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Glucose-methanol-choline oxidoreductase N-terminal domain-containing protein

AlphaFold DB (Q8MQY9), UniProt , Accession X2JDS6, Species DROME (Drosophila melanogaster, Fruit fly), Gene CG9517, Length 613 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	34.8	Very low	50.5	Low	251 Å²	251	118.9 Å²	118.9	100%	1.236	70%	0.701	S	S	*	*				0	102.6	0	-79.1	177.3	-149.4	0	0	109
2	A	46.1	Very low	52.2	Low	85 Å²	85	117.2 Å²	117.2	70%	0.702	68%	0.683	S	S	*	*			trans	-161.6	20.6	167.1	0	0	0	0	0	114.4
3	F	46.7	Very low	53.7	Low	197 Å²	197	115.5 Å²	115.5	86%	0.864	67%	0.668	S	S	*	*			trans	-96.3	7.7	178.7	-79.4	-77	0	0	0	114.2
4	G	44.1	Very low	54.9	Low	65 Å²	65	112.6 Å²	112.6	67%	0.67	66%	0.655	S	S	*	*	S	Bend	trans	-83.1	-9.7	-176.3	0	0	0	0	0	116.2
5	T	50.9	Low	56.2	Low	103 Å²	103	112.5 Å²	112.5	63%	0.632	65%	0.65	S	S	*	*	S	Bend	trans	-101.2	-31.6	-172.3	50.2	0	0	0	0	114.2	T7 S8	T5-T7 PolarHBondContact O-N 3.27Å; T5-S8 PolarHBondContact O-N 3.11Å; T5-S8 PolarHBondContact O-OG 3.15Å
6	M	47.8	Very low	57.3	Low	138 Å²	138	112 Å²	112	68%	0.68	64%	0.644	S	S	*	*	H	α-helix	trans	-70.1	-32.8	-174.5	-104.4	-174.7	120	0	0	114.5	S8 L9 L10	M6-S8 VanDerWaalsContact C-N 3.29Å; M6-S8 PolarHBondContact O-N 3.01Å; M6-L9 PolarHBondContact O-N 2.71Å; M6-L10 PolarHBondContact O-N 3.06Å
7	T	51.4	Low	58	Low	106 Å²	106	107.9 Å²	107.9	65%	0.65	63%	0.626	S	S	*	*	H	α-helix	trans	-66.7	-31	178.6	43.8	0	0	0	0	112.4	T5 G11	T5-T7 PolarHBondContact O-N 3.27Å; T7-G11 PolarHBondContact O-N 2.88Å
8	S	57	Low	58.9	Low	76 Å²	76	108 Å²	108	53%	0.531	62%	0.623	S	S	.	*	H	α-helix	trans	-69.2	-35.1	176	73.7	0	0	0	0	113.1	T5 M6	T5-S8 PolarHBondContact O-N 3.11Å; T5-S8 PolarHBondContact O-OG 3.15Å; M6-S8 VanDerWaalsContact C-N 3.29Å; M6-S8 PolarHBondContact O-N 3.01Å
9	L	53.6	Low	59.5	Low	132 Å²	132	104.3 Å²	104.3	69%	0.691	61%	0.611	S	S	*	*	H	α-helix	trans	-73.4	-40.3	-179.6	-122.3	102.9	0	0	0	112.2	M6 G11 M12	M6-L9 PolarHBondContact O-N 2.71Å; L9-G11 VanDerWaalsContact C-N 3.28Å; L9-G11 PolarHBondContact O-N 3.43Å; L9-M12 WeakPolarHBondContact O-CB 3.28Å; L9-M12 PolarHBondContact O-N 3.44Å
10	L	58.5	Low	60.1	Low	107 Å²	107	104.5 Å²	104.5	56%	0.56	61%	0.607	S	S	*	*	H	α-helix	trans	-64.1	-34.2	177.1	-75.3	159.3	0	0	0	111.8	M6 M12 I13	M6-L10 PolarHBondContact O-N 3.06Å; L10-M12 PolarHBondContact O-N 3.1Å; L10-I13 HydrophobicContact CD2-CD1 3.85Å; L10-I13 WeakPolarHBondContact O-CB 3.31Å; L10-I13 PolarHBondContact O-N 3.42Å
11	G	64.5	Low	60.4	Low	48 Å²	48	104.6 Å²	104.6	50%	0.495	61%	0.605	S	S	.	*	H	α-helix	trans	-65.5	-20.4	175.1	0	0	0	0	0	114.6	T7 L9	T7-G11 PolarHBondContact O-N 2.88Å; L9-G11 VanDerWaalsContact C-N 3.28Å; L9-G11 PolarHBondContact O-N 3.43Å
12	M	70.9	Confident	62.2	Low	98 Å²	98	98.6 Å²	98.6	48%	0.483	57%	0.572	S	S	.	*	H	α-helix	trans	-82.7	-18.5	176.1	-68.1	-66.2	-65.1	0	0	113.1	L9 L10 L15 L16	L9-M12 WeakPolarHBondContact O-CB 3.28Å; L9-M12 PolarHBondContact O-N 3.44Å; L10-M12 PolarHBondContact O-N 3.1Å; M12-L15 PolarHBondContact O-N 3.34Å; M12-L15 HydrophobicContact SD-CD1 4Å; M12-L16 HydrophobicContact CB-CD1 4.45Å; M12-L16 WeakPolarHBondContact O-CB 3.22Å; M12-L16 PolarHBondContact O-N 3.25Å
13	I	71.2	Confident	63.1	Low	96 Å²	96	102.5 Å²	102.5	49%	0.492	57%	0.57	S	S	.	*	H	α-helix	trans	-60.6	-45.6	-176.8	-62.9	176.7	0	0	0	111.9	L10 L15 L16 A17	L10-I13 HydrophobicContact CD2-CD1 3.85Å; L10-I13 WeakPolarHBondContact O-CB 3.31Å; L10-I13 PolarHBondContact O-N 3.42Å; I13-L15 VanDerWaalsContact C-N 3.34Å; I13-L15 PolarHBondContact O-N 3.35Å; I13-L16 PolarHBondContact O-N 3.23Å; I13-A17 VanDerWaalsContact O-CB 3.3Å; I13-A17 WeakPolarHBondContact O-CB 3.49Å; I13-A17 PolarHBondContact O-N 2.98Å
14	P	71.5	Confident	64.1	Low	75 Å²	75	100.7 Å²	100.7	49%	0.487	56%	0.557	S	S	.	*	H	α-helix	trans	-61.5	-40.2	174.2	-24.1	34.9	0	0	0	112.8	A17 I18	P14-A17 PolarHBondContact O-N 2.87Å; P14-I18 WeakPolarHBondContact O-CB 3.24Å; P14-I18 WeakPolarHBondContact O-CD1 3.02Å; P14-I18 WeakPolarHBondContact O-CG1 3.5Å; P14-I18 PolarHBondContact O-N 3.27Å
15	L	73.8	Confident	65.2	Low	111 Å²	111	104.2 Å²	104.2	58%	0.581	55%	0.552	S	S	*	*	H	α-helix	trans	-66.1	-41.9	177.8	-71.3	171	0	0	0	111.8	M12 I13 I18 G19	M12-L15 PolarHBondContact O-N 3.34Å; M12-L15 HydrophobicContact SD-CD1 4Å; I13-L15 VanDerWaalsContact C-N 3.34Å; I13-L15 PolarHBondContact O-N 3.35Å; L15-I18 PolarHBondContact O-N 2.97Å; L15-G19 PolarHBondContact O-N 3.04Å
16	L	73.4	Confident	66	Low	104 Å²	104	103.1 Å²	103.1	55%	0.545	54%	0.539	S	S	.	.	H	α-helix	trans	-63.5	-43.1	173	-79.5	164.3	0	0	0	111.2	M12 I13 G19 M20	M12-L16 HydrophobicContact CB-CD1 4.45Å; M12-L16 WeakPolarHBondContact O-CB 3.22Å; M12-L16 PolarHBondContact O-N 3.25Å; I13-L16 PolarHBondContact O-N 3.23Å; L16-G19 PolarHBondContact O-N 2.91Å; L16-M20 VanDerWaalsContact O-CB 3.28Å; L16-M20 WeakPolarHBondContact O-CB 3.4Å; L16-M20 VanDerWaalsContact O-CG 3.23Å; L16-M20 WeakPolarHBondContact O-CG 3.39Å; L16-M20 PolarHBondContact O-N 2.82Å
17	A	69.7	Low	67	Low	42 Å²	42	98.3 Å²	98.3	35%	0.347	52%	0.519	S	S	.	.	H	α-helix	trans	-65.1	-41.5	177	0	0	0	0	0	111.8	I13 P14 N21	I13-A17 VanDerWaalsContact O-CB 3.3Å; I13-A17 WeakPolarHBondContact O-CB 3.49Å; I13-A17 PolarHBondContact O-N 2.98Å; P14-A17 PolarHBondContact O-N 2.87Å; A17-N21 VanDerWaalsContact O-CB 3.28Å; A17-N21 WeakPolarHBondContact O-CB 3.5Å; A17-N21 PolarHBondContact O-N 3.11Å; A17-N21 PolarHBondContact O-ND2 2.83Å
18	I	73.7	Confident	67.7	Low	110 Å²	110	98 Å²	98	56%	0.564	52%	0.517	S	S	*	.	H	α-helix	trans	-63.8	-47.3	174	-70.5	163.9	0	0	0	109.9	P14 L15 M20 N21 F22	P14-I18 WeakPolarHBondContact O-CB 3.24Å; P14-I18 WeakPolarHBondContact O-CD1 3.02Å; P14-I18 WeakPolarHBondContact O-CG1 3.5Å; P14-I18 PolarHBondContact O-N 3.27Å; L15-I18 PolarHBondContact O-N 2.97Å; I18-M20 PolarHBondContact O-N 3.29Å; I18-N21 PolarHBondContact O-N 3.01Å; I18-F22 VanDerWaalsContact O-CB 3.26Å; I18-F22 WeakPolarHBondContact O-CB 3.39Å; I18-F22 PolarHBondContact O-N 2.83Å
19	G	70.6	Confident	68.5	Low	38 Å²	38	95.9 Å²	95.9	39%	0.392	50%	0.499	S	S	.	.	H	α-helix	trans	-61.3	-42.9	177.4	0	0	0	0	0	112.7	L15 L16 F22 Y23	L15-G19 PolarHBondContact O-N 3.04Å; L16-G19 PolarHBondContact O-N 2.91Å; G19-F22 PolarHBondContact O-N 2.9Å; G19-Y23 VanDerWaalsContact O-CB 3.25Å; G19-Y23 WeakPolarHBondContact O-CB 3.13Å; G19-Y23 PolarHBondContact O-N 2.89Å
20	M	71	Confident	69.6	Low	108 Å²	108	93.1 Å²	93.1	53%	0.532	49%	0.489	S	S	.	.	H	α-helix	trans	-66.8	-40.1	174.8	-75	179.6	70.3	0	0	112.1	L16 I18 R24	L16-M20 VanDerWaalsContact O-CB 3.28Å; L16-M20 WeakPolarHBondContact O-CB 3.4Å; L16-M20 VanDerWaalsContact O-CG 3.23Å; L16-M20 WeakPolarHBondContact O-CG 3.39Å; L16-M20 PolarHBondContact O-N 2.82Å; I18-M20 PolarHBondContact O-N 3.29Å; M20-R24 WeakPolarHBondContact O-CB 3.48Å; M20-R24 VanDerWaalsContact O-CG 3.26Å; M20-R24 WeakPolarHBondContact O-CG 3.46Å; M20-R24 PolarHBondContact O-N 2.92Å
21	N	66.8	Low	70.6	Confident	107 Å²	107	91 Å²	91	57%	0.572	48%	0.476	S	S	*	.	H	α-helix	trans	-68	-40.4	175.5	-85.2	-68.6	0	0	0	111.5	A17 I18 R24 Y25	A17-N21 VanDerWaalsContact O-CB 3.28Å; A17-N21 WeakPolarHBondContact O-CB 3.5Å; A17-N21 PolarHBondContact O-N 3.11Å; A17-N21 PolarHBondContact O-ND2 2.83Å; I18-N21 PolarHBondContact O-N 3.01Å; N21-R24 PolarHBondContact O-N 2.86Å; N21-Y25 WeakPolarHBondContact O-CB 3.33Å; N21-Y25 PolarHBondContact O-N 2.91Å
22	F	72	Confident	71.6	Confident	125 Å²	125	90.8 Å²	90.8	55%	0.548	46%	0.464	S	S	.	.	H	α-helix	trans	-65.6	-45.3	175.6	-175.2	-99.2	0	0	0	111.2	I18 G19 Y25 Q26	I18-F22 VanDerWaalsContact O-CB 3.26Å; I18-F22 WeakPolarHBondContact O-CB 3.39Å; I18-F22 PolarHBondContact O-N 2.83Å; G19-F22 PolarHBondContact O-N 2.9Å; F22-Y25 PolarHBondContact O-N 3.11Å; F22-Q26 HydrophobicContact CD1-CG 4.43Å; F22-Q26 VanDerWaalsContact CE1-CD 3.44Å; F22-Q26 HydrophobicContact CE1-CG 4.16Å; F22-Q26 HydrophobicContact CZ-CG 4.33Å; F22-Q26 WeakPolarHBondContact O-CB 3.31Å; F22-Q26 WeakPolarHBondContact O-CG 3.44Å; F22-Q26 PolarHBondContact O-N 2.8Å
23	Y	66.9	Low	72.4	Confident	166 Å²	166	90.1 Å²	90.1	65%	0.651	46%	0.459	S	S	*	.	H	α-helix	trans	-62.7	-45.2	174.4	-177.6	-97.6	0	0	0	111.8	G19 Q26 S27	G19-Y23 VanDerWaalsContact O-CB 3.25Å; G19-Y23 WeakPolarHBondContact O-CB 3.13Å; G19-Y23 PolarHBondContact O-N 2.89Å; Y23-Q26 PolarHBondContact O-N 3.41Å; Y23-S27 WeakPolarHBondContact O-CB 3.4Å; Y23-S27 PolarHBondContact O-N 3.07Å
24	R	65.9	Low	73.3	Confident	159 Å²	159	86.3 Å²	86.3	60%	0.6	44%	0.44	S	S	*	.	H	α-helix	trans	-60.5	-47.6	174.3	-81.2	-176.3	178.7	-171.6	1.3	110.8	M20 N21 Q26 S27 V28	M20-R24 WeakPolarHBondContact O-CB 3.48Å; M20-R24 VanDerWaalsContact O-CG 3.26Å; M20-R24 WeakPolarHBondContact O-CG 3.46Å; M20-R24 PolarHBondContact O-N 2.92Å; N21-R24 PolarHBondContact O-N 2.86Å; R24-Q26 PolarHBondContact O-N 3.09Å; R24-S27 WeakPolarHBondContact CA-OG 3.33Å; R24-S27 CarbonylContact O-C 2.97Å; R24-S27 WeakPolarHBondContact O-CA 3.15Å; R24-S27 PolarHBondContact O-N 2.88Å; R24-S27 PolarHBondContact O-OG 3.16Å; R24-V28 VanDerWaalsContact O-CG2 3.26Å; R24-V28 WeakPolarHBondContact O-CG2 3.39Å; R24-V28 PolarHBondContact O-N 2.66Å
25	Y	67.5	Low	73.9	Confident	140 Å²	140	88 Å²	88	55%	0.549	44%	0.441	S	S	.	.	H	α-helix	trans	-56.7	-49.9	177.6	-179.3	-99.2	0	0	0	110.7	N21 F22 S27 V28 D29	N21-Y25 WeakPolarHBondContact O-CB 3.33Å; N21-Y25 PolarHBondContact O-N 2.91Å; F22-Y25 PolarHBondContact O-N 3.11Å; Y25-S27 VanDerWaalsContact C-N 3.27Å; Y25-S27 PolarHBondContact O-N 2.93Å; Y25-V28 PolarHBondContact O-N 3.08Å; Y25-V28 VanDerWaalsContact O-N 3.13Å; Y25-D29 HydrophobicContact CD1-CB 4.48Å; Y25-D29 HydrophobicContact CE1-CB 4.24Å; Y25-D29 WeakPolarHBondContact O-CA 3.27Å; Y25-D29 WeakPolarHBondContact O-CB 3.11Å; Y25-D29 PolarHBondContact O-N 2.92Å
26	Q	69.2	Low	74.6	Confident	80 Å²	80	86.3 Å²	86.3	37%	0.374	43%	0.43	S	S	.	.	H	α-helix	trans	-59.4	-37.8	173.7	-73.4	-169.8	-23	0	0	112.5	F22 Y23 R24 V28 N32 R251	F22-Q26 HydrophobicContact CD1-CG 4.43Å; F22-Q26 VanDerWaalsContact CE1-CD 3.44Å; F22-Q26 HydrophobicContact CE1-CG 4.16Å; F22-Q26 HydrophobicContact CZ-CG 4.33Å; F22-Q26 WeakPolarHBondContact O-CB 3.31Å; F22-Q26 WeakPolarHBondContact O-CG 3.44Å; F22-Q26 PolarHBondContact O-N 2.8Å; Y23-Q26 PolarHBondContact O-N 3.41Å; R24-Q26 PolarHBondContact O-N 3.09Å; Q26-V28 VanDerWaalsContact C-N 3.34Å; Q26-V28 PolarHBondContact O-N 3.48Å; Q26-N32 WeakPolarHBondContact CA-ND2 3.17Å; Q26-N32 WeakPolarHBondContact CB-ND2 3.21Å; Q26-N32 PolarHBondContact O-ND2 2.69Å; Q26-R251 PolarHBondContact O-NH2 2.85Å; Q26-R251 VanDerWaalsContact O-NH2 3.07Å
27	S	67.1	Low	75.1	Confident	36 Å²	36	82.9 Å²	82.9	25%	0.252	41%	0.414	S	S	.	.	H	α-helix	trans	-70.6	-28.3	178.3	76.5	0	0	0	0	113.4	Y23 R24 Y25 R251 Q252	Y23-S27 WeakPolarHBondContact O-CB 3.4Å; Y23-S27 PolarHBondContact O-N 3.07Å; R24-S27 WeakPolarHBondContact CA-OG 3.33Å; R24-S27 CarbonylContact O-C 2.97Å; R24-S27 WeakPolarHBondContact O-CA 3.15Å; R24-S27 PolarHBondContact O-N 2.88Å; R24-S27 PolarHBondContact O-OG 3.16Å; Y25-S27 VanDerWaalsContact C-N 3.27Å; Y25-S27 PolarHBondContact O-N 2.93Å; S27-R251 PolarHBondContact O-NH2 3.45Å; S27-Q252 PolarHBondContact O-NE2 2.98Å; S27-Q252 VanDerWaalsContact O-NE2 3.09Å
28	V	66.6	Low	75.7	Confident	101 Å²	101	88 Å²	88	61%	0.612	44%	0.441	S	S	*	.	H	α-helix	trans	-108.8	-13.2	-175.8	-59	0	0	0	0	115.4	R24 Y25 Q26 P30	R24-V28 VanDerWaalsContact O-CG2 3.26Å; R24-V28 WeakPolarHBondContact O-CG2 3.39Å; R24-V28 PolarHBondContact O-N 2.66Å; Y25-V28 PolarHBondContact O-N 3.08Å; Y25-V28 VanDerWaalsContact O-N 3.13Å; Q26-V28 VanDerWaalsContact C-N 3.34Å; Q26-V28 PolarHBondContact O-N 3.48Å; V28-P30 WeakPolarHBondContact O-CD 3.23Å
29	D	74.1	Confident	76.4	Confident	30 Å²	30	88.1 Å²	88.1	16%	0.16	45%	0.447	C	S	.	.			trans	-61	118.3	-178.2	172.3	13.5	0	0	0	109.6	Y25 E31 N32 R251	Y25-D29 HydrophobicContact CD1-CB 4.48Å; Y25-D29 HydrophobicContact CE1-CB 4.24Å; Y25-D29 WeakPolarHBondContact O-CA 3.27Å; Y25-D29 WeakPolarHBondContact O-CB 3.11Å; Y25-D29 PolarHBondContact O-N 2.92Å; D29-E31 PolarHBondContact O-N 2.55Å; D29-E31 PolarHBondContact OD1-N 3.03Å; D29-N32 HydrophobicContact CB-CB 4Å; D29-N32 PolarHBondContact O-N 3.39Å; D29-R251 PolarHBondContact O-NE 2.75Å; D29-R251 VanDerWaalsContact O-NE 3.1Å; D29-R251 PolarHBondContact O-NH2 2.99Å
30	P	76.1	Confident	77.4	Confident	74 Å²	74	88.5 Å²	88.5	48%	0.481	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-13.1	-179.5	29.2	-36.6	0	0	0	113.1	V28 R248	V28-P30 WeakPolarHBondContact O-CD 3.23Å; P30-R248 CarbonylContact O-C 3.56Å; P30-R248 WeakPolarHBondContact O-CB 3.35Å; P30-R248 VanDerWaalsContact O-O 3.11Å
31	E	80.6	Confident	78.6	Confident	62 Å²	62	87.6 Å²	87.6	29%	0.29	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-0.4	176.8	-62.5	-165.5	165.7	0	0	113.6	D29 R235 R236 R248	D29-E31 PolarHBondContact O-N 2.55Å; D29-E31 PolarHBondContact OD1-N 3.03Å; E31-R235 IonicContact OE1-NH1 3.92Å; E31-R235 PolarHBondContact OE1-NH1 3.46Å; E31-R236 VanDerWaalsContact CD-NH2 3.27Å; E31-R236 IonicContact OE1-CZ 3Å; E31-R236 IonicContact OE1-NH1 3.25Å; E31-R236 PolarHBondContact OE1-NH1 3.47Å; E31-R236 IonicContact OE1-NH2 3.65Å; E31-R236 PolarHBondContact OE1-NH2 3Å; E31-R236 IonicContact OE2-CZ 3.66Å; E31-R236 IonicContact OE2-NH1 3.89Å; E31-R236 IonicContact OE2-NH2 2.92Å; E31-R236 PolarHBondContact OE2-NH2 3.26Å; E31-R248 WeakPolarHBondContact O-CD 3.5Å; E31-R248 PolarHBondContact O-NH1 3.13Å
32	N	85.1	Confident	80	Confident	44 Å²	44	93.1 Å²	93.1	24%	0.235	44%	0.443	C	S	.	.	S	Bend	trans	-78.8	165.9	177.5	-158	2	0	0	0	112.6	Q26 D29 R251	Q26-N32 WeakPolarHBondContact CA-ND2 3.17Å; Q26-N32 WeakPolarHBondContact CB-ND2 3.21Å; Q26-N32 PolarHBondContact O-ND2 2.69Å; D29-N32 HydrophobicContact CB-CB 4Å; D29-N32 PolarHBondContact O-N 3.39Å; N32-R251 WeakPolarHBondContact O-CD 3.44Å
33	K	87.3	Confident	81.2	Confident	85 Å²	85	91.6 Å²	91.6	37%	0.37	44%	0.438	S	S	.	.	P	Polyproline II helix	trans	-56.7	153	-179.6	-66.7	-169.1	-179.9	-172.2	0	112.9	D78 E79 R251	K33-D78 WeakPolarHBondContact CA-OD2 3.14Å; K33-D78 VanDerWaalsContact CB-OD2 3.23Å; K33-D78 WeakPolarHBondContact CB-OD2 3.29Å; K33-D78 HydrophobicContact CD-CB 4.38Å; K33-D78 WeakPolarHBondContact CG-OD2 3.4Å; K33-E79 WeakPolarHBondContact CE-O 3.48Å; K33-E79 PolarHBondContact NZ-O 3.35Å; K33-R251 WeakPolarHBondContact O-CD 3.49Å; K33-R251 PolarHBondContact O-NH1 3.29Å
34	V	89.6	Confident	82.7	Confident	16 Å²	16	83.7 Å²	83.7	10%	0.097	41%	0.407	C	S	.	.	P	Polyproline II helix	trans	-66	144.9	175.8	-65.7	0	0	0	0	110.3	D78 L128 I247 R251 V258 L260	V34-D78 PolarHBondContact N-OD2 2.95Å; V34-L128 HydrophobicContact CB-CD2 4.45Å; V34-L128 HydrophobicContact CG1-CD2 3.69Å; V34-L128 HydrophobicContact CG2-CD2 3.86Å; V34-I247 HydrophobicContact CG1-CG2 3.58Å; V34-R251 HydrophobicContact CG1-CB 4.28Å; V34-V258 HydrophobicContact CB-CB 4.49Å; V34-V258 HydrophobicContact CG1-CG2 4.43Å; V34-V258 HydrophobicContact CG2-CG1 4.16Å; V34-L260 HydrophobicContact CG2-CD1 3.94Å; V34-L260 HydrophobicContact CG2-CD2 4.45Å; V34-L260 HydrophobicContact CG2-CG 4.35Å
35	Q	85.5	Confident	84.3	Confident	109 Å²	109	76.3 Å²	76.3	51%	0.509	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-96.7	117.2	171.7	-69.8	173.8	6.4	0	0	107.5
36	E	87.3	Confident	85.8	Confident	77 Å²	77	69.6 Å²	69.6	36%	0.36	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-64.6	137.4	173.2	-65.8	-165	96	0	0	109.6	L260 R282	E36-L260 HydrophobicContact CG-CG 4.37Å; E36-L260 PolarHBondContact OE1-N 3.49Å; E36-R282 IonicContact OE1-CZ 2.69Å; E36-R282 IonicContact OE1-NE 3.35Å; E36-R282 IonicContact OE1-NH2 3.7Å; E36-R282 PolarHBondContact OE1-NH2 3.43Å; E36-R282 IonicContact OE2-NH2 3.51Å; E36-R282 PolarHBondContact OE2-NH2 2.97Å
37	P	85.3	Confident	87.2	Confident	31 Å²	31	65.8 Å²	65.8	20%	0.201	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-67.4	141.9	-179.3	30.3	-37.7	0	0	0	110.6	V39 I40 D257 V258	P37-V39 VanDerWaalsContact C-N 3.32Å; P37-I40 HydrophobicContact CB-CD1 4.38Å; P37-I40 HydrophobicContact CG-CD1 3.32Å; P37-I40 HydrophobicContact CG-CG1 4.12Å; P37-D257 HydrophobicContact CG-CB 4.08Å; P37-V258 WeakPolarHBondContact CD-O 3.46Å
38	T	82.3	Confident	88.7	Confident	149 Å²	149	64.1 Å²	64.1	91%	0.914	32%	0.323	S	S	*	.	S	Bend	trans	-70.3	-30.9	174.5	50	0	0	0	0	112.4
39	V	86.9	Confident	90.3	Very high	114 Å²	114	59.6 Å²	59.6	69%	0.691	30%	0.296	S	S	*	.	S	Bend	trans	-132	122.6	178.7	-177.8	0	0	0	0	109.3	P37	P37-V39 VanDerWaalsContact C-N 3.32Å
40	I	91.7	Very high	91.4	Very high	45 Å²	45	58.6 Å²	58.6	23%	0.231	29%	0.292	C	S	.	.			trans	-88.8	135.6	172.8	-68.1	-73.3	0	0	0	109.3	P37 Y44 L71 L259	P37-I40 HydrophobicContact CB-CD1 4.38Å; P37-I40 HydrophobicContact CG-CD1 3.32Å; P37-I40 HydrophobicContact CG-CG1 4.12Å; I40-Y44 HydrophobicContact CG2-CE2 4Å; I40-L71 HydrophobicContact CD1-CD1 3.96Å; I40-L259 HydrophobicContact CD1-CD1 3.94Å; I40-L259 HydrophobicContact CD1-CD2 4.25Å; I40-L259 HydrophobicContact CD1-CG 4.5Å; I40-L259 HydrophobicContact CG1-CD1 4.22Å; I40-L259 HydrophobicContact CG1-CD2 4.42Å
41	R	96.5	Very high	92.5	Very high	89 Å²	89	55.1 Å²	55.1	34%	0.336	27%	0.27	S	S	.	.			trans	-67.6	143.5	175.3	-56.3	171.1	171.8	85.1	-4.7	109	Q43 Y44 K254 D257	R41-Q43 PolarHBondContact O-N 3.45Å; R41-Y44 HydrophobicContact CB-CD2 4.2Å; R41-Y44 HydrophobicContact CB-CE1 4.22Å; R41-Y44 HydrophobicContact CB-CE2 3.61Å; R41-Y44 HydrophobicContact CG-CE1 4.2Å; R41-Y44 HydrophobicContact CG-CE2 4.41Å; R41-Y44 PolarHBondContact N-OH 2.66Å; R41-Y44 WeakPolarHBondContact O-CE2 3.43Å; R41-K254 PolarHBondContact NH2-O 2.98Å; R41-D257 IonicContact CZ-OD2 3.65Å; R41-D257 VanDerWaalsContact NH1-CG 3.34Å; R41-D257 IonicContact NH1-OD1 2.67Å; R41-D257 PolarHBondContact NH1-OD1 2.92Å; R41-D257 IonicContact NH1-OD2 3.11Å; R41-D257 PolarHBondContact NH1-OD2 2.94Å
42	R	96	Very high	93.4	Very high	223 Å²	223	52.8 Å²	52.8	84%	0.842	26%	0.262	S	S	*	.	S	Bend	trans	-64.4	-26.8	174.4	-69.9	-173.8	176.2	-175.3	-0.7	112.6	F290	R42-F290 PolarHBondContact O-N 3.34Å
43	Q	98.2	Very high	94	Very high	93 Å²	93	51.3 Å²	51.3	44%	0.435	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	137.8	-176.7	-167	-178.7	51.2	0	0	110.8	R41 F290 R292	R41-Q43 PolarHBondContact O-N 3.45Å; Q43-F290 VanDerWaalsContact CA-O 3.28Å; Q43-F290 WeakPolarHBondContact CA-O 3.21Å; Q43-F290 HydrophobicContact CB-CB 4.1Å; Q43-F290 HydrophobicContact CG-CB 3.83Å; Q43-R292 HydrophobicContact CG-CG 3.66Å
44	Y	98.7	Very high	94.6	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	162.5	174.7	-70.5	-99.9	0	0	0	110.9	I40 R41 T69 L71 D257 V289 F290 V291 R292	I40-Y44 HydrophobicContact CG2-CE2 4Å; R41-Y44 HydrophobicContact CB-CD2 4.2Å; R41-Y44 HydrophobicContact CB-CE1 4.22Å; R41-Y44 HydrophobicContact CB-CE2 3.61Å; R41-Y44 HydrophobicContact CG-CE1 4.2Å; R41-Y44 HydrophobicContact CG-CE2 4.41Å; R41-Y44 PolarHBondContact N-OH 2.66Å; R41-Y44 WeakPolarHBondContact O-CE2 3.43Å; Y44-T69 WeakPolarHBondContact CA-OG1 3.17Å; Y44-L71 HydrophobicContact CD1-CB 3.68Å; Y44-L71 HydrophobicContact CD2-CB 3.82Å; Y44-L71 HydrophobicContact CD2-CD2 3.97Å; Y44-L71 HydrophobicContact CE1-CB 3.77Å; Y44-L71 HydrophobicContact CE2-CB 3.91Å; Y44-L71 HydrophobicContact CE2-CD1 4.49Å; Y44-L71 HydrophobicContact CE2-CD2 3.71Å; Y44-L71 HydrophobicContact CE2-CG 4.26Å; Y44-L71 HydrophobicContact CG-CB 3.71Å; Y44-D257 HydrophobicContact CE1-CB 4.16Å; Y44-D257 WeakPolarHBondContact CE1-OD2 3.42Å; Y44-D257 PolarHBondContact OH-OD2 2.85Å; Y44-V289 HydrophobicContact CD2-CG2 3.55Å; Y44-V289 HydrophobicContact CE2-CG2 3.85Å; Y44-F290 PolarHBondContact N-O 2.88Å; Y44-V291 CarbonylContact O-C 3.54Å; Y44-V291 WeakPolarHBondContact O-CA 3.28Å; Y44-R292 PolarHBondContact O-N 3.22Å
45	D	98.7	Very high	95	Very high	4 Å²	4	46.6 Å²	46.6	2%	0.021	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	-48.9	167.3	-67.5	-69	0	0	0	110.7	W68 T69 V291 R292 R293 E294	D45-W68 HydrophobicContact CB-CB 4.32Å; D45-W68 VanDerWaalsContact OD2-CA 3.31Å; D45-W68 WeakPolarHBondContact OD2-CA 3.3Å; D45-T69 WeakPolarHBondContact CB-O 3.28Å; D45-T69 PolarHBondContact N-O 2.93Å; D45-T69 PolarHBondContact N-OG1 3.22Å; D45-T69 PolarHBondContact OD2-N 3.35Å; D45-T69 PolarHBondContact OD2-OG1 3.46Å; D45-V291 VanDerWaalsContact O-CG2 3.27Å; D45-V291 WeakPolarHBondContact O-CG2 3.3Å; D45-R292 IonicContact OD1-CZ 3.25Å; D45-R292 VanDerWaalsContact OD1-CZ 3.25Å; D45-R292 IonicContact OD1-NE 3.13Å; D45-R292 PolarHBondContact OD1-NE 2.55Å; D45-R292 IonicContact OD1-NH2 2.98Å; D45-R292 PolarHBondContact OD1-NH2 3.2Å; D45-R292 IonicContact OD2-CZ 3.12Å; D45-R292 IonicContact OD2-NE 3.55Å; D45-R292 IonicContact OD2-NH2 3.87Å; D45-R292 PolarHBondContact OD2-NH2 2.93Å; D45-R293 HydrophobicContact CB-CG 4.19Å; D45-R293 WeakPolarHBondContact O-CA 3.47Å; D45-R293 WeakPolarHBondContact O-CB 3.45Å; D45-R293 PolarHBondContact O-N 2.61Å; D45-R293 IonicContact OD1-NE 3.77Å; D45-R293 PolarHBondContact OD1-NE 2.78Å; D45-E294 PolarHBondContact O-N 3.27Å
46	F	98.9	Very high	95.6	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	136.9	-179	-60.3	-83.9	0	0	0	110.7	L62 W68 T69 V70 L71 R293 E294 I296 I600 W604	F46-L62 HydrophobicContact CB-CD1 4.01Å; F46-L62 HydrophobicContact CD1-CD1 3.99Å; F46-L62 HydrophobicContact CD2-CD1 4.16Å; F46-L62 HydrophobicContact CG-CD1 3.78Å; F46-W68 HydrophobicContact CD2-CD2 4.36Å; F46-W68 HydrophobicContact CD2-CE3 4.11Å; F46-W68 HydrophobicContact CE2-CB 4.46Å; F46-W68 AromaticContact CE2-CD2 3.56Å; F46-W68 HydrophobicContact CE2-CD2 3.56Å; F46-W68 AromaticContact CE2-CE3 3.4Å; F46-W68 HydrophobicContact CE2-CE3 3.4Å; F46-W68 HydrophobicContact CE2-CG 4.06Å; F46-W68 HydrophobicContact CE2-CH2 4.08Å; F46-W68 HydrophobicContact CE2-CZ2 4.28Å; F46-W68 AromaticContact CE2-CZ3 3.69Å; F46-W68 HydrophobicContact CE2-CZ3 3.69Å; F46-W68 HydrophobicContact CZ-CD2 4.45Å; F46-W68 HydrophobicContact CZ-CE3 4.18Å; F46-W68 HydrophobicContact CZ-CH2 4.08Å; F46-W68 HydrophobicContact CZ-CZ2 4.42Å; F46-W68 AromaticContact CZ-CZ3 4Å; F46-W68 HydrophobicContact CZ-CZ3 4Å; F46-T69 PolarHBondContact N-O 2.85Å; F46-T69 VanDerWaalsContact N-O 3.13Å; F46-V70 WeakPolarHBondContact O-CA 3.44Å; F46-L71 PolarHBondContact O-N 2.9Å; F46-R293 HydrophobicContact CD1-CB 4.27Å; F46-R293 HydrophobicContact CE1-CB 3.81Å; F46-R293 HydrophobicContact CE2-CB 4.42Å; F46-R293 HydrophobicContact CZ-CB 3.9Å; F46-R293 VanDerWaalsContact CZ-CD 3.46Å; F46-R293 HydrophobicContact CZ-CG 4.33Å; F46-E294 WeakPolarHBondContact CA-O 3.39Å; F46-E294 HydrophobicContact CD1-CB 4.02Å; F46-E294 HydrophobicContact CE1-CB 4.05Å; F46-E294 HydrophobicContact CE1-CG 4.29Å; F46-I296 HydrophobicContact CD1-CD1 4.49Å; F46-I600 HydrophobicContact CD1-CG2 4.39Å; F46-I600 HydrophobicContact CE1-CG2 3.5Å; F46-I600 HydrophobicContact CZ-CG2 3.69Å; F46-W604 AromaticContact CZ-CD1 3.84Å; F46-W604 HydrophobicContact CZ-CG 4.24Å
