y137 PolarHBondContact O-N 3.04Å; I135-E138 WeakPolarHBondContact O-CG 3.38Å; I135-E138 PolarHBondContact O-N 2.96Å; I135-W248 HydrophobicContact CB-CE3 4.35Å; I135-W248 HydrophobicContact CB-CH2 3.58Å; I135-W248 HydrophobicContact CB-CZ3 3.4Å; I135-W248 VanDerWaalsContact CB-CZ3 3.4Å; I135-W248 HydrophobicContact CD1-CH2 4.41Å; I135-W248 HydrophobicContact CG2-CE3 4.13Å; I135-W248 HydrophobicContact CG2-CH2 3.31Å; I135-W248 HydrophobicContact CG2-CZ2 3.99Å; I135-W248 HydrophobicContact CG2-CZ3 3.42Å; I135-W248 VanDerWaalsContact CG2-CZ3 3.42Å
136	F	73.3	Confident	84.6	Confident	22 Å²	22	16 Å²	16	10%	0.096	8%	0.083	C	C	.	.	G	3₁₀ helix	trans	-68.3	-21.1	-172.4	-155.7	-119.9	0	0	0	113.6	I81 L132 E138 L139 F140 F163 L167	I81-F136 HydrophobicContact CD1-CD1 4.46Å; I81-F136 HydrophobicContact CD1-CE1 4.41Å; L132-F136 HydrophobicContact CD1-CD2 3.65Å; L132-F136 HydrophobicContact CD1-CE2 4.23Å; L132-F136 HydrophobicContact CD1-CG 4.48Å; L132-F136 HydrophobicContact CG-CD2 4.12Å; L132-F136 WeakPolarHBondContact O-CB 3.47Å; L132-F136 PolarHBondContact O-N 2.9Å; F136-E138 PolarHBondContact O-N 3.07Å; F136-L139 PolarHBondContact O-N 2.85Å; F136-F140 AromaticContact CD1-CD2 3.77Å; F136-F140 HydrophobicContact CD1-CD2 3.77Å; F136-F140 HydrophobicContact CD1-CE2 4.36Å; F136-F140 HydrophobicContact CD2-CD2 4.12Å; F136-F140 AromaticContact CD2-CE2 3.99Å; F136-F140 HydrophobicContact CD2-CE2 3.99Å; F136-F140 AromaticContact CE1-CD2 3.38Å; F136-F140 HydrophobicContact CE1-CD2 3.38Å; F136-F140 AromaticContact CE1-CE2 3.77Å; F136-F140 HydrophobicContact CE1-CE2 3.77Å; F136-F140 HydrophobicContact CE1-CG 4.23Å; F136-F140 AromaticContact CE2-CD2 3.77Å; F136-F140 HydrophobicContact CE2-CD2 3.77Å; F136-F140 AromaticContact CE2-CE2 3.34Å; F136-F140 HydrophobicContact CE2-CE2 3.34Å; F136-F140 HydrophobicContact CE2-CZ 4.39Å; F136-F140 HydrophobicContact CG-CD2 4.13Å; F136-F140 HydrophobicContact CG-CE2 4.46Å; F136-F140 AromaticContact CZ-CD2 3.37Å; F136-F140 HydrophobicContact CZ-CD2 3.37Å; F136-F140 AromaticContact CZ-CE2 3.2Å; F136-F140 HydrophobicContact CZ-CE2 3.2Å; F136-F140 HydrophobicContact CZ-CG 4.42Å; F136-F140 HydrophobicContact CZ-CZ 4.14Å; F136-F163 HydrophobicContact CD1-CZ 4.48Å; F136-L167 HydrophobicContact CD1-CD1 4.43Å; F136-L167 HydrophobicContact CE1-CD1 3.56Å; F136-L167 HydrophobicContact CE1-CD2 3.93Å; F136-L167 HydrophobicContact CE1-CG 4.42Å; F136-L167 HydrophobicContact CZ-CD1 4.37Å; F136-L167 HydrophobicContact CZ-CD2 3.92Å
137	Y	66.8	Low	84.8	Confident	3 Å²	3	13.1 Å²	13.1	1%	0.012	6%	0.064	C	C	.	.	G	3₁₀ helix	trans	-54.7	-37	175.8	176.4	-87.4	0	0	0	112	I135 L139 T141 F163 F207 L211 I223 T250	I135-Y137 PolarHBondContact O-N 3.04Å; Y137-L139 PolarHBondContact O-N 3.23Å; Y137-T141 HydrophobicContact CD2-CG2 3.18Å; Y137-T141 HydrophobicContact CE2-CG2 3.09Å; Y137-T141 WeakPolarHBondContact CE2-OG1 3.48Å; Y137-T141 HydrophobicContact CG-CG2 3.95Å; Y137-T141 PolarHBondContact OH-OG1 3.23Å; Y137-F163 HydrophobicContact CD2-CD2 4.34Å; Y137-F163 AromaticContact CD2-CE2 3.89Å; Y137-F163 HydrophobicContact CD2-CE2 3.89Å; Y137-F207 HydrophobicContact CG-CZ 4.33Å; Y137-L211 HydrophobicContact CD1-CD2 3.7Å; Y137-L211 HydrophobicContact CD2-CD1 3.39Å; Y137-L211 HydrophobicContact CD2-CD2 3.55Å; Y137-L211 HydrophobicContact CD2-CG 4.07Å; Y137-L211 HydrophobicContact CE1-CD2 3.41Å; Y137-L211 VanDerWaalsContact CE1-CD2 3.41Å; Y137-L211 HydrophobicContact CE2-CD1 3.26Å; Y137-L211 HydrophobicContact CE2-CD2 3.28Å; Y137-L211 HydrophobicContact CE2-CG 3.81Å; Y137-L211 HydrophobicContact CG-CD1 4.34Å; Y137-L211 HydrophobicContact CG-CD2 3.79Å; Y137-I223 HydrophobicContact CE1-CG2 4.11Å; Y137-I223 PolarHBondContact OH-O 2.84Å; Y137-I223 VanDerWaalsContact OH-O 3.14Å; Y137-T250 HydrophobicContact CD1-CG2 3.33Å; Y137-T250 HydrophobicContact CE1-CG2 3.78Å; Y137-T250 HydrophobicContact CG-CG2 3.98Å
138	E	63.1	Low	85	Confident	10 Å²	10	11.7 Å²	11.7	5%	0.047	6%	0.057	C	C	.	.	G	3₁₀ helix	trans	-66.1	6.7	-175.4	-53.9	-81.9	163.8	0	0	113.7	I135 F136 W248 V249 A277	I135-E138 WeakPolarHBondContact O-CG 3.38Å; I135-E138 PolarHBondContact O-N 2.96Å; F136-E138 PolarHBondContact O-N 3.07Å; E138-W248 HydrophobicContact CG-CE3 4Å; E138-W248 HydrophobicContact CG-CZ3 4.11Å; E138-V249 WeakPolarHBondContact OE1-CB 3.38Å; E138-V249 PolarHBondContact OE1-N 2.65Å; E138-V249 VanDerWaalsContact OE2-CG2 3.3Å; E138-V249 WeakPolarHBondContact OE2-CG2 3.3Å; E138-A277 WeakPolarHBondContact OE2-CB 3.37Å
139	L	62.1	Low	85.3	Confident	72 Å²	72	11.9 Å²	11.9	38%	0.377	6%	0.058	S	C	.	.	G	3₁₀ helix	trans	-132.5	-29.8	-172.4	-61.5	175.3	0	0	0	115.3	F136 Y137	F136-L139 PolarHBondContact O-N 2.85Å; Y137-L139 PolarHBondContact O-N 3.23Å
140	F	67.3	Low	85.6	Confident	65 Å²	65	12.1 Å²	12.1	29%	0.285	6%	0.059	S	C	.	.	S	Bend	trans	-133.1	28.1	-163.5	-61.6	-73.5	0	0	0	115.2	F136 L167	F136-F140 AromaticContact CD1-CD2 3.77Å; F136-F140 HydrophobicContact CD1-CD2 3.77Å; F136-F140 HydrophobicContact CD1-CE2 4.36Å; F136-F140 HydrophobicContact CD2-CD2 4.12Å; F136-F140 AromaticContact CD2-CE2 3.99Å; F136-F140 HydrophobicContact CD2-CE2 3.99Å; F136-F140 AromaticContact CE1-CD2 3.38Å; F136-F140 HydrophobicContact CE1-CD2 3.38Å; F136-F140 AromaticContact CE1-CE2 3.77Å; F136-F140 HydrophobicContact CE1-CE2 3.77Å; F136-F140 HydrophobicContact CE1-CG 4.23Å; F136-F140 AromaticContact CE2-CD2 3.77Å; F136-F140 HydrophobicContact CE2-CD2 3.77Å; F136-F140 AromaticContact CE2-CE2 3.34Å; F136-F140 HydrophobicContact CE2-CE2 3.34Å; F136-F140 HydrophobicContact CE2-CZ 4.39Å; F136-F140 HydrophobicContact CG-CD2 4.13Å; F136-F140 HydrophobicContact CG-CE2 4.46Å; F136-F140 AromaticContact CZ-CD2 3.37Å; F136-F140 HydrophobicContact CZ-CD2 3.37Å; F136-F140 AromaticContact CZ-CE2 3.2Å; F136-F140 HydrophobicContact CZ-CE2 3.2Å; F136-F140 HydrophobicContact CZ-CG 4.42Å; F136-F140 HydrophobicContact CZ-CZ 4.14Å; F140-L167 HydrophobicContact CB-CD1 4.07Å; F140-L167 HydrophobicContact CG-CD1 4.2Å
141	T	72.1	Confident	85.7	Confident	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	144.8	-178.8	67.4	0	0	0	0	113.3	Y137 F163 E225	Y137-T141 HydrophobicContact CD2-CG2 3.18Å; Y137-T141 HydrophobicContact CE2-CG2 3.09Å; Y137-T141 WeakPolarHBondContact CE2-OG1 3.48Å; Y137-T141 HydrophobicContact CG-CG2 3.95Å; Y137-T141 PolarHBondContact OH-OG1 3.23Å; T141-F163 HydrophobicContact CG2-CD2 3.15Å; T141-F163 HydrophobicContact CG2-CE2 3.14Å; T141-F163 HydrophobicContact CG2-CG 4.04Å; T141-F163 HydrophobicContact CG2-CZ 4.01Å; T141-E225 WeakPolarHBondContact O-CB 3.42Å
142	V	80.9	Confident	85.9	Confident	8 Å²	8	23.3 Å²	23.3	5%	0.048	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	145.7	178.2	-179.2	0	0	0	0	105.5	D162 N321 V396	V142-D162 CarbonylContact C-O 3.59Å; V142-D162 HydrophobicContact CB-CB 3.99Å; V142-D162 HydrophobicContact CG1-CB 4.36Å; V142-D162 PolarHBondContact N-O 2.93Å; V142-D162 CarbonylContact O-C 3.54Å; V142-D162 VanDerWaalsContact O-CA 3.24Å; V142-D162 WeakPolarHBondContact O-CA 3.29Å; V142-D162 WeakPolarHBondContact O-CB 3.47Å; V142-D162 PolarHBondContact O-N 3.3Å; V142-N321 WeakPolarHBondContact CA-OD1 3.39Å; V142-N321 WeakPolarHBondContact CG1-OD1 3.38Å; V142-V396 HydrophobicContact CG1-CG1 4.23Å
143	C	92.8	Very high	86.3	Confident	0 Å²	0	23 Å²	23	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	153.6	-170	-66.2	0	0	0	0	110.4	R159 N160 N224 T320 N321 R334	C143-R159 VanDerWaalsContact CB-NH2 3.28Å; C143-R159 VanDerWaalsContact SG-CZ 3.5Å; C143-R159 PolarHBondContact SG-NH1 3.08Å; C143-R159 PolarHBondContact SG-NH2 2.83Å; C143-N160 WeakPolarHBondContact CA-O 3.46Å; C143-N224 HydrophobicContact CB-CB 3.9Å; C143-N224 WeakPolarHBondContact CB-OD1 3.09Å; C143-T320 VanDerWaalsContact O-CA 3.26Å; C143-T320 WeakPolarHBondContact O-CA 3.14Å; C143-N321 PolarHBondContact N-OD1 2.87Å; C143-N321 PolarHBondContact O-OD1 3.2Å; C143-R334 PolarHBondContact O-NH1 2.74Å
144	T	97.4	Very high	86.6	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	124.7	161.8	-64.4	0	0	0	0	107.7	R159 N160 L318 T320 R334 L359 I364	T144-R159 CarbonylContact O-C 3.47Å; T144-R159 WeakPolarHBondContact O-CA 3.37Å; T144-R159 WeakPolarHBondContact O-CB 3.45Å; T144-N160 PolarHBondContact N-O 3.29Å; T144-N160 VanDerWaalsContact N-O 3.11Å; T144-N160 PolarHBondContact O-N 3.35Å; T144-L318 HydrophobicContact CG2-CD1 4.43Å; T144-L318 HydrophobicContact CG2-CD2 4.25Å; T144-L318 HydrophobicContact CG2-CG 4.25Å; T144-T320 HydrophobicContact CG2-CG2 4.14Å; T144-R334 PolarHBondContact OG1-NH1 2.99Å; T144-R334 VanDerWaalsContact OG1-NH1 3.09Å; T144-L359 HydrophobicContact CG2-CD2 4.05Å; T144-I364 HydrophobicContact CG2-CG2 3.71Å
145	S	98.7	Very high	87	Confident	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	143.1	177.3	-72.3	0	0	0	0	110	A158 R159 T222 N224 L318 Q319	S145-A158 CarbonylContact C-O 3.54Å; S145-A158 WeakPolarHBondContact CA-O 3.38Å; S145-R159 WeakPolarHBondContact OG-CB 3.43Å; S145-T222 WeakPolarHBondContact CB-OG1 3.46Å; S145-T222 PolarHBondContact OG-OG1 3.35Å; S145-N224 PolarHBondContact OG-OD1 2.78Å; S145-L318 WeakPolarHBondContact O-CA 3.29Å; S145-Q319 PolarHBondContact N-O 2.94Å; S145-Q319 PolarHBondContact O-N 3.14Å
146	V	98.7	Very high	87.9	Confident	2 Å²	2	25.3 Å²	25.3	1%	0.012	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	136.7	176.5	-178.3	0	0	0	0	108.5	A148 A157 A158 L317 L318 M342 L355	V146-A148 HydrophobicContact CG1-CB 4.23Å; V146-A157 CarbonylContact O-C 3.49Å; V146-A157 VanDerWaalsContact O-CA 3.29Å; V146-A157 WeakPolarHBondContact O-CA 3.47Å; V146-A158 PolarHBondContact N-O 3.06Å; V146-A158 PolarHBondContact O-N 3.43Å; V146-L317 WeakPolarHBondContact CA-O 3.22Å; V146-L318 HydrophobicContact CG2-CB 4.31Å; V146-L318 HydrophobicContact CG2-CD1 3.87Å; V146-L318 HydrophobicContact CG2-CG 3.94Å; V146-M342 HydrophobicContact CG1-CE 3.81Å; V146-M342 HydrophobicContact CG1-SD 4.01Å; V146-L355 HydrophobicContact CB-CD2 4.48Å; V146-L355 HydrophobicContact CG1-CD2 3.89Å
147	V	98.7	Very high	89.1	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	131.4	160	58.3	0	0	0	0	107.4	V155 Y156 I282 S284 L307 Y316 L317	V147-V155 HydrophobicContact CG2-CG1 3.61Å; V147-Y156 WeakPolarHBondContact CA-O 3.42Å; V147-I282 HydrophobicContact CB-CG2 4.18Å; V147-I282 HydrophobicContact CG1-CG2 3.99Å; V147-S284 VanDerWaalsContact CG2-CB 3.42Å; V147-L307 HydrophobicContact CG2-CD1 4.04Å; V147-Y316 CarbonylContact O-C 3.58Å; V147-Y316 VanDerWaalsContact O-CA 3.27Å; V147-Y316 WeakPolarHBondContact O-CA 3.39Å; V147-L317 HydrophobicContact CG1-CB 3.78Å; V147-L317 HydrophobicContact CG1-CD1 4.06Å; V147-L317 HydrophobicContact CG1-CG 4.25Å; V147-L317 PolarHBondContact N-O 3.01Å; V147-L317 PolarHBondContact O-N 2.72Å
148	A	98.5	Very high	90.7	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	140.9	-174.5	0	0	0	0	0	111.5	V146 V155 Y156 W315 M342 V350 L355	V146-A148 HydrophobicContact CG1-CB 4.23Å; A148-V155 CarbonylContact O-C 3.48Å; A148-V155 WeakPolarHBondContact O-CA 3.45Å; A148-Y156 PolarHBondContact N-O 3.47Å; A148-Y156 PolarHBondContact O-N 3.43Å; A148-W315 CarbonylContact C-O 3.49Å; A148-W315 VanDerWaalsContact CA-O 3.24Å; A148-W315 WeakPolarHBondContact CA-O 3.48Å; A148-W315 HydrophobicContact CB-CE3 4.39Å; A148-W315 HydrophobicContact CB-CZ3 4.43Å; A148-M342 HydrophobicContact CB-CE 4.01Å; A148-V350 HydrophobicContact CB-CG1 3.6Å; A148-V350 HydrophobicContact CB-CG2 4.09Å; A148-L355 HydrophobicContact CB-CD2 4.46Å
149	E	98.2	Very high	92.4	Very high	5 Å²	5	23.9 Å²	23.9	2%	0.023	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	133.8	172.4	-179.7	173.6	163.2	0	0	109.3	D154 V155 G289 L307 S309 S310 W315	E149-D154 VanDerWaalsContact CA-O 3.29Å; E149-D154 WeakPolarHBondContact CA-O 3.42Å; E149-V155 HydrophobicContact CB-CG2 4.32Å; E149-V155 HydrophobicContact CG-CG2 4.44Å; E149-G289 PolarHBondContact OE2-N 2.87Å; E149-L307 HydrophobicContact CB-CD1 4.12Å; E149-S309 WeakPolarHBondContact OE1-CA 3.42Å; E149-S309 PolarHBondContact OE1-OG 3.35Å; E149-S309 WeakPolarHBondContact OE2-CA 3.41Å; E149-S310 PolarHBondContact OE1-N 2.99Å; E149-S310 VanDerWaalsContact OE1-N 3.08Å; E149-W315 PolarHBondContact N-O 3.04Å
150	N	97	Very high	94.1	Very high	13 Å²	13	20.4 Å²	20.4	7%	0.07	11%	0.11	C	C	.	.			trans	-88.7	174	171.5	75.9	5	0	0	0	111.4	N152 G153 D154 S347 V350	N150-N152 PolarHBondContact O-N 2.92Å; N150-N152 VanDerWaalsContact O-N 3.07Å; N150-N152 WeakPolarHBondContact OD1-CA 3.44Å; N150-N152 WeakPolarHBondContact OD1-CB 3.37Å; N150-N152 PolarHBondContact OD1-N 3.28Å; N150-G153 PolarHBondContact O-N 3.07Å; N150-G153 PolarHBondContact OD1-N 2.97Å; N150-G153 VanDerWaalsContact OD1-N 3.15Å; N150-D154 PolarHBondContact N-O 3.4Å; N150-D154 PolarHBondContact ND2-OD2 3.48Å; N150-D154 WeakPolarHBondContact OD1-CB 3.46Å; N150-D154 PolarHBondContact OD1-N 2.96Å; N150-S347 WeakPolarHBondContact CA-O 3.07Å; N150-S347 WeakPolarHBondContact CB-O 3.38Å; N150-V350 HydrophobicContact CB-CB 3.84Å; N150-V350 HydrophobicContact CB-CG1 4.31Å; N150-V350 WeakPolarHBondContact CB-O 3.29Å
151	D	95.6	Very high	95.5	Very high	97 Å²	97	17.3 Å²	17.3	52%	0.519	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-14.5	-179.2	-66.1	-5.7	0	0	0	114.1	S347 Y348	D151-S347 WeakPolarHBondContact OD1-CB 3.37Å; D151-S347 PolarHBondContact OD1-OG 2.88Å; D151-Y348 WeakPolarHBondContact OD2-CB 3.46Å
152	N	95	Very high	96.5	Very high	139 Å²	139	17.3 Å²	17.3	74%	0.743	10%	0.096	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-3.9	174.7	-58.7	-39.7	0	0	0	112.8	N150	N150-N152 PolarHBondContact O-N 2.92Å; N150-N152 VanDerWaalsContact O-N 3.07Å; N150-N152 WeakPolarHBondContact OD1-CA 3.44Å; N150-N152 WeakPolarHBondContact OD1-CB 3.37Å; N150-N152 PolarHBondContact OD1-N 3.28Å
153	G	95.7	Very high	96.9	Very high	21 Å²	21	17.7 Å²	17.7	22%	0.216	10%	0.097	C	C	.	.	S	Bend	trans	83.4	9.6	-175.5	0	0	0	0	0	114.4	N150 G288	N150-G153 PolarHBondContact O-N 3.07Å; N150-G153 PolarHBondContact OD1-N 2.97Å; N150-G153 VanDerWaalsContact OD1-N 3.15Å; G153-G288 PolarHBondContact O-N 3.32Å
154	D	97.6	Very high	96.2	Very high	40 Å²	40	17.7 Å²	17.7	21%	0.214	10%	0.097	C	C	.	.			trans	-76	130.2	173.8	-62.5	-54.3	0	0	0	110.4	E149 N150 Y156 Y376	E149-D154 VanDerWaalsContact CA-O 3.29Å; E149-D154 WeakPolarHBondContact CA-O 3.42Å; N150-D154 PolarHBondContact N-O 3.4Å; N150-D154 PolarHBondContact ND2-OD2 3.48Å; N150-D154 WeakPolarHBondContact OD1-CB 3.46Å; N150-D154 PolarHBondContact OD1-N 2.96Å; D154-Y156 HydrophobicContact CB-CD2 4.14Å; D154-Y156 HydrophobicContact CB-CE2 3.44Å; D154-Y156 VanDerWaalsContact CB-CE2 3.44Å; D154-Y376 HydrophobicContact CB-CE2 3.89Å; D154-Y376 PolarHBondContact OD1-OH 2.7Å
155	V	98.4	Very high	95.2	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	112	177.7	-169.8	0	0	0	0	111.4	V147 A148 E149 D287 L307 Y376	V147-V155 HydrophobicContact CG2-CG1 3.61Å; A148-V155 CarbonylContact O-C 3.48Å; A148-V155 WeakPolarHBondContact O-CA 3.45Å; E149-V155 HydrophobicContact CB-CG2 4.32Å; E149-V155 HydrophobicContact CG-CG2 4.44Å; V155-D287 VanDerWaalsContact CG2-O 3.23Å; V155-D287 WeakPolarHBondContact CG2-O 3.27Å; V155-L307 HydrophobicContact CG1-CD1 3.92Å; V155-Y376 WeakPolarHBondContact O-CD2 3.39Å
156	Y	98.7	Very high	94.1	Very high	34 Å²	34	26.4 Å²	26.4	13%	0.133	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	150.6	176.1	-65.2	-89.1	0	0	0	111.1	V147 A148 D154 V350 F352 Y376	V147-Y156 WeakPolarHBondContact CA-O 3.42Å; A148-Y156 PolarHBondContact N-O 3.47Å; A148-Y156 PolarHBondContact O-N 3.43Å; D154-Y156 HydrophobicContact CB-CD2 4.14Å; D154-Y156 HydrophobicContact CB-CE2 3.44Å; D154-Y156 VanDerWaalsContact CB-CE2 3.44Å; Y156-V350 HydrophobicContact CD2-CG1 3.94Å; Y156-F352 AromaticContact CD1-CD1 3.78Å; Y156-F352 HydrophobicContact CD1-CD1 3.78Å; Y156-F352 AromaticContact CD1-CE1 3.69Å; Y156-F352 HydrophobicContact CD1-CE1 3.69Å; Y156-F352 HydrophobicContact CE1-CD1 4.15Å; Y156-F352 HydrophobicContact CE1-CE1 4.13Å; Y156-Y376 AromaticContact CD1-CD2 3.84Å; Y156-Y376 HydrophobicContact CD1-CD2 3.84Å; Y156-Y376 HydrophobicContact CD1-CG 4.12Å; Y156-Y376 HydrophobicContact CE1-CD1 4.43Å; Y156-Y376 AromaticContact CE1-CD2 3.73Å; Y156-Y376 HydrophobicContact CE1-CD2 3.73Å; Y156-Y376 HydrophobicContact CE1-CE2 4.25Å; Y156-Y376 AromaticContact CE1-CG 3.85Å; Y156-Y376 HydrophobicContact CE1-CG 3.85Å; Y156-Y376 HydrophobicContact CG-CD2 4.32Å
157	A	98.8	Very high	93.3	Very high	4 Å²	4	26.7 Å²	26.7	3%	0.033	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	144.8	169.5	0	0	0	0	0	110.3	V146 S220 M375	V146-A157 CarbonylContact O-C 3.49Å; V146-A157 VanDerWaalsContact O-CA 3.29Å; V146-A157 WeakPolarHBondContact O-CA 3.47Å; A157-S220 VanDerWaalsContact CB-OG 3.22Å; A157-S220 WeakPolarHBondContact CB-OG 3.34Å; A157-M375 HydrophobicContact CB-CB 4.28Å; A157-M375 HydrophobicContact CB-CE 4.03Å; A157-M375 PolarHBondContact N-O 3.06Å; A157-M375 PolarHBondContact O-N 3.32Å
158	A	98.9	Very high	92.6	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.008	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	152.6	178	0	0	0	0	0	110.5	S145 V146 L355 L359 S373 L374	S145-A158 CarbonylContact C-O 3.54Å; S145-A158 WeakPolarHBondContact CA-O 3.38Å; V146-A158 PolarHBondContact N-O 3.06Å; V146-A158 PolarHBondContact O-N 3.43Å; A158-L355 HydrophobicContact CB-CB 3.75Å; A158-L355 HydrophobicContact CB-CD1 3.85Å; A158-L355 HydrophobicContact CB-CG 4.31Å; A158-L359 HydrophobicContact CB-CD1 3.62Å; A158-S373 CarbonylContact C-O 3.42Å; A158-S373 WeakPolarHBondContact CA-O 3.32Å; A158-L374 HydrophobicContact CB-CD2 3.66Å
159	R	98.6	Very high	92.2	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	149.4	176.6	76	111.7	53.8	178	-8	115.4	C143 T144 S145 L161 T212 T222 I223 N224 T372 S373	C143-R159 VanDerWaalsContact CB-NH2 3.28Å; C143-R159 VanDerWaalsContact SG-CZ 3.5Å; C143-R159 PolarHBondContact SG-NH1 3.08Å; C143-R159 PolarHBondContact SG-NH2 2.83Å; T144-R159 CarbonylContact O-C 3.47Å; T144-R159 WeakPolarHBondContact O-CA 3.37Å; T144-R159 WeakPolarHBondContact O-CB 3.45Å; S145-R159 WeakPolarHBondContact OG-CB 3.43Å; R159-L161 VanDerWaalsContact NH1-CB 3.32Å; R159-L161 VanDerWaalsContact NH1-CD1 3.29Å; R159-T212 WeakPolarHBondContact CD-OG1 3.4Å; R159-T212 HydrophobicContact CG-CG2 4.07Å; R159-T222 HydrophobicContact CB-CG2 4.18Å; R159-T222 HydrophobicContact CG-CG2 3.9Å; R159-I223 PolarHBondContact NH2-O 2.97Å; R159-N224 PolarHBondContact NH2-OD1 3.41Å; R159-T372 CarbonylContact O-C 3.51Å; R159-T372 VanDerWaalsContact O-CA 3.23Å; R159-T372 WeakPolarHBondContact O-CA 3.15Å; R159-S373 PolarHBondContact N-O 3.41Å; R159-S373 PolarHBondContact O-N 2.9Å
160	N	98.4	Very high	91.8	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	130.8	158.7	-80.8	-2.2	0	0	0	109.3	C143 T144 L359 I364 T369 Y371 T372	C143-N160 WeakPolarHBondContact CA-O 3.46Å; T144-N160 PolarHBondContact N-O 3.29Å; T144-N160 VanDerWaalsContact N-O 3.11Å; T144-N160 PolarHBondContact O-N 3.35Å; N160-L359 PolarHBondContact ND2-O 3.18Å; N160-I364 PolarHBondContact ND2-O 2.81Å; N160-T369 HydrophobicContact CB-CG2 3.91Å; N160-Y371 WeakPolarHBondContact CA-O 3.41Å; N160-T372 WeakPolarHBondContact OD1-CB 3.27Å; N160-T372 PolarHBondContact OD1-OG1 2.97Å
161	L	96.2	Very high	91.4	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	116.4	166.4	-174.1	143.3	0	0	0	108.8	R159 F163 F204 L211 V370 Y371	R159-L161 VanDerWaalsContact NH1-CB 3.32Å; R159-L161 VanDerWaalsContact NH1-CD1 3.29Å; L161-F163 HydrophobicContact CD2-CB 3.86Å; L161-F204 HydrophobicContact CD1-CE2 4.44Å; L161-F204 HydrophobicContact CD2-CE2 4Å; L161-F204 HydrophobicContact CD2-CZ 3.56Å; L161-L211 HydrophobicContact CD1-CB 4.22Å; L161-L211 HydrophobicContact CD1-CD1 3.58Å; L161-V370 HydrophobicContact CD2-CB 4.19Å; L161-V370 HydrophobicContact CD2-CG2 4.29Å; L161-V370 PolarHBondContact O-N 3.45Å; L161-Y371 HydrophobicContact CB-CD1 4.05Å; L161-Y371 HydrophobicContact CB-CD2 4.13Å; L161-Y371 HydrophobicContact CB-CE1 3.64Å; L161-Y371 HydrophobicContact CB-CE2 3.72Å; L161-Y371 HydrophobicContact CB-CG 4.29Å; L161-Y371 VanDerWaalsContact CB-CZ 3.46Å; L161-Y371 HydrophobicContact CD1-CE1 3.71Å; L161-Y371 WeakPolarHBondContact CD1-OH 3.31Å; L161-Y371 HydrophobicContact CD2-CD1 4.29Å; L161-Y371 HydrophobicContact CD2-CE1 3.83Å; L161-Y371 HydrophobicContact CG-CE1 3.91Å; L161-Y371 PolarHBondContact N-O 3.31Å
162	D	94	Very high	91.2	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	123	175.9	-48.4	-37.1	0	0	0	108.4	V142 R334 N366 L368 T369	V142-D162 CarbonylContact C-O 3.59Å; V142-D162 HydrophobicContact CB-CB 3.99Å; V142-D162 HydrophobicContact CG1-CB 4.36Å; V142-D162 PolarHBondContact N-O 2.93Å; V142-D162 CarbonylContact O-C 3.54Å; V142-D162 VanDerWaalsContact O-CA 3.24Å; V142-D162 WeakPolarHBondContact O-CA 3.29Å; V142-D162 WeakPolarHBondContact O-CB 3.47Å; V142-D162 PolarHBondContact O-N 3.3Å; D162-R334 IonicContact OD2-CZ 3.69Å; D162-R334 IonicContact OD2-NH1 2.69Å; D162-R334 PolarHBondContact OD2-NH1 2.69Å; D162-N366 PolarHBondContact OD1-ND2 3Å; D162-N366 PolarHBondContact OD2-ND2 3.31Å; D162-L368 VanDerWaalsContact CA-O 3.3Å; D162-L368 WeakPolarHBondContact CA-O 3.49Å; D162-L368 HydrophobicContact CB-CB 3.72Å; D162-T369 WeakPolarHBondContact OD1-CA 3.13Å; D162-T369 VanDerWaalsContact OD1-CB 3.27Å; D162-T369 WeakPolarHBondContact OD1-CB 3.26Å; D162-T369 PolarHBondContact OD1-N 2.79Å; D162-T369 PolarHBondContact OD1-OG1 2.89Å
163	F	88.9	Confident	91	Very high	15 Å²	15	43.4 Å²	43.4	7%	0.066	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	141.8	-177.2	-160.3	-63.4	0	0	0	109.8	F136 Y137 T141 L161 L167 V178 T179 L182 F204 L368 V370	F136-F163 HydrophobicContact CD1-CZ 4.48Å; Y137-F163 HydrophobicContact CD2-CD2 4.34Å; Y137-F163 AromaticContact CD2-CE2 3.89Å; Y137-F163 HydrophobicContact CD2-CE2 3.89Å; T141-F163 HydrophobicContact CG2-CD2 3.15Å; T141-F163 HydrophobicContact CG2-CE2 3.14Å; T141-F163 HydrophobicContact CG2-CG 4.04Å; T141-F163 HydrophobicContact CG2-CZ 4.01Å; L161-F163 HydrophobicContact CD2-CB 3.86Å; F163-L167 HydrophobicContact CE1-CD1 4.13Å; F163-V178 HydrophobicContact CD1-CG1 4.36Å; F163-V178 HydrophobicContact CE1-CG1 4.4Å; F163-T179 WeakPolarHBondContact O-CB 3.32Å; F163-T179 WeakPolarHBondContact O-CG2 3.45Å; F163-T179 PolarHBondContact O-OG1 2.89Å; F163-L182 HydrophobicContact CB-CD1 3.74Å; F163-L182 HydrophobicContact CD1-CD1 3.12Å; F163-L182 HydrophobicContact CD2-CD1 4.2Å; F163-L182 HydrophobicContact CE1-CD1 3.8Å; F163-L182 HydrophobicContact CG-CD1 3.43Å; F163-L182 VanDerWaalsContact CG-CD1 3.43Å; F163-F204 HydrophobicContact CD2-CE2 4.27Å; F163-L368 PolarHBondContact N-O 3.18Å; F163-V370 HydrophobicContact CB-CG2 4.02Å
164	G	78.7	Confident	90.8	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	22%	0.217	C	C	.	.			trans	117.9	10	170.1	0	0	0	0	0	113.5	L166 L167 L368	G164-L166 PolarHBondContact O-N 2.85Å; G164-L167 WeakPolarHBondContact O-CB 3.44Å; G164-L167 PolarHBondContact O-N 3.47Å; G164-L368 VanDerWaalsContact C-CD2 3.47Å
165	F	75.9	Confident	90.6	Very high	72 Å²	72	45 Å²	45	32%	0.316	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	125.3	-176	-174.3	-123.2	0	0	0	110.3	L167 W176 L368 V396	F165-L167 PolarHBondContact O-N 2.97Å; F165-W176 HydrophobicContact CD2-CH2 4.23Å; F165-W176 AromaticContact CD2-CZ2 3.93Å; F165-W176 HydrophobicContact CD2-CZ2 3.93Å; F165-W176 HydrophobicContact CE2-CH2 4.4Å; F165-W176 HydrophobicContact CE2-CZ2 4.18Å; F165-L368 HydrophobicContact CB-CD1 3.76Å; F165-L368 HydrophobicContact CB-CD2 4.18Å; F165-L368 HydrophobicContact CD2-CD1 3.88Å; F165-L368 HydrophobicContact CG-CD1 4.17Å; F165-L368 VanDerWaalsContact N-CD2 3.32Å; F165-V396 HydrophobicContact CD2-CG2 3.6Å; F165-V396 HydrophobicContact CE2-CG2 3.36Å; F165-V396 HydrophobicContact CZ-CG2 4.19Å
166	L	75.1	Confident	90.3	Very high	112 Å²	112	45.9 Å²	45.9	59%	0.586	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.1	11.4	-177.1	-52.6	174.9	0	0	0	115.2	G164 G168 W176	G164-L166 PolarHBondContact O-N 2.85Å; L166-G168 PolarHBondContact O-N 2.94Å; L166-W176 VanDerWaalsContact CA-CZ3 3.5Å; L166-W176 HydrophobicContact CD2-CH2 4.15Å; L166-W176 VanDerWaalsContact N-CZ3 3.29Å
167	L	81.7	Confident	90	Very high	8 Å²	8	46.8 Å²	46.8	4%	0.042	22%	0.223	C	C	.	.	S	Bend	trans	-99.6	56	179.9	-61.1	172.6	0	0	0	111.6	F136 F140 F163 G164 F165 V178	F136-L167 HydrophobicContact CD1-CD1 4.43Å; F136-L167 HydrophobicContact CE1-CD1 3.56Å; F136-L167 HydrophobicContact CE1-CD2 3.93Å; F136-L167 HydrophobicContact CE1-CG 4.42Å; F136-L167 HydrophobicContact CZ-CD1 4.37Å; F136-L167 HydrophobicContact CZ-CD2 3.92Å; F140-L167 HydrophobicContact CB-CD1 4.07Å; F140-L167 HydrophobicContact CG-CD1 4.2Å; F163-L167 HydrophobicContact CE1-CD1 4.13Å; G164-L167 WeakPolarHBondContact O-CB 3.44Å; G164-L167 PolarHBondContact O-N 3.47Å; F165-L167 PolarHBondContact O-N 2.97Å; L167-V178 HydrophobicContact CB-CB 3.81Å; L167-V178 HydrophobicContact CB-CG1 4.35Å; L167-V178 HydrophobicContact CB-CG2 3.73Å; L167-V178 HydrophobicContact CD1-CG1 4.17Å; L167-V178 WeakPolarHBondContact O-CG2 3.45Å; L167-V178 PolarHBondContact O-N 2.83Å
