G4VQY8_SCHMA Loading...

tRNA N(3)-methylcytidine methyltransferase

S-adenosyl-L-methionine-dependent methyltransferase.

AlphaFold DB , UniProt , Accession G4VQY8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 291 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	37.2	Very low	59.4	Low	244 Å²	244	102.8 Å²	102.8	100%	1.202	59%	0.586	S	S	*	*				0	116.7	0	-74.4	179.4	-177.6	0	0	106.9	S3	M1-S3 PolarHBondContact O-N 2.96Å
2	A	41.9	Very low	61.5	Low	100 Å²	100	96.7 Å²	96.7	83%	0.826	55%	0.553	S	S	*	*			trans	-59.3	125.1	168	0	0	0	0	0	107	K4	A2-K4 PolarHBondContact O-N 3.24Å
3	S	46.4	Very low	63.6	Low	114 Å²	114	92.9 Å²	92.9	80%	0.797	53%	0.525	S	S	*	.			trans	-54.5	112.7	168.5	53.6	0	0	0	0	106.1	M1 D5	M1-S3 PolarHBondContact O-N 2.96Å; S3-D5 PolarHBondContact O-N 3.45Å
4	K	49.2	Very low	65.5	Low	167 Å²	167	94.7 Å²	94.7	73%	0.726	52%	0.52	S	S	*	.			trans	-56.9	117.9	166.3	-78	-177.7	177	177.5	0	105	A2 C6	A2-K4 PolarHBondContact O-N 3.24Å; K4-C6 PolarHBondContact O-N 2.63Å
5	D	57.1	Low	67.2	Low	102 Å²	102	90.9 Å²	90.9	55%	0.545	50%	0.499	S	S	.	.			trans	-51	135.1	173.9	-161.2	0.7	0	0	0	107.2	S3 N7 D8	S3-D5 PolarHBondContact O-N 3.45Å; D5-N7 PolarHBondContact O-N 3.3Å; D5-D8 PolarHBondContact O-N 3.28Å
6	C	60.5	Low	68.5	Low	72 Å²	72	93.6 Å²	93.6	49%	0.486	52%	0.519	S	S	.	.	G	3₁₀ helix	trans	-50.9	-31.8	-173.8	-174.7	0	0	0	0	110.8	K4 D8 I9 C12	K4-C6 PolarHBondContact O-N 2.63Å; C6-D8 VanDerWaalsContact C-N 3.26Å; C6-D8 PolarHBondContact O-N 3.21Å; C6-I9 VanDerWaalsContact O-CB 3.31Å; C6-I9 WeakPolarHBondContact O-CB 3.21Å; C6-I9 PolarHBondContact O-N 3Å; C6-C12 WeakPolarHBondContact O-CB 3.42Å
7	N	59.1	Low	69.6	Low	71 Å²	71	93 Å²	93	38%	0.38	52%	0.515	S	S	.	.	G	3₁₀ helix	trans	-63	-17.4	177.6	-62.6	-30.5	0	0	0	115.4	D5 R13 R24	D5-N7 PolarHBondContact O-N 3.3Å; N7-R13 WeakPolarHBondContact O-CG 3.13Å; N7-R24 PolarHBondContact O-NH1 3.23Å
8	D	68.1	Low	70.7	Confident	102 Å²	102	92.1 Å²	92.1	55%	0.545	52%	0.521	S	S	.	.	G	3₁₀ helix	trans	-92	-4.6	174	-79.8	-6.3	0	0	0	113.2	D5 C6 R24	D5-D8 PolarHBondContact O-N 3.28Å; C6-D8 VanDerWaalsContact C-N 3.26Å; C6-D8 PolarHBondContact O-N 3.21Å; D8-R24 IonicContact OD1-CZ 2.76Å; D8-R24 IonicContact OD1-NH1 3.71Å; D8-R24 PolarHBondContact OD1-NH1 3.32Å; D8-R24 IonicContact OD1-NH2 2.79Å; D8-R24 PolarHBondContact OD1-NH2 3.33Å
9	I	75.4	Confident	71.8	Confident	74 Å²	74	91.6 Å²	91.6	38%	0.379	52%	0.524	S	S	.	.	S	Bend	trans	-85.5	131.8	-178.3	-53.2	178	0	0	0	109.1	C6 G11 C12	C6-I9 VanDerWaalsContact O-CB 3.31Å; C6-I9 WeakPolarHBondContact O-CB 3.21Å; C6-I9 PolarHBondContact O-N 3Å; I9-G11 PolarHBondContact O-N 2.55Å; I9-C12 HydrophobicContact CB-CB 4.3Å; I9-C12 PolarHBondContact O-N 3.31Å
10	F	76.8	Confident	72.8	Confident	54 Å²	54	89.2 Å²	89.2	24%	0.237	51%	0.51	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	127.3	172	176.8	-90	0	0	0	110.7	W85 K88 R268	F10-W85 HydrophobicContact CE1-CB 4.33Å; F10-W85 HydrophobicContact CE2-CB 4.47Å; F10-W85 HydrophobicContact CZ-CB 3.8Å; F10-K88 HydrophobicContact CB-CD 4.14Å; F10-K88 HydrophobicContact CD1-CD 3.64Å; F10-K88 HydrophobicContact CE1-CD 4.28Å; F10-K88 HydrophobicContact CG-CD 4.12Å; F10-R268 VanDerWaalsContact CE2-NH1 3.28Å
11	G	81.6	Confident	73.6	Confident	31 Å²	31	85.2 Å²	85.2	32%	0.32	49%	0.487	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.7	-6.3	-176.5	0	0	0	0	0	113.9	I9 Y14 D28	I9-G11 PolarHBondContact O-N 2.55Å; G11-Y14 PolarHBondContact O-OH 3.44Å; G11-D28 WeakPolarHBondContact CA-OD2 3.44Å; G11-D28 PolarHBondContact N-OD2 2.78Å
12	C	85.3	Confident	76.2	Confident	29 Å²	29	77 Å²	77	20%	0.196	44%	0.443	C	S	.	.			trans	-123.8	9.9	-175.5	-58.7	0	0	0	0	113.5	C6 I9 Y14 D28	C6-C12 WeakPolarHBondContact O-CB 3.42Å; I9-C12 HydrophobicContact CB-CB 4.3Å; I9-C12 PolarHBondContact O-N 3.31Å; C12-Y14 HydrophobicContact CB-CE2 4.49Å; C12-Y14 WeakPolarHBondContact O-CD2 3.39Å; C12-Y14 PolarHBondContact O-N 3.43Å; C12-D28 PolarHBondContact N-OD2 3.06Å
13	R	88.3	Confident	78.5	Confident	48 Å²	48	78.2 Å²	78.2	18%	0.181	43%	0.432	C	S	.	.			trans	-87.9	78	179.8	-65.6	162.2	-60.3	174.8	9.2	111.1	N7 W27 D28	N7-R13 WeakPolarHBondContact O-CG 3.13Å; R13-W27 HydrophobicContact CB-CE3 4.48Å; R13-W27 CarbonylContact O-C 3.59Å; R13-W27 VanDerWaalsContact O-CA 3.23Å; R13-W27 WeakPolarHBondContact O-CA 3.39Å; R13-D28 WeakPolarHBondContact CB-OD2 3.3Å; R13-D28 IonicContact CZ-OD1 3.56Å; R13-D28 IonicContact CZ-OD2 2.84Å; R13-D28 PolarHBondContact N-OD2 2.92Å; R13-D28 VanDerWaalsContact N-OD2 3.09Å; R13-D28 IonicContact NE-OD1 2.7Å; R13-D28 IonicContact NE-OD2 3.61Å; R13-D28 PolarHBondContact NE-OD2 3.04Å; R13-D28 IonicContact NH2-OD1 2.69Å; R13-D28 PolarHBondContact NH2-OD1 3.21Å; R13-D28 IonicContact NH2-OD2 3.47Å; R13-D28 PolarHBondContact NH2-OD2 2.7Å; R13-D28 PolarHBondContact O-N 3.21Å
14	Y	90.4	Very high	80.5	Confident	118 Å²	118	76 Å²	76	46%	0.463	41%	0.406	S	S	.	.			trans	-86.9	131.5	-178.5	-51.6	-64.2	0	0	0	111.8	G11 C12 T16 W27 D28 D29	G11-Y14 PolarHBondContact O-OH 3.44Å; C12-Y14 HydrophobicContact CB-CE2 4.49Å; C12-Y14 WeakPolarHBondContact O-CD2 3.39Å; C12-Y14 PolarHBondContact O-N 3.43Å; Y14-T16 PolarHBondContact O-N 3.13Å; Y14-W27 VanDerWaalsContact C-CE3 3.43Å; Y14-W27 VanDerWaalsContact O-CZ3 3.29Å; Y14-W27 WeakPolarHBondContact O-CZ3 3.47Å; Y14-D28 WeakPolarHBondContact CD1-O 3.18Å; Y14-D29 HydrophobicContact CD1-CB 4.28Å; Y14-D29 HydrophobicContact CE1-CB 3.99Å
15	L	90.1	Very high	82.4	Confident	37 Å²	37	72.9 Å²	72.9	19%	0.194	40%	0.397	C	S	.	.			trans	-84	106.4	175.2	-175.9	58.1	0	0	0	109	D17 D20 V21 W27 F30 L269	L15-D17 WeakPolarHBondContact CD1-O 3.46Å; L15-D20 HydrophobicContact CD1-CB 4.16Å; L15-V21 HydrophobicContact CD1-CB 4.47Å; L15-V21 HydrophobicContact CD2-CB 3.86Å; L15-V21 HydrophobicContact CD2-CG2 3.76Å; L15-W27 VanDerWaalsContact CA-CE3 3.46Å; L15-W27 HydrophobicContact CB-CB 4.09Å; L15-W27 HydrophobicContact CB-CD2 3.65Å; L15-W27 HydrophobicContact CB-CE3 3.66Å; L15-W27 HydrophobicContact CB-CG 3.83Å; L15-W27 HydrophobicContact CB-CZ3 4.27Å; L15-W27 HydrophobicContact CD1-CD2 3.89Å; L15-W27 HydrophobicContact CD1-CE3 4.06Å; L15-W27 HydrophobicContact CD1-CH2 3.81Å; L15-W27 HydrophobicContact CD1-CZ2 3.68Å; L15-W27 HydrophobicContact CD1-CZ3 4Å; L15-W27 HydrophobicContact CD2-CG 4.39Å; L15-W27 HydrophobicContact CG-CD2 4.23Å; L15-W27 HydrophobicContact CG-CE3 4.47Å; L15-F30 HydrophobicContact CB-CD2 4.29Å; L15-F30 HydrophobicContact CD2-CD2 4.23Å; L15-F30 HydrophobicContact CD2-CE2 3.85Å; L15-L269 HydrophobicContact CD2-CD2 3.88Å
16	T	88.3	Confident	84.1	Confident	134 Å²	134	68.8 Å²	68.8	82%	0.822	38%	0.378	S	S	*	.			trans	-97.4	-34	-178	51.1	0	0	0	0	113.2	Y14	Y14-T16 PolarHBondContact O-N 3.13Å
17	D	87.9	Confident	85.7	Confident	84 Å²	84	66 Å²	66	45%	0.449	36%	0.357	S	S	.	.	S	Bend	trans	-113.5	132.6	171.1	-164.3	-32.3	0	0	0	110.3	L15 S19 D20	L15-D17 WeakPolarHBondContact CD1-O 3.46Å; D17-S19 PolarHBondContact O-N 3.11Å; D17-S19 PolarHBondContact OD1-N 2.98Å; D17-S19 PolarHBondContact OD1-OG 3.27Å; D17-S19 VanDerWaalsContact OD1-OG 3.08Å; D17-S19 PolarHBondContact OD2-OG 3.39Å; D17-D20 PolarHBondContact O-N 3.3Å
18	A	88.3	Confident	87.2	Confident	76 Å²	76	62.9 Å²	62.9	63%	0.628	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-64.7	-23.7	177.4	0	0	0	0	0	113.4	D20 V21	A18-D20 PolarHBondContact O-N 3.31Å; A18-V21 WeakPolarHBondContact O-CG1 3.24Å
19	S	91.6	Very high	88.3	Confident	83 Å²	83	61.1 Å²	61.1	58%	0.58	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-61.7	-31.2	174.6	57.6	0	0	0	0	112.4	D17 V21	D17-S19 PolarHBondContact O-N 3.11Å; D17-S19 PolarHBondContact OD1-N 2.98Å; D17-S19 PolarHBondContact OD1-OG 3.27Å; D17-S19 VanDerWaalsContact OD1-OG 3.08Å; D17-S19 PolarHBondContact OD2-OG 3.39Å; S19-V21 PolarHBondContact O-N 3.42Å
20	D	91.8	Very high	89.1	Confident	44 Å²	44	59.4 Å²	59.4	24%	0.235	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-86.5	-0.9	-168.6	-57.8	-10.1	0	0	0	111.9	L15 D17 A18 Y22 E23 W27	L15-D20 HydrophobicContact CD1-CB 4.16Å; D17-D20 PolarHBondContact O-N 3.3Å; A18-D20 PolarHBondContact O-N 3.31Å; D20-Y22 PolarHBondContact O-N 2.87Å; D20-E23 HydrophobicContact CB-CG 4.08Å; D20-E23 VanDerWaalsContact O-CB 3.29Å; D20-E23 WeakPolarHBondContact O-CB 3.38Å; D20-E23 WeakPolarHBondContact O-CG 3.3Å; D20-E23 PolarHBondContact O-N 2.86Å; D20-W27 HydrophobicContact CB-CH2 4.45Å; D20-W27 WeakPolarHBondContact O-CZ2 3.26Å
21	V	91.4	Very high	89.6	Confident	5 Å²	5	65.2 Å²	65.2	3%	0.03	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-51.3	-27	-171.4	68.1	0	0	0	0	114.6	L15 A18 S19 W27 L269 V271 K278	L15-V21 HydrophobicContact CD1-CB 4.47Å; L15-V21 HydrophobicContact CD2-CB 3.86Å; L15-V21 HydrophobicContact CD2-CG2 3.76Å; A18-V21 WeakPolarHBondContact O-CG1 3.24Å; S19-V21 PolarHBondContact O-N 3.42Å; V21-W27 PolarHBondContact O-NE1 3.04Å; V21-L269 HydrophobicContact CG2-CD2 3.65Å; V21-V271 HydrophobicContact CG2-CG1 3.97Å; V21-K278 HydrophobicContact CG2-CD 4.33Å
22	Y	90.9	Very high	89.9	Confident	72 Å²	72	65.8 Å²	65.8	28%	0.282	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-100.4	4.1	179.3	-61.7	-65.6	0	0	0	115.2	D20 R24 V271 R273 K276	D20-Y22 PolarHBondContact O-N 2.87Å; Y22-R24 VanDerWaalsContact C-N 3.35Å; Y22-V271 HydrophobicContact CD1-CB 4.13Å; Y22-V271 HydrophobicContact CD1-CG1 4.49Å; Y22-V271 HydrophobicContact CD1-CG2 4.34Å; Y22-V271 HydrophobicContact CE1-CB 4.28Å; Y22-V271 HydrophobicContact CE1-CG1 4.45Å; Y22-R273 WeakPolarHBondContact O-CD 3.08Å; Y22-R273 PolarHBondContact O-NE 2.73Å; Y22-K276 HydrophobicContact CE1-CB 4.2Å; Y22-K276 PolarHBondContact OH-O 3.12Å
23	E	90	Very high	90.2	Very high	126 Å²	126	68 Å²	68	59%	0.589	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-33.9	175.5	-65.6	-167.8	157	0	0	112	D20 W27	D20-E23 HydrophobicContact CB-CG 4.08Å; D20-E23 VanDerWaalsContact O-CB 3.29Å; D20-E23 WeakPolarHBondContact O-CB 3.38Å; D20-E23 WeakPolarHBondContact O-CG 3.3Å; D20-E23 PolarHBondContact O-N 2.86Å; E23-W27 HydrophobicContact CB-CZ2 4.42Å
24	R	87.8	Confident	90.4	Very high	67 Å²	67	72.9 Å²	72.9	25%	0.253	37%	0.371	S	S	.	.	S	Bend	trans	-115.9	160.5	177.5	-60	-177.4	177.5	-93	-13.5	110.4	N7 D8 Y22 W27 V271	N7-R24 PolarHBondContact O-NH1 3.23Å; D8-R24 IonicContact OD1-CZ 2.76Å; D8-R24 IonicContact OD1-NH1 3.71Å; D8-R24 PolarHBondContact OD1-NH1 3.32Å; D8-R24 IonicContact OD1-NH2 2.79Å; D8-R24 PolarHBondContact OD1-NH2 3.33Å; Y22-R24 VanDerWaalsContact C-N 3.35Å; R24-W27 HydrophobicContact CB-CD2 4.47Å; R24-W27 HydrophobicContact CB-CH2 4.31Å; R24-W27 HydrophobicContact CB-CZ2 3.76Å; R24-W27 HydrophobicContact CG-CH2 3.91Å; R24-W27 HydrophobicContact CG-CZ2 3.83Å; R24-W27 HydrophobicContact CG-CZ3 4.45Å; R24-V271 WeakPolarHBondContact O-CG2 3.18Å
25	N	90.6	Very high	90.6	Very high	102 Å²	102	74.3 Å²	74.3	55%	0.545	38%	0.382	S	S	.	.	S	Bend	trans	-82.3	-18.7	174.8	-69.6	-31.4	0	0	0	112.8	V271 R273	N25-V271 PolarHBondContact O-N 2.92Å; N25-R273 WeakPolarHBondContact OD1-CD 3.29Å
26	A	91.7	Very high	90.7	Very high	16 Å²	16	75 Å²	75	13%	0.132	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	145.9	-180	0	0	0	0	0	111.4	L269 I270	A26-L269 CarbonylContact C-O 3.57Å; A26-L269 VanDerWaalsContact CA-O 3.24Å; A26-L269 WeakPolarHBondContact CA-O 3.29Å; A26-I270 HydrophobicContact CB-CG1 4.5Å
27	W	93.6	Very high	91	Very high	12 Å²	12	71.8 Å²	71.8	5%	0.045	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	138.1	174.4	-55.6	93.3	0	0	0	109.4	R13 Y14 L15 D20 V21 E23 R24 R268 L269	R13-W27 HydrophobicContact CB-CE3 4.48Å; R13-W27 CarbonylContact O-C 3.59Å; R13-W27 VanDerWaalsContact O-CA 3.23Å; R13-W27 WeakPolarHBondContact O-CA 3.39Å; Y14-W27 VanDerWaalsContact C-CE3 3.43Å; Y14-W27 VanDerWaalsContact O-CZ3 3.29Å; Y14-W27 WeakPolarHBondContact O-CZ3 3.47Å; L15-W27 VanDerWaalsContact CA-CE3 3.46Å; L15-W27 HydrophobicContact CB-CB 4.09Å; L15-W27 HydrophobicContact CB-CD2 3.65Å; L15-W27 HydrophobicContact CB-CE3 3.66Å; L15-W27 HydrophobicContact CB-CG 3.83Å; L15-W27 HydrophobicContact CB-CZ3 4.27Å; L15-W27 HydrophobicContact CD1-CD2 3.89Å; L15-W27 HydrophobicContact CD1-CE3 4.06Å; L15-W27 HydrophobicContact CD1-CH2 3.81Å; L15-W27 HydrophobicContact CD1-CZ2 3.68Å; L15-W27 HydrophobicContact CD1-CZ3 4Å; L15-W27 HydrophobicContact CD2-CG 4.39Å; L15-W27 HydrophobicContact CG-CD2 4.23Å; L15-W27 HydrophobicContact CG-CE3 4.47Å; D20-W27 HydrophobicContact CB-CH2 4.45Å; D20-W27 WeakPolarHBondContact O-CZ2 3.26Å; V21-W27 PolarHBondContact O-NE1 3.04Å; E23-W27 HydrophobicContact CB-CZ2 4.42Å; R24-W27 HydrophobicContact CB-CD2 4.47Å; R24-W27 HydrophobicContact CB-CH2 4.31Å; R24-W27 HydrophobicContact CB-CZ2 3.76Å; R24-W27 HydrophobicContact CG-CH2 3.91Å; R24-W27 HydrophobicContact CG-CZ2 3.83Å; R24-W27 HydrophobicContact CG-CZ3 4.45Å; W27-R268 VanDerWaalsContact O-CA 3.31Å; W27-R268 WeakPolarHBondContact O-CA 3.39Å; W27-L269 HydrophobicContact CB-CB 4.28Å; W27-L269 PolarHBondContact N-O 3.49Å; W27-L269 PolarHBondContact O-N 2.92Å
28	D	92.2	Very high	91.4	Very high	7 Å²	7	71 Å²	71	4%	0.037	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	151.2	-176.1	-57.2	-51.4	0	0	0	110.7	G11 C12 R13 Y14 F30	G11-D28 WeakPolarHBondContact CA-OD2 3.44Å; G11-D28 PolarHBondContact N-OD2 2.78Å; C12-D28 PolarHBondContact N-OD2 3.06Å; R13-D28 WeakPolarHBondContact CB-OD2 3.3Å; R13-D28 IonicContact CZ-OD1 3.56Å; R13-D28 IonicContact CZ-OD2 2.84Å; R13-D28 PolarHBondContact N-OD2 2.92Å; R13-D28 VanDerWaalsContact N-OD2 3.09Å; R13-D28 IonicContact NE-OD1 2.7Å; R13-D28 IonicContact NE-OD2 3.61Å; R13-D28 PolarHBondContact NE-OD2 3.04Å; R13-D28 IonicContact NH2-OD1 2.69Å; R13-D28 PolarHBondContact NH2-OD1 3.21Å; R13-D28 IonicContact NH2-OD2 3.47Å; R13-D28 PolarHBondContact NH2-OD2 2.7Å; R13-D28 PolarHBondContact O-N 3.21Å; Y14-D28 WeakPolarHBondContact CD1-O 3.18Å; D28-F30 PolarHBondContact O-N 2.86Å
29	D	90.9	Very high	91.8	Very high	64 Å²	64	70.2 Å²	70.2	34%	0.342	34%	0.343	S	S	.	.	S	Bend	trans	48.5	38.6	-177	-160.5	29.7	0	0	0	114.7	Y14 R31 R267	Y14-D29 HydrophobicContact CD1-CB 4.28Å; Y14-D29 HydrophobicContact CE1-CB 3.99Å; D29-R31 PolarHBondContact O-N 3.49Å; D29-R31 VanDerWaalsContact O-N 3.1Å; D29-R267 WeakPolarHBondContact CA-O 3.31Å; D29-R267 PolarHBondContact N-O 2.84Å
30	F	91.1	Very high	92	Very high	38 Å²	38	66.4 Å²	66.4	17%	0.167	32%	0.316	C	S	.	.			trans	-69.5	110.2	-178.9	-173.9	-89.3	0	0	0	110.6	L15 D28 W32 R267 L269 Y280	L15-F30 HydrophobicContact CB-CD2 4.29Å; L15-F30 HydrophobicContact CD2-CD2 4.23Å; L15-F30 HydrophobicContact CD2-CE2 3.85Å; D28-F30 PolarHBondContact O-N 2.86Å; F30-W32 AromaticContact CD1-CD1 3.81Å; F30-W32 AromaticContact CE1-CD1 3.93Å; F30-R267 PolarHBondContact N-O 2.94Å; F30-R267 VanDerWaalsContact N-O 3.13Å; F30-R267 VanDerWaalsContact O-CB 3.3Å; F30-R267 WeakPolarHBondContact O-CB 3.32Å; F30-L269 HydrophobicContact CB-CB 3.82Å; F30-L269 HydrophobicContact CD1-CB 4.13Å; F30-L269 HydrophobicContact CD2-CB 3.95Å; F30-L269 HydrophobicContact CD2-CD2 3.77Å; F30-L269 HydrophobicContact CE2-CD2 3.73Å; F30-L269 HydrophobicContact CG-CB 3.66Å; F30-L269 HydrophobicContact CG-CD2 4.21Å; F30-L269 HydrophobicContact CZ-CD2 4.11Å; F30-Y280 AromaticContact CD1-CD1 3.83Å; F30-Y280 HydrophobicContact CD1-CD1 3.83Å; F30-Y280 AromaticContact CD1-CE1 3.8Å; F30-Y280 HydrophobicContact CD1-CE1 3.8Å; F30-Y280 AromaticContact CE1-CD1 3.88Å; F30-Y280 HydrophobicContact CE1-CD1 3.88Å; F30-Y280 AromaticContact CE1-CE1 3.39Å; F30-Y280 HydrophobicContact CE1-CE1 3.39Å; F30-Y280 HydrophobicContact CZ-CE1 4.08Å
31	R	87.7	Confident	92.3	Very high	177 Å²	177	68.7 Å²	68.7	67%	0.668	32%	0.324	S	S	*	.	P	Polyproline II helix	trans	-85.2	136.9	178.2	-61.1	-171.2	179.1	-167.6	0.4	110.8	D29	D29-R31 PolarHBondContact O-N 3.49Å; D29-R31 VanDerWaalsContact O-N 3.1Å
32	W	88.8	Confident	92.5	Very high	42 Å²	42	74.8 Å²	74.8	16%	0.159	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-82.7	151.8	176.6	-72.5	18.1	0	0	0	110.5	F30 Q36 A40 F215 L220 Y280 I282	F30-W32 AromaticContact CD1-CD1 3.81Å; F30-W32 AromaticContact CE1-CD1 3.93Å; W32-Q36 HydrophobicContact CB-CB 4.06Å; W32-Q36 HydrophobicContact CD2-CB 4.18Å; W32-Q36 HydrophobicContact CE3-CB 3.93Å; W32-Q36 HydrophobicContact CG-CB 4.27Å; W32-A40 HydrophobicContact CE3-CB 4.49Å; W32-A40 HydrophobicContact CH2-CB 4.18Å; W32-A40 HydrophobicContact CZ3-CB 3.49Å; W32-A40 VanDerWaalsContact CZ3-CB 3.49Å; W32-F215 HydrophobicContact CH2-CB 3.87Å; W32-F215 WeakPolarHBondContact CH2-O 3.33Å; W32-F215 HydrophobicContact CZ3-CB 3.98Å; W32-L220 HydrophobicContact CH2-CD1 3.84Å; W32-L220 HydrophobicContact CZ3-CD1 4.48Å; W32-Y280 AromaticContact CE2-CG 3.96Å; W32-Y280 HydrophobicContact CZ2-CD2 4.41Å; W32-Y280 AromaticContact CZ2-CG 3.93Å; W32-Y280 HydrophobicContact CZ2-CG 3.93Å; W32-Y280 AromaticContact NE1-CD1 3.48Å; W32-Y280 AromaticContact NE1-CG 3.67Å; W32-I282 HydrophobicContact CH2-CD1 4.45Å; W32-I282 HydrophobicContact CZ2-CD1 4.08Å
33	T	90.6	Very high	92.7	Very high	75 Å²	75	75.5 Å²	75.5	46%	0.46	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-69.6	159	163.4	58.4	0	0	0	0	110.2	E35 Q36 E37	T33-E35 PolarHBondContact O-N 2.83Å; T33-Q36 PolarHBondContact O-N 3.45Å; T33-Q36 VanDerWaalsContact OG1-CG 3.26Å; T33-Q36 WeakPolarHBondContact OG1-CG 2.95Å; T33-Q36 PolarHBondContact OG1-N 2.85Å; T33-Q36 PolarHBondContact OG1-OE1 2.8Å; T33-E37 PolarHBondContact O-N 2.92Å; T33-E37 VanDerWaalsContact O-N 3.07Å
34	E	92.8	Very high	93	Very high	151 Å²	151	70.3 Å²	70.3	71%	0.706	34%	0.335	S	S	*	.	H	α-helix	trans	-58.1	-38.2	174.1	-172.1	177.6	179.7	0	0	111.8	E37 N38	E34-E37 PolarHBondContact O-N 2.96Å; E34-N38 WeakPolarHBondContact O-CB 3.37Å; E34-N38 VanDerWaalsContact O-CG 3.28Å; E34-N38 PolarHBondContact O-N 2.83Å; E34-N38 PolarHBondContact O-ND2 2.79Å
35	E	94.3	Very high	93.3	Very high	148 Å²	148	72.9 Å²	72.9	69%	0.692	35%	0.353	S	S	*	.	H	α-helix	trans	-59.1	-48.9	174.9	-174.4	-175	176	0	0	111.9	T33 E37 N38 V39	T33-E35 PolarHBondContact O-N 2.83Å; E35-E37 VanDerWaalsContact C-N 3.27Å; E35-E37 PolarHBondContact O-N 2.92Å; E35-N38 PolarHBondContact O-N 2.8Å; E35-V39 WeakPolarHBondContact O-CG2 3.04Å; E35-V39 PolarHBondContact O-N 3.44Å
36	Q	92.7	Very high	93.4	Very high	53 Å²	53	73 Å²	73	25%	0.248	35%	0.354	C	S	.	.	H	α-helix	trans	-61.4	-38	177.3	-73.7	173.6	-72.3	0	0	112.1	W32 T33 A40 Y280	W32-Q36 HydrophobicContact CB-CB 4.06Å; W32-Q36 HydrophobicContact CD2-CB 4.18Å; W32-Q36 HydrophobicContact CE3-CB 3.93Å; W32-Q36 HydrophobicContact CG-CB 4.27Å; T33-Q36 PolarHBondContact O-N 3.45Å; T33-Q36 VanDerWaalsContact OG1-CG 3.26Å; T33-Q36 WeakPolarHBondContact OG1-CG 2.95Å; T33-Q36 PolarHBondContact OG1-N 2.85Å; T33-Q36 PolarHBondContact OG1-OE1 2.8Å; Q36-A40 WeakPolarHBondContact O-CB 3.33Å; Q36-A40 PolarHBondContact O-N 3.34Å; Q36-A40 VanDerWaalsContact O-N 3.1Å; Q36-Y280 PolarHBondContact NE2-OH 3.03Å
37	E	94.7	Very high	93.5	Very high	66 Å²	66	72.9 Å²	72.9	31%	0.308	35%	0.351	S	S	.	.	H	α-helix	trans	-67.5	-41.7	177.1	-164.3	-179	128.4	0	0	111.7	T33 E34 E35 A40 K41 F215	T33-E37 PolarHBondContact O-N 2.92Å; T33-E37 VanDerWaalsContact O-N 3.07Å; E34-E37 PolarHBondContact O-N 2.96Å; E35-E37 VanDerWaalsContact C-N 3.27Å; E35-E37 PolarHBondContact O-N 2.92Å; E37-A40 PolarHBondContact O-N 2.85Å; E37-K41 WeakPolarHBondContact O-CG 3.39Å; E37-K41 PolarHBondContact O-N 3.22Å; E37-K41 WeakPolarHBondContact OE1-CE 3.46Å; E37-K41 IonicContact OE1-NZ 2.9Å; E37-K41 PolarHBondContact OE1-NZ 2.78Å; E37-F215 HydrophobicContact CG-CE2 4.17Å; E37-F215 HydrophobicContact CG-CZ 4.46Å
38	N	97	Very high	93.5	Very high	66 Å²	66	73 Å²	73	35%	0.353	35%	0.354	S	S	.	.	H	α-helix	trans	-64.2	-44	176.9	-71	-21.2	0	0	0	111.8	E34 E35 A40 K41 E42	E34-N38 WeakPolarHBondContact O-CB 3.37Å; E34-N38 VanDerWaalsContact O-CG 3.28Å; E34-N38 PolarHBondContact O-N 2.83Å; E34-N38 PolarHBondContact O-ND2 2.79Å; E35-N38 PolarHBondContact O-N 2.8Å; N38-A40 VanDerWaalsContact C-N 3.27Å; N38-A40 PolarHBondContact O-N 3.1Å; N38-K41 WeakPolarHBondContact O-CB 3.38Å; N38-K41 PolarHBondContact O-N 2.87Å; N38-K41 VanDerWaalsContact O-N 3.15Å; N38-E42 WeakPolarHBondContact O-CG 3.42Å; N38-E42 PolarHBondContact O-N 3.28Å
39	V	96.2	Very high	93.5	Very high	61 Å²	61	77.3 Å²	77.3	37%	0.37	38%	0.38	S	S	.	.	H	α-helix	trans	-58.3	-40.6	173.5	171	0	0	0	0	111.3	E35 E42 M43	E35-V39 WeakPolarHBondContact O-CG2 3.04Å; E35-V39 PolarHBondContact O-N 3.44Å; V39-E42 PolarHBondContact O-N 3.09Å; V39-M43 HydrophobicContact CG1-CE 3.84Å; V39-M43 HydrophobicContact CG1-SD 4.42Å; V39-M43 WeakPolarHBondContact O-CG 3.41Å; V39-M43 PolarHBondContact O-N 2.68Å
40	A	96.3	Very high	93.6	Very high	2 Å²	2	78.2 Å²	78.2	2%	0.017	39%	0.388	C	S	.	.	H	α-helix	trans	-69.5	-35.5	177.7	0	0	0	0	0	113.5	W32 Q36 E37 N38 M43 I44 F215 L220	W32-A40 HydrophobicContact CE3-CB 4.49Å; W32-A40 HydrophobicContact CH2-CB 4.18Å; W32-A40 HydrophobicContact CZ3-CB 3.49Å; W32-A40 VanDerWaalsContact CZ3-CB 3.49Å; Q36-A40 WeakPolarHBondContact O-CB 3.33Å; Q36-A40 PolarHBondContact O-N 3.34Å; Q36-A40 VanDerWaalsContact O-N 3.1Å; E37-A40 PolarHBondContact O-N 2.85Å; N38-A40 VanDerWaalsContact C-N 3.27Å; N38-A40 PolarHBondContact O-N 3.1Å; A40-M43 PolarHBondContact O-N 3.29Å; A40-I44 WeakPolarHBondContact O-CG1 3.42Å; A40-I44 PolarHBondContact O-N 3.29Å; A40-F215 HydrophobicContact CB-CB 4.4Å; A40-F215 HydrophobicContact CB-CD1 3.84Å; A40-F215 HydrophobicContact CB-CE1 4.48Å; A40-F215 HydrophobicContact CB-CG 4.32Å; A40-L220 HydrophobicContact CB-CD1 3.89Å; A40-L220 HydrophobicContact CB-CD2 3.85Å
41	K	96.5	Very high	93.8	Very high	92 Å²	92	80.7 Å²	80.7	40%	0.4	40%	0.399	S	S	.	.	H	α-helix	trans	-60.8	-45.9	171.7	-72.2	168.3	-176.3	158.9	0	110.9	E37 N38 M43 I44 L45 F215	E37-K41 WeakPolarHBondContact O-CG 3.39Å; E37-K41 PolarHBondContact O-N 3.22Å; E37-K41 WeakPolarHBondContact OE1-CE 3.46Å; E37-K41 IonicContact OE1-NZ 2.9Å; E37-K41 PolarHBondContact OE1-NZ 2.78Å; N38-K41 WeakPolarHBondContact O-CB 3.38Å; N38-K41 PolarHBondContact O-N 2.87Å; N38-K41 VanDerWaalsContact O-N 3.15Å; K41-M43 PolarHBondContact O-N 2.91Å; K41-I44 PolarHBondContact O-N 2.98Å; K41-L45 WeakPolarHBondContact O-CB 3.35Å; K41-L45 PolarHBondContact O-N 3.32Å; K41-F215 HydrophobicContact CG-CE1 3.89Å; K41-F215 HydrophobicContact CG-CZ 3.93Å
42	E	95.9	Very high	94.1	Very high	134 Å²	134	74 Å²	74	63%	0.626	38%	0.376	S	S	*	.	H	α-helix	trans	-61	-43.5	175.8	-70.5	176.3	-177.9	0	0	112.3	N38 V39 I44 L45 L46	N38-E42 WeakPolarHBondContact O-CG 3.42Å; N38-E42 PolarHBondContact O-N 3.28Å; V39-E42 PolarHBondContact O-N 3.09Å; E42-I44 PolarHBondContact O-N 3.03Å; E42-L45 PolarHBondContact O-N 2.88Å; E42-L46 WeakPolarHBondContact O-CB 3.3Å; E42-L46 PolarHBondContact O-N 3.16Å
43	M	95.6	Very high	94.4	Very high	86 Å²	86	75.2 Å²	75.2	42%	0.424	39%	0.39	S	S	.	.	H	α-helix	trans	-62.3	-41.9	176.2	-74.3	-176.2	178.4	0	0	112.6	V39 A40 K41 L46 N47 L220	V39-M43 HydrophobicContact CG1-CE 3.84Å; V39-M43 HydrophobicContact CG1-SD 4.42Å; V39-M43 WeakPolarHBondContact O-CG 3.41Å; V39-M43 PolarHBondContact O-N 2.68Å; A40-M43 PolarHBondContact O-N 3.29Å; K41-M43 PolarHBondContact O-N 2.91Å; M43-L46 PolarHBondContact O-N 3.29Å; M43-N47 WeakPolarHBondContact O-CB 3.39Å; M43-N47 PolarHBondContact O-N 3.04Å; M43-N47 PolarHBondContact O-ND2 2.81Å; M43-N47 PolarHBondContact O-OD1 3.02Å; M43-L220 HydrophobicContact CB-CD2 4.3Å; M43-L220 HydrophobicContact SD-CB 4.35Å
44	I	95.5	Very high	94.6	Very high	17 Å²	17	77.7 Å²	77.7	9%	0.087	40%	0.401	C	S	.	.	H	α-helix	trans	-65	-44.4	176.5	-72.7	174.8	0	0	0	110.4	A40 K41 E42 L46 N47 S48 F215 Q219 L220	A40-I44 WeakPolarHBondContact O-CG1 3.42Å; A40-I44 PolarHBondContact O-N 3.29Å; K41-I44 PolarHBondContact O-N 2.98Å; E42-I44 PolarHBondContact O-N 3.03Å; I44-L46 VanDerWaalsContact C-N 3.31Å; I44-L46 PolarHBondContact O-N 3.37Å; I44-N47 PolarHBondContact O-N 3.38Å; I44-S48 VanDerWaalsContact O-CB 3.28Å; I44-S48 WeakPolarHBondContact O-CB 3.43Å; I44-S48 PolarHBondContact O-N 3.03Å; I44-S48 PolarHBondContact O-OG 3.44Å; I44-F215 HydrophobicContact CD1-CD1 3.35Å; I44-F215 HydrophobicContact CD1-CE1 3.59Å; I44-F215 HydrophobicContact CD1-CG 4.49Å; I44-Q219 VanDerWaalsContact CD1-CD 3.47Å; I44-Q219 HydrophobicContact CD1-CG 4.21Å; I44-Q219 HydrophobicContact CG1-CG 4.2Å; I44-L220 HydrophobicContact CD1-CD2 4.18Å; I44-L220 HydrophobicContact CG1-CD2 3.83Å
45	L	94.2	Very high	94.8	Very high	121 Å²	121	76.6 Å²	76.6	63%	0.634	40%	0.4	S	S	*	.	H	α-helix	trans	-57.6	-46.9	177.7	-179.8	63.5	0	0	0	110.8	K41 E42 S48 T49	K41-L45 WeakPolarHBondContact O-CB 3.35Å; K41-L45 PolarHBondContact O-N 3.32Å; E42-L45 PolarHBondContact O-N 2.88Å; L45-S48 PolarHBondContact O-N 3.3Å; L45-S48 PolarHBondContact O-OG 3.06Å; L45-T49 PolarHBondContact O-N 2.88Å; L45-T49 PolarHBondContact O-OG1 3.34Å
46	L	93.7	Very high	94.9	Very high	105 Å²	105	71.7 Å²	71.7	55%	0.55	38%	0.382	S	S	.	.	H	α-helix	trans	-60.7	-51	177	-175.1	65.6	0	0	0	111.6	E42 M43 I44 S48 T49 N224	E42-L46 WeakPolarHBondContact O-CB 3.3Å; E42-L46 PolarHBondContact O-N 3.16Å; M43-L46 PolarHBondContact O-N 3.29Å; I44-L46 VanDerWaalsContact C-N 3.31Å; I44-L46 PolarHBondContact O-N 3.37Å; L46-S48 PolarHBondContact O-N 3.04Å; L46-T49 WeakPolarHBondContact O-CB 3.32Å; L46-T49 PolarHBondContact O-N 2.87Å; L46-T49 PolarHBondContact O-OG1 3.42Å; L46-N224 PolarHBondContact O-OD1 2.68Å
47	N	92.5	Very high	95	Very high	13 Å²	13	70.5 Å²	70.5	7%	0.07	38%	0.377	C	S	.	.	H	α-helix	trans	-70	-16.2	-176.4	-63.9	-13.9	0	0	0	113.4	M43 I44 L220 F222 C227	M43-N47 WeakPolarHBondContact O-CB 3.39Å; M43-N47 PolarHBondContact O-N 3.04Å; M43-N47 PolarHBondContact O-ND2 2.81Å; M43-N47 PolarHBondContact O-OD1 3.02Å; I44-N47 PolarHBondContact O-N 3.38Å; N47-L220 PolarHBondContact ND2-O 3.1Å; N47-F222 PolarHBondContact ND2-O 3.11Å; N47-F222 PolarHBondContact OD1-O 3.2Å; N47-C227 WeakPolarHBondContact O-CB 3.48Å
48	S	93.4	Very high	95.1	Very high	16 Å²	16	73.3 Å²	73.3	11%	0.112	39%	0.39	C	S	.	.	H	α-helix	trans	-106.9	2.4	178.3	62.7	0	0	0	0	114.4	I44 L45 L46 V50	I44-S48 VanDerWaalsContact O-CB 3.28Å; I44-S48 WeakPolarHBondContact O-CB 3.43Å; I44-S48 PolarHBondContact O-N 3.03Å; I44-S48 PolarHBondContact O-OG 3.44Å; L45-S48 PolarHBondContact O-N 3.3Å; L45-S48 PolarHBondContact O-OG 3.06Å; L46-S48 PolarHBondContact O-N 3.04Å; S48-V50 VanDerWaalsContact C-N 3.33Å; S48-V50 PolarHBondContact O-N 3.33Å