47	V	98.9	Very high	96.2	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	113.6	167.8	-179.4	0	0	0	0	107.4	I49 L71 L73 V278 V289 V291 E294 V295 I296	V47-I49 HydrophobicContact CG1-CG1 4.41Å; V47-L71 CarbonylContact C-O 3.56Å; V47-L71 WeakPolarHBondContact CA-O 3.33Å; V47-L71 HydrophobicContact CG2-CB 4.48Å; V47-L73 HydrophobicContact CG1-CD1 3.81Å; V47-L73 HydrophobicContact CG1-CG 4.11Å; V47-V278 HydrophobicContact CB-CG2 4.21Å; V47-V278 HydrophobicContact CG1-CB 4.34Å; V47-V278 HydrophobicContact CG1-CG2 3.88Å; V47-V289 HydrophobicContact CG1-CG1 4.36Å; V47-V289 HydrophobicContact CG2-CG1 4.18Å; V47-V289 HydrophobicContact CG2-CG2 4.49Å; V47-V291 HydrophobicContact CG2-CB 4.3Å; V47-V291 HydrophobicContact CG2-CG2 4.2Å; V47-E294 PolarHBondContact N-O 3.26Å; V47-V295 WeakPolarHBondContact O-CA 3.34Å; V47-I296 PolarHBondContact O-N 3.5Å
48	V	98.9	Very high	96.8	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	127	174.9	-174.4	0	0	0	0	108.2	V58 A59 V70 L71 L72 L73 I296	V48-V58 HydrophobicContact CG2-CG1 4.14Å; V48-A59 HydrophobicContact CG2-CB 4.34Å; V48-V70 HydrophobicContact CG2-CG1 4.21Å; V48-L71 PolarHBondContact N-O 2.89Å; V48-L72 HydrophobicContact CB-CD1 3.85Å; V48-L72 HydrophobicContact CG1-CD1 3.74Å; V48-L72 WeakPolarHBondContact O-CA 3.47Å; V48-L73 PolarHBondContact O-N 3.2Å; V48-I296 HydrophobicContact CB-CB 4.48Å; V48-I296 HydrophobicContact CG1-CB 4.39Å; V48-I296 HydrophobicContact CG2-CB 4.18Å; V48-I296 HydrophobicContact CG2-CG1 4.23Å
49	I	98.9	Very high	97.6	Very high	7 Å²	7	29.2 Å²	29.2	4%	0.036	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	114.3	-178.4	-59.7	172.8	0	0	0	108.6	V47 A264 I267 V278 V295 I296 S298 A299 L307	V47-I49 HydrophobicContact CG1-CG1 4.41Å; I49-A264 HydrophobicContact CB-CB 4.36Å; I49-A264 HydrophobicContact CD1-CB 3.85Å; I49-A264 HydrophobicContact CG1-CB 4.05Å; I49-A264 HydrophobicContact CG2-CB 3.42Å; I49-A264 VanDerWaalsContact CG2-CB 3.42Å; I49-I267 HydrophobicContact CD1-CG1 4.43Å; I49-V278 HydrophobicContact CD1-CG1 3.77Å; I49-V278 HydrophobicContact CD1-CG2 3.96Å; I49-V278 HydrophobicContact CG1-CG1 4.34Å; I49-V295 HydrophobicContact CD1-CG1 3.53Å; I49-V295 HydrophobicContact CG1-CG1 4.19Å; I49-I296 PolarHBondContact N-O 2.96Å; I49-S298 CarbonylContact O-C 3.44Å; I49-S298 WeakPolarHBondContact O-CA 3.25Å; I49-S298 WeakPolarHBondContact O-CB 3.42Å; I49-S298 PolarHBondContact O-N 3.05Å; I49-A299 HydrophobicContact CG2-CB 4.33Å; I49-A299 PolarHBondContact O-N 2.97Å; I49-A299 VanDerWaalsContact O-N 3.12Å; I49-L307 HydrophobicContact CD1-CD2 3.62Å; I49-L307 HydrophobicContact CG2-CD2 4Å
50	G	98.8	Very high	98.2	Very high	9 Å²	9	23.8 Å²	23.8	9%	0.093	11%	0.107	C	C	.	.			trans	94.8	114.5	-178.4	0	0	0	0	0	112.1	G52 G55 L73	G50-G52 PolarHBondContact O-N 3.44Å; G50-G55 WeakPolarHBondContact O-CA 3Å; G50-L73 WeakPolarHBondContact CA-O 3.18Å; G50-L73 PolarHBondContact N-O 3.02Å
51	G	98.5	Very high	98.5	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	10%	0.1	C	C	.	.			trans	-84.2	27.1	176.1	0	0	0	0	0	113.7	E74 G129	G51-E74 WeakPolarHBondContact CA-OE2 3.47Å; G51-E74 PolarHBondContact N-OE2 3.27Å; G51-G129 CarbonylContact O-C 3.47Å; G51-G129 WeakPolarHBondContact O-CA 3.34Å; G51-G129 PolarHBondContact O-N 2.88Å
52	G	98.6	Very high	98.6	Very high	13 Å²	13	18.4 Å²	18.4	13%	0.134	8%	0.084	C	C	.	.	S	Bend	trans	-75.2	-164.9	177.5	0	0	0	0	0	113.6	G50 A54 G55 A56	G50-G52 PolarHBondContact O-N 3.44Å; G52-A54 VanDerWaalsContact C-N 3.33Å; G52-A54 PolarHBondContact O-N 3.23Å; G52-G55 PolarHBondContact O-N 3.42Å; G52-A56 WeakPolarHBondContact O-CB 3.14Å; G52-A56 PolarHBondContact O-N 2.91Å
53	S	98.7	Very high	98.7	Very high	13 Å²	13	7.9 Å²	7.9	9%	0.091	4%	0.044	C	C	.	.	H	α-helix	trans	-55.6	-42.3	-169.5	-49.8	0	0	0	0	114.6	V57 T242 N586	S53-V57 VanDerWaalsContact O-CG2 3.29Å; S53-V57 WeakPolarHBondContact O-CG2 3.38Å; S53-T242 WeakPolarHBondContact CA-OG1 3.26Å; S53-N586 WeakPolarHBondContact CB-OD1 3.38Å; S53-N586 PolarHBondContact OG-OD1 2.77Å
54	A	98.9	Very high	98.7	Very high	3 Å²	3	6.7 Å²	6.7	3%	0.025	4%	0.039	C	C	.	.	H	α-helix	trans	-84.4	-45.3	177.2	0	0	0	0	0	112.7	G52 A56 V57 V58 V572 D573 V589	G52-A54 VanDerWaalsContact C-N 3.33Å; G52-A54 PolarHBondContact O-N 3.23Å; A54-A56 VanDerWaalsContact C-N 3.29Å; A54-A56 PolarHBondContact O-N 3.13Å; A54-V57 WeakPolarHBondContact O-CB 3.4Å; A54-V57 PolarHBondContact O-N 3.13Å; A54-V57 VanDerWaalsContact O-N 3.1Å; A54-V58 WeakPolarHBondContact O-CG2 3.45Å; A54-V58 PolarHBondContact O-N 3.18Å; A54-V572 HydrophobicContact CB-CG1 4.16Å; A54-V572 WeakPolarHBondContact CB-O 3.46Å; A54-D573 HydrophobicContact CB-CB 4.48Å; A54-V589 HydrophobicContact CB-CG1 3.58Å
55	G	98.8	Very high	98.7	Very high	0 Å²	0	8 Å²	8	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-63.7	-33.9	-176.1	0	0	0	0	0	113.1	G50 G52 V57 V58 A59	G50-G55 WeakPolarHBondContact O-CA 3Å; G52-G55 PolarHBondContact O-N 3.42Å; G55-V57 PolarHBondContact O-N 3.23Å; G55-V58 PolarHBondContact O-N 3.43Å; G55-A59 VanDerWaalsContact O-CB 3.29Å; G55-A59 WeakPolarHBondContact O-CB 3.35Å; G55-A59 PolarHBondContact O-N 3.09Å
56	A	98.8	Very high	98.5	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-60.8	-44	172.7	0	0	0	0	0	112.2	G52 A54 N60 F246 I247	G52-A56 WeakPolarHBondContact O-CB 3.14Å; G52-A56 PolarHBondContact O-N 2.91Å; A54-A56 VanDerWaalsContact C-N 3.29Å; A54-A56 PolarHBondContact O-N 3.13Å; A56-N60 WeakPolarHBondContact O-CB 3.47Å; A56-N60 PolarHBondContact O-N 3.35Å; A56-F246 HydrophobicContact CB-CB 4.3Å; A56-I247 HydrophobicContact CB-CD1 4.02Å; A56-I247 HydrophobicContact CB-CG1 3.84Å; A56-I247 WeakPolarHBondContact O-CD1 3.33Å
57	V	98.9	Very high	98.4	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-64.6	-49	176.8	179.4	0	0	0	0	110.4	S53 A54 G55 A59 N60 R61 F246 I590 E594	S53-V57 VanDerWaalsContact O-CG2 3.29Å; S53-V57 WeakPolarHBondContact O-CG2 3.38Å; A54-V57 WeakPolarHBondContact O-CB 3.4Å; A54-V57 PolarHBondContact O-N 3.13Å; A54-V57 VanDerWaalsContact O-N 3.1Å; G55-V57 PolarHBondContact O-N 3.23Å; V57-A59 PolarHBondContact O-N 3.28Å; V57-N60 WeakPolarHBondContact O-CB 3.5Å; V57-N60 PolarHBondContact O-N 3.2Å; V57-R61 HydrophobicContact CG1-CG 4.12Å; V57-R61 WeakPolarHBondContact O-CG 3.48Å; V57-R61 PolarHBondContact O-N 2.9Å; V57-F246 HydrophobicContact CB-CD1 4.35Å; V57-F246 HydrophobicContact CB-CE1 4.47Å; V57-F246 HydrophobicContact CG1-CD1 4.41Å; V57-F246 HydrophobicContact CG1-CE1 4.24Å; V57-F246 HydrophobicContact CG2-CD1 3.89Å; V57-F246 HydrophobicContact CG2-CD2 3.87Å; V57-F246 HydrophobicContact CG2-CE1 3.81Å; V57-F246 HydrophobicContact CG2-CE2 3.82Å; V57-F246 HydrophobicContact CG2-CG 3.91Å; V57-F246 HydrophobicContact CG2-CZ 3.78Å; V57-I590 HydrophobicContact CG2-CB 4.5Å; V57-I590 HydrophobicContact CG2-CG2 3.93Å; V57-E594 HydrophobicContact CG1-CB 4.34Å; V57-E594 HydrophobicContact CG1-CG 3.73Å
58	V	98.9	Very high	98.4	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-60.6	-46.4	-179.4	176.6	0	0	0	0	111.1	V48 A54 G55 N60 R61 L62 I296 V572 A596 S597 I600	V48-V58 HydrophobicContact CG2-CG1 4.14Å; A54-V58 WeakPolarHBondContact O-CG2 3.45Å; A54-V58 PolarHBondContact O-N 3.18Å; G55-V58 PolarHBondContact O-N 3.43Å; V58-N60 VanDerWaalsContact C-N 3.32Å; V58-N60 PolarHBondContact O-N 3.02Å; V58-R61 PolarHBondContact O-N 3.27Å; V58-L62 HydrophobicContact CG1-CD1 3.5Å; V58-L62 VanDerWaalsContact CG1-CD1 3.5Å; V58-L62 HydrophobicContact CG1-CG 3.89Å; V58-L62 WeakPolarHBondContact O-CB 3.37Å; V58-L62 VanDerWaalsContact O-CG 3.25Å; V58-L62 WeakPolarHBondContact O-CG 3.27Å; V58-L62 PolarHBondContact O-N 3.01Å; V58-I296 HydrophobicContact CG1-CG1 4.26Å; V58-I296 HydrophobicContact CG1-CG2 4.06Å; V58-V572 HydrophobicContact CG2-CB 4.43Å; V58-V572 HydrophobicContact CG2-CG1 3.89Å; V58-A596 HydrophobicContact CG2-CB 4.41Å; V58-S597 WeakPolarHBondContact CA-OG 3.34Å; V58-I600 HydrophobicContact CG1-CD1 4.35Å
59	A	98.8	Very high	98.4	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-60.1	-42	177.3	0	0	0	0	0	112.2	V48 G55 V57 S63 V70 L72 I247 F256	V48-A59 HydrophobicContact CG2-CB 4.34Å; G55-A59 VanDerWaalsContact O-CB 3.29Å; G55-A59 WeakPolarHBondContact O-CB 3.35Å; G55-A59 PolarHBondContact O-N 3.09Å; V57-A59 PolarHBondContact O-N 3.28Å; A59-S63 WeakPolarHBondContact O-CB 3.29Å; A59-S63 PolarHBondContact O-N 3.4Å; A59-S63 PolarHBondContact O-OG 2.94Å; A59-V70 HydrophobicContact CB-CG1 4.45Å; A59-L72 HydrophobicContact CB-CB 4.32Å; A59-L72 HydrophobicContact CB-CD1 4.44Å; A59-L72 HydrophobicContact CB-CD2 4.28Å; A59-I247 HydrophobicContact CB-CD1 4.23Å; A59-F256 HydrophobicContact CB-CE2 3.76Å; A59-F256 HydrophobicContact CB-CZ 3.94Å
60	N	98.7	Very high	98.3	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-59.8	-55.2	172.7	176.4	-61.7	0	0	0	111.2	A56 V57 V58 L62 S63 E64 F246 V250 R253	A56-N60 WeakPolarHBondContact O-CB 3.47Å; A56-N60 PolarHBondContact O-N 3.35Å; V57-N60 WeakPolarHBondContact O-CB 3.5Å; V57-N60 PolarHBondContact O-N 3.2Å; V58-N60 VanDerWaalsContact C-N 3.32Å; V58-N60 PolarHBondContact O-N 3.02Å; N60-L62 PolarHBondContact O-N 3.29Å; N60-S63 PolarHBondContact O-N 2.88Å; N60-S63 PolarHBondContact O-OG 2.83Å; N60-E64 PolarHBondContact O-N 3.07Å; N60-F246 HydrophobicContact CB-CB 4.1Å; N60-F246 HydrophobicContact CB-CD1 4.49Å; N60-F246 WeakPolarHBondContact CB-O 3.27Å; N60-F246 PolarHBondContact ND2-O 3.19Å; N60-V250 HydrophobicContact CB-CG2 4.47Å; N60-V250 VanDerWaalsContact ND2-CG1 3.33Å; N60-V250 WeakPolarHBondContact ND2-CG1 3.43Å; N60-R253 PolarHBondContact O-NH1 2.86Å
61	R	98.6	Very high	98.3	Very high	22 Å²	22	26 Å²	26	8%	0.083	12%	0.124	C	C	.	.	H	α-helix	trans	-69.7	-37.6	-171.6	-64.3	-53.5	-173.2	-179.1	-2.7	112.6	V57 V58 S63 E64 E594 S597 K601	V57-R61 HydrophobicContact CG1-CG 4.12Å; V57-R61 WeakPolarHBondContact O-CG 3.48Å; V57-R61 PolarHBondContact O-N 2.9Å; V58-R61 PolarHBondContact O-N 3.27Å; R61-S63 VanDerWaalsContact C-N 3.34Å; R61-E64 VanDerWaalsContact CD-OE1 3.23Å; R61-E64 WeakPolarHBondContact CD-OE1 3.46Å; R61-E64 IonicContact CZ-OE1 2.69Å; R61-E64 IonicContact NE-OE1 3.86Å; R61-E64 IonicContact NH1-OE1 3.23Å; R61-E64 PolarHBondContact NH1-OE1 3.06Å; R61-E64 WeakPolarHBondContact O-CB 3.4Å; R61-E64 PolarHBondContact O-N 2.97Å; R61-E594 IonicContact CZ-OE1 2.68Å; R61-E594 IonicContact CZ-OE2 2.72Å; R61-E594 VanDerWaalsContact NE-CD 3.29Å; R61-E594 IonicContact NE-OE1 3.24Å; R61-E594 PolarHBondContact NE-OE1 3.21Å; R61-E594 IonicContact NE-OE2 3.89Å; R61-E594 PolarHBondContact NE-OE2 2.89Å; R61-E594 IonicContact NH2-OE1 3.63Å; R61-E594 PolarHBondContact NH2-OE1 2.72Å; R61-E594 IonicContact NH2-OE2 3.68Å; R61-S597 WeakPolarHBondContact CB-OG 3.31Å; R61-K601 WeakPolarHBondContact O-CE 3.46Å; R61-K601 PolarHBondContact O-NZ 3.16Å
62	L	98.7	Very high	98.3	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-67.7	-36	176.9	-63.7	-178.2	0	0	0	111.7	F46 V58 N60 E64 V65 W68 V70 I296 I600	F46-L62 HydrophobicContact CB-CD1 4.01Å; F46-L62 HydrophobicContact CD1-CD1 3.99Å; F46-L62 HydrophobicContact CD2-CD1 4.16Å; F46-L62 HydrophobicContact CG-CD1 3.78Å; V58-L62 HydrophobicContact CG1-CD1 3.5Å; V58-L62 VanDerWaalsContact CG1-CD1 3.5Å; V58-L62 HydrophobicContact CG1-CG 3.89Å; V58-L62 WeakPolarHBondContact O-CB 3.37Å; V58-L62 VanDerWaalsContact O-CG 3.25Å; V58-L62 WeakPolarHBondContact O-CG 3.27Å; V58-L62 PolarHBondContact O-N 3.01Å; N60-L62 PolarHBondContact O-N 3.29Å; L62-E64 PolarHBondContact O-N 3.39Å; L62-V65 PolarHBondContact O-N 2.65Å; L62-W68 HydrophobicContact CB-CE3 4.42Å; L62-W68 HydrophobicContact CD2-CE3 4.28Å; L62-W68 HydrophobicContact CD2-CZ3 3.73Å; L62-V70 HydrophobicContact CB-CG2 3.83Å; L62-I296 HydrophobicContact CD1-CG1 4.5Å; L62-I600 HydrophobicContact CD1-CD1 4.47Å; L62-I600 HydrophobicContact CD2-CB 4.06Å; L62-I600 HydrophobicContact CD2-CD1 4.49Å; L62-I600 HydrophobicContact CD2-CG2 3.61Å
63	S	98.2	Very high	98.4	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.007	12%	0.118	C	C	.	.	H	α-helix	trans	-72.5	-10.1	178.1	61.1	0	0	0	0	114.4	A59 N60 R61 V65 R253 N255	A59-S63 WeakPolarHBondContact O-CB 3.29Å; A59-S63 PolarHBondContact O-N 3.4Å; A59-S63 PolarHBondContact O-OG 2.94Å; N60-S63 PolarHBondContact O-N 2.88Å; N60-S63 PolarHBondContact O-OG 2.83Å; R61-S63 VanDerWaalsContact C-N 3.34Å; S63-V65 PolarHBondContact O-N 3.47Å; S63-R253 PolarHBondContact OG-NH1 3.33Å; S63-N255 PolarHBondContact O-ND2 3.12Å
64	E	98	Very high	98.4	Very high	69 Å²	69	25.2 Å²	25.2	32%	0.322	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-28.7	168.2	-65.2	169.7	166.9	0	0	111.6	N60 R61 L62 R66 K601	N60-E64 PolarHBondContact O-N 3.07Å; R61-E64 VanDerWaalsContact CD-OE1 3.23Å; R61-E64 WeakPolarHBondContact CD-OE1 3.46Å; R61-E64 IonicContact CZ-OE1 2.69Å; R61-E64 IonicContact NE-OE1 3.86Å; R61-E64 IonicContact NH1-OE1 3.23Å; R61-E64 PolarHBondContact NH1-OE1 3.06Å; R61-E64 WeakPolarHBondContact O-CB 3.4Å; R61-E64 PolarHBondContact O-N 2.97Å; L62-E64 PolarHBondContact O-N 3.39Å; E64-R66 PolarHBondContact O-N 2.89Å; E64-K601 IonicContact OE2-NZ 3.49Å; E64-K601 PolarHBondContact OE2-NZ 3.43Å
65	V	98.1	Very high	98.3	Very high	27 Å²	27	25.8 Å²	25.8	16%	0.164	12%	0.121	C	C	.	.	S	Bend	trans	-81.5	98.7	176.7	-173.4	0	0	0	0	108.9	L62 S63 N67 W68 N255 V606	L62-V65 PolarHBondContact O-N 2.65Å; S63-V65 PolarHBondContact O-N 3.47Å; V65-N67 PolarHBondContact O-N 2.98Å; V65-W68 HydrophobicContact CB-CB 4.31Å; V65-W68 HydrophobicContact CB-CD2 3.64Å; V65-W68 HydrophobicContact CB-CE3 3.61Å; V65-W68 HydrophobicContact CB-CG 3.96Å; V65-W68 HydrophobicContact CB-CZ3 4.29Å; V65-W68 HydrophobicContact CG1-CB 4.44Å; V65-W68 HydrophobicContact CG1-CD2 3.59Å; V65-W68 HydrophobicContact CG1-CE3 4.05Å; V65-W68 HydrophobicContact CG1-CG 3.75Å; V65-W68 HydrophobicContact CG1-CZ2 4.48Å; V65-W68 HydrophobicContact CG2-CD2 4.12Å; V65-W68 HydrophobicContact CG2-CE3 3.69Å; V65-W68 HydrophobicContact CG2-CH2 4.45Å; V65-W68 HydrophobicContact CG2-CZ3 3.86Å; V65-W68 WeakPolarHBondContact O-CB 3.48Å; V65-W68 PolarHBondContact O-N 2.95Å; V65-N255 PolarHBondContact O-ND2 3.42Å; V65-V606 HydrophobicContact CG1-CG2 4.22Å; V65-V606 HydrophobicContact CG2-CG1 4.07Å; V65-V606 HydrophobicContact CG2-CG2 4.13Å
66	R	95.9	Very high	98.3	Very high	221 Å²	221	26 Å²	26	83%	0.834	12%	0.122	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-25.8	-172.1	-63.6	-176.8	-179.6	177.3	0.4	115.1	E64 W68	E64-R66 PolarHBondContact O-N 2.89Å; R66-W68 VanDerWaalsContact C-N 3.31Å
67	N	96.1	Very high	98.2	Very high	146 Å²	146	26.6 Å²	26.6	78%	0.781	13%	0.129	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84	-4.5	178.9	-69.1	-1.5	0	0	0	113.4	V65	V65-N67 PolarHBondContact O-N 2.98Å
68	W	98.2	Very high	98	Very high	8 Å²	8	27.6 Å²	27.6	3%	0.03	13%	0.134	C	C	.	.			trans	-102	134.6	177.2	-64.9	-10	0	0	0	111.1	D45 F46 L62 V65 R66 N255 R293 K601 W604 V606	D45-W68 HydrophobicContact CB-CB 4.32Å; D45-W68 VanDerWaalsContact OD2-CA 3.31Å; D45-W68 WeakPolarHBondContact OD2-CA 3.3Å; F46-W68 HydrophobicContact CD2-CD2 4.36Å; F46-W68 HydrophobicContact CD2-CE3 4.11Å; F46-W68 HydrophobicContact CE2-CB 4.46Å; F46-W68 AromaticContact CE2-CD2 3.56Å; F46-W68 HydrophobicContact CE2-CD2 3.56Å; F46-W68 AromaticContact CE2-CE3 3.4Å; F46-W68 HydrophobicContact CE2-CE3 3.4Å; F46-W68 HydrophobicContact CE2-CG 4.06Å; F46-W68 HydrophobicContact CE2-CH2 4.08Å; F46-W68 HydrophobicContact CE2-CZ2 4.28Å; F46-W68 AromaticContact CE2-CZ3 3.69Å; F46-W68 HydrophobicContact CE2-CZ3 3.69Å; F46-W68 HydrophobicContact CZ-CD2 4.45Å; F46-W68 HydrophobicContact CZ-CE3 4.18Å; F46-W68 HydrophobicContact CZ-CH2 4.08Å; F46-W68 HydrophobicContact CZ-CZ2 4.42Å; F46-W68 AromaticContact CZ-CZ3 4Å; F46-W68 HydrophobicContact CZ-CZ3 4Å; L62-W68 HydrophobicContact CB-CE3 4.42Å; L62-W68 HydrophobicContact CD2-CE3 4.28Å; L62-W68 HydrophobicContact CD2-CZ3 3.73Å; V65-W68 HydrophobicContact CB-CB 4.31Å; V65-W68 HydrophobicContact CB-CD2 3.64Å; V65-W68 HydrophobicContact CB-CE3 3.61Å; V65-W68 HydrophobicContact CB-CG 3.96Å; V65-W68 HydrophobicContact CB-CZ3 4.29Å; V65-W68 HydrophobicContact CG1-CB 4.44Å; V65-W68 HydrophobicContact CG1-CD2 3.59Å; V65-W68 HydrophobicContact CG1-CE3 4.05Å; V65-W68 HydrophobicContact CG1-CG 3.75Å; V65-W68 HydrophobicContact CG1-CZ2 4.48Å; V65-W68 HydrophobicContact CG2-CD2 4.12Å; V65-W68 HydrophobicContact CG2-CE3 3.69Å; V65-W68 HydrophobicContact CG2-CH2 4.45Å; V65-W68 HydrophobicContact CG2-CZ3 3.86Å; V65-W68 WeakPolarHBondContact O-CB 3.48Å; V65-W68 PolarHBondContact O-N 2.95Å; R66-W68 VanDerWaalsContact C-N 3.31Å; W68-N255 VanDerWaalsContact O-CB 3.27Å; W68-N255 WeakPolarHBondContact O-CB 3.16Å; W68-N255 PolarHBondContact O-ND2 3.09Å; W68-R293 VanDerWaalsContact CE2-NH1 3.3Å; W68-R293 VanDerWaalsContact CZ2-NH1 3.26Å; W68-K601 HydrophobicContact CH2-CG 4.14Å; W68-K601 HydrophobicContact CZ3-CG 3.96Å; W68-W604 HydrophobicContact CH2-CB 3.84Å; W68-W604 HydrophobicContact CZ2-CB 3.61Å; W68-W604 HydrophobicContact CZ2-CG 4.46Å; W68-V606 HydrophobicContact CH2-CB 4.5Å; W68-V606 HydrophobicContact CH2-CG2 3.48Å; W68-V606 VanDerWaalsContact CH2-CG2 3.48Å; W68-V606 HydrophobicContact CZ2-CG2 3.27Å; W68-V606 HydrophobicContact CZ3-CG2 4.31Å
69	T	98.6	Very high	97.8	Very high	22 Å²	22	27.7 Å²	27.7	14%	0.135	13%	0.134	C	C	.	.			trans	-94.5	125.4	170.3	50.6	0	0	0	0	109.4	Y44 D45 F46 N255	Y44-T69 WeakPolarHBondContact CA-OG1 3.17Å; D45-T69 WeakPolarHBondContact CB-O 3.28Å; D45-T69 PolarHBondContact N-O 2.93Å; D45-T69 PolarHBondContact N-OG1 3.22Å; D45-T69 PolarHBondContact OD2-N 3.35Å; D45-T69 PolarHBondContact OD2-OG1 3.46Å; F46-T69 PolarHBondContact N-O 2.85Å; F46-T69 VanDerWaalsContact N-O 3.13Å; T69-N255 WeakPolarHBondContact CA-O 3.5Å
70	V	98.6	Very high	97.4	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	127.7	-177.3	-176.6	0	0	0	0	109.3	F46 V48 A59 L62 N255 F256 D257	F46-V70 WeakPolarHBondContact O-CA 3.44Å; V48-V70 HydrophobicContact CG2-CG1 4.21Å; A59-V70 HydrophobicContact CB-CG1 4.45Å; L62-V70 HydrophobicContact CB-CG2 3.83Å; V70-N255 PolarHBondContact N-O 3.4Å; V70-F256 HydrophobicContact CB-CD2 4.2Å; V70-F256 HydrophobicContact CG1-CD2 4.19Å; V70-F256 HydrophobicContact CG1-CE2 4.46Å; V70-F256 WeakPolarHBondContact O-CA 3.49Å; V70-D257 PolarHBondContact O-N 3.5Å
71	L	98.6	Very high	96.7	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	127.6	171.1	177.2	63.1	0	0	0	109.6	I40 Y44 F46 V47 V48 L73 D257 L259 V289	I40-L71 HydrophobicContact CD1-CD1 3.96Å; Y44-L71 HydrophobicContact CD1-CB 3.68Å; Y44-L71 HydrophobicContact CD2-CB 3.82Å; Y44-L71 HydrophobicContact CD2-CD2 3.97Å; Y44-L71 HydrophobicContact CE1-CB 3.77Å; Y44-L71 HydrophobicContact CE2-CB 3.91Å; Y44-L71 HydrophobicContact CE2-CD1 4.49Å; Y44-L71 HydrophobicContact CE2-CD2 3.71Å; Y44-L71 HydrophobicContact CE2-CG 4.26Å; Y44-L71 HydrophobicContact CG-CB 3.71Å; F46-L71 PolarHBondContact O-N 2.9Å; V47-L71 CarbonylContact C-O 3.56Å; V47-L71 WeakPolarHBondContact CA-O 3.33Å; V47-L71 HydrophobicContact CG2-CB 4.48Å; V48-L71 PolarHBondContact N-O 2.89Å; L71-L73 HydrophobicContact CD1-CD2 4.3Å; L71-L73 HydrophobicContact CD2-CD2 3.76Å; L71-L73 HydrophobicContact CD2-CG 4.27Å; L71-L73 HydrophobicContact CG-CD2 3.93Å; L71-L73 HydrophobicContact CG-CG 4.28Å; L71-D257 WeakPolarHBondContact CA-O 3.5Å; L71-D257 HydrophobicContact CD1-CB 3.84Å; L71-L259 HydrophobicContact CD1-CB 4.19Å; L71-V289 HydrophobicContact CD2-CB 4.28Å; L71-V289 HydrophobicContact CD2-CG1 3.98Å; L71-V289 HydrophobicContact CD2-CG2 3.84Å
72	L	98.8	Very high	96.2	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	119.6	168.6	178	62.3	0	0	0	109.8	V48 A59 L128 I247 F256 D257 V258 L259	V48-L72 HydrophobicContact CB-CD1 3.85Å; V48-L72 HydrophobicContact CG1-CD1 3.74Å; V48-L72 WeakPolarHBondContact O-CA 3.47Å; A59-L72 HydrophobicContact CB-CB 4.32Å; A59-L72 HydrophobicContact CB-CD1 4.44Å; A59-L72 HydrophobicContact CB-CD2 4.28Å; L72-L128 HydrophobicContact CD2-CD1 3.86Å; L72-I247 HydrophobicContact CD2-CD1 4.07Å; L72-I247 HydrophobicContact CD2-CG1 4.39Å; L72-F256 HydrophobicContact CB-CE2 3.85Å; L72-F256 HydrophobicContact CB-CZ 4.27Å; L72-F256 HydrophobicContact CD2-CZ 4.32Å; L72-D257 PolarHBondContact N-O 2.84Å; L72-V258 HydrophobicContact CB-CG2 4.43Å; L72-V258 HydrophobicContact CD2-CG1 4.36Å; L72-V258 HydrophobicContact CD2-CG2 4.41Å; L72-L259 PolarHBondContact O-N 3.42Å
73	L	98.7	Very high	95.9	Very high	2 Å²	2	40 Å²	40	1%	0.01	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	118.7	173.4	-61.5	-179.9	0	0	0	109.7	V47 V48 G50 L71 L259 A262 V278 Y280 V289	V47-L73 HydrophobicContact CG1-CD1 3.81Å; V47-L73 HydrophobicContact CG1-CG 4.11Å; V48-L73 PolarHBondContact O-N 3.2Å; G50-L73 WeakPolarHBondContact CA-O 3.18Å; G50-L73 PolarHBondContact N-O 3.02Å; L71-L73 HydrophobicContact CD1-CD2 4.3Å; L71-L73 HydrophobicContact CD2-CD2 3.76Å; L71-L73 HydrophobicContact CD2-CG 4.27Å; L71-L73 HydrophobicContact CG-CD2 3.93Å; L71-L73 HydrophobicContact CG-CG 4.28Å; L73-L259 HydrophobicContact CD2-CB 3.97Å; L73-L259 HydrophobicContact CD2-CD2 3.92Å; L73-A262 HydrophobicContact CD2-CB 4.01Å; L73-V278 HydrophobicContact CD1-CG1 3.97Å; L73-Y280 HydrophobicContact CD1-CD1 4.19Å; L73-Y280 HydrophobicContact CD1-CG 4.27Å; L73-V289 HydrophobicContact CD1-CG1 4.47Å