168	G	84.9	Confident	89.7	Confident	16 Å²	16	46.6 Å²	46.6	17%	0.165	22%	0.221	C	C	.	.			trans	86.8	123.4	176.9	0	0	0	0	0	113.3	L166 W176 V177	L166-G168 PolarHBondContact O-N 2.94Å; G168-W176 CarbonylContact O-C 3.56Å; G168-W176 WeakPolarHBondContact O-CA 3.23Å; G168-V177 PolarHBondContact O-N 3.33Å
169	W	89.2	Confident	89.4	Confident	48 Å²	48	46.6 Å²	46.6	18%	0.182	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	126.3	175.6	-178.5	-107.5	0	0	0	110.6	F171 H174 Q175 W176 Y395	W169-F171 AromaticContact CD1-CD1 3.62Å; W169-F171 AromaticContact CD1-CD2 3.83Å; W169-F171 AromaticContact CD1-CE1 3.68Å; W169-F171 AromaticContact CD1-CE2 3.88Å; W169-F171 AromaticContact CD1-CG 3.7Å; W169-F171 AromaticContact CD1-CZ 3.81Å; W169-F171 AromaticContact NE1-CD1 3.86Å; W169-H174 HydrophobicContact CH2-CB 4.17Å; W169-H174 WeakPolarHBondContact CH2-O 3.3Å; W169-H174 HydrophobicContact CZ2-CB 3.73Å; W169-Q175 VanDerWaalsContact CE3-C 3.44Å; W169-Q175 VanDerWaalsContact CZ3-C 3.42Å; W169-W176 HydrophobicContact CB-CE3 4.38Å; W169-W176 HydrophobicContact CB-CZ3 4.19Å; W169-W176 AromaticContact CE3-CD2 3.6Å; W169-W176 HydrophobicContact CE3-CD2 3.6Å; W169-W176 AromaticContact CE3-CE2 3.73Å; W169-W176 AromaticContact CE3-CE3 3.95Å; W169-W176 HydrophobicContact CE3-CE3 3.95Å; W169-W176 AromaticContact CE3-CG 3.88Å; W169-W176 HydrophobicContact CE3-CG 3.88Å; W169-W176 HydrophobicContact CE3-CH2 4.47Å; W169-W176 HydrophobicContact CE3-CZ2 4.2Å; W169-W176 HydrophobicContact CE3-CZ3 4.35Å; W169-W176 AromaticContact CZ3-CD1 3.74Å; W169-W176 HydrophobicContact CZ3-CD2 4Å; W169-W176 AromaticContact CZ3-CE2 3.86Å; W169-W176 AromaticContact CZ3-CG 3.93Å; W169-W176 HydrophobicContact CZ3-CG 3.93Å; W169-W176 AromaticContact CZ3-NE1 3.72Å; W169-Y395 HydrophobicContact CD2-CE1 4.49Å; W169-Y395 AromaticContact CE2-CE1 3.82Å; W169-Y395 HydrophobicContact CE3-CD1 4.38Å; W169-Y395 AromaticContact CH2-CD1 3.47Å; W169-Y395 HydrophobicContact CH2-CD1 3.47Å; W169-Y395 VanDerWaalsContact CH2-CD1 3.47Å; W169-Y395 AromaticContact CH2-CE1 3.45Å; W169-Y395 HydrophobicContact CH2-CE1 3.45Å; W169-Y395 VanDerWaalsContact CH2-CE1 3.45Å; W169-Y395 AromaticContact CZ2-CD1 3.8Å; W169-Y395 HydrophobicContact CZ2-CD1 3.8Å; W169-Y395 AromaticContact CZ2-CE1 3.27Å; W169-Y395 HydrophobicContact CZ2-CE1 3.27Å; W169-Y395 AromaticContact CZ3-CD1 3.81Å; W169-Y395 HydrophobicContact CZ3-CD1 3.81Å; W169-Y395 HydrophobicContact CZ3-CE1 4.17Å
170	D	90.1	Very high	89.2	Confident	49 Å²	49	48.7 Å²	48.7	26%	0.262	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	105.5	169.9	-171	-38.3	0	0	0	109.4	K172 Q173 H174 Q175 V177	D170-K172 PolarHBondContact O-N 3.06Å; D170-K172 WeakPolarHBondContact OD1-CA 3.46Å; D170-K172 WeakPolarHBondContact OD1-CB 3.39Å; D170-K172 PolarHBondContact OD1-N 3.07Å; D170-Q173 HydrophobicContact CB-CB 4.26Å; D170-Q173 PolarHBondContact OD1-N 2.88Å; D170-H174 VanDerWaalsContact O-CA 3.26Å; D170-H174 WeakPolarHBondContact O-CA 3.36Å; D170-H174 PolarHBondContact O-N 2.88Å; D170-Q175 PolarHBondContact N-O 3.25Å; D170-Q175 PolarHBondContact O-N 2.83Å; D170-V177 HydrophobicContact CB-CG2 4.26Å
171	F	88.9	Confident	89.1	Confident	167 Å²	167	49.6 Å²	49.6	73%	0.732	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-13.9	179	-70	-88.7	0	0	0	114.4	W169 H174	W169-F171 AromaticContact CD1-CD1 3.62Å; W169-F171 AromaticContact CD1-CD2 3.83Å; W169-F171 AromaticContact CD1-CE1 3.68Å; W169-F171 AromaticContact CD1-CE2 3.88Å; W169-F171 AromaticContact CD1-CG 3.7Å; W169-F171 AromaticContact CD1-CZ 3.81Å; W169-F171 AromaticContact NE1-CD1 3.86Å; F171-H174 PolarHBondContact O-CD2 3.34Å; F171-H174 PolarHBondContact O-NE2 3.31Å
172	K	91.2	Very high	89	Confident	197 Å²	197	49.7 Å²	49.7	86%	0.857	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.3	-43.9	176.3	-64.6	-177.8	178.8	179.8	0	111.3	D170	D170-K172 PolarHBondContact O-N 3.06Å; D170-K172 WeakPolarHBondContact OD1-CA 3.46Å; D170-K172 WeakPolarHBondContact OD1-CB 3.39Å; D170-K172 PolarHBondContact OD1-N 3.07Å
173	Q	91.5	Very high	89.1	Confident	128 Å²	128	50.3 Å²	50.3	60%	0.598	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-14.1	-178.3	-62.1	-166	-18.1	0	0	112.9	D170 Q175	D170-Q173 HydrophobicContact CB-CB 4.26Å; D170-Q173 PolarHBondContact OD1-N 2.88Å; Q173-Q175 VanDerWaalsContact C-N 3.33Å; Q173-Q175 HydrophobicContact CB-CB 4.41Å; Q173-Q175 HydrophobicContact CB-CG 4.32Å; Q173-Q175 WeakPolarHBondContact O-CG 3.49Å
174	H	91.4	Very high	89.5	Confident	80 Å²	80	54.3 Å²	54.3	37%	0.37	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.5	51.1	-171.6	-56.7	166.8	0	0	0	111.3	W169 D170 F171 K367 D391	W169-H174 HydrophobicContact CH2-CB 4.17Å; W169-H174 WeakPolarHBondContact CH2-O 3.3Å; W169-H174 HydrophobicContact CZ2-CB 3.73Å; D170-H174 VanDerWaalsContact O-CA 3.26Å; D170-H174 WeakPolarHBondContact O-CA 3.36Å; D170-H174 PolarHBondContact O-N 2.88Å; F171-H174 PolarHBondContact O-CD2 3.34Å; F171-H174 PolarHBondContact O-NE2 3.31Å; H174-K367 WeakPolarHBondContact O-CD 3.24Å; H174-K367 WeakPolarHBondContact O-CE 3.31Å; H174-K367 PolarHBondContact O-NZ 2.97Å; H174-D391 IonicContact CE1-OD2 2.67Å; H174-D391 IonicContact CG-OD2 3.63Å; H174-D391 IonicContact ND1-OD2 2.96Å; H174-D391 PolarHBondContact ND1-OD2 3.3Å
175	Q	92.5	Very high	90.4	Very high	13 Å²	13	54.3 Å²	54.3	6%	0.061	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	154.8	-178.5	-66.3	-67.5	-8.3	0	0	111.1	W169 D170 Q173 E180 K367 N388	W169-Q175 VanDerWaalsContact CE3-C 3.44Å; W169-Q175 VanDerWaalsContact CZ3-C 3.42Å; D170-Q175 PolarHBondContact N-O 3.25Å; D170-Q175 PolarHBondContact O-N 2.83Å; Q173-Q175 VanDerWaalsContact C-N 3.33Å; Q173-Q175 HydrophobicContact CB-CB 4.41Å; Q173-Q175 HydrophobicContact CB-CG 4.32Å; Q173-Q175 WeakPolarHBondContact O-CG 3.49Å; Q175-E180 HydrophobicContact CB-CG 3.83Å; Q175-E180 WeakPolarHBondContact CB-OE1 3.23Å; Q175-E180 HydrophobicContact CG-CG 4.37Å; Q175-E180 WeakPolarHBondContact CG-OE1 3.01Å; Q175-E180 PolarHBondContact OE1-OE1 3.19Å; Q175-K367 VanDerWaalsContact NE2-NZ 3.13Å; Q175-N388 PolarHBondContact NE2-OD1 2.86Å; Q175-N388 VanDerWaalsContact NE2-OD1 3.1Å
176	W	92.6	Very high	91.4	Very high	19 Å²	19	51.2 Å²	51.2	7%	0.072	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	122.4	172	-67.9	107.4	0	0	0	109.8	F165 L166 G168 W169 V178 T179 E180 L368 Y395	F165-W176 HydrophobicContact CD2-CH2 4.23Å; F165-W176 AromaticContact CD2-CZ2 3.93Å; F165-W176 HydrophobicContact CD2-CZ2 3.93Å; F165-W176 HydrophobicContact CE2-CH2 4.4Å; F165-W176 HydrophobicContact CE2-CZ2 4.18Å; L166-W176 VanDerWaalsContact CA-CZ3 3.5Å; L166-W176 HydrophobicContact CD2-CH2 4.15Å; L166-W176 VanDerWaalsContact N-CZ3 3.29Å; G168-W176 CarbonylContact O-C 3.56Å; G168-W176 WeakPolarHBondContact O-CA 3.23Å; W169-W176 HydrophobicContact CB-CE3 4.38Å; W169-W176 HydrophobicContact CB-CZ3 4.19Å; W169-W176 AromaticContact CE3-CD2 3.6Å; W169-W176 HydrophobicContact CE3-CD2 3.6Å; W169-W176 AromaticContact CE3-CE2 3.73Å; W169-W176 AromaticContact CE3-CE3 3.95Å; W169-W176 HydrophobicContact CE3-CE3 3.95Å; W169-W176 AromaticContact CE3-CG 3.88Å; W169-W176 HydrophobicContact CE3-CG 3.88Å; W169-W176 HydrophobicContact CE3-CH2 4.47Å; W169-W176 HydrophobicContact CE3-CZ2 4.2Å; W169-W176 HydrophobicContact CE3-CZ3 4.35Å; W169-W176 AromaticContact CZ3-CD1 3.74Å; W169-W176 HydrophobicContact CZ3-CD2 4Å; W169-W176 AromaticContact CZ3-CE2 3.86Å; W169-W176 AromaticContact CZ3-CG 3.93Å; W169-W176 HydrophobicContact CZ3-CG 3.93Å; W169-W176 AromaticContact CZ3-NE1 3.72Å; W176-V178 PolarHBondContact O-N 3.04Å; W176-T179 WeakPolarHBondContact CB-OG1 3Å; W176-T179 WeakPolarHBondContact O-CB 3.19Å; W176-T179 PolarHBondContact O-N 2.85Å; W176-E180 PolarHBondContact O-N 2.72Å; W176-L368 HydrophobicContact CB-CD2 4.22Å; W176-L368 HydrophobicContact CD2-CD2 3.97Å; W176-L368 HydrophobicContact CG-CD2 3.57Å; W176-L368 HydrophobicContact CG-CG 4.45Å; W176-Y395 PolarHBondContact NE1-O 3.08Å
177	V	92.7	Very high	92.6	Very high	54 Å²	54	45.9 Å²	45.9	33%	0.327	22%	0.217	S	C	.	.	H	α-helix	trans	-59.4	-49.6	-172.6	176.5	0	0	0	0	110.9	A80 G168 D170 T179 E180 V181	A80-V177 HydrophobicContact CB-CG1 4.3Å; G168-V177 PolarHBondContact O-N 3.33Å; D170-V177 HydrophobicContact CB-CG2 4.26Å; V177-T179 VanDerWaalsContact C-N 3.34Å; V177-T179 PolarHBondContact O-N 3.48Å; V177-E180 PolarHBondContact O-N 2.01Å; V177-V181 WeakPolarHBondContact O-CG2 3.3Å; V177-V181 PolarHBondContact O-N 3.28Å
178	V	91.7	Very high	93.4	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-66.7	-36.2	179.3	166.6	0	0	0	0	111.8	L77 A80 I81 F163 L167 W176 E180 V181 L182	L77-V178 HydrophobicContact CD1-CG1 3.85Å; A80-V178 HydrophobicContact CB-CG2 4.07Å; I81-V178 HydrophobicContact CG1-CG2 4.26Å; F163-V178 HydrophobicContact CD1-CG1 4.36Å; F163-V178 HydrophobicContact CE1-CG1 4.4Å; L167-V178 HydrophobicContact CB-CB 3.81Å; L167-V178 HydrophobicContact CB-CG1 4.35Å; L167-V178 HydrophobicContact CB-CG2 3.73Å; L167-V178 HydrophobicContact CD1-CG1 4.17Å; L167-V178 WeakPolarHBondContact O-CG2 3.45Å; L167-V178 PolarHBondContact O-N 2.83Å; W176-V178 PolarHBondContact O-N 3.04Å; V178-E180 PolarHBondContact O-N 2.73Å; V178-V181 PolarHBondContact O-N 3.21Å; V178-L182 HydrophobicContact CG1-CD1 3.83Å; V178-L182 HydrophobicContact CG1-CG 4.25Å; V178-L182 WeakPolarHBondContact O-CG 3.24Å; V178-L182 PolarHBondContact O-N 3.07Å
179	T	93.5	Very high	94	Very high	0 Å²	0	45 Å²	45	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-59.4	-45.3	175.6	-49.8	0	0	0	0	111.5	F163 W176 V177 V181 L182 R183 L368 V370	F163-T179 WeakPolarHBondContact O-CB 3.32Å; F163-T179 WeakPolarHBondContact O-CG2 3.45Å; F163-T179 PolarHBondContact O-OG1 2.89Å; W176-T179 WeakPolarHBondContact CB-OG1 3Å; W176-T179 WeakPolarHBondContact O-CB 3.19Å; W176-T179 PolarHBondContact O-N 2.85Å; V177-T179 VanDerWaalsContact C-N 3.34Å; V177-T179 PolarHBondContact O-N 3.48Å; T179-V181 VanDerWaalsContact C-N 3.32Å; T179-V181 PolarHBondContact O-N 2.9Å; T179-L182 PolarHBondContact O-N 2.76Å; T179-R183 WeakPolarHBondContact O-CG 3.2Å; T179-R183 PolarHBondContact O-N 3.21Å; T179-L368 WeakPolarHBondContact CG2-O 3.43Å; T179-V370 HydrophobicContact CG2-CG2 3.67Å
180	E	94.8	Very high	94.5	Very high	45 Å²	45	44.6 Å²	44.6	21%	0.21	21%	0.209	C	C	.	.	H	α-helix	trans	-64.7	-35.4	178.2	-68.8	-62.6	163.3	0	0	112.9	Q175 W176 V177 V178 R183 Q184	Q175-E180 HydrophobicContact CB-CG 3.83Å; Q175-E180 WeakPolarHBondContact CB-OE1 3.23Å; Q175-E180 HydrophobicContact CG-CG 4.37Å; Q175-E180 WeakPolarHBondContact CG-OE1 3.01Å; Q175-E180 PolarHBondContact OE1-OE1 3.19Å; W176-E180 PolarHBondContact O-N 2.72Å; V177-E180 PolarHBondContact O-N 2.01Å; V178-E180 PolarHBondContact O-N 2.73Å; E180-R183 IonicContact OE1-CZ 2.78Å; E180-R183 IonicContact OE1-NH1 3.89Å; E180-R183 PolarHBondContact OE1-NH1 2.82Å; E180-R183 IonicContact OE2-NH1 3.18Å; E180-R183 PolarHBondContact OE2-NH1 3.46Å; E180-Q184 PolarHBondContact O-NE2 2.69Å
181	V	94.9	Very high	94.9	Very high	19 Å²	19	42.3 Å²	42.3	12%	0.115	20%	0.196	C	C	.	.	H	α-helix	trans	-67.9	-43	174	179.5	0	0	0	0	110.5	K76 L77 A80 V177 V178 T179 R183 Q184 M185	K76-V181 HydrophobicContact CB-CG1 4.18Å; L77-V181 HydrophobicContact CB-CG1 3.84Å; L77-V181 HydrophobicContact CD1-CG1 4.27Å; A80-V181 HydrophobicContact CB-CG2 4.43Å; V177-V181 WeakPolarHBondContact O-CG2 3.3Å; V177-V181 PolarHBondContact O-N 3.28Å; V178-V181 PolarHBondContact O-N 3.21Å; T179-V181 VanDerWaalsContact C-N 3.32Å; T179-V181 PolarHBondContact O-N 2.9Å; V181-R183 VanDerWaalsContact C-N 3.33Å; V181-R183 PolarHBondContact O-N 2.84Å; V181-Q184 WeakPolarHBondContact O-CB 3.44Å; V181-Q184 PolarHBondContact O-N 3Å; V181-Q184 VanDerWaalsContact O-N 3.11Å; V181-M185 HydrophobicContact CG1-SD 4.21Å
182	L	95.1	Very high	95.4	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.005	17%	0.169	C	C	.	.	H	α-helix	trans	-64.1	-34.5	178.9	-73.6	170.8	0	0	0	113.1	L77 F163 V178 T179 Q184 M185 V186 F204 V370	L77-L182 HydrophobicContact CD1-CD2 4.03Å; L77-L182 HydrophobicContact CD1-CG 4.13Å; L77-L182 HydrophobicContact CD2-CD2 3.87Å; F163-L182 HydrophobicContact CB-CD1 3.74Å; F163-L182 HydrophobicContact CD1-CD1 3.12Å; F163-L182 HydrophobicContact CD2-CD1 4.2Å; F163-L182 HydrophobicContact CE1-CD1 3.8Å; F163-L182 HydrophobicContact CG-CD1 3.43Å; F163-L182 VanDerWaalsContact CG-CD1 3.43Å; V178-L182 HydrophobicContact CG1-CD1 3.83Å; V178-L182 HydrophobicContact CG1-CG 4.25Å; V178-L182 WeakPolarHBondContact O-CG 3.24Å; V178-L182 PolarHBondContact O-N 3.07Å; T179-L182 PolarHBondContact O-N 2.76Å; L182-Q184 PolarHBondContact O-N 3.2Å; L182-M185 WeakPolarHBondContact O-CA 3.46Å; L182-M185 PolarHBondContact O-N 2.8Å; L182-V186 WeakPolarHBondContact O-CG2 3.31Å; L182-V186 PolarHBondContact O-N 3.42Å; L182-F204 HydrophobicContact CB-CD1 4.3Å; L182-F204 HydrophobicContact CB-CE1 3.8Å; L182-F204 HydrophobicContact CB-CZ 4.22Å; L182-F204 HydrophobicContact CD1-CZ 4.35Å; L182-F204 HydrophobicContact CD2-CD1 3.95Å; L182-F204 HydrophobicContact CD2-CD2 4.24Å; L182-F204 HydrophobicContact CD2-CE1 4.05Å; L182-F204 HydrophobicContact CD2-CE2 4.33Å; L182-F204 HydrophobicContact CD2-CG 4.04Å; L182-F204 HydrophobicContact CD2-CZ 4.21Å; L182-F204 HydrophobicContact CG-CE1 4.39Å; L182-V370 HydrophobicContact CB-CG1 4.3Å; L182-V370 HydrophobicContact CB-CG2 4.38Å
183	R	96.4	Very high	95.7	Very high	14 Å²	14	33.4 Å²	33.4	5%	0.053	15%	0.154	C	C	.	.	H	α-helix	trans	-55.4	-33.9	173	-75.2	178	-178.1	120.7	7	112.3	T179 E180 V181 M185 K367 T369 V370 I386 Q387	T179-R183 WeakPolarHBondContact O-CG 3.2Å; T179-R183 PolarHBondContact O-N 3.21Å; E180-R183 IonicContact OE1-CZ 2.78Å; E180-R183 IonicContact OE1-NH1 3.89Å; E180-R183 PolarHBondContact OE1-NH1 2.82Å; E180-R183 IonicContact OE2-NH1 3.18Å; E180-R183 PolarHBondContact OE2-NH1 3.46Å; V181-R183 VanDerWaalsContact C-N 3.33Å; V181-R183 PolarHBondContact O-N 2.84Å; R183-M185 PolarHBondContact O-N 2.78Å; R183-K367 PolarHBondContact NH2-O 2.56Å; R183-T369 PolarHBondContact NE-O 2.8Å; R183-T369 PolarHBondContact NH2-O 3.32Å; R183-V370 HydrophobicContact CB-CG1 4.48Å; R183-V370 HydrophobicContact CG-CB 4.49Å; R183-V370 HydrophobicContact CG-CG1 3.84Å; R183-I386 HydrophobicContact CB-CG2 4.13Å; R183-I386 HydrophobicContact CG-CG2 4.1Å; R183-I386 WeakPolarHBondContact O-CD1 3.3Å; R183-Q387 PolarHBondContact NE-O 2.95Å
184	Q	96.9	Very high	96	Very high	98 Å²	98	32.5 Å²	32.5	46%	0.458	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-3.7	178.2	-60.4	171.6	38.5	0	0	113.5	Q73 E180 V181 L182	Q73-Q184 HydrophobicContact CG-CB 4.26Å; E180-Q184 PolarHBondContact O-NE2 2.69Å; V181-Q184 WeakPolarHBondContact O-CB 3.44Å; V181-Q184 PolarHBondContact O-N 3Å; V181-Q184 VanDerWaalsContact O-N 3.11Å; L182-Q184 PolarHBondContact O-N 3.2Å
185	M	97.1	Very high	96.2	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.6	0	-175.4	-63.9	178	60.9	0	0	112.5	Q73 I74 L77 Y133 V181 L182 R183 I187 F204 A205	Q73-M185 HydrophobicContact CB-CG 3.53Å; Q73-M185 HydrophobicContact CB-SD 3.97Å; Q73-M185 HydrophobicContact CG-CG 4.37Å; I74-M185 HydrophobicContact CB-CE 4.24Å; I74-M185 HydrophobicContact CG1-CE 3.49Å; I74-M185 VanDerWaalsContact CG1-CE 3.49Å; L77-M185 HydrophobicContact CB-SD 3.95Å; L77-M185 HydrophobicContact CD2-CE 4.05Å; L77-M185 HydrophobicContact CD2-SD 4.06Å; Y133-M185 HydrophobicContact CE1-CE 4.25Å; Y133-M185 WeakPolarHBondContact OH-CE 3.27Å; V181-M185 HydrophobicContact CG1-SD 4.21Å; L182-M185 WeakPolarHBondContact O-CA 3.46Å; L182-M185 PolarHBondContact O-N 2.8Å; R183-M185 PolarHBondContact O-N 2.78Å; M185-I187 PolarHBondContact O-N 2.76Å; M185-F204 HydrophobicContact CB-CD1 4.43Å; M185-F204 CarbonylContact O-C 3.51Å; M185-F204 VanDerWaalsContact O-CA 3.27Å; M185-F204 WeakPolarHBondContact O-CA 3.35Å; M185-A205 WeakPolarHBondContact CE-O 3.12Å; M185-A205 PolarHBondContact O-N 3.19Å
186	V	98.1	Very high	96.5	Very high	7 Å²	7	41.7 Å²	41.7	4%	0.042	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	127.4	179.4	-171.2	0	0	0	0	109.2	V48 L182 G203 F204 V370 Y371 T384 I386	V48-V186 HydrophobicContact CB-CG1 4.49Å; V48-V186 HydrophobicContact CG1-CG1 3.94Å; V48-V186 HydrophobicContact CG2-CB 4.27Å; V48-V186 HydrophobicContact CG2-CG1 3.67Å; L182-V186 WeakPolarHBondContact O-CG2 3.31Å; L182-V186 PolarHBondContact O-N 3.42Å; V186-G203 WeakPolarHBondContact CA-O 3.12Å; V186-F204 HydrophobicContact CG2-CD1 4.29Å; V186-F204 HydrophobicContact CG2-CE1 3.99Å; V186-V370 HydrophobicContact CG2-CG1 3.57Å; V186-Y371 HydrophobicContact CG1-CD1 3.8Å; V186-Y371 HydrophobicContact CG1-CE1 4.49Å; V186-Y371 HydrophobicContact CG1-CG 4.12Å; V186-Y371 HydrophobicContact CG2-CD1 4.09Å; V186-T384 HydrophobicContact CG1-CG2 4.21Å; V186-I386 HydrophobicContact CB-CD1 4.42Å; V186-I386 HydrophobicContact CB-CG1 4.1Å; V186-I386 HydrophobicContact CG2-CG1 4.18Å
187	I	98.6	Very high	96.7	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	148.2	176.8	57.7	172.3	0	0	0	110.6	V48 I66 Y70 M185 I189 G203 A205	V48-I187 VanDerWaalsContact CG1-CA 3.41Å; I66-I187 HydrophobicContact CD1-CD1 4.25Å; I66-I187 HydrophobicContact CG2-CD1 3.76Å; Y70-I187 HydrophobicContact CE1-CG2 4.17Å; Y70-I187 HydrophobicContact CE2-CG2 3.83Å; Y70-I187 VanDerWaalsContact OH-CG2 3.29Å; Y70-I187 WeakPolarHBondContact OH-CG2 3.38Å; M185-I187 PolarHBondContact O-N 2.76Å; I187-I189 HydrophobicContact CD1-CD1 3.96Å; I187-I189 HydrophobicContact CD1-CG1 3.81Å; I187-I189 HydrophobicContact CG1-CD1 4.25Å; I187-I189 HydrophobicContact CG1-CG1 4Å; I187-G203 PolarHBondContact N-O 3.22Å; I187-G203 PolarHBondContact O-N 3.05Å; I187-A205 HydrophobicContact CD1-CB 4.15Å; I187-A205 HydrophobicContact CG2-CB 4.49Å
188	N	98.9	Very high	97	Very high	3 Å²	3	42.1 Å²	42.1	2%	0.016	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	140.6	161.7	-71.2	-39.2	0	0	0	108.2	V48 D49 W50 H51 S201 T384	V48-N188 HydrophobicContact CG1-CB 4.27Å; V48-N188 VanDerWaalsContact CG1-N 3.25Å; V48-N188 PolarHBondContact O-ND2 2.78Å; D49-N188 PolarHBondContact O-N 2.94Å; W50-N188 CarbonylContact C-O 3.47Å; W50-N188 WeakPolarHBondContact CA-O 3.33Å; W50-N188 HydrophobicContact CD2-CB 3.49Å; W50-N188 VanDerWaalsContact CD2-CB 3.49Å; W50-N188 HydrophobicContact CE3-CB 3.66Å; W50-N188 HydrophobicContact CG-CB 3.99Å; W50-N188 HydrophobicContact CH2-CB 3.98Å; W50-N188 HydrophobicContact CZ2-CB 3.87Å; W50-N188 HydrophobicContact CZ3-CB 3.9Å; H51-N188 PolarHBondContact N-O 2.82Å; N188-S201 CarbonylContact C-O 3.58Å; N188-S201 WeakPolarHBondContact CA-O 3.31Å; N188-T384 VanDerWaalsContact OD1-CB 3.23Å; N188-T384 WeakPolarHBondContact OD1-CB 3.38Å; N188-T384 PolarHBondContact OD1-OG1 2.85Å
189	I	98.9	Very high	97.4	Very high	2 Å²	2	42.1 Å²	42.1	1%	0.01	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	124.6	-177.6	-53.1	165.5	0	0	0	108.4	H51 V53 W63 I187 W191 K200 S201	H51-I189 CarbonylContact O-C 3.59Å; H51-I189 WeakPolarHBondContact O-CA 3.25Å; V53-I189 HydrophobicContact CB-CG2 3.94Å; V53-I189 HydrophobicContact CG2-CG2 3.58Å; W63-I189 HydrophobicContact CH2-CD1 3.74Å; W63-I189 HydrophobicContact CZ3-CD1 4.04Å; I187-I189 HydrophobicContact CD1-CD1 3.96Å; I187-I189 HydrophobicContact CD1-CG1 3.81Å; I187-I189 HydrophobicContact CG1-CD1 4.25Å; I187-I189 HydrophobicContact CG1-CG1 4Å; I189-W191 HydrophobicContact CD1-CZ2 4.24Å; I189-W191 HydrophobicContact CG2-CD2 4.05Å; I189-W191 HydrophobicContact CG2-CG 4.19Å; I189-W191 HydrophobicContact CG2-CZ2 4.24Å; I189-K200 CarbonylContact O-C 3.59Å; I189-K200 VanDerWaalsContact O-CA 3.28Å; I189-K200 WeakPolarHBondContact O-CA 3.3Å; I189-S201 PolarHBondContact N-O 2.98Å; I189-S201 PolarHBondContact O-N 3.22Å
190	E	98.7	Very high	97.6	Very high	41 Å²	41	44.3 Å²	44.3	19%	0.192	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	113.1	165.8	-170.4	168.7	-138.2	0	0	109.2	W50 H51 V52 V53 K192 T197 K200	W50-E190 HydrophobicContact CE3-CB 4.16Å; W50-E190 HydrophobicContact CZ3-CB 4.25Å; H51-E190 PolarHBondContact O-N 2.93Å; V52-E190 WeakPolarHBondContact CA-O 3.45Å; V52-E190 HydrophobicContact CG2-CB 4.48Å; V53-E190 PolarHBondContact N-O 2.72Å; E190-K192 VanDerWaalsContact CD-CE 3.43Å; E190-K192 HydrophobicContact CG-CG 4.12Å; E190-K192 WeakPolarHBondContact OE2-CE 3.2Å; E190-K192 IonicContact OE2-NZ 2.76Å; E190-K192 PolarHBondContact OE2-NZ 3.42Å; E190-T197 VanDerWaalsContact CD-OG1 3.23Å; E190-T197 HydrophobicContact CG-CG2 3.69Å; E190-T197 WeakPolarHBondContact OE1-CG2 3.17Å; E190-T197 PolarHBondContact OE1-OG1 3.25Å; E190-K200 HydrophobicContact CG-CG 4.45Å
191	W	98.7	Very high	97.8	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	113.3	-179.3	-60.9	81.8	0	0	0	109.1	V53 L55 W63 I189 V198 F199 S201 V210 R254	V53-W191 HydrophobicContact CB-CD2 4.27Å; V53-W191 HydrophobicContact CB-CE3 3.78Å; V53-W191 HydrophobicContact CB-CZ3 4.04Å; V53-W191 HydrophobicContact CG1-CD2 4.49Å; V53-W191 HydrophobicContact CG1-CE3 3.54Å; V53-W191 HydrophobicContact CG1-CH2 4.48Å; V53-W191 HydrophobicContact CG1-CZ3 3.51Å; V53-W191 HydrophobicContact CG2-CZ3 4.48Å; L55-W191 HydrophobicContact CD1-CB 4.38Å; L55-W191 HydrophobicContact CD2-CE3 3.72Å; L55-W191 HydrophobicContact CD2-CZ3 4.13Å; L55-W191 HydrophobicContact CG-CE3 4.36Å; W63-W191 HydrophobicContact CH2-CH2 4.09Å; W63-W191 HydrophobicContact CH2-CZ2 4.35Å; W63-W191 AromaticContact CZ2-CH2 3.55Å; W63-W191 HydrophobicContact CZ2-CH2 3.55Å; W63-W191 HydrophobicContact CZ2-CZ2 4.25Å; W63-W191 HydrophobicContact CZ2-CZ3 4.2Å; I189-W191 HydrophobicContact CD1-CZ2 4.24Å; I189-W191 HydrophobicContact CG2-CD2 4.05Å; I189-W191 HydrophobicContact CG2-CG 4.19Å; I189-W191 HydrophobicContact CG2-CZ2 4.24Å; W191-V198 PolarHBondContact O-N 3.47Å; W191-F199 HydrophobicContact CB-CD1 3.76Å; W191-F199 HydrophobicContact CB-CE1 3.54Å; W191-F199 HydrophobicContact CB-CE2 4.33Å; W191-F199 HydrophobicContact CB-CG 4.23Å; W191-F199 HydrophobicContact CB-CZ 3.85Å; W191-F199 WeakPolarHBondContact CB-O 3.24Å; W191-F199 AromaticContact CD1-CD2 3.58Å; W191-F199 AromaticContact CD1-CE1 3.95Å; W191-F199 AromaticContact CD1-CE2 3.14Å; W191-F199 AromaticContact CD1-CZ 3.35Å; W191-F199 AromaticContact CD2-CE1 3.94Å; W191-F199 HydrophobicContact CD2-CE1 3.94Å; W191-F199 HydrophobicContact CD2-CE2 4.01Å; W191-F199 AromaticContact CD2-CZ 3.42Å; W191-F199 HydrophobicContact CD2-CZ 3.42Å; W191-F199 VanDerWaalsContact CD2-CZ 3.42Å; W191-F199 AromaticContact CE2-CE2 3.77Å; W191-F199 AromaticContact CE2-CZ 3.54Å; W191-F199 HydrophobicContact CE3-CZ 4.18Å; W191-F199 HydrophobicContact CG-CD1 4.06Å; W191-F199 HydrophobicContact CG-CD2 4.12Å; W191-F199 AromaticContact CG-CE1 3.52Å; W191-F199 HydrophobicContact CG-CE1 3.52Å; W191-F199 AromaticContact CG-CE2 3.6Å; W191-F199 HydrophobicContact CG-CE2 3.6Å; W191-F199 HydrophobicContact CG-CG 4.33Å; W191-F199 AromaticContact CG-CZ 3.26Å; W191-F199 HydrophobicContact CG-CZ 3.26Å; W191-F199 HydrophobicContact CZ2-CZ 4.3Å; W191-F199 PolarHBondContact N-O 3.35Å; W191-F199 AromaticContact NE1-CE2 3.26Å; W191-F199 VanDerWaalsContact NE1-CE2 3.26Å; W191-F199 AromaticContact NE1-CZ 3.51Å; W191-S201 PolarHBondContact NE1-OG 3.45Å; W191-V210 HydrophobicContact CZ2-CG2 3.94Å; W191-R254 VanDerWaalsContact CH2-CZ 3.5Å; W191-R254 VanDerWaalsContact CH2-NE 3.35Å
192	K	98.7	Very high	98	Very high	38 Å²	38	41.4 Å²	41.4	17%	0.165	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	147.3	-174.6	-69.1	-171.4	-179.4	-176.9	0	111.6	V52 V53 L55 E190 K196	V52-K192 HydrophobicContact CG1-CB 4.44Å; V52-K192 HydrophobicContact CG1-CD 3.88Å; V52-K192 HydrophobicContact CG1-CG 4.16Å; V53-K192 PolarHBondContact O-N 3.28Å; L55-K192 WeakPolarHBondContact CB-O 3.41Å; L55-K192 WeakPolarHBondContact CG-O 3.43Å; L55-K192 PolarHBondContact N-O 3.44Å; E190-K192 VanDerWaalsContact CD-CE 3.43Å; E190-K192 HydrophobicContact CG-CG 4.12Å; E190-K192 WeakPolarHBondContact OE2-CE 3.2Å; E190-K192 IonicContact OE2-NZ 2.76Å; E190-K192 PolarHBondContact OE2-NZ 3.42Å; K192-K196 CarbonylContact C-O 3.53Å; K192-K196 VanDerWaalsContact CA-O 3.22Å; K192-K196 WeakPolarHBondContact CA-O 3.26Å
193	Y	98.2	Very high	98	Very high	140 Å²	140	41.7 Å²	41.7	55%	0.549	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	123.8	166.2	-176.7	-86.4	0	0	0	107.4	L55 D56 E195 K196	L55-Y193 HydrophobicContact CB-CD2 4.07Å; D56-Y193 HydrophobicContact CB-CD2 4.01Å; D56-Y193 HydrophobicContact CB-CE2 3.92Å; D56-Y193 WeakPolarHBondContact OD1-CA 3.3Å; Y193-E195 VanDerWaalsContact C-N 3.34Å; Y193-E195 PolarHBondContact O-N 2.65Å; Y193-K196 PolarHBondContact N-O 2.96Å; Y193-K196 PolarHBondContact O-N 2.96Å; Y193-K196 VanDerWaalsContact O-N 3.13Å