49	T	92.8	Very high	95.1	Very high	96 Å²	96	78.4 Å²	78.4	59%	0.589	40%	0.404	S	S	*	.	S	Bend	trans	-62	-40.7	-179.6	-64.6	0	0	0	0	111.8	L45 L46	L45-T49 PolarHBondContact O-N 2.88Å; L45-T49 PolarHBondContact O-OG1 3.34Å; L46-T49 WeakPolarHBondContact O-CB 3.32Å; L46-T49 PolarHBondContact O-N 2.87Å; L46-T49 PolarHBondContact O-OG1 3.42Å
50	V	92.4	Very high	95.1	Very high	83 Å²	83	76.1 Å²	76.1	50%	0.503	39%	0.389	S	S	.	.	S	Bend	trans	-113.4	113.3	177.1	-177.9	0	0	0	0	108.7	S48	S48-V50 VanDerWaalsContact C-N 3.33Å; S48-V50 PolarHBondContact O-N 3.33Å
51	K	95.7	Very high	95.1	Very high	91 Å²	91	78.5 Å²	78.5	40%	0.396	40%	0.4	S	S	.	.	B	Isolated β-bridge	trans	-92.4	152.1	173	-65.3	179	173	74.4	0	110.5	C227 D230	K51-C227 CarbonylContact C-O 3.58Å; K51-C227 WeakPolarHBondContact CA-O 3.45Å; K51-C227 HydrophobicContact CG-CB 4.47Å; K51-D230 WeakPolarHBondContact CE-OD1 3.2Å; K51-D230 IonicContact NZ-OD1 2.7Å; K51-D230 PolarHBondContact NZ-OD1 2.97Å
52	L	94.8	Very high	95	Very high	37 Å²	37	79.5 Å²	79.5	19%	0.194	41%	0.409	C	S	.	.	P	Polyproline II helix	trans	-64.9	148.2	172.5	-75.3	168.2	0	0	0	110.8	Q57 I60 C227 L228 M234	L52-Q57 HydrophobicContact CB-CG 4.21Å; L52-Q57 PolarHBondContact O-NE2 3.3Å; L52-I60 HydrophobicContact CD1-CD1 4.05Å; L52-C227 PolarHBondContact N-O 3.31Å; L52-L228 HydrophobicContact CB-CD2 4.45Å; L52-L228 HydrophobicContact CD1-CD2 3.59Å; L52-M234 HydrophobicContact CD1-CE 4.09Å
53	S	95.4	Very high	95.1	Very high	66 Å²	66	74.6 Å²	74.6	46%	0.462	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-62.2	155.1	177.6	65.3	0	0	0	0	111.8	D55 S56 Q57	S53-D55 VanDerWaalsContact C-N 3.32Å; S53-D55 PolarHBondContact O-N 3.07Å; S53-S56 WeakPolarHBondContact O-CB 3.42Å; S53-S56 PolarHBondContact O-N 3.39Å; S53-S56 PolarHBondContact OG-N 3.09Å; S53-S56 PolarHBondContact OG-OG 3.4Å; S53-Q57 WeakPolarHBondContact O-CG 3.41Å; S53-Q57 PolarHBondContact O-N 3.26Å
54	D	95.2	Very high	95.1	Very high	127 Å²	127	70.8 Å²	70.8	68%	0.679	37%	0.369	S	S	*	.	H	α-helix	trans	-57.3	-44	179.3	-64.2	-21	0	0	0	111.7	S56 Q57 E58	D54-S56 VanDerWaalsContact C-N 3.26Å; D54-S56 PolarHBondContact O-N 3.23Å; D54-Q57 CarbonylContact O-C 3.6Å; D54-Q57 WeakPolarHBondContact O-CB 3.34Å; D54-Q57 PolarHBondContact O-N 2.77Å; D54-E58 PolarHBondContact O-N 2.9Å
55	D	96.6	Very high	95	Very high	128 Å²	128	73 Å²	73	68%	0.684	38%	0.379	S	S	*	.	H	α-helix	trans	-56.6	-39.4	174.7	-60.7	-12.3	0	0	0	112.8	S53 R59	S53-D55 VanDerWaalsContact C-N 3.32Å; S53-D55 PolarHBondContact O-N 3.07Å; D55-R59 WeakPolarHBondContact O-CB 3.05Å; D55-R59 PolarHBondContact O-N 2.91Å
56	S	94.8	Very high	95.1	Very high	46 Å²	46	72 Å²	72	32%	0.322	37%	0.371	S	S	.	.	H	α-helix	trans	-68.9	-42	177.6	-59.6	0	0	0	0	110.4	S53 D54 R59 I60	S53-S56 WeakPolarHBondContact O-CB 3.42Å; S53-S56 PolarHBondContact O-N 3.39Å; S53-S56 PolarHBondContact OG-N 3.09Å; S53-S56 PolarHBondContact OG-OG 3.4Å; D54-S56 VanDerWaalsContact C-N 3.26Å; D54-S56 PolarHBondContact O-N 3.23Å; S56-R59 PolarHBondContact O-N 2.74Å; S56-I60 WeakPolarHBondContact O-CB 3.31Å; S56-I60 VanDerWaalsContact O-CD1 3.26Å; S56-I60 WeakPolarHBondContact O-CD1 3.39Å; S56-I60 WeakPolarHBondContact O-CG1 3.4Å; S56-I60 PolarHBondContact O-N 2.82Å
57	Q	96.6	Very high	95.3	Very high	28 Å²	28	69.6 Å²	69.6	13%	0.131	36%	0.355	C	S	.	.	H	α-helix	trans	-65.3	-42.3	178.2	-67.4	-172.9	58.5	0	0	111.9	L52 S53 D54 I60 E61 L228	L52-Q57 HydrophobicContact CB-CG 4.21Å; L52-Q57 PolarHBondContact O-NE2 3.3Å; S53-Q57 WeakPolarHBondContact O-CG 3.41Å; S53-Q57 PolarHBondContact O-N 3.26Å; D54-Q57 CarbonylContact O-C 3.6Å; D54-Q57 WeakPolarHBondContact O-CB 3.34Å; D54-Q57 PolarHBondContact O-N 2.77Å; Q57-I60 PolarHBondContact O-N 2.96Å; Q57-E61 PolarHBondContact O-N 3.16Å; Q57-L228 HydrophobicContact CG-CB 4.49Å; Q57-L228 HydrophobicContact CG-CD2 3.94Å; Q57-L228 PolarHBondContact NE2-O 3.49Å; Q57-L228 PolarHBondContact OE1-O 3.02Å
58	E	96.1	Very high	95.6	Very high	125 Å²	125	71.3 Å²	71.3	58%	0.584	36%	0.36	S	S	*	.	H	α-helix	trans	-61.8	-46.5	176	-176.9	175.1	-164.3	0	0	111	D54 I60 E61 I62	D54-E58 PolarHBondContact O-N 2.9Å; E58-I60 VanDerWaalsContact C-N 3.29Å; E58-I60 PolarHBondContact O-N 2.85Å; E58-E61 WeakPolarHBondContact O-CB 3.4Å; E58-E61 PolarHBondContact O-N 3.34Å; E58-E61 VanDerWaalsContact O-N 3.15Å; E58-I62 HydrophobicContact CG-CD1 4.13Å; E58-I62 WeakPolarHBondContact O-CG1 3.5Å; E58-I62 PolarHBondContact O-N 3.35Å
59	R	96.4	Very high	95.8	Very high	173 Å²	173	72.2 Å²	72.2	65%	0.653	36%	0.364	S	S	*	.	H	α-helix	trans	-58.8	-42.1	174.9	-176.9	177.9	179	-174	1.5	112.1	D55 S56 E61 I62 L63	D55-R59 WeakPolarHBondContact O-CB 3.05Å; D55-R59 PolarHBondContact O-N 2.91Å; S56-R59 PolarHBondContact O-N 2.74Å; R59-E61 VanDerWaalsContact C-N 3.34Å; R59-I62 PolarHBondContact O-N 2.95Å; R59-L63 HydrophobicContact CG-CD1 3.9Å; R59-L63 WeakPolarHBondContact O-CG 3.45Å; R59-L63 PolarHBondContact O-N 2.95Å; R59-L63 VanDerWaalsContact O-N 3.1Å
60	I	96.1	Very high	96	Very high	12 Å²	12	73.3 Å²	73.3	6%	0.062	36%	0.361	C	S	.	.	H	α-helix	trans	-64.7	-39.2	177.5	-70.6	160.2	0	0	0	111.1	L52 S56 Q57 E58 L63 A64 Y67 L228 M234 R240	L52-I60 HydrophobicContact CD1-CD1 4.05Å; S56-I60 WeakPolarHBondContact O-CB 3.31Å; S56-I60 VanDerWaalsContact O-CD1 3.26Å; S56-I60 WeakPolarHBondContact O-CD1 3.39Å; S56-I60 WeakPolarHBondContact O-CG1 3.4Å; S56-I60 PolarHBondContact O-N 2.82Å; Q57-I60 PolarHBondContact O-N 2.96Å; E58-I60 VanDerWaalsContact C-N 3.29Å; E58-I60 PolarHBondContact O-N 2.85Å; I60-L63 PolarHBondContact O-N 2.71Å; I60-A64 PolarHBondContact O-N 2.82Å; I60-A64 VanDerWaalsContact O-N 3.11Å; I60-Y67 HydrophobicContact CG2-CE2 4.39Å; I60-L228 HydrophobicContact CD1-CD2 3.71Å; I60-M234 HydrophobicContact CD1-CE 4.13Å; I60-M234 HydrophobicContact CD1-SD 3.39Å; I60-M234 WeakPolarHBondContact CD1-SD 3.42Å; I60-M234 HydrophobicContact CG1-SD 3.82Å; I60-M234 HydrophobicContact CG2-SD 4.37Å; I60-R240 HydrophobicContact CG2-CG 4.27Å
61	E	96.2	Very high	96.3	Very high	53 Å²	53	69.9 Å²	69.9	25%	0.248	34%	0.339	C	S	.	.	H	α-helix	trans	-61.8	-46.5	175.9	-169	70.6	-121.2	0	0	111.4	Q57 E58 R59 L63 A64 N186 R240	Q57-E61 PolarHBondContact O-N 3.16Å; E58-E61 WeakPolarHBondContact O-CB 3.4Å; E58-E61 PolarHBondContact O-N 3.34Å; E58-E61 VanDerWaalsContact O-N 3.15Å; R59-E61 VanDerWaalsContact C-N 3.34Å; E61-L63 VanDerWaalsContact C-N 3.33Å; E61-L63 PolarHBondContact O-N 3.39Å; E61-A64 VanDerWaalsContact O-CB 3.29Å; E61-A64 WeakPolarHBondContact O-CB 3.49Å; E61-A64 PolarHBondContact O-N 2.89Å; E61-N186 VanDerWaalsContact OE2-CB 3.3Å; E61-N186 WeakPolarHBondContact OE2-CB 3.32Å; E61-N186 PolarHBondContact OE2-ND2 3.22Å; E61-R240 IonicContact OE1-CZ 3.12Å; E61-R240 IonicContact OE1-NH1 2.78Å; E61-R240 PolarHBondContact OE1-NH1 3.32Å; E61-R240 IonicContact OE1-NH2 3.68Å; E61-R240 PolarHBondContact OE1-NH2 2.88Å; E61-R240 IonicContact OE2-CZ 3.02Å; E61-R240 IonicContact OE2-NH1 3.34Å; E61-R240 PolarHBondContact OE2-NH1 2.9Å; E61-R240 IonicContact OE2-NH2 3.66Å
62	I	95.8	Very high	96.4	Very high	112 Å²	112	66.2 Å²	66.2	57%	0.574	32%	0.323	S	S	*	.	H	α-helix	trans	-61.1	-42.9	179.5	-67.6	166.3	0	0	0	111.1	E58 R59 A64 H65	E58-I62 HydrophobicContact CG-CD1 4.13Å; E58-I62 WeakPolarHBondContact O-CG1 3.5Å; E58-I62 PolarHBondContact O-N 3.35Å; R59-I62 PolarHBondContact O-N 2.95Å; I62-A64 VanDerWaalsContact C-N 3.31Å; I62-A64 PolarHBondContact O-N 3Å; I62-H65 PolarHBondContact O-ND1 2.62Å
63	L	96.2	Very high	96.5	Very high	32 Å²	32	67.5 Å²	67.5	17%	0.168	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	6.4	-176.6	-59.8	176	0	0	0	113.8	R59 I60 E61 H65 E66 Y67	R59-L63 HydrophobicContact CG-CD1 3.9Å; R59-L63 WeakPolarHBondContact O-CG 3.45Å; R59-L63 PolarHBondContact O-N 2.95Å; R59-L63 VanDerWaalsContact O-N 3.1Å; I60-L63 PolarHBondContact O-N 2.71Å; E61-L63 VanDerWaalsContact C-N 3.33Å; E61-L63 PolarHBondContact O-N 3.39Å; L63-H65 VanDerWaalsContact C-N 3.26Å; L63-H65 PolarHBondContact O-N 2.95Å; L63-E66 VanDerWaalsContact CD2-OE1 3.29Å; L63-E66 WeakPolarHBondContact CD2-OE1 3.39Å; L63-E66 WeakPolarHBondContact O-CB 3.46Å; L63-E66 PolarHBondContact O-N 3.24Å; L63-E66 VanDerWaalsContact O-N 3.07Å; L63-Y67 HydrophobicContact CB-CD2 4.42Å; L63-Y67 HydrophobicContact CB-CE2 3.83Å; L63-Y67 VanDerWaalsContact O-CD2 3.31Å; L63-Y67 WeakPolarHBondContact O-CD2 3.34Å; L63-Y67 PolarHBondContact O-N 2.85Å
64	A	96.3	Very high	96.5	Very high	6 Å²	6	70.2 Å²	70.2	5%	0.05	34%	0.34	C	S	.	.	H	α-helix	trans	-58.2	-36.1	-172.2	0	0	0	0	0	113.4	I60 E61 I62 W68 F133	I60-A64 PolarHBondContact O-N 2.82Å; I60-A64 VanDerWaalsContact O-N 3.11Å; E61-A64 VanDerWaalsContact O-CB 3.29Å; E61-A64 WeakPolarHBondContact O-CB 3.49Å; E61-A64 PolarHBondContact O-N 2.89Å; I62-A64 VanDerWaalsContact C-N 3.31Å; I62-A64 PolarHBondContact O-N 3Å; A64-W68 VanDerWaalsContact O-CD1 3.31Å; A64-W68 PolarHBondContact O-N 2.77Å; A64-F133 HydrophobicContact CB-CE1 3.77Å; A64-F133 HydrophobicContact CB-CZ 4.45Å
65	H	94.1	Very high	96.5	Very high	64 Å²	64	67 Å²	67	30%	0.296	32%	0.321	S	S	.	.	H	α-helix	trans	-66.2	-43.9	176.4	69	-73	0	0	0	112.1	I62 L63 Y67 W68 D69 F133	I62-H65 PolarHBondContact O-ND1 2.62Å; L63-H65 VanDerWaalsContact C-N 3.26Å; L63-H65 PolarHBondContact O-N 2.95Å; H65-Y67 VanDerWaalsContact C-N 3.27Å; H65-Y67 PolarHBondContact O-N 2.91Å; H65-W68 PolarHBondContact O-N 2.98Å; H65-D69 PolarHBondContact O-N 2.77Å; H65-F133 VanDerWaalsContact CA-CE1 3.47Å; H65-F133 HydrophobicContact CB-CD1 4.06Å; H65-F133 HydrophobicContact CB-CD2 3.98Å; H65-F133 HydrophobicContact CB-CE1 3.69Å; H65-F133 HydrophobicContact CB-CE2 3.58Å; H65-F133 HydrophobicContact CB-CG 4.22Å; H65-F133 HydrophobicContact CB-CZ 3.46Å; H65-F133 VanDerWaalsContact CB-CZ 3.46Å
66	E	96.8	Very high	96.5	Very high	100 Å²	100	65 Å²	65	47%	0.467	31%	0.307	S	S	.	.	H	α-helix	trans	-61.6	-36	-179.9	-58.7	-175.4	-162.7	0	0	111.7	L63 W68 D69 K70	L63-E66 VanDerWaalsContact CD2-OE1 3.29Å; L63-E66 WeakPolarHBondContact CD2-OE1 3.39Å; L63-E66 WeakPolarHBondContact O-CB 3.46Å; L63-E66 PolarHBondContact O-N 3.24Å; L63-E66 VanDerWaalsContact O-N 3.07Å; E66-W68 VanDerWaalsContact C-N 3.33Å; E66-W68 PolarHBondContact O-N 2.83Å; E66-D69 PolarHBondContact O-N 2.92Å; E66-K70 WeakPolarHBondContact O-CB 3.38Å; E66-K70 PolarHBondContact O-N 2.85Å
67	Y	97.8	Very high	96.4	Very high	54 Å²	54	67 Å²	67	21%	0.212	32%	0.315	C	S	.	.	H	α-helix	trans	-64.5	-38.1	175.9	-65	-50.5	0	0	0	112.2	I60 L63 H65 F71 G238	I60-Y67 HydrophobicContact CG2-CE2 4.39Å; L63-Y67 HydrophobicContact CB-CD2 4.42Å; L63-Y67 HydrophobicContact CB-CE2 3.83Å; L63-Y67 VanDerWaalsContact O-CD2 3.31Å; L63-Y67 WeakPolarHBondContact O-CD2 3.34Å; L63-Y67 PolarHBondContact O-N 2.85Å; H65-Y67 VanDerWaalsContact C-N 3.27Å; H65-Y67 PolarHBondContact O-N 2.91Å; Y67-F71 VanDerWaalsContact O-CB 3.29Å; Y67-F71 WeakPolarHBondContact O-CB 3.46Å; Y67-F71 PolarHBondContact O-N 2.86Å; Y67-G238 WeakPolarHBondContact CD2-O 3.3Å
68	W	97.9	Very high	96.2	Very high	49 Å²	49	74 Å²	74	19%	0.186	34%	0.34	C	S	.	.	H	α-helix	trans	-72.1	-42.5	175.3	-74.9	114.5	0	0	0	112.3	A64 H65 E66 K70 F71 Y72 A184 T239	A64-W68 VanDerWaalsContact O-CD1 3.31Å; A64-W68 PolarHBondContact O-N 2.77Å; H65-W68 PolarHBondContact O-N 2.98Å; E66-W68 VanDerWaalsContact C-N 3.33Å; E66-W68 PolarHBondContact O-N 2.83Å; W68-K70 VanDerWaalsContact C-N 3.32Å; W68-K70 PolarHBondContact O-N 2.8Å; W68-F71 HydrophobicContact CE3-CB 4.43Å; W68-F71 HydrophobicContact CE3-CD1 4.24Å; W68-F71 HydrophobicContact CE3-CG 4.39Å; W68-F71 HydrophobicContact CZ3-CD1 4.3Å; W68-F71 WeakPolarHBondContact O-CB 2.99Å; W68-F71 PolarHBondContact O-N 2.79Å; W68-F71 VanDerWaalsContact O-N 3.15Å; W68-Y72 AromaticContact CE3-CE2 3.96Å; W68-Y72 HydrophobicContact CE3-CE2 3.96Å; W68-Y72 VanDerWaalsContact O-CD2 3.23Å; W68-Y72 WeakPolarHBondContact O-CD2 3.38Å; W68-Y72 PolarHBondContact O-N 2.93Å; W68-A184 HydrophobicContact CZ2-CB 3.83Å; W68-T239 HydrophobicContact CD2-CG2 3.87Å; W68-T239 HydrophobicContact CE3-CG2 3.87Å; W68-T239 HydrophobicContact CG-CG2 4.48Å; W68-T239 HydrophobicContact CH2-CG2 4.15Å; W68-T239 HydrophobicContact CZ2-CG2 4.14Å; W68-T239 HydrophobicContact CZ3-CG2 4.02Å
69	D	97.5	Very high	96.1	Very high	35 Å²	35	73.3 Å²	73.3	19%	0.187	34%	0.335	C	S	.	.	H	α-helix	trans	-61.1	-42.3	174.4	-77.4	-28.5	0	0	0	111.9	H65 E66 Y72 S73 S134 E135 K136	H65-D69 PolarHBondContact O-N 2.77Å; E66-D69 PolarHBondContact O-N 2.92Å; D69-Y72 PolarHBondContact O-N 2.91Å; D69-S73 VanDerWaalsContact O-CB 3.29Å; D69-S73 WeakPolarHBondContact O-CB 3.46Å; D69-S73 PolarHBondContact O-N 2.67Å; D69-S73 PolarHBondContact O-OG 3.12Å; D69-S134 WeakPolarHBondContact OD1-CA 3.38Å; D69-S134 VanDerWaalsContact OD1-CB 3.25Å; D69-S134 WeakPolarHBondContact OD1-CB 3.35Å; D69-S134 PolarHBondContact OD1-OG 2.76Å; D69-E135 PolarHBondContact OD1-N 2.98Å; D69-K136 HydrophobicContact CB-CB 4.3Å; D69-K136 WeakPolarHBondContact OD1-CB 3.47Å; D69-K136 PolarHBondContact OD1-N 2.66Å; D69-K136 VanDerWaalsContact OD1-N 3.1Å
70	K	97.8	Very high	96	Very high	119 Å²	119	67.8 Å²	67.8	52%	0.517	32%	0.316	S	S	.	.	H	α-helix	trans	-61	-47.2	173	-173.9	179.3	-179.4	179.2	0	110.4	E66 W68 Y72 S73 H74	E66-K70 WeakPolarHBondContact O-CB 3.38Å; E66-K70 PolarHBondContact O-N 2.85Å; W68-K70 VanDerWaalsContact C-N 3.32Å; W68-K70 PolarHBondContact O-N 2.8Å; K70-Y72 PolarHBondContact O-N 3.2Å; K70-S73 PolarHBondContact O-N 3.02Å; K70-H74 VanDerWaalsContact CG-CE1 3.46Å; K70-H74 WeakPolarHBondContact CG-CE1 3.29Å; K70-H74 PolarHBondContact O-N 2.83Å; K70-H74 VanDerWaalsContact O-N 3.13Å; K70-H74 PolarHBondContact O-ND1 3.16Å
71	F	97.8	Very high	95.9	Very high	10 Å²	10	76 Å²	76	4%	0.044	35%	0.351	C	S	.	.	H	α-helix	trans	-55.1	-51.2	178.6	175.1	-86.7	0	0	0	111.4	Y67 W68 H74 H75 F79 F80 T239	Y67-F71 VanDerWaalsContact O-CB 3.29Å; Y67-F71 WeakPolarHBondContact O-CB 3.46Å; Y67-F71 PolarHBondContact O-N 2.86Å; W68-F71 HydrophobicContact CE3-CB 4.43Å; W68-F71 HydrophobicContact CE3-CD1 4.24Å; W68-F71 HydrophobicContact CE3-CG 4.39Å; W68-F71 HydrophobicContact CZ3-CD1 4.3Å; W68-F71 WeakPolarHBondContact O-CB 2.99Å; W68-F71 PolarHBondContact O-N 2.79Å; W68-F71 VanDerWaalsContact O-N 3.15Å; F71-H74 PolarHBondContact O-N 3.5Å; F71-H75 AromaticContact CD2-CE1 3.66Å; F71-H75 AromaticContact CD2-ND1 3.45Å; F71-H75 WeakPolarHBondContact CD2-ND1 3.06Å; F71-H75 HydrophobicContact CE1-CB 4.46Å; F71-H75 AromaticContact CE2-CE1 3.6Å; F71-H75 AromaticContact CE2-ND1 3.46Å; F71-H75 WeakPolarHBondContact CE2-ND1 3.29Å; F71-H75 AromaticContact CG-ND1 3.77Å; F71-H75 AromaticContact CZ-ND1 3.8Å; F71-H75 WeakPolarHBondContact O-CB 3.36Å; F71-H75 PolarHBondContact O-N 3.39Å; F71-H75 PolarHBondContact O-ND1 3.1Å; F71-F79 HydrophobicContact CE1-CD1 4.48Å; F71-F79 HydrophobicContact CE2-CD1 4.34Å; F71-F79 HydrophobicContact CE2-CD2 4.31Å; F71-F79 HydrophobicContact CE2-CE1 4.22Å; F71-F79 HydrophobicContact CE2-CE2 4.19Å; F71-F79 HydrophobicContact CE2-CG 4.37Å; F71-F79 HydrophobicContact CE2-CZ 4.13Å; F71-F79 HydrophobicContact CZ-CB 4.2Å; F71-F79 AromaticContact CZ-CD1 3.55Å; F71-F79 HydrophobicContact CZ-CD1 3.55Å; F71-F79 HydrophobicContact CZ-CD2 4.07Å; F71-F79 AromaticContact CZ-CE1 3.79Å; F71-F79 HydrophobicContact CZ-CE1 3.79Å; F71-F79 HydrophobicContact CZ-CE2 4.28Å; F71-F79 AromaticContact CZ-CG 3.68Å; F71-F79 HydrophobicContact CZ-CG 3.68Å; F71-F79 HydrophobicContact CZ-CZ 4.14Å; F71-F80 HydrophobicContact CE1-CD2 4.41Å; F71-F80 AromaticContact CE1-CE2 3.7Å; F71-F80 HydrophobicContact CE1-CE2 3.7Å; F71-F80 HydrophobicContact CE1-CZ 4.45Å; F71-F80 AromaticContact CZ-CE2 3.71Å; F71-F80 HydrophobicContact CZ-CE2 3.71Å; F71-F80 HydrophobicContact CZ-CZ 4.05Å; F71-T239 HydrophobicContact CB-CG2 4.42Å
72	Y	97.7	Very high	95.9	Very high	14 Å²	14	75.6 Å²	75.6	6%	0.055	35%	0.35	C	S	.	.	H	α-helix	trans	-73.6	-26	-179.3	-72.5	-69.2	0	0	0	113.5	W68 D69 K70 H74 E76 G109 V110 A137	W68-Y72 AromaticContact CE3-CE2 3.96Å; W68-Y72 HydrophobicContact CE3-CE2 3.96Å; W68-Y72 VanDerWaalsContact O-CD2 3.23Å; W68-Y72 WeakPolarHBondContact O-CD2 3.38Å; W68-Y72 PolarHBondContact O-N 2.93Å; D69-Y72 PolarHBondContact O-N 2.91Å; K70-Y72 PolarHBondContact O-N 3.2Å; Y72-H74 VanDerWaalsContact C-N 3.3Å; Y72-H74 PolarHBondContact O-N 2.9Å; Y72-E76 VanDerWaalsContact O-CA 3.29Å; Y72-E76 WeakPolarHBondContact O-CA 3.46Å; Y72-E76 PolarHBondContact O-N 2.78Å; Y72-G109 WeakPolarHBondContact OH-CA 3.3Å; Y72-V110 HydrophobicContact CD1-CG1 3.62Å; Y72-V110 HydrophobicContact CE1-CG1 3.74Å; Y72-V110 HydrophobicContact CE1-CG2 4.39Å; Y72-A137 HydrophobicContact CD1-CB 4.23Å; Y72-A137 HydrophobicContact CD2-CB 3.47Å; Y72-A137 VanDerWaalsContact CD2-CB 3.47Å; Y72-A137 HydrophobicContact CE1-CB 4.35Å; Y72-A137 HydrophobicContact CE2-CB 3.6Å; Y72-A137 HydrophobicContact CG-CB 3.79Å
73	S	97.1	Very high	95.9	Very high	64 Å²	64	71.7 Å²	71.7	45%	0.448	33%	0.328	S	S	.	.	H	α-helix	trans	-64.3	-34.9	171.1	-62.8	0	0	0	0	112.6	D69 K70	D69-S73 VanDerWaalsContact O-CB 3.29Å; D69-S73 WeakPolarHBondContact O-CB 3.46Å; D69-S73 PolarHBondContact O-N 2.67Å; D69-S73 PolarHBondContact O-OG 3.12Å; K70-S73 PolarHBondContact O-N 3.02Å
74	H	96.3	Very high	95.5	Very high	123 Å²	123	75.8 Å²	75.8	57%	0.569	35%	0.351	S	S	*	.	H	α-helix	trans	-83.8	-35.6	179.3	-70.4	83.9	0	0	0	112.8	K70 F71 Y72	K70-H74 VanDerWaalsContact CG-CE1 3.46Å; K70-H74 WeakPolarHBondContact CG-CE1 3.29Å; K70-H74 PolarHBondContact O-N 2.83Å; K70-H74 VanDerWaalsContact O-N 3.13Å; K70-H74 PolarHBondContact O-ND1 3.16Å; F71-H74 PolarHBondContact O-N 3.5Å; Y72-H74 VanDerWaalsContact C-N 3.3Å; Y72-H74 PolarHBondContact O-N 2.9Å
75	H	95.3	Very high	95.3	Very high	61 Å²	61	77.5 Å²	77.5	28%	0.282	36%	0.356	S	S	.	.	H	α-helix	trans	-102.6	-22.4	-169.3	-67	109	0	0	0	114.6	F71 D77 R78 F79	F71-H75 AromaticContact CD2-CE1 3.66Å; F71-H75 AromaticContact CD2-ND1 3.45Å; F71-H75 WeakPolarHBondContact CD2-ND1 3.06Å; F71-H75 HydrophobicContact CE1-CB 4.46Å; F71-H75 AromaticContact CE2-CE1 3.6Å; F71-H75 AromaticContact CE2-ND1 3.46Å; F71-H75 WeakPolarHBondContact CE2-ND1 3.29Å; F71-H75 AromaticContact CG-ND1 3.77Å; F71-H75 AromaticContact CZ-ND1 3.8Å; F71-H75 WeakPolarHBondContact O-CB 3.36Å; F71-H75 PolarHBondContact O-N 3.39Å; F71-H75 PolarHBondContact O-ND1 3.1Å; H75-D77 PolarHBondContact O-N 2.96Å; H75-R78 PolarHBondContact O-N 3.47Å; H75-R78 VanDerWaalsContact O-N 3.11Å; H75-F79 HydrophobicContact CB-CB 3.8Å; H75-F79 AromaticContact CD2-CD2 3.41Å; H75-F79 VanDerWaalsContact CD2-CD2 3.41Å; H75-F79 WeakPolarHBondContact CD2-CD2 3.25Å; H75-F79 AromaticContact CG-CD2 3.91Å; H75-F79 AromaticContact NE2-CD2 3.64Å; H75-F79 AromaticContact NE2-CE2 3.93Å
76	E	95	Very high	95.4	Very high	86 Å²	86	74.5 Å²	74.5	40%	0.402	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	51	-129.5	-174.5	-59	165.4	158.5	0	0	111.1	Y72 R78	Y72-E76 VanDerWaalsContact O-CA 3.29Å; Y72-E76 WeakPolarHBondContact O-CA 3.46Å; Y72-E76 PolarHBondContact O-N 2.78Å; E76-R78 IonicContact OE2-CZ 3.19Å; E76-R78 VanDerWaalsContact OE2-CZ 3.31Å; E76-R78 IonicContact OE2-NE 3.63Å; E76-R78 PolarHBondContact OE2-NE 2.84Å; E76-R78 IonicContact OE2-NH2 2.67Å; E76-R78 PolarHBondContact OE2-NH2 3.05Å
77	D	93.4	Very high	95.1	Very high	88 Å²	88	75.1 Å²	75.1	47%	0.471	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	4.6	179	70	-22.8	0	0	0	114	H75 V110 I140	H75-D77 PolarHBondContact O-N 2.96Å; D77-V110 HydrophobicContact CB-CG2 4.46Å; D77-I140 HydrophobicContact CB-CG2 4.21Å
78	R	93.5	Very high	94.8	Very high	175 Å²	175	78.9 Å²	78.9	66%	0.66	36%	0.362	S	S	*	.	S	Bend	trans	-93.1	-17.7	-165.2	-62.6	178.8	-79.5	166.1	-5.2	114.5	H75 E76	H75-R78 PolarHBondContact O-N 3.47Å; H75-R78 VanDerWaalsContact O-N 3.11Å; E76-R78 IonicContact OE2-CZ 3.19Å; E76-R78 VanDerWaalsContact OE2-CZ 3.31Å; E76-R78 IonicContact OE2-NE 3.63Å; E76-R78 PolarHBondContact OE2-NE 2.84Å; E76-R78 IonicContact OE2-NH2 2.67Å; E76-R78 PolarHBondContact OE2-NH2 3.05Å
79	F	93.6	Very high	94.6	Very high	109 Å²	109	77.6 Å²	77.6	48%	0.478	36%	0.358	S	S	.	.	S	Bend	trans	-79.3	-48.4	-172.5	-173.7	-84	0	0	0	113	F71 H75	F71-F79 HydrophobicContact CE1-CD1 4.48Å; F71-F79 HydrophobicContact CE2-CD1 4.34Å; F71-F79 HydrophobicContact CE2-CD2 4.31Å; F71-F79 HydrophobicContact CE2-CE1 4.22Å; F71-F79 HydrophobicContact CE2-CE2 4.19Å; F71-F79 HydrophobicContact CE2-CG 4.37Å; F71-F79 HydrophobicContact CE2-CZ 4.13Å; F71-F79 HydrophobicContact CZ-CB 4.2Å; F71-F79 AromaticContact CZ-CD1 3.55Å; F71-F79 HydrophobicContact CZ-CD1 3.55Å; F71-F79 HydrophobicContact CZ-CD2 4.07Å; F71-F79 AromaticContact CZ-CE1 3.79Å; F71-F79 HydrophobicContact CZ-CE1 3.79Å; F71-F79 HydrophobicContact CZ-CE2 4.28Å; F71-F79 AromaticContact CZ-CG 3.68Å; F71-F79 HydrophobicContact CZ-CG 3.68Å; F71-F79 HydrophobicContact CZ-CZ 4.14Å; H75-F79 HydrophobicContact CB-CB 3.8Å; H75-F79 AromaticContact CD2-CD2 3.41Å; H75-F79 VanDerWaalsContact CD2-CD2 3.41Å; H75-F79 WeakPolarHBondContact CD2-CD2 3.25Å; H75-F79 AromaticContact CG-CD2 3.91Å; H75-F79 AromaticContact NE2-CD2 3.64Å; H75-F79 AromaticContact NE2-CE2 3.93Å
80	F	93.3	Very high	94.5	Very high	58 Å²	58	75.9 Å²	75.9	25%	0.254	35%	0.349	S	S	.	.	S	Bend	trans	-97.3	140	178.3	-64.1	-64.2	0	0	0	110.5	F71 N112	F71-F80 HydrophobicContact CE1-CD2 4.41Å; F71-F80 AromaticContact CE1-CE2 3.7Å; F71-F80 HydrophobicContact CE1-CE2 3.7Å; F71-F80 HydrophobicContact CE1-CZ 4.45Å; F71-F80 AromaticContact CZ-CE2 3.71Å; F71-F80 HydrophobicContact CZ-CE2 3.71Å; F71-F80 HydrophobicContact CZ-CZ 4.05Å; F80-N112 VanDerWaalsContact CB-OD1 3.26Å; F80-N112 WeakPolarHBondContact CB-OD1 3.23Å; F80-N112 PolarHBondContact O-ND2 2.91Å; F80-N112 VanDerWaalsContact O-ND2 3.15Å
81	K	94.6	Very high	94.3	Very high	185 Å²	185	77.4 Å²	77.4	80%	0.804	35%	0.353	S	S	*	.	P	Polyproline II helix	trans	-90.1	152.9	172	-63.7	-173.9	178.6	-175	0	110.1	R83	K81-R83 PolarHBondContact O-N 3.01Å
82	D	96.4	Very high	94.1	Very high	44 Å²	44	79.5 Å²	79.5	24%	0.235	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-49.6	133.8	167.2	-79.1	11.1	0	0	0	111.6	N84 N112 P116 R119	D82-N84 PolarHBondContact O-N 2.87Å; D82-N112 WeakPolarHBondContact CA-O 3.31Å; D82-N112 PolarHBondContact N-ND2 3.07Å; D82-N112 PolarHBondContact OD1-ND2 2.76Å; D82-P116 HydrophobicContact CB-CG 4.07Å; D82-R119 IonicContact OD2-CZ 2.79Å; D82-R119 VanDerWaalsContact OD2-CZ 3.26Å; D82-R119 IonicContact OD2-NH1 2.98Å; D82-R119 PolarHBondContact OD2-NH1 3.42Å; D82-R119 IonicContact OD2-NH2 2.68Å; D82-R119 PolarHBondContact OD2-NH2 3.05Å
83	R	95.1	Very high	93.9	Very high	29 Å²	29	78.9 Å²	78.9	11%	0.109	36%	0.361	C	S	.	.			trans	-80.4	65.1	-172.7	-54.5	-59.1	-179.3	64.6	-2.2	110.4	K81 W85 L86 N112	K81-R83 PolarHBondContact O-N 3.01Å; R83-W85 HydrophobicContact CB-CD2 4.48Å; R83-W85 HydrophobicContact CB-CZ2 3.91Å; R83-W85 HydrophobicContact CG-CZ2 4.01Å; R83-W85 PolarHBondContact O-N 2.76Å; R83-L86 WeakPolarHBondContact O-CB 3.46Å; R83-L86 PolarHBondContact O-N 2.85Å; R83-N112 HydrophobicContact CG-CB 4.36Å; R83-N112 WeakPolarHBondContact CG-O 3.07Å; R83-N112 PolarHBondContact N-O 2.84Å
84	N	89.4	Confident	93.8	Very high	119 Å²	119	77.8 Å²	77.8	64%	0.636	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-5.5	-178.9	-62.7	-41.8	0	0	0	114.4	D82 L86	D82-N84 PolarHBondContact O-N 2.87Å; N84-L86 VanDerWaalsContact C-N 3.33Å
85	W	92	Very high	93.6	Very high	41 Å²	41	73.8 Å²	73.8	16%	0.155	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-11.8	169.6	53	-102	0	0	0	112.8	F10 R83 E87 K88 E89 F90 V179 F180 R210	F10-W85 HydrophobicContact CE1-CB 4.33Å; F10-W85 HydrophobicContact CE2-CB 4.47Å; F10-W85 HydrophobicContact CZ-CB 3.8Å; R83-W85 HydrophobicContact CB-CD2 4.48Å; R83-W85 HydrophobicContact CB-CZ2 3.91Å; R83-W85 HydrophobicContact CG-CZ2 4.01Å; R83-W85 PolarHBondContact O-N 2.76Å; W85-E87 PolarHBondContact O-N 3.41Å; W85-K88 PolarHBondContact O-N 3.01Å; W85-E89 HydrophobicContact CE3-CB 4.07Å; W85-E89 VanDerWaalsContact CE3-CD 3.44Å; W85-E89 HydrophobicContact CE3-CG 4Å; W85-E89 HydrophobicContact CZ3-CB 4.4Å; W85-E89 WeakPolarHBondContact CZ3-OE2 3.4Å; W85-E89 PolarHBondContact O-N 2.96Å; W85-E89 VanDerWaalsContact O-N 3.09Å; W85-F90 HydrophobicContact CZ3-CE2 4.19Å; W85-V179 HydrophobicContact CH2-CG1 3.77Å; W85-V179 HydrophobicContact CH2-CG2 4.46Å; W85-V179 HydrophobicContact CZ2-CG1 4.11Å; W85-F180 HydrophobicContact CZ2-CE2 4.41Å; W85-R210 HydrophobicContact CH2-CB 4.4Å; W85-R210 HydrophobicContact CH2-CG 4.41Å
86	L	94.5	Very high	93.3	Very high	1 Å²	1	73 Å²	73	1%	0.005	34%	0.335	C	S	.	.	H	α-helix	trans	-57	-45.8	-172.4	-161.8	73.9	0	0	0	112.3	R83 N84 K88 E89 F90 L93 F94 T113 I117	R83-L86 WeakPolarHBondContact O-CB 3.46Å; R83-L86 PolarHBondContact O-N 2.85Å; N84-L86 VanDerWaalsContact C-N 3.33Å; L86-K88 PolarHBondContact O-N 2.79Å; L86-E89 PolarHBondContact O-N 3.2Å; L86-F90 HydrophobicContact CD1-CD2 3.45Å; L86-F90 VanDerWaalsContact CD1-CD2 3.45Å; L86-F90 HydrophobicContact CD1-CE2 3.94Å; L86-F90 HydrophobicContact CG-CD2 4.21Å; L86-F90 CarbonylContact O-C 3.57Å; L86-F90 WeakPolarHBondContact O-CA 3.27Å; L86-F90 WeakPolarHBondContact O-CB 3.23Å; L86-F90 PolarHBondContact O-N 3.36Å; L86-L93 HydrophobicContact CD2-CD1 4.05Å; L86-L93 HydrophobicContact CG-CD1 4.13Å; L86-F94 HydrophobicContact CB-CE2 4.27Å; L86-F94 HydrophobicContact CB-CZ 4.21Å; L86-F94 HydrophobicContact CD2-CE2 4.16Å; L86-F94 HydrophobicContact CD2-CZ 3.87Å; L86-F94 HydrophobicContact CG-CE2 4.05Å; L86-F94 HydrophobicContact CG-CZ 4.16Å; L86-T113 HydrophobicContact CD1-CG2 3.87Å; L86-T113 HydrophobicContact CD2-CG2 3.42Å; L86-T113 VanDerWaalsContact CD2-CG2 3.42Å; L86-T113 HydrophobicContact CG-CG2 4.33Å; L86-I117 HydrophobicContact CD2-CD1 3.87Å; L86-I117 HydrophobicContact CD2-CG1 3.67Å
87	E	92.2	Very high	92.8	Very high	114 Å²	114	75.9 Å²	75.9	53%	0.533	36%	0.359	S	S	.	.	H	α-helix	trans	-62.4	-31.8	179.3	-173.1	179.1	-174.3	0	0	113	W85 Y91 F94	W85-E87 PolarHBondContact O-N 3.41Å; E87-Y91 VanDerWaalsContact O-CA 3.26Å; E87-Y91 WeakPolarHBondContact O-CA 3.42Å; E87-Y91 PolarHBondContact O-N 3.47Å; E87-F94 HydrophobicContact CB-CD2 3.92Å; E87-F94 HydrophobicContact CB-CE1 4.42Å; E87-F94 HydrophobicContact CB-CE2 3.84Å; E87-F94 HydrophobicContact CB-CG 4.26Å; E87-F94 HydrophobicContact CB-CZ 4.07Å; E87-F94 HydrophobicContact CG-CB 4.26Å; E87-F94 HydrophobicContact CG-CD1 4.35Å; E87-F94 HydrophobicContact CG-CD2 3.95Å; E87-F94 HydrophobicContact CG-CE2 4.38Å; E87-F94 HydrophobicContact CG-CG 3.93Å