74	E	98.7	Very high	95.5	Very high	8 Å²	8	41.2 Å²	41.2	4%	0.037	21%	0.205	C	C	.	.			trans	-117.7	129.3	175.3	176.4	47.9	-125.6	0	0	110.3	G51 G76 V127 L128 L259 L260 H261 A262	G51-E74 WeakPolarHBondContact CA-OE2 3.47Å; G51-E74 PolarHBondContact N-OE2 3.27Å; E74-G76 VanDerWaalsContact C-N 3.31Å; E74-G76 PolarHBondContact O-N 3.29Å; E74-G76 PolarHBondContact OE1-N 2.73Å; E74-V127 PolarHBondContact OE1-N 3.12Å; E74-L128 HydrophobicContact CG-CB 4.44Å; E74-L259 PolarHBondContact N-O 2.81Å; E74-L260 HydrophobicContact CB-CD2 4.06Å; E74-L260 HydrophobicContact CG-CD2 4.24Å; E74-L260 CarbonylContact O-C 3.54Å; E74-H261 PolarHBondContact O-N 2.9Å; E74-A262 CarbonylContact C-O 3Å; E74-A262 PolarHBondContact O-N 2.92Å
75	A	98.3	Very high	95.1	Very high	16 Å²	16	38.6 Å²	38.6	13%	0.132	19%	0.193	C	C	.	.	S	Bend	trans	-72.1	-27.5	-178.5	0	0	0	0	0	112.6	W99 K126 E263	A75-W99 HydrophobicContact CB-CH2 3.75Å; A75-W99 HydrophobicContact CB-CZ2 3.52Å; A75-K126 HydrophobicContact CB-CG 4.46Å; A75-E263 HydrophobicContact CB-CB 3.9Å; A75-E263 HydrophobicContact CB-CG 4.08Å
76	G	98	Very high	94.9	Very high	3 Å²	3	37.3 Å²	37.3	3%	0.031	19%	0.186	C	C	.	.	S	Bend	trans	-89.8	-174.8	176.9	0	0	0	0	0	115.1	E74 K126 H261	E74-G76 VanDerWaalsContact C-N 3.31Å; E74-G76 PolarHBondContact O-N 3.29Å; E74-G76 PolarHBondContact OE1-N 2.73Å; G76-K126 VanDerWaalsContact CA-O 3.27Å; G76-K126 WeakPolarHBondContact CA-O 3.39Å; G76-H261 PolarHBondContact O-N 2.77Å
77	G	96.7	Very high	94.5	Very high	13 Å²	13	28.7 Å²	28.7	13%	0.134	16%	0.162	C	C	.	.	B	Isolated β-bridge	trans	-89.2	-160.9	169.9	0	0	0	0	0	112.6	V127 L128 H261	G77-V127 CarbonylContact O-C 3.39Å; G77-V127 WeakPolarHBondContact O-CA 3.28Å; G77-V127 WeakPolarHBondContact O-CG2 3.19Å; G77-L128 PolarHBondContact O-N 2.71Å; G77-H261 VanDerWaalsContact CA-CE1 3.44Å; G77-H261 WeakPolarHBondContact CA-CE1 3.47Å; G77-H261 PolarHBondContact N-CE1 3.47Å
78	D	95.3	Very high	94.1	Very high	22 Å²	22	23.7 Å²	23.7	12%	0.118	14%	0.135	C	C	.	.			trans	-89	167.4	172.9	-152.1	-21.4	0	0	0	111.2	K33 V34 L260	K33-D78 WeakPolarHBondContact CA-OD2 3.14Å; K33-D78 VanDerWaalsContact CB-OD2 3.23Å; K33-D78 WeakPolarHBondContact CB-OD2 3.29Å; K33-D78 HydrophobicContact CD-CB 4.38Å; K33-D78 WeakPolarHBondContact CG-OD2 3.4Å; V34-D78 PolarHBondContact N-OD2 2.95Å; D78-L260 HydrophobicContact CB-CD1 4.04Å
79	E	94.4	Very high	93.7	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.005	14%	0.138	C	C	.	.			trans	-59.8	157.1	173.3	-66.5	177	-111.9	0	0	112	K33 V127 V133 S241 K244 R248	K33-E79 WeakPolarHBondContact CE-O 3.48Å; K33-E79 PolarHBondContact NZ-O 3.35Å; E79-V127 HydrophobicContact CG-CG2 4.17Å; E79-V133 HydrophobicContact CG-CG1 3.97Å; E79-V133 HydrophobicContact CG-CG2 3.68Å; E79-S241 PolarHBondContact OE1-OG 2.74Å; E79-S241 WeakPolarHBondContact OE2-CB 3.35Å; E79-S241 PolarHBondContact OE2-OG 3.29Å; E79-S241 VanDerWaalsContact OE2-OG 3.06Å; E79-K244 WeakPolarHBondContact OE2-CE 3.33Å; E79-R248 IonicContact OE1-NH2 2.7Å
80	T	90	Very high	93.1	Very high	49 Å²	49	23.9 Å²	23.9	30%	0.301	14%	0.143	S	C	.	.			trans	-115.6	161.6	179.8	67.1	0	0	0	0	110.7	I82 S83 D84 L97	T80-I82 PolarHBondContact O-N 3.49Å; T80-I82 VanDerWaalsContact O-N 3.15Å; T80-S83 PolarHBondContact N-OG 2.97Å; T80-S83 PolarHBondContact O-N 2.92Å; T80-S83 PolarHBondContact O-OG 3.34Å; T80-S83 PolarHBondContact OG1-N 3.01Å; T80-S83 PolarHBondContact OG1-OG 3.13Å; T80-D84 PolarHBondContact O-N 3.48Å; T80-L97 HydrophobicContact CG2-CD1 4.42Å; T80-L97 HydrophobicContact CG2-CD2 4.48Å
81	E	84.9	Confident	92.6	Very high	136 Å²	136	27.3 Å²	27.3	64%	0.636	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-26.4	175.2	-50.7	-47.8	141.1	0	0	112.5	D84	E81-D84 WeakPolarHBondContact O-CB 3.42Å; E81-D84 PolarHBondContact O-N 3.26Å
82	I	86.8	Confident	92.3	Very high	96 Å²	96	27.5 Å²	27.5	49%	0.492	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-38.4	176.4	-59.7	175.9	0	0	0	110.8	T80 D84 V85 L88 L92	T80-I82 PolarHBondContact O-N 3.49Å; T80-I82 VanDerWaalsContact O-N 3.15Å; I82-D84 PolarHBondContact O-N 3.08Å; I82-V85 PolarHBondContact O-N 3.2Å; I82-L88 HydrophobicContact CG2-CB 4.33Å; I82-L88 HydrophobicContact CG2-CD1 4.01Å; I82-L92 HydrophobicContact CG2-CD2 4.04Å
83	S	92	Very high	92.1	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-17.3	179.7	51	0	0	0	0	113.8	T80 V85 R239	T80-S83 PolarHBondContact N-OG 2.97Å; T80-S83 PolarHBondContact O-N 2.92Å; T80-S83 PolarHBondContact O-OG 3.34Å; T80-S83 PolarHBondContact OG1-N 3.01Å; T80-S83 PolarHBondContact OG1-OG 3.13Å; S83-V85 VanDerWaalsContact C-N 3.31Å; S83-R239 WeakPolarHBondContact O-CD 3.25Å; S83-R239 PolarHBondContact O-NE 3.38Å; S83-R239 VanDerWaalsContact O-NE 3.08Å
84	D	90	Very high	91.8	Very high	27 Å²	27	31.3 Å²	31.3	14%	0.144	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-27.7	177.1	-74.1	16.3	0	0	0	112.3	T80 E81 I82 P86 A238 R239 K244 Y369	T80-D84 PolarHBondContact O-N 3.48Å; E81-D84 WeakPolarHBondContact O-CB 3.42Å; E81-D84 PolarHBondContact O-N 3.26Å; I82-D84 PolarHBondContact O-N 3.08Å; D84-P86 VanDerWaalsContact O-CD 3.25Å; D84-P86 WeakPolarHBondContact O-CD 3.23Å; D84-A238 WeakPolarHBondContact O-CA 3.26Å; D84-R239 PolarHBondContact O-N 3.03Å; D84-K244 VanDerWaalsContact OD1-CE 3.23Å; D84-K244 WeakPolarHBondContact OD1-CE 3.35Å; D84-K244 IonicContact OD1-NZ 3.48Å; D84-K244 PolarHBondContact OD1-NZ 3.5Å; D84-K244 IonicContact OD2-NZ 3.68Å; D84-K244 PolarHBondContact OD2-NZ 3.14Å; D84-Y369 PolarHBondContact O-OH 2.75Å
85	V	91	Very high	91.7	Very high	13 Å²	13	33.3 Å²	33.3	8%	0.079	19%	0.189	C	C	.	.			trans	-82	113.6	-174.8	-170.1	0	0	0	0	110.5	I82 S83 A87 L88 Y369 M377	I82-V85 PolarHBondContact O-N 3.2Å; S83-V85 VanDerWaalsContact C-N 3.31Å; V85-A87 VanDerWaalsContact C-N 3.34Å; V85-A87 PolarHBondContact O-N 3.38Å; V85-L88 HydrophobicContact CB-CB 4.26Å; V85-L88 HydrophobicContact CB-CD1 3.93Å; V85-L88 HydrophobicContact CB-CG 4.01Å; V85-L88 HydrophobicContact CG1-CD1 4.07Å; V85-L88 HydrophobicContact CG1-CG 3.9Å; V85-L88 HydrophobicContact CG2-CD1 4.21Å; V85-L88 PolarHBondContact O-N 3.24Å; V85-L88 VanDerWaalsContact O-N 3.14Å; V85-Y369 HydrophobicContact CB-CE1 4.46Å; V85-Y369 HydrophobicContact CG1-CE1 4.26Å; V85-Y369 HydrophobicContact CG1-CE2 4.46Å; V85-Y369 HydrophobicContact CG2-CE1 3.74Å; V85-M377 HydrophobicContact CG1-CB 3.89Å; V85-M377 HydrophobicContact CG1-CE 4.33Å; V85-M377 HydrophobicContact CG1-SD 4.37Å
86	P	92.9	Very high	91.6	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.006	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-54.1	-44.9	-177.3	-32.8	40.8	0	0	0	114.6	D84 L88 A89 M137 I234 G237 M377 T378 F379	D84-P86 VanDerWaalsContact O-CD 3.25Å; D84-P86 WeakPolarHBondContact O-CD 3.23Å; P86-L88 PolarHBondContact O-N 3.49Å; P86-L88 VanDerWaalsContact O-N 3.11Å; P86-A89 PolarHBondContact O-N 2.98Å; P86-M137 HydrophobicContact CB-CE 3.55Å; P86-M137 HydrophobicContact CB-SD 3.9Å; P86-M137 HydrophobicContact CG-CE 4.34Å; P86-M137 HydrophobicContact CG-SD 4.03Å; P86-I234 HydrophobicContact CG-CD1 4.36Å; P86-G237 WeakPolarHBondContact CD-O 3.31Å; P86-G237 WeakPolarHBondContact CG-O 3.39Å; P86-M377 WeakPolarHBondContact CD-O 3.05Å; P86-T378 WeakPolarHBondContact CB-O 3.26Å; P86-F379 CarbonylContact C-O 3.54Å; P86-F379 WeakPolarHBondContact CB-O 3.34Å
87	A	88.6	Confident	91.5	Very high	40 Å²	40	40.1 Å²	40.1	33%	0.331	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-68.6	-12.4	-175.2	0	0	0	0	0	113.8	V85 M377 F379	V85-A87 VanDerWaalsContact C-N 3.34Å; V85-A87 PolarHBondContact O-N 3.38Å; A87-M377 HydrophobicContact CB-CB 4.47Å; A87-M377 WeakPolarHBondContact CB-O 3.48Å; A87-M377 PolarHBondContact N-O 3Å; A87-M377 VanDerWaalsContact N-O 3.1Å; A87-F379 WeakPolarHBondContact CA-O 3.01Å; A87-F379 WeakPolarHBondContact CB-O 3.41Å; A87-F379 PolarHBondContact N-O 3.36Å
88	L	87.4	Confident	91.6	Very high	40 Å²	40	39.9 Å²	39.9	21%	0.209	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-98.7	8.7	-179	-58.5	-176.7	0	0	0	113.4	I82 V85 P86 G90 Y91	I82-L88 HydrophobicContact CG2-CB 4.33Å; I82-L88 HydrophobicContact CG2-CD1 4.01Å; V85-L88 HydrophobicContact CB-CB 4.26Å; V85-L88 HydrophobicContact CB-CD1 3.93Å; V85-L88 HydrophobicContact CB-CG 4.01Å; V85-L88 HydrophobicContact CG1-CD1 4.07Å; V85-L88 HydrophobicContact CG1-CG 3.9Å; V85-L88 HydrophobicContact CG2-CD1 4.21Å; V85-L88 PolarHBondContact O-N 3.24Å; V85-L88 VanDerWaalsContact O-N 3.14Å; P86-L88 PolarHBondContact O-N 3.49Å; P86-L88 VanDerWaalsContact O-N 3.11Å; L88-G90 PolarHBondContact O-N 3.36Å; L88-G90 VanDerWaalsContact O-N 3.13Å; L88-Y91 HydrophobicContact CB-CD2 4.31Å; L88-Y91 HydrophobicContact CD2-CD2 3.85Å; L88-Y91 HydrophobicContact CD2-CE2 4.02Å; L88-Y91 WeakPolarHBondContact O-CA 3.47Å; L88-Y91 WeakPolarHBondContact O-CB 3.19Å; L88-Y91 PolarHBondContact O-N 3Å
89	A	89.1	Confident	91.7	Very high	12 Å²	12	40.5 Å²	40.5	10%	0.099	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-51	-40.7	-178.5	0	0	0	0	0	113.6	P86 Y91 L92	P86-A89 PolarHBondContact O-N 2.98Å; A89-Y91 VanDerWaalsContact C-N 3.26Å; A89-Y91 PolarHBondContact O-N 2.76Å; A89-L92 WeakPolarHBondContact O-CB 3.37Å; A89-L92 PolarHBondContact O-N 2.99Å
90	G	86.5	Confident	91.9	Very high	23 Å²	23	44 Å²	44	24%	0.237	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-66.3	-21.7	177.1	0	0	0	0	0	114.6	L88 L92	L88-G90 PolarHBondContact O-N 3.36Å; L88-G90 VanDerWaalsContact O-N 3.13Å; G90-L92 VanDerWaalsContact C-N 3.31Å
91	Y	87.1	Confident	92.2	Very high	71 Å²	71	41.7 Å²	41.7	28%	0.278	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-82.7	-8.9	176.7	-67.3	-91.8	0	0	0	113.1	L88 A89 T95 Q361 Q418	L88-Y91 HydrophobicContact CB-CD2 4.31Å; L88-Y91 HydrophobicContact CD2-CD2 3.85Å; L88-Y91 HydrophobicContact CD2-CE2 4.02Å; L88-Y91 WeakPolarHBondContact O-CA 3.47Å; L88-Y91 WeakPolarHBondContact O-CB 3.19Å; L88-Y91 PolarHBondContact O-N 3Å; A89-Y91 VanDerWaalsContact C-N 3.26Å; A89-Y91 PolarHBondContact O-N 2.76Å; Y91-T95 WeakPolarHBondContact O-CG2 3.46Å; Y91-Q361 PolarHBondContact OH-NE2 3.1Å; Y91-Q418 HydrophobicContact CD1-CB 4.49Å; Y91-Q418 HydrophobicContact CD1-CG 3.88Å; Y91-Q418 HydrophobicContact CE1-CB 3.93Å; Y91-Q418 HydrophobicContact CE1-CG 3.83Å; Y91-Q418 HydrophobicContact CG-CG 4.38Å
92	L	92.4	Very high	92.8	Very high	4 Å²	4	38.9 Å²	38.9	2%	0.021	20%	0.203	C	C	.	.	S	Bend	trans	-82.1	-22.3	176.9	-52.4	176.5	0	0	0	112.1	I82 A89 G90 T95 L97 V133 L134	I82-L92 HydrophobicContact CG2-CD2 4.04Å; A89-L92 WeakPolarHBondContact O-CB 3.37Å; A89-L92 PolarHBondContact O-N 2.99Å; G90-L92 VanDerWaalsContact C-N 3.31Å; L92-T95 WeakPolarHBondContact O-CG2 3.38Å; L92-T95 PolarHBondContact O-OG1 3.24Å; L92-L97 HydrophobicContact CD2-CD1 4.11Å; L92-V133 WeakPolarHBondContact CD1-O 3.45Å; L92-L134 HydrophobicContact CB-CG 4.08Å
93	Q	94.2	Very high	93.3	Very high	19 Å²	19	34.3 Å²	34.3	9%	0.089	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	151.3	175.6	-59.4	-179.5	25.3	0	0	110.6	T95 P123 I422	Q93-T95 PolarHBondContact O-N 3.08Å; Q93-T95 VanDerWaalsContact O-N 3.14Å; Q93-P123 HydrophobicContact CB-CB 4.35Å; Q93-P123 HydrophobicContact CG-CB 3.81Å; Q93-P123 HydrophobicContact CG-CG 4.12Å; Q93-I422 HydrophobicContact CB-CB 4.44Å; Q93-I422 HydrophobicContact CB-CG2 4.08Å
94	L	94.2	Very high	93.6	Very high	64 Å²	64	36.1 Å²	36.1	34%	0.335	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.9	8.8	-176.6	-49	177.6	0	0	0	115	D98 K100 F121 I422	L94-D98 PolarHBondContact N-OD2 3.36Å; L94-K100 VanDerWaalsContact O-CE 3.28Å; L94-K100 WeakPolarHBondContact O-CE 3.17Å; L94-K100 PolarHBondContact O-NZ 2.65Å; L94-F121 HydrophobicContact CD1-CD2 4.42Å; L94-F121 HydrophobicContact CD1-CE2 3.99Å; L94-F121 HydrophobicContact CD2-CD2 3.77Å; L94-F121 HydrophobicContact CD2-CE2 3.71Å; L94-F121 HydrophobicContact CG-CE2 4.45Å; L94-I422 HydrophobicContact CD1-CG2 4.19Å
95	T	95.9	Very high	93.9	Very high	49 Å²	49	37 Å²	37	30%	0.301	20%	0.197	S	C	.	.	S	Bend	trans	-97.7	-179.4	173.3	76.2	0	0	0	0	111.7	Y91 L92 Q93 L97 D98 K100	Y91-T95 WeakPolarHBondContact O-CG2 3.46Å; L92-T95 WeakPolarHBondContact O-CG2 3.38Å; L92-T95 PolarHBondContact O-OG1 3.24Å; Q93-T95 PolarHBondContact O-N 3.08Å; Q93-T95 VanDerWaalsContact O-N 3.14Å; T95-L97 PolarHBondContact O-N 3.09Å; T95-L97 PolarHBondContact OG1-N 2.93Å; T95-D98 PolarHBondContact O-N 3.41Å; T95-K100 VanDerWaalsContact C-CE 3.47Å; T95-K100 WeakPolarHBondContact O-CE 3.46Å
96	E	95.7	Very high	94	Very high	144 Å²	144	37.2 Å²	37.2	67%	0.673	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-15.2	174.4	-62.6	-53.2	110.5	0	0	114	D98 K100	E96-D98 PolarHBondContact O-N 2.74Å; E96-K100 IonicContact OE1-NZ 3Å; E96-K100 PolarHBondContact OE1-NZ 3.13Å
97	L	97.1	Very high	93.9	Very high	19 Å²	19	43.1 Å²	43.1	10%	0.099	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-6.5	173	-53.5	180	0	0	0	112.6	T80 L92 T95 G125 K126 V127 L134	T80-L97 HydrophobicContact CG2-CD1 4.42Å; T80-L97 HydrophobicContact CG2-CD2 4.48Å; L92-L97 HydrophobicContact CD2-CD1 4.11Å; T95-L97 PolarHBondContact O-N 3.09Å; T95-L97 PolarHBondContact OG1-N 2.93Å; L97-G125 CarbonylContact O-C 3.14Å; L97-G125 WeakPolarHBondContact O-CA 3.16Å; L97-K126 PolarHBondContact O-N 2.74Å; L97-V127 HydrophobicContact CB-CB 4.5Å; L97-V127 HydrophobicContact CD2-CB 3.95Å; L97-V127 HydrophobicContact CD2-CG2 3.82Å; L97-L134 HydrophobicContact CB-CD1 4.4Å
98	D	97.8	Very high	94.1	Very high	7 Å²	7	45.6 Å²	45.6	4%	0.037	25%	0.252	C	S	.	.	B	Isolated β-bridge	trans	-115.5	137.6	-177	-177.2	11.7	0	0	0	110.4	L94 T95 E96 K100 P123 R124 L134	L94-D98 PolarHBondContact N-OD2 3.36Å; T95-D98 PolarHBondContact O-N 3.41Å; E96-D98 PolarHBondContact O-N 2.74Å; D98-K100 HydrophobicContact CB-CG 4.12Å; D98-K100 VanDerWaalsContact CG-N 3.26Å; D98-K100 WeakPolarHBondContact O-CG 3.31Å; D98-K100 PolarHBondContact O-N 2.04Å; D98-K100 PolarHBondContact OD1-N 3.39Å; D98-P123 WeakPolarHBondContact OD1-CA 3.41Å; D98-R124 CarbonylContact C-O 3.44Å; D98-R124 WeakPolarHBondContact CA-O 3.33Å; D98-R124 PolarHBondContact OD1-N 3.5Å; D98-L134 HydrophobicContact CB-CD2 3.93Å
99	W	97.7	Very high	94.4	Very high	36 Å²	36	49.8 Å²	49.8	14%	0.136	27%	0.265	C	S	.	.			trans	-67	-18.4	168.6	-76.3	103.4	0	0	0	113.1	A75 Y101 R124 G125 K126 E263 N303 Q468	A75-W99 HydrophobicContact CB-CH2 3.75Å; A75-W99 HydrophobicContact CB-CZ2 3.52Å; W99-Y101 VanDerWaalsContact C-N 3.32Å; W99-Y101 HydrophobicContact CB-CD2 3.67Å; W99-Y101 HydrophobicContact CB-CE1 4.24Å; W99-Y101 HydrophobicContact CB-CE2 3.34Å; W99-Y101 HydrophobicContact CB-CG 4.26Å; W99-Y101 HydrophobicContact CD2-CE2 4.34Å; W99-Y101 HydrophobicContact CG-CD2 4.44Å; W99-Y101 AromaticContact CG-CE2 3.67Å; W99-Y101 HydrophobicContact CG-CE2 3.67Å; W99-Y101 AromaticContact CG-CZ 3.86Å; W99-Y101 PolarHBondContact O-N 3.35Å; W99-R124 HydrophobicContact CB-CB 4.26Å; W99-R124 VanDerWaalsContact CD1-O 3.27Å; W99-R124 HydrophobicContact CG-CB 4.43Å; W99-R124 PolarHBondContact N-O 3.17Å; W99-G125 PolarHBondContact NE1-O 3.33Å; W99-K126 HydrophobicContact CD2-CB 4.03Å; W99-K126 HydrophobicContact CD2-CD 3.94Å; W99-K126 HydrophobicContact CD2-CG 4.02Å; W99-K126 HydrophobicContact CE3-CD 3.94Å; W99-K126 HydrophobicContact CE3-CG 4.48Å; W99-K126 HydrophobicContact CG-CB 4Å; W99-K126 HydrophobicContact CH2-CD 4.11Å; W99-K126 HydrophobicContact CH2-CG 4.28Å; W99-K126 HydrophobicContact CZ2-CB 4.45Å; W99-K126 HydrophobicContact CZ2-CD 4.1Å; W99-K126 HydrophobicContact CZ2-CG 3.79Å; W99-K126 HydrophobicContact CZ3-CD 4.02Å; W99-E263 HydrophobicContact CH2-CG 4.32Å; W99-N303 PolarHBondContact NE1-ND2 3.13Å; W99-Q468 PolarHBondContact O-NE2 2.87Å
100	K	97.4	Very high	94.7	Very high	74 Å²	74	52.1 Å²	52.1	32%	0.322	27%	0.274	S	S	.	.			trans	58	41.8	177.1	-47.5	176.3	-163.2	173.3	0	111.9	L94 T95 E96 D98 Q468	L94-K100 VanDerWaalsContact O-CE 3.28Å; L94-K100 WeakPolarHBondContact O-CE 3.17Å; L94-K100 PolarHBondContact O-NZ 2.65Å; T95-K100 VanDerWaalsContact C-CE 3.47Å; T95-K100 WeakPolarHBondContact O-CE 3.46Å; E96-K100 IonicContact OE1-NZ 3Å; E96-K100 PolarHBondContact OE1-NZ 3.13Å; D98-K100 HydrophobicContact CB-CG 4.12Å; D98-K100 VanDerWaalsContact CG-N 3.26Å; D98-K100 WeakPolarHBondContact O-CG 3.31Å; D98-K100 PolarHBondContact O-N 2.04Å; D98-K100 PolarHBondContact OD1-N 3.39Å; K100-Q468 PolarHBondContact O-NE2 2.9Å
101	Y	98	Very high	95.2	Very high	1 Å²	1	51.3 Å²	51.3	0%	0.004	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	153.9	178.7	-67.7	-54.5	0	0	0	111.8	W99 W122 R124 L302 N303 Q468 P469 I471	W99-Y101 VanDerWaalsContact C-N 3.32Å; W99-Y101 HydrophobicContact CB-CD2 3.67Å; W99-Y101 HydrophobicContact CB-CE1 4.24Å; W99-Y101 HydrophobicContact CB-CE2 3.34Å; W99-Y101 HydrophobicContact CB-CG 4.26Å; W99-Y101 HydrophobicContact CD2-CE2 4.34Å; W99-Y101 HydrophobicContact CG-CD2 4.44Å; W99-Y101 AromaticContact CG-CE2 3.67Å; W99-Y101 HydrophobicContact CG-CE2 3.67Å; W99-Y101 AromaticContact CG-CZ 3.86Å; W99-Y101 PolarHBondContact O-N 3.35Å; Y101-W122 WeakPolarHBondContact CB-O 3.07Å; Y101-W122 PolarHBondContact O-N 3.13Å; Y101-R124 HydrophobicContact CD2-CB 4.08Å; Y101-R124 HydrophobicContact CD2-CG 3.7Å; Y101-R124 HydrophobicContact CE2-CB 4.21Å; Y101-R124 HydrophobicContact CE2-CG 4.12Å; Y101-L302 HydrophobicContact CD2-CD1 3.79Å; Y101-L302 HydrophobicContact CE2-CB 4.46Å; Y101-L302 HydrophobicContact CE2-CD1 4.22Å; Y101-L302 HydrophobicContact CG-CD1 4.46Å; Y101-N303 VanDerWaalsContact OH-CG 3.27Å; Y101-N303 PolarHBondContact OH-ND2 2.76Å; Y101-N303 PolarHBondContact OH-OD1 3.21Å; Y101-Q468 HydrophobicContact CD1-CB 4.01Å; Y101-Q468 VanDerWaalsContact CD1-CD 3.48Å; Y101-Q468 HydrophobicContact CD1-CG 3.87Å; Y101-Q468 HydrophobicContact CE1-CB 3.86Å; Y101-Q468 HydrophobicContact CE1-CG 3.67Å; Y101-P469 HydrophobicContact CE1-CG 4.3Å; Y101-I471 HydrophobicContact CD1-CD1 4.08Å; Y101-I471 HydrophobicContact CD2-CD1 4.44Å; Y101-I471 HydrophobicContact CG-CD1 3.8Å
102	Q	97.3	Very high	95.7	Very high	77 Å²	77	47.9 Å²	47.9	36%	0.36	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	147.9	172.9	-56	-175	-8	0	0	109.5	C120 F121	Q102-C120 WeakPolarHBondContact CA-O 3.46Å; Q102-F121 HydrophobicContact CG-CD1 3.75Å; Q102-F121 HydrophobicContact CG-CE1 3.95Å
103	T	97.5	Very high	95.9	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-67.7	155.6	170.8	65.2	0	0	0	0	110.6	R119 C120 W122 P473	T103-R119 WeakPolarHBondContact O-CG 3.32Å; T103-R119 PolarHBondContact O-NH1 3.37Å; T103-C120 HydrophobicContact CG2-CB 4.04Å; T103-C120 PolarHBondContact N-O 3.24Å; T103-C120 PolarHBondContact OG1-N 3.14Å; T103-W122 HydrophobicContact CG2-CD2 4.13Å; T103-W122 HydrophobicContact CG2-CG 4Å; T103-W122 HydrophobicContact CG2-CZ2 4.49Å; T103-P473 HydrophobicContact CG2-CG 3.42Å; T103-P473 VanDerWaalsContact CG2-CG 3.42Å
104	T	97	Very high	96.1	Very high	37 Å²	37	49.3 Å²	49.3	23%	0.227	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-73.9	136.1	163.1	-51.6	0	0	0	0	107.4	Y111 I471 I472	T104-Y111 WeakPolarHBondContact O-CE2 3.34Å; T104-Y111 PolarHBondContact O-OH 3.2Å; T104-I471 VanDerWaalsContact CB-O 3.28Å; T104-I471 WeakPolarHBondContact CB-O 3.41Å; T104-I471 PolarHBondContact N-O 3.31Å; T104-I471 PolarHBondContact OG1-O 2.68Å; T104-I472 HydrophobicContact CG2-CG1 4.45Å
105	P	96.4	Very high	96.2	Very high	46 Å²	46	46.5 Å²	46.5	30%	0.299	24%	0.242	S	C	.	.	P	Polyproline II helix	trans	-67.6	146.1	175.8	28.9	-36	0	0	0	109.8	D118 R119	P105-D118 HydrophobicContact CB-CB 4.36Å; P105-R119 HydrophobicContact CB-CG 4.45Å
106	S	93.9	Very high	96.3	Very high	18 Å²	18	48.7 Å²	48.7	13%	0.126	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-74.2	135.4	171.2	167.6	0	0	0	0	110.4	T108 R109 Q110	S106-T108 PolarHBondContact O-N 3.18Å; S106-T108 PolarHBondContact OG-N 3.04Å; S106-T108 VanDerWaalsContact OG-N 3.16Å; S106-T108 PolarHBondContact OG-OG1 3.06Å; S106-R109 PolarHBondContact O-N 2.82Å; S106-R109 VanDerWaalsContact O-N 3.11Å; S106-R109 PolarHBondContact OG-N 3.13Å; S106-Q110 PolarHBondContact OG-N 2.84Å; S106-Q110 PolarHBondContact OG-OE1 3.03Å
107	S	91.6	Very high	96.4	Very high	125 Å²	125	43.9 Å²	43.9	87%	0.874	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-26.3	173.2	52.1	0	0	0	0	112.7
108	T	92.3	Very high	96.4	Very high	91 Å²	91	43.9 Å²	43.9	56%	0.558	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100	8.4	178.3	53.8	0	0	0	0	112.3	S106 Q110	S106-T108 PolarHBondContact O-N 3.18Å; S106-T108 PolarHBondContact OG-N 3.04Å; S106-T108 VanDerWaalsContact OG-N 3.16Å; S106-T108 PolarHBondContact OG-OG1 3.06Å; T108-Q110 PolarHBondContact O-N 3.47Å; T108-Q110 VanDerWaalsContact OG1-CG 3.25Å; T108-Q110 WeakPolarHBondContact OG1-CG 3.38Å; T108-Q110 PolarHBondContact OG1-OE1 3.28Å
109	R	93.3	Very high	96.3	Very high	129 Å²	129	47.7 Å²	47.7	49%	0.487	25%	0.251	S	S	.	.			trans	52.5	35.7	-178.9	-52.7	-173	72.9	-159.4	-4.3	113.4	S106 Y111 Q113 D118	S106-R109 PolarHBondContact O-N 2.82Å; S106-R109 VanDerWaalsContact O-N 3.11Å; S106-R109 PolarHBondContact OG-N 3.13Å; R109-Y111 PolarHBondContact O-N 2.88Å; R109-Q113 WeakPolarHBondContact O-CG 3.21Å; R109-Q113 PolarHBondContact O-NE2 2.98Å; R109-D118 IonicContact CZ-OD2 3.63Å; R109-D118 VanDerWaalsContact CZ-OD2 3.25Å; R109-D118 IonicContact NE-OD2 3.2Å; R109-D118 PolarHBondContact NE-OD2 3.08Å; R109-D118 IonicContact NH2-OD1 2.83Å; R109-D118 PolarHBondContact NH2-OD1 3.39Å; R109-D118 IonicContact NH2-OD2 2.73Å; R109-D118 PolarHBondContact NH2-OD2 2.98Å
110	Q	94.7	Very high	96.3	Very high	61 Å²	61	46.1 Å²	46.1	29%	0.285	25%	0.245	S	C	.	.			trans	-65.8	-18.8	-175.8	-81.4	165.6	-50.8	0	0	115.3	S106 T108 K532	S106-Q110 PolarHBondContact OG-N 2.84Å; S106-Q110 PolarHBondContact OG-OE1 3.03Å; T108-Q110 PolarHBondContact O-N 3.47Å; T108-Q110 VanDerWaalsContact OG1-CG 3.25Å; T108-Q110 WeakPolarHBondContact OG1-CG 3.38Å; T108-Q110 PolarHBondContact OG1-OE1 3.28Å; Q110-K532 WeakPolarHBondContact O-CB 3.28Å; Q110-K532 WeakPolarHBondContact O-CG 3.42Å