194	N	97.3	Very high	98	Very high	109 Å²	109	41.1 Å²	41.1	58%	0.583	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.4	53.9	-174.9	-169.7	24.4	0	0	0	111.5	D56 K196	D56-N194 PolarHBondContact OD1-N 2.84Å; N194-K196 PolarHBondContact O-N 2.67Å
195	E	95.9	Very high	98.1	Very high	129 Å²	129	36.5 Å²	36.5	60%	0.603	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.4	3.5	-175.7	-62.3	-55.4	129.8	0	0	117.4	Q54 Y193	Q54-E195 VanDerWaalsContact NE2-N 3.15Å; Q54-E195 PolarHBondContact OE1-OE1 2.85Å; Y193-E195 VanDerWaalsContact C-N 3.34Å; Y193-E195 PolarHBondContact O-N 2.65Å
196	K	98.1	Very high	98	Very high	156 Å²	156	36.5 Å²	36.5	68%	0.678	17%	0.173	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-101.2	133.2	178.4	-66.1	-179.3	-176.7	-179.3	0	111.1	K192 Y193 N194 V198	K192-K196 CarbonylContact C-O 3.53Å; K192-K196 VanDerWaalsContact CA-O 3.22Å; K192-K196 WeakPolarHBondContact CA-O 3.26Å; Y193-K196 PolarHBondContact N-O 2.96Å; Y193-K196 PolarHBondContact O-N 2.96Å; Y193-K196 VanDerWaalsContact O-N 3.13Å; N194-K196 PolarHBondContact O-N 2.67Å; K196-V198 PolarHBondContact O-N 3.35Å
197	T	98.5	Very high	97.9	Very high	52 Å²	52	36.4 Å²	36.4	32%	0.319	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	118.4	175.1	-50.5	0	0	0	0	110.6	E190 K200	E190-T197 VanDerWaalsContact CD-OG1 3.23Å; E190-T197 HydrophobicContact CG-CG2 3.69Å; E190-T197 WeakPolarHBondContact OE1-CG2 3.17Å; E190-T197 PolarHBondContact OE1-OG1 3.25Å; T197-K200 HydrophobicContact CG2-CG 4.03Å
198	V	98.6	Very high	97.8	Very high	31 Å²	31	36.4 Å²	36.4	19%	0.188	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	-51.4	172.6	-176.9	0	0	0	0	109.2	L55 W191 K196	L55-V198 HydrophobicContact CD1-CG2 4.18Å; W191-V198 PolarHBondContact O-N 3.47Å; K196-V198 PolarHBondContact O-N 3.35Å
199	F	98.9	Very high	97.6	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	170	175.4	72.3	-83.3	0	0	0	110.2	W191 V210 V214 K215 R254 L257	W191-F199 HydrophobicContact CB-CD1 3.76Å; W191-F199 HydrophobicContact CB-CE1 3.54Å; W191-F199 HydrophobicContact CB-CE2 4.33Å; W191-F199 HydrophobicContact CB-CG 4.23Å; W191-F199 HydrophobicContact CB-CZ 3.85Å; W191-F199 WeakPolarHBondContact CB-O 3.24Å; W191-F199 AromaticContact CD1-CD2 3.58Å; W191-F199 AromaticContact CD1-CE1 3.95Å; W191-F199 AromaticContact CD1-CE2 3.14Å; W191-F199 AromaticContact CD1-CZ 3.35Å; W191-F199 AromaticContact CD2-CE1 3.94Å; W191-F199 HydrophobicContact CD2-CE1 3.94Å; W191-F199 HydrophobicContact CD2-CE2 4.01Å; W191-F199 AromaticContact CD2-CZ 3.42Å; W191-F199 HydrophobicContact CD2-CZ 3.42Å; W191-F199 VanDerWaalsContact CD2-CZ 3.42Å; W191-F199 AromaticContact CE2-CE2 3.77Å; W191-F199 AromaticContact CE2-CZ 3.54Å; W191-F199 HydrophobicContact CE3-CZ 4.18Å; W191-F199 HydrophobicContact CG-CD1 4.06Å; W191-F199 HydrophobicContact CG-CD2 4.12Å; W191-F199 AromaticContact CG-CE1 3.52Å; W191-F199 HydrophobicContact CG-CE1 3.52Å; W191-F199 AromaticContact CG-CE2 3.6Å; W191-F199 HydrophobicContact CG-CE2 3.6Å; W191-F199 HydrophobicContact CG-CG 4.33Å; W191-F199 AromaticContact CG-CZ 3.26Å; W191-F199 HydrophobicContact CG-CZ 3.26Å; W191-F199 HydrophobicContact CZ2-CZ 4.3Å; W191-F199 PolarHBondContact N-O 3.35Å; W191-F199 AromaticContact NE1-CE2 3.26Å; W191-F199 VanDerWaalsContact NE1-CE2 3.26Å; W191-F199 AromaticContact NE1-CZ 3.51Å; F199-V210 HydrophobicContact CE2-CG1 4.49Å; F199-V210 HydrophobicContact CE2-CG2 3.87Å; F199-V210 HydrophobicContact CZ-CG2 4.12Å; F199-V214 CarbonylContact C-O 3.57Å; F199-V214 WeakPolarHBondContact CA-O 3.33Å; F199-V214 WeakPolarHBondContact CB-O 3.25Å; F199-K215 HydrophobicContact CB-CB 4.23Å; F199-K215 HydrophobicContact CB-CG 4.49Å; F199-R254 HydrophobicContact CZ-CG 4.24Å; F199-L257 HydrophobicContact CB-CB 4.31Å; F199-L257 HydrophobicContact CB-CD2 4.43Å; F199-L257 HydrophobicContact CD1-CB 3.99Å; F199-L257 HydrophobicContact CD2-CB 3.77Å; F199-L257 HydrophobicContact CD2-CD1 3.93Å; F199-L257 HydrophobicContact CD2-CD2 4.39Å; F199-L257 HydrophobicContact CD2-CG 4.26Å; F199-L257 HydrophobicContact CE1-CB 4.22Å; F199-L257 HydrophobicContact CE2-CB 4Å; F199-L257 HydrophobicContact CE2-CD1 3.98Å; F199-L257 HydrophobicContact CG-CB 3.77Å; F199-L257 HydrophobicContact CZ-CB 4.22Å
200	K	98.9	Very high	97.5	Very high	46 Å²	46	36.6 Å²	36.6	20%	0.2	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	149.6	175.1	-61	171.8	-174.4	172.7	0	109.4	W50 I189 E190 T197 G213 V214 G380 L382	W50-K200 HydrophobicContact CH2-CB 3.9Å; W50-K200 HydrophobicContact CH2-CD 3.67Å; W50-K200 HydrophobicContact CH2-CG 4.02Å; W50-K200 HydrophobicContact CZ3-CB 3.93Å; W50-K200 HydrophobicContact CZ3-CD 3.96Å; W50-K200 HydrophobicContact CZ3-CG 3.9Å; I189-K200 CarbonylContact O-C 3.59Å; I189-K200 VanDerWaalsContact O-CA 3.28Å; I189-K200 WeakPolarHBondContact O-CA 3.3Å; E190-K200 HydrophobicContact CG-CG 4.45Å; T197-K200 HydrophobicContact CG2-CG 4.03Å; K200-G213 CarbonylContact O-C 3.46Å; K200-G213 WeakPolarHBondContact O-CA 3.48Å; K200-V214 HydrophobicContact CB-CG1 3.99Å; K200-V214 PolarHBondContact N-O 3.46Å; K200-V214 PolarHBondContact O-N 2.66Å; K200-G380 WeakPolarHBondContact CD-O 3.49Å; K200-G380 PolarHBondContact NZ-O 2.98Å; K200-L382 HydrophobicContact CB-CD2 4.12Å
201	S	98.8	Very high	97.4	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.014	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	155.9	177.3	66.9	0	0	0	0	113.1	N188 I189 W191 T212 L382	N188-S201 CarbonylContact C-O 3.58Å; N188-S201 WeakPolarHBondContact CA-O 3.31Å; I189-S201 PolarHBondContact N-O 2.98Å; I189-S201 PolarHBondContact O-N 3.22Å; W191-S201 PolarHBondContact NE1-OG 3.45Å; S201-T212 CarbonylContact C-O 3.47Å; S201-T212 WeakPolarHBondContact CA-O 3.08Å; S201-T212 WeakPolarHBondContact CB-O 3.5Å; S201-L382 VanDerWaalsContact C-CD2 3.41Å
202	A	98.5	Very high	97.4	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.008	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	139.8	164	0	0	0	0	0	109	T212 Y371 S373 L382 T384	A202-T212 HydrophobicContact CB-CG2 4.12Å; A202-T212 PolarHBondContact N-O 3.31Å; A202-Y371 HydrophobicContact CB-CE2 4.02Å; A202-S373 WeakPolarHBondContact CB-OG 3.38Å; A202-L382 HydrophobicContact CB-CD2 4.43Å; A202-T384 HydrophobicContact CB-CG2 4Å; A202-T384 WeakPolarHBondContact CB-OG1 3.23Å
203	G	96.4	Very high	97.4	Very high	6 Å²	6	32.9 Å²	32.9	6%	0.062	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.5	-151.7	-179.6	0	0	0	0	0	112.1	V186 I187	V186-G203 WeakPolarHBondContact CA-O 3.12Å; I187-G203 PolarHBondContact N-O 3.22Å; I187-G203 PolarHBondContact O-N 3.05Å
204	F	96.6	Very high	97.4	Very high	3 Å²	3	26.2 Å²	26.2	1%	0.013	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	144.8	-176.9	-56.6	-67.3	0	0	0	111.6	Y133 L161 F163 L182 M185 V186 G206 F207 V370 Y371	Y133-F204 WeakPolarHBondContact OH-CB 3.33Å; L161-F204 HydrophobicContact CD1-CE2 4.44Å; L161-F204 HydrophobicContact CD2-CE2 4Å; L161-F204 HydrophobicContact CD2-CZ 3.56Å; F163-F204 HydrophobicContact CD2-CE2 4.27Å; L182-F204 HydrophobicContact CB-CD1 4.3Å; L182-F204 HydrophobicContact CB-CE1 3.8Å; L182-F204 HydrophobicContact CB-CZ 4.22Å; L182-F204 HydrophobicContact CD1-CZ 4.35Å; L182-F204 HydrophobicContact CD2-CD1 3.95Å; L182-F204 HydrophobicContact CD2-CD2 4.24Å; L182-F204 HydrophobicContact CD2-CE1 4.05Å; L182-F204 HydrophobicContact CD2-CE2 4.33Å; L182-F204 HydrophobicContact CD2-CG 4.04Å; L182-F204 HydrophobicContact CD2-CZ 4.21Å; L182-F204 HydrophobicContact CG-CE1 4.39Å; M185-F204 HydrophobicContact CB-CD1 4.43Å; M185-F204 CarbonylContact O-C 3.51Å; M185-F204 VanDerWaalsContact O-CA 3.27Å; M185-F204 WeakPolarHBondContact O-CA 3.35Å; V186-F204 HydrophobicContact CG2-CD1 4.29Å; V186-F204 HydrophobicContact CG2-CE1 3.99Å; F204-G206 PolarHBondContact O-N 3.34Å; F204-F207 HydrophobicContact CB-CB 4.04Å; F204-F207 WeakPolarHBondContact O-CB 3.09Å; F204-F207 PolarHBondContact O-N 3.12Å; F204-V370 HydrophobicContact CE1-CG1 3.78Å; F204-V370 HydrophobicContact CZ-CG1 4.19Å; F204-Y371 HydrophobicContact CE1-CD1 4.43Å; F204-Y371 HydrophobicContact CE1-CE1 4.32Å; F204-Y371 HydrophobicContact CZ-CE1 4.11Å
205	A	97.6	Very high	97.5	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	129.4	171.9	0	0	0	0	0	110.6	I66 Y70 Y133 M185 I187 F207	I66-A205 HydrophobicContact CG2-CB 3.91Å; Y70-A205 VanDerWaalsContact CB-CB 3.49Å; Y70-A205 HydrophobicContact CD1-CB 3.73Å; Y70-A205 HydrophobicContact CD2-CB 3.61Å; Y70-A205 HydrophobicContact CE1-CB 4.36Å; Y70-A205 HydrophobicContact CE2-CB 4.26Å; Y70-A205 HydrophobicContact CG-CB 3.31Å; Y133-A205 WeakPolarHBondContact CE1-O 3.45Å; Y133-A205 PolarHBondContact OH-O 3.41Å; M185-A205 WeakPolarHBondContact CE-O 3.12Å; M185-A205 PolarHBondContact O-N 3.19Å; I187-A205 HydrophobicContact CD1-CB 4.15Å; I187-A205 HydrophobicContact CG2-CB 4.49Å; A205-F207 VanDerWaalsContact C-N 3.28Å; A205-F207 PolarHBondContact O-N 3.12Å
206	G	95.4	Very high	97.6	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.3	-2.3	-176.8	0	0	0	0	0	115.6	Y133 N134 F204	Y133-G206 VanDerWaalsContact CE1-C 3.47Å; N134-G206 PolarHBondContact ND2-O 3.05Å; N134-G206 PolarHBondContact OD1-O 3.32Å; F204-G206 PolarHBondContact O-N 3.34Å
207	F	95.6	Very high	97.6	Very high	6 Å²	6	18.8 Å²	18.8	3%	0.026	10%	0.097	C	C	.	.			trans	-95.6	115.2	171.7	-175.8	-100.3	0	0	0	110.3	W63 Y133 N134 Y137 F204 A205 G209 L211 T250	W63-F207 WeakPolarHBondContact CH2-O 3.33Å; Y133-F207 HydrophobicContact CE1-CB 4.42Å; Y133-F207 HydrophobicContact CE2-CB 4.43Å; N134-F207 WeakPolarHBondContact OD1-CA 3.44Å; Y137-F207 HydrophobicContact CG-CZ 4.33Å; F204-F207 HydrophobicContact CB-CB 4.04Å; F204-F207 WeakPolarHBondContact O-CB 3.09Å; F204-F207 PolarHBondContact O-N 3.12Å; A205-F207 VanDerWaalsContact C-N 3.28Å; A205-F207 PolarHBondContact O-N 3.12Å; F207-G209 VanDerWaalsContact CD1-O 3.31Å; F207-G209 WeakPolarHBondContact CD1-O 3.47Å; F207-G209 VanDerWaalsContact CE1-CA 3.48Å; F207-G209 VanDerWaalsContact CE1-O 3.31Å; F207-G209 WeakPolarHBondContact CE1-O 3.28Å; F207-L211 HydrophobicContact CE1-CD1 4.04Å; F207-L211 HydrophobicContact CE1-CD2 4.11Å; F207-L211 HydrophobicContact CE1-CG 3.82Å; F207-L211 HydrophobicContact CZ-CD2 4.25Å; F207-L211 HydrophobicContact CZ-CG 4.4Å; F207-T250 HydrophobicContact CZ-CG2 3.96Å
208	I	96.6	Very high	97.6	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.085	C	C	.	.			trans	-93.3	-9.8	-170.1	73.4	168.5	0	0	0	114.4	W63 Y112 E115 I116 I119 N134 R254	W63-I208 HydrophobicContact CD2-CG2 4.18Å; W63-I208 HydrophobicContact CG-CG2 4.48Å; W63-I208 HydrophobicContact CZ2-CB 3.85Å; W63-I208 HydrophobicContact CZ2-CG2 3.79Å; Y112-I208 HydrophobicContact CD1-CD1 3.91Å; Y112-I208 HydrophobicContact CG-CD1 4.32Å; Y112-I208 WeakPolarHBondContact O-CD1 3.47Å; E115-I208 HydrophobicContact CB-CD1 3.98Å; E115-I208 HydrophobicContact CB-CG2 4.3Å; I116-I208 HydrophobicContact CD1-CD1 3.87Å; I116-I208 HydrophobicContact CG1-CD1 3.77Å; I116-I208 HydrophobicContact CG1-CG1 4.4Å; I119-I208 HydrophobicContact CD1-CG2 3.4Å; N134-I208 WeakPolarHBondContact OD1-CG1 3.46Å; N134-I208 PolarHBondContact OD1-N 3.39Å; I208-R254 VanDerWaalsContact O-CD 3.25Å; I208-R254 WeakPolarHBondContact O-CD 3.29Å; I208-R254 PolarHBondContact O-NH1 2.9Å
209	G	95.1	Very high	97.6	Very high	5 Å²	5	15.3 Å²	15.3	5%	0.052	8%	0.076	C	C	.	.	S	Bend	trans	-78	172.4	170.6	0	0	0	0	0	112.1	F207	F207-G209 VanDerWaalsContact CD1-O 3.31Å; F207-G209 WeakPolarHBondContact CD1-O 3.47Å; F207-G209 VanDerWaalsContact CE1-CA 3.48Å; F207-G209 VanDerWaalsContact CE1-O 3.31Å; F207-G209 WeakPolarHBondContact CE1-O 3.28Å
210	V	96.6	Very high	97.6	Very high	3 Å²	3	15.3 Å²	15.3	2%	0.018	8%	0.077	C	C	.	.			trans	-122.6	130.9	175.5	178.1	0	0	0	0	109.4	W191 F199 I223 T250 A253 R254 L257	W191-V210 HydrophobicContact CZ2-CG2 3.94Å; F199-V210 HydrophobicContact CE2-CG1 4.49Å; F199-V210 HydrophobicContact CE2-CG2 3.87Å; F199-V210 HydrophobicContact CZ-CG2 4.12Å; V210-I223 WeakPolarHBondContact O-CD1 3.3Å; V210-T250 PolarHBondContact N-O 2.78Å; V210-A253 WeakPolarHBondContact O-CB 3.3Å; V210-R254 HydrophobicContact CB-CB 4.16Å; V210-R254 HydrophobicContact CG2-CB 3.73Å; V210-R254 HydrophobicContact CG2-CG 3.98Å; V210-L257 HydrophobicContact CB-CD1 4.3Å; V210-L257 HydrophobicContact CG1-CD1 3.5Å; V210-L257 VanDerWaalsContact CG1-CD1 3.5Å
211	L	95.9	Very high	97.6	Very high	1 Å²	1	13.2 Å²	13.2	1%	0.005	7%	0.067	C	C	.	.	S	Bend	trans	-112.5	-24.5	179.7	-56	175.7	0	0	0	112.3	Y137 L161 F207 T222 I223 T250	Y137-L211 HydrophobicContact CD1-CD2 3.7Å; Y137-L211 HydrophobicContact CD2-CD1 3.39Å; Y137-L211 HydrophobicContact CD2-CD2 3.55Å; Y137-L211 HydrophobicContact CD2-CG 4.07Å; Y137-L211 HydrophobicContact CE1-CD2 3.41Å; Y137-L211 VanDerWaalsContact CE1-CD2 3.41Å; Y137-L211 HydrophobicContact CE2-CD1 3.26Å; Y137-L211 HydrophobicContact CE2-CD2 3.28Å; Y137-L211 HydrophobicContact CE2-CG 3.81Å; Y137-L211 HydrophobicContact CG-CD1 4.34Å; Y137-L211 HydrophobicContact CG-CD2 3.79Å; L161-L211 HydrophobicContact CD1-CB 4.22Å; L161-L211 HydrophobicContact CD1-CD1 3.58Å; F207-L211 HydrophobicContact CE1-CD1 4.04Å; F207-L211 HydrophobicContact CE1-CD2 4.11Å; F207-L211 HydrophobicContact CE1-CG 3.82Å; F207-L211 HydrophobicContact CZ-CD2 4.25Å; F207-L211 HydrophobicContact CZ-CG 4.4Å; L211-T222 VanDerWaalsContact O-CA 3.31Å; L211-T222 WeakPolarHBondContact O-CA 3.5Å; L211-I223 HydrophobicContact CD2-CD1 4.36Å; L211-I223 PolarHBondContact O-N 3.18Å; L211-T250 HydrophobicContact CD2-CG2 3.37Å
212	T	98.4	Very high	97.6	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	117.8	-173.1	-58.4	0	0	0	0	106.7	R159 S201 A202 L221 T222 Y371 M375	R159-T212 WeakPolarHBondContact CD-OG1 3.4Å; R159-T212 HydrophobicContact CG-CG2 4.07Å; S201-T212 CarbonylContact C-O 3.47Å; S201-T212 WeakPolarHBondContact CA-O 3.08Å; S201-T212 WeakPolarHBondContact CB-O 3.5Å; A202-T212 HydrophobicContact CB-CG2 4.12Å; A202-T212 PolarHBondContact N-O 3.31Å; T212-L221 WeakPolarHBondContact CA-O 3.2Å; T212-T222 HydrophobicContact CG2-CG2 4.22Å; T212-Y371 PolarHBondContact OG1-OH 3.11Å; T212-M375 HydrophobicContact CG2-CE 4.05Å; T212-M375 HydrophobicContact CG2-SD 3.82Å
213	G	98.7	Very high	97.5	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	158.6	179.8	0	0	0	0	0	114	K200 S220 L221	K200-G213 CarbonylContact O-C 3.46Å; K200-G213 WeakPolarHBondContact O-CA 3.48Å; G213-S220 CarbonylContact O-C 3.46Å; G213-S220 VanDerWaalsContact O-CA 3.29Å; G213-S220 WeakPolarHBondContact O-CA 3.47Å; G213-L221 PolarHBondContact N-O 2.8Å; G213-L221 PolarHBondContact O-N 3.23Å
214	V	98.9	Very high	97.4	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	127.2	176.7	65.4	0	0	0	0	109.5	F199 K200 M375 A377 L382	F199-V214 CarbonylContact C-O 3.57Å; F199-V214 WeakPolarHBondContact CA-O 3.33Å; F199-V214 WeakPolarHBondContact CB-O 3.25Å; K200-V214 HydrophobicContact CB-CG1 3.99Å; K200-V214 PolarHBondContact N-O 3.46Å; K200-V214 PolarHBondContact O-N 2.66Å; V214-M375 HydrophobicContact CB-CB 4.5Å; V214-M375 HydrophobicContact CB-CG 4.28Å; V214-A377 HydrophobicContact CG2-CB 4.21Å; V214-L382 HydrophobicContact CG1-CB 3.71Å
215	K	98.8	Very high	97.1	Very high	26 Å²	26	13.2 Å²	13.2	11%	0.113	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	111.9	167.8	-173.1	169	-158.8	149.3	0	108.3	F199 K217 A218 F219 L257 T258 A260	F199-K215 HydrophobicContact CB-CB 4.23Å; F199-K215 HydrophobicContact CB-CG 4.49Å; K215-K217 PolarHBondContact O-N 2.87Å; K215-A218 HydrophobicContact CB-CB 4.15Å; K215-A218 HydrophobicContact CD-CB 3.99Å; K215-A218 HydrophobicContact CG-CB 3.89Å; K215-A218 PolarHBondContact O-N 3.05Å; K215-A218 VanDerWaalsContact O-N 3.12Å; K215-F219 HydrophobicContact CB-CD1 4.44Å; K215-F219 HydrophobicContact CB-CE1 4.28Å; K215-F219 HydrophobicContact CB-CZ 4.49Å; K215-F219 HydrophobicContact CD-CE1 3.96Å; K215-F219 HydrophobicContact CD-CZ 4.45Å; K215-F219 PolarHBondContact N-O 3.21Å; K215-F219 PolarHBondContact O-N 3.01Å; K215-L257 HydrophobicContact CB-CD2 4.11Å; K215-L257 WeakPolarHBondContact CD-O 3.2Å; K215-L257 WeakPolarHBondContact CE-O 3.12Å; K215-L257 PolarHBondContact NZ-O 2.87Å; K215-T258 PolarHBondContact NZ-O 2.8Å; K215-A260 VanDerWaalsContact CD-O 3.25Å; K215-A260 WeakPolarHBondContact CD-O 3.34Å; K215-A260 VanDerWaalsContact CE-O 3.29Å; K215-A260 WeakPolarHBondContact CE-O 3.14Å; K215-A260 PolarHBondContact NZ-O 2.77Å
216	P	98.6	Very high	96.8	Very high	41 Å²	41	13.8 Å²	13.8	27%	0.266	7%	0.068	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	133.8	-178.4	-25.9	33.3	0	0	0	112	A218	P216-A218 PolarHBondContact O-N 3.37Å
217	K	98.3	Very high	96.2	Very high	172 Å²	172	19.5 Å²	19.5	75%	0.748	9%	0.093	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.9	20.7	179.1	-53.5	178.3	178	-175.3	0	114.7	K215 A377 A378	K215-K217 PolarHBondContact O-N 2.87Å; K217-A377 WeakPolarHBondContact CA-O 3.32Å; K217-A377 PolarHBondContact N-O 3.15Å; K217-A378 WeakPolarHBondContact CG-O 3.39Å
218	A	98.6	Very high	95.2	Very high	9 Å²	9	22 Å²	22	7%	0.074	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-133.8	-71.7	178.2	0	0	0	0	0	112.8	K215 P216 C286	K215-A218 HydrophobicContact CB-CB 4.15Å; K215-A218 HydrophobicContact CD-CB 3.99Å; K215-A218 HydrophobicContact CG-CB 3.89Å; K215-A218 PolarHBondContact O-N 3.05Å; K215-A218 VanDerWaalsContact O-N 3.12Å; P216-A218 PolarHBondContact O-N 3.37Å; A218-C286 PolarHBondContact N-SG 3.01Å; A218-C286 VanDerWaalsContact N-SG 3.43Å
219	F	98.9	Very high	93.7	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.5	160.8	-177.9	63.5	-85.6	0	0	0	112.7	K215 L221 V256 L257 A260 S262 A266 V283 S284	K215-F219 HydrophobicContact CB-CD1 4.44Å; K215-F219 HydrophobicContact CB-CE1 4.28Å; K215-F219 HydrophobicContact CB-CZ 4.49Å; K215-F219 HydrophobicContact CD-CE1 3.96Å; K215-F219 HydrophobicContact CD-CZ 4.45Å; K215-F219 PolarHBondContact N-O 3.21Å; K215-F219 PolarHBondContact O-N 3.01Å; F219-L221 HydrophobicContact CD2-CB 4.34Å; F219-L221 HydrophobicContact CE2-CB 4.25Å; F219-V256 HydrophobicContact CE2-CG1 3.98Å; F219-V256 HydrophobicContact CZ-CG1 3.74Å; F219-L257 HydrophobicContact CD2-CD2 4.3Å; F219-L257 HydrophobicContact CE2-CD2 3.6Å; F219-L257 HydrophobicContact CE2-CG 4.13Å; F219-L257 HydrophobicContact CZ-CD2 4.06Å; F219-L257 HydrophobicContact CZ-CG 4.47Å; F219-A260 HydrophobicContact CE1-CB 3.92Å; F219-A260 HydrophobicContact CZ-CB 4.13Å; F219-S262 WeakPolarHBondContact CD1-O 2.93Å; F219-A266 HydrophobicContact CD1-CB 3.86Å; F219-A266 HydrophobicContact CD2-CB 3.92Å; F219-A266 HydrophobicContact CE1-CB 3.71Å; F219-A266 HydrophobicContact CE2-CB 3.76Å; F219-A266 HydrophobicContact CG-CB 3.98Å; F219-A266 HydrophobicContact CZ-CB 3.66Å; F219-V283 HydrophobicContact CB-CG1 4.14Å; F219-V283 HydrophobicContact CD2-CG1 4.2Å; F219-V283 HydrophobicContact CG-CG1 4.47Å; F219-S284 CarbonylContact C-O 3.56Å; F219-S284 WeakPolarHBondContact CA-O 3.04Å; F219-S284 WeakPolarHBondContact CB-O 3.23Å
220	S	98.9	Very high	92.3	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.007	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	156.5	161.4	83.6	0	0	0	0	110.8	A157 G213 V283 S284	A157-S220 VanDerWaalsContact CB-OG 3.22Å; A157-S220 WeakPolarHBondContact CB-OG 3.34Å; G213-S220 CarbonylContact O-C 3.46Å; G213-S220 VanDerWaalsContact O-CA 3.29Å; G213-S220 WeakPolarHBondContact O-CA 3.47Å; S220-V283 VanDerWaalsContact O-CA 3.29Å; S220-V283 WeakPolarHBondContact O-CA 3.26Å; S220-V283 WeakPolarHBondContact O-CG1 3.24Å; S220-S284 PolarHBondContact N-O 2.98Å; S220-S284 PolarHBondContact O-N 2.87Å; S220-S284 VanDerWaalsContact O-N 3.11Å; S220-S284 PolarHBondContact OG-OG 2.84Å
221	L	98.9	Very high	91	Very high	2 Å²	2	33.8 Å²	33.8	1%	0.01	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	131.3	-177.9	174.1	61.2	0	0	0	110.1	T212 G213 F219 A253 L257 L270 F281 I282 V283	T212-L221 WeakPolarHBondContact CA-O 3.2Å; G213-L221 PolarHBondContact N-O 2.8Å; G213-L221 PolarHBondContact O-N 3.23Å; F219-L221 HydrophobicContact CD2-CB 4.34Å; F219-L221 HydrophobicContact CE2-CB 4.25Å; L221-A253 HydrophobicContact CD2-CB 3.65Å; L221-L257 HydrophobicContact CB-CD2 4.39Å; L221-L257 HydrophobicContact CB-CG 4.5Å; L221-L257 HydrophobicContact CD2-CD1 4.39Å; L221-L257 HydrophobicContact CD2-CG 4.35Å; L221-L270 HydrophobicContact CD1-CD1 3.68Å; L221-L270 HydrophobicContact CD2-CD1 4.24Å; L221-L270 HydrophobicContact CD2-CD2 4.33Å; L221-F281 HydrophobicContact CD1-CB 4.08Å; L221-F281 HydrophobicContact CD1-CD1 3.99Å; L221-F281 HydrophobicContact CD1-CG 4.4Å; L221-I282 CarbonylContact C-O 3.52Å; L221-I282 WeakPolarHBondContact CA-O 2.93Å; L221-V283 HydrophobicContact CD1-CG2 3.94Å
222	T	98.6	Very high	89.6	Confident	3 Å²	3	34.1 Å²	34.1	2%	0.018	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	157.1	166.6	68.5	0	0	0	0	111.7	S145 R159 L211 T212 I282 M375	S145-T222 WeakPolarHBondContact CB-OG1 3.46Å; S145-T222 PolarHBondContact OG-OG1 3.35Å; R159-T222 HydrophobicContact CB-CG2 4.18Å; R159-T222 HydrophobicContact CG-CG2 3.9Å; L211-T222 VanDerWaalsContact O-CA 3.31Å; L211-T222 WeakPolarHBondContact O-CA 3.5Å; T212-T222 HydrophobicContact CG2-CG2 4.22Å; T222-I282 PolarHBondContact N-O 3.39Å; T222-I282 PolarHBondContact O-N 2.89Å; T222-I282 WeakPolarHBondContact OG1-CB 3.17Å; T222-M375 HydrophobicContact CG2-CE 3.49Å; T222-M375 VanDerWaalsContact CG2-CE 3.49Å; T222-M375 HydrophobicContact CG2-SD 4.45Å
223	I	96	Very high	88.3	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	121.1	-174.9	-59.9	-178.4	0	0	0	109.6	Y137 R159 V210 L211 V249 T250 A253 V279 F281	Y137-I223 HydrophobicContact CE1-CG2 4.11Å; Y137-I223 PolarHBondContact OH-O 2.84Å; Y137-I223 VanDerWaalsContact OH-O 3.14Å; R159-I223 PolarHBondContact NH2-O 2.97Å; V210-I223 WeakPolarHBondContact O-CD1 3.3Å; L211-I223 HydrophobicContact CD2-CD1 4.36Å; L211-I223 PolarHBondContact O-N 3.18Å; I223-V249 HydrophobicContact CD1-CG1 4.09Å; I223-V249 HydrophobicContact CG2-CG1 3.86Å; I223-T250 HydrophobicContact CD1-CG2 4.49Å; I223-A253 HydrophobicContact CD1-CB 3.45Å; I223-A253 VanDerWaalsContact CD1-CB 3.45Å; I223-A253 HydrophobicContact CG1-CB 4.3Å; I223-V279 HydrophobicContact CG2-CG2 3.46Å; I223-V279 VanDerWaalsContact CG2-CG2 3.46Å; I223-F281 HydrophobicContact CD1-CE1 4.22Å; I223-F281 HydrophobicContact CG1-CD1 4.05Å; I223-F281 HydrophobicContact CG1-CE1 4.03Å
224	N	94.8	Very high	87	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	136.1	167.6	-61.8	9.9	0	0	0	109.8	C143 S145 R159 V279 Y280 I282 Q319 T320	C143-N224 HydrophobicContact CB-CB 3.9Å; C143-N224 WeakPolarHBondContact CB-OD1 3.09Å; S145-N224 PolarHBondContact OG-OD1 2.78Å; R159-N224 PolarHBondContact NH2-OD1 3.41Å; N224-V279 WeakPolarHBondContact O-CG2 3.35Å; N224-Y280 HydrophobicContact CB-CD2 4.06Å; N224-Y280 PolarHBondContact N-O 2.99Å; N224-Y280 PolarHBondContact O-N 3.35Å; N224-I282 HydrophobicContact CB-CD1 4.2Å; N224-Q319 PolarHBondContact ND2-O 3.46Å; N224-T320 VanDerWaalsContact CB-O 3.29Å; N224-T320 WeakPolarHBondContact CB-O 3.47Å; N224-T320 PolarHBondContact ND2-O 2.88Å
225	E	90.1	Very high	85.9	Confident	8 Å²	8	42.3 Å²	42.3	4%	0.037	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	140.3	173.9	-170.8	54.7	-137.5	0	0	111.3	T141 F227 Y280 N321	T141-E225 WeakPolarHBondContact O-CB 3.42Å; E225-F227 HydrophobicContact CB-CZ 4.36Å; E225-F227 HydrophobicContact CG-CD1 4.31Å; E225-F227 HydrophobicContact CG-CE1 3.74Å; E225-F227 HydrophobicContact CG-CE2 4.25Å; E225-F227 HydrophobicContact CG-CZ 3.7Å; E225-Y280 WeakPolarHBondContact O-CE2 3.04Å; E225-N321 PolarHBondContact N-ND2 3.45Å; E225-N321 PolarHBondContact O-ND2 3.03Å
226	R	91.2	Very high	84.8	Confident	12 Å²	12	42.7 Å²	42.7	5%	0.045	22%	0.22	C	C	.	.			trans	-123.3	114.6	174.5	177	172	-177.5	-76.5	-8.9	109.6	D228 P278 Y280 D323	R226-D228 IonicContact CZ-OD2 2.67Å; R226-D228 IonicContact NH1-OD2 3.56Å; R226-D228 PolarHBondContact NH1-OD2 3.01Å; R226-D228 IonicContact NH2-OD2 3.43Å; R226-P278 HydrophobicContact CB-CB 4.05Å; R226-P278 HydrophobicContact CG-CB 4.03Å; R226-P278 WeakPolarHBondContact O-CB 3.38Å; R226-Y280 HydrophobicContact CB-CD2 3.83Å; R226-Y280 HydrophobicContact CB-CE2 3.41Å; R226-Y280 VanDerWaalsContact CB-CE2 3.41Å; R226-Y280 HydrophobicContact CG-CE1 4.27Å; R226-Y280 HydrophobicContact CG-CE2 3.73Å; R226-Y280 WeakPolarHBondContact CG-OH 3.39Å; R226-D323 IonicContact CZ-OD1 2.77Å; R226-D323 IonicContact CZ-OD2 3.54Å; R226-D323 IonicContact NE-OD1 2.74Å; R226-D323 PolarHBondContact NE-OD1 3.03Å; R226-D323 IonicContact NE-OD2 3.56Å; R226-D323 IonicContact NH2-OD1 3.81Å; R226-D323 IonicContact NH2-OD2 3.59Å; R226-D323 PolarHBondContact NH2-OD2 2.88Å