88	K	91.1	Very high	92.6	Very high	132 Å²	132	73.7 Å²	73.7	57%	0.574	35%	0.35	S	S	*	.	H	α-helix	trans	-77.9	-37.7	178.9	-63.3	-178.3	-179.1	178.4	0	112.2	F10 W85 L86	F10-K88 HydrophobicContact CB-CD 4.14Å; F10-K88 HydrophobicContact CD1-CD 3.64Å; F10-K88 HydrophobicContact CE1-CD 4.28Å; F10-K88 HydrophobicContact CG-CD 4.12Å; W85-K88 PolarHBondContact O-N 3.01Å; L86-K88 PolarHBondContact O-N 2.79Å
89	E	93.1	Very high	92.5	Very high	22 Å²	22	70.7 Å²	70.7	10%	0.103	35%	0.353	C	S	.	.	H	α-helix	trans	-89.3	-32.7	-174.8	-64.2	-174.1	-172.4	0	0	112.4	W85 L86 R210 R268 Q285 K287	W85-E89 HydrophobicContact CE3-CB 4.07Å; W85-E89 VanDerWaalsContact CE3-CD 3.44Å; W85-E89 HydrophobicContact CE3-CG 4Å; W85-E89 HydrophobicContact CZ3-CB 4.4Å; W85-E89 WeakPolarHBondContact CZ3-OE2 3.4Å; W85-E89 PolarHBondContact O-N 2.96Å; W85-E89 VanDerWaalsContact O-N 3.09Å; L86-E89 PolarHBondContact O-N 3.2Å; E89-R210 IonicContact OE1-CZ 3.64Å; E89-R210 IonicContact OE1-NH1 3.47Å; E89-R210 PolarHBondContact OE1-NH1 3.45Å; E89-R210 WeakPolarHBondContact OE2-CD 3.48Å; E89-R210 IonicContact OE2-CZ 3.25Å; E89-R210 IonicContact OE2-NE 3.73Å; E89-R210 IonicContact OE2-NH1 3.26Å; E89-R210 PolarHBondContact OE2-NH1 2.54Å; E89-R268 IonicContact OE1-NH2 2.77Å; E89-R268 PolarHBondContact OE1-NH2 3.48Å; E89-Q285 PolarHBondContact O-NE2 2.82Å; E89-K287 WeakPolarHBondContact O-CE 3.46Å; E89-K287 PolarHBondContact O-NZ 2.99Å; E89-K287 VanDerWaalsContact O-NZ 3.1Å
90	F	95.6	Very high	92.5	Very high	0 Å²	0	67.8 Å²	67.8	0%	0	35%	0.346	C	S	.	.			trans	-126.2	53.6	-178.8	-57.4	-35.4	0	0	0	110.8	W85 L86 E92 L93 F94 V179 L208 R210 Q285	W85-F90 HydrophobicContact CZ3-CE2 4.19Å; L86-F90 HydrophobicContact CD1-CD2 3.45Å; L86-F90 VanDerWaalsContact CD1-CD2 3.45Å; L86-F90 HydrophobicContact CD1-CE2 3.94Å; L86-F90 HydrophobicContact CG-CD2 4.21Å; L86-F90 CarbonylContact O-C 3.57Å; L86-F90 WeakPolarHBondContact O-CA 3.27Å; L86-F90 WeakPolarHBondContact O-CB 3.23Å; L86-F90 PolarHBondContact O-N 3.36Å; F90-E92 PolarHBondContact O-N 2.92Å; F90-L93 HydrophobicContact CB-CD1 3.76Å; F90-L93 HydrophobicContact CB-CG 4.21Å; F90-L93 HydrophobicContact CD2-CD1 4.26Å; F90-L93 HydrophobicContact CG-CD1 4.46Å; F90-L93 WeakPolarHBondContact O-CB 3.41Å; F90-L93 PolarHBondContact O-N 2.84Å; F90-F94 WeakPolarHBondContact O-CD2 3.33Å; F90-V179 HydrophobicContact CE2-CG2 4Å; F90-L208 HydrophobicContact CB-CD1 4.04Å; F90-L208 HydrophobicContact CB-CD2 4.46Å; F90-L208 HydrophobicContact CD1-CB 4.14Å; F90-L208 HydrophobicContact CD1-CD2 3.81Å; F90-L208 HydrophobicContact CD1-CG 4.39Å; F90-L208 HydrophobicContact CD2-CB 4.14Å; F90-L208 HydrophobicContact CD2-CD1 4.38Å; F90-L208 HydrophobicContact CE1-CB 4.05Å; F90-L208 HydrophobicContact CE1-CD2 4.28Å; F90-L208 HydrophobicContact CE2-CB 4.1Å; F90-L208 HydrophobicContact CG-CB 4.2Å; F90-L208 HydrophobicContact CG-CD1 4.11Å; F90-L208 HydrophobicContact CG-CD2 4.2Å; F90-L208 HydrophobicContact CG-CG 4.41Å; F90-L208 HydrophobicContact CZ-CB 4.06Å; F90-R210 HydrophobicContact CZ-CB 4.12Å; F90-Q285 HydrophobicContact CE1-CG 3.62Å; F90-Q285 VanDerWaalsContact CE1-NE2 3.31Å; F90-Q285 HydrophobicContact CZ-CG 4.03Å
91	Y	94.4	Very high	92.7	Very high	150 Å²	150	65.2 Å²	65.2	59%	0.588	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.2	-31.9	176.9	159	-98.6	0	0	0	113.7	E87 L93 F94 S95	E87-Y91 VanDerWaalsContact O-CA 3.26Å; E87-Y91 WeakPolarHBondContact O-CA 3.42Å; E87-Y91 PolarHBondContact O-N 3.47Å; Y91-L93 PolarHBondContact O-N 3.08Å; Y91-F94 PolarHBondContact O-N 2.82Å; Y91-S95 WeakPolarHBondContact CD1-OG 3.44Å; Y91-S95 WeakPolarHBondContact CE1-OG 3.49Å; Y91-S95 VanDerWaalsContact CE2-CB 3.44Å; Y91-S95 VanDerWaalsContact CZ-OG 3.28Å; Y91-S95 WeakPolarHBondContact O-CB 3.34Å; Y91-S95 PolarHBondContact O-N 2.93Å; Y91-S95 VanDerWaalsContact O-N 3.11Å; Y91-S95 PolarHBondContact O-OG 2.81Å; Y91-S95 VanDerWaalsContact OH-CB 3.3Å; Y91-S95 WeakPolarHBondContact OH-CB 3.29Å
92	E	93	Very high	92.9	Very high	55 Å²	55	58.6 Å²	58.6	26%	0.257	31%	0.307	S	S	.	.	H	α-helix	trans	-59.3	-32.4	179.7	-59.6	89.7	156.4	0	0	112.7	F90 F94 S95 F175 K287	F90-E92 PolarHBondContact O-N 2.92Å; E92-F94 PolarHBondContact O-N 3.3Å; E92-S95 WeakPolarHBondContact CA-OG 3.37Å; E92-F175 HydrophobicContact CB-CE1 3.8Å; E92-F175 HydrophobicContact CB-CZ 4.03Å; E92-F175 VanDerWaalsContact O-CZ 3.24Å; E92-F175 WeakPolarHBondContact O-CZ 3.35Å; E92-K287 VanDerWaalsContact OE1-CD 3.31Å; E92-K287 WeakPolarHBondContact OE1-CD 3.32Å; E92-K287 WeakPolarHBondContact OE1-CE 3.43Å; E92-K287 IonicContact OE1-NZ 3.04Å; E92-K287 PolarHBondContact OE1-NZ 3.47Å; E92-K287 WeakPolarHBondContact OE2-CE 3.35Å; E92-K287 IonicContact OE2-NZ 3.34Å; E92-K287 PolarHBondContact OE2-NZ 3.26Å
93	L	93.5	Very high	93	Very high	1 Å²	1	56.6 Å²	56.6	1%	0.005	30%	0.297	C	S	.	.	H	α-helix	trans	-60.4	-34.6	174.3	-73.1	170.1	0	0	0	111.9	L86 F90 Y91 I103 I117 I121 F175 V177 L208	L86-L93 HydrophobicContact CD2-CD1 4.05Å; L86-L93 HydrophobicContact CG-CD1 4.13Å; F90-L93 HydrophobicContact CB-CD1 3.76Å; F90-L93 HydrophobicContact CB-CG 4.21Å; F90-L93 HydrophobicContact CD2-CD1 4.26Å; F90-L93 HydrophobicContact CG-CD1 4.46Å; F90-L93 WeakPolarHBondContact O-CB 3.41Å; F90-L93 PolarHBondContact O-N 2.84Å; Y91-L93 PolarHBondContact O-N 3.08Å; L93-I103 HydrophobicContact CD2-CD1 3.89Å; L93-I103 HydrophobicContact CD2-CG1 4.28Å; L93-I103 HydrophobicContact CD2-CG2 4.34Å; L93-I117 HydrophobicContact CD1-CD1 4.47Å; L93-I121 WeakPolarHBondContact O-CD1 3.42Å; L93-F175 HydrophobicContact CD2-CB 3.63Å; L93-F175 HydrophobicContact CD2-CD1 4.03Å; L93-F175 HydrophobicContact CD2-CD2 3.72Å; L93-F175 HydrophobicContact CD2-CE2 4.37Å; L93-F175 HydrophobicContact CD2-CG 3.52Å; L93-V177 HydrophobicContact CD1-CG2 4.36Å; L93-V177 HydrophobicContact CD2-CG2 4.19Å; L93-L208 HydrophobicContact CD1-CD1 3.67Å; L93-L208 HydrophobicContact CD2-CD1 3.61Å; L93-L208 HydrophobicContact CG-CD1 3.4Å; L93-L208 VanDerWaalsContact CG-CD1 3.4Å
94	F	94.5	Very high	93.2	Very high	41 Å²	41	55.2 Å²	55.2	18%	0.18	29%	0.291	C	S	.	.	H	α-helix	trans	-102.1	-9.2	-168.9	-59.4	-90.3	0	0	0	113.4	L86 E87 F90 Y91 E92 I117 A120 I121	L86-F94 HydrophobicContact CB-CE2 4.27Å; L86-F94 HydrophobicContact CB-CZ 4.21Å; L86-F94 HydrophobicContact CD2-CE2 4.16Å; L86-F94 HydrophobicContact CD2-CZ 3.87Å; L86-F94 HydrophobicContact CG-CE2 4.05Å; L86-F94 HydrophobicContact CG-CZ 4.16Å; E87-F94 HydrophobicContact CB-CD2 3.92Å; E87-F94 HydrophobicContact CB-CE1 4.42Å; E87-F94 HydrophobicContact CB-CE2 3.84Å; E87-F94 HydrophobicContact CB-CG 4.26Å; E87-F94 HydrophobicContact CB-CZ 4.07Å; E87-F94 HydrophobicContact CG-CB 4.26Å; E87-F94 HydrophobicContact CG-CD1 4.35Å; E87-F94 HydrophobicContact CG-CD2 3.95Å; E87-F94 HydrophobicContact CG-CE2 4.38Å; E87-F94 HydrophobicContact CG-CG 3.93Å; F90-F94 WeakPolarHBondContact O-CD2 3.33Å; Y91-F94 PolarHBondContact O-N 2.82Å; E92-F94 PolarHBondContact O-N 3.3Å; F94-I117 HydrophobicContact CE1-CG1 4.5Å; F94-I117 HydrophobicContact CZ-CG1 4.22Å; F94-A120 HydrophobicContact CD1-CB 3.51Å; F94-A120 HydrophobicContact CE1-CB 3.57Å; F94-I121 HydrophobicContact CD1-CG1 4.21Å
95	S	92.9	Very high	93.6	Very high	38 Å²	38	49.7 Å²	49.7	27%	0.266	26%	0.262	S	S	.	.	H	α-helix	trans	-113.5	3.2	-174.4	53.8	0	0	0	0	114.1	Y91 E92 T97	Y91-S95 WeakPolarHBondContact CD1-OG 3.44Å; Y91-S95 WeakPolarHBondContact CE1-OG 3.49Å; Y91-S95 VanDerWaalsContact CE2-CB 3.44Å; Y91-S95 VanDerWaalsContact CZ-OG 3.28Å; Y91-S95 WeakPolarHBondContact O-CB 3.34Å; Y91-S95 PolarHBondContact O-N 2.93Å; Y91-S95 VanDerWaalsContact O-N 3.11Å; Y91-S95 PolarHBondContact O-OG 2.81Å; Y91-S95 VanDerWaalsContact OH-CB 3.3Å; Y91-S95 WeakPolarHBondContact OH-CB 3.29Å; E92-S95 WeakPolarHBondContact CA-OG 3.37Å; S95-T97 PolarHBondContact O-N 3Å
96	S	88.2	Confident	93.9	Very high	46 Å²	46	47.8 Å²	47.8	32%	0.322	26%	0.255	S	S	.	.			trans	-56.8	124.6	174.6	-177.6	0	0	0	0	110.8	S98 V101	S96-S98 VanDerWaalsContact C-N 3.27Å; S96-S98 WeakPolarHBondContact OG-CB 3.31Å; S96-S98 PolarHBondContact OG-N 2.93Å; S96-V101 WeakPolarHBondContact OG-CG2 3.3Å
97	T	85.5	Confident	94.1	Very high	146 Å²	146	48.7 Å²	48.7	90%	0.896	26%	0.264	S	S	*	.			trans	-88	0.3	173.9	60.2	0	0	0	0	112.2	S95	S95-T97 PolarHBondContact O-N 3Å
98	S	89	Confident	94.4	Very high	42 Å²	42	43.6 Å²	43.6	29%	0.294	24%	0.241	S	C	.	.			trans	-67.4	137.3	179.9	-175.9	0	0	0	0	110.4	S96 S100	S96-S98 VanDerWaalsContact C-N 3.27Å; S96-S98 WeakPolarHBondContact OG-CB 3.31Å; S96-S98 PolarHBondContact OG-N 2.93Å; S98-S100 WeakPolarHBondContact CB-O 2.95Å; S98-S100 PolarHBondContact O-N 3.15Å; S98-S100 PolarHBondContact OG-N 3.22Å; S98-S100 PolarHBondContact OG-O 2.73Å
99	P	90.1	Very high	94.7	Very high	112 Å²	112	37.4 Å²	37.4	73%	0.727	21%	0.214	S	C	*	.	S	Bend	trans	-62.9	-24.2	175.3	26.2	-34.5	0	0	0	112.4	S123 G125	P99-S123 PolarHBondContact O-OG 3.01Å; P99-G125 WeakPolarHBondContact O-CA 3.28Å
100	S	94.8	Very high	95	Very high	47 Å²	47	36.5 Å²	36.5	33%	0.329	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	134.6	175.6	169.6	0	0	0	0	110.2	S98 H102 G125	S98-S100 WeakPolarHBondContact CB-O 2.95Å; S98-S100 PolarHBondContact O-N 3.15Å; S98-S100 PolarHBondContact OG-N 3.22Å; S98-S100 PolarHBondContact OG-O 2.73Å; S100-H102 PolarHBondContact OG-CD2 3.34Å; S100-H102 PolarHBondContact OG-NE2 3.13Å; S100-H102 VanDerWaalsContact OG-NE2 3.13Å; S100-G125 CarbonylContact C-O 3.59Å; S100-G125 VanDerWaalsContact CA-O 3.3Å; S100-G125 WeakPolarHBondContact CA-O 3.35Å; S100-G125 PolarHBondContact OG-O 2.79Å
101	V	97.1	Very high	95.1	Very high	5 Å²	5	36.5 Å²	36.5	3%	0.03	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	115.9	-179.3	-175.9	0	0	0	0	108.3	S96 I103 G125 L126 L127 D174 F175	S96-V101 WeakPolarHBondContact OG-CG2 3.3Å; V101-I103 HydrophobicContact CG1-CD1 4.29Å; V101-I103 HydrophobicContact CG1-CG1 4.05Å; V101-G125 PolarHBondContact N-O 3.03Å; V101-L126 HydrophobicContact CB-CD1 4.36Å; V101-L126 WeakPolarHBondContact O-CA 3.43Å; V101-L127 PolarHBondContact O-N 3.47Å; V101-D174 WeakPolarHBondContact CA-OD2 3.39Å; V101-D174 HydrophobicContact CG1-CB 4.33Å; V101-F175 HydrophobicContact CG1-CD2 4.07Å; V101-F175 HydrophobicContact CG1-CE2 4.07Å
102	H	98.3	Very high	95.3	Very high	46 Å²	46	30 Å²	30	21%	0.213	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	120.9	-179.8	-66.8	180	0	0	0	110.3	S100 L127 Y129 L173 D174 F175	S100-H102 PolarHBondContact OG-CD2 3.34Å; S100-H102 PolarHBondContact OG-NE2 3.13Å; S100-H102 VanDerWaalsContact OG-NE2 3.13Å; H102-L127 WeakPolarHBondContact CA-O 3.45Å; H102-Y129 HydrophobicContact CB-CE2 4.48Å; H102-L173 HydrophobicContact CB-CD2 4.26Å; H102-D174 PolarHBondContact N-OD2 2.88Å; H102-D174 WeakPolarHBondContact O-CB 3.24Å; H102-D174 PolarHBondContact O-N 2.75Å; H102-F175 PolarHBondContact O-N 3.3Å
103	I	98.5	Very high	95.5	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.005	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	136.4	-176.3	-54.8	171.8	0	0	0	108	L93 V101 I117 I121 L126 L127 I128 Y129 F175 V177	L93-I103 HydrophobicContact CD2-CD1 3.89Å; L93-I103 HydrophobicContact CD2-CG1 4.28Å; L93-I103 HydrophobicContact CD2-CG2 4.34Å; V101-I103 HydrophobicContact CG1-CD1 4.29Å; V101-I103 HydrophobicContact CG1-CG1 4.05Å; I103-I117 HydrophobicContact CD1-CD1 4.49Å; I103-I117 HydrophobicContact CD1-CG2 3.94Å; I103-I121 HydrophobicContact CD1-CD1 4.39Å; I103-L126 HydrophobicContact CD1-CD1 3.72Å; I103-L126 HydrophobicContact CG1-CD1 4.32Å; I103-L127 PolarHBondContact N-O 3.15Å; I103-I128 CarbonylContact O-C 3.51Å; I103-I128 VanDerWaalsContact O-CA 3.31Å; I103-I128 WeakPolarHBondContact O-CA 3.48Å; I103-Y129 PolarHBondContact O-N 3.1Å; I103-F175 CarbonylContact C-O 3.42Å; I103-F175 WeakPolarHBondContact CA-O 3.26Å; I103-F175 HydrophobicContact CG1-CB 4.28Å; I103-F175 HydrophobicContact CG1-CD2 4.21Å; I103-F175 HydrophobicContact CG2-CB 4.29Å; I103-V177 HydrophobicContact CG2-CG2 3.83Å
104	M	98.8	Very high	95.7	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	123.6	162.5	-173.9	163.6	69.4	0	0	109.5	V106 Y129 F155 I166 C168 L173 F175 L176 V177 L197 Y200	M104-V106 HydrophobicContact CE-CG2 4.04Å; M104-V106 HydrophobicContact CG-CG2 4.16Å; M104-Y129 CarbonylContact C-O 3.55Å; M104-Y129 VanDerWaalsContact CA-O 3.3Å; M104-Y129 WeakPolarHBondContact CA-O 3.4Å; M104-F155 HydrophobicContact SD-CZ 4.38Å; M104-I166 HydrophobicContact SD-CD1 4.11Å; M104-C168 HydrophobicContact SD-CB 4.49Å; M104-L173 HydrophobicContact CB-CD1 3.4Å; M104-L173 HydrophobicContact CB-CD2 3.92Å; M104-L173 HydrophobicContact CB-CG 4.31Å; M104-L173 HydrophobicContact CE-CD1 3.83Å; M104-L173 HydrophobicContact CG-CD1 4.4Å; M104-L173 HydrophobicContact SD-CD1 4.28Å; M104-F175 PolarHBondContact N-O 3.41Å; M104-L176 HydrophobicContact CB-CD1 4.16Å; M104-L176 HydrophobicContact CE-CD1 3.44Å; M104-L176 VanDerWaalsContact CE-CD1 3.44Å; M104-L176 HydrophobicContact CG-CD1 4.39Å; M104-V177 PolarHBondContact O-N 3.15Å; M104-L197 HydrophobicContact CE-CD2 3.98Å; M104-Y200 HydrophobicContact CE-CD2 4.14Å; M104-Y200 HydrophobicContact CE-CG 4.38Å
105	E	98.8	Very high	95.9	Very high	4 Å²	4	26.4 Å²	26.4	2%	0.019	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	122.8	163.8	-174	178.5	-160.6	0	0	109.3	C108 T113 I114 Y129 S131 V177	E105-C108 HydrophobicContact CB-CB 4.19Å; E105-C108 HydrophobicContact CG-CB 3.92Å; E105-T113 WeakPolarHBondContact OE1-CB 3.26Å; E105-T113 WeakPolarHBondContact OE1-CG2 3.33Å; E105-T113 PolarHBondContact OE1-OG1 3.03Å; E105-T113 WeakPolarHBondContact OE2-CB 3.24Å; E105-I114 WeakPolarHBondContact OE2-CG1 3.15Å; E105-Y129 PolarHBondContact N-O 2.92Å; E105-S131 PolarHBondContact O-N 3.33Å; E105-S131 PolarHBondContact O-OG 3.02Å; E105-V177 HydrophobicContact CB-CB 4.4Å; E105-V177 HydrophobicContact CG-CB 4.42Å; E105-V177 HydrophobicContact CG-CG1 4.32Å
106	V	98.8	Very high	96.1	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.006	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	130.6	175.2	-174.1	0	0	0	0	108.7	M104 I159 L176 V177 L178 V181 L197	M104-V106 HydrophobicContact CE-CG2 4.04Å; M104-V106 HydrophobicContact CG-CG2 4.16Å; V106-I159 HydrophobicContact CG1-CB 4.32Å; V106-I159 HydrophobicContact CG1-CD1 3.87Å; V106-I159 HydrophobicContact CG1-CG2 3.27Å; V106-L176 HydrophobicContact CG2-CD1 3.78Å; V106-V177 PolarHBondContact N-O 2.97Å; V106-L178 HydrophobicContact CB-CD2 3.53Å; V106-L178 HydrophobicContact CG1-CD2 4.24Å; V106-L178 HydrophobicContact CG2-CD2 3.64Å; V106-V181 HydrophobicContact CB-CG1 4.48Å; V106-V181 HydrophobicContact CG1-CG2 4.17Å; V106-V181 WeakPolarHBondContact O-CG1 3.06Å; V106-L197 HydrophobicContact CG2-CD2 4.03Å
107	G	98.5	Very high	96.5	Very high	20 Å²	20	23 Å²	23	21%	0.206	15%	0.146	C	C	.	.	S	Bend	trans	69.6	45.7	-171.9	0	0	0	0	0	111.6	G109 S131 D132	G107-G109 PolarHBondContact O-N 3.21Å; G107-S131 WeakPolarHBondContact CA-O 3.3Å; G107-S131 PolarHBondContact N-O 3.42Å; G107-D132 VanDerWaalsContact CA-OD2 3.27Å; G107-D132 WeakPolarHBondContact CA-OD2 3.45Å
108	C	98.4	Very high	97	Very high	7 Å²	7	16.6 Å²	16.6	5%	0.047	11%	0.106	C	C	.	.			trans	-68.9	-16.1	-175	66.1	0	0	0	0	113.7	E105 V110 G111 I114 S131 D132	E105-C108 HydrophobicContact CB-CB 4.19Å; E105-C108 HydrophobicContact CG-CB 3.92Å; C108-V110 PolarHBondContact O-N 3.3Å; C108-G111 PolarHBondContact O-N 3.22Å; C108-I114 HydrophobicContact CB-CD1 3.77Å; C108-I114 HydrophobicContact CB-CG1 4.33Å; C108-S131 PolarHBondContact N-O 3Å; C108-S131 PolarHBondContact SG-O 2.71Å; C108-D132 PolarHBondContact N-OD2 2.96Å
109	G	98	Very high	97.3	Very high	1 Å²	1	20.3 Å²	20.3	1%	0.01	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.7	-123.1	-176.3	0	0	0	0	0	111.5	Y72 G107 G111 D132	Y72-G109 WeakPolarHBondContact OH-CA 3.3Å; G107-G109 PolarHBondContact O-N 3.21Å; G109-G111 VanDerWaalsContact C-N 3.35Å; G109-D132 VanDerWaalsContact CA-OD2 3.27Å; G109-D132 WeakPolarHBondContact CA-OD2 3.41Å; G109-D132 PolarHBondContact N-OD2 3.48Å
110	V	98.1	Very high	97.5	Very high	3 Å²	3	17.4 Å²	17.4	2%	0.018	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	15.9	177.8	-60.6	0	0	0	0	113	Y72 D77 C108 N112 F115 A137 I140	Y72-V110 HydrophobicContact CD1-CG1 3.62Å; Y72-V110 HydrophobicContact CE1-CG1 3.74Å; Y72-V110 HydrophobicContact CE1-CG2 4.39Å; D77-V110 HydrophobicContact CB-CG2 4.46Å; C108-V110 PolarHBondContact O-N 3.3Å; V110-N112 WeakPolarHBondContact CG2-OD1 3.37Å; V110-F115 WeakPolarHBondContact O-CE2 3.35Å; V110-F115 WeakPolarHBondContact O-CZ 3.15Å; V110-A137 HydrophobicContact CG1-CB 4.44Å; V110-I140 HydrophobicContact CB-CG2 4.15Å; V110-I140 HydrophobicContact CG1-CB 3.91Å; V110-I140 HydrophobicContact CG1-CD1 4.23Å; V110-I140 HydrophobicContact CG1-CG2 3.7Å
111	G	98.1	Very high	97.5	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.087	C	C	.	.	S	Bend	trans	89.9	18.6	169.9	0	0	0	0	0	116.6	C108 G109 T113 I114 F115	C108-G111 PolarHBondContact O-N 3.22Å; G109-G111 VanDerWaalsContact C-N 3.35Å; G111-T113 PolarHBondContact O-N 3.26Å; G111-T113 VanDerWaalsContact O-N 3.07Å; G111-I114 PolarHBondContact O-N 2.88Å; G111-F115 WeakPolarHBondContact O-CD2 2.99Å; G111-F115 WeakPolarHBondContact O-CG 3.45Å; G111-F115 PolarHBondContact O-N 3.43Å
112	N	97.9	Very high	97.2	Very high	13 Å²	13	22.9 Å²	22.9	7%	0.07	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-16.8	-176.8	-66.4	117.1	0	0	0	114.7	F80 D82 R83 V110 P116	F80-N112 VanDerWaalsContact CB-OD1 3.26Å; F80-N112 WeakPolarHBondContact CB-OD1 3.23Å; F80-N112 PolarHBondContact O-ND2 2.91Å; F80-N112 VanDerWaalsContact O-ND2 3.15Å; D82-N112 WeakPolarHBondContact CA-O 3.31Å; D82-N112 PolarHBondContact N-ND2 3.07Å; D82-N112 PolarHBondContact OD1-ND2 2.76Å; R83-N112 HydrophobicContact CG-CB 4.36Å; R83-N112 WeakPolarHBondContact CG-O 3.07Å; R83-N112 PolarHBondContact N-O 2.84Å; V110-N112 WeakPolarHBondContact CG2-OD1 3.37Å; N112-P116 VanDerWaalsContact O-CD 3.25Å; N112-P116 WeakPolarHBondContact O-CD 3.3Å; N112-P116 WeakPolarHBondContact O-CG 3.38Å
113	T	98	Very high	96.9	Very high	2 Å²	2	22.6 Å²	22.6	1%	0.012	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-41	168.6	-49.7	0	0	0	0	110.7	L86 E105 G111 F115 P116 I117 V177	L86-T113 HydrophobicContact CD1-CG2 3.87Å; L86-T113 HydrophobicContact CD2-CG2 3.42Å; L86-T113 VanDerWaalsContact CD2-CG2 3.42Å; L86-T113 HydrophobicContact CG-CG2 4.33Å; E105-T113 WeakPolarHBondContact OE1-CB 3.26Å; E105-T113 WeakPolarHBondContact OE1-CG2 3.33Å; E105-T113 PolarHBondContact OE1-OG1 3.03Å; E105-T113 WeakPolarHBondContact OE2-CB 3.24Å; G111-T113 PolarHBondContact O-N 3.26Å; G111-T113 VanDerWaalsContact O-N 3.07Å; T113-F115 PolarHBondContact O-N 2.77Å; T113-P116 VanDerWaalsContact O-CD 3.3Å; T113-P116 WeakPolarHBondContact O-CD 3.25Å; T113-I117 HydrophobicContact CG2-CD1 4.1Å; T113-I117 WeakPolarHBondContact O-CG1 3.29Å; T113-I117 PolarHBondContact O-N 3.07Å; T113-V177 HydrophobicContact CG2-CG1 4.27Å
114	I	97.8	Very high	96.6	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-55.3	-49.7	177.1	-57.6	-172.7	0	0	0	112.1	E105 C108 G111 I117 L118 I128 A130 L141	E105-I114 WeakPolarHBondContact OE2-CG1 3.15Å; C108-I114 HydrophobicContact CB-CD1 3.77Å; C108-I114 HydrophobicContact CB-CG1 4.33Å; G111-I114 PolarHBondContact O-N 2.88Å; I114-I117 WeakPolarHBondContact O-CA 3.28Å; I114-I117 WeakPolarHBondContact O-CB 3.34Å; I114-I117 PolarHBondContact O-N 2.92Å; I114-L118 HydrophobicContact CG2-CD1 3.66Å; I114-L118 HydrophobicContact CG2-CG 3.94Å; I114-L118 PolarHBondContact O-N 2.84Å; I114-I128 HydrophobicContact CD1-CG2 4.39Å; I114-I128 HydrophobicContact CG1-CG2 4.45Å; I114-I128 HydrophobicContact CG2-CD1 4.05Å; I114-A130 HydrophobicContact CD1-CB 3.42Å; I114-A130 VanDerWaalsContact CD1-CB 3.42Å; I114-L141 HydrophobicContact CD1-CD1 4.43Å; I114-L141 HydrophobicContact CD1-CD2 3.88Å
115	F	97.6	Very high	96.4	Very high	21 Å²	21	29.8 Å²	29.8	9%	0.092	17%	0.17	C	C	.	.	H	α-helix	trans	-63.9	-43.8	-173.7	-56.8	-49	0	0	0	113.3	V110 G111 T113 I117 L118 R119 L141 S144	V110-F115 WeakPolarHBondContact O-CE2 3.35Å; V110-F115 WeakPolarHBondContact O-CZ 3.15Å; G111-F115 WeakPolarHBondContact O-CD2 2.99Å; G111-F115 WeakPolarHBondContact O-CG 3.45Å; G111-F115 PolarHBondContact O-N 3.43Å; T113-F115 PolarHBondContact O-N 2.77Å; F115-I117 VanDerWaalsContact C-N 3.28Å; F115-I117 PolarHBondContact O-N 2.96Å; F115-L118 HydrophobicContact CD1-CD1 4.48Å; F115-L118 PolarHBondContact O-N 2.65Å; F115-R119 WeakPolarHBondContact O-CB 2.87Å; F115-R119 VanDerWaalsContact O-CG 3.29Å; F115-R119 WeakPolarHBondContact O-CG 3.31Å; F115-R119 PolarHBondContact O-N 2.88Å; F115-L141 HydrophobicContact CE1-CD1 3.85Å; F115-L141 HydrophobicContact CZ-CD1 3.63Å; F115-S144 VanDerWaalsContact CZ-CB 3.44Å
116	P	96.8	Very high	96.4	Very high	12 Å²	12	29.8 Å²	29.8	8%	0.078	17%	0.17	C	C	.	.	H	α-helix	trans	-52.1	-43.4	167.4	-28.9	33.5	0	0	0	114	D82 N112 T113 R119 A120	D82-P116 HydrophobicContact CB-CG 4.07Å; N112-P116 VanDerWaalsContact O-CD 3.25Å; N112-P116 WeakPolarHBondContact O-CD 3.3Å; N112-P116 WeakPolarHBondContact O-CG 3.38Å; T113-P116 VanDerWaalsContact O-CD 3.3Å; T113-P116 WeakPolarHBondContact O-CD 3.25Å; P116-R119 PolarHBondContact O-N 3.05Å; P116-A120 WeakPolarHBondContact O-CB 3.4Å; P116-A120 PolarHBondContact O-N 2.96Å
117	I	97.1	Very high	96.4	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.005	18%	0.179	C	C	.	.	H	α-helix	trans	-64	-51.8	179.1	-64.3	171.2	0	0	0	110.6	L86 L93 F94 I103 T113 I114 F115 R119 A120 I121 L126 I128	L86-I117 HydrophobicContact CD2-CD1 3.87Å; L86-I117 HydrophobicContact CD2-CG1 3.67Å; L93-I117 HydrophobicContact CD1-CD1 4.47Å; F94-I117 HydrophobicContact CE1-CG1 4.5Å; F94-I117 HydrophobicContact CZ-CG1 4.22Å; I103-I117 HydrophobicContact CD1-CD1 4.49Å; I103-I117 HydrophobicContact CD1-CG2 3.94Å; T113-I117 HydrophobicContact CG2-CD1 4.1Å; T113-I117 WeakPolarHBondContact O-CG1 3.29Å; T113-I117 PolarHBondContact O-N 3.07Å; I114-I117 WeakPolarHBondContact O-CA 3.28Å; I114-I117 WeakPolarHBondContact O-CB 3.34Å; I114-I117 PolarHBondContact O-N 2.92Å; F115-I117 VanDerWaalsContact C-N 3.28Å; F115-I117 PolarHBondContact O-N 2.96Å; I117-R119 VanDerWaalsContact C-N 3.26Å; I117-R119 PolarHBondContact O-N 2.79Å; I117-A120 PolarHBondContact O-N 2.89Å; I117-A120 VanDerWaalsContact O-N 3.16Å; I117-I121 HydrophobicContact CG2-CD1 3.68Å; I117-I121 HydrophobicContact CG2-CG1 4.3Å; I117-I121 PolarHBondContact O-N 3.13Å; I117-L126 HydrophobicContact CG2-CD1 4.49Å; I117-L126 HydrophobicContact CG2-CD2 4.15Å; I117-I128 HydrophobicContact CB-CD1 4.32Å; I117-I128 HydrophobicContact CG2-CD1 3.8Å
118	L	96.7	Very high	96.4	Very high	11 Å²	11	30.4 Å²	30.4	6%	0.058	17%	0.169	C	C	.	.	H	α-helix	trans	-59.3	-36.5	178.6	-70.5	176.4	0	0	0	112.5	I114 F115 K122 L126 I128 G146 D148 R151	I114-L118 HydrophobicContact CG2-CD1 3.66Å; I114-L118 HydrophobicContact CG2-CG 3.94Å; I114-L118 PolarHBondContact O-N 2.84Å; F115-L118 HydrophobicContact CD1-CD1 4.48Å; F115-L118 PolarHBondContact O-N 2.65Å; L118-K122 PolarHBondContact O-NZ 2.82Å; L118-L126 HydrophobicContact CD2-CD2 4.2Å; L118-I128 HydrophobicContact CD2-CD1 3.8Å; L118-I128 HydrophobicContact CG-CD1 4.07Å; L118-G146 WeakPolarHBondContact CD1-O 3.19Å; L118-D148 HydrophobicContact CD1-CB 4.27Å; L118-D148 HydrophobicContact CD2-CB 4.4Å; L118-R151 HydrophobicContact CD2-CB 4.08Å; L118-R151 PolarHBondContact O-NH1 3.06Å
119	R	95.6	Very high	96.4	Very high	120 Å²	120	30.7 Å²	30.7	45%	0.453	17%	0.169	S	C	.	.	H	α-helix	trans	-70.1	-37.7	177.1	-75.1	-169.6	-56.4	-100.9	5.1	112.7	D82 F115 P116 I117 K122	D82-R119 IonicContact OD2-CZ 2.79Å; D82-R119 VanDerWaalsContact OD2-CZ 3.26Å; D82-R119 IonicContact OD2-NH1 2.98Å; D82-R119 PolarHBondContact OD2-NH1 3.42Å; D82-R119 IonicContact OD2-NH2 2.68Å; D82-R119 PolarHBondContact OD2-NH2 3.05Å; F115-R119 WeakPolarHBondContact O-CB 2.87Å; F115-R119 VanDerWaalsContact O-CG 3.29Å; F115-R119 WeakPolarHBondContact O-CG 3.31Å; F115-R119 PolarHBondContact O-N 2.88Å; P116-R119 PolarHBondContact O-N 3.05Å; I117-R119 VanDerWaalsContact C-N 3.26Å; I117-R119 PolarHBondContact O-N 2.79Å; R119-K122 WeakPolarHBondContact O-CE 3.41Å; R119-K122 PolarHBondContact O-NZ 3.03Å
120	A	94.7	Very high	96.4	Very high	50 Å²	50	30.7 Å²	30.7	41%	0.413	17%	0.169	S	C	.	.	H	α-helix	trans	-88.4	-45.8	-174.8	0	0	0	0	0	112.9	F94 P116 I117 K122	F94-A120 HydrophobicContact CD1-CB 3.51Å; F94-A120 HydrophobicContact CE1-CB 3.57Å; P116-A120 WeakPolarHBondContact O-CB 3.4Å; P116-A120 PolarHBondContact O-N 2.96Å; I117-A120 PolarHBondContact O-N 2.89Å; I117-A120 VanDerWaalsContact O-N 3.16Å; A120-K122 PolarHBondContact O-N 2.84Å
121	I	94.2	Very high	96.4	Very high	19 Å²	19	30.6 Å²	30.6	10%	0.097	17%	0.168	C	C	.	.			trans	-86	113.2	-177.8	-54	179.5	0	0	0	108.4	L93 F94 I103 I117 L126 R151	L93-I121 WeakPolarHBondContact O-CD1 3.42Å; F94-I121 HydrophobicContact CD1-CG1 4.21Å; I103-I121 HydrophobicContact CD1-CD1 4.39Å; I117-I121 HydrophobicContact CG2-CD1 3.68Å; I117-I121 HydrophobicContact CG2-CG1 4.3Å; I117-I121 PolarHBondContact O-N 3.13Å; I121-L126 HydrophobicContact CB-CD2 3.99Å; I121-L126 HydrophobicContact CD1-CD1 4.2Å; I121-L126 HydrophobicContact CG2-CB 4.21Å; I121-L126 HydrophobicContact CG2-CD1 4.28Å; I121-L126 HydrophobicContact CG2-CD2 4.03Å; I121-L126 HydrophobicContact CG2-CG 4.4Å; I121-R151 PolarHBondContact O-NH1 3.44Å; I121-R151 VanDerWaalsContact O-NH1 3.12Å; I121-R151 PolarHBondContact O-NH2 2.65Å
122	K	91.3	Very high	96.5	Very high	149 Å²	149	31.1 Å²	31.1	65%	0.648	17%	0.171	S	C	*	.			trans	-100.9	-4	-179.9	-60.1	-52.7	-174.6	-166.6	0	114.7	L118 R119 A120	L118-K122 PolarHBondContact O-NZ 2.82Å; R119-K122 WeakPolarHBondContact O-CE 3.41Å; R119-K122 PolarHBondContact O-NZ 3.03Å; A120-K122 PolarHBondContact O-N 2.84Å
123	S	91.1	Very high	96.4	Very high	39 Å²	39	32.8 Å²	32.8	27%	0.273	18%	0.178	S	C	.	.			trans	-58.1	133.3	177.7	-179.3	0	0	0	0	110.9	P99 G125 L126 R151	P99-S123 PolarHBondContact O-OG 3.01Å; S123-G125 PolarHBondContact O-N 2.9Å; S123-G125 PolarHBondContact OG-N 3.25Å; S123-L126 PolarHBondContact O-N 2.84Å; S123-R151 PolarHBondContact O-NH2 2.78Å