111	Y	97.5	Very high	96.3	Very high	5 Å²	5	44 Å²	44	2%	0.02	24%	0.236	C	C	.	.	S	Bend	trans	-150.1	165.3	-175.1	52.2	-106.8	0	0	0	112.2	T104 R109 Q113 Y475 K532 T535	T104-Y111 WeakPolarHBondContact O-CE2 3.34Å; T104-Y111 PolarHBondContact O-OH 3.2Å; R109-Y111 PolarHBondContact O-N 2.88Å; Y111-Q113 VanDerWaalsContact C-N 3.26Å; Y111-Q113 PolarHBondContact O-N 2.83Å; Y111-Y475 HydrophobicContact CD1-CD2 4.1Å; Y111-Y475 HydrophobicContact CD1-CG 4.42Å; Y111-Y475 HydrophobicContact CD2-CD2 4.3Å; Y111-Y475 AromaticContact CG-CD2 3.89Å; Y111-Y475 HydrophobicContact CG-CD2 3.89Å; Y111-K532 CarbonylContact C-O 3.47Å; Y111-T535 WeakPolarHBondContact CA-OG1 3.49Å
112	C	97.4	Very high	96.2	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.236	C	C	.	.			trans	57.3	27.9	172.2	-51.6	0	0	0	0	114.7	A114 M115 D118 C120 K532 T535	C112-A114 VanDerWaalsContact C-N 3.27Å; C112-A114 PolarHBondContact O-N 2.93Å; C112-M115 HydrophobicContact CB-CB 4.47Å; C112-M115 HydrophobicContact CB-SD 3.95Å; C112-M115 WeakPolarHBondContact O-CB 3.38Å; C112-M115 PolarHBondContact O-N 3.32Å; C112-D118 WeakPolarHBondContact O-CA 3.48Å; C112-C120 HydrophobicContact CB-CB 4.21Å; C112-C120 WeakPolarHBondContact CB-SG 3.38Å; C112-C120 WeakPolarHBondContact SG-CB 3.26Å; C112-C120 CovalentContact SG-SG 2.03Å; C112-C120 PolarHBondContact SG-SG 3.09Å; C112-K532 PolarHBondContact N-O 3.02Å; C112-T535 PolarHBondContact N-OG1 3.43Å
113	Q	97.2	Very high	96.2	Very high	51 Å²	51	40.8 Å²	40.8	24%	0.238	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-28.8	-171.8	-49.9	169.1	-1.5	0	0	113.1	R109 Y111 M115 R426 K532 E533	R109-Q113 WeakPolarHBondContact O-CG 3.21Å; R109-Q113 PolarHBondContact O-NE2 2.98Å; Y111-Q113 VanDerWaalsContact C-N 3.26Å; Y111-Q113 PolarHBondContact O-N 2.83Å; Q113-M115 PolarHBondContact O-N 2.77Å; Q113-R426 PolarHBondContact O-NE 2.93Å; Q113-R426 VanDerWaalsContact O-NE 3.16Å; Q113-K532 WeakPolarHBondContact CG-O 3.49Å; Q113-K532 PolarHBondContact N-O 3.28Å; Q113-E533 PolarHBondContact N-O 2.89Å; Q113-E533 VanDerWaalsContact N-O 3.13Å
114	A	97.5	Very high	96.2	Very high	2 Å²	2	42.9 Å²	42.9	2%	0.017	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-11.9	176.2	0	0	0	0	0	113.5	C112 L425 R426 F429 E533	C112-A114 VanDerWaalsContact C-N 3.27Å; C112-A114 PolarHBondContact O-N 2.93Å; A114-L425 HydrophobicContact CB-CD2 4.3Å; A114-R426 WeakPolarHBondContact O-CB 3.43Å; A114-R426 VanDerWaalsContact O-CG 3.23Å; A114-R426 WeakPolarHBondContact O-CG 3.21Å; A114-R426 PolarHBondContact O-N 3.18Å; A114-F429 HydrophobicContact CB-CD1 3.98Å; A114-F429 HydrophobicContact CB-CD2 3.74Å; A114-F429 HydrophobicContact CB-CE1 3.92Å; A114-F429 HydrophobicContact CB-CE2 3.71Å; A114-F429 HydrophobicContact CB-CG 3.88Å; A114-F429 HydrophobicContact CB-CZ 3.8Å; A114-E533 HydrophobicContact CB-CG 4.17Å; A114-E533 WeakPolarHBondContact CB-O 3.47Å; A114-E533 PolarHBondContact N-O 3.47Å
115	M	97.7	Very high	96.2	Very high	4 Å²	4	41.6 Å²	41.6	2%	0.02	22%	0.224	C	C	.	.	B	Isolated β-bridge	trans	-93.8	153.3	-175.6	-66	73.1	178.2	0	0	111.9	C112 Q113 G117 D118 R119 L423 N424 L425 R426 F534 T535	C112-M115 HydrophobicContact CB-CB 4.47Å; C112-M115 HydrophobicContact CB-SD 3.95Å; C112-M115 WeakPolarHBondContact O-CB 3.38Å; C112-M115 PolarHBondContact O-N 3.32Å; Q113-M115 PolarHBondContact O-N 2.77Å; M115-G117 PolarHBondContact O-N 3.13Å; M115-D118 PolarHBondContact O-N 3.31Å; M115-R119 WeakPolarHBondContact CB-O 3.36Å; M115-L423 WeakPolarHBondContact CG-O 3.26Å; M115-N424 CarbonylContact C-O 3.57Å; M115-N424 WeakPolarHBondContact CA-O 3.47Å; M115-N424 HydrophobicContact CB-CB 4.3Å; M115-N424 WeakPolarHBondContact CB-O 3.4Å; M115-N424 HydrophobicContact CG-CB 4.35Å; M115-L425 HydrophobicContact CE-CD2 4.06Å; M115-L425 HydrophobicContact SD-CD2 4.45Å; M115-R426 VanDerWaalsContact O-CZ 3.22Å; M115-R426 PolarHBondContact O-NE 3.14Å; M115-R426 PolarHBondContact O-NH2 3.09Å; M115-F534 HydrophobicContact CE-CD2 3.44Å; M115-F534 VanDerWaalsContact CE-CD2 3.44Å; M115-F534 HydrophobicContact CE-CE2 3.6Å; M115-T535 WeakPolarHBondContact CE-O 3.45Å
116	K	97.6	Very high	96.3	Very high	95 Å²	95	41.9 Å²	41.9	41%	0.413	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-62.1	122.5	179.7	-61.4	177.7	-180	-175.8	0	109.8	D118 N424 L425 R426 D427	K116-D118 VanDerWaalsContact C-N 3.27Å; K116-D118 PolarHBondContact O-N 3.39Å; K116-N424 WeakPolarHBondContact CB-OD1 3.44Å; K116-N424 PolarHBondContact N-O 3.03Å; K116-N424 PolarHBondContact O-ND2 3.46Å; K116-L425 VanDerWaalsContact CE-O 3.27Å; K116-L425 WeakPolarHBondContact CE-O 3.2Å; K116-R426 HydrophobicContact CG-CG 4.23Å; K116-D427 WeakPolarHBondContact CE-OD1 3.16Å; K116-D427 IonicContact NZ-OD1 3.46Å; K116-D427 PolarHBondContact NZ-OD1 3.46Å
117	G	97	Very high	96.5	Very high	44 Å²	44	41 Å²	41	45%	0.454	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	74.2	13.4	-178.7	0	0	0	0	0	114.8	M115 R119	M115-G117 PolarHBondContact O-N 3.13Å; G117-R119 VanDerWaalsContact C-N 3.27Å; G117-R119 WeakPolarHBondContact O-CG 3.48Å; G117-R119 PolarHBondContact O-N 3Å
118	D	96.9	Very high	96.9	Very high	18 Å²	18	35.1 Å²	35.1	10%	0.096	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	58.2	39.4	-174.7	-59.7	-6.4	0	0	0	112.4	P105 R109 C112 M115 K116 R426	P105-D118 HydrophobicContact CB-CB 4.36Å; R109-D118 IonicContact CZ-OD2 3.63Å; R109-D118 VanDerWaalsContact CZ-OD2 3.25Å; R109-D118 IonicContact NE-OD2 3.2Å; R109-D118 PolarHBondContact NE-OD2 3.08Å; R109-D118 IonicContact NH2-OD1 2.83Å; R109-D118 PolarHBondContact NH2-OD1 3.39Å; R109-D118 IonicContact NH2-OD2 2.73Å; R109-D118 PolarHBondContact NH2-OD2 2.98Å; C112-D118 WeakPolarHBondContact O-CA 3.48Å; M115-D118 PolarHBondContact O-N 3.31Å; K116-D118 VanDerWaalsContact C-N 3.27Å; K116-D118 PolarHBondContact O-N 3.39Å; D118-R426 IonicContact OD1-CZ 2.82Å; D118-R426 IonicContact OD1-NE 3.3Å; D118-R426 IonicContact OD1-NH2 3.11Å; D118-R426 PolarHBondContact OD1-NH2 2.97Å
119	R	97.2	Very high	97.1	Very high	87 Å²	87	30.8 Å²	30.8	33%	0.328	15%	0.146	S	C	.	.			trans	-125.8	125.5	-177	-64.6	174.6	-177.4	-97.3	6.3	110.7	T103 P105 M115 G117 N424	T103-R119 WeakPolarHBondContact O-CG 3.32Å; T103-R119 PolarHBondContact O-NH1 3.37Å; P105-R119 HydrophobicContact CB-CG 4.45Å; M115-R119 WeakPolarHBondContact CB-O 3.36Å; G117-R119 VanDerWaalsContact C-N 3.27Å; G117-R119 WeakPolarHBondContact O-CG 3.48Å; G117-R119 PolarHBondContact O-N 3Å; R119-N424 PolarHBondContact O-ND2 3.03Å
120	C	97.2	Very high	97.4	Very high	4 Å²	4	24.8 Å²	24.8	3%	0.027	13%	0.125	C	C	.	.			trans	-81.1	141.1	168.5	-72	0	0	0	0	109.6	Q102 T103 C112	Q102-C120 WeakPolarHBondContact CA-O 3.46Å; T103-C120 HydrophobicContact CG2-CB 4.04Å; T103-C120 PolarHBondContact N-O 3.24Å; T103-C120 PolarHBondContact OG1-N 3.14Å; C112-C120 HydrophobicContact CB-CB 4.21Å; C112-C120 WeakPolarHBondContact CB-SG 3.38Å; C112-C120 WeakPolarHBondContact SG-CB 3.26Å; C112-C120 CovalentContact SG-SG 2.03Å; C112-C120 PolarHBondContact SG-SG 3.09Å
121	F	97.2	Very high	97.5	Very high	28 Å²	28	23.1 Å²	23.1	12%	0.123	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	140.3	166.8	-70.6	-6	0	0	0	109.6	L94 Q102 K421 I422 N424 Y539	L94-F121 HydrophobicContact CD1-CD2 4.42Å; L94-F121 HydrophobicContact CD1-CE2 3.99Å; L94-F121 HydrophobicContact CD2-CD2 3.77Å; L94-F121 HydrophobicContact CD2-CE2 3.71Å; L94-F121 HydrophobicContact CG-CE2 4.45Å; Q102-F121 HydrophobicContact CG-CD1 3.75Å; Q102-F121 HydrophobicContact CG-CE1 3.95Å; F121-K421 WeakPolarHBondContact CE2-O 3.38Å; F121-I422 VanDerWaalsContact CD2-O 3.28Å; F121-I422 WeakPolarHBondContact CD2-O 3.39Å; F121-N424 HydrophobicContact CD1-CB 3.67Å; F121-N424 HydrophobicContact CD2-CB 3.79Å; F121-N424 HydrophobicContact CE1-CB 3.53Å; F121-N424 WeakPolarHBondContact CE1-ND2 3.21Å; F121-N424 WeakPolarHBondContact CE1-OD1 3.27Å; F121-N424 HydrophobicContact CE2-CB 3.65Å; F121-N424 HydrophobicContact CG-CB 3.81Å; F121-N424 HydrophobicContact CZ-CB 3.54Å; F121-N424 WeakPolarHBondContact CZ-OD1 3.49Å; F121-Y539 WeakPolarHBondContact O-CE1 3.3Å
122	W	96.4	Very high	97.6	Very high	2 Å²	2	23 Å²	23	1%	0.008	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	70.9	179.4	-91.7	33.5	0	0	0	108.6	Y101 T103 R124 L302 M336 D338 I471 P473 Y475 P541	Y101-W122 WeakPolarHBondContact CB-O 3.07Å; Y101-W122 PolarHBondContact O-N 3.13Å; T103-W122 HydrophobicContact CG2-CD2 4.13Å; T103-W122 HydrophobicContact CG2-CG 4Å; T103-W122 HydrophobicContact CG2-CZ2 4.49Å; W122-R124 PolarHBondContact O-N 2.79Å; W122-L302 HydrophobicContact CE3-CD1 3.8Å; W122-L302 HydrophobicContact CE3-CD2 4.19Å; W122-L302 HydrophobicContact CZ3-CD1 4.24Å; W122-L302 HydrophobicContact CZ3-CD2 3.77Å; W122-M336 HydrophobicContact CH2-CE 3.44Å; W122-M336 VanDerWaalsContact CH2-CE 3.44Å; W122-M336 HydrophobicContact CH2-CG 4.43Å; W122-M336 HydrophobicContact CH2-SD 3.7Å; W122-M336 HydrophobicContact CZ2-CE 4.33Å; W122-M336 HydrophobicContact CZ3-CE 3.92Å; W122-M336 HydrophobicContact CZ3-SD 3.63Å; W122-D338 HydrophobicContact CH2-CB 4.19Å; W122-D338 HydrophobicContact CZ2-CB 4.13Å; W122-I471 HydrophobicContact CD2-CG2 4.06Å; W122-I471 HydrophobicContact CE3-CD1 4.4Å; W122-I471 HydrophobicContact CE3-CG2 3.48Å; W122-I471 VanDerWaalsContact CE3-CG2 3.48Å; W122-I471 HydrophobicContact CH2-CG2 3.95Å; W122-I471 HydrophobicContact CZ2-CG2 4.43Å; W122-I471 HydrophobicContact CZ3-CG2 3.4Å; W122-P473 HydrophobicContact CH2-CG 4.4Å; W122-P473 HydrophobicContact CZ2-CB 4.08Å; W122-P473 HydrophobicContact CZ2-CG 3.81Å; W122-Y475 AromaticContact CZ2-CZ 3.88Å; W122-Y475 WeakPolarHBondContact CZ2-OH 3.49Å; W122-Y475 PolarHBondContact NE1-OH 3.2Å; W122-Y475 VanDerWaalsContact NE1-OH 3.13Å; W122-P541 HydrophobicContact CE3-CB 4.41Å; W122-P541 HydrophobicContact CH2-CB 4.15Å; W122-P541 HydrophobicContact CZ3-CB 3.71Å; W122-P541 HydrophobicContact CZ3-CG 4.28Å
123	P	96.7	Very high	97.6	Very high	10 Å²	10	23 Å²	23	7%	0.065	12%	0.12	C	C	.	.			trans	-57.3	135.1	-179.2	27.2	-38.1	0	0	0	111.2	Q93 D98 Y539	Q93-P123 HydrophobicContact CB-CB 4.35Å; Q93-P123 HydrophobicContact CG-CB 3.81Å; Q93-P123 HydrophobicContact CG-CG 4.12Å; D98-P123 WeakPolarHBondContact OD1-CA 3.41Å; P123-Y539 HydrophobicContact CG-CD1 3.9Å; P123-Y539 HydrophobicContact CG-CD2 3.56Å; P123-Y539 HydrophobicContact CG-CE1 3.8Å; P123-Y539 HydrophobicContact CG-CE2 3.43Å; P123-Y539 VanDerWaalsContact CG-CE2 3.43Å; P123-Y539 HydrophobicContact CG-CG 3.76Å
124	R	97.5	Very high	97.5	Very high	44 Å²	44	21.1 Å²	21.1	17%	0.166	11%	0.111	C	C	.	.			trans	-138	135.4	175.3	-62	-58.1	-59.2	172.3	-3.1	109.2	D98 W99 Y101 W122 K126 S131 L302 Y539	D98-R124 CarbonylContact C-O 3.44Å; D98-R124 WeakPolarHBondContact CA-O 3.33Å; D98-R124 PolarHBondContact OD1-N 3.5Å; W99-R124 HydrophobicContact CB-CB 4.26Å; W99-R124 VanDerWaalsContact CD1-O 3.27Å; W99-R124 HydrophobicContact CG-CB 4.43Å; W99-R124 PolarHBondContact N-O 3.17Å; Y101-R124 HydrophobicContact CD2-CB 4.08Å; Y101-R124 HydrophobicContact CD2-CG 3.7Å; Y101-R124 HydrophobicContact CE2-CB 4.21Å; Y101-R124 HydrophobicContact CE2-CG 4.12Å; W122-R124 PolarHBondContact O-N 2.79Å; R124-K126 PolarHBondContact O-N 3.3Å; R124-S131 VanDerWaalsContact CZ-OG 3.3Å; R124-S131 PolarHBondContact NE-OG 2.92Å; R124-S131 PolarHBondContact NH2-OG 2.85Å; R124-L302 HydrophobicContact CG-CD1 3.88Å; R124-Y539 PolarHBondContact NH1-O 3.39Å
125	G	98	Very high	97.4	Very high	10 Å²	10	22.9 Å²	22.9	10%	0.103	12%	0.12	C	C	.	.	B	Isolated β-bridge	trans	-61.2	125.4	179.3	0	0	0	0	0	113.3	L97 W99 S131	L97-G125 CarbonylContact O-C 3.14Å; L97-G125 WeakPolarHBondContact O-CA 3.16Å; W99-G125 PolarHBondContact NE1-O 3.33Å; G125-S131 PolarHBondContact N-OG 3.14Å; G125-S131 VanDerWaalsContact N-OG 3.12Å
126	K	98.3	Very high	97.3	Very high	52 Å²	52	24.4 Å²	24.4	23%	0.226	13%	0.134	C	C	.	.			trans	-114.1	67.8	168.2	-170.6	-175.8	179.9	-173.8	0	108	A75 G76 L97 W99 R124	A75-K126 HydrophobicContact CB-CG 4.46Å; G76-K126 VanDerWaalsContact CA-O 3.27Å; G76-K126 WeakPolarHBondContact CA-O 3.39Å; L97-K126 PolarHBondContact O-N 2.74Å; W99-K126 HydrophobicContact CD2-CB 4.03Å; W99-K126 HydrophobicContact CD2-CD 3.94Å; W99-K126 HydrophobicContact CD2-CG 4.02Å; W99-K126 HydrophobicContact CE3-CD 3.94Å; W99-K126 HydrophobicContact CE3-CG 4.48Å; W99-K126 HydrophobicContact CG-CB 4Å; W99-K126 HydrophobicContact CH2-CD 4.11Å; W99-K126 HydrophobicContact CH2-CG 4.28Å; W99-K126 HydrophobicContact CZ2-CB 4.45Å; W99-K126 HydrophobicContact CZ2-CD 4.1Å; W99-K126 HydrophobicContact CZ2-CG 3.79Å; W99-K126 HydrophobicContact CZ3-CD 4.02Å; R124-K126 PolarHBondContact O-N 3.3Å
127	V	98.4	Very high	97.3	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.114	C	C	.	.	B	Isolated β-bridge	trans	-164.9	153	-171.4	58.2	0	0	0	0	108.5	E74 G77 E79 L97 G129 G130 V133 L134	E74-V127 PolarHBondContact OE1-N 3.12Å; G77-V127 CarbonylContact O-C 3.39Å; G77-V127 WeakPolarHBondContact O-CA 3.28Å; G77-V127 WeakPolarHBondContact O-CG2 3.19Å; E79-V127 HydrophobicContact CG-CG2 4.17Å; L97-V127 HydrophobicContact CB-CB 4.5Å; L97-V127 HydrophobicContact CD2-CB 3.95Å; L97-V127 HydrophobicContact CD2-CG2 3.82Å; V127-G129 PolarHBondContact O-N 3.32Å; V127-G130 VanDerWaalsContact O-CA 3.25Å; V127-G130 WeakPolarHBondContact O-CA 3.49Å; V127-G130 PolarHBondContact O-N 3.42Å; V127-V133 HydrophobicContact CG1-CB 3.69Å; V127-V133 HydrophobicContact CG1-CG1 3.91Å; V127-V133 HydrophobicContact CG1-CG2 3.83Å; V127-V133 HydrophobicContact CG2-CG1 4.49Å; V127-L134 HydrophobicContact CG1-CD1 3.87Å
128	L	98.5	Very high	97.3	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	126.9	169.4	-174.3	64.1	0	0	0	110.4	V34 L72 E74 G77 V133 I247 V258 L260	V34-L128 HydrophobicContact CB-CD2 4.45Å; V34-L128 HydrophobicContact CG1-CD2 3.69Å; V34-L128 HydrophobicContact CG2-CD2 3.86Å; L72-L128 HydrophobicContact CD2-CD1 3.86Å; E74-L128 HydrophobicContact CG-CB 4.44Å; G77-L128 PolarHBondContact O-N 2.71Å; L128-V133 WeakPolarHBondContact O-CG2 3.4Å; L128-I247 HydrophobicContact CD1-CG1 4.23Å; L128-I247 HydrophobicContact CD1-CG2 4.4Å; L128-I247 HydrophobicContact CD2-CG2 3.99Å; L128-V258 HydrophobicContact CD1-CG1 4.32Å; L128-V258 HydrophobicContact CD2-CG1 4.48Å; L128-L260 HydrophobicContact CB-CD2 4.2Å; L128-L260 HydrophobicContact CD2-CD2 4.47Å
129	G	98.1	Very high	97.4	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	94.4	-13.2	-166.2	0	0	0	0	0	113.6	G51 V127 S132 T242	G51-G129 CarbonylContact O-C 3.47Å; G51-G129 WeakPolarHBondContact O-CA 3.34Å; G51-G129 PolarHBondContact O-N 2.88Å; V127-G129 PolarHBondContact O-N 3.32Å; G129-S132 WeakPolarHBondContact O-CB 3.22Å; G129-S132 PolarHBondContact O-N 3.25Å; G129-S132 PolarHBondContact O-OG 2.86Å; G129-T242 WeakPolarHBondContact CA-OG1 3.43Å; G129-T242 PolarHBondContact O-OG1 2.88Å
130	G	98.2	Very high	97.4	Very high	4 Å²	4	13.3 Å²	13.3	4%	0.041	8%	0.075	C	C	.	.	G	3₁₀ helix	trans	53.6	-135.1	176	0	0	0	0	0	113.2	V127 S132 V133	V127-G130 VanDerWaalsContact O-CA 3.25Å; V127-G130 WeakPolarHBondContact O-CA 3.49Å; V127-G130 PolarHBondContact O-N 3.42Å; G130-S132 PolarHBondContact O-N 3.22Å; G130-V133 WeakPolarHBondContact O-CB 3.39Å; G130-V133 PolarHBondContact O-N 3.31Å; G130-V133 VanDerWaalsContact O-N 3.08Å
131	S	98.1	Very high	97.4	Very high	25 Å²	25	13.2 Å²	13.2	18%	0.175	7%	0.074	C	C	.	.	G	3₁₀ helix	trans	-69.7	-13.6	-175.5	-56.3	0	0	0	0	113.5	R124 G125 V133 L134 N135	R124-S131 VanDerWaalsContact CZ-OG 3.3Å; R124-S131 PolarHBondContact NE-OG 2.92Å; R124-S131 PolarHBondContact NH2-OG 2.85Å; G125-S131 PolarHBondContact N-OG 3.14Å; G125-S131 VanDerWaalsContact N-OG 3.12Å; S131-V133 PolarHBondContact O-N 2.91Å; S131-L134 PolarHBondContact O-N 3.44Å; S131-L134 VanDerWaalsContact O-N 3.14Å; S131-N135 WeakPolarHBondContact O-CB 3.08Å; S131-N135 PolarHBondContact O-N 3.16Å
132	S	98.1	Very high	97.3	Very high	2 Å²	2	12.1 Å²	12.1	1%	0.014	7%	0.071	C	C	.	.	G	3₁₀ helix	trans	-66.2	-16.9	171	72.7	0	0	0	0	113.2	G129 G130 N135 R239 T242	G129-S132 WeakPolarHBondContact O-CB 3.22Å; G129-S132 PolarHBondContact O-N 3.25Å; G129-S132 PolarHBondContact O-OG 2.86Å; G130-S132 PolarHBondContact O-N 3.22Å; S132-N135 PolarHBondContact O-OD1 3.35Å; S132-R239 PolarHBondContact O-NH1 3.4Å; S132-T242 PolarHBondContact OG-N 3.31Å; S132-T242 PolarHBondContact OG-OG1 2.85Å
133	V	97.8	Very high	97.4	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.071	C	C	.	.	G	3₁₀ helix	trans	-80.5	-28.3	173.8	-178.6	0	0	0	0	112	E79 L92 V127 L128 G130 S131 R239	E79-V133 HydrophobicContact CG-CG1 3.97Å; E79-V133 HydrophobicContact CG-CG2 3.68Å; L92-V133 WeakPolarHBondContact CD1-O 3.45Å; V127-V133 HydrophobicContact CG1-CB 3.69Å; V127-V133 HydrophobicContact CG1-CG1 3.91Å; V127-V133 HydrophobicContact CG1-CG2 3.83Å; V127-V133 HydrophobicContact CG2-CG1 4.49Å; L128-V133 WeakPolarHBondContact O-CG2 3.4Å; G130-V133 WeakPolarHBondContact O-CB 3.39Å; G130-V133 PolarHBondContact O-N 3.31Å; G130-V133 VanDerWaalsContact O-N 3.08Å; S131-V133 PolarHBondContact O-N 2.91Å; V133-R239 WeakPolarHBondContact O-CD 3.49Å; V133-R239 PolarHBondContact O-NE 2.87Å; V133-R239 VanDerWaalsContact O-NE 3.09Å; V133-R239 PolarHBondContact O-NH1 3.1Å
134	L	94.9	Very high	97.4	Very high	12 Å²	12	15.6 Å²	15.6	6%	0.063	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.3	-18.9	-173.7	-71.6	73.9	0	0	0	114	L92 L97 D98 V127 S131	L92-L134 HydrophobicContact CB-CG 4.08Å; L97-L134 HydrophobicContact CB-CD1 4.4Å; D98-L134 HydrophobicContact CB-CD2 3.93Å; V127-L134 HydrophobicContact CG1-CD1 3.87Å; S131-L134 PolarHBondContact O-N 3.44Å; S131-L134 VanDerWaalsContact O-N 3.14Å
135	N	96	Very high	97.4	Very high	39 Å²	39	15 Å²	15	21%	0.209	9%	0.085	C	C	.	.	S	Bend	trans	-71.4	175.4	-173.5	72.5	10.1	0	0	0	113.4	S131 S132 M137 R239	S131-N135 WeakPolarHBondContact O-CB 3.08Å; S131-N135 PolarHBondContact O-N 3.16Å; S132-N135 PolarHBondContact O-OD1 3.35Å; N135-M137 PolarHBondContact O-N 3.11Å; N135-M137 WeakPolarHBondContact OD1-CA 3.47Å; N135-M137 PolarHBondContact OD1-N 3.14Å; N135-R239 VanDerWaalsContact O-CZ 3.25Å; N135-R239 PolarHBondContact O-NH1 2.6Å; N135-R239 PolarHBondContact O-NH2 3.27Å; N135-R239 PolarHBondContact OD1-NH1 2.87Å
136	A	95.4	Very high	97.4	Very high	36 Å²	36	14.6 Å²	14.6	30%	0.298	8%	0.081	S	C	.	.			trans	-82.1	17.7	176.5	0	0	0	0	0	114.5	V138 S380 V382	A136-V138 HydrophobicContact CB-CG2 4.21Å; A136-V138 PolarHBondContact O-N 3.49Å; A136-S380 WeakPolarHBondContact O-CB 3.36Å; A136-V382 HydrophobicContact CB-CG2 4.32Å
137	M	97.1	Very high	97.4	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.07	C	C	.	.			trans	60	-4.3	179.6	-67.4	151.4	-69.9	0	0	117.3	P86 N135 Y139 S232 T233 I234 R239 S380	P86-M137 HydrophobicContact CB-CE 3.55Å; P86-M137 HydrophobicContact CB-SD 3.9Å; P86-M137 HydrophobicContact CG-CE 4.34Å; P86-M137 HydrophobicContact CG-SD 4.03Å; N135-M137 PolarHBondContact O-N 3.11Å; N135-M137 WeakPolarHBondContact OD1-CA 3.47Å; N135-M137 PolarHBondContact OD1-N 3.14Å; M137-Y139 PolarHBondContact O-N 3.08Å; M137-S232 CarbonylContact O-C 3.01Å; M137-S232 VanDerWaalsContact O-CA 3.29Å; M137-S232 WeakPolarHBondContact O-CA 3.28Å; M137-T233 WeakPolarHBondContact CA-OG1 3.45Å; M137-T233 PolarHBondContact O-N 2.58Å; M137-T233 PolarHBondContact O-OG1 3.44Å; M137-I234 HydrophobicContact SD-CD1 4.37Å; M137-I234 HydrophobicContact SD-CG1 3.96Å; M137-R239 HydrophobicContact CG-CG 4.11Å; M137-R239 HydrophobicContact SD-CB 3.81Å; M137-R239 HydrophobicContact SD-CG 3.99Å; M137-S380 VanDerWaalsContact CE-CB 3.48Å
138	V	97.6	Very high	97.4	Very high	5 Å²	5	15.4 Å²	15.4	3%	0.03	9%	0.088	C	C	.	.	B	Isolated β-bridge	trans	-49.2	120.9	177.4	-179.2	0	0	0	0	110.9	A136 V140 T230 V382 V385 N584	A136-V138 HydrophobicContact CB-CG2 4.21Å; A136-V138 PolarHBondContact O-N 3.49Å; V138-V140 HydrophobicContact CG1-CG2 3.77Å; V138-T230 HydrophobicContact CB-CG2 4.25Å; V138-T230 HydrophobicContact CG1-CG2 4.16Å; V138-T230 HydrophobicContact CG2-CG2 3.93Å; V138-V382 HydrophobicContact CG2-CB 3.95Å; V138-V382 HydrophobicContact CG2-CG1 4.2Å; V138-V382 HydrophobicContact CG2-CG2 4.14Å; V138-V385 HydrophobicContact CG1-CG1 4.24Å; V138-N584 HydrophobicContact CG1-CB 4.34Å; V138-N584 WeakPolarHBondContact CG1-OD1 3.38Å
139	Y	98	Very high	97.4	Very high	5 Å²	5	18.2 Å²	18.2	2%	0.02	10%	0.101	C	C	.	.			trans	-104.8	106	178.8	-176.7	-95.7	0	0	0	109.9	M137 R141 E171 L190 V192 N220 Q231 T233 A587	M137-Y139 PolarHBondContact O-N 3.08Å; Y139-R141 HydrophobicContact CE1-CG 4.2Å; Y139-R141 PolarHBondContact OH-NE 3.06Å; Y139-E171 WeakPolarHBondContact CE1-OE1 3.39Å; Y139-E171 VanDerWaalsContact CZ-OE1 3.32Å; Y139-E171 PolarHBondContact OH-OE1 3.26Å; Y139-L190 HydrophobicContact CD2-CD2 4.22Å; Y139-L190 HydrophobicContact CE2-CD2 3.87Å; Y139-V192 HydrophobicContact CD1-CB 4.5Å; Y139-V192 HydrophobicContact CD1-CG1 3.54Å; Y139-V192 HydrophobicContact CD1-CG2 4.13Å; Y139-V192 HydrophobicContact CD2-CG1 4.43Å; Y139-V192 HydrophobicContact CD2-CG2 3.73Å; Y139-V192 HydrophobicContact CE1-CG1 3.95Å; Y139-V192 HydrophobicContact CE1-CG2 4.06Å; Y139-V192 HydrophobicContact CE2-CG2 3.69Å; Y139-V192 HydrophobicContact CG-CG1 3.79Å; Y139-V192 HydrophobicContact CG-CG2 3.94Å; Y139-N220 PolarHBondContact O-ND2 2.98Å; Y139-Q231 WeakPolarHBondContact CB-O 3.45Å; Y139-Q231 HydrophobicContact CD1-CB 4.47Å; Y139-Q231 PolarHBondContact N-O 2.69Å; Y139-T233 HydrophobicContact CD2-CG2 3.95Å; Y139-A587 HydrophobicContact CD2-CB 3.66Å; Y139-A587 HydrophobicContact CE2-CB 3.41Å; Y139-A587 VanDerWaalsContact CE2-CB 3.41Å; Y139-A587 HydrophobicContact CG-CB 4.47Å
140	V	98	Very high	97.5	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.006	10%	0.101	C	C	.	.			trans	-135.7	131.6	177.2	173	0	0	0	0	108	V138 I219 N220 F387 N584 P588	V138-V140 HydrophobicContact CG1-CG2 3.77Å; V140-I219 HydrophobicContact CB-CD1 4.06Å; V140-I219 HydrophobicContact CG1-CD1 3.62Å; V140-I219 HydrophobicContact CG2-CD1 3.77Å; V140-N220 WeakPolarHBondContact CA-OD1 3.32Å; V140-F387 HydrophobicContact CG1-CZ 3.79Å; V140-F387 HydrophobicContact CG2-CE2 4.41Å; V140-F387 HydrophobicContact CG2-CZ 4.13Å; V140-N584 HydrophobicContact CB-CB 4.24Å; V140-P588 WeakPolarHBondContact O-CD 3.4Å