227	F	82.3	Confident	83.6	Confident	121 Å²	121	44.4 Å²	44.4	53%	0.531	23%	0.227	S	C	.	.			trans	-80.5	127.4	176.6	-54.7	-74.4	0	0	0	110.8	E225 N321	E225-F227 HydrophobicContact CB-CZ 4.36Å; E225-F227 HydrophobicContact CG-CD1 4.31Å; E225-F227 HydrophobicContact CG-CE1 3.74Å; E225-F227 HydrophobicContact CG-CE2 4.25Å; E225-F227 HydrophobicContact CG-CZ 3.7Å; F227-N321 HydrophobicContact CE2-CB 4.15Å
228	D	74.5	Confident	82.6	Confident	58 Å²	58	39 Å²	39	31%	0.31	20%	0.203	S	C	.	.			trans	-144.4	160.6	177.7	-157.9	-16.2	0	0	0	109.4	R226 N230 S231 P278	R226-D228 IonicContact CZ-OD2 2.67Å; R226-D228 IonicContact NH1-OD2 3.56Å; R226-D228 PolarHBondContact NH1-OD2 3.01Å; R226-D228 IonicContact NH2-OD2 3.43Å; D228-N230 PolarHBondContact O-N 2.94Å; D228-S231 PolarHBondContact O-N 2.95Å; D228-P278 HydrophobicContact CB-CB 4.3Å; D228-P278 HydrophobicContact CB-CG 3.73Å
229	T	65.3	Low	81.6	Confident	129 Å²	129	40.2 Å²	40.2	79%	0.791	21%	0.206	S	C	*	.	S	Bend	trans	-61.9	-32	175.7	55.6	0	0	0	0	111.7	S231	T229-S231 PolarHBondContact O-N 3.35Å; T229-S231 VanDerWaalsContact O-N 3.12Å
230	N	66.2	Low	80.5	Confident	77 Å²	77	41.9 Å²	41.9	41%	0.412	22%	0.215	S	C	.	.	S	Bend	trans	-85.9	65.5	169.5	-69.9	5.7	0	0	0	110.3	D228 E234 P278 R298	D228-N230 PolarHBondContact O-N 2.94Å; N230-E234 VanDerWaalsContact CA-OE2 3.3Å; N230-E234 WeakPolarHBondContact CA-OE2 3.14Å; N230-E234 VanDerWaalsContact CB-OE2 3.28Å; N230-E234 WeakPolarHBondContact CB-OE2 3.35Å; N230-E234 VanDerWaalsContact CG-OE2 3.27Å; N230-E234 PolarHBondContact OD1-OE2 2.92Å; N230-P278 WeakPolarHBondContact O-CG 3.37Å; N230-R298 WeakPolarHBondContact O-CD 3.41Å
231	S	68.9	Low	79.5	Confident	49 Å²	49	47.5 Å²	47.5	34%	0.343	24%	0.244	S	C	.	.			trans	-68.4	170.4	-171.2	71.2	0	0	0	0	113.6	D228 T229 F233 E234 G235	D228-S231 PolarHBondContact O-N 2.95Å; T229-S231 PolarHBondContact O-N 3.35Å; T229-S231 VanDerWaalsContact O-N 3.12Å; S231-F233 PolarHBondContact O-N 2.84Å; S231-F233 VanDerWaalsContact O-N 3.12Å; S231-F233 PolarHBondContact OG-N 3.41Å; S231-E234 WeakPolarHBondContact O-CB 3.5Å; S231-E234 PolarHBondContact O-N 2.9Å; S231-G235 PolarHBondContact O-N 2.84Å
232	G	67.9	Low	78.4	Confident	9 Å²	9	53.7 Å²	53.7	9%	0.093	28%	0.278	C	S	.	.	H	α-helix	trans	-55.3	-25.9	172.7	0	0	0	0	0	113.8	G235 L236	G232-G235 PolarHBondContact O-N 2.93Å; G232-L236 WeakPolarHBondContact O-CB 3.42Å; G232-L236 PolarHBondContact O-N 3.43Å
233	F	70.4	Confident	77	Confident	121 Å²	121	59.4 Å²	59.4	53%	0.531	31%	0.307	S	S	.	.	H	α-helix	trans	-65.4	-41.1	175.3	-176.3	-103.1	0	0	0	112.6	S231 G235 L236 L237	S231-F233 PolarHBondContact O-N 2.84Å; S231-F233 VanDerWaalsContact O-N 3.12Å; S231-F233 PolarHBondContact OG-N 3.41Å; F233-G235 VanDerWaalsContact C-N 3.31Å; F233-G235 PolarHBondContact O-N 3.36Å; F233-L236 WeakPolarHBondContact O-CB 3.47Å; F233-L236 PolarHBondContact O-N 3.5Å; F233-L237 HydrophobicContact CD1-CD1 3.91Å; F233-L237 HydrophobicContact CD1-CG 4.37Å; F233-L237 HydrophobicContact CE1-CD1 3.36Å; F233-L237 HydrophobicContact CE1-CG 3.98Å; F233-L237 HydrophobicContact CZ-CD1 3.84Å; F233-L237 HydrophobicContact CZ-CD2 4.26Å; F233-L237 HydrophobicContact CZ-CG 4.09Å; F233-L237 WeakPolarHBondContact O-CG 3.2Å; F233-L237 PolarHBondContact O-N 3.19Å
234	E	72.2	Confident	75.8	Confident	51 Å²	51	60.4 Å²	60.4	24%	0.238	31%	0.312	C	S	.	.	H	α-helix	trans	-63.9	-41.2	175.3	-166.8	-155	143.6	0	0	110.7	N230 S231 L237 K238 R298	N230-E234 VanDerWaalsContact CA-OE2 3.3Å; N230-E234 WeakPolarHBondContact CA-OE2 3.14Å; N230-E234 VanDerWaalsContact CB-OE2 3.28Å; N230-E234 WeakPolarHBondContact CB-OE2 3.35Å; N230-E234 VanDerWaalsContact CG-OE2 3.27Å; N230-E234 PolarHBondContact OD1-OE2 2.92Å; S231-E234 WeakPolarHBondContact O-CB 3.5Å; S231-E234 PolarHBondContact O-N 2.9Å; E234-L237 PolarHBondContact O-N 2.86Å; E234-K238 WeakPolarHBondContact O-CB 3.38Å; E234-K238 WeakPolarHBondContact O-CG 3.26Å; E234-K238 PolarHBondContact O-N 3.25Å; E234-K238 WeakPolarHBondContact OE1-CE 3.34Å; E234-K238 IonicContact OE1-NZ 3.54Å; E234-K238 PolarHBondContact OE1-NZ 3.34Å; E234-R298 VanDerWaalsContact CD-NH1 3.32Å; E234-R298 IonicContact OE1-NH1 2.69Å; E234-R298 PolarHBondContact OE1-NH1 3.43Å; E234-R298 IonicContact OE2-NH1 3.85Å
235	G	74.7	Confident	75	Confident	0 Å²	0	69.8 Å²	69.8	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-60.3	-45.2	173.4	0	0	0	0	0	112.8	S231 G232 F233 L237 K238 W239 M276	S231-G235 PolarHBondContact O-N 2.84Å; G232-G235 PolarHBondContact O-N 2.93Å; F233-G235 VanDerWaalsContact C-N 3.31Å; F233-G235 PolarHBondContact O-N 3.36Å; G235-L237 PolarHBondContact O-N 3.11Å; G235-K238 PolarHBondContact O-N 3.14Å; G235-W239 WeakPolarHBondContact O-CB 3.39Å; G235-W239 PolarHBondContact O-N 3.44Å; G235-M276 WeakPolarHBondContact CA-O 3.13Å; G235-M276 VanDerWaalsContact O-CE 3.23Å; G235-M276 WeakPolarHBondContact O-CE 3.4Å
236	L	75.3	Confident	74.7	Confident	33 Å²	33	69.9 Å²	69.9	17%	0.173	35%	0.354	C	S	.	.	H	α-helix	trans	-57.1	-49.6	176	-178.5	60.7	0	0	0	111.3	W104 G232 F233 W239 L240 W248 M276	W104-L236 HydrophobicContact CZ3-CD1 3.99Å; W104-L236 HydrophobicContact CZ3-CD2 4.47Å; G232-L236 WeakPolarHBondContact O-CB 3.42Å; G232-L236 PolarHBondContact O-N 3.43Å; F233-L236 WeakPolarHBondContact O-CB 3.47Å; F233-L236 PolarHBondContact O-N 3.5Å; L236-W239 PolarHBondContact O-N 3.01Å; L236-L240 HydrophobicContact CD1-CD1 4.11Å; L236-L240 HydrophobicContact CD1-CG 4.25Å; L236-L240 HydrophobicContact CG-CD1 3.92Å; L236-L240 HydrophobicContact CG-CG 4.49Å; L236-L240 WeakPolarHBondContact O-CB 3.48Å; L236-L240 WeakPolarHBondContact O-CG 3.47Å; L236-L240 PolarHBondContact O-N 3.09Å; L236-W248 HydrophobicContact CD1-CH2 3.83Å; L236-W248 HydrophobicContact CD1-CZ2 4.28Å; L236-M276 HydrophobicContact CB-CE 4.44Å
237	L	73.9	Confident	74.6	Confident	77 Å²	77	72.7 Å²	72.7	40%	0.403	37%	0.367	S	S	.	.	H	α-helix	trans	-60.9	-46.9	177.8	-71.8	179.3	0	0	0	112.2	F233 E234 G235 W239 L240 L241	F233-L237 HydrophobicContact CD1-CD1 3.91Å; F233-L237 HydrophobicContact CD1-CG 4.37Å; F233-L237 HydrophobicContact CE1-CD1 3.36Å; F233-L237 HydrophobicContact CE1-CG 3.98Å; F233-L237 HydrophobicContact CZ-CD1 3.84Å; F233-L237 HydrophobicContact CZ-CD2 4.26Å; F233-L237 HydrophobicContact CZ-CG 4.09Å; F233-L237 WeakPolarHBondContact O-CG 3.2Å; F233-L237 PolarHBondContact O-N 3.19Å; E234-L237 PolarHBondContact O-N 2.86Å; G235-L237 PolarHBondContact O-N 3.11Å; L237-W239 VanDerWaalsContact C-N 3.31Å; L237-W239 PolarHBondContact O-N 3.31Å; L237-L240 PolarHBondContact O-N 3.22Å; L237-L241 WeakPolarHBondContact O-CB 3.34Å; L237-L241 VanDerWaalsContact O-CG 3.29Å; L237-L241 WeakPolarHBondContact O-CG 3.31Å; L237-L241 PolarHBondContact O-N 2.85Å
238	K	78.2	Confident	75	Confident	58 Å²	58	67.5 Å²	67.5	25%	0.252	34%	0.344	S	S	.	.	H	α-helix	trans	-61	-40.2	178.4	-79.9	177.2	168.4	174.3	0	112.3	E234 G235 N242 L243 E244	E234-K238 WeakPolarHBondContact O-CB 3.38Å; E234-K238 WeakPolarHBondContact O-CG 3.26Å; E234-K238 PolarHBondContact O-N 3.25Å; E234-K238 WeakPolarHBondContact OE1-CE 3.34Å; E234-K238 IonicContact OE1-NZ 3.54Å; E234-K238 PolarHBondContact OE1-NZ 3.34Å; G235-K238 PolarHBondContact O-N 3.14Å; K238-N242 PolarHBondContact O-N 2.99Å; K238-L243 HydrophobicContact CB-CB 4.43Å; K238-L243 WeakPolarHBondContact O-CB 3.47Å; K238-L243 PolarHBondContact O-N 2.64Å; K238-E244 HydrophobicContact CB-CB 4.4Å
239	W	76.7	Confident	75.8	Confident	35 Å²	35	64.9 Å²	64.9	13%	0.133	33%	0.33	C	S	.	.	H	α-helix	trans	-66.5	-45.1	176.6	-178.4	84.6	0	0	0	112.2	K107 L108 G235 L236 L237 L241 N242 W248 M276	K107-W239 HydrophobicContact CB-CH2 3.84Å; K107-W239 HydrophobicContact CB-CZ2 4.41Å; L108-W239 HydrophobicContact CD2-CH2 3.77Å; L108-W239 HydrophobicContact CD2-CZ2 4.15Å; G235-W239 WeakPolarHBondContact O-CB 3.39Å; G235-W239 PolarHBondContact O-N 3.44Å; L236-W239 PolarHBondContact O-N 3.01Å; L237-W239 VanDerWaalsContact C-N 3.31Å; L237-W239 PolarHBondContact O-N 3.31Å; W239-L241 VanDerWaalsContact C-N 3.26Å; W239-L241 PolarHBondContact O-N 3.33Å; W239-N242 WeakPolarHBondContact O-CA 3.48Å; W239-N242 PolarHBondContact O-N 2.84Å; W239-W248 HydrophobicContact CD2-CZ2 4.47Å; W239-W248 AromaticContact CE2-NE1 3.94Å; W239-W248 HydrophobicContact CE3-CZ2 4.31Å; W239-W248 HydrophobicContact CZ3-CZ2 4.47Å; W239-M276 HydrophobicContact CB-CE 3.46Å; W239-M276 VanDerWaalsContact CB-CE 3.46Å; W239-M276 HydrophobicContact CB-SD 3.61Å; W239-M276 HydrophobicContact CG-CE 3.89Å; W239-M276 HydrophobicContact CG-SD 3.86Å
240	L	74.9	Confident	77.2	Confident	36 Å²	36	58.8 Å²	58.8	19%	0.188	29%	0.292	C	S	.	.	H	α-helix	trans	-61	-36.7	179	-73.6	168	0	0	0	113.2	W104 L236 L237 N242	W104-L240 HydrophobicContact CD2-CD2 3.42Å; W104-L240 VanDerWaalsContact CD2-CD2 3.42Å; W104-L240 HydrophobicContact CE3-CD2 3.55Å; W104-L240 HydrophobicContact CG-CD2 4.18Å; W104-L240 HydrophobicContact CH2-CD1 3.15Å; W104-L240 HydrophobicContact CH2-CD2 3.56Å; W104-L240 HydrophobicContact CH2-CG 3.93Å; W104-L240 HydrophobicContact CZ2-CD1 3.49Å; W104-L240 VanDerWaalsContact CZ2-CD1 3.49Å; W104-L240 HydrophobicContact CZ2-CD2 3.39Å; W104-L240 HydrophobicContact CZ2-CG 4.06Å; W104-L240 HydrophobicContact CZ3-CD1 3.73Å; W104-L240 HydrophobicContact CZ3-CD2 3.62Å; W104-L240 HydrophobicContact CZ3-CG 4.15Å; L236-L240 HydrophobicContact CD1-CD1 4.11Å; L236-L240 HydrophobicContact CD1-CG 4.25Å; L236-L240 HydrophobicContact CG-CD1 3.92Å; L236-L240 HydrophobicContact CG-CG 4.49Å; L236-L240 WeakPolarHBondContact O-CB 3.48Å; L236-L240 WeakPolarHBondContact O-CG 3.47Å; L236-L240 PolarHBondContact O-N 3.09Å; L237-L240 PolarHBondContact O-N 3.22Å; L240-N242 PolarHBondContact O-N 3.41Å
241	L	77.7	Confident	78.5	Confident	118 Å²	118	55.3 Å²	55.3	62%	0.618	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	4	176.8	-63.2	174.7	0	0	0	112.6	L237 W239 L243	L237-L241 WeakPolarHBondContact O-CB 3.34Å; L237-L241 VanDerWaalsContact O-CG 3.29Å; L237-L241 WeakPolarHBondContact O-CG 3.31Å; L237-L241 PolarHBondContact O-N 2.85Å; W239-L241 VanDerWaalsContact C-N 3.26Å; W239-L241 PolarHBondContact O-N 3.33Å; L241-L243 HydrophobicContact CB-CD1 3.75Å; L241-L243 HydrophobicContact CB-CD2 4.46Å; L241-L243 HydrophobicContact CB-CG 3.64Å; L241-L243 HydrophobicContact CD1-CD1 3.94Å; L241-L243 PolarHBondContact O-N 2.87Å
242	N	75.9	Confident	79.8	Confident	133 Å²	133	53.3 Å²	53.3	71%	0.711	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.3	32.2	-177.1	-165.5	40	0	0	0	113.1	K238 W239 L240	K238-N242 PolarHBondContact O-N 2.99Å; W239-N242 WeakPolarHBondContact O-CA 3.48Å; W239-N242 PolarHBondContact O-N 2.84Å; L240-N242 PolarHBondContact O-N 3.41Å
243	L	70.2	Confident	81.2	Confident	123 Å²	123	52.9 Å²	52.9	64%	0.644	25%	0.254	S	S	*	.			trans	-83.3	-21.2	-179.8	-60	175.7	0	0	0	111.8	K238 L241	K238-L243 HydrophobicContact CB-CB 4.43Å; K238-L243 WeakPolarHBondContact O-CB 3.47Å; K238-L243 PolarHBondContact O-N 2.64Å; L241-L243 HydrophobicContact CB-CD1 3.75Å; L241-L243 HydrophobicContact CB-CD2 4.46Å; L241-L243 HydrophobicContact CB-CG 3.64Å; L241-L243 HydrophobicContact CD1-CD1 3.94Å; L241-L243 PolarHBondContact O-N 2.87Å
244	E	70.1	Confident	82.5	Confident	21 Å²	21	47.5 Å²	47.5	10%	0.098	23%	0.23	C	C	.	.			trans	-146.8	135.4	-176.7	-157.6	-174.7	149.8	0	0	111.8	K238 S246 R274 R298	K238-E244 HydrophobicContact CB-CB 4.4Å; E244-S246 VanDerWaalsContact C-N 3.3Å; E244-S246 VanDerWaalsContact CG-OG 3.26Å; E244-S246 WeakPolarHBondContact CG-OG 3.19Å; E244-S246 PolarHBondContact O-N 3.34Å; E244-S246 PolarHBondContact OE1-OG 2.91Å; E244-R274 WeakPolarHBondContact OE1-CD 3.49Å; E244-R298 IonicContact OE2-CZ 3.81Å; E244-R298 IonicContact OE2-NH2 3.28Å; E244-R298 PolarHBondContact OE2-NH2 2.81Å
245	K	78.2	Confident	83.7	Confident	197 Å²	197	46.8 Å²	46.8	86%	0.857	23%	0.227	S	C	*	.			trans	-88	66	171.1	-66	-171.5	180	-177.1	0	110.5
246	S	84.7	Confident	84.8	Confident	9 Å²	9	47 Å²	47	6%	0.063	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-87.5	150.3	176.2	-42.5	0	0	0	0	111	E244	E244-S246 VanDerWaalsContact C-N 3.3Å; E244-S246 VanDerWaalsContact CG-OG 3.26Å; E244-S246 WeakPolarHBondContact CG-OG 3.19Å; E244-S246 PolarHBondContact O-N 3.34Å; E244-S246 PolarHBondContact OE1-OG 2.91Å
247	K	89	Confident	85.9	Confident	71 Å²	71	45.5 Å²	45.5	31%	0.309	22%	0.221	S	C	.	.	B	Isolated β-bridge	trans	-93.6	141.6	171.6	-68.5	-161.4	-174.1	-179.8	0	111.5	M252 E255 V273 R274 L275 M276	K247-M252 HydrophobicContact CB-CB 4.16Å; K247-M252 HydrophobicContact CD-CB 4.32Å; K247-M252 HydrophobicContact CD-CG 4.46Å; K247-M252 HydrophobicContact CD-SD 3.65Å; K247-E255 IonicContact NZ-OE1 3.65Å; K247-E255 IonicContact NZ-OE2 3.67Å; K247-E255 PolarHBondContact NZ-OE2 2.96Å; K247-V273 HydrophobicContact CB-CG1 4.25Å; K247-V273 HydrophobicContact CD-CG1 3.94Å; K247-V273 HydrophobicContact CG-CG1 4.01Å; K247-R274 PolarHBondContact N-O 2.83Å; K247-L275 CarbonylContact O-C 3.32Å; K247-L275 WeakPolarHBondContact O-CA 3.14Å; K247-M276 WeakPolarHBondContact O-CG 3.48Å; K247-M276 PolarHBondContact O-N 3.13Å
248	W	89.5	Confident	87.1	Confident	13 Å²	13	44.1 Å²	44.1	5%	0.049	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-62.4	135.4	167.3	-65.9	80.5	0	0	0	109.7	I135 E138 L236 W239 T250 W251 M252 M276	I135-W248 HydrophobicContact CB-CE3 4.35Å; I135-W248 HydrophobicContact CB-CH2 3.58Å; I135-W248 HydrophobicContact CB-CZ3 3.4Å; I135-W248 VanDerWaalsContact CB-CZ3 3.4Å; I135-W248 HydrophobicContact CD1-CH2 4.41Å; I135-W248 HydrophobicContact CG2-CE3 4.13Å; I135-W248 HydrophobicContact CG2-CH2 3.31Å; I135-W248 HydrophobicContact CG2-CZ2 3.99Å; I135-W248 HydrophobicContact CG2-CZ3 3.42Å; I135-W248 VanDerWaalsContact CG2-CZ3 3.42Å; E138-W248 HydrophobicContact CG-CE3 4Å; E138-W248 HydrophobicContact CG-CZ3 4.11Å; L236-W248 HydrophobicContact CD1-CH2 3.83Å; L236-W248 HydrophobicContact CD1-CZ2 4.28Å; W239-W248 HydrophobicContact CD2-CZ2 4.47Å; W239-W248 AromaticContact CE2-NE1 3.94Å; W239-W248 HydrophobicContact CE3-CZ2 4.31Å; W239-W248 HydrophobicContact CZ3-CZ2 4.47Å; W248-T250 PolarHBondContact O-N 3.24Å; W248-W251 HydrophobicContact CB-CB 4.1Å; W248-W251 HydrophobicContact CB-CD2 3.71Å; W248-W251 HydrophobicContact CB-CE3 3.53Å; W248-W251 HydrophobicContact CB-CG 4.01Å; W248-W251 HydrophobicContact CB-CZ3 4.1Å; W248-W251 AromaticContact CD1-CE3 3.38Å; W248-W251 AromaticContact CD1-CZ3 3.2Å; W248-W251 HydrophobicContact CD2-CE3 4.35Å; W248-W251 HydrophobicContact CD2-CH2 4.19Å; W248-W251 HydrophobicContact CD2-CZ3 4Å; W248-W251 HydrophobicContact CG-CD2 4.04Å; W248-W251 AromaticContact CG-CE3 3.45Å; W248-W251 HydrophobicContact CG-CE3 3.45Å; W248-W251 VanDerWaalsContact CG-CE3 3.45Å; W248-W251 HydrophobicContact CG-CH2 4.11Å; W248-W251 AromaticContact CG-CZ3 3.49Å; W248-W251 HydrophobicContact CG-CZ3 3.49Å; W248-W251 VanDerWaalsContact CG-CZ3 3.49Å; W248-W251 AromaticContact NE1-CZ3 3.53Å; W248-W251 PolarHBondContact O-N 3.28Å; W248-M252 WeakPolarHBondContact O-CB 3Å; W248-M252 PolarHBondContact O-N 3.46Å; W248-M276 HydrophobicContact CD2-CG 4.13Å; W248-M276 HydrophobicContact CG-CG 4.08Å; W248-M276 HydrophobicContact CH2-CE 4.45Å; W248-M276 HydrophobicContact CZ2-CE 4.21Å
249	V	92.4	Very high	88	Confident	3 Å²	3	48.6 Å²	48.6	2%	0.018	24%	0.235	C	C	.	.	H	α-helix	trans	-64.4	-46.4	-167.3	171.3	0	0	0	0	110.2	E138 I223 W251 M252 A253 L275 A277 V279 F281	E138-V249 WeakPolarHBondContact OE1-CB 3.38Å; E138-V249 PolarHBondContact OE1-N 2.65Å; E138-V249 VanDerWaalsContact OE2-CG2 3.3Å; E138-V249 WeakPolarHBondContact OE2-CG2 3.3Å; I223-V249 HydrophobicContact CD1-CG1 4.09Å; I223-V249 HydrophobicContact CG2-CG1 3.86Å; V249-W251 VanDerWaalsContact C-N 3.32Å; V249-W251 PolarHBondContact O-N 2.81Å; V249-M252 WeakPolarHBondContact O-CB 3.29Å; V249-M252 PolarHBondContact O-N 3.05Å; V249-A253 PolarHBondContact O-N 2.96Å; V249-L275 HydrophobicContact CG2-CB 4.21Å; V249-L275 HydrophobicContact CG2-CD1 4.46Å; V249-A277 HydrophobicContact CG2-CB 4.24Å; V249-V279 HydrophobicContact CG1-CB 4.03Å; V249-V279 HydrophobicContact CG1-CG1 4.21Å; V249-V279 HydrophobicContact CG1-CG2 3.64Å; V249-F281 HydrophobicContact CG1-CE1 3.98Å; V249-F281 HydrophobicContact CG1-CZ 4.09Å
250	T	94	Very high	89	Confident	1 Å²	1	47.2 Å²	47.2	1%	0.006	23%	0.231	C	C	.	.	H	α-helix	trans	-72.6	-26.8	-176.2	66.4	0	0	0	0	112.8	Y137 F207 V210 L211 I223 W248 R254	Y137-T250 HydrophobicContact CD1-CG2 3.33Å; Y137-T250 HydrophobicContact CE1-CG2 3.78Å; Y137-T250 HydrophobicContact CG-CG2 3.98Å; F207-T250 HydrophobicContact CZ-CG2 3.96Å; V210-T250 PolarHBondContact N-O 2.78Å; L211-T250 HydrophobicContact CD2-CG2 3.37Å; I223-T250 HydrophobicContact CD1-CG2 4.49Å; W248-T250 PolarHBondContact O-N 3.24Å; T250-R254 PolarHBondContact O-N 3.3Å
251	W	94.6	Very high	90.1	Very high	4 Å²	4	47.8 Å²	47.8	2%	0.015	25%	0.246	C	C	.	.	H	α-helix	trans	-80.8	-36.3	174.4	-60.8	-12.8	0	0	0	111.4	L108 P109 Y112 I116 W248 V249 A253 R254 E255	L108-W251 HydrophobicContact CB-CH2 4.43Å; L108-W251 HydrophobicContact CD1-CH2 3.88Å; L108-W251 HydrophobicContact CD2-CH2 3.65Å; L108-W251 HydrophobicContact CD2-CZ3 4.05Å; L108-W251 HydrophobicContact CG-CH2 4.17Å; P109-W251 HydrophobicContact CG-CE3 4.4Å; P109-W251 HydrophobicContact CG-CZ3 4.29Å; Y112-W251 HydrophobicContact CD1-CB 4.38Å; Y112-W251 AromaticContact CD1-CD2 3.9Å; Y112-W251 HydrophobicContact CD1-CD2 3.9Å; Y112-W251 HydrophobicContact CD1-CE3 4.39Å; Y112-W251 AromaticContact CD1-CG 3.85Å; Y112-W251 HydrophobicContact CD1-CG 3.85Å; Y112-W251 AromaticContact CD2-CD2 3.87Å; Y112-W251 HydrophobicContact CD2-CD2 3.87Å; Y112-W251 AromaticContact CD2-CE3 3.52Å; Y112-W251 HydrophobicContact CD2-CE3 3.52Å; Y112-W251 HydrophobicContact CD2-CG 4.32Å; Y112-W251 HydrophobicContact CD2-CZ3 4.09Å; Y112-W251 HydrophobicContact CE1-CB 3.81Å; Y112-W251 HydrophobicContact CE1-CD2 4.24Å; Y112-W251 AromaticContact CE1-CG 3.77Å; Y112-W251 HydrophobicContact CE1-CG 3.77Å; Y112-W251 HydrophobicContact CE2-CB 4.03Å; Y112-W251 HydrophobicContact CE2-CD2 4.21Å; Y112-W251 AromaticContact CE2-CE3 3.96Å; Y112-W251 HydrophobicContact CE2-CE3 3.96Å; Y112-W251 HydrophobicContact CE2-CG 4.25Å; Y112-W251 AromaticContact CG-CD2 3.71Å; Y112-W251 HydrophobicContact CG-CD2 3.71Å; Y112-W251 AromaticContact CG-CE3 3.76Å; Y112-W251 HydrophobicContact CG-CE3 3.76Å; Y112-W251 HydrophobicContact CG-CG 4.14Å; Y112-W251 HydrophobicContact CG-CZ3 4.23Å; Y112-W251 AromaticContact CZ-CG 3.98Å; I116-W251 HydrophobicContact CD1-CZ2 4.17Å; W248-W251 HydrophobicContact CB-CB 4.1Å; W248-W251 HydrophobicContact CB-CD2 3.71Å; W248-W251 HydrophobicContact CB-CE3 3.53Å; W248-W251 HydrophobicContact CB-CG 4.01Å; W248-W251 HydrophobicContact CB-CZ3 4.1Å; W248-W251 AromaticContact CD1-CE3 3.38Å; W248-W251 AromaticContact CD1-CZ3 3.2Å; W248-W251 HydrophobicContact CD2-CE3 4.35Å; W248-W251 HydrophobicContact CD2-CH2 4.19Å; W248-W251 HydrophobicContact CD2-CZ3 4Å; W248-W251 HydrophobicContact CG-CD2 4.04Å; W248-W251 AromaticContact CG-CE3 3.45Å; W248-W251 HydrophobicContact CG-CE3 3.45Å; W248-W251 VanDerWaalsContact CG-CE3 3.45Å; W248-W251 HydrophobicContact CG-CH2 4.11Å; W248-W251 AromaticContact CG-CZ3 3.49Å; W248-W251 HydrophobicContact CG-CZ3 3.49Å; W248-W251 VanDerWaalsContact CG-CZ3 3.49Å; W248-W251 AromaticContact NE1-CZ3 3.53Å; W248-W251 PolarHBondContact O-N 3.28Å; V249-W251 VanDerWaalsContact C-N 3.32Å; V249-W251 PolarHBondContact O-N 2.81Å; W251-A253 VanDerWaalsContact C-N 3.31Å; W251-A253 PolarHBondContact O-N 3.47Å; W251-R254 WeakPolarHBondContact O-CB 3.46Å; W251-R254 PolarHBondContact O-N 2.85Å; W251-E255 WeakPolarHBondContact O-CG 3.43Å; W251-E255 PolarHBondContact O-N 2.88Å
252	M	95.3	Very high	91.1	Very high	6 Å²	6	44 Å²	44	3%	0.03	23%	0.229	C	C	.	.	H	α-helix	trans	-59.2	-44	170.7	178	55.7	-174.8	0	0	111.1	K247 W248 V249 R254 E255 V256 S269 V273 L275	K247-M252 HydrophobicContact CB-CB 4.16Å; K247-M252 HydrophobicContact CD-CB 4.32Å; K247-M252 HydrophobicContact CD-CG 4.46Å; K247-M252 HydrophobicContact CD-SD 3.65Å; W248-M252 WeakPolarHBondContact O-CB 3Å; W248-M252 PolarHBondContact O-N 3.46Å; V249-M252 WeakPolarHBondContact O-CB 3.29Å; V249-M252 PolarHBondContact O-N 3.05Å; M252-R254 PolarHBondContact O-N 2.87Å; M252-E255 PolarHBondContact O-N 2.63Å; M252-V256 HydrophobicContact CE-CG2 3.45Å; M252-V256 VanDerWaalsContact CE-CG2 3.45Å; M252-V256 WeakPolarHBondContact O-CG2 3.31Å; M252-V256 PolarHBondContact O-N 2.69Å; M252-V256 HydrophobicContact SD-CG2 4.12Å; M252-S269 VanDerWaalsContact CE-O 3.29Å; M252-S269 WeakPolarHBondContact CE-O 3.49Å; M252-V273 HydrophobicContact CE-CB 3.82Å; M252-V273 HydrophobicContact CE-CG1 4.18Å; M252-V273 HydrophobicContact CE-CG2 3.55Å; M252-V273 HydrophobicContact SD-CB 4.39Å; M252-V273 HydrophobicContact SD-CG1 4.09Å; M252-V273 HydrophobicContact SD-CG2 4.36Å; M252-L275 HydrophobicContact CB-CD2 4.31Å; M252-L275 HydrophobicContact CG-CD2 4.18Å
253	A	97	Very high	92.2	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.008	20%	0.199	C	C	.	.	H	α-helix	trans	-60.7	-43.4	175.1	0	0	0	0	0	112.8	V210 L221 I223 V249 W251 E255 V256 L257	V210-A253 WeakPolarHBondContact O-CB 3.3Å; L221-A253 HydrophobicContact CD2-CB 3.65Å; I223-A253 HydrophobicContact CD1-CB 3.45Å; I223-A253 VanDerWaalsContact CD1-CB 3.45Å; I223-A253 HydrophobicContact CG1-CB 4.3Å; V249-A253 PolarHBondContact O-N 2.96Å; W251-A253 VanDerWaalsContact C-N 3.31Å; W251-A253 PolarHBondContact O-N 3.47Å; A253-E255 VanDerWaalsContact C-N 3.33Å; A253-E255 PolarHBondContact O-N 2.85Å; A253-V256 PolarHBondContact O-N 2.81Å; A253-L257 PolarHBondContact O-N 2.72Å
254	R	97.6	Very high	93.5	Very high	7 Å²	7	37.2 Å²	37.2	3%	0.026	19%	0.192	C	C	.	.	H	α-helix	trans	-58.4	-44.4	172.8	-179.3	172.3	166.8	-166.1	-6.9	111.6	E115 W191 F199 I208 V210 T250 W251 M252 T258	E115-R254 IonicContact OE1-CZ 3.53Å; E115-R254 IonicContact OE1-NH1 3.89Å; E115-R254 IonicContact OE1-NH2 3.67Å; E115-R254 PolarHBondContact OE1-NH2 3.39Å; E115-R254 IonicContact OE2-CZ 3.39Å; E115-R254 IonicContact OE2-NH1 2.79Å; E115-R254 PolarHBondContact OE2-NH1 2.78Å; E115-R254 IonicContact OE2-NH2 3.55Å; E115-R254 PolarHBondContact OE2-NH2 3.39Å; W191-R254 VanDerWaalsContact CH2-CZ 3.5Å; W191-R254 VanDerWaalsContact CH2-NE 3.35Å; F199-R254 HydrophobicContact CZ-CG 4.24Å; I208-R254 VanDerWaalsContact O-CD 3.25Å; I208-R254 WeakPolarHBondContact O-CD 3.29Å; I208-R254 PolarHBondContact O-NH1 2.9Å; V210-R254 HydrophobicContact CB-CB 4.16Å; V210-R254 HydrophobicContact CG2-CB 3.73Å; V210-R254 HydrophobicContact CG2-CG 3.98Å; T250-R254 PolarHBondContact O-N 3.3Å; W251-R254 WeakPolarHBondContact O-CB 3.46Å; W251-R254 PolarHBondContact O-N 2.85Å; M252-R254 PolarHBondContact O-N 2.87Å; R254-T258 WeakPolarHBondContact O-CB 3.23Å; R254-T258 PolarHBondContact O-N 2.84Å; R254-T258 PolarHBondContact O-OG1 3.21Å
255	E	97.4	Very high	94.9	Very high	37 Å²	37	41.1 Å²	41.1	17%	0.173	21%	0.21	C	C	.	.	H	α-helix	trans	-63.8	-42.3	177.3	-74.5	-176.2	-144.3	0	0	112.8	Y112 K247 W251 M252 A253 T258 K259	Y112-E255 WeakPolarHBondContact OH-CG 3.38Å; Y112-E255 PolarHBondContact OH-OE1 2.99Å; K247-E255 IonicContact NZ-OE1 3.65Å; K247-E255 IonicContact NZ-OE2 3.67Å; K247-E255 PolarHBondContact NZ-OE2 2.96Å; W251-E255 WeakPolarHBondContact O-CG 3.43Å; W251-E255 PolarHBondContact O-N 2.88Å; M252-E255 PolarHBondContact O-N 2.63Å; A253-E255 VanDerWaalsContact C-N 3.33Å; A253-E255 PolarHBondContact O-N 2.85Å; E255-T258 PolarHBondContact O-N 2.84Å; E255-K259 WeakPolarHBondContact O-CB 3.31Å; E255-K259 WeakPolarHBondContact O-CG 3.46Å; E255-K259 PolarHBondContact O-N 3.08Å; E255-K259 IonicContact OE2-NZ 2.76Å; E255-K259 PolarHBondContact OE2-NZ 2.8Å
256	V	98.4	Very high	95.9	Very high	5 Å²	5	31.7 Å²	31.7	3%	0.03	17%	0.17	C	C	.	.	H	α-helix	trans	-62.6	-49.4	178	168.8	0	0	0	0	110.3	F219 M252 A253 T258 K259 A260 A266 L270	F219-V256 HydrophobicContact CE2-CG1 3.98Å; F219-V256 HydrophobicContact CZ-CG1 3.74Å; M252-V256 HydrophobicContact CE-CG2 3.45Å; M252-V256 VanDerWaalsContact CE-CG2 3.45Å; M252-V256 WeakPolarHBondContact O-CG2 3.31Å; M252-V256 PolarHBondContact O-N 2.69Å; M252-V256 HydrophobicContact SD-CG2 4.12Å; A253-V256 PolarHBondContact O-N 2.81Å; V256-T258 PolarHBondContact O-N 2.94Å; V256-K259 PolarHBondContact O-N 2.55Å; V256-A260 HydrophobicContact CG1-CB 4.11Å; V256-A260 VanDerWaalsContact O-CB 3.3Å; V256-A260 WeakPolarHBondContact O-CB 3.18Å; V256-A260 PolarHBondContact O-N 2.89Å; V256-A266 HydrophobicContact CG1-CB 3.76Å; V256-L270 HydrophobicContact CB-CD2 4.43Å; V256-L270 HydrophobicContact CG1-CD1 4.34Å; V256-L270 HydrophobicContact CG1-CD2 4.47Å; V256-L270 HydrophobicContact CG1-CG 4.24Å; V256-L270 HydrophobicContact CG2-CD2 3.94Å; V256-L270 HydrophobicContact CG2-CG 4.21Å