124	P	91.7	Very high	96.4	Very high	130 Å²	130	32.7 Å²	32.7	84%	0.844	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-19.6	175	27.9	-34.9	0	0	0	112.7	L126	P124-L126 VanDerWaalsContact C-N 3.25Å; P124-L126 PolarHBondContact O-N 3.41Å
125	G	95.7	Very high	96.4	Very high	22 Å²	22	38.9 Å²	38.9	23%	0.227	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	9.3	177	0	0	0	0	0	114.8	P99 S100 V101 S123	P99-G125 WeakPolarHBondContact O-CA 3.28Å; S100-G125 CarbonylContact C-O 3.59Å; S100-G125 VanDerWaalsContact CA-O 3.3Å; S100-G125 WeakPolarHBondContact CA-O 3.35Å; S100-G125 PolarHBondContact OG-O 2.79Å; V101-G125 PolarHBondContact N-O 3.03Å; S123-G125 PolarHBondContact O-N 2.9Å; S123-G125 PolarHBondContact OG-N 3.25Å
126	L	97.8	Very high	96.4	Very high	4 Å²	4	41.4 Å²	41.4	2%	0.021	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	125.5	172.2	178.3	68.9	0	0	0	110.2	V101 I103 I117 L118 I121 S123 P124 I128 R151	V101-L126 HydrophobicContact CB-CD1 4.36Å; V101-L126 WeakPolarHBondContact O-CA 3.43Å; I103-L126 HydrophobicContact CD1-CD1 3.72Å; I103-L126 HydrophobicContact CG1-CD1 4.32Å; I117-L126 HydrophobicContact CG2-CD1 4.49Å; I117-L126 HydrophobicContact CG2-CD2 4.15Å; L118-L126 HydrophobicContact CD2-CD2 4.2Å; I121-L126 HydrophobicContact CB-CD2 3.99Å; I121-L126 HydrophobicContact CD1-CD1 4.2Å; I121-L126 HydrophobicContact CG2-CB 4.21Å; I121-L126 HydrophobicContact CG2-CD1 4.28Å; I121-L126 HydrophobicContact CG2-CD2 4.03Å; I121-L126 HydrophobicContact CG2-CG 4.4Å; S123-L126 PolarHBondContact O-N 2.84Å; P124-L126 VanDerWaalsContact C-N 3.25Å; P124-L126 PolarHBondContact O-N 3.41Å; L126-I128 HydrophobicContact CD1-CG1 4.17Å; L126-I128 HydrophobicContact CD2-CD1 4.06Å; L126-I128 HydrophobicContact CD2-CG1 4.24Å; L126-I128 HydrophobicContact CG-CD1 4.47Å; L126-I128 HydrophobicContact CG-CG1 4.1Å; L126-R151 VanDerWaalsContact CD2-CZ 3.46Å
127	L	98.4	Very high	96.5	Very high	34 Å²	34	40.9 Å²	40.9	18%	0.178	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	127.8	169.6	-176.3	61.8	0	0	0	109.7	V101 H102 I103 Y129 I153	V101-L127 PolarHBondContact O-N 3.47Å; H102-L127 WeakPolarHBondContact CA-O 3.45Å; I103-L127 PolarHBondContact N-O 3.15Å; L127-Y129 HydrophobicContact CD2-CE1 4.37Å; L127-Y129 HydrophobicContact CD2-CE2 3.87Å; L127-Y129 WeakPolarHBondContact CD2-OH 3.42Å; L127-Y129 HydrophobicContact CG-CE2 4.13Å; L127-I153 HydrophobicContact CD1-CD1 3.94Å; L127-I153 HydrophobicContact CD1-CG1 4.07Å; L127-I153 HydrophobicContact CD2-CD1 4.11Å; L127-I153 HydrophobicContact CG-CD1 4.39Å
128	I	98.6	Very high	96.6	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.005	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	118.1	178.8	-54.9	178.7	0	0	0	109.3	I103 I114 I117 L118 L126 A130 R151 C152 I153	I103-I128 CarbonylContact O-C 3.51Å; I103-I128 VanDerWaalsContact O-CA 3.31Å; I103-I128 WeakPolarHBondContact O-CA 3.48Å; I114-I128 HydrophobicContact CD1-CG2 4.39Å; I114-I128 HydrophobicContact CG1-CG2 4.45Å; I114-I128 HydrophobicContact CG2-CD1 4.05Å; I117-I128 HydrophobicContact CB-CD1 4.32Å; I117-I128 HydrophobicContact CG2-CD1 3.8Å; L118-I128 HydrophobicContact CD2-CD1 3.8Å; L118-I128 HydrophobicContact CG-CD1 4.07Å; L126-I128 HydrophobicContact CD1-CG1 4.17Å; L126-I128 HydrophobicContact CD2-CD1 4.06Å; L126-I128 HydrophobicContact CD2-CG1 4.24Å; L126-I128 HydrophobicContact CG-CD1 4.47Å; L126-I128 HydrophobicContact CG-CG1 4.1Å; I128-A130 PolarHBondContact O-N 3.39Å; I128-R151 PolarHBondContact N-O 3.14Å; I128-C152 CarbonylContact O-C 3.54Å; I128-C152 VanDerWaalsContact O-CA 3.26Å; I128-C152 WeakPolarHBondContact O-CA 3.43Å; I128-I153 PolarHBondContact O-N 2.97Å
129	Y	98.8	Very high	96.7	Very high	13 Å²	13	42.4 Å²	42.4	5%	0.051	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	108	165.5	-61.9	-84	0	0	0	108	H102 I103 M104 E105 L127 I153 F155 P167 C168 L173	H102-Y129 HydrophobicContact CB-CE2 4.48Å; I103-Y129 PolarHBondContact O-N 3.1Å; M104-Y129 CarbonylContact C-O 3.55Å; M104-Y129 VanDerWaalsContact CA-O 3.3Å; M104-Y129 WeakPolarHBondContact CA-O 3.4Å; E105-Y129 PolarHBondContact N-O 2.92Å; L127-Y129 HydrophobicContact CD2-CE1 4.37Å; L127-Y129 HydrophobicContact CD2-CE2 3.87Å; L127-Y129 WeakPolarHBondContact CD2-OH 3.42Å; L127-Y129 HydrophobicContact CG-CE2 4.13Å; Y129-I153 CarbonylContact C-O 3.59Å; Y129-I153 WeakPolarHBondContact CA-O 3.38Å; Y129-I153 HydrophobicContact CD1-CB 3.9Å; Y129-I153 HydrophobicContact CD1-CD1 4.12Å; Y129-I153 HydrophobicContact CD1-CG2 4.06Å; Y129-I153 HydrophobicContact CE1-CB 4.2Å; Y129-I153 HydrophobicContact CE1-CD1 3.51Å; Y129-I153 HydrophobicContact CE1-CG1 4.42Å; Y129-I153 HydrophobicContact CE1-CG2 4.37Å; Y129-F155 HydrophobicContact CD1-CE1 4.48Å; Y129-P167 VanDerWaalsContact CD1-O 3.28Å; Y129-P167 WeakPolarHBondContact CD1-O 3.23Å; Y129-P167 WeakPolarHBondContact CE1-O 3.43Å; Y129-C168 HydrophobicContact CD1-CB 3.87Å; Y129-C168 HydrophobicContact CE1-CB 4.05Å; Y129-C168 HydrophobicContact CG-CB 4.18Å; Y129-L173 HydrophobicContact CD2-CD2 3.52Å; Y129-L173 HydrophobicContact CE2-CD2 3.8Å
130	A	98.7	Very high	96.8	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	110.7	-176.9	0	0	0	0	0	109.1	I114 I128 L141 I153 T154 F155	I114-A130 HydrophobicContact CD1-CB 3.42Å; I114-A130 VanDerWaalsContact CD1-CB 3.42Å; I128-A130 PolarHBondContact O-N 3.39Å; A130-L141 HydrophobicContact CB-CD2 4.19Å; A130-I153 PolarHBondContact N-O 3.26Å; A130-T154 HydrophobicContact CB-CG2 4.29Å; A130-T154 VanDerWaalsContact O-CA 3.28Å; A130-T154 WeakPolarHBondContact O-CA 3.35Å; A130-F155 PolarHBondContact O-N 2.77Å
131	S	98.5	Very high	97	Very high	1 Å²	1	35 Å²	35	1%	0.007	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	140.8	-179.9	65	0	0	0	0	112.2	E105 G107 C108 F155	E105-S131 PolarHBondContact O-N 3.33Å; E105-S131 PolarHBondContact O-OG 3.02Å; G107-S131 WeakPolarHBondContact CA-O 3.3Å; G107-S131 PolarHBondContact N-O 3.42Å; C108-S131 PolarHBondContact N-O 3Å; C108-S131 PolarHBondContact SG-O 2.71Å; S131-F155 WeakPolarHBondContact CA-O 3Å
132	D	98.6	Very high	97.2	Very high	11 Å²	11	39.2 Å²	39.2	6%	0.059	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	160.4	172.1	-157.1	-81.6	0	0	0	110.3	G107 C108 G109 S134 L138 Q156 H157	G107-D132 VanDerWaalsContact CA-OD2 3.27Å; G107-D132 WeakPolarHBondContact CA-OD2 3.45Å; C108-D132 PolarHBondContact N-OD2 2.96Å; G109-D132 VanDerWaalsContact CA-OD2 3.27Å; G109-D132 WeakPolarHBondContact CA-OD2 3.41Å; G109-D132 PolarHBondContact N-OD2 3.48Å; D132-S134 WeakPolarHBondContact OD1-CB 3.35Å; D132-S134 PolarHBondContact OD1-N 3.21Å; D132-L138 HydrophobicContact CB-CD1 4.42Å; D132-L138 HydrophobicContact CB-CD2 3.57Å; D132-L138 HydrophobicContact CB-CG 3.94Å; D132-Q156 CarbonylContact O-C 3.55Å; D132-Q156 WeakPolarHBondContact O-CA 3.25Å; D132-H157 PolarHBondContact O-N 3.03Å
133	F	97.6	Very high	97.5	Very high	49 Å²	49	39 Å²	39	22%	0.215	21%	0.206	C	C	.	.	S	Bend	trans	-77	-32	175.7	-167.3	-159.4	0	0	0	111.5	A64 H65 Q156 D158	A64-F133 HydrophobicContact CB-CE1 3.77Å; A64-F133 HydrophobicContact CB-CZ 4.45Å; H65-F133 VanDerWaalsContact CA-CE1 3.47Å; H65-F133 HydrophobicContact CB-CD1 4.06Å; H65-F133 HydrophobicContact CB-CD2 3.98Å; H65-F133 HydrophobicContact CB-CE1 3.69Å; H65-F133 HydrophobicContact CB-CE2 3.58Å; H65-F133 HydrophobicContact CB-CG 4.22Å; H65-F133 HydrophobicContact CB-CZ 3.46Å; H65-F133 VanDerWaalsContact CB-CZ 3.46Å; F133-Q156 PolarHBondContact O-NE2 3.21Å; F133-D158 HydrophobicContact CD2-CB 3.89Å; F133-D158 HydrophobicContact CE2-CB 3.58Å; F133-D158 HydrophobicContact CZ-CB 4.4Å
134	S	97.9	Very high	97.8	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.201	C	C	.	.			trans	-88	113.1	-178.4	172.8	0	0	0	0	111.6	D69 D132 K136 A137 L138	D69-S134 WeakPolarHBondContact OD1-CA 3.38Å; D69-S134 VanDerWaalsContact OD1-CB 3.25Å; D69-S134 WeakPolarHBondContact OD1-CB 3.35Å; D69-S134 PolarHBondContact OD1-OG 2.76Å; D132-S134 WeakPolarHBondContact OD1-CB 3.35Å; D132-S134 PolarHBondContact OD1-N 3.21Å; S134-K136 PolarHBondContact O-N 3.09Å; S134-K136 PolarHBondContact OG-N 3.32Å; S134-A137 PolarHBondContact O-N 2.92Å; S134-A137 PolarHBondContact OG-N 3.41Å; S134-L138 WeakPolarHBondContact O-CG 3.46Å; S134-L138 PolarHBondContact O-N 2.88Å
135	E	97.5	Very high	98	Very high	129 Å²	129	42.7 Å²	42.7	60%	0.603	21%	0.207	S	C	*	.	H	α-helix	trans	-61.7	-34.3	171.7	-173.5	174.9	-160.8	0	0	110.9	D69 A137 L138 S139	D69-E135 PolarHBondContact OD1-N 2.98Å; E135-A137 PolarHBondContact O-N 2.92Å; E135-L138 PolarHBondContact O-N 3.44Å; E135-S139 PolarHBondContact O-N 2.97Å
136	K	98.2	Very high	97.9	Very high	75 Å²	75	43.7 Å²	43.7	33%	0.326	22%	0.217	S	C	.	.	H	α-helix	trans	-61.6	-43.2	176.8	-177.4	56.3	178.7	166.5	0	112.1	D69 S134 L138 S139 I140	D69-K136 HydrophobicContact CB-CB 4.3Å; D69-K136 WeakPolarHBondContact OD1-CB 3.47Å; D69-K136 PolarHBondContact OD1-N 2.66Å; D69-K136 VanDerWaalsContact OD1-N 3.1Å; S134-K136 PolarHBondContact O-N 3.09Å; S134-K136 PolarHBondContact OG-N 3.32Å; K136-L138 VanDerWaalsContact C-N 3.31Å; K136-L138 PolarHBondContact O-N 3.38Å; K136-S139 PolarHBondContact O-N 3.24Å; K136-I140 HydrophobicContact CD-CD1 4.29Å; K136-I140 HydrophobicContact CG-CD1 4.13Å; K136-I140 WeakPolarHBondContact O-CD1 3.39Å; K136-I140 WeakPolarHBondContact O-CG1 3.44Å; K136-I140 PolarHBondContact O-N 3.25Å; K136-I140 VanDerWaalsContact O-N 3.15Å
137	A	98.3	Very high	97.9	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-60.2	-43.7	176.8	0	0	0	0	0	111.4	Y72 V110 S134 E135 I140 L141	Y72-A137 HydrophobicContact CD1-CB 4.23Å; Y72-A137 HydrophobicContact CD2-CB 3.47Å; Y72-A137 VanDerWaalsContact CD2-CB 3.47Å; Y72-A137 HydrophobicContact CE1-CB 4.35Å; Y72-A137 HydrophobicContact CE2-CB 3.6Å; Y72-A137 HydrophobicContact CG-CB 3.79Å; V110-A137 HydrophobicContact CG1-CB 4.44Å; S134-A137 PolarHBondContact O-N 2.92Å; S134-A137 PolarHBondContact OG-N 3.41Å; E135-A137 PolarHBondContact O-N 2.92Å; A137-I140 PolarHBondContact O-N 2.9Å; A137-L141 WeakPolarHBondContact O-CB 3.29Å; A137-L141 PolarHBondContact O-N 3.33Å
138	L	98.6	Very high	97.9	Very high	7 Å²	7	46.6 Å²	46.6	4%	0.037	23%	0.23	C	C	.	.	H	α-helix	trans	-67.6	-35.2	179.6	-61	-178.3	0	0	0	113	D132 S134 E135 K136 L141 K142 T154 F155 Q156	D132-L138 HydrophobicContact CB-CD1 4.42Å; D132-L138 HydrophobicContact CB-CD2 3.57Å; D132-L138 HydrophobicContact CB-CG 3.94Å; S134-L138 WeakPolarHBondContact O-CG 3.46Å; S134-L138 PolarHBondContact O-N 2.88Å; E135-L138 PolarHBondContact O-N 3.44Å; K136-L138 VanDerWaalsContact C-N 3.31Å; K136-L138 PolarHBondContact O-N 3.38Å; L138-L141 HydrophobicContact CD2-CD2 4.34Å; L138-L141 PolarHBondContact O-N 2.87Å; L138-K142 VanDerWaalsContact O-CG 3.32Å; L138-K142 WeakPolarHBondContact O-CG 3.47Å; L138-K142 PolarHBondContact O-N 3.15Å; L138-T154 HydrophobicContact CB-CG2 4.16Å; L138-T154 HydrophobicContact CD1-CG2 4.38Å; L138-T154 HydrophobicContact CD2-CG2 3.71Å; L138-T154 HydrophobicContact CG-CG2 4.29Å; L138-F155 VanDerWaalsContact CD1-C 3.41Å; L138-F155 WeakPolarHBondContact CD1-O 3.33Å; L138-Q156 HydrophobicContact CD1-CB 4.08Å
139	S	98.4	Very high	97.8	Very high	37 Å²	37	49.9 Å²	49.9	26%	0.259	26%	0.257	S	S	.	.	H	α-helix	trans	-61.3	-48.8	171.6	148.2	0	0	0	0	110.8	E135 K136 L141 K142 E143	E135-S139 PolarHBondContact O-N 2.97Å; K136-S139 PolarHBondContact O-N 3.24Å; S139-L141 VanDerWaalsContact C-N 3.33Å; S139-L141 PolarHBondContact O-N 3.46Å; S139-K142 PolarHBondContact O-N 3.33Å; S139-E143 WeakPolarHBondContact O-CG 3.42Å; S139-E143 PolarHBondContact O-N 3.37Å; S139-E143 PolarHBondContact OG-OE1 3.05Å
140	I	98.4	Very high	97.7	Very high	15 Å²	15	56.7 Å²	56.7	8%	0.077	30%	0.295	C	S	.	.	H	α-helix	trans	-62.2	-41.6	177.7	-63.9	157.8	0	0	0	111	D77 V110 K136 A137 K142 E143 S144	D77-I140 HydrophobicContact CB-CG2 4.21Å; V110-I140 HydrophobicContact CB-CG2 4.15Å; V110-I140 HydrophobicContact CG1-CB 3.91Å; V110-I140 HydrophobicContact CG1-CD1 4.23Å; V110-I140 HydrophobicContact CG1-CG2 3.7Å; K136-I140 HydrophobicContact CD-CD1 4.29Å; K136-I140 HydrophobicContact CG-CD1 4.13Å; K136-I140 WeakPolarHBondContact O-CD1 3.39Å; K136-I140 WeakPolarHBondContact O-CG1 3.44Å; K136-I140 PolarHBondContact O-N 3.25Å; K136-I140 VanDerWaalsContact O-N 3.15Å; A137-I140 PolarHBondContact O-N 2.9Å; I140-K142 PolarHBondContact O-N 2.79Å; I140-E143 PolarHBondContact O-N 3.26Å; I140-S144 PolarHBondContact O-N 3.44Å; I140-S144 VanDerWaalsContact O-N 3.09Å; I140-S144 PolarHBondContact O-OG 3.48Å
141	L	98.5	Very high	97.7	Very high	0 Å²	0	58 Å²	58	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-55.4	-51.3	174.3	170.9	57.4	0	0	0	111	I114 F115 A130 A137 L138 S139 E143 S144 Y147 T154	I114-L141 HydrophobicContact CD1-CD1 4.43Å; I114-L141 HydrophobicContact CD1-CD2 3.88Å; F115-L141 HydrophobicContact CE1-CD1 3.85Å; F115-L141 HydrophobicContact CZ-CD1 3.63Å; A130-L141 HydrophobicContact CB-CD2 4.19Å; A137-L141 WeakPolarHBondContact O-CB 3.29Å; A137-L141 PolarHBondContact O-N 3.33Å; L138-L141 HydrophobicContact CD2-CD2 4.34Å; L138-L141 PolarHBondContact O-N 2.87Å; S139-L141 VanDerWaalsContact C-N 3.33Å; S139-L141 PolarHBondContact O-N 3.46Å; L141-E143 VanDerWaalsContact C-N 3.31Å; L141-E143 PolarHBondContact O-N 2.9Å; L141-S144 VanDerWaalsContact O-CB 3.3Å; L141-S144 WeakPolarHBondContact O-CB 3.19Å; L141-S144 PolarHBondContact O-N 3.16Å; L141-Y147 HydrophobicContact CD1-CD2 3.84Å; L141-Y147 HydrophobicContact CD1-CE2 4.43Å; L141-Y147 HydrophobicContact CD2-CE2 4.46Å; L141-Y147 HydrophobicContact CG-CD2 3.86Å; L141-Y147 HydrophobicContact CG-CE2 4.06Å; L141-Y147 VanDerWaalsContact O-CB 3.3Å; L141-Y147 WeakPolarHBondContact O-CB 3.28Å; L141-T154 HydrophobicContact CD2-CG2 4.15Å
142	K	98.5	Very high	97.7	Very high	107 Å²	107	58.3 Å²	58.3	47%	0.465	30%	0.301	S	S	.	.	H	α-helix	trans	-65.3	-31.5	-178.5	-72.8	172.5	180	177.3	0	113.3	L138 S139 I140 S144 Y147 T154	L138-K142 VanDerWaalsContact O-CG 3.32Å; L138-K142 WeakPolarHBondContact O-CG 3.47Å; L138-K142 PolarHBondContact O-N 3.15Å; S139-K142 PolarHBondContact O-N 3.33Å; I140-K142 PolarHBondContact O-N 2.79Å; K142-S144 VanDerWaalsContact C-N 3.33Å; K142-Y147 HydrophobicContact CB-CE1 4.44Å; K142-Y147 HydrophobicContact CG-CE1 4.11Å; K142-Y147 HydrophobicContact CG-CE2 4.37Å; K142-T154 VanDerWaalsContact CE-CB 3.47Å; K142-T154 VanDerWaalsContact CE-CG2 3.49Å; K142-T154 HydrophobicContact CG-CG2 4.43Å
143	E	98	Very high	97.7	Very high	145 Å²	145	60.7 Å²	60.7	68%	0.678	31%	0.314	S	S	*	.	H	α-helix	trans	-81	-13.1	178.2	-70.8	165.9	-152.6	0	0	113.3	S139 I140 L141	S139-E143 WeakPolarHBondContact O-CG 3.42Å; S139-E143 PolarHBondContact O-N 3.37Å; S139-E143 PolarHBondContact OG-OE1 3.05Å; I140-E143 PolarHBondContact O-N 3.26Å; L141-E143 VanDerWaalsContact C-N 3.31Å; L141-E143 PolarHBondContact O-N 2.9Å
144	S	97.6	Very high	97.7	Very high	23 Å²	23	59.3 Å²	59.3	16%	0.161	31%	0.309	C	S	.	.	S	Bend	trans	-69.9	138.1	-177.3	-67.5	0	0	0	0	111.9	F115 I140 L141 K142 G146 Y147	F115-S144 VanDerWaalsContact CZ-CB 3.44Å; I140-S144 PolarHBondContact O-N 3.44Å; I140-S144 VanDerWaalsContact O-N 3.09Å; I140-S144 PolarHBondContact O-OG 3.48Å; L141-S144 VanDerWaalsContact O-CB 3.3Å; L141-S144 WeakPolarHBondContact O-CB 3.19Å; L141-S144 PolarHBondContact O-N 3.16Å; K142-S144 VanDerWaalsContact C-N 3.33Å; S144-G146 PolarHBondContact O-N 3.07Å; S144-Y147 VanDerWaalsContact O-CB 3.28Å; S144-Y147 WeakPolarHBondContact O-CB 3.42Å; S144-Y147 PolarHBondContact O-N 3.21Å
145	K	95.4	Very high	97.8	Very high	223 Å²	223	60.4 Å²	60.4	97%	0.97	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-22.3	-178.9	-66.9	-175.4	179.3	-179.7	0	115.1
146	G	93.9	Very high	97.8	Very high	44 Å²	44	59 Å²	59	45%	0.454	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-1.4	179.2	0	0	0	0	0	114.4	L118 S144	L118-G146 WeakPolarHBondContact CD1-O 3.19Å; S144-G146 PolarHBondContact O-N 3.07Å
147	Y	98	Very high	97.8	Very high	46 Å²	46	55.9 Å²	55.9	18%	0.18	29%	0.294	C	S	.	.			trans	-75.9	139.5	179.3	-175.3	-101.3	0	0	0	110.9	L141 K142 S144 A149 C152 T154	L141-Y147 HydrophobicContact CD1-CD2 3.84Å; L141-Y147 HydrophobicContact CD1-CE2 4.43Å; L141-Y147 HydrophobicContact CD2-CE2 4.46Å; L141-Y147 HydrophobicContact CG-CD2 3.86Å; L141-Y147 HydrophobicContact CG-CE2 4.06Å; L141-Y147 VanDerWaalsContact O-CB 3.3Å; L141-Y147 WeakPolarHBondContact O-CB 3.28Å; K142-Y147 HydrophobicContact CB-CE1 4.44Å; K142-Y147 HydrophobicContact CG-CE1 4.11Å; K142-Y147 HydrophobicContact CG-CE2 4.37Å; S144-Y147 VanDerWaalsContact O-CB 3.28Å; S144-Y147 WeakPolarHBondContact O-CB 3.42Å; S144-Y147 PolarHBondContact O-N 3.21Å; Y147-A149 HydrophobicContact CE1-CB 3.91Å; Y147-C152 HydrophobicContact CE2-CB 3.62Å; Y147-C152 PolarHBondContact OH-O 3.32Å; Y147-T154 WeakPolarHBondContact CE2-OG1 3.3Å; Y147-T154 PolarHBondContact OH-OG1 2.82Å
148	D	97.6	Very high	97.7	Very high	52 Å²	52	57.6 Å²	57.6	28%	0.278	30%	0.303	S	S	.	.			trans	-126.4	106.3	-179.8	-173.7	-22.6	0	0	0	108.4	L118 D150 R151 C152	L118-D148 HydrophobicContact CD1-CB 4.27Å; L118-D148 HydrophobicContact CD2-CB 4.4Å; D148-D150 VanDerWaalsContact C-N 3.25Å; D148-D150 PolarHBondContact O-N 3.35Å; D148-D150 PolarHBondContact OD1-N 3.38Å; D148-D150 VanDerWaalsContact OD1-N 3.07Å; D148-R151 HydrophobicContact CB-CB 4.33Å; D148-R151 PolarHBondContact O-N 2.92Å; D148-R151 WeakPolarHBondContact OD2-CD 3.44Å; D148-R151 WeakPolarHBondContact OD2-CG 3.3Å; D148-C152 VanDerWaalsContact O-CB 3.3Å; D148-C152 WeakPolarHBondContact O-CB 3.23Å; D148-C152 PolarHBondContact O-N 3.41Å; D148-C152 VanDerWaalsContact O-N 3.16Å
149	A	97.3	Very high	97.7	Very high	70 Å²	70	57.9 Å²	57.9	58%	0.579	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-21	-175.8	0	0	0	0	0	113.2	Y147 R151	Y147-A149 HydrophobicContact CE1-CB 3.91Å; A149-R151 VanDerWaalsContact C-N 3.3Å
150	D	97.1	Very high	97.7	Very high	157 Å²	157	56.5 Å²	56.5	84%	0.84	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-16.7	179.4	-64.8	-31.6	0	0	0	111.8	D148	D148-D150 VanDerWaalsContact C-N 3.25Å; D148-D150 PolarHBondContact O-N 3.35Å; D148-D150 PolarHBondContact OD1-N 3.38Å; D148-D150 VanDerWaalsContact OD1-N 3.07Å
151	R	97.7	Very high	97.6	Very high	27 Å²	27	60.8 Å²	60.8	10%	0.102	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.7	-4.4	-177.1	-56.9	178.7	79.2	-161.9	10.7	113.3	L118 I121 S123 L126 I128 D148 A149	L118-R151 HydrophobicContact CD2-CB 4.08Å; L118-R151 PolarHBondContact O-NH1 3.06Å; I121-R151 PolarHBondContact O-NH1 3.44Å; I121-R151 VanDerWaalsContact O-NH1 3.12Å; I121-R151 PolarHBondContact O-NH2 2.65Å; S123-R151 PolarHBondContact O-NH2 2.78Å; L126-R151 VanDerWaalsContact CD2-CZ 3.46Å; I128-R151 PolarHBondContact N-O 3.14Å; D148-R151 HydrophobicContact CB-CB 4.33Å; D148-R151 PolarHBondContact O-N 2.92Å; D148-R151 WeakPolarHBondContact OD2-CD 3.44Å; D148-R151 WeakPolarHBondContact OD2-CG 3.3Å; A149-R151 VanDerWaalsContact C-N 3.3Å
152	C	98.4	Very high	97.4	Very high	7 Å²	7	62.6 Å²	62.6	5%	0.047	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	123.1	-176.4	-68.1	0	0	0	0	112.1	I128 Y147 D148	I128-C152 CarbonylContact O-C 3.54Å; I128-C152 VanDerWaalsContact O-CA 3.26Å; I128-C152 WeakPolarHBondContact O-CA 3.43Å; Y147-C152 HydrophobicContact CE2-CB 3.62Å; Y147-C152 PolarHBondContact OH-O 3.32Å; D148-C152 VanDerWaalsContact O-CB 3.3Å; D148-C152 WeakPolarHBondContact O-CB 3.23Å; D148-C152 PolarHBondContact O-N 3.41Å; D148-C152 VanDerWaalsContact O-N 3.16Å
153	I	98.6	Very high	97.1	Very high	62 Å²	62	64.7 Å²	64.7	32%	0.318	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	108.7	165.4	-66.4	169.3	0	0	0	107.4	L127 I128 Y129 A130 F155 P167	L127-I153 HydrophobicContact CD1-CD1 3.94Å; L127-I153 HydrophobicContact CD1-CG1 4.07Å; L127-I153 HydrophobicContact CD2-CD1 4.11Å; L127-I153 HydrophobicContact CG-CD1 4.39Å; I128-I153 PolarHBondContact O-N 2.97Å; Y129-I153 CarbonylContact C-O 3.59Å; Y129-I153 WeakPolarHBondContact CA-O 3.38Å; Y129-I153 HydrophobicContact CD1-CB 3.9Å; Y129-I153 HydrophobicContact CD1-CD1 4.12Å; Y129-I153 HydrophobicContact CD1-CG2 4.06Å; Y129-I153 HydrophobicContact CE1-CB 4.2Å; Y129-I153 HydrophobicContact CE1-CD1 3.51Å; Y129-I153 HydrophobicContact CE1-CG1 4.42Å; Y129-I153 HydrophobicContact CE1-CG2 4.37Å; A130-I153 PolarHBondContact N-O 3.26Å; I153-F155 HydrophobicContact CG2-CD1 4.29Å; I153-P167 HydrophobicContact CG2-CB 4.13Å; I153-P167 HydrophobicContact CG2-CG 3.92Å
154	T	98.6	Very high	96.8	Very high	19 Å²	19	61.8 Å²	61.8	12%	0.117	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	121.6	-171.8	-56.7	0	0	0	0	111.9	A130 L138 L141 K142 Y147	A130-T154 HydrophobicContact CB-CG2 4.29Å; A130-T154 VanDerWaalsContact O-CA 3.28Å; A130-T154 WeakPolarHBondContact O-CA 3.35Å; L138-T154 HydrophobicContact CB-CG2 4.16Å; L138-T154 HydrophobicContact CD1-CG2 4.38Å; L138-T154 HydrophobicContact CD2-CG2 3.71Å; L138-T154 HydrophobicContact CG-CG2 4.29Å; L141-T154 HydrophobicContact CD2-CG2 4.15Å; K142-T154 VanDerWaalsContact CE-CB 3.47Å; K142-T154 VanDerWaalsContact CE-CG2 3.49Å; K142-T154 HydrophobicContact CG-CG2 4.43Å; Y147-T154 WeakPolarHBondContact CE2-OG1 3.3Å; Y147-T154 PolarHBondContact OH-OG1 2.82Å
155	F	98.4	Very high	96.6	Very high	23 Å²	23	70 Å²	70	10%	0.101	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	147.9	-174.4	61	-81.8	0	0	0	112.6	M104 Y129 A130 S131 L138 I153 H157 I166 P167	M104-F155 HydrophobicContact SD-CZ 4.38Å; Y129-F155 HydrophobicContact CD1-CE1 4.48Å; A130-F155 PolarHBondContact O-N 2.77Å; S131-F155 WeakPolarHBondContact CA-O 3Å; L138-F155 VanDerWaalsContact CD1-C 3.41Å; L138-F155 WeakPolarHBondContact CD1-O 3.33Å; I153-F155 HydrophobicContact CG2-CD1 4.29Å; F155-H157 HydrophobicContact CD2-CB 3.93Å; F155-H157 HydrophobicContact CE2-CB 3.8Å; F155-I166 HydrophobicContact CD2-CB 4.33Å; F155-I166 HydrophobicContact CD2-CG2 4.48Å; F155-I166 HydrophobicContact CE2-CB 3.66Å; F155-I166 HydrophobicContact CE2-CD1 4.22Å; F155-I166 HydrophobicContact CE2-CG1 4.45Å; F155-I166 HydrophobicContact CE2-CG2 3.87Å; F155-I166 HydrophobicContact CZ-CB 4.1Å; F155-I166 HydrophobicContact CZ-CD1 4.09Å; F155-I166 HydrophobicContact CZ-CG1 4.49Å; F155-P167 HydrophobicContact CB-CG 3.92Å; F155-P167 HydrophobicContact CD1-CG 3.41Å; F155-P167 VanDerWaalsContact CD1-CG 3.41Å; F155-P167 HydrophobicContact CD2-CG 4.14Å; F155-P167 HydrophobicContact CE1-CG 3.88Å; F155-P167 HydrophobicContact CG-CG 3.56Å; F155-P167 HydrophobicContact CZ-CG 4.42Å
156	Q	97.9	Very high	96.7	Very high	101 Å²	101	60.5 Å²	60.5	47%	0.472	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	138.4	172.9	-171.2	-175	24.8	0	0	109.8	D132 F133 L138	D132-Q156 CarbonylContact O-C 3.55Å; D132-Q156 WeakPolarHBondContact O-CA 3.25Å; F133-Q156 PolarHBondContact O-NE2 3.21Å; L138-Q156 HydrophobicContact CD1-CB 4.08Å
157	H	98.1	Very high	96.9	Very high	9 Å²	9	61.7 Å²	61.7	4%	0.042	32%	0.324	C	S	.	.			trans	-155.7	123.8	178.6	-176.9	-150.2	0	0	0	111.9	D132 F155 I159	D132-H157 PolarHBondContact O-N 3.03Å; F155-H157 HydrophobicContact CD2-CB 3.93Å; F155-H157 HydrophobicContact CE2-CB 3.8Å; H157-I159 PolarHBondContact O-N 3.37Å
158	D	97.7	Very high	96.9	Very high	35 Å²	35	59.8 Å²	59.8	19%	0.187	32%	0.318	C	S	.	.			trans	-81.6	103.3	161.3	179.5	-10	0	0	0	108.8	F133 T160 K161	F133-D158 HydrophobicContact CD2-CB 3.89Å; F133-D158 HydrophobicContact CE2-CB 3.58Å; F133-D158 HydrophobicContact CZ-CB 4.4Å; D158-T160 VanDerWaalsContact CG-OG1 3.27Å; D158-T160 PolarHBondContact O-N 2.83Å; D158-T160 WeakPolarHBondContact OD1-CA 3.06Å; D158-T160 VanDerWaalsContact OD1-CB 3.26Å; D158-T160 WeakPolarHBondContact OD1-CB 3.45Å; D158-T160 WeakPolarHBondContact OD1-CG2 2.88Å; D158-T160 PolarHBondContact OD1-N 3.49Å; D158-T160 PolarHBondContact OD1-OG1 3.03Å; D158-T160 PolarHBondContact OD2-OG1 2.84Å; D158-K161 HydrophobicContact CB-CB 4.48Å; D158-K161 HydrophobicContact CB-CG 3.75Å; D158-K161 WeakPolarHBondContact O-CB 3.28Å; D158-K161 PolarHBondContact O-N 3.47Å; D158-K161 WeakPolarHBondContact OD2-CE 3.48Å; D158-K161 WeakPolarHBondContact OD2-CG 3.48Å
159	I	98	Very high	96.9	Very high	13 Å²	13	60.9 Å²	60.9	7%	0.067	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-8	-177.1	63.4	172.7	0	0	0	114	V106 H157 V181 V185 T193	V106-I159 HydrophobicContact CG1-CB 4.32Å; V106-I159 HydrophobicContact CG1-CD1 3.87Å; V106-I159 HydrophobicContact CG1-CG2 3.27Å; H157-I159 PolarHBondContact O-N 3.37Å; I159-V181 HydrophobicContact CD1-CG2 4.1Å; I159-V185 HydrophobicContact CD1-CG2 3.78Å; I159-V185 HydrophobicContact CG1-CG2 4.15Å; I159-T193 HydrophobicContact CB-CG2 4.06Å; I159-T193 HydrophobicContact CD1-CG2 3.88Å; I159-T193 HydrophobicContact CG1-CG2 3.93Å; I159-T193 VanDerWaalsContact O-CG2 3.3Å; I159-T193 WeakPolarHBondContact O-CG2 3.46Å; I159-T193 PolarHBondContact O-OG1 2.76Å
160	T	97.4	Very high	96.9	Very high	9 Å²	9	63.9 Å²	63.9	6%	0.055	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-19.3	171.2	80.5	0	0	0	0	112.3	D158 T162 V185 L189 R192 T193	D158-T160 VanDerWaalsContact CG-OG1 3.27Å; D158-T160 PolarHBondContact O-N 2.83Å; D158-T160 WeakPolarHBondContact OD1-CA 3.06Å; D158-T160 VanDerWaalsContact OD1-CB 3.26Å; D158-T160 WeakPolarHBondContact OD1-CB 3.45Å; D158-T160 WeakPolarHBondContact OD1-CG2 2.88Å; D158-T160 PolarHBondContact OD1-N 3.49Å; D158-T160 PolarHBondContact OD1-OG1 3.03Å; D158-T160 PolarHBondContact OD2-OG1 2.84Å; T160-T162 PolarHBondContact O-N 3.41Å; T160-T162 VanDerWaalsContact O-N 3.14Å; T160-V185 HydrophobicContact CG2-CG1 3.86Å; T160-L189 HydrophobicContact CG2-CD1 3.83Å; T160-R192 VanDerWaalsContact O-CZ 3.25Å; T160-R192 PolarHBondContact O-NE 2.88Å; T160-R192 VanDerWaalsContact O-NE 3.1Å; T160-R192 PolarHBondContact O-NH2 3.39Å; T160-T193 WeakPolarHBondContact CA-OG1 3.5Å
161	K	96.3	Very high	97	Very high	104 Å²	104	60.7 Å²	60.7	45%	0.452	31%	0.311	S	S	.	.			trans	-86.5	75.7	178.8	-55	-62.4	177	179	0	110.7	D158 N163 D164	D158-K161 HydrophobicContact CB-CB 4.48Å; D158-K161 HydrophobicContact CB-CG 3.75Å; D158-K161 WeakPolarHBondContact O-CB 3.28Å; D158-K161 PolarHBondContact O-N 3.47Å; D158-K161 WeakPolarHBondContact OD2-CE 3.48Å; D158-K161 WeakPolarHBondContact OD2-CG 3.48Å; K161-N163 PolarHBondContact O-N 2.94Å; K161-D164 HydrophobicContact CB-CB 4.5Å; K161-D164 WeakPolarHBondContact CB-OD2 3.31Å; K161-D164 PolarHBondContact O-N 3.36Å; K161-D164 VanDerWaalsContact O-N 3.16Å