141	R	97.3	Very high	97.5	Very high	2 Å²	2	19.3 Å²	19.3	1%	0.008	11%	0.109	C	C	.	.			trans	-87.7	-15.5	179.7	-61.7	178	-174.3	161.8	-9	113.4	Y139 Y147 F167 E171 Y183 H184 N220 P588	Y139-R141 HydrophobicContact CE1-CG 4.2Å; Y139-R141 PolarHBondContact OH-NE 3.06Å; R141-Y147 WeakPolarHBondContact O-CE2 3.49Å; R141-Y147 PolarHBondContact O-OH 3.42Å; R141-F167 HydrophobicContact CB-CD1 4.1Å; R141-F167 HydrophobicContact CB-CD2 4.47Å; R141-F167 HydrophobicContact CB-CE1 3.9Å; R141-F167 HydrophobicContact CB-CE2 4.31Å; R141-F167 HydrophobicContact CB-CG 4.39Å; R141-F167 HydrophobicContact CB-CZ 4.05Å; R141-F167 HydrophobicContact CG-CB 4.47Å; R141-F167 HydrophobicContact CG-CD1 3.61Å; R141-F167 HydrophobicContact CG-CD2 4.47Å; R141-F167 HydrophobicContact CG-CE1 3.88Å; R141-F167 HydrophobicContact CG-CG 3.95Å; R141-F167 HydrophobicContact CG-CZ 4.46Å; R141-E171 IonicContact CZ-OE1 2.64Å; R141-E171 IonicContact NE-OE1 2.68Å; R141-E171 IonicContact NH2-OE1 3.11Å; R141-E171 PolarHBondContact NH2-OE1 3.22Å; R141-E171 IonicContact NH2-OE2 2.74Å; R141-E171 PolarHBondContact NH2-OE2 2.71Å; R141-Y183 PolarHBondContact NH1-O 3.49Å; R141-Y183 PolarHBondContact NH2-O 3.37Å; R141-H184 PolarHBondContact NH2-ND1 3.01Å; R141-N220 HydrophobicContact CG-CB 4.4Å; R141-N220 PolarHBondContact N-OD1 3.34Å; R141-N220 PolarHBondContact NH1-O 3.44Å; R141-P588 WeakPolarHBondContact O-CG 3.39Å
142	G	96.1	Very high	97.5	Very high	6 Å²	6	22.4 Å²	22.4	6%	0.062	13%	0.131	C	C	.	.			trans	89.5	176	-171.5	0	0	0	0	0	112.5	N582	G142-N582 WeakPolarHBondContact CA-O 3.39Å
143	S	96.8	Very high	97.5	Very high	2 Å²	2	24.7 Å²	24.7	1%	0.014	14%	0.143	C	C	.	.			trans	-80.8	147.2	178.8	-174.7	0	0	0	0	110.8	N145 D146 Y147 Q224 D398	S143-N145 PolarHBondContact O-N 3.35Å; S143-N145 VanDerWaalsContact O-N 3.13Å; S143-N145 PolarHBondContact OG-N 3.05Å; S143-D146 WeakPolarHBondContact CB-OD2 3.42Å; S143-D146 PolarHBondContact N-OD2 3.3Å; S143-D146 WeakPolarHBondContact O-CB 3.37Å; S143-D146 PolarHBondContact O-N 3.01Å; S143-Y147 WeakPolarHBondContact O-CD2 3.05Å; S143-Q224 VanDerWaalsContact CB-OE1 3.31Å; S143-D398 PolarHBondContact OG-O 3.49Å
144	K	97.3	Very high	97.5	Very high	83 Å²	83	25.9 Å²	25.9	36%	0.361	16%	0.155	S	C	.	.	H	α-helix	trans	-52.9	-32	166	67.3	-176.1	179.8	-172.2	0	112.6	D146 Y147 N148 Y160	K144-D146 VanDerWaalsContact C-N 3.29Å; K144-D146 PolarHBondContact O-N 2.79Å; K144-Y147 PolarHBondContact O-N 3.17Å; K144-N148 WeakPolarHBondContact O-CB 3.5Å; K144-N148 VanDerWaalsContact O-CG 3.24Å; K144-N148 PolarHBondContact O-N 3.37Å; K144-N148 PolarHBondContact O-ND2 3.44Å; K144-Y160 HydrophobicContact CB-CD1 3.72Å; K144-Y160 HydrophobicContact CB-CD2 3.71Å; K144-Y160 HydrophobicContact CB-CE1 4.17Å; K144-Y160 HydrophobicContact CB-CE2 4.17Å; K144-Y160 HydrophobicContact CB-CG 3.44Å; K144-Y160 VanDerWaalsContact CB-CG 3.44Å
145	N	97.7	Very high	97.7	Very high	30 Å²	30	25.3 Å²	25.3	16%	0.16	15%	0.152	C	C	.	.	H	α-helix	trans	-70.2	-25.1	-178.8	-64.4	-44.1	0	0	0	112.5	S143 H149 D398 W399	S143-N145 PolarHBondContact O-N 3.35Å; S143-N145 VanDerWaalsContact O-N 3.13Å; S143-N145 PolarHBondContact OG-N 3.05Å; N145-H149 WeakPolarHBondContact O-CB 3.44Å; N145-H149 PolarHBondContact O-N 3.32Å; N145-D398 PolarHBondContact ND2-O 2.83Å; N145-W399 HydrophobicContact CB-CB 4.28Å; N145-W399 HydrophobicContact CB-CD2 3.36Å; N145-W399 HydrophobicContact CB-CE3 3.79Å; N145-W399 HydrophobicContact CB-CG 3.6Å; N145-W399 HydrophobicContact CB-CH2 4.43Å; N145-W399 HydrophobicContact CB-CZ2 4.08Å; N145-W399 HydrophobicContact CB-CZ3 4.3Å
146	D	98.1	Very high	97.8	Very high	2 Å²	2	28.2 Å²	28.2	1%	0.011	17%	0.173	C	C	.	.	H	α-helix	trans	-64.6	-48.6	175	-57.3	-38.3	0	0	0	111.1	S143 K144 H149 W150 W399 V581 N582	S143-D146 WeakPolarHBondContact CB-OD2 3.42Å; S143-D146 PolarHBondContact N-OD2 3.3Å; S143-D146 WeakPolarHBondContact O-CB 3.37Å; S143-D146 PolarHBondContact O-N 3.01Å; K144-D146 VanDerWaalsContact C-N 3.29Å; K144-D146 PolarHBondContact O-N 2.79Å; D146-H149 WeakPolarHBondContact O-CB 3.31Å; D146-H149 PolarHBondContact O-N 3.42Å; D146-W150 PolarHBondContact O-N 2.92Å; D146-W399 PolarHBondContact OD1-NE1 2.93Å; D146-V581 HydrophobicContact CB-CB 4.47Å; D146-V581 HydrophobicContact CB-CG1 4.3Å; D146-N582 VanDerWaalsContact CG-N 3.33Å; D146-N582 PolarHBondContact OD1-N 2.75Å; D146-N582 PolarHBondContact OD1-ND2 2.97Å; D146-N582 WeakPolarHBondContact OD2-CB 3.39Å; D146-N582 PolarHBondContact OD2-N 2.77Å
147	Y	98.7	Very high	98	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-69.9	-42.9	-178.4	-60.2	-65.1	0	0	0	111.6	R141 S143 K144 H149 W150 A151 W158 Y160 M163 F167 V581 P588	R141-Y147 WeakPolarHBondContact O-CE2 3.49Å; R141-Y147 PolarHBondContact O-OH 3.42Å; S143-Y147 WeakPolarHBondContact O-CD2 3.05Å; K144-Y147 PolarHBondContact O-N 3.17Å; Y147-H149 PolarHBondContact O-N 3.41Å; Y147-W150 HydrophobicContact CD1-CD2 4.39Å; Y147-W150 AromaticContact CD1-CE3 3.78Å; Y147-W150 HydrophobicContact CD1-CE3 3.78Å; Y147-W150 HydrophobicContact CD1-CH2 4.32Å; Y147-W150 AromaticContact CD1-CZ3 3.74Å; Y147-W150 HydrophobicContact CD1-CZ3 3.74Å; Y147-W150 HydrophobicContact CE1-CE3 4.14Å; Y147-W150 AromaticContact CE1-CH2 3.86Å; Y147-W150 HydrophobicContact CE1-CH2 3.86Å; Y147-W150 AromaticContact CE1-CZ3 3.61Å; Y147-W150 HydrophobicContact CE1-CZ3 3.61Å; Y147-W150 WeakPolarHBondContact O-CB 3.49Å; Y147-W150 PolarHBondContact O-N 3.43Å; Y147-W150 VanDerWaalsContact O-N 3.12Å; Y147-A151 PolarHBondContact O-N 3.11Å; Y147-W158 CarbonylContact C-O 3.59Å; Y147-W158 WeakPolarHBondContact CA-O 3.49Å; Y147-W158 WeakPolarHBondContact CB-O 3.4Å; Y147-Y160 AromaticContact CD2-CD2 3.77Å; Y147-Y160 HydrophobicContact CD2-CD2 3.77Å; Y147-Y160 HydrophobicContact CE2-CD2 4.39Å; Y147-M163 HydrophobicContact CD1-CB 4.08Å; Y147-M163 HydrophobicContact CD1-CG 3.71Å; Y147-M163 HydrophobicContact CE1-CB 4.43Å; Y147-M163 HydrophobicContact CE1-CE 4.33Å; Y147-M163 HydrophobicContact CE1-CG 4.22Å; Y147-M163 HydrophobicContact CG-CB 4.27Å; Y147-M163 HydrophobicContact CG-CG 4.24Å; Y147-F167 HydrophobicContact CE1-CE2 4.46Å; Y147-F167 HydrophobicContact CE1-CZ 4.44Å; Y147-F167 HydrophobicContact CE2-CE2 4.13Å; Y147-F167 HydrophobicContact CE2-CZ 4.38Å; Y147-F167 AromaticContact CZ-CE2 3.87Å; Y147-F167 AromaticContact CZ-CZ 3.79Å; Y147-F167 VanDerWaalsContact OH-CZ 3.25Å; Y147-F167 WeakPolarHBondContact OH-CZ 3.48Å; Y147-V581 HydrophobicContact CE1-CG1 4.22Å; Y147-P588 WeakPolarHBondContact OH-CG 3.39Å
148	N	98.6	Very high	98	Very high	69 Å²	69	27.9 Å²	27.9	37%	0.369	17%	0.173	S	C	.	.	H	α-helix	trans	-62.2	-35.3	174.2	-67.4	-11.7	0	0	0	111.3	K144 A151 S152 Y160	K144-N148 WeakPolarHBondContact O-CB 3.5Å; K144-N148 VanDerWaalsContact O-CG 3.24Å; K144-N148 PolarHBondContact O-N 3.37Å; K144-N148 PolarHBondContact O-ND2 3.44Å; N148-A151 PolarHBondContact O-N 3.32Å; N148-S152 WeakPolarHBondContact O-CB 3.02Å; N148-S152 PolarHBondContact O-N 2.75Å; N148-Y160 PolarHBondContact OD1-N 3.27Å
149	H	98.3	Very high	98.1	Very high	59 Å²	59	29.5 Å²	29.5	27%	0.273	18%	0.181	S	C	.	.	H	α-helix	trans	-67.1	-42.3	171.8	-176.4	52.6	0	0	0	112.4	N145 D146 Y147 A151 S152 L153 W399	N145-H149 WeakPolarHBondContact O-CB 3.44Å; N145-H149 PolarHBondContact O-N 3.32Å; D146-H149 WeakPolarHBondContact O-CB 3.31Å; D146-H149 PolarHBondContact O-N 3.42Å; Y147-H149 PolarHBondContact O-N 3.41Å; H149-A151 VanDerWaalsContact C-N 3.28Å; H149-A151 PolarHBondContact O-N 3.32Å; H149-S152 WeakPolarHBondContact CA-OG 3.34Å; H149-S152 PolarHBondContact ND1-OG 3.2Å; H149-S152 PolarHBondContact O-N 3.47Å; H149-S152 VanDerWaalsContact O-N 3.12Å; H149-S152 PolarHBondContact O-OG 3.22Å; H149-L153 WeakPolarHBondContact O-CG 3.1Å; H149-L153 PolarHBondContact O-N 3.35Å; H149-W399 HydrophobicContact CB-CH2 4.09Å; H149-W399 HydrophobicContact CB-CZ2 4.42Å
150	W	98.7	Very high	98.1	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-57.1	-44.4	173.3	-65.8	-1.8	0	0	0	111.6	D146 Y147 L153 N155 W158 M577 P578 T579 V581	D146-W150 PolarHBondContact O-N 2.92Å; Y147-W150 HydrophobicContact CD1-CD2 4.39Å; Y147-W150 AromaticContact CD1-CE3 3.78Å; Y147-W150 HydrophobicContact CD1-CE3 3.78Å; Y147-W150 HydrophobicContact CD1-CH2 4.32Å; Y147-W150 AromaticContact CD1-CZ3 3.74Å; Y147-W150 HydrophobicContact CD1-CZ3 3.74Å; Y147-W150 HydrophobicContact CE1-CE3 4.14Å; Y147-W150 AromaticContact CE1-CH2 3.86Å; Y147-W150 HydrophobicContact CE1-CH2 3.86Å; Y147-W150 AromaticContact CE1-CZ3 3.61Å; Y147-W150 HydrophobicContact CE1-CZ3 3.61Å; Y147-W150 WeakPolarHBondContact O-CB 3.49Å; Y147-W150 PolarHBondContact O-N 3.43Å; Y147-W150 VanDerWaalsContact O-N 3.12Å; W150-L153 PolarHBondContact O-N 2.94Å; W150-N155 VanDerWaalsContact O-CB 3.28Å; W150-N155 WeakPolarHBondContact O-CB 3.25Å; W150-N155 PolarHBondContact O-N 3.36Å; W150-N155 PolarHBondContact O-ND2 3.32Å; W150-W158 HydrophobicContact CB-CB 4.3Å; W150-W158 HydrophobicContact CE3-CE3 4.01Å; W150-W158 HydrophobicContact CZ3-CE3 4.07Å; W150-W158 HydrophobicContact CZ3-CZ3 4.4Å; W150-M577 HydrophobicContact CH2-CB 4.3Å; W150-M577 HydrophobicContact CH2-CE 4.34Å; W150-M577 HydrophobicContact CH2-CG 3.71Å; W150-M577 HydrophobicContact CH2-SD 4.26Å; W150-M577 HydrophobicContact CZ2-CB 3.86Å; W150-M577 HydrophobicContact CZ2-CG 3.74Å; W150-M577 HydrophobicContact CZ2-SD 4.23Å; W150-P578 HydrophobicContact CG-CG 4.24Å; W150-T579 WeakPolarHBondContact CZ2-O 3.44Å; W150-T579 PolarHBondContact NE1-O 3.28Å; W150-T579 PolarHBondContact NE1-OG1 3.32Å; W150-T579 VanDerWaalsContact NE1-OG1 3.12Å; W150-V581 HydrophobicContact CH2-CG1 3.68Å; W150-V581 HydrophobicContact CZ2-CG1 3.43Å; W150-V581 VanDerWaalsContact CZ2-CG1 3.43Å
151	A	98.7	Very high	98.1	Very high	27 Å²	27	36.2 Å²	36.2	22%	0.223	22%	0.216	C	C	.	.	H	α-helix	trans	-61.9	-43.4	174.9	0	0	0	0	0	112	Y147 N148 H149 L153 G154 N155 D159	Y147-A151 PolarHBondContact O-N 3.11Å; N148-A151 PolarHBondContact O-N 3.32Å; H149-A151 VanDerWaalsContact C-N 3.28Å; H149-A151 PolarHBondContact O-N 3.32Å; A151-L153 PolarHBondContact O-N 3.09Å; A151-G154 PolarHBondContact O-N 3.28Å; A151-N155 WeakPolarHBondContact CA-O 3.4Å; A151-N155 PolarHBondContact O-N 2.87Å; A151-D159 HydrophobicContact CB-CB 3.96Å
152	S	98.4	Very high	98.1	Very high	90 Å²	90	38.1 Å²	38.1	63%	0.629	23%	0.23	S	C	*	.	H	α-helix	trans	-64.6	-24.7	178.2	82.6	0	0	0	0	113.2	N148 H149 G154	N148-S152 WeakPolarHBondContact O-CB 3.02Å; N148-S152 PolarHBondContact O-N 2.75Å; H149-S152 WeakPolarHBondContact CA-OG 3.34Å; H149-S152 PolarHBondContact ND1-OG 3.2Å; H149-S152 PolarHBondContact O-N 3.47Å; H149-S152 VanDerWaalsContact O-N 3.12Å; H149-S152 PolarHBondContact O-OG 3.22Å; S152-G154 PolarHBondContact O-N 3.38Å
153	L	98.4	Very high	98.3	Very high	51 Å²	51	37.8 Å²	37.8	27%	0.267	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	7	171.4	-66.3	174.1	0	0	0	113.5	H149 W150 A151 P549 P578	H149-L153 WeakPolarHBondContact O-CG 3.1Å; H149-L153 PolarHBondContact O-N 3.35Å; W150-L153 PolarHBondContact O-N 2.94Å; A151-L153 PolarHBondContact O-N 3.09Å; L153-P549 WeakPolarHBondContact O-CD 3.47Å; L153-P578 HydrophobicContact CD1-CB 3.82Å
154	G	98.4	Very high	98.3	Very high	24 Å²	24	38.9 Å²	38.9	25%	0.247	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	94.2	24.9	177.2	0	0	0	0	0	114.5	A151 S152 P156	A151-G154 PolarHBondContact O-N 3.28Å; S152-G154 PolarHBondContact O-N 3.38Å; G154-P156 WeakPolarHBondContact O-CD 3.44Å
155	N	98.7	Very high	98.4	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.005	24%	0.235	C	C	.	.			trans	-110.4	81	-179.3	-55.6	-68	0	0	0	111.3	W150 A151 W158 M547 G548 P559	W150-N155 VanDerWaalsContact O-CB 3.28Å; W150-N155 WeakPolarHBondContact O-CB 3.25Å; W150-N155 PolarHBondContact O-N 3.36Å; W150-N155 PolarHBondContact O-ND2 3.32Å; A151-N155 WeakPolarHBondContact CA-O 3.4Å; A151-N155 PolarHBondContact O-N 2.87Å; N155-W158 HydrophobicContact CB-CB 4.2Å; N155-W158 HydrophobicContact CB-CG 4.17Å; N155-W158 WeakPolarHBondContact O-CB 3.3Å; N155-W158 PolarHBondContact O-N 3Å; N155-M547 HydrophobicContact CB-CE 3.79Å; N155-M547 HydrophobicContact CB-SD 4.38Å; N155-M547 WeakPolarHBondContact OD1-CG 3.28Å; N155-G548 VanDerWaalsContact OD1-CA 3.28Å; N155-G548 WeakPolarHBondContact OD1-CA 3.22Å; N155-G548 PolarHBondContact OD1-N 3.28Å; N155-P559 HydrophobicContact CB-CB 4.47Å
156	P	98	Very high	98.4	Very high	99 Å²	99	39 Å²	39	64%	0.643	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.3	141.8	-175.1	24.1	-35	0	0	0	113.1	G154 W158 P559	G154-P156 WeakPolarHBondContact O-CD 3.44Å; P156-W158 PolarHBondContact O-N 3.45Å; P156-P559 HydrophobicContact CG-CB 4.42Å
157	G	98.2	Very high	98.4	Very high	29 Å²	29	39 Å²	39	30%	0.299	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.7	6.3	-178.3	0	0	0	0	0	114.5	D159 S162 K595	G157-D159 WeakPolarHBondContact CA-OD2 3.45Å; G157-S162 WeakPolarHBondContact O-CB 3.33Å; G157-S162 PolarHBondContact O-OG 3.05Å; G157-K595 PolarHBondContact O-NZ 2.78Å
158	W	98.7	Very high	98.4	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	24%	0.238	C	C	.	.			trans	-97.3	8	173.8	-70	90.4	0	0	0	113.5	Y147 W150 N155 P156 M163 M547 P559 L561 I576 I592 K595	Y147-W158 CarbonylContact C-O 3.59Å; Y147-W158 WeakPolarHBondContact CA-O 3.49Å; Y147-W158 WeakPolarHBondContact CB-O 3.4Å; W150-W158 HydrophobicContact CB-CB 4.3Å; W150-W158 HydrophobicContact CE3-CE3 4.01Å; W150-W158 HydrophobicContact CZ3-CE3 4.07Å; W150-W158 HydrophobicContact CZ3-CZ3 4.4Å; N155-W158 HydrophobicContact CB-CB 4.2Å; N155-W158 HydrophobicContact CB-CG 4.17Å; N155-W158 WeakPolarHBondContact O-CB 3.3Å; N155-W158 PolarHBondContact O-N 3Å; P156-W158 PolarHBondContact O-N 3.45Å; W158-M163 HydrophobicContact CE3-CE 4.34Å; W158-M163 HydrophobicContact CE3-CG 4.47Å; W158-M163 HydrophobicContact CE3-SD 3.55Å; W158-M163 VanDerWaalsContact CE3-SD 3.55Å; W158-M163 HydrophobicContact CZ3-CE 4.09Å; W158-M163 HydrophobicContact CZ3-SD 3.72Å; W158-M547 HydrophobicContact CB-CE 4.4Å; W158-M547 HydrophobicContact CD2-CE 3.59Å; W158-M547 HydrophobicContact CD2-SD 3.91Å; W158-M547 HydrophobicContact CE3-CE 4.22Å; W158-M547 HydrophobicContact CG-CE 3.69Å; W158-M547 HydrophobicContact CG-SD 4.19Å; W158-M547 HydrophobicContact CZ2-CE 4.36Å; W158-M547 HydrophobicContact CZ2-SD 3.72Å; W158-M547 PolarHBondContact NE1-SD 3.27Å; W158-P559 PolarHBondContact NE1-O 3.47Å; W158-L561 HydrophobicContact CH2-CD1 4.2Å; W158-L561 HydrophobicContact CH2-CD2 4.11Å; W158-L561 HydrophobicContact CH2-CG 4.48Å; W158-L561 HydrophobicContact CZ2-CD1 4.13Å; W158-L561 HydrophobicContact CZ2-CD2 3.64Å; W158-L561 HydrophobicContact CZ2-CG 3.97Å; W158-I576 HydrophobicContact CH2-CD1 4.14Å; W158-I576 HydrophobicContact CZ3-CD1 4.39Å; W158-I592 HydrophobicContact CH2-CG1 4.09Å; W158-I592 HydrophobicContact CH2-CG2 4.4Å; W158-I592 HydrophobicContact CZ3-CG1 3.73Å; W158-K595 HydrophobicContact CD2-CD 4.22Å; W158-K595 HydrophobicContact CE3-CD 4.1Å; W158-K595 HydrophobicContact CH2-CD 3.83Å; W158-K595 HydrophobicContact CH2-CG 4.46Å; W158-K595 HydrophobicContact CZ2-CD 3.91Å; W158-K595 HydrophobicContact CZ3-CD 3.9Å; W158-K595 VanDerWaalsContact NE1-NZ 3.14Å
159	D	98.7	Very high	98.4	Very high	39 Å²	39	40 Å²	40	21%	0.209	23%	0.233	C	C	.	.	S	Bend	trans	-63.3	165.9	169.1	55.9	89.6	0	0	0	112.2	A151 G157 D161 S162 M163	A151-D159 HydrophobicContact CB-CB 3.96Å; G157-D159 WeakPolarHBondContact CA-OD2 3.45Å; D159-D161 PolarHBondContact O-N 3.22Å; D159-D161 PolarHBondContact OD1-N 2.86Å; D159-S162 VanDerWaalsContact CG-OG 3.31Å; D159-S162 PolarHBondContact O-N 3.21Å; D159-S162 WeakPolarHBondContact OD1-CB 3.15Å; D159-S162 PolarHBondContact OD1-N 3.44Å; D159-S162 PolarHBondContact OD1-OG 3.27Å; D159-S162 PolarHBondContact OD2-OG 3.22Å; D159-M163 WeakPolarHBondContact O-CG 3.1Å; D159-M163 PolarHBondContact O-N 2.96Å
160	Y	98.4	Very high	98.4	Very high	20 Å²	20	37.3 Å²	37.3	8%	0.078	22%	0.221	C	C	.	.	H	α-helix	trans	-60.9	-44.1	-174.3	179.9	-112	0	0	0	112.9	K144 Y147 N148 S162 M163 L164	K144-Y160 HydrophobicContact CB-CD1 3.72Å; K144-Y160 HydrophobicContact CB-CD2 3.71Å; K144-Y160 HydrophobicContact CB-CE1 4.17Å; K144-Y160 HydrophobicContact CB-CE2 4.17Å; K144-Y160 HydrophobicContact CB-CG 3.44Å; K144-Y160 VanDerWaalsContact CB-CG 3.44Å; Y147-Y160 AromaticContact CD2-CD2 3.77Å; Y147-Y160 HydrophobicContact CD2-CD2 3.77Å; Y147-Y160 HydrophobicContact CE2-CD2 4.39Å; N148-Y160 PolarHBondContact OD1-N 3.27Å; Y160-S162 VanDerWaalsContact C-N 3.29Å; Y160-S162 PolarHBondContact O-N 3.42Å; Y160-M163 CarbonylContact O-C 3.59Å; Y160-M163 PolarHBondContact O-N 3.25Å; Y160-M163 VanDerWaalsContact O-N 3.08Å; Y160-L164 HydrophobicContact CE1-CD2 4.13Å; Y160-L164 WeakPolarHBondContact O-CB 3.49Å; Y160-L164 PolarHBondContact O-N 3.14Å
161	D	97.9	Very high	98.4	Very high	128 Å²	128	37.3 Å²	37.3	68%	0.684	22%	0.221	S	C	*	.	H	α-helix	trans	-62.5	-40.8	-177.4	-67.1	-15.4	0	0	0	110.9	D159	D159-D161 PolarHBondContact O-N 3.22Å; D159-D161 PolarHBondContact OD1-N 2.86Å
162	S	98.3	Very high	98.3	Very high	41 Å²	41	36.6 Å²	36.6	29%	0.287	21%	0.213	S	C	.	.	H	α-helix	trans	-65.2	-38.5	173.9	-63	0	0	0	0	113	G157 D159 Y160 Y166	G157-S162 WeakPolarHBondContact O-CB 3.33Å; G157-S162 PolarHBondContact O-OG 3.05Å; D159-S162 VanDerWaalsContact CG-OG 3.31Å; D159-S162 PolarHBondContact O-N 3.21Å; D159-S162 WeakPolarHBondContact OD1-CB 3.15Å; D159-S162 PolarHBondContact OD1-N 3.44Å; D159-S162 PolarHBondContact OD1-OG 3.27Å; D159-S162 PolarHBondContact OD2-OG 3.22Å; Y160-S162 VanDerWaalsContact C-N 3.29Å; Y160-S162 PolarHBondContact O-N 3.42Å; S162-Y166 VanDerWaalsContact O-CD2 3.24Å; S162-Y166 WeakPolarHBondContact O-CD2 3.19Å; S162-Y166 WeakPolarHBondContact O-CE2 3.42Å
163	M	98.5	Very high	98.3	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-78.5	-34.5	-179	-73.2	-59.2	-61.8	0	0	113.5	Y147 W158 D159 Y160 K165 Y166 F167 A591 K595	Y147-M163 HydrophobicContact CD1-CB 4.08Å; Y147-M163 HydrophobicContact CD1-CG 3.71Å; Y147-M163 HydrophobicContact CE1-CB 4.43Å; Y147-M163 HydrophobicContact CE1-CE 4.33Å; Y147-M163 HydrophobicContact CE1-CG 4.22Å; Y147-M163 HydrophobicContact CG-CB 4.27Å; Y147-M163 HydrophobicContact CG-CG 4.24Å; W158-M163 HydrophobicContact CE3-CE 4.34Å; W158-M163 HydrophobicContact CE3-CG 4.47Å; W158-M163 HydrophobicContact CE3-SD 3.55Å; W158-M163 VanDerWaalsContact CE3-SD 3.55Å; W158-M163 HydrophobicContact CZ3-CE 4.09Å; W158-M163 HydrophobicContact CZ3-SD 3.72Å; D159-M163 WeakPolarHBondContact O-CG 3.1Å; D159-M163 PolarHBondContact O-N 2.96Å; Y160-M163 CarbonylContact O-C 3.59Å; Y160-M163 PolarHBondContact O-N 3.25Å; Y160-M163 VanDerWaalsContact O-N 3.08Å; M163-K165 PolarHBondContact O-N 3.45Å; M163-Y166 PolarHBondContact O-N 2.95Å; M163-Y166 HydrophobicContact SD-CD2 4.44Å; M163-F167 HydrophobicContact CB-CD2 4.5Å; M163-F167 HydrophobicContact CB-CE2 4.06Å; M163-F167 HydrophobicContact CE-CE2 4.49Å; M163-F167 VanDerWaalsContact O-CD2 3.25Å; M163-F167 WeakPolarHBondContact O-CD2 3.42Å; M163-F167 PolarHBondContact O-N 3.22Å; M163-A591 HydrophobicContact CE-CB 3.74Å; M163-K595 HydrophobicContact SD-CD 3.79Å
164	L	98.3	Very high	98.2	Very high	25 Å²	25	36.8 Å²	36.8	13%	0.131	20%	0.197	C	C	.	.	H	α-helix	trans	-53	-43.6	179.3	180	57.8	0	0	0	111.1	Y160 Y166 F167 L168 Y183	Y160-L164 HydrophobicContact CE1-CD2 4.13Å; Y160-L164 WeakPolarHBondContact O-CB 3.49Å; Y160-L164 PolarHBondContact O-N 3.14Å; L164-Y166 PolarHBondContact O-N 3Å; L164-Y166 VanDerWaalsContact O-N 3.16Å; L164-F167 WeakPolarHBondContact O-CB 3.28Å; L164-F167 PolarHBondContact O-N 2.03Å; L164-F167 VanDerWaalsContact O-N 3.11Å; L164-L168 HydrophobicContact CD1-CD1 4.42Å; L164-L168 HydrophobicContact CD1-CD2 4.4Å; L164-L168 HydrophobicContact CD1-CG 4.17Å; L164-L168 HydrophobicContact CG-CD1 4.14Å; L164-L168 HydrophobicContact CG-CG 4.34Å; L164-L168 WeakPolarHBondContact O-CG 3.43Å; L164-L168 PolarHBondContact O-N 2.94Å; L164-Y183 HydrophobicContact CD2-CD1 4.38Å
165	K	98	Very high	98	Very high	94 Å²	94	36.3 Å²	36.3	41%	0.409	19%	0.189	S	C	.	.	H	α-helix	trans	-50.6	-41.2	174.3	177.6	179.6	-180	177.2	0	113.3	M163 K169 R608	M163-K165 PolarHBondContact O-N 3.45Å; K165-K169 VanDerWaalsContact O-CB 3.32Å; K165-K169 WeakPolarHBondContact O-CB 3.44Å; K165-K169 PolarHBondContact O-N 2.95Å; K165-R608 VanDerWaalsContact NZ-CZ 3.29Å; K165-R608 VanDerWaalsContact NZ-NH2 3.1Å
166	Y	98.5	Very high	97.8	Very high	22 Å²	22	41 Å²	41	9%	0.086	22%	0.219	C	C	.	.	H	α-helix	trans	-81.6	-26.7	-176.1	-63.5	-64.1	0	0	0	112.8	S162 M163 L164 K169 E594 K595 D598	S162-Y166 VanDerWaalsContact O-CD2 3.24Å; S162-Y166 WeakPolarHBondContact O-CD2 3.19Å; S162-Y166 WeakPolarHBondContact O-CE2 3.42Å; M163-Y166 PolarHBondContact O-N 2.95Å; M163-Y166 HydrophobicContact SD-CD2 4.44Å; L164-Y166 PolarHBondContact O-N 3Å; L164-Y166 VanDerWaalsContact O-N 3.16Å; Y166-K169 HydrophobicContact CD1-CD 4.4Å; Y166-E594 HydrophobicContact CD1-CB 3.74Å; Y166-E594 HydrophobicContact CG-CB 4.18Å; Y166-K595 HydrophobicContact CD1-CB 4.22Å; Y166-K595 HydrophobicContact CD2-CB 3.63Å; Y166-K595 HydrophobicContact CD2-CD 4.18Å; Y166-K595 HydrophobicContact CD2-CG 4.08Å; Y166-K595 HydrophobicContact CE1-CB 4.15Å; Y166-K595 HydrophobicContact CE2-CB 3.56Å; Y166-K595 HydrophobicContact CE2-CD 3.78Å; Y166-K595 HydrophobicContact CE2-CG 3.54Å; Y166-K595 HydrophobicContact CG-CB 3.96Å; Y166-D598 HydrophobicContact CE1-CB 4.22Å
167	F	98.4	Very high	97.5	Very high	2 Å²	2	42.3 Å²	42.3	1%	0.009	21%	0.212	C	C	.	.	H	α-helix	trans	-63.4	-52.6	166.1	-69.9	-66.3	0	0	0	111	R141 Y147 M163 L164 K169 S170 E171 A587 P588 A591	R141-F167 HydrophobicContact CB-CD1 4.1Å; R141-F167 HydrophobicContact CB-CD2 4.47Å; R141-F167 HydrophobicContact CB-CE1 3.9Å; R141-F167 HydrophobicContact CB-CE2 4.31Å; R141-F167 HydrophobicContact CB-CG 4.39Å; R141-F167 HydrophobicContact CB-CZ 4.05Å; R141-F167 HydrophobicContact CG-CB 4.47Å; R141-F167 HydrophobicContact CG-CD1 3.61Å; R141-F167 HydrophobicContact CG-CD2 4.47Å; R141-F167 HydrophobicContact CG-CE1 3.88Å; R141-F167 HydrophobicContact CG-CG 3.95Å; R141-F167 HydrophobicContact CG-CZ 4.46Å; Y147-F167 HydrophobicContact CE1-CE2 4.46Å; Y147-F167 HydrophobicContact CE1-CZ 4.44Å; Y147-F167 HydrophobicContact CE2-CE2 4.13Å; Y147-F167 HydrophobicContact CE2-CZ 4.38Å; Y147-F167 AromaticContact CZ-CE2 3.87Å; Y147-F167 AromaticContact CZ-CZ 3.79Å; Y147-F167 VanDerWaalsContact OH-CZ 3.25Å; Y147-F167 WeakPolarHBondContact OH-CZ 3.48Å; M163-F167 HydrophobicContact CB-CD2 4.5Å; M163-F167 HydrophobicContact CB-CE2 4.06Å; M163-F167 HydrophobicContact CE-CE2 4.49Å; M163-F167 VanDerWaalsContact O-CD2 3.25Å; M163-F167 WeakPolarHBondContact O-CD2 3.42Å; M163-F167 PolarHBondContact O-N 3.22Å; L164-F167 WeakPolarHBondContact O-CB 3.28Å; L164-F167 PolarHBondContact O-N 2.03Å; L164-F167 VanDerWaalsContact O-N 3.11Å; F167-K169 VanDerWaalsContact C-N 3.33Å; F167-K169 PolarHBondContact O-N 3.41Å; F167-S170 PolarHBondContact O-N 2.9Å; F167-E171 WeakPolarHBondContact O-CB 3.37Å; F167-E171 PolarHBondContact O-N 2.83Å; F167-A587 HydrophobicContact CE1-CB 4.25Å; F167-A587 WeakPolarHBondContact CE1-O 3.19Å; F167-P588 HydrophobicContact CE1-CG 4.38Å; F167-P588 HydrophobicContact CZ-CB 4.41Å; F167-P588 HydrophobicContact CZ-CG 4.32Å; F167-A591 HydrophobicContact CD1-CB 3.72Å; F167-A591 HydrophobicContact CD2-CB 4.35Å; F167-A591 HydrophobicContact CE1-CB 3.54Å; F167-A591 HydrophobicContact CE2-CB 4.19Å; F167-A591 HydrophobicContact CG-CB 4.11Å; F167-A591 HydrophobicContact CZ-CB 3.76Å