257	L	98.7	Very high	96.5	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-59.5	-34.8	174.6	-76	162.2	0	0	0	112.3	F199 V210 K215 F219 L221 A253	F199-L257 HydrophobicContact CB-CB 4.31Å; F199-L257 HydrophobicContact CB-CD2 4.43Å; F199-L257 HydrophobicContact CD1-CB 3.99Å; F199-L257 HydrophobicContact CD2-CB 3.77Å; F199-L257 HydrophobicContact CD2-CD1 3.93Å; F199-L257 HydrophobicContact CD2-CD2 4.39Å; F199-L257 HydrophobicContact CD2-CG 4.26Å; F199-L257 HydrophobicContact CE1-CB 4.22Å; F199-L257 HydrophobicContact CE2-CB 4Å; F199-L257 HydrophobicContact CE2-CD1 3.98Å; F199-L257 HydrophobicContact CG-CB 3.77Å; F199-L257 HydrophobicContact CZ-CB 4.22Å; V210-L257 HydrophobicContact CB-CD1 4.3Å; V210-L257 HydrophobicContact CG1-CD1 3.5Å; V210-L257 VanDerWaalsContact CG1-CD1 3.5Å; K215-L257 HydrophobicContact CB-CD2 4.11Å; K215-L257 WeakPolarHBondContact CD-O 3.2Å; K215-L257 WeakPolarHBondContact CE-O 3.12Å; K215-L257 PolarHBondContact NZ-O 2.87Å; F219-L257 HydrophobicContact CD2-CD2 4.3Å; F219-L257 HydrophobicContact CE2-CD2 3.6Å; F219-L257 HydrophobicContact CE2-CG 4.13Å; F219-L257 HydrophobicContact CZ-CD2 4.06Å; F219-L257 HydrophobicContact CZ-CG 4.47Å; L221-L257 HydrophobicContact CB-CD2 4.39Å; L221-L257 HydrophobicContact CB-CG 4.5Å; L221-L257 HydrophobicContact CD2-CD1 4.39Å; L221-L257 HydrophobicContact CD2-CG 4.35Å; A253-L257 PolarHBondContact O-N 2.72Å
258	T	98.2	Very high	97	Very high	48 Å²	48	35.7 Å²	35.7	29%	0.294	19%	0.187	S	C	.	.	H	α-helix	trans	-69.8	-47.2	175.9	-54.1	0	0	0	0	111.7	L55 K215 R254 E255 V256	L55-T258 HydrophobicContact CD1-CG2 4.38Å; K215-T258 PolarHBondContact NZ-O 2.8Å; R254-T258 WeakPolarHBondContact O-CB 3.23Å; R254-T258 PolarHBondContact O-N 2.84Å; R254-T258 PolarHBondContact O-OG1 3.21Å; E255-T258 PolarHBondContact O-N 2.84Å; V256-T258 PolarHBondContact O-N 2.94Å
259	K	97.7	Very high	97.4	Very high	153 Å²	153	36.8 Å²	36.8	67%	0.665	20%	0.196	S	C	*	.	H	α-helix	trans	-102	-41.3	-163.3	-65.1	175.5	-178.8	169.6	0	114.9	E255 V256 G261	E255-K259 WeakPolarHBondContact O-CB 3.31Å; E255-K259 WeakPolarHBondContact O-CG 3.46Å; E255-K259 PolarHBondContact O-N 3.08Å; E255-K259 IonicContact OE2-NZ 2.76Å; E255-K259 PolarHBondContact OE2-NZ 2.8Å; V256-K259 PolarHBondContact O-N 2.55Å; K259-G261 PolarHBondContact O-N 3.45Å
260	A	98.2	Very high	97.6	Very high	5 Å²	5	36.7 Å²	36.7	4%	0.041	20%	0.196	C	C	.	.			trans	-67.3	132.4	-176.8	0	0	0	0	0	110.3	K215 F219 V256 E265 A266	K215-A260 VanDerWaalsContact CD-O 3.25Å; K215-A260 WeakPolarHBondContact CD-O 3.34Å; K215-A260 VanDerWaalsContact CE-O 3.29Å; K215-A260 WeakPolarHBondContact CE-O 3.14Å; K215-A260 PolarHBondContact NZ-O 2.77Å; F219-A260 HydrophobicContact CE1-CB 3.92Å; F219-A260 HydrophobicContact CZ-CB 4.13Å; V256-A260 HydrophobicContact CG1-CB 4.11Å; V256-A260 VanDerWaalsContact O-CB 3.3Å; V256-A260 WeakPolarHBondContact O-CB 3.18Å; V256-A260 PolarHBondContact O-N 2.89Å; A260-E265 HydrophobicContact CB-CB 4Å; A260-A266 HydrophobicContact CB-CB 4.27Å
261	G	97.7	Very high	97.8	Very high	49 Å²	49	37.4 Å²	37.4	51%	0.505	20%	0.201	S	C	.	.			trans	-90.6	-16.1	-179.5	0	0	0	0	0	113.9	K259 E265	K259-G261 PolarHBondContact O-N 3.45Å; G261-E265 PolarHBondContact N-OE2 2.58Å
262	S	98.4	Very high	97.9	Very high	38 Å²	38	41.1 Å²	41.1	27%	0.266	22%	0.224	S	C	.	.	S	Bend	trans	-143.1	165.9	-174	70.9	0	0	0	0	112.7	F219 D264 E265 A266	F219-S262 WeakPolarHBondContact CD1-O 2.93Å; S262-D264 VanDerWaalsContact C-N 3.34Å; S262-E265 WeakPolarHBondContact OG-CG 3.42Å; S262-E265 PolarHBondContact OG-N 3.13Å; S262-A266 PolarHBondContact O-N 2.91Å; S262-A266 VanDerWaalsContact O-N 3.11Å
263	Y	98.6	Very high	97.8	Very high	18 Å²	18	42.6 Å²	42.6	7%	0.071	23%	0.233	C	C	.	.	H	α-helix	trans	-54.2	-48.2	169.9	171.8	-95.8	0	0	0	111.8	E265 A266 I267 V283 K290 A292	Y263-E265 PolarHBondContact O-N 2.9Å; Y263-A266 WeakPolarHBondContact O-CB 3.28Å; Y263-A266 PolarHBondContact O-N 3.23Å; Y263-A266 VanDerWaalsContact O-N 3.14Å; Y263-I267 HydrophobicContact CD1-CG1 4.13Å; Y263-I267 HydrophobicContact CD2-CG1 4.38Å; Y263-I267 HydrophobicContact CE1-CD1 4.4Å; Y263-I267 HydrophobicContact CE1-CG1 3.73Å; Y263-I267 HydrophobicContact CE2-CD1 3.98Å; Y263-I267 HydrophobicContact CE2-CG1 4Å; Y263-I267 HydrophobicContact CG-CG1 4.44Å; Y263-I267 WeakPolarHBondContact O-CG1 3.45Å; Y263-I267 PolarHBondContact O-N 3.44Å; Y263-V283 HydrophobicContact CD2-CG1 3.74Å; Y263-V283 HydrophobicContact CE2-CB 4.15Å; Y263-V283 HydrophobicContact CE2-CG1 3.78Å; Y263-K290 HydrophobicContact CD1-CB 4.05Å; Y263-K290 HydrophobicContact CD1-CD 3.92Å; Y263-K290 HydrophobicContact CD1-CG 3.96Å; Y263-K290 HydrophobicContact CD2-CB 4.13Å; Y263-K290 HydrophobicContact CE1-CB 4.04Å; Y263-K290 HydrophobicContact CE1-CG 4.11Å; Y263-K290 HydrophobicContact CE2-CB 4.13Å; Y263-K290 HydrophobicContact CG-CB 4.09Å; Y263-K290 HydrophobicContact CG-CD 4.08Å; Y263-K290 HydrophobicContact CG-CG 4.34Å; Y263-A292 VanDerWaalsContact OH-CB 3.25Å; Y263-A292 WeakPolarHBondContact OH-CB 3.21Å
264	D	98.5	Very high	97.6	Very high	95 Å²	95	49 Å²	49	51%	0.508	26%	0.257	S	S	.	.	H	α-helix	trans	-66.9	-38.8	-175.5	-57.6	-58.5	0	0	0	112.3	S262 A266 I267 F268	S262-D264 VanDerWaalsContact C-N 3.34Å; D264-A266 VanDerWaalsContact C-N 3.32Å; D264-A266 PolarHBondContact O-N 3.44Å; D264-I267 PolarHBondContact O-N 3.39Å; D264-F268 WeakPolarHBondContact O-CB 3.41Å; D264-F268 PolarHBondContact O-N 2.69Å
265	E	98.5	Very high	97.3	Very high	103 Å²	103	48.7 Å²	48.7	48%	0.481	26%	0.256	S	S	.	.	H	α-helix	trans	-64.2	-37.4	173.2	-74.7	178.5	-168.7	0	0	112.2	A260 G261 S262 Y263 S269	A260-E265 HydrophobicContact CB-CB 4Å; G261-E265 PolarHBondContact N-OE2 2.58Å; S262-E265 WeakPolarHBondContact OG-CG 3.42Å; S262-E265 PolarHBondContact OG-N 3.13Å; Y263-E265 PolarHBondContact O-N 2.9Å; E265-S269 WeakPolarHBondContact O-CB 3.2Å; E265-S269 PolarHBondContact O-N 2.88Å; E265-S269 PolarHBondContact O-OG 3.4Å
266	A	98.7	Very high	96.8	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-65.7	-49.3	175.2	0	0	0	0	0	110.9	F219 V256 A260 S262 Y263 D264 F268 S269 L270	F219-A266 HydrophobicContact CD1-CB 3.86Å; F219-A266 HydrophobicContact CD2-CB 3.92Å; F219-A266 HydrophobicContact CE1-CB 3.71Å; F219-A266 HydrophobicContact CE2-CB 3.76Å; F219-A266 HydrophobicContact CG-CB 3.98Å; F219-A266 HydrophobicContact CZ-CB 3.66Å; V256-A266 HydrophobicContact CG1-CB 3.76Å; A260-A266 HydrophobicContact CB-CB 4.27Å; S262-A266 PolarHBondContact O-N 2.91Å; S262-A266 VanDerWaalsContact O-N 3.11Å; Y263-A266 WeakPolarHBondContact O-CB 3.28Å; Y263-A266 PolarHBondContact O-N 3.23Å; Y263-A266 VanDerWaalsContact O-N 3.14Å; D264-A266 VanDerWaalsContact C-N 3.32Å; D264-A266 PolarHBondContact O-N 3.44Å; A266-F268 VanDerWaalsContact C-N 3.33Å; A266-F268 PolarHBondContact O-N 2.76Å; A266-S269 PolarHBondContact O-N 2.76Å; A266-L270 VanDerWaalsContact O-CB 3.26Å; A266-L270 WeakPolarHBondContact O-CB 3.43Å; A266-L270 WeakPolarHBondContact O-CD1 3.48Å; A266-L270 WeakPolarHBondContact O-CG 3.22Å; A266-L270 PolarHBondContact O-N 3.24Å
267	I	98.5	Very high	96.2	Very high	25 Å²	25	46.9 Å²	46.9	13%	0.128	25%	0.247	C	C	.	.	H	α-helix	trans	-55.7	-48.5	176	-66.5	-62.7	0	0	0	110.7	Y263 D264 L270 S271 V283 A292 I294	Y263-I267 HydrophobicContact CD1-CG1 4.13Å; Y263-I267 HydrophobicContact CD2-CG1 4.38Å; Y263-I267 HydrophobicContact CE1-CD1 4.4Å; Y263-I267 HydrophobicContact CE1-CG1 3.73Å; Y263-I267 HydrophobicContact CE2-CD1 3.98Å; Y263-I267 HydrophobicContact CE2-CG1 4Å; Y263-I267 HydrophobicContact CG-CG1 4.44Å; Y263-I267 WeakPolarHBondContact O-CG1 3.45Å; Y263-I267 PolarHBondContact O-N 3.44Å; D264-I267 PolarHBondContact O-N 3.39Å; I267-L270 PolarHBondContact O-N 2.83Å; I267-S271 VanDerWaalsContact O-CB 3.26Å; I267-S271 WeakPolarHBondContact O-CB 3.42Å; I267-S271 PolarHBondContact O-N 3.36Å; I267-S271 PolarHBondContact O-OG 3.33Å; I267-V283 HydrophobicContact CD1-CB 3.87Å; I267-V283 HydrophobicContact CD1-CG1 4.17Å; I267-V283 HydrophobicContact CD1-CG2 3.91Å; I267-A292 HydrophobicContact CD1-CB 3.86Å; I267-I294 HydrophobicContact CD1-CD1 3.84Å; I267-I294 HydrophobicContact CD1-CG1 4.31Å; I267-I294 HydrophobicContact CG2-CD1 4.41Å
268	F	98.4	Very high	95.9	Very high	138 Å²	138	46.9 Å²	46.9	61%	0.605	25%	0.248	S	C	*	.	H	α-helix	trans	-58.4	-53.4	178.7	177.7	-100.7	0	0	0	111.5	D264 A266 L270 S271 V272	D264-F268 WeakPolarHBondContact O-CB 3.41Å; D264-F268 PolarHBondContact O-N 2.69Å; A266-F268 VanDerWaalsContact C-N 3.33Å; A266-F268 PolarHBondContact O-N 2.76Å; F268-L270 VanDerWaalsContact C-N 3.32Å; F268-L270 PolarHBondContact O-N 2.8Å; F268-S271 PolarHBondContact O-N 2.84Å; F268-S271 VanDerWaalsContact O-N 3.07Å; F268-V272 HydrophobicContact CD2-CG1 4.37Å; F268-V272 HydrophobicContact CE1-CG2 4.21Å; F268-V272 HydrophobicContact CE2-CG1 4.11Å; F268-V272 HydrophobicContact CZ-CG1 4.46Å; F268-V272 HydrophobicContact CZ-CG2 4.26Å; F268-V272 WeakPolarHBondContact O-CG2 3.45Å; F268-V272 PolarHBondContact O-N 2.68Å
269	S	97.6	Very high	95.7	Very high	36 Å²	36	44.7 Å²	44.7	25%	0.252	23%	0.234	S	C	.	.	H	α-helix	trans	-59.2	-43.5	-178.6	-61	0	0	0	0	112.2	M252 E265 A266 S271 V273	M252-S269 VanDerWaalsContact CE-O 3.29Å; M252-S269 WeakPolarHBondContact CE-O 3.49Å; E265-S269 WeakPolarHBondContact O-CB 3.2Å; E265-S269 PolarHBondContact O-N 2.88Å; E265-S269 PolarHBondContact O-OG 3.4Å; A266-S269 PolarHBondContact O-N 2.76Å; S269-S271 PolarHBondContact O-N 3.03Å; S269-V273 WeakPolarHBondContact O-CG2 2.97Å
270	L	98.2	Very high	95.7	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.005	20%	0.203	C	C	.	.	H	α-helix	trans	-72.8	-14.5	179.7	-67	169.4	0	0	0	113.2	L221 V256 A266 I267 F268 F281 V283 I294 R296	L221-L270 HydrophobicContact CD1-CD1 3.68Å; L221-L270 HydrophobicContact CD2-CD1 4.24Å; L221-L270 HydrophobicContact CD2-CD2 4.33Å; V256-L270 HydrophobicContact CB-CD2 4.43Å; V256-L270 HydrophobicContact CG1-CD1 4.34Å; V256-L270 HydrophobicContact CG1-CD2 4.47Å; V256-L270 HydrophobicContact CG1-CG 4.24Å; V256-L270 HydrophobicContact CG2-CD2 3.94Å; V256-L270 HydrophobicContact CG2-CG 4.21Å; A266-L270 VanDerWaalsContact O-CB 3.26Å; A266-L270 WeakPolarHBondContact O-CB 3.43Å; A266-L270 WeakPolarHBondContact O-CD1 3.48Å; A266-L270 WeakPolarHBondContact O-CG 3.22Å; A266-L270 PolarHBondContact O-N 3.24Å; I267-L270 PolarHBondContact O-N 2.83Å; F268-L270 VanDerWaalsContact C-N 3.32Å; F268-L270 PolarHBondContact O-N 2.8Å; L270-F281 HydrophobicContact CB-CD2 3.8Å; L270-F281 HydrophobicContact CB-CE2 4.18Å; L270-F281 HydrophobicContact CB-CG 4.29Å; L270-F281 HydrophobicContact CD1-CB 4.25Å; L270-F281 HydrophobicContact CD1-CG 4.31Å; L270-F281 HydrophobicContact CD2-CD1 3.95Å; L270-F281 HydrophobicContact CD2-CD2 3.87Å; L270-F281 HydrophobicContact CD2-CE1 3.88Å; L270-F281 HydrophobicContact CD2-CE2 3.77Å; L270-F281 HydrophobicContact CD2-CG 3.94Å; L270-F281 HydrophobicContact CD2-CZ 3.79Å; L270-F281 HydrophobicContact CG-CD2 4.29Å; L270-F281 HydrophobicContact CG-CG 4.41Å; L270-V283 HydrophobicContact CD1-CG2 3.75Å; L270-I294 HydrophobicContact CB-CD1 3.75Å; L270-R296 WeakPolarHBondContact O-CD 3.26Å; L270-R296 PolarHBondContact O-NH1 2.87Å
271	S	97.8	Very high	95.7	Very high	17 Å²	17	37.2 Å²	37.2	12%	0.119	20%	0.201	C	C	.	.	H	α-helix	trans	-93.9	-26.8	-178.5	-61.8	0	0	0	0	113.9	I267 F268 S269 T301	I267-S271 VanDerWaalsContact O-CB 3.26Å; I267-S271 WeakPolarHBondContact O-CB 3.42Å; I267-S271 PolarHBondContact O-N 3.36Å; I267-S271 PolarHBondContact O-OG 3.33Å; F268-S271 PolarHBondContact O-N 2.84Å; F268-S271 VanDerWaalsContact O-N 3.07Å; S269-S271 PolarHBondContact O-N 3.03Å; S271-T301 VanDerWaalsContact CA-OG1 3.26Å; S271-T301 WeakPolarHBondContact CA-OG1 3.14Å; S271-T301 WeakPolarHBondContact CB-OG1 3.38Å; S271-T301 PolarHBondContact O-OG1 2.91Å
272	V	96.1	Very high	95.7	Very high	81 Å²	81	35.1 Å²	35.1	49%	0.491	18%	0.177	S	C	.	.	H	α-helix	trans	-112.1	-23.8	-167.1	-55.8	0	0	0	0	114.7	F268	F268-V272 HydrophobicContact CD2-CG1 4.37Å; F268-V272 HydrophobicContact CE1-CG2 4.21Å; F268-V272 HydrophobicContact CE2-CG1 4.11Å; F268-V272 HydrophobicContact CZ-CG1 4.46Å; F268-V272 HydrophobicContact CZ-CG2 4.26Å; F268-V272 WeakPolarHBondContact O-CG2 3.45Å; F268-V272 PolarHBondContact O-N 2.68Å
273	V	93.7	Very high	95.7	Very high	38 Å²	38	33.3 Å²	33.3	23%	0.23	17%	0.165	C	C	.	.	S	Bend	trans	-73.6	133.3	-176.4	173.2	0	0	0	0	110.8	K247 M252 S269 R296	K247-V273 HydrophobicContact CB-CG1 4.25Å; K247-V273 HydrophobicContact CD-CG1 3.94Å; K247-V273 HydrophobicContact CG-CG1 4.01Å; M252-V273 HydrophobicContact CE-CB 3.82Å; M252-V273 HydrophobicContact CE-CG1 4.18Å; M252-V273 HydrophobicContact CE-CG2 3.55Å; M252-V273 HydrophobicContact SD-CB 4.39Å; M252-V273 HydrophobicContact SD-CG1 4.09Å; M252-V273 HydrophobicContact SD-CG2 4.36Å; S269-V273 WeakPolarHBondContact O-CG2 2.97Å; V273-R296 PolarHBondContact O-NH1 2.89Å; V273-R296 PolarHBondContact O-NH2 3.31Å
274	R	92.4	Very high	95.7	Very high	135 Å²	135	32.4 Å²	32.4	51%	0.509	16%	0.161	S	C	.	.			trans	-67.8	135.4	173.7	-71.5	-171.3	174.8	168.2	-3.3	111.8	E244 K247 R298	E244-R274 WeakPolarHBondContact OE1-CD 3.49Å; K247-R274 PolarHBondContact N-O 2.83Å; R274-R298 CarbonylContact C-O 3.59Å; R274-R298 WeakPolarHBondContact CA-O 3.19Å
275	L	91.4	Very high	95.7	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.005	14%	0.137	C	C	.	.	B	Isolated β-bridge	trans	-118.8	153.7	-170.9	-59.1	173.9	0	0	0	112.3	K247 V249 M252 A277 V279 F281 R296 R298	K247-L275 CarbonylContact O-C 3.32Å; K247-L275 WeakPolarHBondContact O-CA 3.14Å; V249-L275 HydrophobicContact CG2-CB 4.21Å; V249-L275 HydrophobicContact CG2-CD1 4.46Å; M252-L275 HydrophobicContact CB-CD2 4.31Å; M252-L275 HydrophobicContact CG-CD2 4.18Å; L275-A277 WeakPolarHBondContact CB-O 3.38Å; L275-V279 HydrophobicContact CD1-CG1 3.48Å; L275-V279 VanDerWaalsContact CD1-CG1 3.48Å; L275-F281 HydrophobicContact CD1-CE2 3.83Å; L275-F281 HydrophobicContact CD1-CZ 4.02Å; L275-R296 HydrophobicContact CD1-CB 4.18Å; L275-R296 HydrophobicContact CD1-CG 4.32Å; L275-R298 PolarHBondContact N-O 2.97Å; L275-R298 WeakPolarHBondContact O-CB 3.25Å
276	M	86.1	Confident	95.7	Very high	3 Å²	3	24.3 Å²	24.3	2%	0.015	12%	0.123	C	C	.	.	S	Bend	trans	-65.6	-41.7	173.8	-71.9	-62.7	-67.2	0	0	112	G235 L236 W239 K247 W248 R298	G235-M276 WeakPolarHBondContact CA-O 3.13Å; G235-M276 VanDerWaalsContact O-CE 3.23Å; G235-M276 WeakPolarHBondContact O-CE 3.4Å; L236-M276 HydrophobicContact CB-CE 4.44Å; W239-M276 HydrophobicContact CB-CE 3.46Å; W239-M276 VanDerWaalsContact CB-CE 3.46Å; W239-M276 HydrophobicContact CB-SD 3.61Å; W239-M276 HydrophobicContact CG-CE 3.89Å; W239-M276 HydrophobicContact CG-SD 3.86Å; K247-M276 WeakPolarHBondContact O-CG 3.48Å; K247-M276 PolarHBondContact O-N 3.13Å; W248-M276 HydrophobicContact CD2-CG 4.13Å; W248-M276 HydrophobicContact CG-CG 4.08Å; W248-M276 HydrophobicContact CH2-CE 4.45Å; W248-M276 HydrophobicContact CZ2-CE 4.21Å; M276-R298 VanDerWaalsContact O-CD 3.25Å; M276-R298 WeakPolarHBondContact O-CD 3.41Å; M276-R298 PolarHBondContact O-NE 2.89Å
277	A	87.4	Confident	95.6	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.145	C	C	.	.	S	Bend	trans	-127.5	156.2	179.5	0	0	0	0	0	111.2	E138 V249 L275	E138-A277 WeakPolarHBondContact OE2-CB 3.37Å; V249-A277 HydrophobicContact CG2-CB 4.24Å; L275-A277 WeakPolarHBondContact CB-O 3.38Å
278	P	91.3	Very high	95.4	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.006	15%	0.153	C	C	.	.			trans	-61.8	152.4	163.6	-10.3	25.4	0	0	0	110.8	R226 D228 N230 R296 R298	R226-P278 HydrophobicContact CB-CB 4.05Å; R226-P278 HydrophobicContact CG-CB 4.03Å; R226-P278 WeakPolarHBondContact O-CB 3.38Å; D228-P278 HydrophobicContact CB-CB 4.3Å; D228-P278 HydrophobicContact CB-CG 3.73Å; N230-P278 WeakPolarHBondContact O-CG 3.37Å; P278-R296 WeakPolarHBondContact CA-O 3.35Å; P278-R296 WeakPolarHBondContact CB-O 3.26Å; P278-R298 HydrophobicContact CG-CG 4.27Å
279	V	94.4	Very high	95.3	Very high	1 Å²	1	23 Å²	23	1%	0.006	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	158.2	-174.4	64.1	0	0	0	0	112	I223 N224 V249 L275 F281 R296	I223-V279 HydrophobicContact CG2-CG2 3.46Å; I223-V279 VanDerWaalsContact CG2-CG2 3.46Å; N224-V279 WeakPolarHBondContact O-CG2 3.35Å; V249-V279 HydrophobicContact CG1-CB 4.03Å; V249-V279 HydrophobicContact CG1-CG1 4.21Å; V249-V279 HydrophobicContact CG1-CG2 3.64Å; L275-V279 HydrophobicContact CD1-CG1 3.48Å; L275-V279 VanDerWaalsContact CD1-CG1 3.48Å; V279-F281 HydrophobicContact CG1-CD2 3.99Å; V279-F281 HydrophobicContact CG1-CE1 4.08Å; V279-F281 HydrophobicContact CG1-CE2 3.5Å; V279-F281 VanDerWaalsContact CG1-CE2 3.5Å; V279-F281 HydrophobicContact CG1-CG 4.49Å; V279-F281 HydrophobicContact CG1-CZ 3.55Å; V279-F281 HydrophobicContact CG2-CD1 4.27Å; V279-F281 HydrophobicContact CG2-CE1 4.05Å; V279-F281 HydrophobicContact CG2-CZ 4.34Å; V279-R296 HydrophobicContact CG1-CB 3.68Å; V279-R296 HydrophobicContact CG1-CG 4.1Å; V279-R296 PolarHBondContact N-O 2.78Å; V279-R296 WeakPolarHBondContact O-CA 3.45Å; V279-R296 WeakPolarHBondContact O-CB 3.08Å; V279-R296 PolarHBondContact O-N 3.13Å
280	Y	97.2	Very high	95.3	Very high	2 Å²	2	24 Å²	24	1%	0.008	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	124.7	157.5	-48.5	-83.4	0	0	0	110.2	N224 E225 R226 I294 T295 Q319 Y322 D323	N224-Y280 HydrophobicContact CB-CD2 4.06Å; N224-Y280 PolarHBondContact N-O 2.99Å; N224-Y280 PolarHBondContact O-N 3.35Å; E225-Y280 WeakPolarHBondContact O-CE2 3.04Å; R226-Y280 HydrophobicContact CB-CD2 3.83Å; R226-Y280 HydrophobicContact CB-CE2 3.41Å; R226-Y280 VanDerWaalsContact CB-CE2 3.41Å; R226-Y280 HydrophobicContact CG-CE1 4.27Å; R226-Y280 HydrophobicContact CG-CE2 3.73Å; R226-Y280 WeakPolarHBondContact CG-OH 3.39Å; Y280-I294 WeakPolarHBondContact CA-O 3.48Å; Y280-T295 HydrophobicContact CD1-CG2 3.96Å; Y280-T295 HydrophobicContact CE1-CG2 3.56Å; Y280-Q319 HydrophobicContact CD1-CG 4.12Å; Y280-Q319 HydrophobicContact CD2-CG 4.22Å; Y280-Q319 HydrophobicContact CG-CG 3.77Å; Y280-Y322 WeakPolarHBondContact OH-CA 3.39Å; Y280-D323 VanDerWaalsContact CE1-OD1 3.31Å; Y280-D323 WeakPolarHBondContact CE1-OD1 3.36Å; Y280-D323 WeakPolarHBondContact OH-CA 3.37Å; Y280-D323 PolarHBondContact OH-N 3.05Å; Y280-D323 PolarHBondContact OH-OD1 3.21Å
281	F	98.3	Very high	95.4	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	126.7	166.5	-63.1	-61.1	0	0	0	109.3	L221 I223 V249 L270 L275 V279 V283 V293 I294 R296	L221-F281 HydrophobicContact CD1-CB 4.08Å; L221-F281 HydrophobicContact CD1-CD1 3.99Å; L221-F281 HydrophobicContact CD1-CG 4.4Å; I223-F281 HydrophobicContact CD1-CE1 4.22Å; I223-F281 HydrophobicContact CG1-CD1 4.05Å; I223-F281 HydrophobicContact CG1-CE1 4.03Å; V249-F281 HydrophobicContact CG1-CE1 3.98Å; V249-F281 HydrophobicContact CG1-CZ 4.09Å; L270-F281 HydrophobicContact CB-CD2 3.8Å; L270-F281 HydrophobicContact CB-CE2 4.18Å; L270-F281 HydrophobicContact CB-CG 4.29Å; L270-F281 HydrophobicContact CD1-CB 4.25Å; L270-F281 HydrophobicContact CD1-CG 4.31Å; L270-F281 HydrophobicContact CD2-CD1 3.95Å; L270-F281 HydrophobicContact CD2-CD2 3.87Å; L270-F281 HydrophobicContact CD2-CE1 3.88Å; L270-F281 HydrophobicContact CD2-CE2 3.77Å; L270-F281 HydrophobicContact CD2-CG 3.94Å; L270-F281 HydrophobicContact CD2-CZ 3.79Å; L270-F281 HydrophobicContact CG-CD2 4.29Å; L270-F281 HydrophobicContact CG-CG 4.41Å; L275-F281 HydrophobicContact CD1-CE2 3.83Å; L275-F281 HydrophobicContact CD1-CZ 4.02Å; V279-F281 HydrophobicContact CG1-CD2 3.99Å; V279-F281 HydrophobicContact CG1-CE1 4.08Å; V279-F281 HydrophobicContact CG1-CE2 3.5Å; V279-F281 VanDerWaalsContact CG1-CE2 3.5Å; V279-F281 HydrophobicContact CG1-CG 4.49Å; V279-F281 HydrophobicContact CG1-CZ 3.55Å; V279-F281 HydrophobicContact CG2-CD1 4.27Å; V279-F281 HydrophobicContact CG2-CE1 4.05Å; V279-F281 HydrophobicContact CG2-CZ 4.34Å; F281-V283 HydrophobicContact CB-CG2 4.5Å; F281-V293 CarbonylContact O-C 3.54Å; F281-V293 WeakPolarHBondContact O-CA 3.09Å; F281-I294 HydrophobicContact CB-CB 4.27Å; F281-I294 HydrophobicContact CB-CD1 4.38Å; F281-I294 PolarHBondContact N-O 3.34Å; F281-I294 PolarHBondContact O-N 3.5Å; F281-R296 HydrophobicContact CD2-CG 3.9Å; F281-R296 HydrophobicContact CE2-CG 3.99Å
282	I	98.7	Very high	95.4	Very high	4 Å²	4	23.1 Å²	23.1	2%	0.021	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	120.3	174.5	-52.5	85.1	0	0	0	106.9	V147 L221 T222 N224 A292 V293 Q319	V147-I282 HydrophobicContact CB-CG2 4.18Å; V147-I282 HydrophobicContact CG1-CG2 3.99Å; L221-I282 CarbonylContact C-O 3.52Å; L221-I282 WeakPolarHBondContact CA-O 2.93Å; T222-I282 PolarHBondContact N-O 3.39Å; T222-I282 PolarHBondContact O-N 2.89Å; T222-I282 WeakPolarHBondContact OG1-CB 3.17Å; N224-I282 HydrophobicContact CB-CD1 4.2Å; I282-A292 WeakPolarHBondContact CA-O 3.37Å; I282-V293 HydrophobicContact CG1-CG1 4.36Å; I282-V293 HydrophobicContact CG1-CG2 4.04Å; I282-V293 HydrophobicContact CG2-CG2 4.18Å; I282-Q319 HydrophobicContact CD1-CB 4.23Å; I282-Q319 HydrophobicContact CD1-CG 4.16Å; I282-Q319 HydrophobicContact CG1-CB 3.92Å; I282-Q319 HydrophobicContact CG1-CG 4.28Å
283	V	98.9	Very high	95.5	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	135.2	-171.6	-168.8	0	0	0	0	109	F219 S220 L221 Y263 I267 L270 F281 G291 A292	F219-V283 HydrophobicContact CB-CG1 4.14Å; F219-V283 HydrophobicContact CD2-CG1 4.2Å; F219-V283 HydrophobicContact CG-CG1 4.47Å; S220-V283 VanDerWaalsContact O-CA 3.29Å; S220-V283 WeakPolarHBondContact O-CA 3.26Å; S220-V283 WeakPolarHBondContact O-CG1 3.24Å; L221-V283 HydrophobicContact CD1-CG2 3.94Å; Y263-V283 HydrophobicContact CD2-CG1 3.74Å; Y263-V283 HydrophobicContact CE2-CB 4.15Å; Y263-V283 HydrophobicContact CE2-CG1 3.78Å; I267-V283 HydrophobicContact CD1-CB 3.87Å; I267-V283 HydrophobicContact CD1-CG1 4.17Å; I267-V283 HydrophobicContact CD1-CG2 3.91Å; L270-V283 HydrophobicContact CD1-CG2 3.75Å; F281-V283 HydrophobicContact CB-CG2 4.5Å; V283-G291 CarbonylContact O-C 3.54Å; V283-G291 WeakPolarHBondContact O-CA 3.45Å; V283-A292 PolarHBondContact N-O 3.29Å; V283-A292 PolarHBondContact O-N 2.83Å
284	S	98.6	Very high	95.7	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	139.4	168.1	81.6	0	0	0	0	110.1	V147 F219 S220 K290	V147-S284 VanDerWaalsContact CG2-CB 3.42Å; F219-S284 CarbonylContact C-O 3.56Å; F219-S284 WeakPolarHBondContact CA-O 3.04Å; F219-S284 WeakPolarHBondContact CB-O 3.23Å; S220-S284 PolarHBondContact N-O 2.98Å; S220-S284 PolarHBondContact O-N 2.87Å; S220-S284 VanDerWaalsContact O-N 3.11Å; S220-S284 PolarHBondContact OG-OG 2.84Å; S284-K290 CarbonylContact C-O 3.58Å
285	G	98.4	Very high	96	Very high	0 Å²	0	11 Å²	11	0%	0	7%	0.069	C	C	.	.			trans	-96.1	-162	173.1	0	0	0	0	0	111.7	K290	G285-K290 PolarHBondContact N-O 3.01Å
286	C	97.5	Very high	96.2	Very high	28 Å²	28	11 Å²	11	19%	0.189	7%	0.069	C	C	.	.	S	Bend	trans	-97.4	-19.7	179.1	-58.3	0	0	0	0	113.8	A218 A378	A218-C286 PolarHBondContact N-SG 3.01Å; A218-C286 VanDerWaalsContact N-SG 3.43Å; C286-A378 HydrophobicContact CB-CB 4.2Å
287	D	95.7	Very high	96.6	Very high	87 Å²	87	11.7 Å²	11.7	47%	0.465	7%	0.074	S	C	.	.	S	Bend	trans	-114.6	152.5	-169.9	-44.6	-63	0	0	0	110.5	V155 K290	V155-D287 VanDerWaalsContact CG2-O 3.23Å; V155-D287 WeakPolarHBondContact CG2-O 3.27Å; D287-K290 HydrophobicContact CB-CD 4.04Å; D287-K290 HydrophobicContact CB-CG 4.39Å; D287-K290 VanDerWaalsContact O-CB 3.24Å; D287-K290 WeakPolarHBondContact O-CB 3.38Å; D287-K290 PolarHBondContact O-N 3.11Å; D287-K290 WeakPolarHBondContact OD2-CE 3.48Å; D287-K290 IonicContact OD2-NZ 2.8Å; D287-K290 PolarHBondContact OD2-NZ 2.77Å
288	G	95.9	Very high	96.7	Very high	28 Å²	28	12 Å²	12	29%	0.289	8%	0.075	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49	141.1	174	0	0	0	0	0	112.9	G153 K290	G153-G288 PolarHBondContact O-N 3.32Å; G288-K290 PolarHBondContact O-N 2.89Å
289	G	96.4	Very high	96.6	Very high	19 Å²	19	16.8 Å²	16.8	20%	0.196	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.5	-13.3	-173.8	0	0	0	0	0	114.6	E149 G291	E149-G289 PolarHBondContact OE2-N 2.87Å; G289-G291 VanDerWaalsContact C-N 3.29Å; G289-G291 PolarHBondContact O-N 2.96Å
290	K	97.8	Very high	96.6	Very high	58 Å²	58	25 Å²	25	25%	0.252	13%	0.128	S	C	.	.			trans	-84.1	73.1	177.4	-63.7	-173.5	174.6	167.5	0	111.2	Y263 S284 G285 D287 G288	Y263-K290 HydrophobicContact CD1-CB 4.05Å; Y263-K290 HydrophobicContact CD1-CD 3.92Å; Y263-K290 HydrophobicContact CD1-CG 3.96Å; Y263-K290 HydrophobicContact CD2-CB 4.13Å; Y263-K290 HydrophobicContact CE1-CB 4.04Å; Y263-K290 HydrophobicContact CE1-CG 4.11Å; Y263-K290 HydrophobicContact CE2-CB 4.13Å; Y263-K290 HydrophobicContact CG-CB 4.09Å; Y263-K290 HydrophobicContact CG-CD 4.08Å; Y263-K290 HydrophobicContact CG-CG 4.34Å; S284-K290 CarbonylContact C-O 3.58Å; G285-K290 PolarHBondContact N-O 3.01Å; D287-K290 HydrophobicContact CB-CD 4.04Å; D287-K290 HydrophobicContact CB-CG 4.39Å; D287-K290 VanDerWaalsContact O-CB 3.24Å; D287-K290 WeakPolarHBondContact O-CB 3.38Å; D287-K290 PolarHBondContact O-N 3.11Å; D287-K290 WeakPolarHBondContact OD2-CE 3.48Å; D287-K290 IonicContact OD2-NZ 2.8Å; D287-K290 PolarHBondContact OD2-NZ 2.77Å; G288-K290 PolarHBondContact O-N 2.89Å