162	T	95	Very high	97	Very high	38 Å²	38	60.6 Å²	60.6	23%	0.233	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-3.3	-171.3	58.8	0	0	0	0	115.8	T160 R192 N196	T160-T162 PolarHBondContact O-N 3.41Å; T160-T162 VanDerWaalsContact O-N 3.14Å; T162-R192 HydrophobicContact CG2-CB 4.47Å; T162-R192 HydrophobicContact CG2-CG 4.22Å; T162-R192 WeakPolarHBondContact CG2-O 3.47Å; T162-N196 HydrophobicContact CG2-CB 3.63Å; T162-N196 PolarHBondContact O-OD1 3.08Å
163	N	93	Very high	97	Very high	151 Å²	151	60.3 Å²	60.3	81%	0.807	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.3	-8.9	177.6	-65	-21.7	0	0	0	112.5	K161	K161-N163 PolarHBondContact O-N 2.94Å
164	D	91.6	Very high	97	Very high	84 Å²	84	58.1 Å²	58.1	45%	0.449	30%	0.301	S	S	.	.	S	Bend	trans	-73.7	137.2	-177.2	-65.5	-1.5	0	0	0	109.9	K161	K161-D164 HydrophobicContact CB-CB 4.5Å; K161-D164 WeakPolarHBondContact CB-OD2 3.31Å; K161-D164 PolarHBondContact O-N 3.36Å; K161-D164 VanDerWaalsContact O-N 3.16Å
165	E	92.7	Very high	97	Very high	197 Å²	197	58.1 Å²	58.1	92%	0.921	30%	0.299	S	S	*	.			trans	-79	126.5	170.4	-68.8	-173.2	173.2	0	0	109.4
166	I	97.4	Very high	97	Very high	23 Å²	23	57 Å²	57	12%	0.118	29%	0.294	C	S	.	.			trans	-110.5	155.4	175.8	69.1	175.2	0	0	0	109.6	M104 F155 C168 Y200	M104-I166 HydrophobicContact SD-CD1 4.11Å; F155-I166 HydrophobicContact CD2-CB 4.33Å; F155-I166 HydrophobicContact CD2-CG2 4.48Å; F155-I166 HydrophobicContact CE2-CB 3.66Å; F155-I166 HydrophobicContact CE2-CD1 4.22Å; F155-I166 HydrophobicContact CE2-CG1 4.45Å; F155-I166 HydrophobicContact CE2-CG2 3.87Å; F155-I166 HydrophobicContact CZ-CB 4.1Å; F155-I166 HydrophobicContact CZ-CD1 4.09Å; F155-I166 HydrophobicContact CZ-CG1 4.49Å; I166-C168 HydrophobicContact CD1-CB 4Å; I166-C168 HydrophobicContact CG1-CB 4Å; I166-C168 PolarHBondContact O-N 3.46Å; I166-Y200 HydrophobicContact CD1-CD1 4.25Å; I166-Y200 HydrophobicContact CD1-CD2 4.29Å; I166-Y200 HydrophobicContact CD1-CE1 3.68Å; I166-Y200 HydrophobicContact CD1-CE2 3.75Å; I166-Y200 VanDerWaalsContact CD1-CZ 3.41Å; I166-Y200 HydrophobicContact CG1-CE1 3.65Å; I166-Y200 HydrophobicContact CG1-CE2 4.43Å; I166-Y200 WeakPolarHBondContact CG1-OH 3.44Å
167	P	97.7	Very high	97	Very high	68 Å²	68	52.2 Å²	52.2	44%	0.442	27%	0.272	S	S	.	.	S	Bend	trans	-76.5	48	-179.4	34.6	-38.5	0	0	0	111.9	Y129 I153 F155	Y129-P167 VanDerWaalsContact CD1-O 3.28Å; Y129-P167 WeakPolarHBondContact CD1-O 3.23Å; Y129-P167 WeakPolarHBondContact CE1-O 3.43Å; I153-P167 HydrophobicContact CG2-CB 4.13Å; I153-P167 HydrophobicContact CG2-CG 3.92Å; F155-P167 HydrophobicContact CB-CG 3.92Å; F155-P167 HydrophobicContact CD1-CG 3.41Å; F155-P167 VanDerWaalsContact CD1-CG 3.41Å; F155-P167 HydrophobicContact CD2-CG 4.14Å; F155-P167 HydrophobicContact CE1-CG 3.88Å; F155-P167 HydrophobicContact CG-CG 3.56Å; F155-P167 HydrophobicContact CZ-CG 4.42Å
168	C	98.1	Very high	97.1	Very high	7 Å²	7	51.8 Å²	51.8	5%	0.047	27%	0.27	C	S	.	.	S	Bend	trans	-136.2	118.8	176.8	-179.2	0	0	0	0	108.8	M104 Y129 I166 Y200	M104-C168 HydrophobicContact SD-CB 4.49Å; Y129-C168 HydrophobicContact CD1-CB 3.87Å; Y129-C168 HydrophobicContact CE1-CB 4.05Å; Y129-C168 HydrophobicContact CG-CB 4.18Å; I166-C168 HydrophobicContact CD1-CB 4Å; I166-C168 HydrophobicContact CG1-CB 4Å; I166-C168 PolarHBondContact O-N 3.46Å; C168-Y200 HydrophobicContact CB-CD1 4.09Å; C168-Y200 HydrophobicContact CB-CE1 4.42Å; C168-Y200 VanDerWaalsContact O-CD1 3.29Å; C168-Y200 WeakPolarHBondContact O-CD1 3.1Å; C168-Y200 WeakPolarHBondContact O-CE1 3.27Å
169	P	97.8	Very high	97.1	Very high	74 Å²	74	50.3 Å²	50.3	48%	0.481	26%	0.262	S	S	.	.			trans	-65.3	146.1	178.3	-19.6	31.8	0	0	0	111.9	S172	P169-S172 WeakPolarHBondContact O-CB 3.32Å; P169-S172 PolarHBondContact O-OG 3.28Å
170	K	97.9	Very high	97.1	Very high	134 Å²	134	51.8 Å²	51.8	58%	0.583	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	150.8	172.1	-69	-175.8	178.2	176.4	0	111	S172 Y200	K170-S172 PolarHBondContact O-N 3.47Å; K170-Y200 HydrophobicContact CG-CD1 4.3Å; K170-Y200 HydrophobicContact CG-CE1 4.24Å
171	N	98.1	Very high	97.2	Very high	90 Å²	90	52.2 Å²	52.2	48%	0.481	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.6	35.3	-179.8	-53.6	-58.2	0	0	0	114.8	T199 Y200 L201 K202 K290	N171-T199 PolarHBondContact N-O 2.89Å; N171-Y200 CarbonylContact C-O 3.57Å; N171-Y200 PolarHBondContact N-O 3.23Å; N171-L201 WeakPolarHBondContact CA-O 3.27Å; N171-L201 PolarHBondContact OD1-O 3Å; N171-K202 WeakPolarHBondContact O-CB 3.35Å; N171-K290 PolarHBondContact OD1-NZ 3.24Å
172	S	98.1	Very high	97.3	Very high	25 Å²	25	47.3 Å²	47.3	18%	0.175	25%	0.249	C	C	.	.			trans	-114.7	-19.5	-174.3	71.1	0	0	0	0	114.4	P169 K170 Y200	P169-S172 WeakPolarHBondContact O-CB 3.32Å; P169-S172 PolarHBondContact O-OG 3.28Å; K170-S172 PolarHBondContact O-N 3.47Å; S172-Y200 PolarHBondContact N-O 2.94Å
173	L	98.5	Very high	97.5	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	131.9	-174.1	-59.5	175.3	0	0	0	112	H102 M104 Y129 Y200 L201 K202	H102-L173 HydrophobicContact CB-CD2 4.26Å; M104-L173 HydrophobicContact CB-CD1 3.4Å; M104-L173 HydrophobicContact CB-CD2 3.92Å; M104-L173 HydrophobicContact CB-CG 4.31Å; M104-L173 HydrophobicContact CE-CD1 3.83Å; M104-L173 HydrophobicContact CG-CD1 4.4Å; M104-L173 HydrophobicContact SD-CD1 4.28Å; Y129-L173 HydrophobicContact CD2-CD2 3.52Å; Y129-L173 HydrophobicContact CE2-CD2 3.8Å; L173-Y200 WeakPolarHBondContact CB-O 3.35Å; L173-Y200 PolarHBondContact N-O 3.36Å; L173-L201 HydrophobicContact CB-CD2 4.14Å; L173-K202 WeakPolarHBondContact O-CG 3.32Å; L173-K202 PolarHBondContact O-N 3.1Å
174	D	98.3	Very high	97.7	Very high	17 Å²	17	39 Å²	39	9%	0.091	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	-43.2	163.4	-64.8	-88	0	0	0	111	V101 H102 K202 G205 V206	V101-D174 WeakPolarHBondContact CA-OD2 3.39Å; V101-D174 HydrophobicContact CG1-CB 4.33Å; H102-D174 PolarHBondContact N-OD2 2.88Å; H102-D174 WeakPolarHBondContact O-CB 3.24Å; H102-D174 PolarHBondContact O-N 2.75Å; D174-K202 WeakPolarHBondContact OD1-CE 3.26Å; D174-K202 IonicContact OD1-NZ 2.55Å; D174-K202 PolarHBondContact OD1-NZ 3.26Å; D174-G205 CarbonylContact O-C 3.5Å; D174-G205 VanDerWaalsContact O-CA 3.3Å; D174-G205 WeakPolarHBondContact O-CA 3.19Å; D174-V206 PolarHBondContact O-N 3.24Å
175	F	98.6	Very high	98	Very high	18 Å²	18	35.4 Å²	35.4	8%	0.079	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	133.6	-175.3	-59.1	-77.7	0	0	0	112.2	E92 L93 V101 H102 I103 M104 V206 L208	E92-F175 HydrophobicContact CB-CE1 3.8Å; E92-F175 HydrophobicContact CB-CZ 4.03Å; E92-F175 VanDerWaalsContact O-CZ 3.24Å; E92-F175 WeakPolarHBondContact O-CZ 3.35Å; L93-F175 HydrophobicContact CD2-CB 3.63Å; L93-F175 HydrophobicContact CD2-CD1 4.03Å; L93-F175 HydrophobicContact CD2-CD2 3.72Å; L93-F175 HydrophobicContact CD2-CE2 4.37Å; L93-F175 HydrophobicContact CD2-CG 3.52Å; V101-F175 HydrophobicContact CG1-CD2 4.07Å; V101-F175 HydrophobicContact CG1-CE2 4.07Å; H102-F175 PolarHBondContact O-N 3.3Å; I103-F175 CarbonylContact C-O 3.42Å; I103-F175 WeakPolarHBondContact CA-O 3.26Å; I103-F175 HydrophobicContact CG1-CB 4.28Å; I103-F175 HydrophobicContact CG1-CD2 4.21Å; I103-F175 HydrophobicContact CG2-CB 4.29Å; M104-F175 PolarHBondContact N-O 3.41Å; F175-V206 WeakPolarHBondContact CA-O 3.33Å; F175-V206 HydrophobicContact CD1-CB 3.96Å; F175-V206 HydrophobicContact CE1-CB 4.13Å; F175-V206 HydrophobicContact CE1-CG2 4.44Å; F175-L208 HydrophobicContact CB-CD1 4.32Å; F175-L208 HydrophobicContact CD1-CD1 3.74Å; F175-L208 HydrophobicContact CD1-CG 4.28Å; F175-L208 HydrophobicContact CE1-CD1 4.47Å; F175-L208 HydrophobicContact CG-CD1 4.3Å
176	L	98.8	Very high	98.3	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	113.8	170	174.2	62.7	0	0	0	108.3	M104 V106 L178 L197 L201 V206 L207 L208	M104-L176 HydrophobicContact CB-CD1 4.16Å; M104-L176 HydrophobicContact CE-CD1 3.44Å; M104-L176 VanDerWaalsContact CE-CD1 3.44Å; M104-L176 HydrophobicContact CG-CD1 4.39Å; V106-L176 HydrophobicContact CG2-CD1 3.78Å; L176-L178 HydrophobicContact CD1-CD2 4.28Å; L176-L178 HydrophobicContact CG-CD2 4.35Å; L176-L197 HydrophobicContact CD2-CB 3.86Å; L176-L201 HydrophobicContact CB-CD1 4.05Å; L176-L201 HydrophobicContact CB-CD2 3.61Å; L176-L201 HydrophobicContact CB-CG 3.81Å; L176-L201 HydrophobicContact CD2-CD1 4.25Å; L176-L201 HydrophobicContact CD2-CG 4.34Å; L176-V206 PolarHBondContact N-O 2.8Å; L176-L207 HydrophobicContact CB-CD1 4.24Å; L176-L207 HydrophobicContact CD2-CD1 3.52Å; L176-L207 HydrophobicContact CG-CD1 3.79Å; L176-L207 CarbonylContact O-C 3.45Å; L176-L207 WeakPolarHBondContact O-CA 3.45Å; L176-L208 PolarHBondContact O-N 2.99Å
177	V	98.8	Very high	98.3	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	115.9	-172.7	-178.4	0	0	0	0	109.8	L93 I103 M104 E105 V106 T113 V179 L208	L93-V177 HydrophobicContact CD1-CG2 4.36Å; L93-V177 HydrophobicContact CD2-CG2 4.19Å; I103-V177 HydrophobicContact CG2-CG2 3.83Å; M104-V177 PolarHBondContact O-N 3.15Å; E105-V177 HydrophobicContact CB-CB 4.4Å; E105-V177 HydrophobicContact CG-CB 4.42Å; E105-V177 HydrophobicContact CG-CG1 4.32Å; V106-V177 PolarHBondContact N-O 2.97Å; T113-V177 HydrophobicContact CG2-CG1 4.27Å; V177-V179 HydrophobicContact CG1-CG2 3.59Å; V177-L208 WeakPolarHBondContact CA-O 3.47Å; V177-L208 HydrophobicContact CG2-CB 4.42Å; V177-L208 HydrophobicContact CG2-CD1 4.22Å
178	L	98.8	Very high	98.3	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.005	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	92.9	176.1	-56.8	-170	0	0	0	109.4	V106 L176 V181 L194 L197 L207 L208 F209 R210	V106-L178 HydrophobicContact CB-CD2 3.53Å; V106-L178 HydrophobicContact CG1-CD2 4.24Å; V106-L178 HydrophobicContact CG2-CD2 3.64Å; L176-L178 HydrophobicContact CD1-CD2 4.28Å; L176-L178 HydrophobicContact CG-CD2 4.35Å; L178-V181 HydrophobicContact CB-CG1 3.88Å; L178-V181 HydrophobicContact CD2-CG1 4.02Å; L178-V181 HydrophobicContact CG-CG1 4.48Å; L178-L194 HydrophobicContact CD1-CD2 3.79Å; L178-L197 HydrophobicContact CD2-CD1 4.18Å; L178-L207 HydrophobicContact CD1-CD1 3.77Å; L178-L207 HydrophobicContact CG-CD1 3.94Å; L178-L208 PolarHBondContact N-O 2.9Å; L178-F209 HydrophobicContact CB-CD2 3.95Å; L178-F209 HydrophobicContact CD1-CD2 4.47Å; L178-F209 VanDerWaalsContact O-CA 3.3Å; L178-F209 WeakPolarHBondContact O-CA 3.42Å; L178-R210 PolarHBondContact O-N 3.05Å
179	V	98.5	Very high	98.3	Very high	3 Å²	3	31.5 Å²	31.5	2%	0.018	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	109.7	-177	-178.5	0	0	0	0	110.6	W85 F90 V177 V181 R210	W85-V179 HydrophobicContact CH2-CG1 3.77Å; W85-V179 HydrophobicContact CH2-CG2 4.46Å; W85-V179 HydrophobicContact CZ2-CG1 4.11Å; F90-V179 HydrophobicContact CE2-CG2 4Å; V177-V179 HydrophobicContact CG1-CG2 3.59Å; V179-V181 VanDerWaalsContact C-N 3.26Å; V179-V181 PolarHBondContact O-N 3.14Å; V179-R210 CarbonylContact C-O 3.54Å; V179-R210 WeakPolarHBondContact CA-O 3.47Å; V179-R210 HydrophobicContact CG1-CB 4.31Å; V179-R210 HydrophobicContact CG2-CB 4.4Å
180	F	98	Very high	98.3	Very high	45 Å²	45	28.3 Å²	28.3	20%	0.197	14%	0.144	C	C	.	.	S	Bend	trans	57.4	33.7	-176.3	-57.4	-63.8	0	0	0	114.5	W85 R210 Y212 W283	W85-F180 HydrophobicContact CZ2-CE2 4.41Å; F180-R210 PolarHBondContact N-O 3.24Å; F180-Y212 HydrophobicContact CD1-CD2 4.01Å; F180-Y212 AromaticContact CD1-CE2 3.68Å; F180-Y212 HydrophobicContact CD1-CE2 3.68Å; F180-Y212 AromaticContact CD1-CZ 3.99Å; F180-Y212 HydrophobicContact CE1-CD2 4.43Å; F180-Y212 HydrophobicContact CE1-CE1 4.38Å; F180-Y212 HydrophobicContact CE1-CE2 4.25Å; F180-W283 AromaticContact CE1-CD1 3.4Å; F180-W283 VanDerWaalsContact CE1-CD1 3.4Å; F180-W283 AromaticContact CE1-NE1 3.44Å; F180-W283 AromaticContact CZ-CD1 3.65Å; F180-W283 AromaticContact CZ-NE1 3.5Å
181	V	98.7	Very high	98.4	Very high	17 Å²	17	25.9 Å²	25.9	10%	0.103	13%	0.134	C	C	.	.			trans	-113.8	-42.7	-179.1	67.1	0	0	0	0	112.9	V106 I159 L178 V179 S183 A184 D211	V106-V181 HydrophobicContact CB-CG1 4.48Å; V106-V181 HydrophobicContact CG1-CG2 4.17Å; V106-V181 WeakPolarHBondContact O-CG1 3.06Å; I159-V181 HydrophobicContact CD1-CG2 4.1Å; L178-V181 HydrophobicContact CB-CG1 3.88Å; L178-V181 HydrophobicContact CD2-CG1 4.02Å; L178-V181 HydrophobicContact CG-CG1 4.48Å; V179-V181 VanDerWaalsContact C-N 3.26Å; V179-V181 PolarHBondContact O-N 3.14Å; V181-S183 PolarHBondContact O-N 3.12Å; V181-A184 WeakPolarHBondContact O-CB 3.43Å; V181-A184 PolarHBondContact O-N 2.84Å; V181-D211 PolarHBondContact N-OD2 3.1Å
182	L	98.7	Very high	98.4	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.005	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	-67	-32.7	-176.6	-168.4	65.3	0	0	0	110.6	A184 V185 F190 L194 F209 D211 F244	L182-A184 PolarHBondContact O-N 3.4Å; L182-A184 VanDerWaalsContact O-N 3.15Å; L182-V185 WeakPolarHBondContact O-CB 3.41Å; L182-V185 PolarHBondContact O-N 2.91Å; L182-F190 HydrophobicContact CD1-CD1 3.69Å; L182-F190 HydrophobicContact CD1-CE1 4.07Å; L182-F190 HydrophobicContact CD1-CG 4.35Å; L182-F190 HydrophobicContact CG-CD1 3.95Å; L182-F190 HydrophobicContact CG-CE1 3.94Å; L182-F190 HydrophobicContact CG-CG 4.49Å; L182-F190 HydrophobicContact CG-CZ 4.47Å; L182-F190 WeakPolarHBondContact O-CE1 3.31Å; L182-L194 HydrophobicContact CD1-CD2 4.44Å; L182-L194 HydrophobicContact CD1-CG 4.45Å; L182-L194 HydrophobicContact CD2-CD1 4.21Å; L182-L194 HydrophobicContact CD2-CD2 4.33Å; L182-F209 HydrophobicContact CB-CE2 3.85Å; L182-F209 HydrophobicContact CD2-CE2 3.78Å; L182-F209 HydrophobicContact CG-CE2 4.47Å; L182-D211 PolarHBondContact N-OD2 3.11Å; L182-F244 HydrophobicContact CB-CZ 4.11Å; L182-F244 HydrophobicContact CD2-CE1 4.1Å; L182-F244 HydrophobicContact CD2-CZ 4Å; L182-F244 HydrophobicContact CG-CE1 4.4Å; L182-F244 HydrophobicContact CG-CZ 3.92Å
183	S	98.7	Very high	98.4	Very high	3 Å²	3	25.4 Å²	25.4	2%	0.021	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-60	-22	173.7	55.8	0	0	0	0	114.2	V181 V185 D211 V241 Y242	V181-S183 PolarHBondContact O-N 3.12Å; S183-V185 VanDerWaalsContact C-N 3.32Å; S183-D211 VanDerWaalsContact CB-CG 3.46Å; S183-D211 WeakPolarHBondContact CB-OD1 3.46Å; S183-D211 WeakPolarHBondContact CB-OD2 3.4Å; S183-D211 PolarHBondContact N-OD2 3.26Å; S183-D211 PolarHBondContact OG-OD1 3.34Å; S183-D211 PolarHBondContact OG-OD2 3.2Å; S183-D211 VanDerWaalsContact OG-OD2 3.06Å; S183-V241 CarbonylContact O-C 3.57Å; S183-V241 WeakPolarHBondContact O-CA 3.3Å; S183-Y242 VanDerWaalsContact CB-O 3.25Å; S183-Y242 WeakPolarHBondContact CB-O 3.44Å; S183-Y242 PolarHBondContact O-N 2.85Å
184	A	98.4	Very high	98.4	Very high	12 Å²	12	25.4 Å²	25.4	10%	0.099	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-82.7	-11.5	177.8	0	0	0	0	0	113.5	W68 V181 L182 R240	W68-A184 HydrophobicContact CZ2-CB 3.83Å; V181-A184 WeakPolarHBondContact O-CB 3.43Å; V181-A184 PolarHBondContact O-N 2.84Å; L182-A184 PolarHBondContact O-N 3.4Å; L182-A184 VanDerWaalsContact O-N 3.15Å; A184-R240 PolarHBondContact O-NE 3.37Å; A184-R240 PolarHBondContact O-NH2 3.38Å
185	V	98.3	Very high	98.4	Very high	8 Å²	8	30.6 Å²	30.6	5%	0.048	14%	0.144	C	C	.	.	S	Bend	trans	-89.2	147	-177.2	-179.9	0	0	0	0	110.1	I159 T160 L182 S183 L189 F190	I159-V185 HydrophobicContact CD1-CG2 3.78Å; I159-V185 HydrophobicContact CG1-CG2 4.15Å; T160-V185 HydrophobicContact CG2-CG1 3.86Å; L182-V185 WeakPolarHBondContact O-CB 3.41Å; L182-V185 PolarHBondContact O-N 2.91Å; S183-V185 VanDerWaalsContact C-N 3.32Å; V185-L189 HydrophobicContact CG1-CB 4.07Å; V185-F190 HydrophobicContact CB-CD1 4.2Å; V185-F190 HydrophobicContact CB-CE1 3.91Å; V185-F190 HydrophobicContact CG1-CD1 4.1Å; V185-F190 HydrophobicContact CG1-CE1 4.25Å; V185-F190 VanDerWaalsContact O-CE1 3.26Å; V185-F190 WeakPolarHBondContact O-CE1 3.29Å
186	N	97.7	Very high	98.4	Very high	20 Å²	20	30.7 Å²	30.7	11%	0.107	15%	0.145	C	C	.	.			trans	-61	128.3	171.6	176.9	-14.4	0	0	0	110.4	E61 E188 L189 F232	E61-N186 VanDerWaalsContact OE2-CB 3.3Å; E61-N186 WeakPolarHBondContact OE2-CB 3.32Å; E61-N186 PolarHBondContact OE2-ND2 3.22Å; N186-E188 PolarHBondContact O-N 3.37Å; N186-E188 VanDerWaalsContact O-N 3.11Å; N186-E188 PolarHBondContact OD1-N 3.26Å; N186-E188 VanDerWaalsContact OD1-N 3.11Å; N186-L189 HydrophobicContact CB-CD1 4.23Å; N186-L189 HydrophobicContact CB-CG 4.2Å; N186-L189 WeakPolarHBondContact O-CB 3.09Å; N186-L189 PolarHBondContact O-N 3.16Å; N186-F232 HydrophobicContact CB-CE1 4.44Å
187	P	98.2	Very high	98.4	Very high	29 Å²	29	30.7 Å²	30.7	19%	0.188	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-57.6	-28.3	-175.7	21	-33.3	0	0	0	114.9	L189 F190 K229 F232 Y242	P187-L189 PolarHBondContact O-N 3.25Å; P187-F190 HydrophobicContact CB-CD2 4.03Å; P187-F190 HydrophobicContact CB-CE1 4.49Å; P187-F190 HydrophobicContact CB-CE2 3.61Å; P187-F190 HydrophobicContact CB-CZ 3.89Å; P187-F190 WeakPolarHBondContact O-CB 3.14Å; P187-F190 WeakPolarHBondContact O-CG 3.14Å; P187-F190 PolarHBondContact O-N 3.36Å; P187-K229 HydrophobicContact CG-CD 4.37Å; P187-F232 HydrophobicContact CG-CB 4.48Å; P187-F232 HydrophobicContact CG-CD1 4.4Å; P187-F232 HydrophobicContact CG-CG 4.44Å; P187-Y242 HydrophobicContact CB-CD2 4.04Å; P187-Y242 HydrophobicContact CB-CE2 3.83Å; P187-Y242 HydrophobicContact CG-CD2 4.06Å; P187-Y242 HydrophobicContact CG-CE2 3.98Å
188	E	97.6	Very high	98.4	Very high	138 Å²	138	31.2 Å²	31.2	65%	0.645	15%	0.148	S	C	*	.	G	3₁₀ helix	trans	-66	-20.1	175.6	-70.9	168.2	177.7	0	0	113.2	N186 K229	N186-E188 PolarHBondContact O-N 3.37Å; N186-E188 VanDerWaalsContact O-N 3.11Å; N186-E188 PolarHBondContact OD1-N 3.26Å; N186-E188 VanDerWaalsContact OD1-N 3.11Å; E188-K229 IonicContact OE1-NZ 2.66Å; E188-K229 PolarHBondContact OE1-NZ 2.98Å; E188-K229 IonicContact OE2-NZ 2.78Å; E188-K229 PolarHBondContact OE2-NZ 3.14Å
189	L	98	Very high	98.3	Very high	27 Å²	27	33.1 Å²	33.1	14%	0.141	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-96.8	-6	-178.9	-52.5	-175.2	0	0	0	112.6	T160 V185 N186 P187 H191 R192 T193	T160-L189 HydrophobicContact CG2-CD1 3.83Å; V185-L189 HydrophobicContact CG1-CB 4.07Å; N186-L189 HydrophobicContact CB-CD1 4.23Å; N186-L189 HydrophobicContact CB-CG 4.2Å; N186-L189 WeakPolarHBondContact O-CB 3.09Å; N186-L189 PolarHBondContact O-N 3.16Å; P187-L189 PolarHBondContact O-N 3.25Å; L189-H191 PolarHBondContact O-N 2.95Å; L189-R192 HydrophobicContact CB-CG 4.43Å; L189-R192 VanDerWaalsContact O-CG 3.31Å; L189-R192 WeakPolarHBondContact O-CG 3.43Å; L189-R192 PolarHBondContact O-N 2.96Å; L189-T193 WeakPolarHBondContact O-CB 3.25Å; L189-T193 PolarHBondContact O-N 3.03Å; L189-T193 PolarHBondContact O-OG1 3.27Å
190	F	98.7	Very high	98.3	Very high	6 Å²	6	33.4 Å²	33.4	3%	0.026	16%	0.161	C	C	.	.	H	α-helix	trans	-55.4	-51.1	-176.6	-70.5	-13.7	0	0	0	112.7	L182 V185 P187 R192 T193 L194 Y242 F244 L252	L182-F190 HydrophobicContact CD1-CD1 3.69Å; L182-F190 HydrophobicContact CD1-CE1 4.07Å; L182-F190 HydrophobicContact CD1-CG 4.35Å; L182-F190 HydrophobicContact CG-CD1 3.95Å; L182-F190 HydrophobicContact CG-CE1 3.94Å; L182-F190 HydrophobicContact CG-CG 4.49Å; L182-F190 HydrophobicContact CG-CZ 4.47Å; L182-F190 WeakPolarHBondContact O-CE1 3.31Å; V185-F190 HydrophobicContact CB-CD1 4.2Å; V185-F190 HydrophobicContact CB-CE1 3.91Å; V185-F190 HydrophobicContact CG1-CD1 4.1Å; V185-F190 HydrophobicContact CG1-CE1 4.25Å; V185-F190 VanDerWaalsContact O-CE1 3.26Å; V185-F190 WeakPolarHBondContact O-CE1 3.29Å; P187-F190 HydrophobicContact CB-CD2 4.03Å; P187-F190 HydrophobicContact CB-CE1 4.49Å; P187-F190 HydrophobicContact CB-CE2 3.61Å; P187-F190 HydrophobicContact CB-CZ 3.89Å; P187-F190 WeakPolarHBondContact O-CB 3.14Å; P187-F190 WeakPolarHBondContact O-CG 3.14Å; P187-F190 PolarHBondContact O-N 3.36Å; F190-R192 PolarHBondContact O-N 2.57Å; F190-T193 PolarHBondContact O-N 3.22Å; F190-L194 VanDerWaalsContact O-CB 3.31Å; F190-L194 WeakPolarHBondContact O-CB 3.48Å; F190-L194 VanDerWaalsContact O-CG 3.29Å; F190-L194 WeakPolarHBondContact O-CG 3.37Å; F190-L194 PolarHBondContact O-N 3.23Å; F190-Y242 AromaticContact CE2-CD1 3.98Å; F190-Y242 HydrophobicContact CE2-CD1 3.98Å; F190-Y242 HydrophobicContact CE2-CD2 4.41Å; F190-Y242 HydrophobicContact CE2-CE1 4.15Å; F190-Y242 HydrophobicContact CE2-CG 4.13Å; F190-Y242 HydrophobicContact CZ-CD1 4.1Å; F190-Y242 HydrophobicContact CZ-CD2 4.27Å; F190-Y242 AromaticContact CZ-CG 3.87Å; F190-Y242 HydrophobicContact CZ-CG 3.87Å; F190-F244 HydrophobicContact CD2-CE1 4.19Å; F190-F244 HydrophobicContact CE1-CZ 4.48Å; F190-F244 HydrophobicContact CE2-CD1 4.43Å; F190-F244 AromaticContact CE2-CE1 3.44Å; F190-F244 HydrophobicContact CE2-CE1 3.44Å; F190-F244 VanDerWaalsContact CE2-CE1 3.44Å; F190-F244 AromaticContact CE2-CZ 4Å; F190-F244 HydrophobicContact CE2-CZ 4Å; F190-F244 AromaticContact CZ-CE1 3.71Å; F190-F244 HydrophobicContact CZ-CE1 3.71Å; F190-F244 AromaticContact CZ-CZ 3.75Å; F190-F244 HydrophobicContact CZ-CZ 3.75Å; F190-L252 HydrophobicContact CB-CD1 4.35Å; F190-L252 HydrophobicContact CB-CD2 3.94Å; F190-L252 HydrophobicContact CD2-CD1 3.86Å; F190-L252 HydrophobicContact CG-CD1 4.5Å
191	H	98.5	Very high	98.4	Very high	83 Å²	83	31.3 Å²	31.3	38%	0.384	15%	0.151	S	C	.	.	H	α-helix	trans	-60.7	-48	-176.6	-178.5	77.4	0	0	0	111.7	L189 K195	L189-H191 PolarHBondContact O-N 2.95Å; H191-K195 WeakPolarHBondContact O-CB 3.32Å; H191-K195 PolarHBondContact O-N 2.86Å
192	R	98.3	Very high	98.3	Very high	106 Å²	106	33.8 Å²	33.8	40%	0.4	16%	0.161	S	C	.	.	H	α-helix	trans	-65.2	-42.8	-179.3	77.5	174.9	-152.4	-161.5	0.9	111.9	T160 T162 L189 F190 K195 N196	T160-R192 VanDerWaalsContact O-CZ 3.25Å; T160-R192 PolarHBondContact O-NE 2.88Å; T160-R192 VanDerWaalsContact O-NE 3.1Å; T160-R192 PolarHBondContact O-NH2 3.39Å; T162-R192 HydrophobicContact CG2-CB 4.47Å; T162-R192 HydrophobicContact CG2-CG 4.22Å; T162-R192 WeakPolarHBondContact CG2-O 3.47Å; L189-R192 HydrophobicContact CB-CG 4.43Å; L189-R192 VanDerWaalsContact O-CG 3.31Å; L189-R192 WeakPolarHBondContact O-CG 3.43Å; L189-R192 PolarHBondContact O-N 2.96Å; F190-R192 PolarHBondContact O-N 2.57Å; R192-K195 PolarHBondContact O-N 2.93Å; R192-N196 PolarHBondContact O-N 3.42Å
193	T	98.5	Very high	98.3	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-64.1	-49.5	179.8	-74.1	0	0	0	0	110.7	I159 T160 L189 F190 K195 N196 L197	I159-T193 HydrophobicContact CB-CG2 4.06Å; I159-T193 HydrophobicContact CD1-CG2 3.88Å; I159-T193 HydrophobicContact CG1-CG2 3.93Å; I159-T193 VanDerWaalsContact O-CG2 3.3Å; I159-T193 WeakPolarHBondContact O-CG2 3.46Å; I159-T193 PolarHBondContact O-OG1 2.76Å; T160-T193 WeakPolarHBondContact CA-OG1 3.5Å; L189-T193 WeakPolarHBondContact O-CB 3.25Å; L189-T193 PolarHBondContact O-N 3.03Å; L189-T193 PolarHBondContact O-OG1 3.27Å; F190-T193 PolarHBondContact O-N 3.22Å; T193-K195 PolarHBondContact O-N 2.72Å; T193-N196 PolarHBondContact O-N 2.94Å; T193-L197 HydrophobicContact CG2-CD1 3.78Å; T193-L197 HydrophobicContact CG2-CG 4.4Å; T193-L197 VanDerWaalsContact O-CG 3.32Å; T193-L197 WeakPolarHBondContact O-CG 3.21Å; T193-L197 PolarHBondContact O-N 3.1Å
194	L	98.8	Very high	98.2	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-61.7	-45.6	177.2	-71.4	171.8	0	0	0	111.2	L178 L182 F190 N196 L197 V198 L252 F253 V256	L178-L194 HydrophobicContact CD1-CD2 3.79Å; L182-L194 HydrophobicContact CD1-CD2 4.44Å; L182-L194 HydrophobicContact CD1-CG 4.45Å; L182-L194 HydrophobicContact CD2-CD1 4.21Å; L182-L194 HydrophobicContact CD2-CD2 4.33Å; F190-L194 VanDerWaalsContact O-CB 3.31Å; F190-L194 WeakPolarHBondContact O-CB 3.48Å; F190-L194 VanDerWaalsContact O-CG 3.29Å; F190-L194 WeakPolarHBondContact O-CG 3.37Å; F190-L194 PolarHBondContact O-N 3.23Å; L194-N196 PolarHBondContact O-N 2.82Å; L194-L197 PolarHBondContact O-N 2.73Å; L194-L197 VanDerWaalsContact O-N 3.15Å; L194-V198 WeakPolarHBondContact O-CG1 3.43Å; L194-V198 WeakPolarHBondContact O-CG2 3.45Å; L194-V198 PolarHBondContact O-N 3.05Å; L194-L252 HydrophobicContact CD1-CB 4.02Å; L194-F253 HydrophobicContact CD1-CD1 4.03Å; L194-F253 HydrophobicContact CD1-CE1 3.89Å; L194-F253 HydrophobicContact CD2-CD1 4.36Å; L194-F253 HydrophobicContact CD2-CE1 3.87Å; L194-V256 HydrophobicContact CB-CG1 4.08Å; L194-V256 HydrophobicContact CB-CG2 4.33Å
195	K	98.4	Very high	98.2	Very high	126 Å²	126	39.5 Å²	39.5	55%	0.548	21%	0.206	S	C	.	.	H	α-helix	trans	-56.6	-37.3	177.9	-174.1	174.7	-176.5	174.6	0	112.3	H191 R192 T193 V198 T199 V256	H191-K195 WeakPolarHBondContact O-CB 3.32Å; H191-K195 PolarHBondContact O-N 2.86Å; R192-K195 PolarHBondContact O-N 2.93Å; T193-K195 PolarHBondContact O-N 2.72Å; K195-V198 WeakPolarHBondContact O-CG2 3.39Å; K195-T199 WeakPolarHBondContact O-CG2 3.48Å; K195-V256 HydrophobicContact CB-CG1 3.93Å
196	N	98.5	Very high	98.2	Very high	19 Å²	19	40 Å²	40	10%	0.102	21%	0.209	C	C	.	.	H	α-helix	trans	-71.7	-50	173.9	-173.3	48.2	0	0	0	112.3	T162 R192 T193 L194 V198 T199	T162-N196 HydrophobicContact CG2-CB 3.63Å; T162-N196 PolarHBondContact O-OD1 3.08Å; R192-N196 PolarHBondContact O-N 3.42Å; T193-N196 PolarHBondContact O-N 2.94Å; L194-N196 PolarHBondContact O-N 2.82Å; N196-V198 VanDerWaalsContact C-N 3.3Å; N196-V198 PolarHBondContact O-N 3.33Å; N196-T199 WeakPolarHBondContact O-CB 3.39Å; N196-T199 WeakPolarHBondContact O-CG2 3.34Å; N196-T199 PolarHBondContact O-N 3.04Å; N196-T199 PolarHBondContact O-OG1 3.24Å
197	L	98.5	Very high	98.3	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.005	20%	0.204	C	C	.	.	H	α-helix	trans	-60	-38	-176.2	-70.6	172.9	0	0	0	112.7	M104 V106 L176 L178 T193 L194 T199 Y200	M104-L197 HydrophobicContact CE-CD2 3.98Å; V106-L197 HydrophobicContact CG2-CD2 4.03Å; L176-L197 HydrophobicContact CD2-CB 3.86Å; L178-L197 HydrophobicContact CD2-CD1 4.18Å; T193-L197 HydrophobicContact CG2-CD1 3.78Å; T193-L197 HydrophobicContact CG2-CG 4.4Å; T193-L197 VanDerWaalsContact O-CG 3.32Å; T193-L197 WeakPolarHBondContact O-CG 3.21Å; T193-L197 PolarHBondContact O-N 3.1Å; L194-L197 PolarHBondContact O-N 2.73Å; L194-L197 VanDerWaalsContact O-N 3.15Å; L197-T199 PolarHBondContact O-N 3.42Å; L197-Y200 WeakPolarHBondContact O-CD2 3.3Å; L197-Y200 PolarHBondContact O-N 3.24Å