168	L	98.3	Very high	97.3	Very high	30 Å²	30	41.3 Å²	41.3	16%	0.157	20%	0.2	C	C	.	.	H	α-helix	trans	-58.5	-43.4	178.8	-62.8	178.1	0	0	0	111.8	L164 S170 E171 Y183 E185	L164-L168 HydrophobicContact CD1-CD1 4.42Å; L164-L168 HydrophobicContact CD1-CD2 4.4Å; L164-L168 HydrophobicContact CD1-CG 4.17Å; L164-L168 HydrophobicContact CG-CD1 4.14Å; L164-L168 HydrophobicContact CG-CG 4.34Å; L164-L168 WeakPolarHBondContact O-CG 3.43Å; L164-L168 PolarHBondContact O-N 2.94Å; L168-S170 PolarHBondContact O-N 3.35Å; L168-S170 VanDerWaalsContact O-N 3.15Å; L168-E171 PolarHBondContact O-N 3.01Å; L168-E171 VanDerWaalsContact O-N 3.1Å; L168-Y183 VanDerWaalsContact CD2-C 3.49Å; L168-Y183 VanDerWaalsContact CD2-O 3.31Å; L168-Y183 WeakPolarHBondContact CD2-O 3.37Å; L168-E185 HydrophobicContact CB-CB 3.93Å; L168-E185 HydrophobicContact CD2-CB 4.03Å; L168-E185 WeakPolarHBondContact O-CB 3.4Å
169	K	98.2	Very high	97	Very high	59 Å²	59	43.2 Å²	43.2	26%	0.257	22%	0.216	S	C	.	.	H	α-helix	trans	-56.7	-33.1	179.7	-175.7	-179.6	179.5	-159.2	0	114.2	K165 Y166 F167 E594 D598	K165-K169 VanDerWaalsContact O-CB 3.32Å; K165-K169 WeakPolarHBondContact O-CB 3.44Å; K165-K169 PolarHBondContact O-N 2.95Å; Y166-K169 HydrophobicContact CD1-CD 4.4Å; F167-K169 VanDerWaalsContact C-N 3.33Å; F167-K169 PolarHBondContact O-N 3.41Å; K169-E594 HydrophobicContact CD-CG 4.36Å; K169-E594 VanDerWaalsContact CD-OE2 3.26Å; K169-E594 WeakPolarHBondContact CD-OE2 3.23Å; K169-E594 WeakPolarHBondContact CE-OE2 3.17Å; K169-E594 IonicContact NZ-OE2 2.85Å; K169-E594 PolarHBondContact NZ-OE2 2.87Å; K169-D598 IonicContact NZ-OD1 3.4Å; K169-D598 PolarHBondContact NZ-OD1 2.76Å; K169-D598 VanDerWaalsContact NZ-OD1 3.11Å
170	S	98.3	Very high	96.6	Very high	2 Å²	2	50.5 Å²	50.5	1%	0.014	25%	0.245	C	C	.	.	H	α-helix	trans	-88.1	-24.6	180	-71.6	0	0	0	0	113	F167 L168 G188 Y189 L190 I590 E594	F167-S170 PolarHBondContact O-N 2.9Å; L168-S170 PolarHBondContact O-N 3.35Å; L168-S170 VanDerWaalsContact O-N 3.15Å; S170-G188 CarbonylContact O-C 3.58Å; S170-Y189 PolarHBondContact O-N 3.35Å; S170-Y189 VanDerWaalsContact O-N 3.16Å; S170-L190 VanDerWaalsContact O-CB 3.31Å; S170-L190 WeakPolarHBondContact O-CB 3.49Å; S170-L190 PolarHBondContact O-N 3.13Å; S170-I590 WeakPolarHBondContact OG-CG2 3.27Å; S170-E594 WeakPolarHBondContact OG-CG 3.27Å; S170-E594 PolarHBondContact OG-OE1 3.16Å
171	E	98.4	Very high	96.3	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	137.6	-165.7	-172.7	172.3	-91.1	0	0	112.9	Y139 R141 F167 L168 V173 H184 E185 G188 V192	Y139-E171 WeakPolarHBondContact CE1-OE1 3.39Å; Y139-E171 VanDerWaalsContact CZ-OE1 3.32Å; Y139-E171 PolarHBondContact OH-OE1 3.26Å; R141-E171 IonicContact CZ-OE1 2.64Å; R141-E171 IonicContact NE-OE1 2.68Å; R141-E171 IonicContact NH2-OE1 3.11Å; R141-E171 PolarHBondContact NH2-OE1 3.22Å; R141-E171 IonicContact NH2-OE2 2.74Å; R141-E171 PolarHBondContact NH2-OE2 2.71Å; F167-E171 WeakPolarHBondContact O-CB 3.37Å; F167-E171 PolarHBondContact O-N 2.83Å; L168-E171 PolarHBondContact O-N 3.01Å; L168-E171 VanDerWaalsContact O-N 3.1Å; E171-V173 HydrophobicContact CG-CB 4.24Å; E171-H184 IonicContact OE1-ND1 3.49Å; E171-H184 PolarHBondContact OE1-ND1 3.05Å; E171-H184 WeakPolarHBondContact OE2-CA 3.33Å; E171-H184 WeakPolarHBondContact OE2-CB 3.31Å; E171-H184 IonicContact OE2-CE1 3.87Å; E171-H184 IonicContact OE2-CG 2.67Å; E171-H184 IonicContact OE2-ND1 2.77Å; E171-H184 PolarHBondContact OE2-ND1 3.2Å; E171-E185 CarbonylContact C-O 3.45Å; E171-E185 PolarHBondContact OE2-N 2.69Å; E171-E185 VanDerWaalsContact OE2-N 3.12Å; E171-G188 VanDerWaalsContact O-CA 3.23Å; E171-G188 WeakPolarHBondContact O-CA 3.21Å; E171-G188 PolarHBondContact O-N 3.04Å; E171-V192 HydrophobicContact CG-CB 4.34Å; E171-V192 HydrophobicContact CG-CG2 4.14Å
172	D	98.1	Very high	96.2	Very high	13 Å²	13	50.5 Å²	50.5	7%	0.07	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	79.9	167.3	172.5	43.5	0	0	0	108.2	R174 G187 G188 L190 T191 V192	D172-R174 VanDerWaalsContact CG-NE 3.28Å; D172-R174 IonicContact OD1-CZ 2.82Å; D172-R174 IonicContact OD1-NE 3.56Å; D172-R174 PolarHBondContact OD1-NE 2.95Å; D172-R174 IonicContact OD1-NH2 3.6Å; D172-R174 IonicContact OD2-CZ 3.74Å; D172-R174 IonicContact OD2-NE 2.79Å; D172-R174 PolarHBondContact OD2-NE 2.67Å; D172-R174 IonicContact OD2-NH2 3.59Å; D172-R174 PolarHBondContact OD2-NH2 3.36Å; D172-G187 PolarHBondContact OD1-N 3.46Å; D172-G187 VanDerWaalsContact OD1-N 3.11Å; D172-G188 WeakPolarHBondContact CB-O 3.31Å; D172-L190 PolarHBondContact N-O 3.19Å; D172-T191 WeakPolarHBondContact O-CA 3.43Å; D172-T191 PolarHBondContact OD2-OG1 3.21Å; D172-V192 PolarHBondContact O-N 3.17Å
173	V	97.8	Very high	96.1	Very high	4 Å²	4	51.9 Å²	51.9	2%	0.024	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	131.1	-178.5	75.2	0	0	0	0	110.3	E171 N175 L178 A179 H184 E185 T186 V192	E171-V173 HydrophobicContact CG-CB 4.24Å; V173-N175 HydrophobicContact CG2-CB 4.19Å; V173-L178 HydrophobicContact CG2-CB 4.03Å; V173-L178 HydrophobicContact CG2-CD1 4.34Å; V173-A179 HydrophobicContact CG1-CB 3.82Å; V173-H184 HydrophobicContact CB-CB 4.49Å; V173-H184 HydrophobicContact CG1-CB 4.03Å; V173-E185 WeakPolarHBondContact CG1-O 3.34Å; V173-E185 PolarHBondContact N-O 3.23Å; V173-T186 HydrophobicContact CG1-CG2 3.79Å; V173-V192 CarbonylContact C-O 3.55Å; V173-V192 WeakPolarHBondContact CA-O 3.5Å
174	R	96.3	Very high	96	Very high	140 Å²	140	52.2 Å²	52.2	53%	0.528	26%	0.255	S	S	.	.			trans	-104.9	-1.5	177.3	-51.9	-60	-172.3	119.9	-7.9	114.2	D172 P176 T191 V192 Q193	D172-R174 VanDerWaalsContact CG-NE 3.28Å; D172-R174 IonicContact OD1-CZ 2.82Å; D172-R174 IonicContact OD1-NE 3.56Å; D172-R174 PolarHBondContact OD1-NE 2.95Å; D172-R174 IonicContact OD1-NH2 3.6Å; D172-R174 IonicContact OD2-CZ 3.74Å; D172-R174 IonicContact OD2-NE 2.79Å; D172-R174 PolarHBondContact OD2-NE 2.67Å; D172-R174 IonicContact OD2-NH2 3.59Å; D172-R174 PolarHBondContact OD2-NH2 3.36Å; R174-P176 VanDerWaalsContact O-CD 3.27Å; R174-P176 WeakPolarHBondContact O-CD 3.47Å; R174-T191 HydrophobicContact CG-CG2 3.5Å; R174-V192 PolarHBondContact N-O 3.19Å; R174-Q193 HydrophobicContact CB-CB 4.01Å
175	N	94.8	Very high	96	Very high	14 Å²	14	55.5 Å²	55.5	8%	0.075	27%	0.27	C	S	.	.			trans	-81.2	110.8	174.4	-68.5	81.4	0	0	0	110.4	V173 Y177 L178 A179 Q193 E194	V173-N175 HydrophobicContact CG2-CB 4.19Å; N175-Y177 VanDerWaalsContact C-N 3.26Å; N175-Y177 HydrophobicContact CB-CD1 4.21Å; N175-Y177 HydrophobicContact CB-CE1 3.66Å; N175-Y177 WeakPolarHBondContact ND2-CE1 3.45Å; N175-Y177 PolarHBondContact ND2-OH 3.38Å; N175-Y177 PolarHBondContact O-N 3.27Å; N175-L178 HydrophobicContact CB-CB 4.12Å; N175-L178 HydrophobicContact CB-CD1 3.81Å; N175-L178 HydrophobicContact CB-CG 4Å; N175-L178 PolarHBondContact O-N 2.89Å; N175-A179 PolarHBondContact O-N 2.96Å; N175-A179 VanDerWaalsContact O-N 3.09Å; N175-Q193 WeakPolarHBondContact OD1-CA 3.48Å; N175-E194 WeakPolarHBondContact ND2-CG 3.41Å; N175-E194 PolarHBondContact OD1-N 3.25Å
176	P	93.2	Very high	95.9	Very high	99 Å²	99	54.5 Å²	54.5	64%	0.643	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-27.1	-173.2	-25.1	36.4	0	0	0	114.8	R174 L178	R174-P176 VanDerWaalsContact O-CD 3.27Å; R174-P176 WeakPolarHBondContact O-CD 3.47Å; P176-L178 VanDerWaalsContact C-N 3.33Å
177	Y	92.8	Very high	95.8	Very high	128 Å²	128	56.7 Å²	56.7	50%	0.502	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-21	177.4	62.2	-84.5	0	0	0	112.8	N175 E194	N175-Y177 VanDerWaalsContact C-N 3.26Å; N175-Y177 HydrophobicContact CB-CD1 4.21Å; N175-Y177 HydrophobicContact CB-CE1 3.66Å; N175-Y177 WeakPolarHBondContact ND2-CE1 3.45Å; N175-Y177 PolarHBondContact ND2-OH 3.38Å; N175-Y177 PolarHBondContact O-N 3.27Å; Y177-E194 PolarHBondContact OH-OE1 3.27Å
178	L	94.3	Very high	95.8	Very high	8 Å²	8	57.5 Å²	57.5	4%	0.042	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-35.9	176.4	-64.6	179.2	0	0	0	112.2	V173 N175 P176 K180 T181 H184 D218 Q231	V173-L178 HydrophobicContact CG2-CB 4.03Å; V173-L178 HydrophobicContact CG2-CD1 4.34Å; N175-L178 HydrophobicContact CB-CB 4.12Å; N175-L178 HydrophobicContact CB-CD1 3.81Å; N175-L178 HydrophobicContact CB-CG 4Å; N175-L178 PolarHBondContact O-N 2.89Å; P176-L178 VanDerWaalsContact C-N 3.33Å; L178-K180 PolarHBondContact O-N 2.88Å; L178-T181 WeakPolarHBondContact O-CB 3.49Å; L178-T181 WeakPolarHBondContact O-CG2 3.41Å; L178-T181 PolarHBondContact O-N 2.97Å; L178-T181 PolarHBondContact O-OG1 2.82Å; L178-H184 WeakPolarHBondContact O-CB 2.84Å; L178-D218 HydrophobicContact CD2-CB 3.97Å; L178-Q231 HydrophobicContact CD1-CG 4.47Å
179	A	91.8	Very high	95.7	Very high	39 Å²	39	58.8 Å²	58.8	32%	0.322	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-15.6	-178.6	0	0	0	0	0	114.9	V173 N175 T186	V173-A179 HydrophobicContact CG1-CB 3.82Å; N175-A179 PolarHBondContact O-N 2.96Å; N175-A179 VanDerWaalsContact O-N 3.09Å; A179-T186 HydrophobicContact CB-CG2 3.94Å
180	K	89.3	Confident	95.7	Very high	192 Å²	192	56.1 Å²	56.1	84%	0.835	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.3	0.5	178.9	-61.6	-177.4	-179.3	-178.2	0	113.7	L178	L178-K180 PolarHBondContact O-N 2.88Å
181	T	93.9	Very high	95.7	Very high	44 Å²	44	56 Å²	56	27%	0.27	30%	0.301	S	S	.	.	S	Bend	trans	-93.6	153.2	-178.6	71.8	0	0	0	0	110.3	L178 Y183 H184	L178-T181 WeakPolarHBondContact O-CB 3.49Å; L178-T181 WeakPolarHBondContact O-CG2 3.41Å; L178-T181 PolarHBondContact O-N 2.97Å; L178-T181 PolarHBondContact O-OG1 2.82Å; T181-Y183 PolarHBondContact O-N 3.47Å; T181-Y183 VanDerWaalsContact O-N 3.11Å; T181-H184 PolarHBondContact O-N 2.81Å; T181-H184 PolarHBondContact OG1-CD2 3.33Å
182	P	94.5	Very high	95.7	Very high	104 Å²	104	56 Å²	56	68%	0.675	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-4.7	178.6	30.4	-36.3	0	0	0	113.6
183	Y	96.2	Very high	95.6	Very high	70 Å²	70	57.1 Å²	57.1	28%	0.275	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	0.5	-179	-61	-79.5	0	0	0	112.5	R141 L164 L168 T181 A222	R141-Y183 PolarHBondContact NH1-O 3.49Å; R141-Y183 PolarHBondContact NH2-O 3.37Å; L164-Y183 HydrophobicContact CD2-CD1 4.38Å; L168-Y183 VanDerWaalsContact CD2-C 3.49Å; L168-Y183 VanDerWaalsContact CD2-O 3.31Å; L168-Y183 WeakPolarHBondContact CD2-O 3.37Å; T181-Y183 PolarHBondContact O-N 3.47Å; T181-Y183 VanDerWaalsContact O-N 3.11Å; Y183-A222 HydrophobicContact CE1-CB 4.41Å; Y183-A222 HydrophobicContact CE2-CB 3.69Å; Y183-A222 WeakPolarHBondContact OH-CB 3.38Å
184	H	97.5	Very high	95.4	Very high	7 Å²	7	58.4 Å²	58.4	3%	0.032	31%	0.311	C	S	.	.			trans	-136.2	151.5	-177.6	-73	-70.5	0	0	0	112.6	R141 E171 V173 L178 T181 D218	R141-H184 PolarHBondContact NH2-ND1 3.01Å; E171-H184 IonicContact OE1-ND1 3.49Å; E171-H184 PolarHBondContact OE1-ND1 3.05Å; E171-H184 WeakPolarHBondContact OE2-CA 3.33Å; E171-H184 WeakPolarHBondContact OE2-CB 3.31Å; E171-H184 IonicContact OE2-CE1 3.87Å; E171-H184 IonicContact OE2-CG 2.67Å; E171-H184 IonicContact OE2-ND1 2.77Å; E171-H184 PolarHBondContact OE2-ND1 3.2Å; V173-H184 HydrophobicContact CB-CB 4.49Å; V173-H184 HydrophobicContact CG1-CB 4.03Å; L178-H184 WeakPolarHBondContact O-CB 2.84Å; T181-H184 PolarHBondContact O-N 2.81Å; T181-H184 PolarHBondContact OG1-CD2 3.33Å; H184-D218 IonicContact CD2-OD2 2.75Å; H184-D218 IonicContact CE1-OD2 3.01Å; H184-D218 IonicContact NE2-OD1 3.57Å; H184-D218 IonicContact NE2-OD2 3.58Å; H184-D218 PolarHBondContact NE2-OD2 3.2Å
185	E	97	Very high	95.2	Very high	94 Å²	94	52.5 Å²	52.5	44%	0.439	29%	0.293	S	S	.	.			trans	-135.2	153.7	-178	-166.4	62	-99.4	0	0	110.9	L168 E171 V173	L168-E185 HydrophobicContact CB-CB 3.93Å; L168-E185 HydrophobicContact CD2-CB 4.03Å; L168-E185 WeakPolarHBondContact O-CB 3.4Å; E171-E185 CarbonylContact C-O 3.45Å; E171-E185 PolarHBondContact OE2-N 2.69Å; E171-E185 VanDerWaalsContact OE2-N 3.12Å; V173-E185 WeakPolarHBondContact CG1-O 3.34Å; V173-E185 PolarHBondContact N-O 3.23Å
186	T	97.2	Very high	94.9	Very high	73 Å²	73	55.3 Å²	55.3	45%	0.448	31%	0.312	S	S	.	.	S	Bend	trans	-114.5	156.3	176	63.3	0	0	0	0	110.9	V173 A179	V173-T186 HydrophobicContact CG1-CG2 3.79Å; A179-T186 HydrophobicContact CB-CG2 3.94Å
187	G	95.4	Very high	94.9	Very high	69 Å²	69	53.6 Å²	53.6	71%	0.711	29%	0.292	S	S	*	.	S	Bend	trans	86	2.2	174.3	0	0	0	0	0	116	D172	D172-G187 PolarHBondContact OD1-N 3.46Å; D172-G187 VanDerWaalsContact OD1-N 3.11Å
188	G	97.7	Very high	94.9	Very high	18 Å²	18	51.7 Å²	51.7	19%	0.186	28%	0.284	C	S	.	.	S	Bend	trans	-65.2	179.1	164.4	0	0	0	0	0	113.5	S170 E171 D172	S170-G188 CarbonylContact O-C 3.58Å; E171-G188 VanDerWaalsContact O-CA 3.23Å; E171-G188 WeakPolarHBondContact O-CA 3.21Å; E171-G188 PolarHBondContact O-N 3.04Å; D172-G188 WeakPolarHBondContact CB-O 3.31Å
189	Y	97.8	Very high	95	Very high	58 Å²	58	51.4 Å²	51.4	23%	0.227	28%	0.283	C	S	.	.	S	Bend	trans	-80.5	-29.3	-178.7	-78.5	-72.2	0	0	0	113.3	S170 R235 A245 F246 P249	S170-Y189 PolarHBondContact O-N 3.35Å; S170-Y189 VanDerWaalsContact O-N 3.16Å; Y189-R235 PolarHBondContact O-NH2 2.99Å; Y189-A245 WeakPolarHBondContact CB-O 3.42Å; Y189-A245 WeakPolarHBondContact CD1-O 3.49Å; Y189-A245 WeakPolarHBondContact O-CA 3.42Å; Y189-A245 WeakPolarHBondContact O-CB 3.23Å; Y189-F246 AromaticContact CD2-CD1 3.92Å; Y189-F246 HydrophobicContact CD2-CD1 3.92Å; Y189-F246 AromaticContact CD2-CE1 3.9Å; Y189-F246 HydrophobicContact CD2-CE1 3.9Å; Y189-F246 HydrophobicContact CG-CD1 4.03Å; Y189-F246 HydrophobicContact CG-CE1 4.12Å; Y189-P249 HydrophobicContact CD1-CG 4.45Å; Y189-P249 HydrophobicContact CE1-CB 4.26Å
190	L	98.5	Very high	95.2	Very high	2 Å²	2	53 Å²	53	1%	0.01	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	108.3	-172.9	-175	74.7	0	0	0	110.3	Y139 S170 D172 V192 T233 A245 F246 I590	Y139-L190 HydrophobicContact CD2-CD2 4.22Å; Y139-L190 HydrophobicContact CE2-CD2 3.87Å; S170-L190 VanDerWaalsContact O-CB 3.31Å; S170-L190 WeakPolarHBondContact O-CB 3.49Å; S170-L190 PolarHBondContact O-N 3.13Å; D172-L190 PolarHBondContact N-O 3.19Å; L190-V192 HydrophobicContact CD2-CG2 4.29Å; L190-V192 HydrophobicContact CG-CG2 4.37Å; L190-V192 PolarHBondContact O-N 3.29Å; L190-T233 HydrophobicContact CD1-CG2 3.88Å; L190-T233 HydrophobicContact CD2-CG2 3.83Å; L190-T233 HydrophobicContact CG-CG2 3.97Å; L190-A245 HydrophobicContact CB-CB 4.4Å; L190-A245 HydrophobicContact CD1-CB 4.03Å; L190-F246 HydrophobicContact CB-CE2 4.2Å; L190-F246 HydrophobicContact CB-CZ 4.38Å; L190-I590 HydrophobicContact CD1-CD1 4.36Å; L190-I590 HydrophobicContact CD2-CD1 3.7Å
191	T	97.9	Very high	95.5	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.006	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	125.7	177	-51.4	0	0	0	0	110.1	D172 R174 T233 I234 R235	D172-T191 WeakPolarHBondContact O-CA 3.43Å; D172-T191 PolarHBondContact OD2-OG1 3.21Å; R174-T191 HydrophobicContact CG-CG2 3.5Å; T191-T233 WeakPolarHBondContact O-CA 3.26Å; T191-I234 WeakPolarHBondContact CB-O 3.09Å; T191-I234 WeakPolarHBondContact CG2-O 3.48Å; T191-I234 PolarHBondContact O-N 3.35Å; T191-R235 HydrophobicContact CG2-CB 4.19Å; T191-R235 HydrophobicContact CG2-CG 4.43Å; T191-R235 PolarHBondContact OG1-NE 2.79Å; T191-R235 PolarHBondContact OG1-NH2 3.35Å
192	V	98.1	Very high	95.7	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	124.3	178.5	179.2	0	0	0	0	108.7	Y139 E171 D172 V173 R174 L190 Q231 S232	Y139-V192 HydrophobicContact CD1-CB 4.5Å; Y139-V192 HydrophobicContact CD1-CG1 3.54Å; Y139-V192 HydrophobicContact CD1-CG2 4.13Å; Y139-V192 HydrophobicContact CD2-CG1 4.43Å; Y139-V192 HydrophobicContact CD2-CG2 3.73Å; Y139-V192 HydrophobicContact CE1-CG1 3.95Å; Y139-V192 HydrophobicContact CE1-CG2 4.06Å; Y139-V192 HydrophobicContact CE2-CG2 3.69Å; Y139-V192 HydrophobicContact CG-CG1 3.79Å; Y139-V192 HydrophobicContact CG-CG2 3.94Å; E171-V192 HydrophobicContact CG-CB 4.34Å; E171-V192 HydrophobicContact CG-CG2 4.14Å; D172-V192 PolarHBondContact O-N 3.17Å; V173-V192 CarbonylContact C-O 3.55Å; V173-V192 WeakPolarHBondContact CA-O 3.5Å; R174-V192 PolarHBondContact N-O 3.19Å; L190-V192 HydrophobicContact CD2-CG2 4.29Å; L190-V192 HydrophobicContact CG-CG2 4.37Å; L190-V192 PolarHBondContact O-N 3.29Å; V192-Q231 HydrophobicContact CG1-CB 4.04Å; V192-S232 WeakPolarHBondContact CA-O 3.44Å
193	Q	95.9	Very high	95.8	Very high	35 Å²	35	40.1 Å²	40.1	16%	0.164	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	159.4	176.3	56.9	172.8	83	0	0	113.4	R174 N175 S232 I234	R174-Q193 HydrophobicContact CB-CB 4.01Å; N175-Q193 WeakPolarHBondContact OD1-CA 3.48Å; Q193-S232 PolarHBondContact N-O 2.95Å; Q193-S232 WeakPolarHBondContact O-CA 3.33Å; Q193-S232 WeakPolarHBondContact O-CB 3.5Å; Q193-S232 PolarHBondContact O-N 2.85Å; Q193-S232 VanDerWaalsContact O-O 3.06Å; Q193-I234 HydrophobicContact CG-CB 4.19Å; Q193-I234 HydrophobicContact CG-CG2 4.42Å; Q193-I234 WeakPolarHBondContact CG-O 3.31Å
194	E	94.6	Very high	95.9	Very high	32 Å²	32	36.8 Å²	36.8	15%	0.15	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	148.1	162.7	-67.4	-176.7	177.5	0	0	111.1	N175 Y177 R198 L229	N175-E194 WeakPolarHBondContact ND2-CG 3.41Å; N175-E194 PolarHBondContact OD1-N 3.25Å; Y177-E194 PolarHBondContact OH-OE1 3.27Å; E194-R198 IonicContact OE2-CZ 2.66Å; E194-R198 IonicContact OE2-NH1 3.49Å; E194-R198 PolarHBondContact OE2-NH1 3.36Å; E194-R198 IonicContact OE2-NH2 2.85Å; E194-R198 PolarHBondContact OE2-NH2 3.1Å; E194-L229 HydrophobicContact CG-CB 4.47Å
195	A	90.9	Very high	95.9	Very high	16 Å²	16	36.4 Å²	36.4	13%	0.132	21%	0.207	C	C	.	.			trans	-61.8	137.9	173.7	0	0	0	0	0	110.3	W197 R198 I234	A195-W197 PolarHBondContact O-N 3.15Å; A195-R198 PolarHBondContact O-NH2 2.91Å; A195-I234 HydrophobicContact CB-CD1 4.43Å
196	P	88.5	Confident	96	Very high	73 Å²	73	32.6 Å²	32.6	47%	0.474	19%	0.19	S	C	.	.	S	Bend	trans	-71.8	-17.6	-177.9	29.3	-34.4	0	0	0	112.7	T378	P196-T378 HydrophobicContact CG-CG2 3.96Å; P196-T378 WeakPolarHBondContact CG-OG1 2.97Å
197	W	92.6	Very high	96.1	Very high	62 Å²	62	32.7 Å²	32.7	24%	0.235	19%	0.185	C	C	.	.			trans	-122.2	142.7	176.8	-173.8	92.9	0	0	0	110.3	A195 T199 F360 G375 P376 T378 F379	A195-W197 PolarHBondContact O-N 3.15Å; W197-T199 HydrophobicContact CH2-CG2 3.52Å; W197-T199 HydrophobicContact CZ3-CG2 3.92Å; W197-F360 HydrophobicContact CH2-CD1 4.4Å; W197-F360 AromaticContact CH2-CE1 3.21Å; W197-F360 HydrophobicContact CH2-CE1 3.21Å; W197-F360 AromaticContact CH2-CZ 3.61Å; W197-F360 HydrophobicContact CH2-CZ 3.61Å; W197-F360 AromaticContact CZ2-CE1 3.69Å; W197-F360 HydrophobicContact CZ2-CE1 3.69Å; W197-F360 HydrophobicContact CZ2-CZ 4.03Å; W197-F360 AromaticContact CZ3-CE1 3.77Å; W197-F360 HydrophobicContact CZ3-CE1 3.77Å; W197-G375 WeakPolarHBondContact CB-O 3.36Å; W197-P376 HydrophobicContact CD2-CB 4.12Å; W197-P376 HydrophobicContact CD2-CG 4.31Å; W197-P376 HydrophobicContact CE3-CB 4.38Å; W197-P376 HydrophobicContact CZ2-CB 4.16Å; W197-P376 HydrophobicContact CZ2-CG 4.09Å; W197-T378 WeakPolarHBondContact CB-OG1 3.44Å; W197-F379 HydrophobicContact CE3-CB 4.03Å; W197-F379 HydrophobicContact CZ3-CB 4.27Å; W197-F379 HydrophobicContact CZ3-CG 4.42Å
198	R	93.9	Very high	96.2	Very high	88 Å²	88	29.4 Å²	29.4	33%	0.332	15%	0.151	S	C	.	.			trans	-154.5	158.3	176.8	67	-165.9	70.4	168.3	-9.7	111.9	E194 A195 S202 E383	E194-R198 IonicContact OE2-CZ 2.66Å; E194-R198 IonicContact OE2-NH1 3.49Å; E194-R198 PolarHBondContact OE2-NH1 3.36Å; E194-R198 IonicContact OE2-NH2 2.85Å; E194-R198 PolarHBondContact OE2-NH2 3.1Å; A195-R198 PolarHBondContact O-NH2 2.91Å; R198-S202 VanDerWaalsContact CD-OG 3.3Å; R198-S202 WeakPolarHBondContact CD-OG 3.1Å; R198-E383 WeakPolarHBondContact CA-OE1 3.3Å
199	T	95.5	Very high	96.2	Very high	3 Å²	3	28.6 Å²	28.6	2%	0.018	14%	0.143	C	C	.	.			trans	-79.8	161.1	171.5	77.6	0	0	0	0	111.3	W197 L201 S202 V355 E383 P408	W197-T199 HydrophobicContact CH2-CG2 3.52Å; W197-T199 HydrophobicContact CZ3-CG2 3.92Å; T199-L201 PolarHBondContact O-N 3.5Å; T199-L201 VanDerWaalsContact O-N 3.16Å; T199-L201 WeakPolarHBondContact OG1-CB 3.12Å; T199-L201 PolarHBondContact OG1-N 2.86Å; T199-L201 VanDerWaalsContact OG1-N 3.1Å; T199-S202 PolarHBondContact O-N 3.32Å; T199-S202 PolarHBondContact O-OG 2.7Å; T199-S202 VanDerWaalsContact O-OG 3.08Å; T199-V355 HydrophobicContact CG2-CG2 3.98Å; T199-E383 WeakPolarHBondContact CB-OE2 3.46Å; T199-E383 PolarHBondContact N-OE1 3.25Å; T199-E383 PolarHBondContact OG1-OE2 3.48Å; T199-P408 HydrophobicContact CG2-CB 3.77Å; T199-P408 HydrophobicContact CG2-CG 3.93Å
200	P	95.7	Very high	96.3	Very high	73 Å²	73	30.6 Å²	30.6	47%	0.474	16%	0.156	S	C	.	.	H	α-helix	trans	-59.5	-20.1	168.9	-25.1	35.6	0	0	0	114.4	S202 I203 A204	P200-S202 VanDerWaalsContact C-N 3.3Å; P200-S202 PolarHBondContact O-N 3.04Å; P200-I203 PolarHBondContact O-N 3.21Å; P200-A204 PolarHBondContact O-N 3.22Å