291	G	98.5	Very high	96.6	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	139.9	163.5	0	0	0	0	0	109.5	V283 G289 S306 L307	V283-G291 CarbonylContact O-C 3.54Å; V283-G291 WeakPolarHBondContact O-CA 3.45Å; G289-G291 VanDerWaalsContact C-N 3.29Å; G289-G291 PolarHBondContact O-N 2.96Å; G291-S306 CarbonylContact O-C 3.57Å; G291-S306 WeakPolarHBondContact O-CA 3.37Å; G291-L307 PolarHBondContact O-N 2.67Å
292	A	98.6	Very high	96.6	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	154.4	179	0	0	0	0	0	113.6	Y263 I267 I282 V283 I304 R305	Y263-A292 VanDerWaalsContact OH-CB 3.25Å; Y263-A292 WeakPolarHBondContact OH-CB 3.21Å; I267-A292 HydrophobicContact CD1-CB 3.86Å; I282-A292 WeakPolarHBondContact CA-O 3.37Å; V283-A292 PolarHBondContact N-O 3.29Å; V283-A292 PolarHBondContact O-N 2.83Å; A292-I304 HydrophobicContact CB-CG2 4.25Å; A292-R305 CarbonylContact C-O 3.46Å; A292-R305 WeakPolarHBondContact CA-O 3.45Å; A292-R305 WeakPolarHBondContact CB-O 3.38Å
293	V	98.7	Very high	96.5	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	115.3	165.2	-179.9	0	0	0	0	108	F281 I282 I304 R305 L317 Q319	F281-V293 CarbonylContact O-C 3.54Å; F281-V293 WeakPolarHBondContact O-CA 3.09Å; I282-V293 HydrophobicContact CG1-CG1 4.36Å; I282-V293 HydrophobicContact CG1-CG2 4.04Å; I282-V293 HydrophobicContact CG2-CG2 4.18Å; V293-I304 WeakPolarHBondContact O-CA 3.41Å; V293-R305 PolarHBondContact N-O 2.96Å; V293-R305 PolarHBondContact O-N 3.4Å; V293-L317 HydrophobicContact CG2-CB 3.77Å; V293-L317 HydrophobicContact CG2-CD1 3.96Å; V293-L317 HydrophobicContact CG2-CG 4.48Å; V293-Q319 HydrophobicContact CG1-CB 3.93Å; V293-Q319 HydrophobicContact CG1-CG 3.78Å; V293-Q319 HydrophobicContact CG2-CB 4.07Å
294	I	98.6	Very high	96.5	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	114.7	176.1	-51.2	170	0	0	0	108.1	I267 L270 Y280 F281 R296 T301 I304	I267-I294 HydrophobicContact CD1-CD1 3.84Å; I267-I294 HydrophobicContact CD1-CG1 4.31Å; I267-I294 HydrophobicContact CG2-CD1 4.41Å; L270-I294 HydrophobicContact CB-CD1 3.75Å; Y280-I294 WeakPolarHBondContact CA-O 3.48Å; F281-I294 HydrophobicContact CB-CB 4.27Å; F281-I294 HydrophobicContact CB-CD1 4.38Å; F281-I294 PolarHBondContact N-O 3.34Å; F281-I294 PolarHBondContact O-N 3.5Å; I294-R296 HydrophobicContact CG2-CG 3.82Å; I294-T301 HydrophobicContact CG2-CG2 3.9Å; I294-I304 HydrophobicContact CG1-CG1 4.47Å; I294-I304 HydrophobicContact CG1-CG2 4.47Å; I294-I304 HydrophobicContact CG2-CG1 4.27Å
295	T	98.1	Very high	96.5	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	112.6	173.5	-56.3	0	0	0	0	109.4	Y280 L302 D303 D323 W325	Y280-T295 HydrophobicContact CD1-CG2 3.96Å; Y280-T295 HydrophobicContact CE1-CG2 3.56Å; T295-L302 HydrophobicContact CG2-CB 4.23Å; T295-L302 HydrophobicContact CG2-CD1 4.32Å; T295-L302 PolarHBondContact O-N 2.9Å; T295-D303 PolarHBondContact N-O 3.46Å; T295-D323 WeakPolarHBondContact CG2-OD1 3.37Å; T295-W325 HydrophobicContact CG2-CH2 3.79Å; T295-W325 HydrophobicContact CG2-CZ2 4.36Å
296	R	96	Very high	96.4	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	131.9	-175.4	-69.1	-62.7	-49.2	-83.7	-10.6	112	L270 V273 L275 P278 V279 F281 I294 R300 T301	L270-R296 WeakPolarHBondContact O-CD 3.26Å; L270-R296 PolarHBondContact O-NH1 2.87Å; V273-R296 PolarHBondContact O-NH1 2.89Å; V273-R296 PolarHBondContact O-NH2 3.31Å; L275-R296 HydrophobicContact CD1-CB 4.18Å; L275-R296 HydrophobicContact CD1-CG 4.32Å; P278-R296 WeakPolarHBondContact CA-O 3.35Å; P278-R296 WeakPolarHBondContact CB-O 3.26Å; V279-R296 HydrophobicContact CG1-CB 3.68Å; V279-R296 HydrophobicContact CG1-CG 4.1Å; V279-R296 PolarHBondContact N-O 2.78Å; V279-R296 WeakPolarHBondContact O-CA 3.45Å; V279-R296 WeakPolarHBondContact O-CB 3.08Å; V279-R296 PolarHBondContact O-N 3.13Å; F281-R296 HydrophobicContact CD2-CG 3.9Å; F281-R296 HydrophobicContact CE2-CG 3.99Å; I294-R296 HydrophobicContact CG2-CG 3.82Å; R296-R300 PolarHBondContact NE-O 3.22Å; R296-T301 WeakPolarHBondContact CD-OG1 3.29Å
297	S	93.1	Very high	96.4	Very high	18 Å²	18	39.5 Å²	39.5	13%	0.126	21%	0.205	C	C	.	.			trans	-82.6	171.9	149.5	68.9	0	0	0	0	109.7	E299 R300	S297-E299 PolarHBondContact O-N 2.89Å; S297-E299 PolarHBondContact OG-N 3.45Å; S297-R300 PolarHBondContact N-O 3.24Å; S297-R300 WeakPolarHBondContact OG-CG 3.11Å; S297-R300 PolarHBondContact OG-N 3.18Å; S297-R300 PolarHBondContact OG-O 2.97Å
298	R	90.3	Very high	96.3	Very high	7 Å²	7	40.3 Å²	40.3	3%	0.026	21%	0.207	C	C	.	.	S	Bend	trans	-52.7	-40.3	172.1	-68.9	-179.9	57.6	-135	-14.8	112.4	N230 E234 E244 R274 L275 M276 P278	N230-R298 WeakPolarHBondContact O-CD 3.41Å; E234-R298 VanDerWaalsContact CD-NH1 3.32Å; E234-R298 IonicContact OE1-NH1 2.69Å; E234-R298 PolarHBondContact OE1-NH1 3.43Å; E234-R298 IonicContact OE2-NH1 3.85Å; E244-R298 IonicContact OE2-CZ 3.81Å; E244-R298 IonicContact OE2-NH2 3.28Å; E244-R298 PolarHBondContact OE2-NH2 2.81Å; R274-R298 CarbonylContact C-O 3.59Å; R274-R298 WeakPolarHBondContact CA-O 3.19Å; L275-R298 PolarHBondContact N-O 2.97Å; L275-R298 WeakPolarHBondContact O-CB 3.25Å; M276-R298 VanDerWaalsContact O-CD 3.25Å; M276-R298 WeakPolarHBondContact O-CD 3.41Å; M276-R298 PolarHBondContact O-NE 2.89Å; P278-R298 HydrophobicContact CG-CG 4.27Å
299	E	90.2	Very high	96.1	Very high	101 Å²	101	42.1 Å²	42.1	47%	0.472	21%	0.214	S	C	.	.	S	Bend	trans	-99.4	-29.5	-168.6	-63.6	178.9	-178	0	0	114.4	S297	S297-E299 PolarHBondContact O-N 2.89Å; S297-E299 PolarHBondContact OG-N 3.45Å
300	R	94	Very high	95.5	Very high	173 Å²	173	46.3 Å²	46.3	65%	0.653	24%	0.241	S	C	*	.	S	Bend	trans	-150.8	164.7	-173	65.8	179	-177.5	-151.4	0.8	113.5	R296 S297 L302	R296-R300 PolarHBondContact NE-O 3.22Å; S297-R300 PolarHBondContact N-O 3.24Å; S297-R300 WeakPolarHBondContact OG-CG 3.11Å; S297-R300 PolarHBondContact OG-N 3.18Å; S297-R300 PolarHBondContact OG-O 2.97Å; R300-L302 HydrophobicContact CG-CD2 4.2Å
301	T	97.3	Very high	95	Very high	40 Å²	40	44.8 Å²	44.8	25%	0.245	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	133.3	164.6	-64.2	0	0	0	0	110	S271 I294 R296 I304	S271-T301 VanDerWaalsContact CA-OG1 3.26Å; S271-T301 WeakPolarHBondContact CA-OG1 3.14Å; S271-T301 WeakPolarHBondContact CB-OG1 3.38Å; S271-T301 PolarHBondContact O-OG1 2.91Å; I294-T301 HydrophobicContact CG2-CG2 3.9Å; R296-T301 WeakPolarHBondContact CD-OG1 3.29Å; T301-I304 HydrophobicContact CG2-CD1 4.08Å; T301-I304 HydrophobicContact CG2-CG1 3.6Å
302	L	97.1	Very high	94.3	Very high	64 Å²	64	50.7 Å²	50.7	34%	0.335	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	-35.7	176.7	-59.5	179.5	0	0	0	111.3	T295 R300 W325	T295-L302 HydrophobicContact CG2-CB 4.23Å; T295-L302 HydrophobicContact CG2-CD1 4.32Å; T295-L302 PolarHBondContact O-N 2.9Å; R300-L302 HydrophobicContact CG-CD2 4.2Å; L302-W325 HydrophobicContact CB-CH2 4.18Å
303	D	97.9	Very high	93.7	Very high	45 Å²	45	57.9 Å²	57.9	24%	0.241	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.1	148.4	-175.7	174.3	48.5	0	0	0	110.5	T295 R305 W325	T295-D303 PolarHBondContact N-O 3.46Å; D303-R305 VanDerWaalsContact OD2-CG 3.28Å; D303-R305 WeakPolarHBondContact OD2-CG 3.44Å; D303-R305 IonicContact OD2-NE 2.76Å; D303-W325 HydrophobicContact CB-CH2 3.88Å; D303-W325 HydrophobicContact CB-CZ3 3.54Å
304	I	98.1	Very high	93.4	Very high	71 Å²	71	60.6 Å²	60.6	36%	0.364	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	112.2	169.3	-55.2	-177.5	0	0	0	107.1	A292 V293 I294 T301	A292-I304 HydrophobicContact CB-CG2 4.25Å; V293-I304 WeakPolarHBondContact O-CA 3.41Å; I294-I304 HydrophobicContact CG1-CG1 4.47Å; I294-I304 HydrophobicContact CG1-CG2 4.47Å; I294-I304 HydrophobicContact CG2-CG1 4.27Å; T301-I304 HydrophobicContact CG2-CD1 4.08Å; T301-I304 HydrophobicContact CG2-CG1 3.6Å
305	R	97.8	Very high	93.4	Very high	51 Å²	51	61.1 Å²	61.1	19%	0.192	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	133.6	170.2	-62.7	178.7	-64.1	120.8	-6	108.2	A292 V293 D303 L317	A292-R305 CarbonylContact C-O 3.46Å; A292-R305 WeakPolarHBondContact CA-O 3.45Å; A292-R305 WeakPolarHBondContact CB-O 3.38Å; V293-R305 PolarHBondContact N-O 2.96Å; V293-R305 PolarHBondContact O-N 3.4Å; D303-R305 VanDerWaalsContact OD2-CG 3.28Å; D303-R305 WeakPolarHBondContact OD2-CG 3.44Å; D303-R305 IonicContact OD2-NE 2.76Å; R305-L317 HydrophobicContact CB-CD1 4.35Å; R305-L317 HydrophobicContact CB-CD2 4.11Å; R305-L317 VanDerWaalsContact O-CD1 3.25Å; R305-L317 WeakPolarHBondContact O-CD1 3.43Å
306	S	97.5	Very high	93.4	Very high	59 Å²	59	62 Å²	62	41%	0.413	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	154.4	-179.8	-59.4	0	0	0	0	111.2	G291	G291-S306 CarbonylContact O-C 3.57Å; G291-S306 WeakPolarHBondContact O-CA 3.37Å
307	L	97.5	Very high	93.5	Very high	8 Å²	8	62.6 Å²	62.6	4%	0.042	33%	0.33	C	S	.	.			trans	-63.9	152.8	162.4	-64.7	-176.5	0	0	0	109.7	V147 E149 V155 G291 N314 W315 Y316 L317	V147-L307 HydrophobicContact CG2-CD1 4.04Å; E149-L307 HydrophobicContact CB-CD1 4.12Å; V155-L307 HydrophobicContact CG1-CD1 3.92Å; G291-L307 PolarHBondContact O-N 2.67Å; L307-N314 WeakPolarHBondContact CA-O 3.43Å; L307-N314 VanDerWaalsContact CD2-O 3.29Å; L307-N314 WeakPolarHBondContact CD2-O 3.33Å; L307-W315 VanDerWaalsContact CD2-C 3.49Å; L307-Y316 VanDerWaalsContact CD2-CA 3.49Å; L307-L317 HydrophobicContact CD2-CD1 4.41Å; L307-L317 HydrophobicContact CD2-CG 3.88Å; L307-L317 HydrophobicContact CG-CG 4.49Å
308	E	93.3	Very high	93.7	Very high	105 Å²	105	61.8 Å²	61.8	49%	0.491	33%	0.325	S	S	.	.			trans	-115.6	123.4	168.4	-68.7	173.1	171.8	0	0	107.5	S310 S311 N314	E308-S310 PolarHBondContact O-N 3.44Å; E308-S311 WeakPolarHBondContact O-CB 3.4Å; E308-S311 PolarHBondContact O-N 2.83Å; E308-S311 VanDerWaalsContact O-N 3.16Å; E308-S311 PolarHBondContact OE2-OG 2.76Å; E308-N314 HydrophobicContact CB-CB 4.03Å; E308-N314 HydrophobicContact CG-CB 4.08Å; E308-N314 PolarHBondContact N-O 3.29Å; E308-N314 PolarHBondContact OE1-ND2 2.88Å; E308-N314 PolarHBondContact OE2-ND2 3.24Å
309	S	91.1	Very high	94.1	Very high	65 Å²	65	61.5 Å²	61.5	46%	0.455	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	138.3	-174.5	-169.3	0	0	0	0	111.4	E149 S311	E149-S309 WeakPolarHBondContact OE1-CA 3.42Å; E149-S309 PolarHBondContact OE1-OG 3.35Å; E149-S309 WeakPolarHBondContact OE2-CA 3.41Å; S309-S311 PolarHBondContact O-N 2.9Å; S309-S311 VanDerWaalsContact O-N 3.11Å
310	S	84.4	Confident	94.4	Very high	108 Å²	108	56.7 Å²	56.7	76%	0.755	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.2	21.7	-177.8	-50.9	0	0	0	0	114.7	E149 E308	E149-S310 PolarHBondContact OE1-N 2.99Å; E149-S310 VanDerWaalsContact OE1-N 3.08Å; E308-S310 PolarHBondContact O-N 3.44Å
311	S	86.5	Confident	94.4	Very high	26 Å²	26	48.8 Å²	48.8	18%	0.182	27%	0.272	C	S	.	.			trans	-80.3	136.9	178.2	-177.6	0	0	0	0	111.4	E308 S309 Q313 N314 W315	E308-S311 WeakPolarHBondContact O-CB 3.4Å; E308-S311 PolarHBondContact O-N 2.83Å; E308-S311 VanDerWaalsContact O-N 3.16Å; E308-S311 PolarHBondContact OE2-OG 2.76Å; S309-S311 PolarHBondContact O-N 2.9Å; S309-S311 VanDerWaalsContact O-N 3.11Å; S311-Q313 VanDerWaalsContact C-N 3.28Å; S311-Q313 PolarHBondContact O-N 2.79Å; S311-Q313 PolarHBondContact OG-N 2.82Å; S311-N314 PolarHBondContact OG-N 2.93Å; S311-W315 WeakPolarHBondContact O-CB 3.36Å
312	T	84.6	Confident	94.3	Very high	124 Å²	124	48.1 Å²	48.1	76%	0.761	27%	0.265	S	S	*	.	S	Bend	trans	-79.5	-11.4	173.4	55.6	0	0	0	0	113.2
313	Q	86.2	Confident	94.2	Very high	150 Å²	150	45.8 Å²	45.8	70%	0.701	25%	0.253	S	S	*	.	S	Bend	trans	-113.9	-34.8	-177.9	-65.3	-173.2	2.2	0	0	113.2	S311	S311-Q313 VanDerWaalsContact C-N 3.28Å; S311-Q313 PolarHBondContact O-N 2.79Å; S311-Q313 PolarHBondContact OG-N 2.82Å
314	N	93.1	Very high	94	Very high	57 Å²	57	45.6 Å²	45.6	31%	0.305	25%	0.254	S	S	.	.	S	Bend	trans	-112.7	33.5	-174.1	-65	-43.6	0	0	0	112.2	L307 E308 S311 Y316	L307-N314 WeakPolarHBondContact CA-O 3.43Å; L307-N314 VanDerWaalsContact CD2-O 3.29Å; L307-N314 WeakPolarHBondContact CD2-O 3.33Å; E308-N314 HydrophobicContact CB-CB 4.03Å; E308-N314 HydrophobicContact CG-CB 4.08Å; E308-N314 PolarHBondContact N-O 3.29Å; E308-N314 PolarHBondContact OE1-ND2 2.88Å; E308-N314 PolarHBondContact OE2-ND2 3.24Å; S311-N314 PolarHBondContact OG-N 2.93Å; N314-Y316 VanDerWaalsContact C-N 3.3Å
315	W	97.1	Very high	93.8	Very high	12 Å²	12	49.1 Å²	49.1	5%	0.045	26%	0.263	C	S	.	.	S	Bend	trans	-78.5	-10.5	175.5	60.1	-89.6	0	0	0	113.2	A148 E149 L307 S311 M342 V350	A148-W315 CarbonylContact C-O 3.49Å; A148-W315 VanDerWaalsContact CA-O 3.24Å; A148-W315 WeakPolarHBondContact CA-O 3.48Å; A148-W315 HydrophobicContact CB-CE3 4.39Å; A148-W315 HydrophobicContact CB-CZ3 4.43Å; E149-W315 PolarHBondContact N-O 3.04Å; L307-W315 VanDerWaalsContact CD2-C 3.49Å; S311-W315 WeakPolarHBondContact O-CB 3.36Å; W315-M342 HydrophobicContact CH2-CB 4.33Å; W315-M342 HydrophobicContact CH2-CE 3.81Å; W315-M342 VanDerWaalsContact CH2-O 3.27Å; W315-M342 WeakPolarHBondContact CH2-O 3.4Å; W315-M342 HydrophobicContact CZ3-CE 3.51Å; W315-V350 HydrophobicContact CE3-CG2 3.79Å; W315-V350 HydrophobicContact CH2-CG2 4.33Å; W315-V350 HydrophobicContact CZ3-CG2 3.33Å
316	Y	98.4	Very high	93.6	Very high	19 Å²	19	49.8 Å²	49.8	8%	0.075	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	154.3	170.9	77.3	-78.8	0	0	0	113.3	V147 L307 N314 L318 K339 M342 E343	V147-Y316 CarbonylContact O-C 3.58Å; V147-Y316 VanDerWaalsContact O-CA 3.27Å; V147-Y316 WeakPolarHBondContact O-CA 3.39Å; L307-Y316 VanDerWaalsContact CD2-CA 3.49Å; N314-Y316 VanDerWaalsContact C-N 3.3Å; Y316-L318 HydrophobicContact CD2-CB 4.27Å; Y316-L318 HydrophobicContact CE2-CB 4.22Å; Y316-K339 HydrophobicContact CE2-CG 4.16Å; Y316-M342 HydrophobicContact CD1-CB 4.34Å; Y316-M342 HydrophobicContact CD1-CE 4.45Å; Y316-M342 HydrophobicContact CD2-CB 3.92Å; Y316-M342 HydrophobicContact CD2-CE 4.01Å; Y316-M342 HydrophobicContact CD2-CG 3.84Å; Y316-M342 HydrophobicContact CE1-CB 4.08Å; Y316-M342 HydrophobicContact CE2-CB 3.63Å; Y316-M342 HydrophobicContact CE2-CG 3.85Å; Y316-M342 HydrophobicContact CG-CB 4.27Å; Y316-M342 HydrophobicContact CG-CE 3.8Å; Y316-M342 HydrophobicContact CG-CG 4.44Å; Y316-E343 WeakPolarHBondContact CE1-OE1 3.15Å; Y316-E343 VanDerWaalsContact CZ-OE1 3.26Å; Y316-E343 PolarHBondContact OH-OE1 3.34Å
317	L	98.2	Very high	93.4	Very high	11 Å²	11	52.9 Å²	52.9	6%	0.058	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	124.9	165.8	-56.1	170.5	0	0	0	108.7	V146 V147 V293 R305 L307	V146-L317 WeakPolarHBondContact CA-O 3.22Å; V147-L317 HydrophobicContact CG1-CB 3.78Å; V147-L317 HydrophobicContact CG1-CD1 4.06Å; V147-L317 HydrophobicContact CG1-CG 4.25Å; V147-L317 PolarHBondContact N-O 3.01Å; V147-L317 PolarHBondContact O-N 2.72Å; V293-L317 HydrophobicContact CG2-CB 3.77Å; V293-L317 HydrophobicContact CG2-CD1 3.96Å; V293-L317 HydrophobicContact CG2-CG 4.48Å; R305-L317 HydrophobicContact CB-CD1 4.35Å; R305-L317 HydrophobicContact CB-CD2 4.11Å; R305-L317 VanDerWaalsContact O-CD1 3.25Å; R305-L317 WeakPolarHBondContact O-CD1 3.43Å; L307-L317 HydrophobicContact CD2-CD1 4.41Å; L307-L317 HydrophobicContact CD2-CG 3.88Å; L307-L317 HydrophobicContact CG-CG 4.49Å
318	L	98.1	Very high	93	Very high	2 Å²	2	53.3 Å²	53.3	1%	0.01	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	126.8	170.9	-172.2	153.3	0	0	0	109.5	T144 S145 V146 Y316 T320 R335 K339 M342	T144-L318 HydrophobicContact CG2-CD1 4.43Å; T144-L318 HydrophobicContact CG2-CD2 4.25Å; T144-L318 HydrophobicContact CG2-CG 4.25Å; S145-L318 WeakPolarHBondContact O-CA 3.29Å; V146-L318 HydrophobicContact CG2-CB 4.31Å; V146-L318 HydrophobicContact CG2-CD1 3.87Å; V146-L318 HydrophobicContact CG2-CG 3.94Å; Y316-L318 HydrophobicContact CD2-CB 4.27Å; Y316-L318 HydrophobicContact CE2-CB 4.22Å; L318-T320 HydrophobicContact CD2-CG2 3.84Å; L318-R335 HydrophobicContact CD2-CB 4.22Å; L318-R335 HydrophobicContact CD2-CG 4.02Å; L318-K339 HydrophobicContact CB-CG 4.5Å; L318-M342 HydrophobicContact CD1-CG 4.27Å
319	Q	98.3	Very high	92.7	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.005	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	131.7	177.7	-179	56.1	49	0	0	109.8	S145 N224 Y280 I282 V293 Y322	S145-Q319 PolarHBondContact N-O 2.94Å; S145-Q319 PolarHBondContact O-N 3.14Å; N224-Q319 PolarHBondContact ND2-O 3.46Å; Y280-Q319 HydrophobicContact CD1-CG 4.12Å; Y280-Q319 HydrophobicContact CD2-CG 4.22Å; Y280-Q319 HydrophobicContact CG-CG 3.77Å; I282-Q319 HydrophobicContact CD1-CB 4.23Å; I282-Q319 HydrophobicContact CD1-CG 4.16Å; I282-Q319 HydrophobicContact CG1-CB 3.92Å; I282-Q319 HydrophobicContact CG1-CG 4.28Å; V293-Q319 HydrophobicContact CG1-CB 3.93Å; V293-Q319 HydrophobicContact CG1-CG 3.78Å; V293-Q319 HydrophobicContact CG2-CB 4.07Å; Q319-Y322 PolarHBondContact NE2-O 2.92Å
320	T	96.3	Very high	92.2	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.27	C	S	.	.			trans	-110	-123.6	171.2	60.5	0	0	0	0	108.6	C143 T144 N224 L318 Y322 R334 R335	C143-T320 VanDerWaalsContact O-CA 3.26Å; C143-T320 WeakPolarHBondContact O-CA 3.14Å; T144-T320 HydrophobicContact CG2-CG2 4.14Å; N224-T320 VanDerWaalsContact CB-O 3.29Å; N224-T320 WeakPolarHBondContact CB-O 3.47Å; N224-T320 PolarHBondContact ND2-O 2.88Å; L318-T320 HydrophobicContact CD2-CG2 3.84Å; T320-Y322 VanDerWaalsContact OG1-CE1 3.23Å; T320-Y322 WeakPolarHBondContact OG1-CE1 3.38Å; T320-Y322 WeakPolarHBondContact OG1-CE2 3.1Å; T320-Y322 PolarHBondContact OG1-OH 3.44Å; T320-R334 HydrophobicContact CG2-CB 4Å; T320-R335 HydrophobicContact CG2-CB 4.1Å
321	N	94.2	Very high	92.1	Very high	7 Å²	7	47.1 Å²	47.1	4%	0.037	25%	0.253	C	S	.	.	S	Bend	trans	-121.4	20.9	-175.5	-60.5	95.9	0	0	0	113.6	V142 C143 E225 F227 R334	V142-N321 WeakPolarHBondContact CA-OD1 3.39Å; V142-N321 WeakPolarHBondContact CG1-OD1 3.38Å; C143-N321 PolarHBondContact N-OD1 2.87Å; C143-N321 PolarHBondContact O-OD1 3.2Å; E225-N321 PolarHBondContact N-ND2 3.45Å; E225-N321 PolarHBondContact O-ND2 3.03Å; F227-N321 HydrophobicContact CE2-CB 4.15Å; N321-R334 PolarHBondContact OD1-NH2 3.02Å
322	Y	94	Very high	92.2	Very high	25 Å²	25	47.4 Å²	47.4	10%	0.098	25%	0.253	C	S	.	.	S	Bend	trans	-138.5	151.8	178.3	33.8	-97.3	0	0	0	111.4	Y280 Q319 T320 P328 D332 R334 R335	Y280-Y322 WeakPolarHBondContact OH-CA 3.39Å; Q319-Y322 PolarHBondContact NE2-O 2.92Å; T320-Y322 VanDerWaalsContact OG1-CE1 3.23Å; T320-Y322 WeakPolarHBondContact OG1-CE1 3.38Å; T320-Y322 WeakPolarHBondContact OG1-CE2 3.1Å; T320-Y322 PolarHBondContact OG1-OH 3.44Å; Y322-P328 HydrophobicContact CD1-CB 4.43Å; Y322-P328 HydrophobicContact CD2-CB 4.09Å; Y322-P328 HydrophobicContact CE1-CB 4.01Å; Y322-P328 HydrophobicContact CE2-CB 3.61Å; Y322-P328 HydrophobicContact CE2-CG 4.3Å; Y322-P328 HydrophobicContact CG-CB 4.46Å; Y322-D332 VanDerWaalsContact CE1-O 3.26Å; Y322-D332 WeakPolarHBondContact CE1-O 3.48Å; Y322-D332 PolarHBondContact OH-O 3.32Å; Y322-R334 PolarHBondContact OH-N 2.85Å; Y322-R334 VanDerWaalsContact OH-N 3.13Å; Y322-R335 HydrophobicContact CE2-CB 3.41Å; Y322-R335 VanDerWaalsContact CE2-CB 3.41Å; Y322-R335 HydrophobicContact CE2-CG 4.19Å; Y322-R335 VanDerWaalsContact OH-CB 3.24Å; Y322-R335 WeakPolarHBondContact OH-CB 3.43Å; Y322-R335 PolarHBondContact OH-N 3.05Å
323	D	95.7	Very high	92.5	Very high	15 Å²	15	41.8 Å²	41.8	8%	0.08	22%	0.218	C	C	.	.			trans	-63.4	148.1	-174.3	-75.1	-18.2	0	0	0	110.8	R226 Y280 T295 W325 V326 R335	R226-D323 IonicContact CZ-OD1 2.77Å; R226-D323 IonicContact CZ-OD2 3.54Å; R226-D323 IonicContact NE-OD1 2.74Å; R226-D323 PolarHBondContact NE-OD1 3.03Å; R226-D323 IonicContact NE-OD2 3.56Å; R226-D323 IonicContact NH2-OD1 3.81Å; R226-D323 IonicContact NH2-OD2 3.59Å; R226-D323 PolarHBondContact NH2-OD2 2.88Å; Y280-D323 VanDerWaalsContact CE1-OD1 3.31Å; Y280-D323 WeakPolarHBondContact CE1-OD1 3.36Å; Y280-D323 WeakPolarHBondContact OH-CA 3.37Å; Y280-D323 PolarHBondContact OH-N 3.05Å; Y280-D323 PolarHBondContact OH-OD1 3.21Å; T295-D323 WeakPolarHBondContact CG2-OD1 3.37Å; D323-W325 HydrophobicContact CB-CD2 3.95Å; D323-W325 VanDerWaalsContact CB-CE2 3.48Å; D323-W325 HydrophobicContact CB-CG 4.29Å; D323-W325 HydrophobicContact CB-CH2 4.36Å; D323-W325 HydrophobicContact CB-CZ2 3.72Å; D323-W325 VanDerWaalsContact CG-CZ2 3.41Å; D323-W325 PolarHBondContact O-N 3.42Å; D323-W325 VanDerWaalsContact OD2-CZ2 3.27Å; D323-W325 WeakPolarHBondContact OD2-CZ2 3.41Å; D323-W325 PolarHBondContact OD2-NE1 2.94Å; D323-V326 HydrophobicContact CB-CB 4.23Å; D323-V326 HydrophobicContact CB-CG2 3.84Å; D323-V326 PolarHBondContact O-N 3.38Å; D323-R335 PolarHBondContact O-NH1 2.72Å
324	P	93.7	Very high	92.9	Very high	41 Å²	41	34.7 Å²	34.7	27%	0.266	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-26.7	-178.9	23	-30.2	0	0	0	112.8
325	W	94.9	Very high	93	Very high	145 Å²	145	33.2 Å²	33.2	55%	0.549	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-0.1	175.4	52.9	83.1	0	0	0	114.6	T295 L302 D303 D323	T295-W325 HydrophobicContact CG2-CH2 3.79Å; T295-W325 HydrophobicContact CG2-CZ2 4.36Å; L302-W325 HydrophobicContact CB-CH2 4.18Å; D303-W325 HydrophobicContact CB-CH2 3.88Å; D303-W325 HydrophobicContact CB-CZ3 3.54Å; D323-W325 HydrophobicContact CB-CD2 3.95Å; D323-W325 VanDerWaalsContact CB-CE2 3.48Å; D323-W325 HydrophobicContact CB-CG 4.29Å; D323-W325 HydrophobicContact CB-CH2 4.36Å; D323-W325 HydrophobicContact CB-CZ2 3.72Å; D323-W325 VanDerWaalsContact CG-CZ2 3.41Å; D323-W325 PolarHBondContact O-N 3.42Å; D323-W325 VanDerWaalsContact OD2-CZ2 3.27Å; D323-W325 WeakPolarHBondContact OD2-CZ2 3.41Å; D323-W325 PolarHBondContact OD2-NE1 2.94Å
326	V	93.6	Very high	92.9	Very high	65 Å²	65	35 Å²	35	39%	0.394	19%	0.187	S	C	.	.	S	Bend	trans	-104.2	132	179.1	174.1	0	0	0	0	110.1	D323 R335	D323-V326 HydrophobicContact CB-CB 4.23Å; D323-V326 HydrophobicContact CB-CG2 3.84Å; D323-V326 PolarHBondContact O-N 3.38Å; V326-R335 PolarHBondContact O-NH1 2.76Å; V326-R335 PolarHBondContact O-NH2 2.57Å
327	T	91.7	Very high	92.7	Very high	125 Å²	125	34.4 Å²	34.4	77%	0.767	19%	0.186	S	C	*	.	P	Polyproline II helix	trans	-69.5	129.6	171	-57.6	0	0	0	0	109.7
328	P	90.7	Very high	92.6	Very high	17 Å²	17	33.9 Å²	33.9	11%	0.11	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-72.3	149.4	-177	30.6	-26.7	0	0	0	110.4	Y322 D333	Y322-P328 HydrophobicContact CD1-CB 4.43Å; Y322-P328 HydrophobicContact CD2-CB 4.09Å; Y322-P328 HydrophobicContact CE1-CB 4.01Å; Y322-P328 HydrophobicContact CE2-CB 3.61Å; Y322-P328 HydrophobicContact CE2-CG 4.3Å; Y322-P328 HydrophobicContact CG-CB 4.46Å; P328-D333 HydrophobicContact CB-CB 4Å; P328-D333 HydrophobicContact CG-CB 3.92Å; P328-D333 VanDerWaalsContact CG-OD1 3.28Å; P328-D333 WeakPolarHBondContact CG-OD1 3.44Å
329	S	86.4	Confident	92.5	Very high	47 Å²	47	37.9 Å²	37.9	33%	0.329	20%	0.201	S	C	.	.	P	Polyproline II helix	trans	-65.1	139.3	170.7	175.7	0	0	0	0	109.5	L331 D332 D333	S329-L331 PolarHBondContact O-N 3.02Å; S329-L331 PolarHBondContact OG-N 2.78Å; S329-D332 CarbonylContact O-C 3.55Å; S329-D332 PolarHBondContact O-N 2.95Å; S329-D333 PolarHBondContact O-N 2.77Å
330	P	80.6	Confident	92.4	Very high	22 Å²	22	42.6 Å²	42.6	14%	0.143	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-60.2	-20.2	176.2	-20.7	32.5	0	0	0	113.5	L19	L19-P330 HydrophobicContact CB-CB 4.39Å; L19-P330 HydrophobicContact CB-CG 4.42Å; L19-P330 WeakPolarHBondContact O-CB 3.36Å; L19-P330 WeakPolarHBondContact O-CG 3.37Å
331	L	81.3	Confident	92.5	Very high	78 Å²	78	42.6 Å²	42.6	41%	0.408	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-78.7	-18.5	177.8	-61.2	175.8	0	0	0	113.5	W7 L14 S329	W7-L331 HydrophobicContact CZ3-CD1 4.38Å; L14-L331 HydrophobicContact CD1-CD1 4.36Å; L14-L331 HydrophobicContact CD1-CD2 4.23Å; L14-L331 HydrophobicContact CD1-CG 4.2Å; S329-L331 PolarHBondContact O-N 3.02Å; S329-L331 PolarHBondContact OG-N 2.78Å
332	D	88.6	Confident	92.7	Very high	33 Å²	33	42.3 Å²	42.3	18%	0.176	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-146.8	71.6	171.7	175.9	19.8	0	0	0	109.2	Y322 S329 R334 V396	Y322-D332 VanDerWaalsContact CE1-O 3.26Å; Y322-D332 WeakPolarHBondContact CE1-O 3.48Å; Y322-D332 PolarHBondContact OH-O 3.32Å; S329-D332 CarbonylContact O-C 3.55Å; S329-D332 PolarHBondContact O-N 2.95Å; D332-R334 IonicContact OD1-CZ 3.45Å; D332-R334 IonicContact OD1-NE 2.72Å; D332-R334 PolarHBondContact OD1-NE 3.02Å; D332-R334 IonicContact OD1-NH2 3.66Å; D332-R334 PolarHBondContact OD1-NH2 3.45Å; D332-R334 IonicContact OD2-NH2 3.45Å; D332-R334 PolarHBondContact OD2-NH2 3.43Å; D332-V396 HydrophobicContact CB-CG1 4.14Å