198	V	98.4	Very high	98.3	Very high	11 Å²	11	37.7 Å²	37.7	7%	0.067	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-14	177.9	-59.5	0	0	0	0	113.4	L194 K195 N196 Y200 L201 V256 L258 K290	L194-V198 WeakPolarHBondContact O-CG1 3.43Å; L194-V198 WeakPolarHBondContact O-CG2 3.45Å; L194-V198 PolarHBondContact O-N 3.05Å; K195-V198 WeakPolarHBondContact O-CG2 3.39Å; N196-V198 VanDerWaalsContact C-N 3.3Å; N196-V198 PolarHBondContact O-N 3.33Å; V198-Y200 PolarHBondContact O-N 2.88Å; V198-L201 PolarHBondContact O-N 3.15Å; V198-V256 HydrophobicContact CG1-CG2 3.93Å; V198-V256 HydrophobicContact CG2-CB 4.18Å; V198-V256 HydrophobicContact CG2-CG2 4.37Å; V198-L258 HydrophobicContact CB-CD2 4.34Å; V198-L258 HydrophobicContact CG1-CD1 3.79Å; V198-L258 HydrophobicContact CG1-CD2 4Å; V198-L258 HydrophobicContact CG1-CG 4.04Å; V198-K290 WeakPolarHBondContact O-CD 3.4Å; V198-K290 PolarHBondContact O-NZ 3.39Å
199	T	98	Very high	98.4	Very high	40 Å²	40	31.1 Å²	31.1	25%	0.245	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-21.4	174.5	72.2	0	0	0	0	112.8	N171 K195 N196 L197	N171-T199 PolarHBondContact N-O 2.89Å; K195-T199 WeakPolarHBondContact O-CG2 3.48Å; N196-T199 WeakPolarHBondContact O-CB 3.39Å; N196-T199 WeakPolarHBondContact O-CG2 3.34Å; N196-T199 PolarHBondContact O-N 3.04Å; N196-T199 PolarHBondContact O-OG1 3.24Å; L197-T199 PolarHBondContact O-N 3.42Å
200	Y	98.5	Very high	98.4	Very high	10 Å²	10	30 Å²	30	4%	0.039	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-24.6	177.8	-57.4	-79.8	0	0	0	113.3	M104 I166 C168 K170 N171 S172 L173 L197 V198	M104-Y200 HydrophobicContact CE-CD2 4.14Å; M104-Y200 HydrophobicContact CE-CG 4.38Å; I166-Y200 HydrophobicContact CD1-CD1 4.25Å; I166-Y200 HydrophobicContact CD1-CD2 4.29Å; I166-Y200 HydrophobicContact CD1-CE1 3.68Å; I166-Y200 HydrophobicContact CD1-CE2 3.75Å; I166-Y200 VanDerWaalsContact CD1-CZ 3.41Å; I166-Y200 HydrophobicContact CG1-CE1 3.65Å; I166-Y200 HydrophobicContact CG1-CE2 4.43Å; I166-Y200 WeakPolarHBondContact CG1-OH 3.44Å; C168-Y200 HydrophobicContact CB-CD1 4.09Å; C168-Y200 HydrophobicContact CB-CE1 4.42Å; C168-Y200 VanDerWaalsContact O-CD1 3.29Å; C168-Y200 WeakPolarHBondContact O-CD1 3.1Å; C168-Y200 WeakPolarHBondContact O-CE1 3.27Å; K170-Y200 HydrophobicContact CG-CD1 4.3Å; K170-Y200 HydrophobicContact CG-CE1 4.24Å; N171-Y200 CarbonylContact C-O 3.57Å; N171-Y200 PolarHBondContact N-O 3.23Å; S172-Y200 PolarHBondContact N-O 2.94Å; L173-Y200 WeakPolarHBondContact CB-O 3.35Å; L173-Y200 PolarHBondContact N-O 3.36Å; L197-Y200 WeakPolarHBondContact O-CD2 3.3Å; L197-Y200 PolarHBondContact O-N 3.24Å; V198-Y200 PolarHBondContact O-N 2.88Å
201	L	98.7	Very high	98.4	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	135.6	171.1	-76.6	174.4	0	0	0	110.7	N171 L173 L176 V198 L207 L258 K290	N171-L201 WeakPolarHBondContact CA-O 3.27Å; N171-L201 PolarHBondContact OD1-O 3Å; L173-L201 HydrophobicContact CB-CD2 4.14Å; L176-L201 HydrophobicContact CB-CD1 4.05Å; L176-L201 HydrophobicContact CB-CD2 3.61Å; L176-L201 HydrophobicContact CB-CG 3.81Å; L176-L201 HydrophobicContact CD2-CD1 4.25Å; L176-L201 HydrophobicContact CD2-CG 4.34Å; V198-L201 PolarHBondContact O-N 3.15Å; L201-L207 HydrophobicContact CD1-CB 4.28Å; L201-L258 HydrophobicContact CD1-CD2 4.36Å; L201-K290 HydrophobicContact CB-CB 4.26Å; L201-K290 HydrophobicContact CB-CD 3.71Å; L201-K290 HydrophobicContact CD1-CB 4.46Å; L201-K290 VanDerWaalsContact O-CD 3.27Å; L201-K290 WeakPolarHBondContact O-CD 3.34Å; L201-K290 WeakPolarHBondContact O-CE 3.4Å; L201-K290 PolarHBondContact O-NZ 2.87Å
202	K	98.1	Very high	98.4	Very high	70 Å²	70	27.4 Å²	27.4	30%	0.304	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	161	167.5	71.7	-173.8	-177.8	179.5	0	111.1	N171 L173 D174 G204 G205	N171-K202 WeakPolarHBondContact O-CB 3.35Å; L173-K202 WeakPolarHBondContact O-CG 3.32Å; L173-K202 PolarHBondContact O-N 3.1Å; D174-K202 WeakPolarHBondContact OD1-CE 3.26Å; D174-K202 IonicContact OD1-NZ 2.55Å; D174-K202 PolarHBondContact OD1-NZ 3.26Å; K202-G204 PolarHBondContact O-N 2.96Å; K202-G205 WeakPolarHBondContact O-CA 3.34Å; K202-G205 PolarHBondContact O-N 2.84Å
203	P	98.1	Very high	98.4	Very high	83 Å²	83	22.3 Å²	22.3	54%	0.539	13%	0.126	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.1	129.6	164.3	-24.5	34.9	0	0	0	110.7	G205	P203-G205 VanDerWaalsContact C-N 3.26Å; P203-G205 PolarHBondContact O-N 2.99Å
204	G	97.2	Very high	98.4	Very high	51 Å²	51	23.9 Å²	23.9	53%	0.526	13%	0.132	S	C	.	.	E	Extended strand (participates in β ladder)	trans	79.2	-4.4	-170.6	0	0	0	0	0	115.5	K202 K290	K202-G204 PolarHBondContact O-N 2.96Å; G204-K290 WeakPolarHBondContact CA-O 3.38Å; G204-K290 PolarHBondContact N-O 3.2Å
205	G	98.1	Very high	98.3	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.01	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	156.1	171.6	0	0	0	0	0	111.9	D174 K202 P203 N289 K290	D174-G205 CarbonylContact O-C 3.5Å; D174-G205 VanDerWaalsContact O-CA 3.3Å; D174-G205 WeakPolarHBondContact O-CA 3.19Å; K202-G205 WeakPolarHBondContact O-CA 3.34Å; K202-G205 PolarHBondContact O-N 2.84Å; P203-G205 VanDerWaalsContact C-N 3.26Å; P203-G205 PolarHBondContact O-N 2.99Å; G205-N289 CarbonylContact O-C 3.59Å; G205-N289 WeakPolarHBondContact O-CA 3.48Å; G205-K290 PolarHBondContact O-N 3.3Å
206	V	98.5	Very high	98.3	Very high	20 Å²	20	19.8 Å²	19.8	12%	0.121	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	126.2	-169.7	-176.9	0	0	0	0	111.8	D174 F175 L176 L208 I261 Y288	D174-V206 PolarHBondContact O-N 3.24Å; F175-V206 WeakPolarHBondContact CA-O 3.33Å; F175-V206 HydrophobicContact CD1-CB 3.96Å; F175-V206 HydrophobicContact CE1-CB 4.13Å; F175-V206 HydrophobicContact CE1-CG2 4.44Å; L176-V206 PolarHBondContact N-O 2.8Å; V206-L208 HydrophobicContact CG1-CD2 3.73Å; V206-L208 HydrophobicContact CG1-CG 4.23Å; V206-I261 HydrophobicContact CG1-CD1 4.02Å; V206-I261 HydrophobicContact CG2-CD1 4.13Å; V206-Y288 CarbonylContact C-O 3.58Å; V206-Y288 WeakPolarHBondContact CA-O 3.24Å
207	L	98.8	Very high	98.2	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	125.5	162.6	-179	88.8	0	0	0	109.4	L176 L178 L201 F209 F253 L258 K287 Y288	L176-L207 HydrophobicContact CB-CD1 4.24Å; L176-L207 HydrophobicContact CD2-CD1 3.52Å; L176-L207 HydrophobicContact CG-CD1 3.79Å; L176-L207 CarbonylContact O-C 3.45Å; L176-L207 WeakPolarHBondContact O-CA 3.45Å; L178-L207 HydrophobicContact CD1-CD1 3.77Å; L178-L207 HydrophobicContact CG-CD1 3.94Å; L201-L207 HydrophobicContact CD1-CB 4.28Å; L207-F209 HydrophobicContact CD2-CB 4.46Å; L207-F253 HydrophobicContact CD2-CD1 3.56Å; L207-F253 HydrophobicContact CD2-CD2 4.23Å; L207-F253 HydrophobicContact CD2-CE1 3.43Å; L207-F253 VanDerWaalsContact CD2-CE1 3.43Å; L207-F253 HydrophobicContact CD2-CE2 4.09Å; L207-F253 HydrophobicContact CD2-CG 3.99Å; L207-F253 HydrophobicContact CD2-CZ 3.71Å; L207-L258 HydrophobicContact CB-CD1 3.9Å; L207-L258 HydrophobicContact CD2-CD1 3.83Å; L207-L258 HydrophobicContact CG-CD1 4.37Å; L207-K287 WeakPolarHBondContact O-CA 3.46Å; L207-Y288 PolarHBondContact N-O 3.36Å; L207-Y288 PolarHBondContact O-N 3.02Å
208	L	98.7	Very high	98	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	116.8	174.3	-59.6	173	0	0	0	108.7	F90 L93 F175 L176 V177 L178 V206 K287	F90-L208 HydrophobicContact CB-CD1 4.04Å; F90-L208 HydrophobicContact CB-CD2 4.46Å; F90-L208 HydrophobicContact CD1-CB 4.14Å; F90-L208 HydrophobicContact CD1-CD2 3.81Å; F90-L208 HydrophobicContact CD1-CG 4.39Å; F90-L208 HydrophobicContact CD2-CB 4.14Å; F90-L208 HydrophobicContact CD2-CD1 4.38Å; F90-L208 HydrophobicContact CE1-CB 4.05Å; F90-L208 HydrophobicContact CE1-CD2 4.28Å; F90-L208 HydrophobicContact CE2-CB 4.1Å; F90-L208 HydrophobicContact CG-CB 4.2Å; F90-L208 HydrophobicContact CG-CD1 4.11Å; F90-L208 HydrophobicContact CG-CD2 4.2Å; F90-L208 HydrophobicContact CG-CG 4.41Å; F90-L208 HydrophobicContact CZ-CB 4.06Å; L93-L208 HydrophobicContact CD1-CD1 3.67Å; L93-L208 HydrophobicContact CD2-CD1 3.61Å; L93-L208 HydrophobicContact CG-CD1 3.4Å; L93-L208 VanDerWaalsContact CG-CD1 3.4Å; F175-L208 HydrophobicContact CB-CD1 4.32Å; F175-L208 HydrophobicContact CD1-CD1 3.74Å; F175-L208 HydrophobicContact CD1-CG 4.28Å; F175-L208 HydrophobicContact CE1-CD1 4.47Å; F175-L208 HydrophobicContact CG-CD1 4.3Å; L176-L208 PolarHBondContact O-N 2.99Å; V177-L208 WeakPolarHBondContact CA-O 3.47Å; V177-L208 HydrophobicContact CG2-CB 4.42Å; V177-L208 HydrophobicContact CG2-CD1 4.22Å; L178-L208 PolarHBondContact N-O 2.9Å; V206-L208 HydrophobicContact CG1-CD2 3.73Å; V206-L208 HydrophobicContact CG1-CG 4.23Å; L208-K287 HydrophobicContact CD2-CB 4.41Å; L208-K287 HydrophobicContact CD2-CD 4.34Å; L208-K287 HydrophobicContact CD2-CG 3.89Å
209	F	98.8	Very high	98	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	135.9	-172.1	171.2	-81.7	0	0	0	111.1	L178 L182 L207 D211 F244 L249 F253 Q285 C286	L178-F209 HydrophobicContact CB-CD2 3.95Å; L178-F209 HydrophobicContact CD1-CD2 4.47Å; L178-F209 VanDerWaalsContact O-CA 3.3Å; L178-F209 WeakPolarHBondContact O-CA 3.42Å; L182-F209 HydrophobicContact CB-CE2 3.85Å; L182-F209 HydrophobicContact CD2-CE2 3.78Å; L182-F209 HydrophobicContact CG-CE2 4.47Å; L207-F209 HydrophobicContact CD2-CB 4.46Å; F209-D211 HydrophobicContact CE1-CB 3.7Å; F209-D211 HydrophobicContact CE2-CB 3.98Å; F209-D211 HydrophobicContact CZ-CB 3.3Å; F209-F244 HydrophobicContact CZ-CD2 4.13Å; F209-F244 HydrophobicContact CZ-CE2 4.08Å; F209-F244 HydrophobicContact CZ-CZ 4.46Å; F209-L249 HydrophobicContact CD1-CD1 4.25Å; F209-L249 HydrophobicContact CD1-CD2 4.48Å; F209-L249 HydrophobicContact CE1-CD1 3.48Å; F209-L249 VanDerWaalsContact CE1-CD1 3.48Å; F209-L249 HydrophobicContact CE1-CD2 3.77Å; F209-L249 HydrophobicContact CE1-CG 4.3Å; F209-L249 HydrophobicContact CE2-CD2 4.07Å; F209-L249 HydrophobicContact CZ-CD1 3.98Å; F209-L249 HydrophobicContact CZ-CD2 3.51Å; F209-L249 HydrophobicContact CZ-CG 4.42Å; F209-F253 HydrophobicContact CB-CE2 4.41Å; F209-F253 HydrophobicContact CB-CZ 4.1Å; F209-F253 HydrophobicContact CD1-CE2 4.46Å; F209-F253 HydrophobicContact CD1-CZ 4.33Å; F209-F253 AromaticContact CD2-CZ 3.72Å; F209-F253 HydrophobicContact CD2-CZ 3.72Å; F209-F253 HydrophobicContact CE2-CZ 4.17Å; F209-F253 HydrophobicContact CG-CE2 4.25Å; F209-F253 AromaticContact CG-CZ 3.79Å; F209-F253 HydrophobicContact CG-CZ 3.79Å; F209-Q285 CarbonylContact O-C 3.51Å; F209-Q285 WeakPolarHBondContact O-CA 3.37Å; F209-C286 HydrophobicContact CB-CB 3.98Å; F209-C286 HydrophobicContact CD1-CB 3.97Å; F209-C286 HydrophobicContact CG-CB 4.36Å; F209-C286 PolarHBondContact N-O 2.96Å; F209-C286 PolarHBondContact O-N 3.05Å
210	R	98.5	Very high	97.9	Very high	4 Å²	4	20 Å²	20	2%	0.015	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	123.3	166.6	-176.1	-173.9	175.3	88.2	4.6	110.7	W85 E89 F90 L178 V179 F180 D266 W283 I284	W85-R210 HydrophobicContact CH2-CB 4.4Å; W85-R210 HydrophobicContact CH2-CG 4.41Å; E89-R210 IonicContact OE1-CZ 3.64Å; E89-R210 IonicContact OE1-NH1 3.47Å; E89-R210 PolarHBondContact OE1-NH1 3.45Å; E89-R210 WeakPolarHBondContact OE2-CD 3.48Å; E89-R210 IonicContact OE2-CZ 3.25Å; E89-R210 IonicContact OE2-NE 3.73Å; E89-R210 IonicContact OE2-NH1 3.26Å; E89-R210 PolarHBondContact OE2-NH1 2.54Å; F90-R210 HydrophobicContact CZ-CB 4.12Å; L178-R210 PolarHBondContact O-N 3.05Å; V179-R210 CarbonylContact C-O 3.54Å; V179-R210 WeakPolarHBondContact CA-O 3.47Å; V179-R210 HydrophobicContact CG1-CB 4.31Å; V179-R210 HydrophobicContact CG2-CB 4.4Å; F180-R210 PolarHBondContact N-O 3.24Å; R210-D266 IonicContact CZ-OD2 3.31Å; R210-D266 IonicContact NH1-OD2 2.82Å; R210-D266 PolarHBondContact NH1-OD2 3.43Å; R210-D266 IonicContact NH2-OD2 2.75Å; R210-D266 PolarHBondContact NH2-OD2 3.46Å; R210-W283 VanDerWaalsContact NH2-CE3 3.26Å; R210-I284 VanDerWaalsContact CA-O 3.28Å; R210-I284 WeakPolarHBondContact CA-O 3.5Å
211	D	98.7	Very high	97.8	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	-179.3	178.9	-140	-37.7	0	0	0	112.5	V181 L182 S183 F209 F244 W283 I284	V181-D211 PolarHBondContact N-OD2 3.1Å; L182-D211 PolarHBondContact N-OD2 3.11Å; S183-D211 VanDerWaalsContact CB-CG 3.46Å; S183-D211 WeakPolarHBondContact CB-OD1 3.46Å; S183-D211 WeakPolarHBondContact CB-OD2 3.4Å; S183-D211 PolarHBondContact N-OD2 3.26Å; S183-D211 PolarHBondContact OG-OD1 3.34Å; S183-D211 PolarHBondContact OG-OD2 3.2Å; S183-D211 VanDerWaalsContact OG-OD2 3.06Å; F209-D211 HydrophobicContact CE1-CB 3.7Å; F209-D211 HydrophobicContact CE2-CB 3.98Å; F209-D211 HydrophobicContact CZ-CB 3.3Å; D211-F244 HydrophobicContact CB-CD2 4.02Å; D211-F244 HydrophobicContact CB-CE2 3.9Å; D211-W283 CarbonylContact O-C 3.53Å; D211-W283 VanDerWaalsContact O-CA 3.23Å; D211-W283 WeakPolarHBondContact O-CA 3.47Å; D211-W283 WeakPolarHBondContact O-CB 3.39Å; D211-I284 PolarHBondContact N-O 3.27Å; D211-I284 PolarHBondContact O-N 3.44Å
212	Y	98.6	Very high	97.6	Very high	33 Å²	33	27.1 Å²	27.1	13%	0.129	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	132.3	-177.9	-60.7	-84.9	0	0	0	112.4	F180 R235 V241 F243 F244	F180-Y212 HydrophobicContact CD1-CD2 4.01Å; F180-Y212 AromaticContact CD1-CE2 3.68Å; F180-Y212 HydrophobicContact CD1-CE2 3.68Å; F180-Y212 AromaticContact CD1-CZ 3.99Å; F180-Y212 HydrophobicContact CE1-CD2 4.43Å; F180-Y212 HydrophobicContact CE1-CE1 4.38Å; F180-Y212 HydrophobicContact CE1-CE2 4.25Å; Y212-R235 PolarHBondContact OH-NH2 3.42Å; Y212-V241 HydrophobicContact CD2-CG2 3.42Å; Y212-V241 VanDerWaalsContact CD2-CG2 3.42Å; Y212-V241 HydrophobicContact CE2-CG2 3.77Å; Y212-V241 HydrophobicContact CG-CG2 3.98Å; Y212-F243 HydrophobicContact CD1-CE1 4.16Å; Y212-F243 HydrophobicContact CG-CD1 4.38Å; Y212-F243 HydrophobicContact CG-CE1 4.09Å; Y212-F244 WeakPolarHBondContact O-CD2 3.49Å; Y212-F244 PolarHBondContact O-N 3.37Å
213	G	98.2	Very high	97.3	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.158	C	C	.	.	B	Isolated β-bridge	trans	-93.3	155.4	173.8	0	0	0	0	0	112.8	D216 F243 F244 I282	G213-D216 WeakPolarHBondContact O-CB 3.36Å; G213-D216 PolarHBondContact O-N 3.15Å; G213-D216 VanDerWaalsContact O-N 3.14Å; G213-F243 WeakPolarHBondContact O-CD1 3.31Å; G213-F244 CarbonylContact C-O 3.55Å; G213-F244 WeakPolarHBondContact CA-O 3.27Å; G213-I282 PolarHBondContact N-O 3.26Å
214	R	97.7	Very high	96.9	Very high	33 Å²	33	31.2 Å²	31.2	13%	0.125	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.8	138.5	171	-179.5	71.7	61.6	-107.5	-7.9	110.8	D216 N231 F243 F244 T245 E248 I282	R214-D216 VanDerWaalsContact C-N 3.26Å; R214-D216 PolarHBondContact O-N 3.44Å; R214-N231 PolarHBondContact NE-OD1 3.47Å; R214-N231 PolarHBondContact NH1-OD1 2.85Å; R214-N231 PolarHBondContact NH2-ND2 3.29Å; R214-F243 VanDerWaalsContact NH1-CB 3.27Å; R214-F243 PolarHBondContact NH1-O 3.05Å; R214-F243 PolarHBondContact NH2-O 3.38Å; R214-F244 PolarHBondContact N-O 2.95Å; R214-T245 HydrophobicContact CB-CG2 4.11Å; R214-T245 HydrophobicContact CG-CG2 4.42Å; R214-E248 IonicContact NH2-OE2 2.91Å; R214-I282 WeakPolarHBondContact O-CD1 3.34Å
215	F	96.8	Very high	96.5	Very high	40 Å²	40	30.4 Å²	30.4	18%	0.175	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.4	8.1	-177.4	-43.2	-60.1	0	0	0	115.9	W32 E37 A40 K41 I44 I282	W32-F215 HydrophobicContact CH2-CB 3.87Å; W32-F215 WeakPolarHBondContact CH2-O 3.33Å; W32-F215 HydrophobicContact CZ3-CB 3.98Å; E37-F215 HydrophobicContact CG-CE2 4.17Å; E37-F215 HydrophobicContact CG-CZ 4.46Å; A40-F215 HydrophobicContact CB-CB 4.4Å; A40-F215 HydrophobicContact CB-CD1 3.84Å; A40-F215 HydrophobicContact CB-CE1 4.48Å; A40-F215 HydrophobicContact CB-CG 4.32Å; K41-F215 HydrophobicContact CG-CE1 3.89Å; K41-F215 HydrophobicContact CG-CZ 3.93Å; I44-F215 HydrophobicContact CD1-CD1 3.35Å; I44-F215 HydrophobicContact CD1-CE1 3.59Å; I44-F215 HydrophobicContact CD1-CG 4.49Å; F215-I282 HydrophobicContact CB-CD1 3.91Å
216	D	97.9	Very high	96.4	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.157	C	C	.	.			trans	-53.2	145.5	170.8	179.9	74.5	0	0	0	110.7	G213 R214 A218 Q219 L220 F243 R281 I282	G213-D216 WeakPolarHBondContact O-CB 3.36Å; G213-D216 PolarHBondContact O-N 3.15Å; G213-D216 VanDerWaalsContact O-N 3.14Å; R214-D216 VanDerWaalsContact C-N 3.26Å; R214-D216 PolarHBondContact O-N 3.44Å; D216-A218 PolarHBondContact O-N 3.27Å; D216-A218 WeakPolarHBondContact OD2-CB 3.46Å; D216-A218 PolarHBondContact OD2-N 2.75Å; D216-Q219 WeakPolarHBondContact O-CA 3.26Å; D216-Q219 VanDerWaalsContact O-CB 3.3Å; D216-Q219 WeakPolarHBondContact O-CB 3.21Å; D216-Q219 PolarHBondContact O-N 2.86Å; D216-L220 PolarHBondContact O-N 2.86Å; D216-F243 HydrophobicContact CB-CD1 4.04Å; D216-F243 HydrophobicContact CB-CE1 3.91Å; D216-R281 WeakPolarHBondContact OD1-CA 3.49Å; D216-R281 IonicContact OD1-CZ 3.28Å; D216-R281 IonicContact OD1-NE 3.46Å; D216-R281 PolarHBondContact OD1-NE 3.01Å; D216-R281 IonicContact OD1-NH2 2.66Å; D216-R281 IonicContact OD2-CZ 3.7Å; D216-R281 IonicContact OD2-NE 3.72Å; D216-R281 PolarHBondContact OD2-NE 2.99Å; D216-R281 IonicContact OD2-NH2 3.76Å; D216-I282 HydrophobicContact CB-CB 4.16Å; D216-I282 PolarHBondContact OD1-N 3.2Å
217	L	96.6	Very high	96.3	Very high	27 Å²	27	31.3 Å²	31.3	14%	0.141	15%	0.152	C	C	.	.	H	α-helix	trans	-46.9	-35.7	177	-179.6	64.4	0	0	0	113.7	R221 M279 Y280	L217-R221 HydrophobicContact CD1-CG 4.28Å; L217-R221 WeakPolarHBondContact O-CB 3.31Å; L217-R221 VanDerWaalsContact O-CG 3.27Å; L217-R221 WeakPolarHBondContact O-CG 3.38Å; L217-R221 PolarHBondContact O-N 3.46Å; L217-M279 HydrophobicContact CD2-CB 3.61Å; L217-M279 HydrophobicContact CD2-CG 3.67Å; L217-M279 HydrophobicContact CD2-SD 4.26Å; L217-Y280 VanDerWaalsContact CB-O 3.24Å; L217-Y280 WeakPolarHBondContact CB-O 3.29Å; L217-Y280 PolarHBondContact N-O 3.1Å
218	A	95.6	Very high	96.3	Very high	20 Å²	20	31.5 Å²	31.5	17%	0.165	15%	0.152	C	C	.	.	H	α-helix	trans	-64.5	-40.1	176.9	0	0	0	0	0	111.8	D216 R221 F222 F243	D216-A218 PolarHBondContact O-N 3.27Å; D216-A218 WeakPolarHBondContact OD2-CB 3.46Å; D216-A218 PolarHBondContact OD2-N 2.75Å; A218-R221 PolarHBondContact O-N 2.89Å; A218-F222 WeakPolarHBondContact O-CD2 3.5Å; A218-F222 WeakPolarHBondContact O-CE2 3.26Å; A218-F243 HydrophobicContact CB-CE1 4.06Å; A218-F243 HydrophobicContact CB-CZ 3.91Å
219	Q	97.8	Very high	96.2	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-61.5	-47.3	177	-165.5	174.2	8.4	0	0	110.9	I44 D216 R221 F222 N231 Y233 F243	I44-Q219 VanDerWaalsContact CD1-CD 3.47Å; I44-Q219 HydrophobicContact CD1-CG 4.21Å; I44-Q219 HydrophobicContact CG1-CG 4.2Å; D216-Q219 WeakPolarHBondContact O-CA 3.26Å; D216-Q219 VanDerWaalsContact O-CB 3.3Å; D216-Q219 WeakPolarHBondContact O-CB 3.21Å; D216-Q219 PolarHBondContact O-N 2.86Å; Q219-R221 PolarHBondContact O-N 3.11Å; Q219-F222 PolarHBondContact O-N 2.71Å; Q219-N231 PolarHBondContact NE2-OD1 2.69Å; Q219-Y233 HydrophobicContact CG-CE2 3.71Å; Q219-Y233 PolarHBondContact NE2-OH 3.4Å; Q219-F243 VanDerWaalsContact CA-CZ 3.47Å; Q219-F243 HydrophobicContact CB-CD1 3.72Å; Q219-F243 HydrophobicContact CB-CD2 3.77Å; Q219-F243 HydrophobicContact CB-CE1 3.65Å; Q219-F243 HydrophobicContact CB-CE2 3.68Å; Q219-F243 HydrophobicContact CB-CG 3.79Å; Q219-F243 HydrophobicContact CB-CZ 3.63Å; Q219-F243 HydrophobicContact CG-CB 4.46Å; Q219-F243 HydrophobicContact CG-CD1 4.33Å; Q219-F243 HydrophobicContact CG-CD2 3.6Å; Q219-F243 HydrophobicContact CG-CE2 3.83Å; Q219-F243 HydrophobicContact CG-CG 3.87Å; Q219-F243 HydrophobicContact CG-CZ 4.31Å; Q219-F243 VanDerWaalsContact N-CZ 3.25Å
220	L	96.5	Very high	96.1	Very high	29 Å²	29	38.2 Å²	38.2	15%	0.152	19%	0.186	C	C	.	.	H	α-helix	trans	-69.3	-16.1	-175.3	-56.8	-173	0	0	0	113.6	W32 A40 M43 I44 N47 D216	W32-L220 HydrophobicContact CH2-CD1 3.84Å; W32-L220 HydrophobicContact CZ3-CD1 4.48Å; A40-L220 HydrophobicContact CB-CD1 3.89Å; A40-L220 HydrophobicContact CB-CD2 3.85Å; M43-L220 HydrophobicContact CB-CD2 4.3Å; M43-L220 HydrophobicContact SD-CB 4.35Å; I44-L220 HydrophobicContact CD1-CD2 4.18Å; I44-L220 HydrophobicContact CG1-CD2 3.83Å; N47-L220 PolarHBondContact ND2-O 3.1Å; D216-L220 PolarHBondContact O-N 2.86Å
221	R	95.2	Very high	96	Very high	149 Å²	149	39.4 Å²	39.4	56%	0.562	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.2	-10	-177.8	-78.3	179.8	174.5	-173.8	0.8	114.8	L217 A218 Q219	L217-R221 HydrophobicContact CD1-CG 4.28Å; L217-R221 WeakPolarHBondContact O-CB 3.31Å; L217-R221 VanDerWaalsContact O-CG 3.27Å; L217-R221 WeakPolarHBondContact O-CG 3.38Å; L217-R221 PolarHBondContact O-N 3.46Å; A218-R221 PolarHBondContact O-N 2.89Å; Q219-R221 PolarHBondContact O-N 3.11Å
222	F	96	Very high	96	Very high	10 Å²	10	39.6 Å²	39.6	4%	0.044	19%	0.194	C	C	.	.			trans	-59	153	175.9	-79.6	-71.3	0	0	0	111.4	N47 A218 Q219 Q226 Y233 M234 R235 V241 F243	N47-F222 PolarHBondContact ND2-O 3.11Å; N47-F222 PolarHBondContact OD1-O 3.2Å; A218-F222 WeakPolarHBondContact O-CD2 3.5Å; A218-F222 WeakPolarHBondContact O-CE2 3.26Å; Q219-F222 PolarHBondContact O-N 2.71Å; F222-Q226 HydrophobicContact CD1-CB 3.75Å; F222-Q226 HydrophobicContact CD1-CG 4.37Å; F222-Q226 HydrophobicContact CE1-CB 4.46Å; F222-Y233 HydrophobicContact CB-CD1 3.85Å; F222-Y233 HydrophobicContact CB-CE1 4.21Å; F222-Y233 HydrophobicContact CB-CG 4.46Å; F222-Y233 HydrophobicContact CD1-CD1 4.28Å; F222-Y233 HydrophobicContact CD1-CG 4.29Å; F222-Y233 AromaticContact CD2-CD1 3.84Å; F222-Y233 HydrophobicContact CD2-CD1 3.84Å; F222-Y233 AromaticContact CD2-CD2 3.99Å; F222-Y233 HydrophobicContact CD2-CD2 3.99Å; F222-Y233 HydrophobicContact CD2-CE1 4.45Å; F222-Y233 AromaticContact CD2-CG 3.58Å; F222-Y233 HydrophobicContact CD2-CG 3.58Å; F222-Y233 HydrophobicContact CE1-CG 4.49Å; F222-Y233 HydrophobicContact CE2-CD2 4.11Å; F222-Y233 AromaticContact CE2-CG 3.84Å; F222-Y233 HydrophobicContact CE2-CG 3.84Å; F222-Y233 AromaticContact CG-CD1 3.72Å; F222-Y233 HydrophobicContact CG-CD1 3.72Å; F222-Y233 HydrophobicContact CG-CE1 4.44Å; F222-Y233 AromaticContact CG-CG 3.85Å; F222-Y233 HydrophobicContact CG-CG 3.85Å; F222-Y233 HydrophobicContact CZ-CG 4.29Å; F222-M234 WeakPolarHBondContact CE1-O 3.37Å; F222-R235 HydrophobicContact CE1-CG 4.35Å; F222-R235 HydrophobicContact CZ-CG 4.14Å; F222-V241 HydrophobicContact CE2-CG1 3.8Å; F222-V241 HydrophobicContact CZ-CG1 3.52Å; F222-F243 HydrophobicContact CD2-CE2 4.33Å; F222-F243 AromaticContact CE2-CE2 3.73Å; F222-F243 HydrophobicContact CE2-CE2 3.73Å; F222-F243 AromaticContact CE2-CZ 3.91Å; F222-F243 HydrophobicContact CE2-CZ 3.91Å
223	K	91.4	Very high	96	Very high	141 Å²	141	38 Å²	38	61%	0.613	19%	0.188	S	C	*	.			trans	-113.2	166.2	177	-56.6	-60	175.5	-172.5	0	110	Q226	K223-Q226 WeakPolarHBondContact O-CB 3.49Å; K223-Q226 PolarHBondContact O-N 2.95Å
224	N	88.2	Confident	95.9	Very high	97 Å²	97	40 Å²	40	52%	0.519	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	141.8	173	-65.6	-3.1	0	0	0	110.4	L46 Q226	L46-N224 PolarHBondContact O-OD1 2.68Å; N224-Q226 VanDerWaalsContact C-N 3.33Å
225	G	89.7	Confident	95.8	Very high	34 Å²	34	41.2 Å²	41.2	35%	0.351	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.7	3.7	-175.9	0	0	0	0	0	114.8
226	Q	95.5	Very high	95.7	Very high	41 Å²	41	45.3 Å²	45.3	19%	0.192	24%	0.235	C	C	.	.			trans	-108.7	-7.6	173.4	-60.6	-171.9	-89	0	0	113.4	F222 K223 N224 Y233 M234	F222-Q226 HydrophobicContact CD1-CB 3.75Å; F222-Q226 HydrophobicContact CD1-CG 4.37Å; F222-Q226 HydrophobicContact CE1-CB 4.46Å; K223-Q226 WeakPolarHBondContact O-CB 3.49Å; K223-Q226 PolarHBondContact O-N 2.95Å; N224-Q226 VanDerWaalsContact C-N 3.33Å; Q226-Y233 CarbonylContact O-C 3.5Å; Q226-Y233 WeakPolarHBondContact O-CA 3.21Å; Q226-M234 WeakPolarHBondContact CB-O 3.44Å; Q226-M234 PolarHBondContact NE2-O 3.33Å; Q226-M234 PolarHBondContact O-N 2.99Å
227	C	97.6	Very high	95.5	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	123.1	177.2	-162.3	0	0	0	0	109.8	N47 K51 L52 K229 Y233	N47-C227 WeakPolarHBondContact O-CB 3.48Å; K51-C227 CarbonylContact C-O 3.58Å; K51-C227 WeakPolarHBondContact CA-O 3.45Å; K51-C227 HydrophobicContact CG-CB 4.47Å; L52-C227 PolarHBondContact N-O 3.31Å; C227-K229 PolarHBondContact SG-O 3.07Å; C227-Y233 HydrophobicContact CB-CD1 4.04Å; C227-Y233 HydrophobicContact CB-CE1 4.02Å
228	L	97.4	Very high	95.5	Very high	3 Å²	3	46.9 Å²	46.9	2%	0.016	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	-59.6	173.8	-60.7	166.7	0	0	0	108.9	L52 Q57 I60 F232 M234 R240	L52-L228 HydrophobicContact CB-CD2 4.45Å; L52-L228 HydrophobicContact CD1-CD2 3.59Å; Q57-L228 HydrophobicContact CG-CB 4.49Å; Q57-L228 HydrophobicContact CG-CD2 3.94Å; Q57-L228 PolarHBondContact NE2-O 3.49Å; Q57-L228 PolarHBondContact OE1-O 3.02Å; I60-L228 HydrophobicContact CD1-CD2 3.71Å; L228-F232 HydrophobicContact CB-CB 4.48Å; L228-F232 HydrophobicContact CB-CD1 3.69Å; L228-F232 HydrophobicContact CB-CE1 4.33Å; L228-F232 HydrophobicContact CB-CG 4.32Å; L228-F232 WeakPolarHBondContact CB-O 3.38Å; L228-F232 HydrophobicContact CD1-CD1 3.63Å; L228-F232 HydrophobicContact CD1-CE1 3.54Å; L228-F232 HydrophobicContact CD1-CG 4.21Å; L228-F232 HydrophobicContact CD1-CZ 4.07Å; L228-F232 HydrophobicContact CG-CD1 4.31Å; L228-F232 PolarHBondContact N-O 3.24Å; L228-M234 HydrophobicContact CD1-CB 4.14Å; L228-M234 HydrophobicContact CD2-CB 4.26Å; L228-M234 HydrophobicContact CG-CB 4.21Å; L228-R240 HydrophobicContact CD1-CB 4.48Å; L228-R240 HydrophobicContact CD1-CG 4.02Å
229	K	97	Very high	95.5	Very high	46 Å²	46	46.2 Å²	46.2	20%	0.2	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	176.3	178.2	-60.3	-171.1	177.1	-177.1	0	109.3	P187 E188 C227 N231 F232	P187-K229 HydrophobicContact CG-CD 4.37Å; E188-K229 IonicContact OE1-NZ 2.66Å; E188-K229 PolarHBondContact OE1-NZ 2.98Å; E188-K229 IonicContact OE2-NZ 2.78Å; E188-K229 PolarHBondContact OE2-NZ 3.14Å; C227-K229 PolarHBondContact SG-O 3.07Å; K229-N231 PolarHBondContact O-N 3.03Å; K229-F232 HydrophobicContact CB-CB 4.02Å; K229-F232 PolarHBondContact N-O 2.91Å; K229-F232 PolarHBondContact O-N 3.28Å; K229-F232 VanDerWaalsContact O-O 3.09Å
230	D	96.2	Very high	95.5	Very high	96 Å²	96	47 Å²	47	51%	0.513	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	121.3	174.7	-69.8	-16.9	0	0	0	108.9	K51 F232 Y242	K51-D230 WeakPolarHBondContact CE-OD1 3.2Å; K51-D230 IonicContact NZ-OD1 2.7Å; K51-D230 PolarHBondContact NZ-OD1 2.97Å; D230-F232 PolarHBondContact O-N 3.21Å; D230-F232 VanDerWaalsContact O-N 3.07Å; D230-Y242 WeakPolarHBondContact O-CE2 3.19Å