201	L	97.3	Very high	96.3	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-71.7	-25.6	178.4	-65.2	174.2	0	0	0	112.7	T199 I203 A204 F205 L353 T354 F406 P408 W443 F501 F504	T199-L201 PolarHBondContact O-N 3.5Å; T199-L201 VanDerWaalsContact O-N 3.16Å; T199-L201 WeakPolarHBondContact OG1-CB 3.12Å; T199-L201 PolarHBondContact OG1-N 2.86Å; T199-L201 VanDerWaalsContact OG1-N 3.1Å; L201-I203 PolarHBondContact O-N 3.43Å; L201-A204 PolarHBondContact O-N 3.43Å; L201-F205 WeakPolarHBondContact O-CB 3.25Å; L201-F205 PolarHBondContact O-N 3.37Å; L201-L353 HydrophobicContact CD1-CD1 3.38Å; L201-L353 HydrophobicContact CD2-CD1 3.68Å; L201-L353 HydrophobicContact CD2-CD2 4.42Å; L201-L353 HydrophobicContact CG-CD1 3.34Å; L201-T354 HydrophobicContact CD1-CG2 4.01Å; L201-F406 HydrophobicContact CB-CE1 3.97Å; L201-F406 HydrophobicContact CB-CZ 3.53Å; L201-F406 HydrophobicContact CD1-CZ 4.23Å; L201-F406 HydrophobicContact CG-CZ 4.48Å; L201-P408 HydrophobicContact CD1-CB 4.17Å; L201-W443 HydrophobicContact CD1-CB 4.03Å; L201-W443 HydrophobicContact CD1-CG 4.38Å; L201-F501 HydrophobicContact CD2-CD1 4.33Å; L201-F501 HydrophobicContact CD2-CE1 3.95Å; L201-F504 HydrophobicContact CD2-CD2 3.67Å; L201-F504 HydrophobicContact CD2-CE2 3.78Å; L201-F504 HydrophobicContact CD2-CG 4.45Å
202	S	96.6	Very high	96.3	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-59.6	-37.3	174.8	79.7	0	0	0	0	110.9	R198 T199 P200 L206	R198-S202 VanDerWaalsContact CD-OG 3.3Å; R198-S202 WeakPolarHBondContact CD-OG 3.1Å; T199-S202 PolarHBondContact O-N 3.32Å; T199-S202 PolarHBondContact O-OG 2.7Å; T199-S202 VanDerWaalsContact O-OG 3.08Å; P200-S202 VanDerWaalsContact C-N 3.3Å; P200-S202 PolarHBondContact O-N 3.04Å; S202-L206 WeakPolarHBondContact O-CG 3.35Å; S202-L206 PolarHBondContact O-N 2.83Å
203	I	96.9	Very high	96.2	Very high	68 Å²	68	40.2 Å²	40.2	35%	0.349	22%	0.221	S	C	.	.	H	α-helix	trans	-74.5	-39.9	176.9	-56.4	-55	0	0	0	110.9	P200 L201 F205 L206 Q207	P200-I203 PolarHBondContact O-N 3.21Å; L201-I203 PolarHBondContact O-N 3.43Å; I203-F205 PolarHBondContact O-N 2.81Å; I203-L206 PolarHBondContact O-N 3.37Å; I203-Q207 HydrophobicContact CG2-CG 4.46Å; I203-Q207 WeakPolarHBondContact O-CG 3.14Å; I203-Q207 PolarHBondContact O-N 3.17Å
204	A	98.1	Very high	96.3	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-60.1	-36.9	173.8	0	0	0	0	0	111.9	P200 L201 Q207 A208 A500 F501 F504	P200-A204 PolarHBondContact O-N 3.22Å; L201-A204 PolarHBondContact O-N 3.43Å; A204-Q207 PolarHBondContact O-N 3.18Å; A204-A208 VanDerWaalsContact O-CB 3.31Å; A204-A208 WeakPolarHBondContact O-CB 3.45Å; A204-A208 PolarHBondContact O-N 2.8Å; A204-A500 HydrophobicContact CB-CB 4.35Å; A204-A500 WeakPolarHBondContact O-CB 3.3Å; A204-F501 HydrophobicContact CB-CE2 4.39Å; A204-F501 HydrophobicContact CB-CZ 4.45Å; A204-F504 HydrophobicContact CB-CE2 3.9Å
205	F	98.5	Very high	96.4	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-61.7	-43.8	174.5	-179.1	-106.4	0	0	0	112.8	L201 I203 A208 G209 F227 A386 F404 F406 I445 V495 F501	L201-F205 WeakPolarHBondContact O-CB 3.25Å; L201-F205 PolarHBondContact O-N 3.37Å; I203-F205 PolarHBondContact O-N 2.81Å; F205-A208 PolarHBondContact O-N 3.45Å; F205-G209 PolarHBondContact O-N 3.16Å; F205-F227 AromaticContact CD1-CD1 3.95Å; F205-F227 HydrophobicContact CD1-CD1 3.95Å; F205-F227 HydrophobicContact CD2-CD1 4.27Å; F205-F227 HydrophobicContact CD2-CE1 4.11Å; F205-F227 AromaticContact CE1-CD1 3.52Å; F205-F227 HydrophobicContact CE1-CD1 3.52Å; F205-F227 HydrophobicContact CE1-CE1 4.09Å; F205-F227 HydrophobicContact CE1-CG 4.47Å; F205-F227 AromaticContact CE2-CD1 3.88Å; F205-F227 HydrophobicContact CE2-CD1 3.88Å; F205-F227 AromaticContact CE2-CE1 3.56Å; F205-F227 HydrophobicContact CE2-CE1 3.56Å; F205-F227 HydrophobicContact CG-CD1 4.31Å; F205-F227 AromaticContact CZ-CD1 3.49Å; F205-F227 HydrophobicContact CZ-CD1 3.49Å; F205-F227 VanDerWaalsContact CZ-CD1 3.49Å; F205-F227 AromaticContact CZ-CE1 3.56Å; F205-F227 HydrophobicContact CZ-CE1 3.56Å; F205-F227 WeakPolarHBondContact O-CD1 3.49Å; F205-A386 HydrophobicContact CE1-CB 4.29Å; F205-A386 HydrophobicContact CZ-CB 3.73Å; F205-F404 HydrophobicContact CZ-CB 4.37Å; F205-F406 HydrophobicContact CB-CD1 4.01Å; F205-F406 HydrophobicContact CB-CD2 4.35Å; F205-F406 HydrophobicContact CB-CE1 4.31Å; F205-F406 HydrophobicContact CB-CG 4.07Å; F205-F406 HydrophobicContact CD1-CB 4.05Å; F205-F406 HydrophobicContact CD1-CD1 4.46Å; F205-F406 HydrophobicContact CD1-CG 4.26Å; F205-F406 HydrophobicContact CD2-CB 3.67Å; F205-F406 HydrophobicContact CD2-CD1 4.39Å; F205-F406 AromaticContact CD2-CD2 3.69Å; F205-F406 HydrophobicContact CD2-CD2 3.69Å; F205-F406 AromaticContact CD2-CG 3.62Å; F205-F406 HydrophobicContact CD2-CG 3.62Å; F205-F406 HydrophobicContact CE1-CB 3.98Å; F205-F406 HydrophobicContact CE2-CB 3.6Å; F205-F406 HydrophobicContact CE2-CD2 4.25Å; F205-F406 HydrophobicContact CE2-CG 4.08Å; F205-F406 HydrophobicContact CG-CB 3.88Å; F205-F406 HydrophobicContact CG-CD1 4.04Å; F205-F406 HydrophobicContact CG-CD2 4.14Å; F205-F406 AromaticContact CG-CG 3.71Å; F205-F406 HydrophobicContact CG-CG 3.71Å; F205-F406 HydrophobicContact CZ-CB 3.75Å; F205-I445 HydrophobicContact CE2-CD1 4.07Å; F205-I445 HydrophobicContact CE2-CG1 4.42Å; F205-V495 HydrophobicContact CD2-CG1 4.21Å; F205-F501 HydrophobicContact CB-CE2 4.35Å; F205-F501 HydrophobicContact CB-CZ 4.28Å
206	L	98.2	Very high	96.7	Very high	13 Å²	13	48.4 Å²	48.4	7%	0.068	26%	0.257	C	S	.	.	H	α-helix	trans	-65.5	-43.6	174.2	-56.9	-177.9	0	0	0	112.1	S202 I203 A208 G209 I210 F227 M228 L229	S202-L206 WeakPolarHBondContact O-CG 3.35Å; S202-L206 PolarHBondContact O-N 2.83Å; I203-L206 PolarHBondContact O-N 3.37Å; L206-A208 VanDerWaalsContact C-N 3.31Å; L206-A208 PolarHBondContact O-N 3.32Å; L206-G209 PolarHBondContact O-N 3.3Å; L206-I210 WeakPolarHBondContact O-CG1 3.36Å; L206-I210 PolarHBondContact O-N 3.44Å; L206-I210 VanDerWaalsContact O-N 3.12Å; L206-F227 HydrophobicContact CD2-CB 4.26Å; L206-M228 VanDerWaalsContact CD2-C 3.43Å; L206-L229 HydrophobicContact CD1-CD1 4.07Å; L206-L229 HydrophobicContact CD1-CD2 3.94Å; L206-L229 HydrophobicContact CD1-CG 3.65Å; L206-L229 HydrophobicContact CD2-CD2 4.39Å; L206-L229 HydrophobicContact CD2-CG 4.29Å; L206-L229 HydrophobicContact CG-CD2 4.21Å; L206-L229 HydrophobicContact CG-CG 4.29Å
207	Q	98.5	Very high	97	Very high	76 Å²	76	47.3 Å²	47.3	36%	0.355	24%	0.243	S	C	.	.	H	α-helix	trans	-62.6	-40	178.7	-73	178.8	-22.6	0	0	111.4	I203 A204 G209 I210 E211 A500	I203-Q207 HydrophobicContact CG2-CG 4.46Å; I203-Q207 WeakPolarHBondContact O-CG 3.14Å; I203-Q207 PolarHBondContact O-N 3.17Å; A204-Q207 PolarHBondContact O-N 3.18Å; Q207-G209 VanDerWaalsContact C-N 3.31Å; Q207-G209 PolarHBondContact O-N 2.86Å; Q207-I210 WeakPolarHBondContact O-CB 3.49Å; Q207-I210 PolarHBondContact O-N 3.24Å; Q207-I210 VanDerWaalsContact O-N 3.13Å; Q207-E211 WeakPolarHBondContact O-CG 3.36Å; Q207-E211 PolarHBondContact O-N 3.12Å; Q207-A500 HydrophobicContact CB-CB 3.64Å
208	A	98.7	Very high	97.2	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-59.5	-42.1	174.2	0	0	0	0	0	111.8	A204 F205 L206 I210 E211 M212 V495 T498 A500 F501	A204-A208 VanDerWaalsContact O-CB 3.31Å; A204-A208 WeakPolarHBondContact O-CB 3.45Å; A204-A208 PolarHBondContact O-N 2.8Å; F205-A208 PolarHBondContact O-N 3.45Å; L206-A208 VanDerWaalsContact C-N 3.31Å; L206-A208 PolarHBondContact O-N 3.32Å; A208-I210 VanDerWaalsContact C-N 3.34Å; A208-I210 PolarHBondContact O-N 3.22Å; A208-E211 PolarHBondContact O-N 2.89Å; A208-M212 WeakPolarHBondContact O-CB 3.49Å; A208-M212 VanDerWaalsContact O-CG 3.23Å; A208-M212 WeakPolarHBondContact O-CG 3.47Å; A208-M212 PolarHBondContact O-N 2.92Å; A208-V495 HydrophobicContact CB-CG1 3.87Å; A208-T498 HydrophobicContact CB-CG2 3.82Å; A208-T498 WeakPolarHBondContact CB-OG1 3.46Å; A208-A500 HydrophobicContact CB-CB 4.33Å; A208-F501 HydrophobicContact CB-CD2 3.9Å; A208-F501 HydrophobicContact CB-CE2 3.99Å
209	G	98.4	Very high	97.3	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-57.2	-46	172.7	0	0	0	0	0	112.7	F205 L206 Q207 M212 G213 Y214 F227	F205-G209 PolarHBondContact O-N 3.16Å; L206-G209 PolarHBondContact O-N 3.3Å; Q207-G209 VanDerWaalsContact C-N 3.31Å; Q207-G209 PolarHBondContact O-N 2.86Å; G209-M212 CarbonylContact O-C 3.56Å; G209-M212 PolarHBondContact O-N 3.42Å; G209-G213 PolarHBondContact O-N 3.2Å; G209-Y214 CarbonylContact C-O 3.54Å; G209-Y214 WeakPolarHBondContact O-CA 3.33Å; G209-Y214 WeakPolarHBondContact O-CB 3.4Å; G209-Y214 PolarHBondContact O-N 3.48Å; G209-F227 VanDerWaalsContact CA-CD2 3.47Å; G209-F227 VanDerWaalsContact CA-CE2 3.44Å
210	I	98.5	Very high	97.4	Very high	100 Å²	100	41.8 Å²	41.8	51%	0.513	23%	0.225	S	C	.	.	H	α-helix	trans	-63.3	-44.8	177.7	-63.8	166.9	0	0	0	111.6	L206 Q207 A208 M212 G213 Y214 N216	L206-I210 WeakPolarHBondContact O-CG1 3.36Å; L206-I210 PolarHBondContact O-N 3.44Å; L206-I210 VanDerWaalsContact O-N 3.12Å; Q207-I210 WeakPolarHBondContact O-CB 3.49Å; Q207-I210 PolarHBondContact O-N 3.24Å; Q207-I210 VanDerWaalsContact O-N 3.13Å; A208-I210 VanDerWaalsContact C-N 3.34Å; A208-I210 PolarHBondContact O-N 3.22Å; I210-M212 PolarHBondContact O-N 2.86Å; I210-G213 PolarHBondContact O-N 3.36Å; I210-Y214 VanDerWaalsContact CA-O 3.28Å; I210-Y214 WeakPolarHBondContact CA-O 3.44Å; I210-N216 HydrophobicContact CD1-CB 4.47Å
211	E	98.4	Very high	97.4	Very high	87 Å²	87	38.8 Å²	38.8	41%	0.407	21%	0.208	S	C	.	.	H	α-helix	trans	-61	-31.6	175.5	-72.5	-178.7	-136.2	0	0	112.5	Q207 A208 G213 T498 Q499 A500	Q207-E211 WeakPolarHBondContact O-CG 3.36Å; Q207-E211 PolarHBondContact O-N 3.12Å; A208-E211 PolarHBondContact O-N 2.89Å; E211-G213 VanDerWaalsContact C-N 3.26Å; E211-G213 PolarHBondContact O-N 2.82Å; E211-T498 HydrophobicContact CB-CG2 4.2Å; E211-T498 WeakPolarHBondContact OE2-CB 3.43Å; E211-Q499 WeakPolarHBondContact OE2-CB 3.29Å; E211-Q499 PolarHBondContact OE2-N 3.12Å; E211-A500 WeakPolarHBondContact OE1-CB 3.36Å; E211-A500 PolarHBondContact OE1-N 2.93Å
212	M	97.9	Very high	97.2	Very high	49 Å²	49	41.1 Å²	41.1	24%	0.241	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	1.2	175.8	-68.9	172.6	62	0	0	113.5	A208 G209 I210 Y214 L491 N494 V495 T498	A208-M212 WeakPolarHBondContact O-CB 3.49Å; A208-M212 VanDerWaalsContact O-CG 3.23Å; A208-M212 WeakPolarHBondContact O-CG 3.47Å; A208-M212 PolarHBondContact O-N 2.92Å; G209-M212 CarbonylContact O-C 3.56Å; G209-M212 PolarHBondContact O-N 3.42Å; I210-M212 PolarHBondContact O-N 2.86Å; M212-Y214 HydrophobicContact CB-CD2 3.85Å; M212-Y214 HydrophobicContact CB-CE2 4.13Å; M212-Y214 HydrophobicContact CE-CE2 4.29Å; M212-L491 HydrophobicContact CE-CD2 4.28Å; M212-N494 HydrophobicContact CE-CB 4.01Å; M212-N494 HydrophobicContact SD-CB 4.39Å; M212-V495 HydrophobicContact CE-CG2 4.17Å; M212-V495 HydrophobicContact SD-CB 4.3Å; M212-V495 HydrophobicContact SD-CG2 3.55Å; M212-V495 VanDerWaalsContact SD-CG2 3.55Å; M212-T498 HydrophobicContact CG-CG2 3.87Å; M212-T498 HydrophobicContact SD-CG2 4.13Å
213	G	97.1	Very high	97.2	Very high	70 Å²	70	45.9 Å²	45.9	72%	0.722	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	87.3	10.6	178.6	0	0	0	0	0	115.1	G209 I210 E211	G209-G213 PolarHBondContact O-N 3.2Å; I210-G213 PolarHBondContact O-N 3.36Å; E211-G213 VanDerWaalsContact C-N 3.26Å; E211-G213 PolarHBondContact O-N 2.82Å
214	Y	97.1	Very high	97.2	Very high	49 Å²	49	42.9 Å²	42.9	19%	0.192	23%	0.233	C	C	.	.			trans	-93.9	153.7	173.8	-63.4	-87.2	0	0	0	111.4	G209 I210 M212 T225 F227 L388	G209-Y214 CarbonylContact C-O 3.54Å; G209-Y214 WeakPolarHBondContact O-CA 3.33Å; G209-Y214 WeakPolarHBondContact O-CB 3.4Å; G209-Y214 PolarHBondContact O-N 3.48Å; I210-Y214 VanDerWaalsContact CA-O 3.28Å; I210-Y214 WeakPolarHBondContact CA-O 3.44Å; M212-Y214 HydrophobicContact CB-CD2 3.85Å; M212-Y214 HydrophobicContact CB-CE2 4.13Å; M212-Y214 HydrophobicContact CE-CE2 4.29Å; Y214-T225 HydrophobicContact CD1-CG2 4.11Å; Y214-T225 HydrophobicContact CE1-CG2 4.01Å; Y214-F227 HydrophobicContact CD2-CD2 4.41Å; Y214-F227 AromaticContact CD2-CE2 3.73Å; Y214-F227 HydrophobicContact CD2-CE2 3.73Å; Y214-F227 HydrophobicContact CE2-CE2 4.43Å; Y214-F227 HydrophobicContact CG-CD2 4.1Å; Y214-F227 AromaticContact CG-CE2 3.83Å; Y214-F227 HydrophobicContact CG-CE2 3.83Å; Y214-L388 HydrophobicContact CD1-CD2 3.79Å; Y214-L388 HydrophobicContact CD2-CD2 4.11Å; Y214-L388 HydrophobicContact CE1-CD2 3.5Å; Y214-L388 HydrophobicContact CE2-CD2 3.83Å; Y214-L388 HydrophobicContact CG-CD2 4.08Å
215	E	96.8	Very high	97.1	Very high	118 Å²	118	43.7 Å²	43.7	55%	0.551	24%	0.238	S	C	*	.			trans	-87.7	149.2	174.6	-69.8	178.9	-158.7	0	0	112.3	R217 G226 F227	E215-R217 IonicContact OE1-NH2 3.36Å; E215-R217 PolarHBondContact OE1-NH2 3.38Å; E215-R217 IonicContact OE2-CZ 2.93Å; E215-R217 IonicContact OE2-NE 2.68Å; E215-R217 PolarHBondContact OE2-NE 2.87Å; E215-R217 IonicContact OE2-NH2 2.74Å; E215-R217 PolarHBondContact OE2-NH2 3.31Å; E215-G226 WeakPolarHBondContact O-CA 3.49Å; E215-F227 PolarHBondContact O-N 2.81Å
216	N	96.9	Very high	97.1	Very high	88 Å²	88	43.7 Å²	43.7	47%	0.471	24%	0.238	S	C	.	.	B	Isolated β-bridge	trans	-80.4	110.6	159.7	176.4	25.7	0	0	0	108.8	I210 F227	I210-N216 HydrophobicContact CD1-CB 4.47Å; N216-F227 VanDerWaalsContact CA-O 3.26Å; N216-F227 WeakPolarHBondContact CA-O 3.25Å; N216-F227 PolarHBondContact OD1-O 3.41Å
217	R	95.1	Very high	97.1	Very high	49 Å²	49	43 Å²	43	19%	0.185	24%	0.235	C	C	.	.			trans	-145.6	165.3	-172.3	65	174.4	63.7	168.9	-15.1	113.1	E215 I219 Q223 T225 F227 M228	E215-R217 IonicContact OE1-NH2 3.36Å; E215-R217 PolarHBondContact OE1-NH2 3.38Å; E215-R217 IonicContact OE2-CZ 2.93Å; E215-R217 IonicContact OE2-NE 2.68Å; E215-R217 PolarHBondContact OE2-NE 2.87Å; E215-R217 IonicContact OE2-NH2 2.74Å; E215-R217 PolarHBondContact OE2-NH2 3.31Å; R217-I219 PolarHBondContact O-N 2.79Å; R217-Q223 VanDerWaalsContact NH2-OE1 3.16Å; R217-T225 WeakPolarHBondContact CD-O 3.18Å; R217-T225 VanDerWaalsContact CZ-O 3.23Å; R217-T225 PolarHBondContact NE-O 2.54Å; R217-T225 PolarHBondContact NH1-O 3.13Å; R217-F227 PolarHBondContact N-O 3.13Å; R217-M228 WeakPolarHBondContact O-CB 3.38Å
218	D	96.4	Very high	97	Very high	31 Å²	31	39.8 Å²	39.8	17%	0.166	22%	0.22	C	C	.	.			trans	-77.3	104.7	170.6	171.9	36.7	0	0	0	110.9	L178 H184 N220 G221 Q231	L178-D218 HydrophobicContact CD2-CB 3.97Å; H184-D218 IonicContact CD2-OD2 2.75Å; H184-D218 IonicContact CE1-OD2 3.01Å; H184-D218 IonicContact NE2-OD1 3.57Å; H184-D218 IonicContact NE2-OD2 3.58Å; H184-D218 PolarHBondContact NE2-OD2 3.2Å; D218-N220 PolarHBondContact O-N 2.91Å; D218-N220 PolarHBondContact OD1-N 3.24Å; D218-N220 VanDerWaalsContact OD1-N 3.15Å; D218-G221 PolarHBondContact O-N 2.87Å; D218-G221 VanDerWaalsContact OD2-CA 3.28Å; D218-G221 WeakPolarHBondContact OD2-CA 3.33Å; D218-G221 PolarHBondContact OD2-N 2.75Å; D218-G221 VanDerWaalsContact OD2-N 3.09Å; D218-Q231 PolarHBondContact OD1-NE2 3.4Å
219	I	96.6	Very high	97	Very high	4 Å²	4	40.5 Å²	40.5	2%	0.021	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-18.2	-179.8	71.2	94.2	0	0	0	112.6	V140 R217 G221 Q224 M228 F387	V140-I219 HydrophobicContact CB-CD1 4.06Å; V140-I219 HydrophobicContact CG1-CD1 3.62Å; V140-I219 HydrophobicContact CG2-CD1 3.77Å; R217-I219 PolarHBondContact O-N 2.79Å; I219-G221 VanDerWaalsContact C-N 3.29Å; I219-Q224 HydrophobicContact CB-CG 4.33Å; I219-Q224 WeakPolarHBondContact CG2-O 3.46Å; I219-M228 HydrophobicContact CB-SD 3.69Å; I219-M228 HydrophobicContact CD1-SD 4.38Å; I219-M228 HydrophobicContact CG1-CG 4.23Å; I219-M228 HydrophobicContact CG1-SD 3.07Å; I219-M228 WeakPolarHBondContact CG1-SD 3.39Å; I219-M228 HydrophobicContact CG2-CB 4.32Å; I219-M228 HydrophobicContact CG2-CG 3.83Å; I219-M228 HydrophobicContact CG2-SD 3.49Å; I219-M228 WeakPolarHBondContact CG2-SD 3.22Å; I219-M228 PolarHBondContact N-SD 2.78Å; I219-F387 HydrophobicContact CB-CD2 4.14Å; I219-F387 HydrophobicContact CB-CE2 4.24Å; I219-F387 HydrophobicContact CD1-CE2 3.8Å; I219-F387 HydrophobicContact CD1-CZ 4.27Å; I219-F387 HydrophobicContact CG1-CD2 4.43Å; I219-F387 HydrophobicContact CG1-CE2 4.03Å; I219-F387 HydrophobicContact CG2-CD2 3.9Å; I219-F387 HydrophobicContact CG2-CE2 4.33Å
220	N	97.4	Very high	96.9	Very high	3 Å²	3	40.8 Å²	40.8	2%	0.016	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90	2.6	176.2	-71.1	-46.9	0	0	0	112.4	Y139 V140 R141 D218 Q231	Y139-N220 PolarHBondContact O-ND2 2.98Å; V140-N220 WeakPolarHBondContact CA-OD1 3.32Å; R141-N220 HydrophobicContact CG-CB 4.4Å; R141-N220 PolarHBondContact N-OD1 3.34Å; R141-N220 PolarHBondContact NH1-O 3.44Å; D218-N220 PolarHBondContact O-N 2.91Å; D218-N220 PolarHBondContact OD1-N 3.24Å; D218-N220 VanDerWaalsContact OD1-N 3.15Å; N220-Q231 PolarHBondContact ND2-OE1 2.88Å
221	G	95.8	Very high	96.8	Very high	10 Å²	10	36.1 Å²	36.1	10%	0.103	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-138.9	-179.9	0	0	0	0	0	113.4	D218 I219	D218-G221 PolarHBondContact O-N 2.87Å; D218-G221 VanDerWaalsContact OD2-CA 3.28Å; D218-G221 WeakPolarHBondContact OD2-CA 3.33Å; D218-G221 PolarHBondContact OD2-N 2.75Å; D218-G221 VanDerWaalsContact OD2-N 3.09Å; I219-G221 VanDerWaalsContact C-N 3.29Å
222	A	94.3	Very high	96.8	Very high	48 Å²	48	32 Å²	32	40%	0.397	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-33.7	-174	0	0	0	0	0	114.4	Y183	Y183-A222 HydrophobicContact CE1-CB 4.41Å; Y183-A222 HydrophobicContact CE2-CB 3.69Å; Y183-A222 WeakPolarHBondContact OH-CB 3.38Å
223	Q	95.2	Very high	96.8	Very high	101 Å²	101	29.7 Å²	29.7	47%	0.472	17%	0.171	S	C	.	.			trans	-134.6	140.5	-175.7	-65	-176.9	-1	0	0	110.3	R217 D398	R217-Q223 VanDerWaalsContact NH2-OE1 3.16Å; Q223-D398 WeakPolarHBondContact CA-OD2 3.2Å
224	Q	96.6	Very high	96.7	Very high	4 Å²	4	26.4 Å²	26.4	2%	0.019	14%	0.136	C	C	.	.			trans	-96.6	-39.2	-174.8	-168.1	177.2	41.3	0	0	113.3	S143 I219 G226 F387 D398 P400 N582	S143-Q224 VanDerWaalsContact CB-OE1 3.31Å; I219-Q224 HydrophobicContact CB-CG 4.33Å; I219-Q224 WeakPolarHBondContact CG2-O 3.46Å; Q224-G226 PolarHBondContact O-N 2.87Å; Q224-F387 HydrophobicContact CG-CB 4.09Å; Q224-F387 HydrophobicContact CG-CD1 3.93Å; Q224-F387 HydrophobicContact CG-CD2 4.2Å; Q224-F387 HydrophobicContact CG-CE1 4.45Å; Q224-F387 HydrophobicContact CG-CG 3.81Å; Q224-D398 PolarHBondContact N-OD1 3.3Å; Q224-D398 PolarHBondContact N-OD2 3.05Å; Q224-P400 HydrophobicContact CB-CG 4.29Å; Q224-P400 HydrophobicContact CG-CG 4.12Å; Q224-N582 PolarHBondContact NE2-O 3.13Å
225	T	97.3	Very high	96.5	Very high	17 Å²	17	26 Å²	26	10%	0.104	14%	0.135	C	C	.	.	S	Bend	trans	-62.2	122.2	-175.6	-56.3	0	0	0	0	110.5	Y214 R217 F387 D398	Y214-T225 HydrophobicContact CD1-CG2 4.11Å; Y214-T225 HydrophobicContact CE1-CG2 4.01Å; R217-T225 WeakPolarHBondContact CD-O 3.18Å; R217-T225 VanDerWaalsContact CZ-O 3.23Å; R217-T225 PolarHBondContact NE-O 2.54Å; R217-T225 PolarHBondContact NH1-O 3.13Å; T225-F387 CarbonylContact C-O 3.56Å; T225-F387 WeakPolarHBondContact CA-O 3.33Å; T225-F387 WeakPolarHBondContact CG2-O 3.49Å; T225-D398 WeakPolarHBondContact CB-OD1 3.47Å; T225-D398 PolarHBondContact N-OD1 2.94Å; T225-D398 PolarHBondContact OG1-OD1 2.79Å
226	G	97.8	Very high	96.2	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	151	-174.8	-177	0	0	0	0	0	113.1	E215 Q224 A386 F387	E215-G226 WeakPolarHBondContact O-CA 3.49Å; Q224-G226 PolarHBondContact O-N 2.87Å; G226-A386 CarbonylContact O-C 3.59Å; G226-A386 WeakPolarHBondContact O-CA 3.22Å; G226-F387 PolarHBondContact N-O 3.32Å; G226-F387 PolarHBondContact O-N 2.56Å
227	F	98.6	Very high	95.9	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	148.3	177.6	-75.8	-116.6	0	0	0	109.5	F205 L206 G209 Y214 E215 N216 R217 A386 L388 V495	F205-F227 AromaticContact CD1-CD1 3.95Å; F205-F227 HydrophobicContact CD1-CD1 3.95Å; F205-F227 HydrophobicContact CD2-CD1 4.27Å; F205-F227 HydrophobicContact CD2-CE1 4.11Å; F205-F227 AromaticContact CE1-CD1 3.52Å; F205-F227 HydrophobicContact CE1-CD1 3.52Å; F205-F227 HydrophobicContact CE1-CE1 4.09Å; F205-F227 HydrophobicContact CE1-CG 4.47Å; F205-F227 AromaticContact CE2-CD1 3.88Å; F205-F227 HydrophobicContact CE2-CD1 3.88Å; F205-F227 AromaticContact CE2-CE1 3.56Å; F205-F227 HydrophobicContact CE2-CE1 3.56Å; F205-F227 HydrophobicContact CG-CD1 4.31Å; F205-F227 AromaticContact CZ-CD1 3.49Å; F205-F227 HydrophobicContact CZ-CD1 3.49Å; F205-F227 VanDerWaalsContact CZ-CD1 3.49Å; F205-F227 AromaticContact CZ-CE1 3.56Å; F205-F227 HydrophobicContact CZ-CE1 3.56Å; F205-F227 WeakPolarHBondContact O-CD1 3.49Å; L206-F227 HydrophobicContact CD2-CB 4.26Å; G209-F227 VanDerWaalsContact CA-CD2 3.47Å; G209-F227 VanDerWaalsContact CA-CE2 3.44Å; Y214-F227 HydrophobicContact CD2-CD2 4.41Å; Y214-F227 AromaticContact CD2-CE2 3.73Å; Y214-F227 HydrophobicContact CD2-CE2 3.73Å; Y214-F227 HydrophobicContact CE2-CE2 4.43Å; Y214-F227 HydrophobicContact CG-CD2 4.1Å; Y214-F227 AromaticContact CG-CE2 3.83Å; Y214-F227 HydrophobicContact CG-CE2 3.83Å; E215-F227 PolarHBondContact O-N 2.81Å; N216-F227 VanDerWaalsContact CA-O 3.26Å; N216-F227 WeakPolarHBondContact CA-O 3.25Å; N216-F227 PolarHBondContact OD1-O 3.41Å; R217-F227 PolarHBondContact N-O 3.13Å; F227-A386 HydrophobicContact CB-CB 4.49Å; F227-A386 HydrophobicContact CD1-CB 3.65Å; F227-A386 HydrophobicContact CD2-CB 3.87Å; F227-A386 HydrophobicContact CE1-CB 3.69Å; F227-A386 HydrophobicContact CE2-CB 3.92Å; F227-A386 HydrophobicContact CG-CB 3.73Å; F227-A386 HydrophobicContact CZ-CB 3.82Å; F227-L388 HydrophobicContact CD2-CD2 4.22Å; F227-L388 HydrophobicContact CE2-CD2 3.47Å; F227-L388 VanDerWaalsContact CE2-CD2 3.47Å; F227-L388 HydrophobicContact CZ-CD1 4.45Å; F227-L388 HydrophobicContact CZ-CD2 4.08Å; F227-V495 HydrophobicContact CE1-CG2 4.23Å; F227-V495 HydrophobicContact CZ-CG2 4.13Å
228	M	97.2	Very high	95.9	Very high	8 Å²	8	20.4 Å²	20.4	4%	0.039	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	164.1	170.6	76.8	175.1	-71.6	0	0	112.8	L206 R217 I219 Q231 G384 V385	L206-M228 VanDerWaalsContact CD2-C 3.43Å; R217-M228 WeakPolarHBondContact O-CB 3.38Å; I219-M228 HydrophobicContact CB-SD 3.69Å; I219-M228 HydrophobicContact CD1-SD 4.38Å; I219-M228 HydrophobicContact CG1-CG 4.23Å; I219-M228 HydrophobicContact CG1-SD 3.07Å; I219-M228 WeakPolarHBondContact CG1-SD 3.39Å; I219-M228 HydrophobicContact CG2-CB 4.32Å; I219-M228 HydrophobicContact CG2-CG 3.83Å; I219-M228 HydrophobicContact CG2-SD 3.49Å; I219-M228 WeakPolarHBondContact CG2-SD 3.22Å; I219-M228 PolarHBondContact N-SD 2.78Å; M228-Q231 HydrophobicContact CE-CB 4.43Å; M228-Q231 HydrophobicContact CE-CG 3.7Å; M228-G384 VanDerWaalsContact O-CA 3.3Å; M228-G384 WeakPolarHBondContact O-CA 3.43Å; M228-V385 HydrophobicContact CG-CG2 3.52Å; M228-V385 PolarHBondContact N-O 3.38Å; M228-V385 PolarHBondContact O-N 3.34Å; M228-V385 HydrophobicContact SD-CG2 4.24Å