333	D	91.7	Very high	92.8	Very high	5 Å²	5	46.3 Å²	46.3	3%	0.027	24%	0.243	C	C	.	.			trans	-110	80	170.3	-175.9	12.1	0	0	0	110.8	A21 P328 S329 R335 T336 P337	A21-D333 HydrophobicContact CB-CB 3.86Å; A21-D333 WeakPolarHBondContact CB-O 3.32Å; P328-D333 HydrophobicContact CB-CB 4Å; P328-D333 HydrophobicContact CG-CB 3.92Å; P328-D333 VanDerWaalsContact CG-OD1 3.28Å; P328-D333 WeakPolarHBondContact CG-OD1 3.44Å; S329-D333 PolarHBondContact O-N 2.77Å; D333-R335 PolarHBondContact OD1-N 3.25Å; D333-T336 VanDerWaalsContact CG-OG1 3.22Å; D333-T336 WeakPolarHBondContact OD1-CB 3.31Å; D333-T336 PolarHBondContact OD1-N 2.75Å; D333-T336 PolarHBondContact OD1-OG1 2.96Å; D333-T336 WeakPolarHBondContact OD2-CB 3.48Å; D333-T336 PolarHBondContact OD2-OG1 2.83Å; D333-P337 WeakPolarHBondContact O-CD 3.27Å; D333-P337 WeakPolarHBondContact O-CG 3.28Å
334	R	94.5	Very high	92.9	Very high	1 Å²	1	51.4 Å²	51.4	0%	0.004	27%	0.265	C	S	.	.			trans	-81	-24.4	168.1	-70.4	173	-68.1	126.5	18.1	113.7	C143 T144 D162 T320 N321 Y322 D332 G338 P363 V396	C143-R334 PolarHBondContact O-NH1 2.74Å; T144-R334 PolarHBondContact OG1-NH1 2.99Å; T144-R334 VanDerWaalsContact OG1-NH1 3.09Å; D162-R334 IonicContact OD2-CZ 3.69Å; D162-R334 IonicContact OD2-NH1 2.69Å; D162-R334 PolarHBondContact OD2-NH1 2.69Å; T320-R334 HydrophobicContact CG2-CB 4Å; N321-R334 PolarHBondContact OD1-NH2 3.02Å; Y322-R334 PolarHBondContact OH-N 2.85Å; Y322-R334 VanDerWaalsContact OH-N 3.13Å; D332-R334 IonicContact OD1-CZ 3.45Å; D332-R334 IonicContact OD1-NE 2.72Å; D332-R334 PolarHBondContact OD1-NE 3.02Å; D332-R334 IonicContact OD1-NH2 3.66Å; D332-R334 PolarHBondContact OD1-NH2 3.45Å; D332-R334 IonicContact OD2-NH2 3.45Å; D332-R334 PolarHBondContact OD2-NH2 3.43Å; R334-G338 WeakPolarHBondContact O-CA 3.44Å; R334-G338 PolarHBondContact O-N 3Å; R334-P363 HydrophobicContact CG-CB 4.24Å; R334-P363 HydrophobicContact CG-CG 4.08Å; R334-P363 WeakPolarHBondContact CG-O 3.31Å; R334-V396 WeakPolarHBondContact CD-OXT 3.36Å
335	R	95.1	Very high	93	Very high	27 Å²	27	50 Å²	50	10%	0.102	26%	0.255	C	S	.	.	H	α-helix	trans	-71.3	-48.1	-175.1	-179.1	177.3	68.7	-169.2	-0.1	112.2	L318 T320 Y322 D323 V326 D333 G338 K339	L318-R335 HydrophobicContact CD2-CB 4.22Å; L318-R335 HydrophobicContact CD2-CG 4.02Å; T320-R335 HydrophobicContact CG2-CB 4.1Å; Y322-R335 HydrophobicContact CE2-CB 3.41Å; Y322-R335 VanDerWaalsContact CE2-CB 3.41Å; Y322-R335 HydrophobicContact CE2-CG 4.19Å; Y322-R335 VanDerWaalsContact OH-CB 3.24Å; Y322-R335 WeakPolarHBondContact OH-CB 3.43Å; Y322-R335 PolarHBondContact OH-N 3.05Å; D323-R335 PolarHBondContact O-NH1 2.72Å; V326-R335 PolarHBondContact O-NH1 2.76Å; V326-R335 PolarHBondContact O-NH2 2.57Å; D333-R335 PolarHBondContact OD1-N 3.25Å; R335-G338 PolarHBondContact O-N 3.37Å; R335-K339 HydrophobicContact CG-CD 4.23Å; R335-K339 HydrophobicContact CG-CG 4.39Å; R335-K339 WeakPolarHBondContact O-CB 3.38Å; R335-K339 WeakPolarHBondContact O-CG 3.35Å; R335-K339 PolarHBondContact O-N 2.83Å
336	T	94.9	Very high	93.1	Very high	48 Å²	48	44.3 Å²	44.3	29%	0.294	24%	0.241	S	C	.	.	H	α-helix	trans	-60.8	-54.2	-179.2	-53.7	0	0	0	0	111.9	D333 G338 K339 L340	D333-T336 VanDerWaalsContact CG-OG1 3.22Å; D333-T336 WeakPolarHBondContact OD1-CB 3.31Å; D333-T336 PolarHBondContact OD1-N 2.75Å; D333-T336 PolarHBondContact OD1-OG1 2.96Å; D333-T336 WeakPolarHBondContact OD2-CB 3.48Å; D333-T336 PolarHBondContact OD2-OG1 2.83Å; T336-G338 VanDerWaalsContact C-N 3.31Å; T336-G338 PolarHBondContact O-N 3.36Å; T336-K339 PolarHBondContact O-N 3.42Å; T336-L340 HydrophobicContact CG2-CD1 4.35Å; T336-L340 WeakPolarHBondContact O-CG 3.14Å; T336-L340 PolarHBondContact O-N 2.89Å
337	P	94.2	Very high	93.3	Very high	8 Å²	8	42.5 Å²	42.5	5%	0.052	23%	0.231	C	C	.	.	H	α-helix	trans	-64.5	-34.9	176.1	24.3	-32.9	0	0	0	112.4	T22 D333 L340 C341 P363 I364	T22-P337 HydrophobicContact CG2-CB 4.21Å; D333-P337 WeakPolarHBondContact O-CD 3.27Å; D333-P337 WeakPolarHBondContact O-CG 3.28Å; P337-L340 PolarHBondContact O-N 2.97Å; P337-C341 WeakPolarHBondContact O-CB 3.35Å; P337-C341 PolarHBondContact O-N 3.38Å; P337-P363 VanDerWaalsContact CG-CD 3.42Å; P337-P363 HydrophobicContact CG-CG 3.77Å; P337-I364 HydrophobicContact CB-CD1 4.43Å
338	G	96.5	Very high	93.5	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-61.1	-47.7	175.4	0	0	0	0	0	112.3	R334 R335 T336 C341 M342	R334-G338 WeakPolarHBondContact O-CA 3.44Å; R334-G338 PolarHBondContact O-N 3Å; R335-G338 PolarHBondContact O-N 3.37Å; T336-G338 VanDerWaalsContact C-N 3.31Å; T336-G338 PolarHBondContact O-N 3.36Å; G338-C341 PolarHBondContact O-N 3.07Å; G338-M342 WeakPolarHBondContact O-CG 3.47Å; G338-M342 PolarHBondContact O-N 3.07Å
339	K	96.6	Very high	93.8	Very high	86 Å²	86	50.5 Å²	50.5	37%	0.374	25%	0.247	S	C	.	.	H	α-helix	trans	-61	-47.9	175.3	-76.7	-173.2	168.9	-164.9	0	111.6	Y316 L318 R335 T336 C341 M342 E343	Y316-K339 HydrophobicContact CE2-CG 4.16Å; L318-K339 HydrophobicContact CB-CG 4.5Å; R335-K339 HydrophobicContact CG-CD 4.23Å; R335-K339 HydrophobicContact CG-CG 4.39Å; R335-K339 WeakPolarHBondContact O-CB 3.38Å; R335-K339 WeakPolarHBondContact O-CG 3.35Å; R335-K339 PolarHBondContact O-N 2.83Å; T336-K339 PolarHBondContact O-N 3.42Å; K339-C341 PolarHBondContact O-N 3.02Å; K339-M342 WeakPolarHBondContact O-CB 3.32Å; K339-M342 PolarHBondContact O-N 2.92Å; K339-M342 VanDerWaalsContact O-N 3.07Å; K339-E343 WeakPolarHBondContact O-CG 3.39Å; K339-E343 PolarHBondContact O-N 2.05Å
340	L	96.2	Very high	94.3	Very high	100 Å²	100	48.3 Å²	48.3	52%	0.524	23%	0.232	S	C	.	.	H	α-helix	trans	-56.4	-37.4	176.2	-72	170	0	0	0	112.2	T22 T336 P337 K344	T22-L340 HydrophobicContact CG2-CD1 3.92Å; T336-L340 HydrophobicContact CG2-CD1 4.35Å; T336-L340 WeakPolarHBondContact O-CG 3.14Å; T336-L340 PolarHBondContact O-N 2.89Å; P337-L340 PolarHBondContact O-N 2.97Å; L340-K344 WeakPolarHBondContact O-CB 3.46Å; L340-K344 PolarHBondContact O-N 2.81Å
341	C	97.2	Very high	95.1	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-74.4	-34.1	178.5	-151.1	0	0	0	0	112.5	C32 V34 P337 G338 K339 K344 L345 V358 S361	C32-C341 VanDerWaalsContact CA-SG 3.6Å; C32-C341 HydrophobicContact CB-CB 3.83Å; C32-C341 WeakPolarHBondContact CB-SG 3.44Å; C32-C341 WeakPolarHBondContact SG-CA 3.41Å; C32-C341 WeakPolarHBondContact SG-CB 3.39Å; C32-C341 CovalentContact SG-SG 2.05Å; C32-C341 PolarHBondContact SG-SG 2.89Å; V34-C341 VanDerWaalsContact CG2-SG 3.53Å; P337-C341 WeakPolarHBondContact O-CB 3.35Å; P337-C341 PolarHBondContact O-N 3.38Å; G338-C341 PolarHBondContact O-N 3.07Å; K339-C341 PolarHBondContact O-N 3.02Å; C341-K344 PolarHBondContact O-N 2.97Å; C341-L345 WeakPolarHBondContact O-CB 3.36Å; C341-L345 PolarHBondContact O-N 3.35Å; C341-V358 HydrophobicContact CB-CG1 4.31Å; C341-V358 HydrophobicContact CB-CG2 4.46Å; C341-S361 PolarHBondContact SG-OG 3.43Å; C341-S361 VanDerWaalsContact SG-OG 3.34Å
342	M	97.9	Very high	96	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-63.9	-47.3	168.8	-71.2	-61.7	-61.8	0	0	111.7	V146 A148 W315 Y316 L318 G338 K339 K344 L345 G346 L355 V358	V146-M342 HydrophobicContact CG1-CE 3.81Å; V146-M342 HydrophobicContact CG1-SD 4.01Å; A148-M342 HydrophobicContact CB-CE 4.01Å; W315-M342 HydrophobicContact CH2-CB 4.33Å; W315-M342 HydrophobicContact CH2-CE 3.81Å; W315-M342 VanDerWaalsContact CH2-O 3.27Å; W315-M342 WeakPolarHBondContact CH2-O 3.4Å; W315-M342 HydrophobicContact CZ3-CE 3.51Å; Y316-M342 HydrophobicContact CD1-CB 4.34Å; Y316-M342 HydrophobicContact CD1-CE 4.45Å; Y316-M342 HydrophobicContact CD2-CB 3.92Å; Y316-M342 HydrophobicContact CD2-CE 4.01Å; Y316-M342 HydrophobicContact CD2-CG 3.84Å; Y316-M342 HydrophobicContact CE1-CB 4.08Å; Y316-M342 HydrophobicContact CE2-CB 3.63Å; Y316-M342 HydrophobicContact CE2-CG 3.85Å; Y316-M342 HydrophobicContact CG-CB 4.27Å; Y316-M342 HydrophobicContact CG-CE 3.8Å; Y316-M342 HydrophobicContact CG-CG 4.44Å; L318-M342 HydrophobicContact CD1-CG 4.27Å; G338-M342 WeakPolarHBondContact O-CG 3.47Å; G338-M342 PolarHBondContact O-N 3.07Å; K339-M342 WeakPolarHBondContact O-CB 3.32Å; K339-M342 PolarHBondContact O-N 2.92Å; K339-M342 VanDerWaalsContact O-N 3.07Å; M342-K344 PolarHBondContact O-N 3.21Å; M342-L345 WeakPolarHBondContact O-CA 3.29Å; M342-L345 WeakPolarHBondContact O-CB 3.33Å; M342-L345 PolarHBondContact O-N 3.04Å; M342-L345 HydrophobicContact SD-CD2 4.47Å; M342-G346 PolarHBondContact O-N 3Å; M342-L355 HydrophobicContact CE-CD2 4Å; M342-L355 HydrophobicContact SD-CD2 4.02Å; M342-V358 HydrophobicContact CG-CG1 4.11Å; M342-V358 HydrophobicContact SD-CB 4.18Å; M342-V358 HydrophobicContact SD-CG1 3.82Å; M342-V358 HydrophobicContact SD-CG2 3.8Å
343	E	97	Very high	96.4	Very high	109 Å²	109	47.5 Å²	47.5	51%	0.509	23%	0.229	S	C	.	.	H	α-helix	trans	-59.1	-38.7	176.4	-63	-53.2	153.7	0	0	111.8	Y316 K339 L345	Y316-E343 WeakPolarHBondContact CE1-OE1 3.15Å; Y316-E343 VanDerWaalsContact CZ-OE1 3.26Å; Y316-E343 PolarHBondContact OH-OE1 3.34Å; K339-E343 WeakPolarHBondContact O-CG 3.39Å; K339-E343 PolarHBondContact O-N 2.05Å; E343-L345 VanDerWaalsContact C-N 3.32Å
344	K	97.1	Very high	96.7	Very high	122 Å²	122	47.6 Å²	47.6	53%	0.53	23%	0.231	S	C	.	.	H	α-helix	trans	-67.4	-33	174.9	-168.1	-178.9	-177.5	-166.8	0	112.4	V34 L340 C341 M342	V34-K344 HydrophobicContact CB-CD 4.19Å; V34-K344 HydrophobicContact CB-CG 4.35Å; V34-K344 HydrophobicContact CG1-CB 4.3Å; V34-K344 HydrophobicContact CG1-CD 4.28Å; V34-K344 HydrophobicContact CG1-CG 3.98Å; V34-K344 WeakPolarHBondContact O-CE 3.26Å; V34-K344 PolarHBondContact O-NZ 3.21Å; L340-K344 WeakPolarHBondContact O-CB 3.46Å; L340-K344 PolarHBondContact O-N 2.81Å; C341-K344 PolarHBondContact O-N 2.97Å; M342-K344 PolarHBondContact O-N 3.21Å
345	L	97.4	Very high	96.9	Very high	13 Å²	13	47.6 Å²	47.6	7%	0.068	23%	0.231	C	C	.	.	H	α-helix	trans	-67.2	-47.8	176.4	-176.5	69.9	0	0	0	110.4	V34 C341 M342 E343 Y349 V350 V358	V34-L345 HydrophobicContact CG1-CB 4.24Å; V34-L345 HydrophobicContact CG1-CD1 4.2Å; V34-L345 HydrophobicContact CG2-CB 4.23Å; V34-L345 HydrophobicContact CG2-CD1 4.24Å; C341-L345 WeakPolarHBondContact O-CB 3.36Å; C341-L345 PolarHBondContact O-N 3.35Å; M342-L345 WeakPolarHBondContact O-CA 3.29Å; M342-L345 WeakPolarHBondContact O-CB 3.33Å; M342-L345 PolarHBondContact O-N 3.04Å; M342-L345 HydrophobicContact SD-CD2 4.47Å; E343-L345 VanDerWaalsContact C-N 3.32Å; L345-Y349 WeakPolarHBondContact O-CD2 3.34Å; L345-V350 HydrophobicContact CD2-CG2 4.4Å; L345-V358 HydrophobicContact CB-CG2 4.37Å; L345-V358 HydrophobicContact CD2-CG2 4.01Å
346	G	96.7	Very high	97.1	Very high	24 Å²	24	47 Å²	47	25%	0.247	23%	0.229	C	C	.	.			trans	71.6	156.3	-173.2	0	0	0	0	0	113.1	M342 Y348 Y349	M342-G346 PolarHBondContact O-N 3Å; G346-Y348 VanDerWaalsContact C-N 3.3Å; G346-Y348 PolarHBondContact O-N 2.8Å; G346-Y349 PolarHBondContact O-N 2.82Å
347	S	96.5	Very high	97.3	Very high	27 Å²	27	45.2 Å²	45.2	19%	0.189	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-61.1	-34.6	-175.8	52.9	0	0	0	0	113.5	N150 D151 Y349 V350	N150-S347 WeakPolarHBondContact CA-O 3.07Å; N150-S347 WeakPolarHBondContact CB-O 3.38Å; D151-S347 WeakPolarHBondContact OD1-CB 3.37Å; D151-S347 PolarHBondContact OD1-OG 2.88Å; S347-Y349 VanDerWaalsContact C-N 3.26Å; S347-Y349 PolarHBondContact O-N 2.72Å; S347-V350 WeakPolarHBondContact O-CB 3.43Å; S347-V350 WeakPolarHBondContact O-CG2 3.38Å; S347-V350 PolarHBondContact O-N 2.96Å; S347-V350 VanDerWaalsContact O-N 3.15Å
348	Y	95.8	Very high	97.5	Very high	164 Å²	164	44.9 Å²	44.9	64%	0.643	22%	0.216	S	C	*	.	G	3₁₀ helix	trans	-57.5	-36.5	178.7	-174.6	-97.1	0	0	0	113.6	D151 G346	D151-Y348 WeakPolarHBondContact OD2-CB 3.46Å; G346-Y348 VanDerWaalsContact C-N 3.3Å; G346-Y348 PolarHBondContact O-N 2.8Å
349	Y	96.9	Very high	97.6	Very high	147 Å²	147	45 Å²	45	58%	0.576	22%	0.216	S	C	*	.	G	3₁₀ helix	trans	-97.3	18	-177.6	-63.1	-72.8	0	0	0	113	L345 G346 S347 D351	L345-Y349 WeakPolarHBondContact O-CD2 3.34Å; G346-Y349 PolarHBondContact O-N 2.82Å; S347-Y349 VanDerWaalsContact C-N 3.26Å; S347-Y349 PolarHBondContact O-N 2.72Å; Y349-D351 PolarHBondContact O-N 2.98Å; Y349-D351 VanDerWaalsContact O-N 3.09Å
350	V	97.9	Very high	97.6	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.006	20%	0.202	C	C	.	.			trans	-75.6	98.8	172.8	175.1	0	0	0	0	109.6	A148 N150 Y156 W315 L345 S347	A148-V350 HydrophobicContact CB-CG1 3.6Å; A148-V350 HydrophobicContact CB-CG2 4.09Å; N150-V350 HydrophobicContact CB-CB 3.84Å; N150-V350 HydrophobicContact CB-CG1 4.31Å; N150-V350 WeakPolarHBondContact CB-O 3.29Å; Y156-V350 HydrophobicContact CD2-CG1 3.94Å; W315-V350 HydrophobicContact CE3-CG2 3.79Å; W315-V350 HydrophobicContact CH2-CG2 4.33Å; W315-V350 HydrophobicContact CZ3-CG2 3.33Å; L345-V350 HydrophobicContact CD2-CG2 4.4Å; S347-V350 WeakPolarHBondContact O-CB 3.43Å; S347-V350 WeakPolarHBondContact O-CG2 3.38Å; S347-V350 PolarHBondContact O-N 2.96Å; S347-V350 VanDerWaalsContact O-N 3.15Å
351	D	97.9	Very high	97.6	Very high	69 Å²	69	36.6 Å²	36.6	37%	0.369	18%	0.177	S	C	.	.	S	Bend	trans	-149.8	-170.3	168.4	65.5	18.5	0	0	0	109.5	Y349 A353 G354 L355	Y349-D351 PolarHBondContact O-N 2.98Å; Y349-D351 VanDerWaalsContact O-N 3.09Å; D351-A353 VanDerWaalsContact C-N 3.35Å; D351-A353 PolarHBondContact O-N 2.91Å; D351-A353 WeakPolarHBondContact OD1-CA 3.45Å; D351-A353 WeakPolarHBondContact OD1-CB 3.39Å; D351-A353 PolarHBondContact OD1-N 2.66Å; D351-G354 PolarHBondContact O-N 2.74Å; D351-G354 PolarHBondContact OD1-N 3.11Å; D351-L355 WeakPolarHBondContact O-CB 3.15Å; D351-L355 VanDerWaalsContact O-CG 3.32Å; D351-L355 WeakPolarHBondContact O-CG 3.32Å; D351-L355 PolarHBondContact O-N 2.77Å
352	F	98.5	Very high	97.5	Very high	23 Å²	23	39.1 Å²	39.1	10%	0.101	19%	0.188	C	C	.	.	H	α-helix	trans	-61.6	-38.8	177.3	-79.1	6.6	0	0	0	113.4	Y40 Y156 Y356 L374 T381 E383	Y40-F352 HydrophobicContact CE1-CB 4.45Å; Y40-F352 HydrophobicContact CE2-CB 4.28Å; Y156-F352 AromaticContact CD1-CD1 3.78Å; Y156-F352 HydrophobicContact CD1-CD1 3.78Å; Y156-F352 AromaticContact CD1-CE1 3.69Å; Y156-F352 HydrophobicContact CD1-CE1 3.69Å; Y156-F352 HydrophobicContact CE1-CD1 4.15Å; Y156-F352 HydrophobicContact CE1-CE1 4.13Å; F352-Y356 WeakPolarHBondContact O-CB 3.32Å; F352-Y356 PolarHBondContact O-N 2.86Å; F352-L374 HydrophobicContact CB-CD1 3.81Å; F352-L374 HydrophobicContact CD1-CB 3.79Å; F352-L374 HydrophobicContact CD2-CB 4.16Å; F352-L374 HydrophobicContact CD2-CD1 4.25Å; F352-L374 HydrophobicContact CE1-CB 3.83Å; F352-L374 HydrophobicContact CE2-CB 4.22Å; F352-L374 HydrophobicContact CG-CB 3.96Å; F352-L374 HydrophobicContact CG-CD1 3.96Å; F352-L374 HydrophobicContact CZ-CB 4.06Å; F352-T381 HydrophobicContact CE2-CG2 3.56Å; F352-T381 HydrophobicContact CZ-CG2 3.78Å; F352-E383 HydrophobicContact CD2-CG 4.36Å; F352-E383 WeakPolarHBondContact CD2-OE1 3.35Å; F352-E383 HydrophobicContact CE2-CG 3.94Å
353	A	98.3	Very high	97.4	Very high	23 Å²	23	39.1 Å²	39.1	19%	0.19	19%	0.188	C	C	.	.	H	α-helix	trans	-68.8	-44.3	-180	0	0	0	0	0	111.2	Y40 D351 T357	Y40-A353 HydrophobicContact CD1-CB 3.75Å; Y40-A353 HydrophobicContact CG-CB 4Å; D351-A353 VanDerWaalsContact C-N 3.35Å; D351-A353 PolarHBondContact O-N 2.91Å; D351-A353 WeakPolarHBondContact OD1-CA 3.45Å; D351-A353 WeakPolarHBondContact OD1-CB 3.39Å; D351-A353 PolarHBondContact OD1-N 2.66Å; A353-T357 WeakPolarHBondContact O-CB 3.22Å; A353-T357 PolarHBondContact O-N 2.75Å; A353-T357 PolarHBondContact O-OG1 2.8Å
354	G	98.3	Very high	97.3	Very high	7 Å²	7	34 Å²	34	7%	0.072	16%	0.164	C	C	.	.	H	α-helix	trans	-61.7	-52.2	176.5	0	0	0	0	0	112.2	D351 Y356 T357 V358	D351-G354 PolarHBondContact O-N 2.74Å; D351-G354 PolarHBondContact OD1-N 3.11Å; G354-Y356 PolarHBondContact O-N 3.46Å; G354-T357 WeakPolarHBondContact O-CB 3.29Å; G354-T357 PolarHBondContact O-N 2.96Å; G354-T357 VanDerWaalsContact O-N 3.14Å; G354-V358 PolarHBondContact O-N 3.49Å
355	L	98.7	Very high	97.3	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.005	14%	0.142	C	C	.	.	H	α-helix	trans	-66	-38.1	-179.5	-68.1	178	0	0	0	112.5	V146 A148 A158 M342 D351 T357 V358 L359 L374	V146-L355 HydrophobicContact CB-CD2 4.48Å; V146-L355 HydrophobicContact CG1-CD2 3.89Å; A148-L355 HydrophobicContact CB-CD2 4.46Å; A158-L355 HydrophobicContact CB-CB 3.75Å; A158-L355 HydrophobicContact CB-CD1 3.85Å; A158-L355 HydrophobicContact CB-CG 4.31Å; M342-L355 HydrophobicContact CE-CD2 4Å; M342-L355 HydrophobicContact SD-CD2 4.02Å; D351-L355 WeakPolarHBondContact O-CB 3.15Å; D351-L355 VanDerWaalsContact O-CG 3.32Å; D351-L355 WeakPolarHBondContact O-CG 3.32Å; D351-L355 PolarHBondContact O-N 2.77Å; L355-T357 VanDerWaalsContact C-N 3.29Å; L355-T357 PolarHBondContact O-N 2.76Å; L355-V358 PolarHBondContact O-N 3.09Å; L355-L359 WeakPolarHBondContact O-CB 3.38Å; L355-L359 WeakPolarHBondContact O-CG 3.49Å; L355-L359 PolarHBondContact O-N 3.19Å; L355-L374 HydrophobicContact CB-CD2 4.32Å
356	Y	98.7	Very high	97.2	Very high	14 Å²	14	28.2 Å²	28.2	6%	0.055	14%	0.139	C	C	.	.	H	α-helix	trans	-62.9	-37.7	173.5	-172.7	-92.2	0	0	0	111.8	I39 Y40 P42 F352 G354 L359 S360 T372 L374 Y385 Q387	I39-Y356 HydrophobicContact CD1-CD1 3.88Å; I39-Y356 HydrophobicContact CD1-CE1 3.84Å; I39-Y356 HydrophobicContact CG1-CD1 3.93Å; I39-Y356 HydrophobicContact CG1-CE1 4.09Å; Y40-Y356 HydrophobicContact CD2-CD1 4.36Å; Y40-Y356 HydrophobicContact CD2-CG 4.06Å; P42-Y356 HydrophobicContact CG-CD1 4.36Å; P42-Y356 HydrophobicContact CG-CD2 4.33Å; P42-Y356 HydrophobicContact CG-CE1 3.61Å; P42-Y356 HydrophobicContact CG-CE2 3.58Å; P42-Y356 WeakPolarHBondContact CG-OH 3.37Å; F352-Y356 WeakPolarHBondContact O-CB 3.32Å; F352-Y356 PolarHBondContact O-N 2.86Å; G354-Y356 PolarHBondContact O-N 3.46Å; Y356-L359 PolarHBondContact O-N 2.76Å; Y356-S360 VanDerWaalsContact CE1-OG 3.3Å; Y356-S360 WeakPolarHBondContact CE1-OG 3.29Å; Y356-S360 VanDerWaalsContact O-CB 3.29Å; Y356-S360 WeakPolarHBondContact O-CB 3.17Å; Y356-S360 PolarHBondContact O-N 3.18Å; Y356-S360 PolarHBondContact O-OG 3.24Å; Y356-T372 HydrophobicContact CD2-CG2 3.78Å; Y356-T372 HydrophobicContact CE2-CG2 4.06Å; Y356-L374 HydrophobicContact CD2-CD1 4.21Å; Y356-Y385 HydrophobicContact CD2-CD2 4.24Å; Y356-Y385 AromaticContact CE2-CD2 3.95Å; Y356-Y385 HydrophobicContact CE2-CD2 3.95Å; Y356-Y385 HydrophobicContact CE2-CG 4.26Å; Y356-Q387 PolarHBondContact OH-NE2 2.95Å
357	T	98.4	Very high	97.1	Very high	12 Å²	12	27.3 Å²	27.3	7%	0.074	13%	0.128	C	C	.	.	H	α-helix	trans	-65.4	-42.7	176.3	-58.4	0	0	0	0	112	L33 V34 A353 G354 L355 S360 S361	L33-T357 HydrophobicContact CB-CG2 3.81Å; V34-T357 HydrophobicContact CG2-CG2 3.98Å; A353-T357 WeakPolarHBondContact O-CB 3.22Å; A353-T357 PolarHBondContact O-N 2.75Å; A353-T357 PolarHBondContact O-OG1 2.8Å; G354-T357 WeakPolarHBondContact O-CB 3.29Å; G354-T357 PolarHBondContact O-N 2.96Å; G354-T357 VanDerWaalsContact O-N 3.14Å; L355-T357 VanDerWaalsContact C-N 3.29Å; L355-T357 PolarHBondContact O-N 2.76Å; T357-S360 PolarHBondContact O-N 3.27Å; T357-S361 PolarHBondContact O-N 3.12Å; T357-S361 PolarHBondContact O-OG 3.36Å
358	V	98.4	Very high	97	Very high	1 Å²	1	26 Å²	26	1%	0.006	12%	0.119	C	C	.	.	H	α-helix	trans	-61.4	-47.9	173.8	171.7	0	0	0	0	110.7	V34 C341 M342 L345 G354 L355 S360 S361	V34-V358 HydrophobicContact CG2-CG2 3.88Å; C341-V358 HydrophobicContact CB-CG1 4.31Å; C341-V358 HydrophobicContact CB-CG2 4.46Å; M342-V358 HydrophobicContact CG-CG1 4.11Å; M342-V358 HydrophobicContact SD-CB 4.18Å; M342-V358 HydrophobicContact SD-CG1 3.82Å; M342-V358 HydrophobicContact SD-CG2 3.8Å; L345-V358 HydrophobicContact CB-CG2 4.37Å; L345-V358 HydrophobicContact CD2-CG2 4.01Å; G354-V358 PolarHBondContact O-N 3.49Å; L355-V358 PolarHBondContact O-N 3.09Å; V358-S360 VanDerWaalsContact C-N 3.27Å; V358-S360 PolarHBondContact O-N 3.42Å; V358-S361 WeakPolarHBondContact O-CB 3.3Å; V358-S361 PolarHBondContact O-N 3Å; V358-S361 VanDerWaalsContact O-N 3.13Å; V358-S361 PolarHBondContact O-OG 3.16Å
359	L	98.4	Very high	97	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.005	9%	0.089	C	C	.	.	H	α-helix	trans	-70.7	-21.1	-178.7	-70.3	-179.9	0	0	0	114	T144 A158 N160 L355 Y356 S361 I364 L365 T372	T144-L359 HydrophobicContact CG2-CD2 4.05Å; A158-L359 HydrophobicContact CB-CD1 3.62Å; N160-L359 PolarHBondContact ND2-O 3.18Å; L355-L359 WeakPolarHBondContact O-CB 3.38Å; L355-L359 WeakPolarHBondContact O-CG 3.49Å; L355-L359 PolarHBondContact O-N 3.19Å; Y356-L359 PolarHBondContact O-N 2.76Å; L359-S361 VanDerWaalsContact C-N 3.31Å; L359-I364 HydrophobicContact CD2-CG2 3.67Å; L359-L365 WeakPolarHBondContact O-CB 3.42Å; L359-L365 PolarHBondContact O-N 3Å; L359-T372 HydrophobicContact CB-CG2 4.23Å; L359-T372 HydrophobicContact CD1-CG2 3.68Å
360	S	97.8	Very high	97	Very high	10 Å²	10	11.2 Å²	11.2	7%	0.07	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-5	173.8	-58.9	0	0	0	0	113.2	L33 I39 Y356 T357 V358	L33-S360 WeakPolarHBondContact CD1-O 3Å; I39-S360 WeakPolarHBondContact CD1-OG 3.5Å; Y356-S360 VanDerWaalsContact CE1-OG 3.3Å; Y356-S360 WeakPolarHBondContact CE1-OG 3.29Å; Y356-S360 VanDerWaalsContact O-CB 3.29Å; Y356-S360 WeakPolarHBondContact O-CB 3.17Å; Y356-S360 PolarHBondContact O-N 3.18Å; Y356-S360 PolarHBondContact O-OG 3.24Å; T357-S360 PolarHBondContact O-N 3.27Å; V358-S360 VanDerWaalsContact C-N 3.27Å; V358-S360 PolarHBondContact O-N 3.42Å
361	S	96.7	Very high	97	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.061	C	C	.	.	S	Bend	trans	-77.1	142.6	177.6	-64	0	0	0	0	111.1	K31 L33 C341 T357 V358 L359 I364 L365	K31-S361 CarbonylContact O-C 3.59Å; K31-S361 WeakPolarHBondContact O-CA 3.25Å; K31-S361 VanDerWaalsContact O-CB 3.25Å; K31-S361 WeakPolarHBondContact O-CB 3.31Å; L33-S361 PolarHBondContact N-OG 3.3Å; C341-S361 PolarHBondContact SG-OG 3.43Å; C341-S361 VanDerWaalsContact SG-OG 3.34Å; T357-S361 PolarHBondContact O-N 3.12Å; T357-S361 PolarHBondContact O-OG 3.36Å; V358-S361 WeakPolarHBondContact O-CB 3.3Å; V358-S361 PolarHBondContact O-N 3Å; V358-S361 VanDerWaalsContact O-N 3.13Å; V358-S361 PolarHBondContact O-OG 3.16Å; L359-S361 VanDerWaalsContact C-N 3.31Å; S361-I364 CarbonylContact O-C 3.55Å; S361-I364 WeakPolarHBondContact O-CA 3.42Å; S361-I364 VanDerWaalsContact O-CB 3.26Å; S361-I364 WeakPolarHBondContact O-CB 3.48Å; S361-I364 WeakPolarHBondContact O-CD1 3.44Å; S361-I364 PolarHBondContact O-N 3.31Å; S361-L365 PolarHBondContact O-N 3.43Å
362	K	94.9	Very high	97	Very high	53 Å²	53	7.9 Å²	7.9	23%	0.23	4%	0.043	C	C	.	.	B	Isolated β-bridge	trans	-85.5	138.8	-180	-63.6	-179.2	-176.8	-174	0	110	G30 K31 C389 P390 P392	G30-K362 CarbonylContact C-O 3.47Å; G30-K362 WeakPolarHBondContact CA-O 3.4Å; K31-K362 PolarHBondContact N-O 3.03Å; K31-K362 PolarHBondContact O-N 2.84Å; K362-C389 WeakPolarHBondContact CE-SG 3.41Å; K362-P390 PolarHBondContact NZ-O 3.41Å; K362-P392 PolarHBondContact NZ-O 3.36Å
363	P	94.2	Very high	97	Very high	1 Å²	1	6.8 Å²	6.8	1%	0.006	4%	0.039	C	C	.	.	T	Hydrogen-bonded Turn	cis	-90.7	8.5	4.8	36.6	-35.7	0	0	0	115.1	A21 R334 P337 L365 N366 W394	A21-P363 HydrophobicContact CB-CG 4.44Å; R334-P363 HydrophobicContact CG-CB 4.24Å; R334-P363 HydrophobicContact CG-CG 4.08Å; R334-P363 WeakPolarHBondContact CG-O 3.31Å; P337-P363 VanDerWaalsContact CG-CD 3.42Å; P337-P363 HydrophobicContact CG-CG 3.77Å; P363-L365 CarbonylContact C-O 3.44Å; P363-L365 CarbonylContact O-C 3.34Å; P363-L365 PolarHBondContact O-N 2.69Å; P363-N366 PolarHBondContact O-ND2 2.92Å; P363-W394 HydrophobicContact CB-CB 4.19Å; P363-W394 HydrophobicContact CB-CD2 3.81Å; P363-W394 HydrophobicContact CB-CE3 4.45Å; P363-W394 HydrophobicContact CB-CG 3.69Å; P363-W394 HydrophobicContact CB-CZ2 4.47Å
364	I	96.2	Very high	97.1	Very high	1 Å²	1	5.7 Å²	5.7	1%	0.005	3%	0.03	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-40.7	178	-52.2	97.3	0	0	0	110.7	T144 N160 P337 L359 S361 N366	T144-I364 HydrophobicContact CG2-CG2 3.71Å; N160-I364 PolarHBondContact ND2-O 2.81Å; P337-I364 HydrophobicContact CB-CD1 4.43Å; L359-I364 HydrophobicContact CD2-CG2 3.67Å; S361-I364 CarbonylContact O-C 3.55Å; S361-I364 WeakPolarHBondContact O-CA 3.42Å; S361-I364 VanDerWaalsContact O-CB 3.26Å; S361-I364 WeakPolarHBondContact O-CB 3.48Å; S361-I364 WeakPolarHBondContact O-CD1 3.44Å; S361-I364 PolarHBondContact O-N 3.31Å; I364-N366 PolarHBondContact O-ND2 3.4Å
365	L	96.8	Very high	97.1	Very high	14 Å²	14	5.3 Å²	5.3	7%	0.073	3%	0.026	C	C	.	.	S	Bend	trans	-86	124.9	158.1	-178.4	67.9	0	0	0	109.5	L359 S361 P363 T369 Q387 C389	L359-L365 WeakPolarHBondContact O-CB 3.42Å; L359-L365 PolarHBondContact O-N 3Å; S361-L365 PolarHBondContact O-N 3.43Å; P363-L365 CarbonylContact C-O 3.44Å; P363-L365 CarbonylContact O-C 3.34Å; P363-L365 PolarHBondContact O-N 2.69Å; L365-T369 HydrophobicContact CD1-CG2 3.86Å; L365-Q387 HydrophobicContact CD1-CB 3.96Å; L365-Q387 HydrophobicContact CD1-CG 4.21Å; L365-C389 HydrophobicContact CG-CB 4.12Å