231	N	97.8	Very high	95.6	Very high	29 Å²	29	45.7 Å²	45.7	16%	0.155	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	64	9.8	179.2	-51.6	-61.6	0	0	0	116.4	R214 Q219 K229 Y233 Y242 F243	R214-N231 PolarHBondContact NE-OD1 3.47Å; R214-N231 PolarHBondContact NH1-OD1 2.85Å; R214-N231 PolarHBondContact NH2-ND2 3.29Å; Q219-N231 PolarHBondContact NE2-OD1 2.69Å; K229-N231 PolarHBondContact O-N 3.03Å; N231-Y233 VanDerWaalsContact C-CE2 3.42Å; N231-Y242 HydrophobicContact CB-CE2 4.08Å; N231-Y242 WeakPolarHBondContact O-CA 3.25Å; N231-F243 PolarHBondContact O-N 3.19Å; N231-F243 VanDerWaalsContact O-N 3.08Å
232	F	98.3	Very high	95.8	Very high	4 Å²	4	39.2 Å²	39.2	2%	0.018	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	122.2	177.6	-167.8	-139.5	0	0	0	110.2	N186 P187 L228 K229 D230 R240 Y242	N186-F232 HydrophobicContact CB-CE1 4.44Å; P187-F232 HydrophobicContact CG-CB 4.48Å; P187-F232 HydrophobicContact CG-CD1 4.4Å; P187-F232 HydrophobicContact CG-CG 4.44Å; L228-F232 HydrophobicContact CB-CB 4.48Å; L228-F232 HydrophobicContact CB-CD1 3.69Å; L228-F232 HydrophobicContact CB-CE1 4.33Å; L228-F232 HydrophobicContact CB-CG 4.32Å; L228-F232 WeakPolarHBondContact CB-O 3.38Å; L228-F232 HydrophobicContact CD1-CD1 3.63Å; L228-F232 HydrophobicContact CD1-CE1 3.54Å; L228-F232 HydrophobicContact CD1-CG 4.21Å; L228-F232 HydrophobicContact CD1-CZ 4.07Å; L228-F232 HydrophobicContact CG-CD1 4.31Å; L228-F232 PolarHBondContact N-O 3.24Å; K229-F232 HydrophobicContact CB-CB 4.02Å; K229-F232 PolarHBondContact N-O 2.91Å; K229-F232 PolarHBondContact O-N 3.28Å; K229-F232 VanDerWaalsContact O-O 3.09Å; D230-F232 PolarHBondContact O-N 3.21Å; D230-F232 VanDerWaalsContact O-N 3.07Å; F232-R240 HydrophobicContact CE2-CB 3.68Å; F232-R240 HydrophobicContact CZ-CB 3.71Å; F232-R240 HydrophobicContact CZ-CG 4.2Å; F232-Y242 HydrophobicContact CB-CD2 3.77Å; F232-Y242 HydrophobicContact CB-CE2 4.32Å; F232-Y242 HydrophobicContact CD2-CD2 4.05Å; F232-Y242 HydrophobicContact CG-CD2 4.2Å
233	Y	98.1	Very high	95.9	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	151.8	-171	-55	-95.9	0	0	0	112.2	Q219 F222 Q226 C227 N231 R240 V241 F243	Q219-Y233 HydrophobicContact CG-CE2 3.71Å; Q219-Y233 PolarHBondContact NE2-OH 3.4Å; F222-Y233 HydrophobicContact CB-CD1 3.85Å; F222-Y233 HydrophobicContact CB-CE1 4.21Å; F222-Y233 HydrophobicContact CB-CG 4.46Å; F222-Y233 HydrophobicContact CD1-CD1 4.28Å; F222-Y233 HydrophobicContact CD1-CG 4.29Å; F222-Y233 AromaticContact CD2-CD1 3.84Å; F222-Y233 HydrophobicContact CD2-CD1 3.84Å; F222-Y233 AromaticContact CD2-CD2 3.99Å; F222-Y233 HydrophobicContact CD2-CD2 3.99Å; F222-Y233 HydrophobicContact CD2-CE1 4.45Å; F222-Y233 AromaticContact CD2-CG 3.58Å; F222-Y233 HydrophobicContact CD2-CG 3.58Å; F222-Y233 HydrophobicContact CE1-CG 4.49Å; F222-Y233 HydrophobicContact CE2-CD2 4.11Å; F222-Y233 AromaticContact CE2-CG 3.84Å; F222-Y233 HydrophobicContact CE2-CG 3.84Å; F222-Y233 AromaticContact CG-CD1 3.72Å; F222-Y233 HydrophobicContact CG-CD1 3.72Å; F222-Y233 HydrophobicContact CG-CE1 4.44Å; F222-Y233 AromaticContact CG-CG 3.85Å; F222-Y233 HydrophobicContact CG-CG 3.85Å; F222-Y233 HydrophobicContact CZ-CG 4.29Å; Q226-Y233 CarbonylContact O-C 3.5Å; Q226-Y233 WeakPolarHBondContact O-CA 3.21Å; C227-Y233 HydrophobicContact CB-CD1 4.04Å; C227-Y233 HydrophobicContact CB-CE1 4.02Å; N231-Y233 VanDerWaalsContact C-CE2 3.42Å; Y233-R240 CarbonylContact O-C 3.58Å; Y233-R240 WeakPolarHBondContact O-CA 3.45Å; Y233-V241 PolarHBondContact N-O 3.19Å; Y233-V241 PolarHBondContact O-N 3.5Å; Y233-F243 AromaticContact CD2-CD2 3.8Å; Y233-F243 HydrophobicContact CD2-CD2 3.8Å; Y233-F243 AromaticContact CD2-CE2 3.69Å; Y233-F243 HydrophobicContact CD2-CE2 3.69Å; Y233-F243 AromaticContact CE2-CD2 3.88Å; Y233-F243 HydrophobicContact CE2-CD2 3.88Å; Y233-F243 HydrophobicContact CE2-CE2 4.08Å
234	M	97	Very high	96.3	Very high	40 Å²	40	32 Å²	32	20%	0.197	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	127.6	170.8	-173.5	-178.3	62.2	0	0	110.5	L52 I60 F222 Q226 L228	L52-M234 HydrophobicContact CD1-CE 4.09Å; I60-M234 HydrophobicContact CD1-CE 4.13Å; I60-M234 HydrophobicContact CD1-SD 3.39Å; I60-M234 WeakPolarHBondContact CD1-SD 3.42Å; I60-M234 HydrophobicContact CG1-SD 3.82Å; I60-M234 HydrophobicContact CG2-SD 4.37Å; F222-M234 WeakPolarHBondContact CE1-O 3.37Å; Q226-M234 WeakPolarHBondContact CB-O 3.44Å; Q226-M234 PolarHBondContact NE2-O 3.33Å; Q226-M234 PolarHBondContact O-N 2.99Å; L228-M234 HydrophobicContact CD1-CB 4.14Å; L228-M234 HydrophobicContact CD2-CB 4.26Å; L228-M234 HydrophobicContact CG-CB 4.21Å
235	R	95.8	Very high	96.7	Very high	60 Å²	60	29.5 Å²	29.5	23%	0.226	17%	0.168	C	C	.	.			trans	-75.9	165	173.1	-61.7	-174.9	-173	-89.9	0.4	110.7	Y212 F222 D237 G238 T239 V241	Y212-R235 PolarHBondContact OH-NH2 3.42Å; F222-R235 HydrophobicContact CE1-CG 4.35Å; F222-R235 HydrophobicContact CZ-CG 4.14Å; R235-D237 VanDerWaalsContact CB-OD1 3.32Å; R235-D237 WeakPolarHBondContact CB-OD1 3.49Å; R235-D237 PolarHBondContact O-N 2.97Å; R235-G238 PolarHBondContact O-N 3.15Å; R235-T239 WeakPolarHBondContact CB-O 3.49Å; R235-T239 WeakPolarHBondContact CD-OG1 3.38Å; R235-T239 PolarHBondContact N-O 3.48Å; R235-V241 HydrophobicContact CG-CG1 4.33Å
236	S	94	Very high	97.2	Very high	126 Å²	126	31 Å²	31	88%	0.881	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-20.7	179.4	53.3	0	0	0	0	114.1	G238	S236-G238 VanDerWaalsContact C-N 3.32Å
237	D	94.5	Very high	97.3	Very high	53 Å²	53	34.5 Å²	34.5	28%	0.283	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-0.4	174.6	56.1	24.8	0	0	0	113.3	R235 T239	R235-D237 VanDerWaalsContact CB-OD1 3.32Å; R235-D237 WeakPolarHBondContact CB-OD1 3.49Å; R235-D237 PolarHBondContact O-N 2.97Å; D237-T239 VanDerWaalsContact C-N 3.33Å; D237-T239 WeakPolarHBondContact OD1-CB 3.4Å; D237-T239 PolarHBondContact OD1-N 2.98Å; D237-T239 PolarHBondContact OD1-OG1 3.4Å
238	G	95	Very high	97.3	Very high	6 Å²	6	37.1 Å²	37.1	6%	0.062	20%	0.198	C	C	.	.	S	Bend	trans	89.7	-14.5	-178.8	0	0	0	0	0	114.5	Y67 R235 S236	Y67-G238 WeakPolarHBondContact CD2-O 3.3Å; R235-G238 PolarHBondContact O-N 3.15Å; S236-G238 VanDerWaalsContact C-N 3.32Å
239	T	96.8	Very high	97.4	Very high	6 Å²	6	37 Å²	37	4%	0.037	20%	0.197	C	C	.	.			trans	-68.3	161.4	174.5	67.3	0	0	0	0	111	W68 F71 R235 D237	W68-T239 HydrophobicContact CD2-CG2 3.87Å; W68-T239 HydrophobicContact CE3-CG2 3.87Å; W68-T239 HydrophobicContact CG-CG2 4.48Å; W68-T239 HydrophobicContact CH2-CG2 4.15Å; W68-T239 HydrophobicContact CZ2-CG2 4.14Å; W68-T239 HydrophobicContact CZ3-CG2 4.02Å; F71-T239 HydrophobicContact CB-CG2 4.42Å; R235-T239 WeakPolarHBondContact CB-O 3.49Å; R235-T239 WeakPolarHBondContact CD-OG1 3.38Å; R235-T239 PolarHBondContact N-O 3.48Å; D237-T239 VanDerWaalsContact C-N 3.33Å; D237-T239 WeakPolarHBondContact OD1-CB 3.4Å; D237-T239 PolarHBondContact OD1-N 2.98Å; D237-T239 PolarHBondContact OD1-OG1 3.4Å
240	R	97.7	Very high	97.5	Very high	18 Å²	18	37.7 Å²	37.7	7%	0.068	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	158.1	-170.5	-54.5	179.5	-64.1	-174.2	-2.8	111.9	I60 E61 A184 L228 F232 Y233	I60-R240 HydrophobicContact CG2-CG 4.27Å; E61-R240 IonicContact OE1-CZ 3.12Å; E61-R240 IonicContact OE1-NH1 2.78Å; E61-R240 PolarHBondContact OE1-NH1 3.32Å; E61-R240 IonicContact OE1-NH2 3.68Å; E61-R240 PolarHBondContact OE1-NH2 2.88Å; E61-R240 IonicContact OE2-CZ 3.02Å; E61-R240 IonicContact OE2-NH1 3.34Å; E61-R240 PolarHBondContact OE2-NH1 2.9Å; E61-R240 IonicContact OE2-NH2 3.66Å; A184-R240 PolarHBondContact O-NE 3.37Å; A184-R240 PolarHBondContact O-NH2 3.38Å; L228-R240 HydrophobicContact CD1-CB 4.48Å; L228-R240 HydrophobicContact CD1-CG 4.02Å; F232-R240 HydrophobicContact CE2-CB 3.68Å; F232-R240 HydrophobicContact CZ-CB 3.71Å; F232-R240 HydrophobicContact CZ-CG 4.2Å; Y233-R240 CarbonylContact O-C 3.58Å; Y233-R240 WeakPolarHBondContact O-CA 3.45Å
241	V	98.5	Very high	97.6	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.006	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	125.4	176.6	58.1	0	0	0	0	111.7	S183 Y212 F222 Y233 R235 F243	S183-V241 CarbonylContact O-C 3.57Å; S183-V241 WeakPolarHBondContact O-CA 3.3Å; Y212-V241 HydrophobicContact CD2-CG2 3.42Å; Y212-V241 VanDerWaalsContact CD2-CG2 3.42Å; Y212-V241 HydrophobicContact CE2-CG2 3.77Å; Y212-V241 HydrophobicContact CG-CG2 3.98Å; F222-V241 HydrophobicContact CE2-CG1 3.8Å; F222-V241 HydrophobicContact CZ-CG1 3.52Å; Y233-V241 PolarHBondContact N-O 3.19Å; Y233-V241 PolarHBondContact O-N 3.5Å; R235-V241 HydrophobicContact CG-CG1 4.33Å; V241-F243 HydrophobicContact CB-CE2 4.43Å; V241-F243 HydrophobicContact CG1-CE2 3.78Å; V241-F243 HydrophobicContact CG1-CZ 3.98Å; V241-F243 HydrophobicContact CG2-CD2 4.45Å; V241-F243 HydrophobicContact CG2-CE1 4.27Å; V241-F243 HydrophobicContact CG2-CE2 3.92Å; V241-F243 HydrophobicContact CG2-CZ 3.8Å
242	Y	98.8	Very high	97.6	Very high	12 Å²	12	39.5 Å²	39.5	5%	0.047	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	147.1	165.6	-163.9	-94.9	0	0	0	110.3	S183 P187 F190 D230 N231 F232 F244 E248	S183-Y242 VanDerWaalsContact CB-O 3.25Å; S183-Y242 WeakPolarHBondContact CB-O 3.44Å; S183-Y242 PolarHBondContact O-N 2.85Å; P187-Y242 HydrophobicContact CB-CD2 4.04Å; P187-Y242 HydrophobicContact CB-CE2 3.83Å; P187-Y242 HydrophobicContact CG-CD2 4.06Å; P187-Y242 HydrophobicContact CG-CE2 3.98Å; F190-Y242 AromaticContact CE2-CD1 3.98Å; F190-Y242 HydrophobicContact CE2-CD1 3.98Å; F190-Y242 HydrophobicContact CE2-CD2 4.41Å; F190-Y242 HydrophobicContact CE2-CE1 4.15Å; F190-Y242 HydrophobicContact CE2-CG 4.13Å; F190-Y242 HydrophobicContact CZ-CD1 4.1Å; F190-Y242 HydrophobicContact CZ-CD2 4.27Å; F190-Y242 AromaticContact CZ-CG 3.87Å; F190-Y242 HydrophobicContact CZ-CG 3.87Å; D230-Y242 WeakPolarHBondContact O-CE2 3.19Å; N231-Y242 HydrophobicContact CB-CE2 4.08Å; N231-Y242 WeakPolarHBondContact O-CA 3.25Å; F232-Y242 HydrophobicContact CB-CD2 3.77Å; F232-Y242 HydrophobicContact CB-CE2 4.32Å; F232-Y242 HydrophobicContact CD2-CD2 4.05Å; F232-Y242 HydrophobicContact CG-CD2 4.2Å; Y242-F244 AromaticContact CD1-CD1 3.52Å; Y242-F244 HydrophobicContact CD1-CD1 3.52Å; Y242-F244 HydrophobicContact CD1-CD2 4.09Å; Y242-F244 AromaticContact CD1-CE1 3.48Å; Y242-F244 HydrophobicContact CD1-CE1 3.48Å; Y242-F244 VanDerWaalsContact CD1-CE1 3.48Å; Y242-F244 HydrophobicContact CD1-CE2 4.05Å; Y242-F244 AromaticContact CD1-CG 3.83Å; Y242-F244 HydrophobicContact CD1-CG 3.83Å; Y242-F244 AromaticContact CD1-CZ 3.74Å; Y242-F244 HydrophobicContact CD1-CZ 3.74Å; Y242-F244 AromaticContact CE1-CD1 3.73Å; Y242-F244 HydrophobicContact CE1-CD1 3.73Å; Y242-F244 AromaticContact CE1-CE1 3.98Å; Y242-F244 HydrophobicContact CE1-CE1 3.98Å; Y242-F244 HydrophobicContact CE1-CG 4.23Å; Y242-F244 HydrophobicContact CG-CE1 4.38Å; Y242-F244 HydrophobicContact CG-CZ 4.34Å; Y242-E248 PolarHBondContact OH-OE1 3.07Å
243	F	98.7	Very high	97.7	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.206	C	C	.	.			trans	-116.1	121.5	174.4	-64.5	-90.2	0	0	0	109.1	Y212 G213 R214 D216 A218 Q219 F222 N231 Y233 V241	Y212-F243 HydrophobicContact CD1-CE1 4.16Å; Y212-F243 HydrophobicContact CG-CD1 4.38Å; Y212-F243 HydrophobicContact CG-CE1 4.09Å; G213-F243 WeakPolarHBondContact O-CD1 3.31Å; R214-F243 VanDerWaalsContact NH1-CB 3.27Å; R214-F243 PolarHBondContact NH1-O 3.05Å; R214-F243 PolarHBondContact NH2-O 3.38Å; D216-F243 HydrophobicContact CB-CD1 4.04Å; D216-F243 HydrophobicContact CB-CE1 3.91Å; A218-F243 HydrophobicContact CB-CE1 4.06Å; A218-F243 HydrophobicContact CB-CZ 3.91Å; Q219-F243 VanDerWaalsContact CA-CZ 3.47Å; Q219-F243 HydrophobicContact CB-CD1 3.72Å; Q219-F243 HydrophobicContact CB-CD2 3.77Å; Q219-F243 HydrophobicContact CB-CE1 3.65Å; Q219-F243 HydrophobicContact CB-CE2 3.68Å; Q219-F243 HydrophobicContact CB-CG 3.79Å; Q219-F243 HydrophobicContact CB-CZ 3.63Å; Q219-F243 HydrophobicContact CG-CB 4.46Å; Q219-F243 HydrophobicContact CG-CD1 4.33Å; Q219-F243 HydrophobicContact CG-CD2 3.6Å; Q219-F243 HydrophobicContact CG-CE2 3.83Å; Q219-F243 HydrophobicContact CG-CG 3.87Å; Q219-F243 HydrophobicContact CG-CZ 4.31Å; Q219-F243 VanDerWaalsContact N-CZ 3.25Å; F222-F243 HydrophobicContact CD2-CE2 4.33Å; F222-F243 AromaticContact CE2-CE2 3.73Å; F222-F243 HydrophobicContact CE2-CE2 3.73Å; F222-F243 AromaticContact CE2-CZ 3.91Å; F222-F243 HydrophobicContact CE2-CZ 3.91Å; N231-F243 PolarHBondContact O-N 3.19Å; N231-F243 VanDerWaalsContact O-N 3.08Å; Y233-F243 AromaticContact CD2-CD2 3.8Å; Y233-F243 HydrophobicContact CD2-CD2 3.8Å; Y233-F243 AromaticContact CD2-CE2 3.69Å; Y233-F243 HydrophobicContact CD2-CE2 3.69Å; Y233-F243 AromaticContact CE2-CD2 3.88Å; Y233-F243 HydrophobicContact CE2-CD2 3.88Å; Y233-F243 HydrophobicContact CE2-CE2 4.08Å; V241-F243 HydrophobicContact CB-CE2 4.43Å; V241-F243 HydrophobicContact CG1-CE2 3.78Å; V241-F243 HydrophobicContact CG1-CZ 3.98Å; V241-F243 HydrophobicContact CG2-CD2 4.45Å; V241-F243 HydrophobicContact CG2-CE1 4.27Å; V241-F243 HydrophobicContact CG2-CE2 3.92Å; V241-F243 HydrophobicContact CG2-CZ 3.8Å
244	F	98.8	Very high	97.7	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.224	C	C	.	.	B	Isolated β-bridge	trans	-94.9	155.3	-170.3	-62.7	-85.4	0	0	0	113	L182 F190 F209 D211 Y212 G213 R214 Y242 L249 I284	L182-F244 HydrophobicContact CB-CZ 4.11Å; L182-F244 HydrophobicContact CD2-CE1 4.1Å; L182-F244 HydrophobicContact CD2-CZ 4Å; L182-F244 HydrophobicContact CG-CE1 4.4Å; L182-F244 HydrophobicContact CG-CZ 3.92Å; F190-F244 HydrophobicContact CD2-CE1 4.19Å; F190-F244 HydrophobicContact CE1-CZ 4.48Å; F190-F244 HydrophobicContact CE2-CD1 4.43Å; F190-F244 AromaticContact CE2-CE1 3.44Å; F190-F244 HydrophobicContact CE2-CE1 3.44Å; F190-F244 VanDerWaalsContact CE2-CE1 3.44Å; F190-F244 AromaticContact CE2-CZ 4Å; F190-F244 HydrophobicContact CE2-CZ 4Å; F190-F244 AromaticContact CZ-CE1 3.71Å; F190-F244 HydrophobicContact CZ-CE1 3.71Å; F190-F244 AromaticContact CZ-CZ 3.75Å; F190-F244 HydrophobicContact CZ-CZ 3.75Å; F209-F244 HydrophobicContact CZ-CD2 4.13Å; F209-F244 HydrophobicContact CZ-CE2 4.08Å; F209-F244 HydrophobicContact CZ-CZ 4.46Å; D211-F244 HydrophobicContact CB-CD2 4.02Å; D211-F244 HydrophobicContact CB-CE2 3.9Å; Y212-F244 WeakPolarHBondContact O-CD2 3.49Å; Y212-F244 PolarHBondContact O-N 3.37Å; G213-F244 CarbonylContact C-O 3.55Å; G213-F244 WeakPolarHBondContact CA-O 3.27Å; R214-F244 PolarHBondContact N-O 2.95Å; Y242-F244 AromaticContact CD1-CD1 3.52Å; Y242-F244 HydrophobicContact CD1-CD1 3.52Å; Y242-F244 HydrophobicContact CD1-CD2 4.09Å; Y242-F244 AromaticContact CD1-CE1 3.48Å; Y242-F244 HydrophobicContact CD1-CE1 3.48Å; Y242-F244 VanDerWaalsContact CD1-CE1 3.48Å; Y242-F244 HydrophobicContact CD1-CE2 4.05Å; Y242-F244 AromaticContact CD1-CG 3.83Å; Y242-F244 HydrophobicContact CD1-CG 3.83Å; Y242-F244 AromaticContact CD1-CZ 3.74Å; Y242-F244 HydrophobicContact CD1-CZ 3.74Å; Y242-F244 AromaticContact CE1-CD1 3.73Å; Y242-F244 HydrophobicContact CE1-CD1 3.73Å; Y242-F244 AromaticContact CE1-CE1 3.98Å; Y242-F244 HydrophobicContact CE1-CE1 3.98Å; Y242-F244 HydrophobicContact CE1-CG 4.23Å; Y242-F244 HydrophobicContact CG-CE1 4.38Å; Y242-F244 HydrophobicContact CG-CZ 4.34Å; F244-L249 HydrophobicContact CB-CD1 3.67Å; F244-L249 HydrophobicContact CB-CD2 4.39Å; F244-L249 HydrophobicContact CB-CG 3.92Å; F244-L249 HydrophobicContact CD1-CD1 4.49Å; F244-L249 HydrophobicContact CD1-CD2 3.67Å; F244-L249 HydrophobicContact CD1-CG 4Å; F244-L249 HydrophobicContact CE1-CD2 4.09Å; F244-L249 HydrophobicContact CG-CD1 4.12Å; F244-L249 HydrophobicContact CG-CD2 4.04Å; F244-L249 HydrophobicContact CG-CG 4.12Å; F244-I284 HydrophobicContact CB-CD1 4.02Å; F244-I284 WeakPolarHBondContact O-CD1 3.29Å
245	T	98.4	Very high	97.8	Very high	44 Å²	44	43.3 Å²	43.3	27%	0.27	24%	0.239	S	C	.	.			trans	-100.5	165.4	158.3	70.4	0	0	0	0	111	R214 D247 E248 L249 I284	R214-T245 HydrophobicContact CB-CG2 4.11Å; R214-T245 HydrophobicContact CG-CG2 4.42Å; T245-D247 VanDerWaalsContact C-N 3.32Å; T245-E248 PolarHBondContact N-OE2 2.9Å; T245-E248 WeakPolarHBondContact OG1-CB 3.25Å; T245-E248 PolarHBondContact OG1-N 3.39Å; T245-E248 VanDerWaalsContact OG1-N 3.16Å; T245-L249 WeakPolarHBondContact O-CG 3.38Å; T245-L249 PolarHBondContact O-N 3.31Å; T245-I284 WeakPolarHBondContact O-CD1 3.16Å
246	Q	98.4	Very high	97.9	Very high	65 Å²	65	41.3 Å²	41.3	30%	0.304	23%	0.233	S	C	.	.	H	α-helix	trans	-66.4	-38.1	176.1	-64.7	-164.6	-89.8	0	0	111.8	L249 H250 N263 V265 I284	Q246-L249 PolarHBondContact O-N 2.63Å; Q246-H250 WeakPolarHBondContact O-CB 3.29Å; Q246-H250 PolarHBondContact O-N 3.46Å; Q246-N263 WeakPolarHBondContact CB-OD1 3.2Å; Q246-N263 WeakPolarHBondContact CG-OD1 3.23Å; Q246-N263 PolarHBondContact NE2-O 3.01Å; Q246-N263 PolarHBondContact NE2-OD1 2.77Å; Q246-N263 PolarHBondContact O-ND2 3.42Å; Q246-V265 HydrophobicContact CG-CG2 3.43Å; Q246-V265 VanDerWaalsContact CG-CG2 3.43Å; Q246-V265 VanDerWaalsContact OE1-CG2 3.28Å; Q246-I284 HydrophobicContact CG-CD1 4.17Å; Q246-I284 HydrophobicContact CG-CG2 4.45Å
247	D	98.7	Very high	98.1	Very high	116 Å²	116	37.4 Å²	37.4	62%	0.62	21%	0.212	S	C	*	.	H	α-helix	trans	-68.4	-45.2	-177.6	-59.7	-30.7	0	0	0	110.7	T245 L249 H250 E251	T245-D247 VanDerWaalsContact C-N 3.32Å; D247-L249 VanDerWaalsContact C-N 3.32Å; D247-L249 PolarHBondContact O-N 2.98Å; D247-H250 WeakPolarHBondContact O-CB 3.46Å; D247-H250 PolarHBondContact O-N 2.94Å; D247-H250 VanDerWaalsContact O-N 3.1Å; D247-E251 WeakPolarHBondContact O-CG 3.3Å; D247-E251 PolarHBondContact O-N 2.72Å
248	E	98.3	Very high	98.3	Very high	55 Å²	55	35.1 Å²	35.1	26%	0.257	20%	0.2	S	C	.	.	H	α-helix	trans	-54.2	-48	172.8	-93.5	-177	136.4	0	0	111.9	R214 Y242 T245 H250 E251 L252	R214-E248 IonicContact NH2-OE2 2.91Å; Y242-E248 PolarHBondContact OH-OE1 3.07Å; T245-E248 PolarHBondContact N-OE2 2.9Å; T245-E248 WeakPolarHBondContact OG1-CB 3.25Å; T245-E248 PolarHBondContact OG1-N 3.39Å; T245-E248 VanDerWaalsContact OG1-N 3.16Å; E248-H250 VanDerWaalsContact C-N 3.31Å; E248-H250 PolarHBondContact O-N 2.83Å; E248-E251 PolarHBondContact O-N 2.66Å; E248-L252 WeakPolarHBondContact O-CB 3.43Å; E248-L252 VanDerWaalsContact O-CG 3.25Å; E248-L252 WeakPolarHBondContact O-CG 3.39Å; E248-L252 PolarHBondContact O-N 3.49Å
249	L	98.8	Very high	98.5	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-67.2	-36	-179.7	-73.2	167.7	0	0	0	111.6	F209 F244 T245 Q246 D247 F253 I284	F209-L249 HydrophobicContact CD1-CD1 4.25Å; F209-L249 HydrophobicContact CD1-CD2 4.48Å; F209-L249 HydrophobicContact CE1-CD1 3.48Å; F209-L249 VanDerWaalsContact CE1-CD1 3.48Å; F209-L249 HydrophobicContact CE1-CD2 3.77Å; F209-L249 HydrophobicContact CE1-CG 4.3Å; F209-L249 HydrophobicContact CE2-CD2 4.07Å; F209-L249 HydrophobicContact CZ-CD1 3.98Å; F209-L249 HydrophobicContact CZ-CD2 3.51Å; F209-L249 HydrophobicContact CZ-CG 4.42Å; F244-L249 HydrophobicContact CB-CD1 3.67Å; F244-L249 HydrophobicContact CB-CD2 4.39Å; F244-L249 HydrophobicContact CB-CG 3.92Å; F244-L249 HydrophobicContact CD1-CD1 4.49Å; F244-L249 HydrophobicContact CD1-CD2 3.67Å; F244-L249 HydrophobicContact CD1-CG 4Å; F244-L249 HydrophobicContact CE1-CD2 4.09Å; F244-L249 HydrophobicContact CG-CD1 4.12Å; F244-L249 HydrophobicContact CG-CD2 4.04Å; F244-L249 HydrophobicContact CG-CG 4.12Å; T245-L249 WeakPolarHBondContact O-CG 3.38Å; T245-L249 PolarHBondContact O-N 3.31Å; Q246-L249 PolarHBondContact O-N 2.63Å; D247-L249 VanDerWaalsContact C-N 3.32Å; D247-L249 PolarHBondContact O-N 2.98Å; L249-F253 HydrophobicContact CB-CD2 4.29Å; L249-F253 HydrophobicContact CB-CE2 3.92Å; L249-F253 HydrophobicContact CD2-CE2 3.87Å; L249-F253 HydrophobicContact CD2-CZ 3.74Å; L249-F253 HydrophobicContact CG-CE2 4.42Å; L249-F253 WeakPolarHBondContact O-CB 3.18Å; L249-F253 WeakPolarHBondContact O-CD2 3.45Å; L249-F253 VanDerWaalsContact O-CG 3.25Å; L249-F253 WeakPolarHBondContact O-CG 3.46Å; L249-F253 PolarHBondContact O-N 2.78Å; L249-I284 HydrophobicContact CD1-CB 3.82Å; L249-I284 HydrophobicContact CD1-CD1 3.86Å; L249-I284 HydrophobicContact CD1-CG1 4.43Å; L249-I284 HydrophobicContact CD1-CG2 3.53Å
250	H	98.8	Very high	98.5	Very high	60 Å²	60	44.8 Å²	44.8	28%	0.278	24%	0.242	S	C	.	.	H	α-helix	trans	-63.3	-46.9	176	-172.5	43.7	0	0	0	111.6	Q246 D247 E248 T254 Y288	Q246-H250 WeakPolarHBondContact O-CB 3.29Å; Q246-H250 PolarHBondContact O-N 3.46Å; D247-H250 WeakPolarHBondContact O-CB 3.46Å; D247-H250 PolarHBondContact O-N 2.94Å; D247-H250 VanDerWaalsContact O-N 3.1Å; E248-H250 VanDerWaalsContact C-N 3.31Å; E248-H250 PolarHBondContact O-N 2.83Å; H250-T254 WeakPolarHBondContact O-CB 3.45Å; H250-T254 VanDerWaalsContact O-CG2 3.31Å; H250-T254 WeakPolarHBondContact O-CG2 3.39Å; H250-T254 PolarHBondContact O-N 2.73Å; H250-T254 PolarHBondContact O-OG1 3.06Å; H250-Y288 WeakPolarHBondContact CA-OH 3.41Å; H250-Y288 AromaticContact ND1-CE1 3.83Å; H250-Y288 AromaticContact ND1-CZ 3.93Å; H250-Y288 PolarHBondContact ND1-OH 3.13Å; H250-Y288 VanDerWaalsContact ND1-OH 3.13Å
251	E	98.7	Very high	98.6	Very high	133 Å²	133	48.3 Å²	48.3	62%	0.621	26%	0.261	S	S	*	.	H	α-helix	trans	-62.1	-47.7	176.3	-70.3	175.5	-172.4	0	0	111.5	D247 E248 F253 T254 A255	D247-E251 WeakPolarHBondContact O-CG 3.3Å; D247-E251 PolarHBondContact O-N 2.72Å; E248-E251 PolarHBondContact O-N 2.66Å; E251-F253 PolarHBondContact O-N 2.7Å; E251-T254 PolarHBondContact O-OG1 3.36Å; E251-A255 WeakPolarHBondContact O-CB 3.5Å; E251-A255 PolarHBondContact O-N 3.33Å
252	L	98.7	Very high	98.6	Very high	31 Å²	31	51.6 Å²	51.6	16%	0.162	28%	0.276	C	S	.	.	H	α-helix	trans	-58.8	-46.2	179.3	-76.7	170	0	0	0	112.6	F190 L194 E248	F190-L252 HydrophobicContact CB-CD1 4.35Å; F190-L252 HydrophobicContact CB-CD2 3.94Å; F190-L252 HydrophobicContact CD2-CD1 3.86Å; F190-L252 HydrophobicContact CG-CD1 4.5Å; L194-L252 HydrophobicContact CD1-CB 4.02Å; E248-L252 WeakPolarHBondContact O-CB 3.43Å; E248-L252 VanDerWaalsContact O-CG 3.25Å; E248-L252 WeakPolarHBondContact O-CG 3.39Å; E248-L252 PolarHBondContact O-N 3.49Å
253	F	98.8	Very high	98.5	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-75.4	-37.7	-176.4	-62.8	-37.1	0	0	0	112.9	L194 L207 F209 L249 E251 V256 L258 C286 Y288	L194-F253 HydrophobicContact CD1-CD1 4.03Å; L194-F253 HydrophobicContact CD1-CE1 3.89Å; L194-F253 HydrophobicContact CD2-CD1 4.36Å; L194-F253 HydrophobicContact CD2-CE1 3.87Å; L207-F253 HydrophobicContact CD2-CD1 3.56Å; L207-F253 HydrophobicContact CD2-CD2 4.23Å; L207-F253 HydrophobicContact CD2-CE1 3.43Å; L207-F253 VanDerWaalsContact CD2-CE1 3.43Å; L207-F253 HydrophobicContact CD2-CE2 4.09Å; L207-F253 HydrophobicContact CD2-CG 3.99Å; L207-F253 HydrophobicContact CD2-CZ 3.71Å; F209-F253 HydrophobicContact CB-CE2 4.41Å; F209-F253 HydrophobicContact CB-CZ 4.1Å; F209-F253 HydrophobicContact CD1-CE2 4.46Å; F209-F253 HydrophobicContact CD1-CZ 4.33Å; F209-F253 AromaticContact CD2-CZ 3.72Å; F209-F253 HydrophobicContact CD2-CZ 3.72Å; F209-F253 HydrophobicContact CE2-CZ 4.17Å; F209-F253 HydrophobicContact CG-CE2 4.25Å; F209-F253 AromaticContact CG-CZ 3.79Å; F209-F253 HydrophobicContact CG-CZ 3.79Å; L249-F253 HydrophobicContact CB-CD2 4.29Å; L249-F253 HydrophobicContact CB-CE2 3.92Å; L249-F253 HydrophobicContact CD2-CE2 3.87Å; L249-F253 HydrophobicContact CD2-CZ 3.74Å; L249-F253 HydrophobicContact CG-CE2 4.42Å; L249-F253 WeakPolarHBondContact O-CB 3.18Å; L249-F253 WeakPolarHBondContact O-CD2 3.45Å; L249-F253 VanDerWaalsContact O-CG 3.25Å; L249-F253 WeakPolarHBondContact O-CG 3.46Å; L249-F253 PolarHBondContact O-N 2.78Å; E251-F253 PolarHBondContact O-N 2.7Å; F253-V256 VanDerWaalsContact O-CG2 3.23Å; F253-V256 WeakPolarHBondContact O-CG2 3.5Å; F253-V256 PolarHBondContact O-N 3.32Å; F253-L258 HydrophobicContact CB-CD1 4.32Å; F253-L258 WeakPolarHBondContact O-CB 3.41Å; F253-L258 PolarHBondContact O-N 2.67Å; F253-L258 VanDerWaalsContact O-N 3.16Å; F253-C286 HydrophobicContact CE2-CB 3.89Å; F253-Y288 HydrophobicContact CB-CD1 3.61Å; F253-Y288 HydrophobicContact CB-CD2 4.31Å; F253-Y288 HydrophobicContact CB-CE1 3.71Å; F253-Y288 HydrophobicContact CB-CE2 4.44Å; F253-Y288 HydrophobicContact CB-CG 3.95Å; F253-Y288 HydrophobicContact CD2-CD1 4.35Å; F253-Y288 AromaticContact CD2-CD2 3.56Å; F253-Y288 HydrophobicContact CD2-CD2 3.56Å; F253-Y288 HydrophobicContact CD2-CE1 4.21Å; F253-Y288 AromaticContact CD2-CE2 3.43Å; F253-Y288 HydrophobicContact CD2-CE2 3.43Å; F253-Y288 VanDerWaalsContact CD2-CE2 3.43Å; F253-Y288 HydrophobicContact CD2-CG 4.06Å; F253-Y288 AromaticContact CD2-CZ 3.77Å; F253-Y288 HydrophobicContact CE2-CD2 4.21Å; F253-Y288 HydrophobicContact CE2-CE2 4.11Å; F253-Y288 HydrophobicContact CG-CD1 4.37Å; F253-Y288 HydrophobicContact CG-CD2 4.21Å; F253-Y288 HydrophobicContact CG-CE1 4.46Å; F253-Y288 HydrophobicContact CG-CE2 4.34Å; F253-Y288 HydrophobicContact CG-CG 4.27Å
254	T	98.6	Very high	98.4	Very high	61 Å²	61	57.8 Å²	57.8	37%	0.374	31%	0.305	S	S	.	.	H	α-helix	trans	-69.7	-35	175.3	54	0	0	0	0	112.1	H250 E251 V256 G257 L258 Y288	H250-T254 WeakPolarHBondContact O-CB 3.45Å; H250-T254 VanDerWaalsContact O-CG2 3.31Å; H250-T254 WeakPolarHBondContact O-CG2 3.39Å; H250-T254 PolarHBondContact O-N 2.73Å; H250-T254 PolarHBondContact O-OG1 3.06Å; E251-T254 PolarHBondContact O-OG1 3.36Å; T254-V256 PolarHBondContact O-N 3.36Å; T254-V256 VanDerWaalsContact O-N 3.15Å; T254-G257 PolarHBondContact O-N 2.74Å; T254-L258 WeakPolarHBondContact CA-O 3.35Å; T254-Y288 HydrophobicContact CG2-CE1 4.45Å
255	A	98.5	Very high	98.3	Very high	62 Å²	62	59.1 Å²	59.1	51%	0.512	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-18.8	175.4	0	0	0	0	0	114.1	E251	E251-A255 WeakPolarHBondContact O-CB 3.5Å; E251-A255 PolarHBondContact O-N 3.33Å
256	V	98.4	Very high	98.2	Very high	19 Å²	19	57.8 Å²	57.8	12%	0.115	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.4	16.5	175.5	-57.2	0	0	0	0	113	L194 K195 V198 F253 T254 L258	L194-V256 HydrophobicContact CB-CG1 4.08Å; L194-V256 HydrophobicContact CB-CG2 4.33Å; K195-V256 HydrophobicContact CB-CG1 3.93Å; V198-V256 HydrophobicContact CG1-CG2 3.93Å; V198-V256 HydrophobicContact CG2-CB 4.18Å; V198-V256 HydrophobicContact CG2-CG2 4.37Å; F253-V256 VanDerWaalsContact O-CG2 3.23Å; F253-V256 WeakPolarHBondContact O-CG2 3.5Å; F253-V256 PolarHBondContact O-N 3.32Å; T254-V256 PolarHBondContact O-N 3.36Å; T254-V256 VanDerWaalsContact O-N 3.15Å; V256-L258 HydrophobicContact CG2-CD1 4.29Å; V256-L258 HydrophobicContact CG2-CG 4.18Å
257	G	98.1	Very high	98	Very high	43 Å²	43	58.6 Å²	58.6	44%	0.443	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.7	19.8	171.9	0	0	0	0	0	114.9	T254	T254-G257 PolarHBondContact O-N 2.74Å