366	N	95	Very high	97.1	Very high	0 Å²	0	7 Å²	7	0%	0	3%	0.032	C	C	.	.			trans	-142.6	-179.9	-177.7	59.3	67.9	0	0	0	110.9	D162 P363 I364 L368 T369 C389 W394 V396	D162-N366 PolarHBondContact OD1-ND2 3Å; D162-N366 PolarHBondContact OD2-ND2 3.31Å; P363-N366 PolarHBondContact O-ND2 2.92Å; I364-N366 PolarHBondContact O-ND2 3.4Å; N366-L368 PolarHBondContact O-N 2.81Å; N366-L368 VanDerWaalsContact OD1-CA 3.31Å; N366-L368 WeakPolarHBondContact OD1-CA 3.46Å; N366-L368 VanDerWaalsContact OD1-CB 3.24Å; N366-L368 WeakPolarHBondContact OD1-CB 3.46Å; N366-L368 PolarHBondContact OD1-N 2.85Å; N366-T369 PolarHBondContact N-OG1 3.4Å; N366-T369 PolarHBondContact ND2-OG1 3.3Å; N366-T369 WeakPolarHBondContact O-CB 3.43Å; N366-T369 PolarHBondContact O-N 2.66Å; N366-T369 PolarHBondContact O-OG1 3.14Å; N366-T369 PolarHBondContact OD1-N 3.46Å; N366-T369 PolarHBondContact OD1-OG1 2.85Å; N366-C389 VanDerWaalsContact O-CB 3.3Å; N366-C389 WeakPolarHBondContact O-CB 3.29Å; N366-W394 HydrophobicContact CB-CB 4.27Å; N366-V396 VanDerWaalsContact CB-C 3.4Å; N366-V396 VanDerWaalsContact CB-OXT 3.23Å; N366-V396 WeakPolarHBondContact CB-OXT 3.28Å; N366-V396 PolarHBondContact ND2-OXT 2.77Å
367	K	94.7	Very high	97.1	Very high	4 Å²	4	6.3 Å²	6.3	2%	0.017	3%	0.03	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-25.1	-179.6	-73.3	-75.5	-174.8	163.6	0	113.9	H174 Q175 R183 C389 D391 C393 W394	H174-K367 WeakPolarHBondContact O-CD 3.24Å; H174-K367 WeakPolarHBondContact O-CE 3.31Å; H174-K367 PolarHBondContact O-NZ 2.97Å; Q175-K367 VanDerWaalsContact NE2-NZ 3.13Å; R183-K367 PolarHBondContact NH2-O 2.56Å; K367-C389 WeakPolarHBondContact CD-O 3.25Å; K367-C389 WeakPolarHBondContact CE-O 3.43Å; K367-C389 PolarHBondContact NZ-O 2.85Å; K367-D391 WeakPolarHBondContact CE-OD1 3.41Å; K367-D391 IonicContact NZ-OD1 2.66Å; K367-D391 PolarHBondContact NZ-OD1 3.5Å; K367-C393 HydrophobicContact CD-CB 4.46Å; K367-C393 HydrophobicContact CG-CB 4.23Å; K367-W394 WeakPolarHBondContact CB-O 3.26Å; K367-W394 WeakPolarHBondContact CG-O 3.4Å; K367-W394 PolarHBondContact N-O 3.16Å
368	L	94.1	Very high	97.1	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	4%	0.038	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-16.5	176.5	-68.6	169.1	0	0	0	113.1	D162 F163 G164 F165 W176 T179 N366 V370 Y395 V396	D162-L368 VanDerWaalsContact CA-O 3.3Å; D162-L368 WeakPolarHBondContact CA-O 3.49Å; D162-L368 HydrophobicContact CB-CB 3.72Å; F163-L368 PolarHBondContact N-O 3.18Å; G164-L368 VanDerWaalsContact C-CD2 3.47Å; F165-L368 HydrophobicContact CB-CD1 3.76Å; F165-L368 HydrophobicContact CB-CD2 4.18Å; F165-L368 HydrophobicContact CD2-CD1 3.88Å; F165-L368 HydrophobicContact CG-CD1 4.17Å; F165-L368 VanDerWaalsContact N-CD2 3.32Å; W176-L368 HydrophobicContact CB-CD2 4.22Å; W176-L368 HydrophobicContact CD2-CD2 3.97Å; W176-L368 HydrophobicContact CG-CD2 3.57Å; W176-L368 HydrophobicContact CG-CG 4.45Å; T179-L368 WeakPolarHBondContact CG2-O 3.43Å; N366-L368 PolarHBondContact O-N 2.81Å; N366-L368 VanDerWaalsContact OD1-CA 3.31Å; N366-L368 WeakPolarHBondContact OD1-CA 3.46Å; N366-L368 VanDerWaalsContact OD1-CB 3.24Å; N366-L368 WeakPolarHBondContact OD1-CB 3.46Å; N366-L368 PolarHBondContact OD1-N 2.85Å; L368-V370 WeakPolarHBondContact O-CG2 3.4Å; L368-V370 PolarHBondContact O-N 3.47Å; L368-V370 VanDerWaalsContact O-N 3.07Å; L368-Y395 WeakPolarHBondContact CG-O 3.12Å; L368-V396 HydrophobicContact CD1-CB 4.27Å; L368-V396 HydrophobicContact CD1-CG1 4.17Å; L368-V396 HydrophobicContact CD1-CG2 3.9Å
369	T	96.5	Very high	97.1	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	115.1	-178.5	-49.4	0	0	0	0	110.5	N160 D162 R183 L365 N366 Q387	N160-T369 HydrophobicContact CB-CG2 3.91Å; D162-T369 WeakPolarHBondContact OD1-CA 3.13Å; D162-T369 VanDerWaalsContact OD1-CB 3.27Å; D162-T369 WeakPolarHBondContact OD1-CB 3.26Å; D162-T369 PolarHBondContact OD1-N 2.79Å; D162-T369 PolarHBondContact OD1-OG1 2.89Å; R183-T369 PolarHBondContact NE-O 2.8Å; R183-T369 PolarHBondContact NH2-O 3.32Å; L365-T369 HydrophobicContact CD1-CG2 3.86Å; N366-T369 PolarHBondContact N-OG1 3.4Å; N366-T369 PolarHBondContact ND2-OG1 3.3Å; N366-T369 WeakPolarHBondContact O-CB 3.43Å; N366-T369 PolarHBondContact O-N 2.66Å; N366-T369 PolarHBondContact O-OG1 3.14Å; N366-T369 PolarHBondContact OD1-N 3.46Å; N366-T369 PolarHBondContact OD1-OG1 2.85Å; T369-Q387 HydrophobicContact CG2-CB 3.69Å; T369-Q387 HydrophobicContact CG2-CG 4.01Å
370	V	96.5	Very high	97.1	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	-47	179.5	-178.3	0	0	0	0	110.3	L161 F163 T179 L182 R183 V186 F204 L368 Q387	L161-V370 HydrophobicContact CD2-CB 4.19Å; L161-V370 HydrophobicContact CD2-CG2 4.29Å; L161-V370 PolarHBondContact O-N 3.45Å; F163-V370 HydrophobicContact CB-CG2 4.02Å; T179-V370 HydrophobicContact CG2-CG2 3.67Å; L182-V370 HydrophobicContact CB-CG1 4.3Å; L182-V370 HydrophobicContact CB-CG2 4.38Å; R183-V370 HydrophobicContact CB-CG1 4.48Å; R183-V370 HydrophobicContact CG-CB 4.49Å; R183-V370 HydrophobicContact CG-CG1 3.84Å; V186-V370 HydrophobicContact CG2-CG1 3.57Å; F204-V370 HydrophobicContact CE1-CG1 3.78Å; F204-V370 HydrophobicContact CZ-CG1 4.19Å; L368-V370 WeakPolarHBondContact O-CG2 3.4Å; L368-V370 PolarHBondContact O-N 3.47Å; L368-V370 VanDerWaalsContact O-N 3.07Å; V370-Q387 PolarHBondContact O-N 3.15Å
371	Y	98	Very high	97.1	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	156.2	178.7	67.4	-103.9	0	0	0	112.6	N160 L161 V186 A202 F204 T212 S373 T384 Y385	N160-Y371 WeakPolarHBondContact CA-O 3.41Å; L161-Y371 HydrophobicContact CB-CD1 4.05Å; L161-Y371 HydrophobicContact CB-CD2 4.13Å; L161-Y371 HydrophobicContact CB-CE1 3.64Å; L161-Y371 HydrophobicContact CB-CE2 3.72Å; L161-Y371 HydrophobicContact CB-CG 4.29Å; L161-Y371 VanDerWaalsContact CB-CZ 3.46Å; L161-Y371 HydrophobicContact CD1-CE1 3.71Å; L161-Y371 WeakPolarHBondContact CD1-OH 3.31Å; L161-Y371 HydrophobicContact CD2-CD1 4.29Å; L161-Y371 HydrophobicContact CD2-CE1 3.83Å; L161-Y371 HydrophobicContact CG-CE1 3.91Å; L161-Y371 PolarHBondContact N-O 3.31Å; V186-Y371 HydrophobicContact CG1-CD1 3.8Å; V186-Y371 HydrophobicContact CG1-CE1 4.49Å; V186-Y371 HydrophobicContact CG1-CG 4.12Å; V186-Y371 HydrophobicContact CG2-CD1 4.09Å; A202-Y371 HydrophobicContact CB-CE2 4.02Å; F204-Y371 HydrophobicContact CE1-CD1 4.43Å; F204-Y371 HydrophobicContact CE1-CE1 4.32Å; F204-Y371 HydrophobicContact CZ-CE1 4.11Å; T212-Y371 PolarHBondContact OG1-OH 3.11Å; Y371-S373 WeakPolarHBondContact CD2-OG 3.45Å; Y371-S373 VanDerWaalsContact CE2-OG 3.31Å; Y371-S373 WeakPolarHBondContact CE2-OG 3.47Å; Y371-T384 HydrophobicContact CD2-CG2 3.7Å; Y371-T384 HydrophobicContact CE2-CG2 4.41Å; Y371-T384 HydrophobicContact CG-CG2 3.95Å; Y371-Y385 CarbonylContact C-O 3.51Å; Y371-Y385 WeakPolarHBondContact CA-O 3.29Å; Y371-Y385 WeakPolarHBondContact CB-O 3.46Å
372	T	98.8	Very high	97.2	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	132.3	165.3	-59.3	0	0	0	0	109.2	R159 N160 Y356 L359 L374 T384 Y385 Q387	R159-T372 CarbonylContact O-C 3.51Å; R159-T372 VanDerWaalsContact O-CA 3.23Å; R159-T372 WeakPolarHBondContact O-CA 3.15Å; N160-T372 WeakPolarHBondContact OD1-CB 3.27Å; N160-T372 PolarHBondContact OD1-OG1 2.97Å; Y356-T372 HydrophobicContact CD2-CG2 3.78Å; Y356-T372 HydrophobicContact CE2-CG2 4.06Å; L359-T372 HydrophobicContact CB-CG2 4.23Å; L359-T372 HydrophobicContact CD1-CG2 3.68Å; T372-L374 HydrophobicContact CG2-CD2 4.2Å; T372-T384 CarbonylContact O-C 3.51Å; T372-T384 VanDerWaalsContact O-CA 3.31Å; T372-T384 WeakPolarHBondContact O-CA 3.25Å; T372-Y385 PolarHBondContact N-O 2.74Å; T372-Y385 PolarHBondContact O-N 3.19Å; T372-Q387 WeakPolarHBondContact OG1-CG 3.39Å; T372-Q387 PolarHBondContact OG1-NE2 3.28Å
373	S	98.8	Very high	97.4	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	141	169.9	-64.4	0	0	0	0	111.5	A158 R159 A202 Y371 E383 T384	A158-S373 CarbonylContact C-O 3.42Å; A158-S373 WeakPolarHBondContact CA-O 3.32Å; R159-S373 PolarHBondContact N-O 3.41Å; R159-S373 PolarHBondContact O-N 2.9Å; A202-S373 WeakPolarHBondContact CB-OG 3.38Å; Y371-S373 WeakPolarHBondContact CD2-OG 3.45Å; Y371-S373 VanDerWaalsContact CE2-OG 3.31Å; Y371-S373 WeakPolarHBondContact CE2-OG 3.47Å; S373-E383 CarbonylContact C-O 3.47Å; S373-E383 WeakPolarHBondContact CA-O 3.2Å; S373-T384 WeakPolarHBondContact OG-CG2 3.27Å; S373-T384 PolarHBondContact OG-OG1 2.99Å; S373-T384 VanDerWaalsContact OG-OG1 3.08Å
374	L	98.9	Very high	97.6	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	132.9	176.7	-50.8	171.4	0	0	0	108	Y40 A158 F352 L355 Y356 T372 L382 E383 Y385	Y40-L374 HydrophobicContact CD2-CD1 4.28Å; Y40-L374 HydrophobicContact CE2-CD1 3.74Å; A158-L374 HydrophobicContact CB-CD2 3.66Å; F352-L374 HydrophobicContact CB-CD1 3.81Å; F352-L374 HydrophobicContact CD1-CB 3.79Å; F352-L374 HydrophobicContact CD2-CB 4.16Å; F352-L374 HydrophobicContact CD2-CD1 4.25Å; F352-L374 HydrophobicContact CE1-CB 3.83Å; F352-L374 HydrophobicContact CE2-CB 4.22Å; F352-L374 HydrophobicContact CG-CB 3.96Å; F352-L374 HydrophobicContact CG-CD1 3.96Å; F352-L374 HydrophobicContact CZ-CB 4.06Å; L355-L374 HydrophobicContact CB-CD2 4.32Å; Y356-L374 HydrophobicContact CD2-CD1 4.21Å; T372-L374 HydrophobicContact CG2-CD2 4.2Å; L374-L382 CarbonylContact O-C 3.57Å; L374-L382 WeakPolarHBondContact O-CA 3.44Å; L374-E383 HydrophobicContact CB-CB 4.43Å; L374-E383 PolarHBondContact N-O 2.71Å; L374-E383 PolarHBondContact O-N 2.55Å; L374-Y385 HydrophobicContact CD1-CE2 4.2Å
375	M	98.9	Very high	97.7	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	140	-171.2	-70	164.5	-64.9	0	0	111	A157 T212 V214 T222 T381 L382	A157-M375 HydrophobicContact CB-CB 4.28Å; A157-M375 HydrophobicContact CB-CE 4.03Å; A157-M375 PolarHBondContact N-O 3.06Å; A157-M375 PolarHBondContact O-N 3.32Å; T212-M375 HydrophobicContact CG2-CE 4.05Å; T212-M375 HydrophobicContact CG2-SD 3.82Å; V214-M375 HydrophobicContact CB-CB 4.5Å; V214-M375 HydrophobicContact CB-CG 4.28Å; T222-M375 HydrophobicContact CG2-CE 3.49Å; T222-M375 VanDerWaalsContact CG2-CE 3.49Å; T222-M375 HydrophobicContact CG2-SD 4.45Å; M375-T381 WeakPolarHBondContact CA-O 3.24Å; M375-L382 HydrophobicContact CG-CD1 3.5Å; M375-L382 VanDerWaalsContact CG-CD1 3.5Å; M375-L382 HydrophobicContact SD-CD1 4.14Å
376	Y	98.7	Very high	97.8	Very high	35 Å²	35	15.5 Å²	15.5	14%	0.137	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	107.4	171.1	-176.3	-129.3	0	0	0	108.7	D154 V155 Y156 A378 N379 G380 T381	D154-Y376 HydrophobicContact CB-CE2 3.89Å; D154-Y376 PolarHBondContact OD1-OH 2.7Å; V155-Y376 WeakPolarHBondContact O-CD2 3.39Å; Y156-Y376 AromaticContact CD1-CD2 3.84Å; Y156-Y376 HydrophobicContact CD1-CD2 3.84Å; Y156-Y376 HydrophobicContact CD1-CG 4.12Å; Y156-Y376 HydrophobicContact CE1-CD1 4.43Å; Y156-Y376 AromaticContact CE1-CD2 3.73Å; Y156-Y376 HydrophobicContact CE1-CD2 3.73Å; Y156-Y376 HydrophobicContact CE1-CE2 4.25Å; Y156-Y376 AromaticContact CE1-CG 3.85Å; Y156-Y376 HydrophobicContact CE1-CG 3.85Å; Y156-Y376 HydrophobicContact CG-CD2 4.32Å; Y376-A378 VanDerWaalsContact C-N 3.33Å; Y376-A378 HydrophobicContact CD1-CB 4.33Å; Y376-A378 HydrophobicContact CE1-CB 3.73Å; Y376-A378 HydrophobicContact CE2-CB 3.95Å; Y376-A378 PolarHBondContact O-N 3.32Å; Y376-N379 VanDerWaalsContact CD1-OD1 3.31Å; Y376-N379 WeakPolarHBondContact CD1-OD1 3.23Å; Y376-N379 PolarHBondContact O-OD1 2.79Å; Y376-G380 WeakPolarHBondContact O-CA 3.42Å; Y376-G380 PolarHBondContact O-N 2.81Å; Y376-T381 PolarHBondContact N-O 2.67Å; Y376-T381 PolarHBondContact O-N 2.99Å
377	A	98.7	Very high	97.9	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-32.4	-169.9	0	0	0	0	0	112.5	V214 K217 N379 G380	V214-A377 HydrophobicContact CG2-CB 4.21Å; K217-A377 WeakPolarHBondContact CA-O 3.32Å; K217-A377 PolarHBondContact N-O 3.15Å; A377-N379 VanDerWaalsContact C-N 3.25Å; A377-N379 PolarHBondContact O-N 3.25Å; A377-G380 PolarHBondContact O-N 3.28Å
378	A	98.3	Very high	97.9	Very high	29 Å²	29	19.6 Å²	19.6	24%	0.24	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-36.2	-175.5	0	0	0	0	0	113.3	K217 C286 Y376	K217-A378 WeakPolarHBondContact CG-O 3.39Å; C286-A378 HydrophobicContact CB-CB 4.2Å; Y376-A378 VanDerWaalsContact C-N 3.33Å; Y376-A378 HydrophobicContact CD1-CB 4.33Å; Y376-A378 HydrophobicContact CE1-CB 3.73Å; Y376-A378 HydrophobicContact CE2-CB 3.95Å; Y376-A378 PolarHBondContact O-N 3.32Å
379	N	97.6	Very high	98	Very high	90 Å²	90	19.6 Å²	19.6	48%	0.481	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.3	-3.8	174.2	67.1	7.4	0	0	0	114	Y376 A377 T381	Y376-N379 VanDerWaalsContact CD1-OD1 3.31Å; Y376-N379 WeakPolarHBondContact CD1-OD1 3.23Å; Y376-N379 PolarHBondContact O-OD1 2.79Å; A377-N379 VanDerWaalsContact C-N 3.25Å; A377-N379 PolarHBondContact O-N 3.25Å; N379-T381 PolarHBondContact ND2-OG1 3.25Å; N379-T381 VanDerWaalsContact OD1-CB 3.32Å; N379-T381 WeakPolarHBondContact OD1-CB 3.32Å; N379-T381 PolarHBondContact OD1-N 3.04Å; N379-T381 PolarHBondContact OD1-OG1 3.05Å
380	G	98.3	Very high	97.8	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.7	26.7	179.3	0	0	0	0	0	114	K200 Y376 A377	K200-G380 WeakPolarHBondContact CD-O 3.49Å; K200-G380 PolarHBondContact NZ-O 2.98Å; Y376-G380 WeakPolarHBondContact O-CA 3.42Å; Y376-G380 PolarHBondContact O-N 2.81Å; A377-G380 PolarHBondContact O-N 3.28Å
381	T	98.6	Very high	97.5	Very high	42 Å²	42	27.8 Å²	27.8	26%	0.258	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	134.1	171.8	-64.3	0	0	0	0	110.2	F352 M375 Y376 N379 E383	F352-T381 HydrophobicContact CE2-CG2 3.56Å; F352-T381 HydrophobicContact CZ-CG2 3.78Å; M375-T381 WeakPolarHBondContact CA-O 3.24Å; Y376-T381 PolarHBondContact N-O 2.67Å; Y376-T381 PolarHBondContact O-N 2.99Å; N379-T381 PolarHBondContact ND2-OG1 3.25Å; N379-T381 VanDerWaalsContact OD1-CB 3.32Å; N379-T381 WeakPolarHBondContact OD1-CB 3.32Å; N379-T381 PolarHBondContact OD1-N 3.04Å; N379-T381 PolarHBondContact OD1-OG1 3.05Å; T381-E383 HydrophobicContact CG2-CG 4.19Å
382	L	98.9	Very high	97.2	Very high	10 Å²	10	31.1 Å²	31.1	5%	0.052	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	122.7	167.8	167.7	65.7	0	0	0	106.9	W50 K200 S201 A202 V214 L374 M375	W50-L382 HydrophobicContact CH2-CB 4.29Å; W50-L382 HydrophobicContact CH2-CD2 4.08Å; W50-L382 HydrophobicContact CH2-CG 4.42Å; K200-L382 HydrophobicContact CB-CD2 4.12Å; S201-L382 VanDerWaalsContact C-CD2 3.41Å; A202-L382 HydrophobicContact CB-CD2 4.43Å; V214-L382 HydrophobicContact CG1-CB 3.71Å; L374-L382 CarbonylContact O-C 3.57Å; L374-L382 WeakPolarHBondContact O-CA 3.44Å; M375-L382 HydrophobicContact CG-CD1 3.5Å; M375-L382 VanDerWaalsContact CG-CD1 3.5Å; M375-L382 HydrophobicContact SD-CD1 4.14Å
383	E	98.8	Very high	96.8	Very high	50 Å²	50	31.3 Å²	31.3	23%	0.234	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	138.4	167.9	-61.8	-174.8	-163.9	0	0	109.1	Y40 F352 S373 L374 T381 Y385	Y40-E383 VanDerWaalsContact OH-CD 3.3Å; Y40-E383 PolarHBondContact OH-OE1 3.32Å; Y40-E383 PolarHBondContact OH-OE2 3.22Å; F352-E383 HydrophobicContact CD2-CG 4.36Å; F352-E383 WeakPolarHBondContact CD2-OE1 3.35Å; F352-E383 HydrophobicContact CE2-CG 3.94Å; S373-E383 CarbonylContact C-O 3.47Å; S373-E383 WeakPolarHBondContact CA-O 3.2Å; L374-E383 HydrophobicContact CB-CB 4.43Å; L374-E383 PolarHBondContact N-O 2.71Å; L374-E383 PolarHBondContact O-N 2.55Å; T381-E383 HydrophobicContact CG2-CG 4.19Å; E383-Y385 HydrophobicContact CB-CE2 3.8Å; E383-Y385 WeakPolarHBondContact OE2-CE2 3.14Å; E383-Y385 PolarHBondContact OE2-OH 2.97Å
384	T	98.8	Very high	96.2	Very high	4 Å²	4	32.1 Å²	32.1	3%	0.025	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	133.5	178.3	-53.7	0	0	0	0	109.6	V48 V186 N188 A202 Y371 T372 S373	V48-T384 HydrophobicContact CB-CG2 4.35Å; V48-T384 HydrophobicContact CG2-CG2 3.82Å; V48-T384 WeakPolarHBondContact CG2-O 3.46Å; V48-T384 PolarHBondContact N-O 3Å; V186-T384 HydrophobicContact CG1-CG2 4.21Å; N188-T384 VanDerWaalsContact OD1-CB 3.23Å; N188-T384 WeakPolarHBondContact OD1-CB 3.38Å; N188-T384 PolarHBondContact OD1-OG1 2.85Å; A202-T384 HydrophobicContact CB-CG2 4Å; A202-T384 WeakPolarHBondContact CB-OG1 3.23Å; Y371-T384 HydrophobicContact CD2-CG2 3.7Å; Y371-T384 HydrophobicContact CE2-CG2 4.41Å; Y371-T384 HydrophobicContact CG-CG2 3.95Å; T372-T384 CarbonylContact O-C 3.51Å; T372-T384 VanDerWaalsContact O-CA 3.31Å; T372-T384 WeakPolarHBondContact O-CA 3.25Å; S373-T384 WeakPolarHBondContact OG-CG2 3.27Å; S373-T384 PolarHBondContact OG-OG1 2.99Å; S373-T384 VanDerWaalsContact OG-OG1 3.08Å
385	Y	98.8	Very high	95.5	Very high	10 Å²	10	37.3 Å²	37.3	4%	0.039	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	125.7	-179.4	-58.7	-80	0	0	0	110	Y40 P42 A46 K47 Y356 Y371 T372 L374 E383 Q387	Y40-Y385 HydrophobicContact CE2-CE2 4.09Å; P42-Y385 HydrophobicContact CB-CD1 3.92Å; P42-Y385 HydrophobicContact CB-CE1 4.31Å; P42-Y385 HydrophobicContact CB-CG 4.33Å; P42-Y385 HydrophobicContact CG-CD1 3.66Å; P42-Y385 HydrophobicContact CG-CD2 4.05Å; P42-Y385 HydrophobicContact CG-CE1 3.91Å; P42-Y385 HydrophobicContact CG-CE2 4.3Å; P42-Y385 HydrophobicContact CG-CG 3.72Å; A46-Y385 HydrophobicContact CB-CD1 4.39Å; A46-Y385 CarbonylContact O-C 3.14Å; A46-Y385 VanDerWaalsContact O-CA 3.24Å; A46-Y385 WeakPolarHBondContact O-CA 3.45Å; K47-Y385 HydrophobicContact CG-CD1 4.1Å; K47-Y385 HydrophobicContact CG-CE1 3.74Å; Y356-Y385 HydrophobicContact CD2-CD2 4.24Å; Y356-Y385 AromaticContact CE2-CD2 3.95Å; Y356-Y385 HydrophobicContact CE2-CD2 3.95Å; Y356-Y385 HydrophobicContact CE2-CG 4.26Å; Y371-Y385 CarbonylContact C-O 3.51Å; Y371-Y385 WeakPolarHBondContact CA-O 3.29Å; Y371-Y385 WeakPolarHBondContact CB-O 3.46Å; T372-Y385 PolarHBondContact N-O 2.74Å; T372-Y385 PolarHBondContact O-N 3.19Å; L374-Y385 HydrophobicContact CD1-CE2 4.2Å; E383-Y385 HydrophobicContact CB-CE2 3.8Å; E383-Y385 WeakPolarHBondContact OE2-CE2 3.14Å; E383-Y385 PolarHBondContact OE2-OH 2.97Å; Y385-Q387 PolarHBondContact O-N 3.07Å
386	I	98.5	Very high	94.2	Very high	51 Å²	51	38.1 Å²	38.1	26%	0.262	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	133	170.3	-63.1	168.8	0	0	0	108.3	A46 V48 R183 V186	A46-I386 PolarHBondContact O-N 2.89Å; V48-I386 HydrophobicContact CG2-CD1 4.33Å; V48-I386 HydrophobicContact CG2-CG1 3.78Å; R183-I386 HydrophobicContact CB-CG2 4.13Å; R183-I386 HydrophobicContact CG-CG2 4.1Å; R183-I386 WeakPolarHBondContact O-CD1 3.3Å; V186-I386 HydrophobicContact CB-CD1 4.42Å; V186-I386 HydrophobicContact CB-CG1 4.1Å; V186-I386 HydrophobicContact CG2-CG1 4.18Å
387	Q	97.4	Very high	94	Very high	15 Å²	15	38.3 Å²	38.3	7%	0.07	21%	0.208	C	C	.	.			trans	-113.7	153.5	-178.1	-72.8	-69.5	3.6	0	0	111.5	R183 Y356 L365 T369 V370 T372 Y385	R183-Q387 PolarHBondContact NE-O 2.95Å; Y356-Q387 PolarHBondContact OH-NE2 2.95Å; L365-Q387 HydrophobicContact CD1-CB 3.96Å; L365-Q387 HydrophobicContact CD1-CG 4.21Å; T369-Q387 HydrophobicContact CG2-CB 3.69Å; T369-Q387 HydrophobicContact CG2-CG 4.01Å; V370-Q387 PolarHBondContact O-N 3.15Å; T372-Q387 WeakPolarHBondContact OG1-CG 3.39Å; T372-Q387 PolarHBondContact OG1-NE2 3.28Å; Y385-Q387 PolarHBondContact O-N 3.07Å
388	N	94.9	Very high	93.7	Very high	75 Å²	75	40.3 Å²	40.3	40%	0.401	22%	0.219	S	C	.	.			trans	-148.1	149.8	166.3	-173.5	7.6	0	0	0	108.5	Q175	Q175-N388 PolarHBondContact NE2-OD1 2.86Å; Q175-N388 VanDerWaalsContact NE2-OD1 3.1Å
389	C	94.9	Very high	93.5	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.218	C	C	.	.			trans	-114.6	103.1	178	-159.3	0	0	0	0	111.1	K362 L365 N366 K367 C393	K362-C389 WeakPolarHBondContact CE-SG 3.41Å; L365-C389 HydrophobicContact CG-CB 4.12Å; N366-C389 VanDerWaalsContact O-CB 3.3Å; N366-C389 WeakPolarHBondContact O-CB 3.29Å; K367-C389 WeakPolarHBondContact CD-O 3.25Å; K367-C389 WeakPolarHBondContact CE-O 3.43Å; K367-C389 PolarHBondContact NZ-O 2.85Å; C389-C393 HydrophobicContact CB-CB 3.73Å; C389-C393 WeakPolarHBondContact CB-SG 3.38Å; C389-C393 WeakPolarHBondContact SG-CB 3.47Å; C389-C393 CovalentContact SG-SG 2.01Å; C389-C393 PolarHBondContact SG-SG 3.11Å
390	P	92.3	Very high	93.2	Very high	87 Å²	87	38.1 Å²	38.1	57%	0.565	20%	0.203	S	C	*	.	P	Polyproline II helix	trans	-68.7	152.2	179.9	28.3	-34	0	0	0	111.4	K362 P392 C393	K362-P390 PolarHBondContact NZ-O 3.41Å; P390-P392 CarbonylContact O-C 3.59Å; P390-C393 WeakPolarHBondContact O-CB 3.24Å
391	D	90.8	Very high	92.9	Very high	86 Å²	86	40.4 Å²	40.4	46%	0.46	22%	0.215	S	C	.	.	S	Bend	trans	-62.9	144.4	177.5	-75.2	-14.2	0	0	0	111.9	H174 K367	H174-D391 IonicContact CE1-OD2 2.67Å; H174-D391 IonicContact CG-OD2 3.63Å; H174-D391 IonicContact ND1-OD2 2.96Å; H174-D391 PolarHBondContact ND1-OD2 3.3Å; K367-D391 WeakPolarHBondContact CE-OD1 3.41Å; K367-D391 IonicContact NZ-OD1 2.66Å; K367-D391 PolarHBondContact NZ-OD1 3.5Å
392	P	91.3	Very high	92.5	Very high	69 Å²	69	40.3 Å²	40.3	45%	0.448	21%	0.212	S	C	.	.	S	Bend	cis	-76	135	-7	30.7	-33.8	0	0	0	111.7	P27 K362 P390	P27-P392 HydrophobicContact CB-CB 3.55Å; P27-P392 HydrophobicContact CB-CG 3.54Å; P27-P392 HydrophobicContact CG-CB 3.66Å; P27-P392 HydrophobicContact CG-CG 4.21Å; K362-P392 PolarHBondContact NZ-O 3.36Å; P390-P392 CarbonylContact O-C 3.59Å
393	C	91.1	Very high	92.1	Very high	5 Å²	5	42.5 Å²	42.5	3%	0.034	22%	0.224	C	C	.	.			trans	-146.3	154.8	175	-165.7	0	0	0	0	112.8	Y28 K367 C389 P390	Y28-C393 WeakPolarHBondContact CE1-O 3.48Å; K367-C393 HydrophobicContact CD-CB 4.46Å; K367-C393 HydrophobicContact CG-CB 4.23Å; C389-C393 HydrophobicContact CB-CB 3.73Å; C389-C393 WeakPolarHBondContact CB-SG 3.38Å; C389-C393 WeakPolarHBondContact SG-CB 3.47Å; C389-C393 CovalentContact SG-SG 2.01Å; C389-C393 PolarHBondContact SG-SG 3.11Å; P390-C393 WeakPolarHBondContact O-CB 3.24Å
394	W	86.4	Confident	91.6	Very high	17 Å²	17	41.9 Å²	41.9	6%	0.064	22%	0.223	C	C	.	.			trans	-62.9	140.9	176.1	-75.6	77.4	0	0	0	112.3	A21 L24 Y28 P363 N366 K367 V396	A21-W394 HydrophobicContact CB-CH2 3.66Å; A21-W394 HydrophobicContact CB-CZ2 3.8Å; L24-W394 HydrophobicContact CD1-CH2 3.07Å; L24-W394 HydrophobicContact CD1-CZ2 3.48Å; L24-W394 VanDerWaalsContact CD1-CZ2 3.48Å; L24-W394 HydrophobicContact CD1-CZ3 3.98Å; L24-W394 HydrophobicContact CG-CH2 4.49Å; Y28-W394 HydrophobicContact CD1-CD2 4.3Å; Y28-W394 HydrophobicContact CD1-CG 4.14Å; Y28-W394 WeakPolarHBondContact O-CZ2 3.38Å; Y28-W394 PolarHBondContact O-NE1 2.85Å; P363-W394 HydrophobicContact CB-CB 4.19Å; P363-W394 HydrophobicContact CB-CD2 3.81Å; P363-W394 HydrophobicContact CB-CE3 4.45Å; P363-W394 HydrophobicContact CB-CG 3.69Å; P363-W394 HydrophobicContact CB-CZ2 4.47Å; N366-W394 HydrophobicContact CB-CB 4.27Å; K367-W394 WeakPolarHBondContact CB-O 3.26Å; K367-W394 WeakPolarHBondContact CG-O 3.4Å; K367-W394 PolarHBondContact N-O 3.16Å; W394-V396 VanDerWaalsContact C-N 3.25Å; W394-V396 VanDerWaalsContact CB-O 3.3Å; W394-V396 WeakPolarHBondContact CB-O 3.4Å; W394-V396 PolarHBondContact O-N 3.43Å
395	Y	83.9	Confident	91	Very high	108 Å²	108	45.1 Å²	45.1	42%	0.424	24%	0.24	S	C	.	.			trans	-69.5	-26	176.8	-64.7	-90.9	0	0	0	112.6	W169 W176 L368	W169-Y395 HydrophobicContact CD2-CE1 4.49Å; W169-Y395 AromaticContact CE2-CE1 3.82Å; W169-Y395 HydrophobicContact CE3-CD1 4.38Å; W169-Y395 AromaticContact CH2-CD1 3.47Å; W169-Y395 HydrophobicContact CH2-CD1 3.47Å; W169-Y395 VanDerWaalsContact CH2-CD1 3.47Å; W169-Y395 AromaticContact CH2-CE1 3.45Å; W169-Y395 HydrophobicContact CH2-CE1 3.45Å; W169-Y395 VanDerWaalsContact CH2-CE1 3.45Å; W169-Y395 AromaticContact CZ2-CD1 3.8Å; W169-Y395 HydrophobicContact CZ2-CD1 3.8Å; W169-Y395 AromaticContact CZ2-CE1 3.27Å; W169-Y395 HydrophobicContact CZ2-CE1 3.27Å; W169-Y395 AromaticContact CZ3-CD1 3.81Å; W169-Y395 HydrophobicContact CZ3-CD1 3.81Å; W169-Y395 HydrophobicContact CZ3-CE1 4.17Å; W176-Y395 PolarHBondContact NE1-O 3.08Å; L368-Y395 WeakPolarHBondContact CG-O 3.12Å
396	V	71.6	Confident	90.3	Very high	18 Å²	18	48.3 Å²	48.3	11%	0.109	26%	0.258	C	S	.	.			trans	-139.4	0	-179.6	-174.7	0	0	0	0	109.9	V142 F165 D332 R334 N366 L368 W394	V142-V396 HydrophobicContact CG1-CG1 4.23Å; F165-V396 HydrophobicContact CD2-CG2 3.6Å; F165-V396 HydrophobicContact CE2-CG2 3.36Å; F165-V396 HydrophobicContact CZ-CG2 4.19Å; D332-V396 HydrophobicContact CB-CG1 4.14Å; R334-V396 WeakPolarHBondContact CD-OXT 3.36Å; N366-V396 VanDerWaalsContact CB-C 3.4Å; N366-V396 VanDerWaalsContact CB-OXT 3.23Å; N366-V396 WeakPolarHBondContact CB-OXT 3.28Å; N366-V396 PolarHBondContact ND2-OXT 2.77Å; L368-V396 HydrophobicContact CD1-CB 4.27Å; L368-V396 HydrophobicContact CD1-CG1 4.17Å; L368-V396 HydrophobicContact CD1-CG2 3.9Å; W394-V396 VanDerWaalsContact C-N 3.25Å; W394-V396 VanDerWaalsContact CB-O 3.3Å; W394-V396 WeakPolarHBondContact CB-O 3.4Å; W394-V396 PolarHBondContact O-N 3.43Å

Retrieved 396 of 396 residues in 1850.7 ms (Link to these results)

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