258	L	98.7	Very high	97.8	Very high	6 Å²	6	54.6 Å²	54.6	3%	0.031	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	146.5	173.5	-52.8	177	0	0	0	111.7	V198 L201 L207 F253 T254 V256 Y288 N289 K290	V198-L258 HydrophobicContact CB-CD2 4.34Å; V198-L258 HydrophobicContact CG1-CD1 3.79Å; V198-L258 HydrophobicContact CG1-CD2 4Å; V198-L258 HydrophobicContact CG1-CG 4.04Å; L201-L258 HydrophobicContact CD1-CD2 4.36Å; L207-L258 HydrophobicContact CB-CD1 3.9Å; L207-L258 HydrophobicContact CD2-CD1 3.83Å; L207-L258 HydrophobicContact CG-CD1 4.37Å; F253-L258 HydrophobicContact CB-CD1 4.32Å; F253-L258 WeakPolarHBondContact O-CB 3.41Å; F253-L258 PolarHBondContact O-N 2.67Å; F253-L258 VanDerWaalsContact O-N 3.16Å; T254-L258 WeakPolarHBondContact CA-O 3.35Å; V256-L258 HydrophobicContact CG2-CD1 4.29Å; V256-L258 HydrophobicContact CG2-CG 4.18Å; L258-Y288 HydrophobicContact CB-CD1 4.18Å; L258-Y288 HydrophobicContact CB-CG 4.47Å; L258-N289 CarbonylContact C-O 3.51Å; L258-N289 VanDerWaalsContact CA-O 3.23Å; L258-N289 WeakPolarHBondContact CA-O 3.26Å; L258-N289 WeakPolarHBondContact CB-O 3.15Å; L258-K290 HydrophobicContact CD2-CB 3.74Å; L258-K290 HydrophobicContact CD2-CG 4.3Å
259	E	98.6	Very high	97.7	Very high	106 Å²	106	52 Å²	52	50%	0.495	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	147.1	173.6	162.2	-175	-132.8	0	0	110.6	I261 Y288 N289 I291	E259-I261 PolarHBondContact O-N 3.36Å; E259-Y288 CarbonylContact O-C 3.56Å; E259-Y288 WeakPolarHBondContact O-CA 3.41Å; E259-Y288 VanDerWaalsContact O-CB 3.31Å; E259-Y288 WeakPolarHBondContact O-CB 3.43Å; E259-Y288 VanDerWaalsContact O-CD1 3.25Å; E259-Y288 WeakPolarHBondContact O-CD1 3.46Å; E259-N289 WeakPolarHBondContact CA-OD1 3.47Å; E259-N289 WeakPolarHBondContact CB-OD1 3.5Å; E259-N289 WeakPolarHBondContact CG-OD1 3.32Å; E259-N289 PolarHBondContact N-O 3.21Å; E259-N289 PolarHBondContact O-N 3.36Å; E259-N289 PolarHBondContact O-OD1 3.35Å; E259-N289 PolarHBondContact OE2-ND2 3.21Å; E259-N289 PolarHBondContact OE2-OD1 2.82Å; E259-I291 HydrophobicContact CB-CD1 4.15Å; E259-I291 HydrophobicContact CB-CG1 4.14Å
260	K	98.7	Very high	97.5	Very high	109 Å²	109	54.4 Å²	54.4	47%	0.474	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	118.1	-174.6	-179.8	177	64.1	-167	0	110.4	N263 Y288	K260-N263 HydrophobicContact CD-CB 3.96Å; K260-N263 HydrophobicContact CG-CB 4.39Å; K260-Y288 HydrophobicContact CB-CD1 4.07Å; K260-Y288 HydrophobicContact CB-CE1 3.53Å; K260-Y288 HydrophobicContact CG-CE1 4Å; K260-Y288 HydrophobicContact CG-CE2 4.39Å
261	I	98.3	Very high	97.3	Very high	91 Å²	91	51.8 Å²	51.8	47%	0.467	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	-49.1	164.1	-60.4	162.9	0	0	0	109.5	V206 E259 K287 N289	V206-I261 HydrophobicContact CG1-CD1 4.02Å; V206-I261 HydrophobicContact CG2-CD1 4.13Å; E259-I261 PolarHBondContact O-N 3.36Å; I261-K287 WeakPolarHBondContact CA-O 3.21Å; I261-K287 HydrophobicContact CB-CB 3.97Å; I261-K287 WeakPolarHBondContact CB-O 3.34Å; I261-K287 HydrophobicContact CG2-CB 4.27Å; I261-K287 PolarHBondContact N-O 3.07Å; I261-N289 HydrophobicContact CD1-CB 3.88Å; I261-N289 HydrophobicContact CG1-CB 4.3Å
262	Q	98.3	Very high	97	Very high	71 Å²	71	48.3 Å²	48.3	33%	0.332	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	141.4	-177.9	-171.5	171.1	-79.3	0	0	110.9	K264 Q285 C286 K287	Q262-K264 HydrophobicContact CG-CB 4.47Å; Q262-Q285 VanDerWaalsContact NE2-CD 3.26Å; Q262-Q285 VanDerWaalsContact NE2-NE2 3.11Å; Q262-C286 CarbonylContact O-C 3.54Å; Q262-C286 VanDerWaalsContact O-CA 3.29Å; Q262-C286 WeakPolarHBondContact O-CA 3.38Å; Q262-K287 HydrophobicContact CB-CB 3.96Å; Q262-K287 HydrophobicContact CB-CD 4.18Å; Q262-K287 HydrophobicContact CB-CG 4.09Å; Q262-K287 PolarHBondContact N-O 3.25Å; Q262-K287 PolarHBondContact O-N 2.91Å
263	N	98.2	Very high	96.6	Very high	32 Å²	32	53.4 Å²	53.4	17%	0.171	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	109.2	169.2	-176.8	-17.8	0	0	0	107	Q246 K260 Y288	Q246-N263 WeakPolarHBondContact CB-OD1 3.2Å; Q246-N263 WeakPolarHBondContact CG-OD1 3.23Å; Q246-N263 PolarHBondContact NE2-O 3.01Å; Q246-N263 PolarHBondContact NE2-OD1 2.77Å; Q246-N263 PolarHBondContact O-ND2 3.42Å; K260-N263 HydrophobicContact CD-CB 3.96Å; K260-N263 HydrophobicContact CG-CB 4.39Å; N263-Y288 HydrophobicContact CB-CE2 4.49Å; N263-Y288 PolarHBondContact ND2-OH 3.07Å
264	K	96.6	Very high	96.2	Very high	110 Å²	110	63 Å²	63	48%	0.478	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	137.9	-171.8	173.4	175.5	177.7	179.9	0	111.2	Q262 I284 Q285	Q262-K264 HydrophobicContact CG-CB 4.47Å; K264-I284 WeakPolarHBondContact O-CA 3.31Å; K264-Q285 PolarHBondContact N-O 2.89Å; K264-Q285 PolarHBondContact O-N 2.9Å
265	V	96.4	Very high	96	Very high	28 Å²	28	67.2 Å²	67.2	17%	0.17	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	130	161.9	-166.5	0	0	0	0	110	Q246 R267 I282 W283	Q246-V265 HydrophobicContact CG-CG2 3.43Å; Q246-V265 VanDerWaalsContact CG-CG2 3.43Å; Q246-V265 VanDerWaalsContact OE1-CG2 3.28Å; V265-R267 HydrophobicContact CG1-CG 3.71Å; V265-I282 HydrophobicContact CG1-CG2 3.49Å; V265-I282 VanDerWaalsContact CG1-CG2 3.49Å; V265-W283 WeakPolarHBondContact CA-O 3.18Å
266	D	95.1	Very high	95.5	Very high	16 Å²	16	71.5 Å²	71.5	9%	0.086	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	98.1	171.1	175.8	12.9	0	0	0	108.9	R210 R268 I282 W283	R210-D266 IonicContact CZ-OD2 3.31Å; R210-D266 IonicContact NH1-OD2 2.82Å; R210-D266 PolarHBondContact NH1-OD2 3.43Å; R210-D266 IonicContact NH2-OD2 2.75Å; R210-D266 PolarHBondContact NH2-OD2 3.46Å; D266-R268 VanDerWaalsContact OD1-CG 3.24Å; D266-R268 WeakPolarHBondContact OD1-CG 3.41Å; D266-R268 IonicContact OD1-CZ 3.74Å; D266-R268 IonicContact OD1-NE 3.94Å; D266-R268 PolarHBondContact OD1-NE 3.15Å; D266-R268 IonicContact OD1-NH2 2.76Å; D266-R268 IonicContact OD2-CZ 3.74Å; D266-R268 IonicContact OD2-NE 2.92Å; D266-R268 PolarHBondContact OD2-NE 3.43Å; D266-R268 VanDerWaalsContact OD2-NE 3.12Å; D266-R268 IonicContact OD2-NH2 3.26Å; D266-R268 PolarHBondContact OD2-NH2 3.31Å; D266-I282 WeakPolarHBondContact O-CA 3.4Å; D266-W283 HydrophobicContact CB-CB 4.28Å; D266-W283 PolarHBondContact N-O 3.3Å; D266-W283 PolarHBondContact O-N 3.42Å
267	R	95.4	Very high	95.3	Very high	82 Å²	82	74.8 Å²	74.8	31%	0.309	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	120.6	177.3	-60.6	178.9	175.7	158.6	-5.6	109.5	D29 F30 V265	D29-R267 WeakPolarHBondContact CA-O 3.31Å; D29-R267 PolarHBondContact N-O 2.84Å; F30-R267 PolarHBondContact N-O 2.94Å; F30-R267 VanDerWaalsContact N-O 3.13Å; F30-R267 VanDerWaalsContact O-CB 3.3Å; F30-R267 WeakPolarHBondContact O-CB 3.32Å; V265-R267 HydrophobicContact CG1-CG 3.71Å
268	R	94.8	Very high	95.1	Very high	31 Å²	31	77 Å²	77	12%	0.117	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	130.2	178.2	-56	-165.2	-169.5	168.8	-1	111.8	F10 W27 E89 D266 I270 R281 W283	F10-R268 VanDerWaalsContact CE2-NH1 3.28Å; W27-R268 VanDerWaalsContact O-CA 3.31Å; W27-R268 WeakPolarHBondContact O-CA 3.39Å; E89-R268 IonicContact OE1-NH2 2.77Å; E89-R268 PolarHBondContact OE1-NH2 3.48Å; D266-R268 VanDerWaalsContact OD1-CG 3.24Å; D266-R268 WeakPolarHBondContact OD1-CG 3.41Å; D266-R268 IonicContact OD1-CZ 3.74Å; D266-R268 IonicContact OD1-NE 3.94Å; D266-R268 PolarHBondContact OD1-NE 3.15Å; D266-R268 IonicContact OD1-NH2 2.76Å; D266-R268 IonicContact OD2-CZ 3.74Å; D266-R268 IonicContact OD2-NE 2.92Å; D266-R268 PolarHBondContact OD2-NE 3.43Å; D266-R268 VanDerWaalsContact OD2-NE 3.12Å; D266-R268 IonicContact OD2-NH2 3.26Å; D266-R268 PolarHBondContact OD2-NH2 3.31Å; R268-I270 HydrophobicContact CB-CG1 4.46Å; R268-R281 PolarHBondContact N-O 2.93Å; R268-R281 PolarHBondContact O-N 2.95Å; R268-W283 HydrophobicContact CB-CZ3 4.14Å; R268-W283 HydrophobicContact CG-CE3 4.46Å; R268-W283 HydrophobicContact CG-CZ3 3.94Å
269	L	95.6	Very high	94.9	Very high	1 Å²	1	79.1 Å²	79.1	1%	0.005	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	108.2	164.3	167.5	55.3	0	0	0	108.5	L15 V21 A26 W27 F30 V271 K278 Y280	L15-L269 HydrophobicContact CD2-CD2 3.88Å; V21-L269 HydrophobicContact CG2-CD2 3.65Å; A26-L269 CarbonylContact C-O 3.57Å; A26-L269 VanDerWaalsContact CA-O 3.24Å; A26-L269 WeakPolarHBondContact CA-O 3.29Å; W27-L269 HydrophobicContact CB-CB 4.28Å; W27-L269 PolarHBondContact N-O 3.49Å; W27-L269 PolarHBondContact O-N 2.92Å; F30-L269 HydrophobicContact CB-CB 3.82Å; F30-L269 HydrophobicContact CD1-CB 4.13Å; F30-L269 HydrophobicContact CD2-CB 3.95Å; F30-L269 HydrophobicContact CD2-CD2 3.77Å; F30-L269 HydrophobicContact CE2-CD2 3.73Å; F30-L269 HydrophobicContact CG-CB 3.66Å; F30-L269 HydrophobicContact CG-CD2 4.21Å; F30-L269 HydrophobicContact CZ-CD2 4.11Å; L269-V271 HydrophobicContact CD1-CG1 3.96Å; L269-V271 HydrophobicContact CG-CG1 4.09Å; L269-K278 HydrophobicContact CD1-CB 3.75Å; L269-K278 HydrophobicContact CD1-CG 4.14Å; L269-Y280 HydrophobicContact CB-CD1 4.31Å; L269-Y280 HydrophobicContact CB-CE1 4.43Å; L269-Y280 HydrophobicContact CD1-CD1 3.89Å; L269-Y280 HydrophobicContact CD1-CE1 3.64Å; L269-Y280 HydrophobicContact CD2-CE1 4.23Å; L269-Y280 HydrophobicContact CG-CE1 4.31Å
270	I	94.8	Very high	94.8	Very high	50 Å²	50	76.2 Å²	76.2	26%	0.256	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	134.7	172.7	-54.6	179.7	0	0	0	108.3	A26 R268 M279 R281	A26-I270 HydrophobicContact CB-CG1 4.5Å; R268-I270 HydrophobicContact CB-CG1 4.46Å; I270-M279 HydrophobicContact CB-CB 4.2Å; I270-M279 HydrophobicContact CB-CE 4.18Å; I270-M279 HydrophobicContact CG2-CE 3.66Å; I270-M279 PolarHBondContact N-O 2.94Å; I270-M279 WeakPolarHBondContact O-CA 3.28Å; I270-M279 WeakPolarHBondContact O-CB 3.46Å; I270-M279 PolarHBondContact O-N 3.39Å; I270-R281 HydrophobicContact CD1-CG 3.64Å; I270-R281 HydrophobicContact CG1-CG 4.21Å
271	V	93.7	Very high	94.7	Very high	6 Å²	6	73.9 Å²	73.9	4%	0.036	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	133.1	178.6	-60.9	0	0	0	0	111.9	V21 Y22 R24 N25 L269 R273 L277 K278	V21-V271 HydrophobicContact CG2-CG1 3.97Å; Y22-V271 HydrophobicContact CD1-CB 4.13Å; Y22-V271 HydrophobicContact CD1-CG1 4.49Å; Y22-V271 HydrophobicContact CD1-CG2 4.34Å; Y22-V271 HydrophobicContact CE1-CB 4.28Å; Y22-V271 HydrophobicContact CE1-CG1 4.45Å; R24-V271 WeakPolarHBondContact O-CG2 3.18Å; N25-V271 PolarHBondContact O-N 2.92Å; L269-V271 HydrophobicContact CD1-CG1 3.96Å; L269-V271 HydrophobicContact CG-CG1 4.09Å; V271-R273 HydrophobicContact CG2-CG 4.16Å; V271-L277 CarbonylContact C-O 3.33Å; V271-L277 WeakPolarHBondContact CA-O 3.16Å; V271-K278 HydrophobicContact CG1-CG 4.29Å
272	N	92.4	Very high	94.7	Very high	59 Å²	59	70 Å²	70	32%	0.316	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	100.2	163.2	-173.1	-50.5	0	0	0	108.1	K274 K275 K276 L277	N272-K274 VanDerWaalsContact C-N 3.32Å; N272-K274 PolarHBondContact O-N 3.23Å; N272-K274 PolarHBondContact OD1-N 2.82Å; N272-K275 HydrophobicContact CB-CB 4.41Å; N272-K275 PolarHBondContact O-N 3.31Å; N272-K275 PolarHBondContact OD1-N 3.11Å; N272-K276 VanDerWaalsContact O-CA 3.31Å; N272-K276 WeakPolarHBondContact O-CA 3Å; N272-K276 PolarHBondContact O-N 3.45Å; N272-L277 HydrophobicContact CB-CB 4.17Å; N272-L277 PolarHBondContact N-O 3.48Å; N272-L277 PolarHBondContact O-N 3.22Å; N272-L277 VanDerWaalsContact O-N 3.12Å
273	R	90.5	Very high	94.7	Very high	139 Å²	139	67.7 Å²	67.7	53%	0.525	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-37.3	-176.4	-62.7	171.4	68.5	-156.5	1.1	112.9	Y22 N25 V271	Y22-R273 WeakPolarHBondContact O-CD 3.08Å; Y22-R273 PolarHBondContact O-NE 2.73Å; N25-R273 WeakPolarHBondContact OD1-CD 3.29Å; V271-R273 HydrophobicContact CG2-CG 4.16Å
274	K	91.5	Very high	94.7	Very high	202 Å²	202	66.3 Å²	66.3	88%	0.878	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-44.5	179.3	-176.5	175.8	-179.3	176.1	0	112.2	N272	N272-K274 VanDerWaalsContact C-N 3.32Å; N272-K274 PolarHBondContact O-N 3.23Å; N272-K274 PolarHBondContact OD1-N 2.82Å
275	K	92.8	Very high	94.8	Very high	149 Å²	149	61.4 Å²	61.4	65%	0.648	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-2.5	-178.9	-62.9	-172.9	175.5	-174.9	0	113.4	N272 L277	N272-K275 HydrophobicContact CB-CB 4.41Å; N272-K275 PolarHBondContact O-N 3.31Å; N272-K275 PolarHBondContact OD1-N 3.11Å; K275-L277 HydrophobicContact CB-CD1 3.74Å; K275-L277 HydrophobicContact CB-CG 3.73Å; K275-L277 HydrophobicContact CD-CD1 3.9Å; K275-L277 HydrophobicContact CG-CD1 4.48Å; K275-L277 PolarHBondContact O-N 3.07Å
276	K	89.5	Confident	94.9	Very high	152 Å²	152	60 Å²	60	66%	0.661	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.2	42.1	-170.4	-62.8	-172.1	177	-175.3	0	112.9	Y22 N272	Y22-K276 HydrophobicContact CE1-CB 4.2Å; Y22-K276 PolarHBondContact OH-O 3.12Å; N272-K276 VanDerWaalsContact O-CA 3.31Å; N272-K276 WeakPolarHBondContact O-CA 3Å; N272-K276 PolarHBondContact O-N 3.45Å
277	L	92.7	Very high	95	Very high	87 Å²	87	60.1 Å²	60.1	46%	0.455	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	131.1	179.5	-64.3	173.3	0	0	0	110.7	V271 N272 K275	V271-L277 CarbonylContact C-O 3.33Å; V271-L277 WeakPolarHBondContact CA-O 3.16Å; N272-L277 HydrophobicContact CB-CB 4.17Å; N272-L277 PolarHBondContact N-O 3.48Å; N272-L277 PolarHBondContact O-N 3.22Å; N272-L277 VanDerWaalsContact O-N 3.12Å; K275-L277 HydrophobicContact CB-CD1 3.74Å; K275-L277 HydrophobicContact CB-CG 3.73Å; K275-L277 HydrophobicContact CD-CD1 3.9Å; K275-L277 HydrophobicContact CG-CD1 4.48Å; K275-L277 PolarHBondContact O-N 3.07Å
278	K	94	Very high	95.2	Very high	90 Å²	90	56.2 Å²	56.2	39%	0.391	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	135.4	170.3	-62.7	-177.1	-175	-177.3	0	109.6	V21 L269 V271 Y280	V21-K278 HydrophobicContact CG2-CD 4.33Å; L269-K278 HydrophobicContact CD1-CB 3.75Å; L269-K278 HydrophobicContact CD1-CG 4.14Å; V271-K278 HydrophobicContact CG1-CG 4.29Å; K278-Y280 HydrophobicContact CB-CE2 4.15Å; K278-Y280 WeakPolarHBondContact CD-OH 3.43Å
279	M	95.5	Very high	95.4	Very high	50 Å²	50	56.4 Å²	56.4	25%	0.246	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	105.9	-178.3	-69.3	-176.8	-63.9	0	0	108.8	L217 I270 R281	L217-M279 HydrophobicContact CD2-CB 3.61Å; L217-M279 HydrophobicContact CD2-CG 3.67Å; L217-M279 HydrophobicContact CD2-SD 4.26Å; I270-M279 HydrophobicContact CB-CB 4.2Å; I270-M279 HydrophobicContact CB-CE 4.18Å; I270-M279 HydrophobicContact CG2-CE 3.66Å; I270-M279 PolarHBondContact N-O 2.94Å; I270-M279 WeakPolarHBondContact O-CA 3.28Å; I270-M279 WeakPolarHBondContact O-CB 3.46Å; I270-M279 PolarHBondContact O-N 3.39Å; M279-R281 PolarHBondContact O-N 3.2Å
280	Y	96.3	Very high	95.5	Very high	46 Å²	46	58 Å²	58	18%	0.18	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	108.7	-178.3	-55.2	-80.6	0	0	0	110.2	F30 W32 Q36 L217 L269 K278	F30-Y280 AromaticContact CD1-CD1 3.83Å; F30-Y280 HydrophobicContact CD1-CD1 3.83Å; F30-Y280 AromaticContact CD1-CE1 3.8Å; F30-Y280 HydrophobicContact CD1-CE1 3.8Å; F30-Y280 AromaticContact CE1-CD1 3.88Å; F30-Y280 HydrophobicContact CE1-CD1 3.88Å; F30-Y280 AromaticContact CE1-CE1 3.39Å; F30-Y280 HydrophobicContact CE1-CE1 3.39Å; F30-Y280 HydrophobicContact CZ-CE1 4.08Å; W32-Y280 AromaticContact CE2-CG 3.96Å; W32-Y280 HydrophobicContact CZ2-CD2 4.41Å; W32-Y280 AromaticContact CZ2-CG 3.93Å; W32-Y280 HydrophobicContact CZ2-CG 3.93Å; W32-Y280 AromaticContact NE1-CD1 3.48Å; W32-Y280 AromaticContact NE1-CG 3.67Å; Q36-Y280 PolarHBondContact NE2-OH 3.03Å; L217-Y280 VanDerWaalsContact CB-O 3.24Å; L217-Y280 WeakPolarHBondContact CB-O 3.29Å; L217-Y280 PolarHBondContact N-O 3.1Å; L269-Y280 HydrophobicContact CB-CD1 4.31Å; L269-Y280 HydrophobicContact CB-CE1 4.43Å; L269-Y280 HydrophobicContact CD1-CD1 3.89Å; L269-Y280 HydrophobicContact CD1-CE1 3.64Å; L269-Y280 HydrophobicContact CD2-CE1 4.23Å; L269-Y280 HydrophobicContact CG-CE1 4.31Å; K278-Y280 HydrophobicContact CB-CE2 4.15Å; K278-Y280 WeakPolarHBondContact CD-OH 3.43Å
281	R	97.2	Very high	95.3	Very high	60 Å²	60	62.8 Å²	62.8	23%	0.226	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	141.2	-179.8	-57.2	-55.9	-58.2	-87.6	-2.3	110.5	D216 R268 I270 M279 W283	D216-R281 WeakPolarHBondContact OD1-CA 3.49Å; D216-R281 IonicContact OD1-CZ 3.28Å; D216-R281 IonicContact OD1-NE 3.46Å; D216-R281 PolarHBondContact OD1-NE 3.01Å; D216-R281 IonicContact OD1-NH2 2.66Å; D216-R281 IonicContact OD2-CZ 3.7Å; D216-R281 IonicContact OD2-NE 3.72Å; D216-R281 PolarHBondContact OD2-NE 2.99Å; D216-R281 IonicContact OD2-NH2 3.76Å; R268-R281 PolarHBondContact N-O 2.93Å; R268-R281 PolarHBondContact O-N 2.95Å; I270-R281 HydrophobicContact CD1-CG 3.64Å; I270-R281 HydrophobicContact CG1-CG 4.21Å; M279-R281 PolarHBondContact O-N 3.2Å; R281-W283 HydrophobicContact CB-CE3 4.05Å; R281-W283 HydrophobicContact CB-CH2 3.25Å; R281-W283 HydrophobicContact CB-CZ2 3.88Å; R281-W283 HydrophobicContact CB-CZ3 3.33Å; R281-W283 HydrophobicContact CG-CH2 3.72Å; R281-W283 HydrophobicContact CG-CZ2 4.28Å; R281-W283 HydrophobicContact CG-CZ3 4.25Å
282	I	97.7	Very high	95.4	Very high	9 Å²	9	65.7 Å²	65.7	5%	0.046	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	124.2	-178.5	-53.6	-177.7	0	0	0	108.2	W32 G213 R214 F215 D216 V265 D266	W32-I282 HydrophobicContact CH2-CD1 4.45Å; W32-I282 HydrophobicContact CZ2-CD1 4.08Å; G213-I282 PolarHBondContact N-O 3.26Å; R214-I282 WeakPolarHBondContact O-CD1 3.34Å; F215-I282 HydrophobicContact CB-CD1 3.91Å; D216-I282 HydrophobicContact CB-CB 4.16Å; D216-I282 PolarHBondContact OD1-N 3.2Å; V265-I282 HydrophobicContact CG1-CG2 3.49Å; V265-I282 VanDerWaalsContact CG1-CG2 3.49Å; D266-I282 WeakPolarHBondContact O-CA 3.4Å
283	W	98	Very high	95.6	Very high	22 Å²	22	66 Å²	66	8%	0.083	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	158.7	171.8	-62.6	-76.7	0	0	0	109.6	F180 R210 D211 V265 D266 R268 R281	F180-W283 AromaticContact CE1-CD1 3.4Å; F180-W283 VanDerWaalsContact CE1-CD1 3.4Å; F180-W283 AromaticContact CE1-NE1 3.44Å; F180-W283 AromaticContact CZ-CD1 3.65Å; F180-W283 AromaticContact CZ-NE1 3.5Å; R210-W283 VanDerWaalsContact NH2-CE3 3.26Å; D211-W283 CarbonylContact O-C 3.53Å; D211-W283 VanDerWaalsContact O-CA 3.23Å; D211-W283 WeakPolarHBondContact O-CA 3.47Å; D211-W283 WeakPolarHBondContact O-CB 3.39Å; V265-W283 WeakPolarHBondContact CA-O 3.18Å; D266-W283 HydrophobicContact CB-CB 4.28Å; D266-W283 PolarHBondContact N-O 3.3Å; D266-W283 PolarHBondContact O-N 3.42Å; R268-W283 HydrophobicContact CB-CZ3 4.14Å; R268-W283 HydrophobicContact CG-CE3 4.46Å; R268-W283 HydrophobicContact CG-CZ3 3.94Å; R281-W283 HydrophobicContact CB-CE3 4.05Å; R281-W283 HydrophobicContact CB-CH2 3.25Å; R281-W283 HydrophobicContact CB-CZ2 3.88Å; R281-W283 HydrophobicContact CB-CZ3 3.33Å; R281-W283 HydrophobicContact CG-CH2 3.72Å; R281-W283 HydrophobicContact CG-CZ2 4.28Å; R281-W283 HydrophobicContact CG-CZ3 4.25Å
284	I	98.3	Very high	95.9	Very high	3 Å²	3	61.9 Å²	61.9	2%	0.015	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	132.6	166	-56.6	-178	0	0	0	107.6	R210 D211 F244 T245 Q246 L249 K264	R210-I284 VanDerWaalsContact CA-O 3.28Å; R210-I284 WeakPolarHBondContact CA-O 3.5Å; D211-I284 PolarHBondContact N-O 3.27Å; D211-I284 PolarHBondContact O-N 3.44Å; F244-I284 HydrophobicContact CB-CD1 4.02Å; F244-I284 WeakPolarHBondContact O-CD1 3.29Å; T245-I284 WeakPolarHBondContact O-CD1 3.16Å; Q246-I284 HydrophobicContact CG-CD1 4.17Å; Q246-I284 HydrophobicContact CG-CG2 4.45Å; L249-I284 HydrophobicContact CD1-CB 3.82Å; L249-I284 HydrophobicContact CD1-CD1 3.86Å; L249-I284 HydrophobicContact CD1-CG1 4.43Å; L249-I284 HydrophobicContact CD1-CG2 3.53Å; K264-I284 WeakPolarHBondContact O-CA 3.31Å
285	Q	97.8	Very high	96.1	Very high	7 Å²	7	53.7 Å²	53.7	3%	0.033	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	130.7	173.3	-172.6	-87.2	24.1	0	0	107.9	E89 F90 F209 Q262 K264 K287	E89-Q285 PolarHBondContact O-NE2 2.82Å; F90-Q285 HydrophobicContact CE1-CG 3.62Å; F90-Q285 VanDerWaalsContact CE1-NE2 3.31Å; F90-Q285 HydrophobicContact CZ-CG 4.03Å; F209-Q285 CarbonylContact O-C 3.51Å; F209-Q285 WeakPolarHBondContact O-CA 3.37Å; Q262-Q285 VanDerWaalsContact NE2-CD 3.26Å; Q262-Q285 VanDerWaalsContact NE2-NE2 3.11Å; K264-Q285 PolarHBondContact N-O 2.89Å; K264-Q285 PolarHBondContact O-N 2.9Å; Q285-K287 VanDerWaalsContact NE2-CE 3.33Å
286	C	98.6	Very high	96.3	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	146.9	-177	-73.9	0	0	0	0	110.7	F209 F253 Q262 Y288	F209-C286 HydrophobicContact CB-CB 3.98Å; F209-C286 HydrophobicContact CD1-CB 3.97Å; F209-C286 HydrophobicContact CG-CB 4.36Å; F209-C286 PolarHBondContact N-O 2.96Å; F209-C286 PolarHBondContact O-N 3.05Å; F253-C286 HydrophobicContact CE2-CB 3.89Å; Q262-C286 CarbonylContact O-C 3.54Å; Q262-C286 VanDerWaalsContact O-CA 3.29Å; Q262-C286 WeakPolarHBondContact O-CA 3.38Å; C286-Y288 HydrophobicContact CB-CD2 3.94Å; C286-Y288 HydrophobicContact CB-CE2 3.69Å
287	K	98.6	Very high	96.8	Very high	17 Å²	17	40.8 Å²	40.8	7%	0.074	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	125.9	169.5	-56.7	-179.3	-179.4	179	0	108.2	E89 E92 L207 L208 I261 Q262 Q285	E89-K287 WeakPolarHBondContact O-CE 3.46Å; E89-K287 PolarHBondContact O-NZ 2.99Å; E89-K287 VanDerWaalsContact O-NZ 3.1Å; E92-K287 VanDerWaalsContact OE1-CD 3.31Å; E92-K287 WeakPolarHBondContact OE1-CD 3.32Å; E92-K287 WeakPolarHBondContact OE1-CE 3.43Å; E92-K287 IonicContact OE1-NZ 3.04Å; E92-K287 PolarHBondContact OE1-NZ 3.47Å; E92-K287 WeakPolarHBondContact OE2-CE 3.35Å; E92-K287 IonicContact OE2-NZ 3.34Å; E92-K287 PolarHBondContact OE2-NZ 3.26Å; L207-K287 WeakPolarHBondContact O-CA 3.46Å; L208-K287 HydrophobicContact CD2-CB 4.41Å; L208-K287 HydrophobicContact CD2-CD 4.34Å; L208-K287 HydrophobicContact CD2-CG 3.89Å; I261-K287 WeakPolarHBondContact CA-O 3.21Å; I261-K287 HydrophobicContact CB-CB 3.97Å; I261-K287 WeakPolarHBondContact CB-O 3.34Å; I261-K287 HydrophobicContact CG2-CB 4.27Å; I261-K287 PolarHBondContact N-O 3.07Å; Q262-K287 HydrophobicContact CB-CB 3.96Å; Q262-K287 HydrophobicContact CB-CD 4.18Å; Q262-K287 HydrophobicContact CB-CG 4.09Å; Q262-K287 PolarHBondContact N-O 3.25Å; Q262-K287 PolarHBondContact O-N 2.91Å; Q285-K287 VanDerWaalsContact NE2-CE 3.33Å
288	Y	98.8	Very high	97.1	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	131.7	-178.4	-77.3	-107	0	0	0	110	V206 L207 H250 F253 T254 L258 E259 K260 N263 C286	V206-Y288 CarbonylContact C-O 3.58Å; V206-Y288 WeakPolarHBondContact CA-O 3.24Å; L207-Y288 PolarHBondContact N-O 3.36Å; L207-Y288 PolarHBondContact O-N 3.02Å; H250-Y288 WeakPolarHBondContact CA-OH 3.41Å; H250-Y288 AromaticContact ND1-CE1 3.83Å; H250-Y288 AromaticContact ND1-CZ 3.93Å; H250-Y288 PolarHBondContact ND1-OH 3.13Å; H250-Y288 VanDerWaalsContact ND1-OH 3.13Å; F253-Y288 HydrophobicContact CB-CD1 3.61Å; F253-Y288 HydrophobicContact CB-CD2 4.31Å; F253-Y288 HydrophobicContact CB-CE1 3.71Å; F253-Y288 HydrophobicContact CB-CE2 4.44Å; F253-Y288 HydrophobicContact CB-CG 3.95Å; F253-Y288 HydrophobicContact CD2-CD1 4.35Å; F253-Y288 AromaticContact CD2-CD2 3.56Å; F253-Y288 HydrophobicContact CD2-CD2 3.56Å; F253-Y288 HydrophobicContact CD2-CE1 4.21Å; F253-Y288 AromaticContact CD2-CE2 3.43Å; F253-Y288 HydrophobicContact CD2-CE2 3.43Å; F253-Y288 VanDerWaalsContact CD2-CE2 3.43Å; F253-Y288 HydrophobicContact CD2-CG 4.06Å; F253-Y288 AromaticContact CD2-CZ 3.77Å; F253-Y288 HydrophobicContact CE2-CD2 4.21Å; F253-Y288 HydrophobicContact CE2-CE2 4.11Å; F253-Y288 HydrophobicContact CG-CD1 4.37Å; F253-Y288 HydrophobicContact CG-CD2 4.21Å; F253-Y288 HydrophobicContact CG-CE1 4.46Å; F253-Y288 HydrophobicContact CG-CE2 4.34Å; F253-Y288 HydrophobicContact CG-CG 4.27Å; T254-Y288 HydrophobicContact CG2-CE1 4.45Å; L258-Y288 HydrophobicContact CB-CD1 4.18Å; L258-Y288 HydrophobicContact CB-CG 4.47Å; E259-Y288 CarbonylContact O-C 3.56Å; E259-Y288 WeakPolarHBondContact O-CA 3.41Å; E259-Y288 VanDerWaalsContact O-CB 3.31Å; E259-Y288 WeakPolarHBondContact O-CB 3.43Å; E259-Y288 VanDerWaalsContact O-CD1 3.25Å; E259-Y288 WeakPolarHBondContact O-CD1 3.46Å; K260-Y288 HydrophobicContact CB-CD1 4.07Å; K260-Y288 HydrophobicContact CB-CE1 3.53Å; K260-Y288 HydrophobicContact CG-CE1 4Å; K260-Y288 HydrophobicContact CG-CE2 4.39Å; N263-Y288 HydrophobicContact CB-CE2 4.49Å; N263-Y288 PolarHBondContact ND2-OH 3.07Å; C286-Y288 HydrophobicContact CB-CD2 3.94Å; C286-Y288 HydrophobicContact CB-CE2 3.69Å
289	N	98.2	Very high	97.3	Very high	35 Å²	35	33.5 Å²	33.5	19%	0.187	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	146.7	175.6	56.8	-19.8	0	0	0	110.5	G205 L258 E259 I261	G205-N289 CarbonylContact O-C 3.59Å; G205-N289 WeakPolarHBondContact O-CA 3.48Å; L258-N289 CarbonylContact C-O 3.51Å; L258-N289 VanDerWaalsContact CA-O 3.23Å; L258-N289 WeakPolarHBondContact CA-O 3.26Å; L258-N289 WeakPolarHBondContact CB-O 3.15Å; E259-N289 WeakPolarHBondContact CA-OD1 3.47Å; E259-N289 WeakPolarHBondContact CB-OD1 3.5Å; E259-N289 WeakPolarHBondContact CG-OD1 3.32Å; E259-N289 PolarHBondContact N-O 3.21Å; E259-N289 PolarHBondContact O-N 3.36Å; E259-N289 PolarHBondContact O-OD1 3.35Å; E259-N289 PolarHBondContact OE2-ND2 3.21Å; E259-N289 PolarHBondContact OE2-OD1 2.82Å; I261-N289 HydrophobicContact CD1-CB 3.88Å; I261-N289 HydrophobicContact CG1-CB 4.3Å
290	K	98.6	Very high	97.5	Very high	34 Å²	34	32.1 Å²	32.1	15%	0.148	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	129.5	164.1	-177.4	172.5	175.6	-179.9	0	109.3	N171 V198 L201 G204 G205 L258	N171-K290 PolarHBondContact OD1-NZ 3.24Å; V198-K290 WeakPolarHBondContact O-CD 3.4Å; V198-K290 PolarHBondContact O-NZ 3.39Å; L201-K290 HydrophobicContact CB-CB 4.26Å; L201-K290 HydrophobicContact CB-CD 3.71Å; L201-K290 HydrophobicContact CD1-CB 4.46Å; L201-K290 VanDerWaalsContact O-CD 3.27Å; L201-K290 WeakPolarHBondContact O-CD 3.34Å; L201-K290 WeakPolarHBondContact O-CE 3.4Å; L201-K290 PolarHBondContact O-NZ 2.87Å; G204-K290 WeakPolarHBondContact CA-O 3.38Å; G204-K290 PolarHBondContact N-O 3.2Å; G205-K290 PolarHBondContact O-N 3.3Å; L258-K290 HydrophobicContact CD2-CB 3.74Å; L258-K290 HydrophobicContact CD2-CG 4.3Å
291	I	91.6	Very high	97.6	Very high	152 Å²	152	30.8 Å²	30.8	78%	0.779	15%	0.145	S	C	*	.			trans	-72.1	0	175.1	-54.4	174.9	0	0	0	109.8	E259	E259-I291 HydrophobicContact CB-CD1 4.15Å; E259-I291 HydrophobicContact CB-CG1 4.14Å

Retrieved 291 of 291 residues in 260.4 ms (Link to these results)

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