229	L	96.9	Very high	95.8	Very high	14 Å²	14	19 Å²	19	7%	0.073	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	143.5	164.8	-63.1	171	0	0	0	109.7	E194 L206 Q231	E194-L229 HydrophobicContact CG-CB 4.47Å; L206-L229 HydrophobicContact CD1-CD1 4.07Å; L206-L229 HydrophobicContact CD1-CD2 3.94Å; L206-L229 HydrophobicContact CD1-CG 3.65Å; L206-L229 HydrophobicContact CD2-CD2 4.39Å; L206-L229 HydrophobicContact CD2-CG 4.29Å; L206-L229 HydrophobicContact CG-CD2 4.21Å; L206-L229 HydrophobicContact CG-CG 4.29Å; L229-Q231 PolarHBondContact O-N 3.4Å; L229-Q231 VanDerWaalsContact O-N 3.14Å
230	T	96.9	Very high	95.8	Very high	6 Å²	6	18.9 Å²	18.9	4%	0.037	10%	0.098	C	C	.	.			trans	-67.9	115.6	-173.8	-59.4	0	0	0	0	111.4	V138 V382 E383 G384	V138-T230 HydrophobicContact CB-CG2 4.25Å; V138-T230 HydrophobicContact CG1-CG2 4.16Å; V138-T230 HydrophobicContact CG2-CG2 3.93Å; T230-V382 WeakPolarHBondContact CB-O 3.33Å; T230-V382 PolarHBondContact OG1-O 2.92Å; T230-V382 VanDerWaalsContact OG1-O 3.12Å; T230-E383 PolarHBondContact N-O 2.72Å; T230-E383 VanDerWaalsContact OG1-C 3.28Å; T230-E383 PolarHBondContact OG1-O 3.41Å; T230-G384 PolarHBondContact OG1-N 2.93Å
231	Q	96.9	Very high	95.9	Very high	3 Å²	3	18.8 Å²	18.8	1%	0.014	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	131	158.5	-75.7	171	12.5	0	0	108.8	Y139 L178 V192 D218 N220 M228 L229	Y139-Q231 WeakPolarHBondContact CB-O 3.45Å; Y139-Q231 HydrophobicContact CD1-CB 4.47Å; Y139-Q231 PolarHBondContact N-O 2.69Å; L178-Q231 HydrophobicContact CD1-CG 4.47Å; V192-Q231 HydrophobicContact CG1-CB 4.04Å; D218-Q231 PolarHBondContact OD1-NE2 3.4Å; N220-Q231 PolarHBondContact ND2-OE1 2.88Å; M228-Q231 HydrophobicContact CE-CB 4.43Å; M228-Q231 HydrophobicContact CE-CG 3.7Å; L229-Q231 PolarHBondContact O-N 3.4Å; L229-Q231 VanDerWaalsContact O-N 3.14Å
232	S	97.4	Very high	96	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	147.3	-172.6	-62.4	0	0	0	0	111.6	M137 V192 Q193 I234	M137-S232 CarbonylContact O-C 3.01Å; M137-S232 VanDerWaalsContact O-CA 3.29Å; M137-S232 WeakPolarHBondContact O-CA 3.28Å; V192-S232 WeakPolarHBondContact CA-O 3.44Å; Q193-S232 PolarHBondContact N-O 2.95Å; Q193-S232 WeakPolarHBondContact O-CA 3.33Å; Q193-S232 WeakPolarHBondContact O-CB 3.5Å; Q193-S232 PolarHBondContact O-N 2.85Å; Q193-S232 VanDerWaalsContact O-O 3.06Å; S232-I234 PolarHBondContact O-N 3.14Å
233	T	97.8	Very high	96.1	Very high	1 Å²	1	16 Å²	16	1%	0.006	7%	0.073	C	C	.	.			trans	-77	74.4	171.4	43.7	0	0	0	0	110.7	M137 Y139 L190 T191 C240	M137-T233 WeakPolarHBondContact CA-OG1 3.45Å; M137-T233 PolarHBondContact O-N 2.58Å; M137-T233 PolarHBondContact O-OG1 3.44Å; Y139-T233 HydrophobicContact CD2-CG2 3.95Å; L190-T233 HydrophobicContact CD1-CG2 3.88Å; L190-T233 HydrophobicContact CD2-CG2 3.83Å; L190-T233 HydrophobicContact CG-CG2 3.97Å; T191-T233 WeakPolarHBondContact O-CA 3.26Å; T233-C240 PolarHBondContact O-N 3.43Å
234	I	95.7	Very high	96.2	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	140.4	-175	-69.8	175.2	0	0	0	109.1	P86 M137 T191 Q193 A195 S232 A238	P86-I234 HydrophobicContact CG-CD1 4.36Å; M137-I234 HydrophobicContact SD-CD1 4.37Å; M137-I234 HydrophobicContact SD-CG1 3.96Å; T191-I234 WeakPolarHBondContact CB-O 3.09Å; T191-I234 WeakPolarHBondContact CG2-O 3.48Å; T191-I234 PolarHBondContact O-N 3.35Å; Q193-I234 HydrophobicContact CG-CB 4.19Å; Q193-I234 HydrophobicContact CG-CG2 4.42Å; Q193-I234 WeakPolarHBondContact CG-O 3.31Å; A195-I234 HydrophobicContact CB-CD1 4.43Å; S232-I234 PolarHBondContact O-N 3.14Å; I234-A238 CarbonylContact C-O 3.59Å; I234-A238 VanDerWaalsContact CA-O 3.27Å; I234-A238 WeakPolarHBondContact CA-O 3.46Å; I234-A238 WeakPolarHBondContact CG2-O 3.15Å
235	R	93.6	Very high	96.2	Very high	42 Å²	42	12 Å²	12	16%	0.158	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	118.3	172.3	-178.2	-176.5	-63.3	168.9	1.9	107.9	E31 Y189 T191 G237 A238 C240	E31-R235 IonicContact OE1-NH1 3.92Å; E31-R235 PolarHBondContact OE1-NH1 3.46Å; Y189-R235 PolarHBondContact O-NH2 2.99Å; T191-R235 HydrophobicContact CG2-CB 4.19Å; T191-R235 HydrophobicContact CG2-CG 4.43Å; T191-R235 PolarHBondContact OG1-NE 2.79Å; T191-R235 PolarHBondContact OG1-NH2 3.35Å; R235-G237 PolarHBondContact O-N 3.31Å; R235-A238 PolarHBondContact N-O 2.87Å; R235-A238 PolarHBondContact O-N 3.19Å; R235-A238 VanDerWaalsContact O-N 3.14Å; R235-C240 HydrophobicContact CB-CB 4Å
236	R	90.2	Very high	96.3	Very high	118 Å²	118	11.1 Å²	11.1	45%	0.445	5%	0.049	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.4	56.1	179.8	-55.1	-178.8	-56.6	-92	-8.7	112	E31 A238 E373	E31-R236 VanDerWaalsContact CD-NH2 3.27Å; E31-R236 IonicContact OE1-CZ 3Å; E31-R236 IonicContact OE1-NH1 3.25Å; E31-R236 PolarHBondContact OE1-NH1 3.47Å; E31-R236 IonicContact OE1-NH2 3.65Å; E31-R236 PolarHBondContact OE1-NH2 3Å; E31-R236 IonicContact OE2-CZ 3.66Å; E31-R236 IonicContact OE2-NH1 3.89Å; E31-R236 IonicContact OE2-NH2 2.92Å; E31-R236 PolarHBondContact OE2-NH2 3.26Å; R236-A238 PolarHBondContact O-N 2.88Å; R236-E373 WeakPolarHBondContact CB-OE2 3.42Å; R236-E373 VanDerWaalsContact O-CB 3.31Å; R236-E373 WeakPolarHBondContact O-CB 3.29Å
237	G	91.2	Very high	96.3	Very high	2 Å²	2	11.1 Å²	11.1	2%	0.021	5%	0.049	C	C	.	.	T	Hydrogen-bonded Turn	trans	72	-12.5	178.2	0	0	0	0	0	116.5	P86 R235	P86-G237 WeakPolarHBondContact CD-O 3.31Å; P86-G237 WeakPolarHBondContact CG-O 3.39Å; R235-G237 PolarHBondContact O-N 3.31Å
238	A	93.5	Very high	96.1	Very high	16 Å²	16	12.2 Å²	12.2	13%	0.132	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	156.9	178.7	0	0	0	0	0	112.3	D84 I234 R235 R236 C240	D84-A238 WeakPolarHBondContact O-CA 3.26Å; I234-A238 CarbonylContact C-O 3.59Å; I234-A238 VanDerWaalsContact CA-O 3.27Å; I234-A238 WeakPolarHBondContact CA-O 3.46Å; I234-A238 WeakPolarHBondContact CG2-O 3.15Å; R235-A238 PolarHBondContact N-O 2.87Å; R235-A238 PolarHBondContact O-N 3.19Å; R235-A238 VanDerWaalsContact O-N 3.14Å; R236-A238 PolarHBondContact O-N 2.88Å; A238-C240 PolarHBondContact O-N 2.95Å
239	R	95.4	Very high	96	Very high	2 Å²	2	14.4 Å²	14.4	1%	0.008	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.9	131.8	173	176.8	-175.3	-62.8	-83.1	-5.4	111.5	S83 D84 S132 V133 N135 M137 K244	S83-R239 WeakPolarHBondContact O-CD 3.25Å; S83-R239 PolarHBondContact O-NE 3.38Å; S83-R239 VanDerWaalsContact O-NE 3.08Å; D84-R239 PolarHBondContact O-N 3.03Å; S132-R239 PolarHBondContact O-NH1 3.4Å; V133-R239 WeakPolarHBondContact O-CD 3.49Å; V133-R239 PolarHBondContact O-NE 2.87Å; V133-R239 VanDerWaalsContact O-NE 3.09Å; V133-R239 PolarHBondContact O-NH1 3.1Å; N135-R239 VanDerWaalsContact O-CZ 3.25Å; N135-R239 PolarHBondContact O-NH1 2.6Å; N135-R239 PolarHBondContact O-NH2 3.27Å; N135-R239 PolarHBondContact OD1-NH1 2.87Å; M137-R239 HydrophobicContact CG-CG 4.11Å; M137-R239 HydrophobicContact SD-CB 3.81Å; M137-R239 HydrophobicContact SD-CG 3.99Å; R239-K244 WeakPolarHBondContact O-CD 3.37Å; R239-K244 PolarHBondContact O-NZ 3.41Å
240	C	96.8	Very high	95.9	Very high	2 Å²	2	14.1 Å²	14.1	1%	0.014	7%	0.067	C	C	.	.			trans	-104.3	84	169.1	-165.9	0	0	0	0	109.7	T233 R235 A238	T233-C240 PolarHBondContact O-N 3.43Å; R235-C240 HydrophobicContact CB-CB 4Å; A238-C240 PolarHBondContact O-N 2.95Å
241	S	97.9	Very high	95.6	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.069	C	C	.	.			trans	-68.2	167.8	174.6	75.9	0	0	0	0	111	E79 G243 K244 A245	E79-S241 PolarHBondContact OE1-OG 2.74Å; E79-S241 WeakPolarHBondContact OE2-CB 3.35Å; E79-S241 PolarHBondContact OE2-OG 3.29Å; E79-S241 VanDerWaalsContact OE2-OG 3.06Å; S241-G243 VanDerWaalsContact C-N 3.25Å; S241-G243 PolarHBondContact O-N 3.05Å; S241-G243 PolarHBondContact OG-N 3.49Å; S241-K244 PolarHBondContact O-N 3.1Å; S241-K244 PolarHBondContact OG-N 3.44Å; S241-A245 VanDerWaalsContact O-CB 3.28Å; S241-A245 WeakPolarHBondContact O-CB 3.39Å; S241-A245 PolarHBondContact O-N 3.5Å
242	T	98.4	Very high	95.3	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-68.9	-23.5	169.6	53.6	0	0	0	0	113.5	S53 G129 S132 F246 I590	S53-T242 WeakPolarHBondContact CA-OG1 3.26Å; G129-T242 WeakPolarHBondContact CA-OG1 3.43Å; G129-T242 PolarHBondContact O-OG1 2.88Å; S132-T242 PolarHBondContact OG-N 3.31Å; S132-T242 PolarHBondContact OG-OG1 2.85Å; T242-F246 HydrophobicContact CG2-CD2 4.17Å; T242-F246 HydrophobicContact CG2-CE2 4.28Å; T242-F246 WeakPolarHBondContact O-CB 3.42Å; T242-F246 PolarHBondContact O-N 2.97Å; T242-I590 HydrophobicContact CG2-CD1 3.51Å; T242-I590 HydrophobicContact CG2-CG1 3.78Å
243	G	97.5	Very high	95.2	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	10%	0.102	C	C	.	.	I	π-helix	trans	-60.7	-51	168.7	0	0	0	0	0	110.8	S241 I247 R248	S241-G243 VanDerWaalsContact C-N 3.25Å; S241-G243 PolarHBondContact O-N 3.05Å; S241-G243 PolarHBondContact OG-N 3.49Å; G243-I247 WeakPolarHBondContact O-CA 3.41Å; G243-I247 WeakPolarHBondContact O-CB 3.2Å; G243-I247 PolarHBondContact O-N 3.19Å; G243-R248 WeakPolarHBondContact O-CG 3.49Å; G243-R248 PolarHBondContact O-N 3.12Å
244	K	96.3	Very high	95	Very high	20 Å²	20	31.6 Å²	31.6	9%	0.087	14%	0.142	C	C	.	.	I	π-helix	trans	-68.3	-40.6	176.6	-69.7	-178.9	-170.7	178.5	0	114.3	E79 D84 R239 S241 P249	E79-K244 WeakPolarHBondContact OE2-CE 3.33Å; D84-K244 VanDerWaalsContact OD1-CE 3.23Å; D84-K244 WeakPolarHBondContact OD1-CE 3.35Å; D84-K244 IonicContact OD1-NZ 3.48Å; D84-K244 PolarHBondContact OD1-NZ 3.5Å; D84-K244 IonicContact OD2-NZ 3.68Å; D84-K244 PolarHBondContact OD2-NZ 3.14Å; R239-K244 WeakPolarHBondContact O-CD 3.37Å; R239-K244 PolarHBondContact O-NZ 3.41Å; S241-K244 PolarHBondContact O-N 3.1Å; S241-K244 PolarHBondContact OG-N 3.44Å; K244-P249 VanDerWaalsContact O-CD 3.28Å; K244-P249 WeakPolarHBondContact O-CD 3.4Å
245	A	97.6	Very high	95.1	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	15%	0.147	C	C	.	.	I	π-helix	trans	-71.3	-49.7	-177.8	0	0	0	0	0	111	Y189 L190 S241 P249	Y189-A245 WeakPolarHBondContact CB-O 3.42Å; Y189-A245 WeakPolarHBondContact CD1-O 3.49Å; Y189-A245 WeakPolarHBondContact O-CA 3.42Å; Y189-A245 WeakPolarHBondContact O-CB 3.23Å; L190-A245 HydrophobicContact CB-CB 4.4Å; L190-A245 HydrophobicContact CD1-CB 4.03Å; S241-A245 VanDerWaalsContact O-CB 3.28Å; S241-A245 WeakPolarHBondContact O-CB 3.39Å; S241-A245 PolarHBondContact O-N 3.5Å; A245-P249 WeakPolarHBondContact O-CG 3.28Å
246	F	98.2	Very high	95.2	Very high	0 Å²	0	31 Å²	31	0%	0	14%	0.141	C	C	.	.	I	π-helix	trans	-109.1	-26.9	-167.1	-64.4	-88.6	0	0	0	114.2	A56 V57 N60 Y189 L190 T242 V250 I590	A56-F246 HydrophobicContact CB-CB 4.3Å; V57-F246 HydrophobicContact CB-CD1 4.35Å; V57-F246 HydrophobicContact CB-CE1 4.47Å; V57-F246 HydrophobicContact CG1-CD1 4.41Å; V57-F246 HydrophobicContact CG1-CE1 4.24Å; V57-F246 HydrophobicContact CG2-CD1 3.89Å; V57-F246 HydrophobicContact CG2-CD2 3.87Å; V57-F246 HydrophobicContact CG2-CE1 3.81Å; V57-F246 HydrophobicContact CG2-CE2 3.82Å; V57-F246 HydrophobicContact CG2-CG 3.91Å; V57-F246 HydrophobicContact CG2-CZ 3.78Å; N60-F246 HydrophobicContact CB-CB 4.1Å; N60-F246 HydrophobicContact CB-CD1 4.49Å; N60-F246 WeakPolarHBondContact CB-O 3.27Å; N60-F246 PolarHBondContact ND2-O 3.19Å; Y189-F246 AromaticContact CD2-CD1 3.92Å; Y189-F246 HydrophobicContact CD2-CD1 3.92Å; Y189-F246 AromaticContact CD2-CE1 3.9Å; Y189-F246 HydrophobicContact CD2-CE1 3.9Å; Y189-F246 HydrophobicContact CG-CD1 4.03Å; Y189-F246 HydrophobicContact CG-CE1 4.12Å; L190-F246 HydrophobicContact CB-CE2 4.2Å; L190-F246 HydrophobicContact CB-CZ 4.38Å; T242-F246 HydrophobicContact CG2-CD2 4.17Å; T242-F246 HydrophobicContact CG2-CE2 4.28Å; T242-F246 WeakPolarHBondContact O-CB 3.42Å; T242-F246 PolarHBondContact O-N 2.97Å; F246-V250 VanDerWaalsContact O-CG2 3.24Å; F246-V250 WeakPolarHBondContact O-CG2 3.3Å; F246-I590 HydrophobicContact CE2-CG2 4.09Å; F246-I590 HydrophobicContact CZ-CG2 3.89Å
247	I	97.8	Very high	95.6	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.125	C	C	.	.	I	π-helix	trans	-97.1	-51.1	-175.2	-58.7	-52.6	0	0	0	112.4	V34 A56 A59 L72 L128 G243 V250 R251 F256 V258	V34-I247 HydrophobicContact CG1-CG2 3.58Å; A56-I247 HydrophobicContact CB-CD1 4.02Å; A56-I247 HydrophobicContact CB-CG1 3.84Å; A56-I247 WeakPolarHBondContact O-CD1 3.33Å; A59-I247 HydrophobicContact CB-CD1 4.23Å; L72-I247 HydrophobicContact CD2-CD1 4.07Å; L72-I247 HydrophobicContact CD2-CG1 4.39Å; L128-I247 HydrophobicContact CD1-CG1 4.23Å; L128-I247 HydrophobicContact CD1-CG2 4.4Å; L128-I247 HydrophobicContact CD2-CG2 3.99Å; G243-I247 WeakPolarHBondContact O-CA 3.41Å; G243-I247 WeakPolarHBondContact O-CB 3.2Å; G243-I247 PolarHBondContact O-N 3.19Å; I247-V250 WeakPolarHBondContact O-CG2 3.22Å; I247-V250 PolarHBondContact O-N 3.42Å; I247-V250 VanDerWaalsContact O-N 3.09Å; I247-R251 PolarHBondContact O-N 2.96Å; I247-R251 VanDerWaalsContact O-N 3.14Å; I247-F256 HydrophobicContact CD1-CE1 4.22Å; I247-F256 HydrophobicContact CD1-CZ 3.88Å; I247-F256 HydrophobicContact CG2-CE1 4.19Å; I247-F256 HydrophobicContact CG2-CZ 4.39Å; I247-V258 HydrophobicContact CG2-CG2 4.1Å
248	R	95.1	Very high	95.9	Very high	22 Å²	22	26.5 Å²	26.5	8%	0.083	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-56.4	-44.1	-176	-59.5	-167.6	-174.4	177.2	0.6	113.4	P30 E31 E79 G243 V250 R251	P30-R248 CarbonylContact O-C 3.56Å; P30-R248 WeakPolarHBondContact O-CB 3.35Å; P30-R248 VanDerWaalsContact O-O 3.11Å; E31-R248 WeakPolarHBondContact O-CD 3.5Å; E31-R248 PolarHBondContact O-NH1 3.13Å; E79-R248 IonicContact OE1-NH2 2.7Å; G243-R248 WeakPolarHBondContact O-CG 3.49Å; G243-R248 PolarHBondContact O-N 3.12Å; R248-V250 PolarHBondContact O-N 3.21Å; R248-R251 WeakPolarHBondContact O-CB 3.35Å; R248-R251 WeakPolarHBondContact O-CD 3.36Å; R248-R251 VanDerWaalsContact O-CG 3.27Å; R248-R251 WeakPolarHBondContact O-CG 3.27Å; R248-R251 PolarHBondContact O-N 3.33Å
249	P	94.7	Very high	96.1	Very high	55 Å²	55	25.7 Å²	25.7	36%	0.357	12%	0.119	S	C	.	.	G	3₁₀ helix	trans	-64.6	-17.1	-178.9	-24.9	37.3	0	0	0	114.3	Y189 K244 A245	Y189-P249 HydrophobicContact CD1-CG 4.45Å; Y189-P249 HydrophobicContact CE1-CB 4.26Å; K244-P249 VanDerWaalsContact O-CD 3.28Å; K244-P249 WeakPolarHBondContact O-CD 3.4Å; A245-P249 WeakPolarHBondContact O-CG 3.28Å
250	V	94.9	Very high	96.2	Very high	7 Å²	7	26.2 Å²	26.2	4%	0.042	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-118	7.7	-174.7	-54.6	0	0	0	0	113.3	N60 F246 I247 R248 Q252 R253 F256	N60-V250 HydrophobicContact CB-CG2 4.47Å; N60-V250 VanDerWaalsContact ND2-CG1 3.33Å; N60-V250 WeakPolarHBondContact ND2-CG1 3.43Å; F246-V250 VanDerWaalsContact O-CG2 3.24Å; F246-V250 WeakPolarHBondContact O-CG2 3.3Å; I247-V250 WeakPolarHBondContact O-CG2 3.22Å; I247-V250 PolarHBondContact O-N 3.42Å; I247-V250 VanDerWaalsContact O-N 3.09Å; R248-V250 PolarHBondContact O-N 3.21Å; V250-Q252 PolarHBondContact O-N 3.25Å; V250-R253 HydrophobicContact CB-CG 4.21Å; V250-R253 VanDerWaalsContact CG1-NH2 3.31Å; V250-R253 WeakPolarHBondContact O-CB 3.39Å; V250-R253 WeakPolarHBondContact O-CG 3.36Å; V250-R253 PolarHBondContact O-N 2.78Å; V250-F256 HydrophobicContact CG2-CD1 4.13Å; V250-F256 HydrophobicContact CG2-CE1 4.02Å
251	R	91.5	Very high	96.2	Very high	21 Å²	21	31.3 Å²	31.3	8%	0.079	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-17.7	-176.6	74.2	-171.9	-177.6	86.9	1.6	115	Q26 S27 D29 N32 K33 V34 I247 R248	Q26-R251 PolarHBondContact O-NH2 2.85Å; Q26-R251 VanDerWaalsContact O-NH2 3.07Å; S27-R251 PolarHBondContact O-NH2 3.45Å; D29-R251 PolarHBondContact O-NE 2.75Å; D29-R251 VanDerWaalsContact O-NE 3.1Å; D29-R251 PolarHBondContact O-NH2 2.99Å; N32-R251 WeakPolarHBondContact O-CD 3.44Å; K33-R251 WeakPolarHBondContact O-CD 3.49Å; K33-R251 PolarHBondContact O-NH1 3.29Å; V34-R251 HydrophobicContact CG1-CB 4.28Å; I247-R251 PolarHBondContact O-N 2.96Å; I247-R251 VanDerWaalsContact O-N 3.14Å; R248-R251 WeakPolarHBondContact O-CB 3.35Å; R248-R251 WeakPolarHBondContact O-CD 3.36Å; R248-R251 VanDerWaalsContact O-CG 3.27Å; R248-R251 WeakPolarHBondContact O-CG 3.27Å; R248-R251 PolarHBondContact O-N 3.33Å
252	Q	90.4	Very high	96.2	Very high	105 Å²	105	31.4 Å²	31.4	49%	0.491	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	1.4	179.7	-64	-61.3	-25.1	0	0	113.8	S27 V250 K254	S27-Q252 PolarHBondContact O-NE2 2.98Å; S27-Q252 VanDerWaalsContact O-NE2 3.09Å; V250-Q252 PolarHBondContact O-N 3.25Å; Q252-K254 PolarHBondContact O-N 3.29Å
253	R	94.7	Very high	96.2	Very high	60 Å²	60	32.6 Å²	32.6	23%	0.226	15%	0.152	C	C	.	.			trans	-67.1	118.7	177.2	-73.2	-176.8	-176	166	-0.6	110.2	N60 S63 V250 N255 F256	N60-R253 PolarHBondContact O-NH1 2.86Å; S63-R253 PolarHBondContact OG-NH1 3.33Å; V250-R253 HydrophobicContact CB-CG 4.21Å; V250-R253 VanDerWaalsContact CG1-NH2 3.31Å; V250-R253 WeakPolarHBondContact O-CB 3.39Å; V250-R253 WeakPolarHBondContact O-CG 3.36Å; V250-R253 PolarHBondContact O-N 2.78Å; R253-N255 PolarHBondContact O-N 2.83Å; R253-F256 HydrophobicContact CB-CB 3.96Å; R253-F256 PolarHBondContact O-N 3.08Å
254	K	94	Very high	96.3	Very high	191 Å²	191	33.3 Å²	33.3	83%	0.83	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-19.1	-175.7	-60.9	-175.7	179.1	-178.2	0	115.2	R41 Q252	R41-K254 PolarHBondContact NH2-O 2.98Å; Q252-K254 PolarHBondContact O-N 3.29Å
255	N	96.9	Very high	96.4	Very high	21 Å²	21	32.5 Å²	32.5	11%	0.112	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.8	5.7	-179.8	67.8	-50.2	0	0	0	113	S63 V65 W68 T69 V70 R253	S63-N255 PolarHBondContact O-ND2 3.12Å; V65-N255 PolarHBondContact O-ND2 3.42Å; W68-N255 VanDerWaalsContact O-CB 3.27Å; W68-N255 WeakPolarHBondContact O-CB 3.16Å; W68-N255 PolarHBondContact O-ND2 3.09Å; T69-N255 WeakPolarHBondContact CA-O 3.5Å; V70-N255 PolarHBondContact N-O 3.4Å; R253-N255 PolarHBondContact O-N 2.83Å
256	F	97.3	Very high	96.4	Very high	9 Å²	9	36 Å²	36	4%	0.039	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	121.1	-178.5	177.5	-138.5	0	0	0	110.8	A59 V70 L72 I247 V250 R253 V258	A59-F256 HydrophobicContact CB-CE2 3.76Å; A59-F256 HydrophobicContact CB-CZ 3.94Å; V70-F256 HydrophobicContact CB-CD2 4.2Å; V70-F256 HydrophobicContact CG1-CD2 4.19Å; V70-F256 HydrophobicContact CG1-CE2 4.46Å; V70-F256 WeakPolarHBondContact O-CA 3.49Å; L72-F256 HydrophobicContact CB-CE2 3.85Å; L72-F256 HydrophobicContact CB-CZ 4.27Å; L72-F256 HydrophobicContact CD2-CZ 4.32Å; I247-F256 HydrophobicContact CD1-CE1 4.22Å; I247-F256 HydrophobicContact CD1-CZ 3.88Å; I247-F256 HydrophobicContact CG2-CE1 4.19Å; I247-F256 HydrophobicContact CG2-CZ 4.39Å; V250-F256 HydrophobicContact CG2-CD1 4.13Å; V250-F256 HydrophobicContact CG2-CE1 4.02Å; R253-F256 HydrophobicContact CB-CB 3.96Å; R253-F256 PolarHBondContact O-N 3.08Å; F256-V258 HydrophobicContact CD1-CG2 4.43Å; F256-V258 HydrophobicContact CE1-CG2 3.62Å; F256-V258 HydrophobicContact CE2-CG2 3.83Å; F256-V258 HydrophobicContact CZ-CG2 3.25Å
257	D	97.7	Very high	96.5	Very high	18 Å²	18	36.1 Å²	36.1	10%	0.096	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	135.8	177.1	-66.2	-24.6	0	0	0	109.8	P37 R41 Y44 V70 L71 L72	P37-D257 HydrophobicContact CG-CB 4.08Å; R41-D257 IonicContact CZ-OD2 3.65Å; R41-D257 VanDerWaalsContact NH1-CG 3.34Å; R41-D257 IonicContact NH1-OD1 2.67Å; R41-D257 PolarHBondContact NH1-OD1 2.92Å; R41-D257 IonicContact NH1-OD2 3.11Å; R41-D257 PolarHBondContact NH1-OD2 2.94Å; Y44-D257 HydrophobicContact CE1-CB 4.16Å; Y44-D257 WeakPolarHBondContact CE1-OD2 3.42Å; Y44-D257 PolarHBondContact OH-OD2 2.85Å; V70-D257 PolarHBondContact O-N 3.5Å; L71-D257 WeakPolarHBondContact CA-O 3.5Å; L71-D257 HydrophobicContact CD1-CB 3.84Å; L72-D257 PolarHBondContact N-O 2.84Å
258	V	97.8	Very high	96.5	Very high	7 Å²	7	38.2 Å²	38.2	4%	0.042	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	125.4	172.6	-177.3	0	0	0	0	108.4	V34 P37 L72 L128 I247 F256 L260	V34-V258 HydrophobicContact CB-CB 4.49Å; V34-V258 HydrophobicContact CG1-CG2 4.43Å; V34-V258 HydrophobicContact CG2-CG1 4.16Å; P37-V258 WeakPolarHBondContact CD-O 3.46Å; L72-V258 HydrophobicContact CB-CG2 4.43Å; L72-V258 HydrophobicContact CD2-CG1 4.36Å; L72-V258 HydrophobicContact CD2-CG2 4.41Å; L128-V258 HydrophobicContact CD1-CG1 4.32Å; L128-V258 HydrophobicContact CD2-CG1 4.48Å; I247-V258 HydrophobicContact CG2-CG2 4.1Å; F256-V258 HydrophobicContact CD1-CG2 4.43Å; F256-V258 HydrophobicContact CE1-CG2 3.62Å; F256-V258 HydrophobicContact CE2-CG2 3.83Å; F256-V258 HydrophobicContact CZ-CG2 3.25Å; V258-L260 HydrophobicContact CG1-CD2 4.03Å
259	L	97.5	Very high	96.7	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	115.1	177.8	-159.9	63.2	0	0	0	109.9	I40 L71 L72 L73 E74 A262 Y280 R282	I40-L259 HydrophobicContact CD1-CD1 3.94Å; I40-L259 HydrophobicContact CD1-CD2 4.25Å; I40-L259 HydrophobicContact CD1-CG 4.5Å; I40-L259 HydrophobicContact CG1-CD1 4.22Å; I40-L259 HydrophobicContact CG1-CD2 4.42Å; L71-L259 HydrophobicContact CD1-CB 4.19Å; L72-L259 PolarHBondContact O-N 3.42Å; L73-L259 HydrophobicContact CD2-CB 3.97Å; L73-L259 HydrophobicContact CD2-CD2 3.92Å; E74-L259 PolarHBondContact N-O 2.81Å; L259-A262 HydrophobicContact CB-CB 4.18Å; L259-A262 HydrophobicContact CD2-CB 3.87Å; L259-A262 HydrophobicContact CG-CB 3.87Å; L259-Y280 HydrophobicContact CD2-CE2 3.71Å; L259-R282 VanDerWaalsContact CD1-NH1 3.32Å
260	L	97.6	Very high	96.9	Very high	12 Å²	12	38.4 Å²	38.4	6%	0.063	18%	0.178	C	C	.	.	S	Bend	trans	-90.6	162.1	178.6	-57.1	-179.9	0	0	0	110.3	V34 E36 E74 D78 L128 V258 A262 R282	V34-L260 HydrophobicContact CG2-CD1 3.94Å; V34-L260 HydrophobicContact CG2-CD2 4.45Å; V34-L260 HydrophobicContact CG2-CG 4.35Å; E36-L260 HydrophobicContact CG-CG 4.37Å; E36-L260 PolarHBondContact OE1-N 3.49Å; E74-L260 HydrophobicContact CB-CD2 4.06Å; E74-L260 HydrophobicContact CG-CD2 4.24Å; E74-L260 CarbonylContact O-C 3.54Å; D78-L260 HydrophobicContact CB-CD1 4.04Å; L128-L260 HydrophobicContact CB-CD2 4.2Å; L128-L260 HydrophobicContact CD2-CD2 4.47Å; V258-L260 HydrophobicContact CG1-CD2 4.03Å; L260-A262 PolarHBondContact O-N 3.06Å; L260-A262 VanDerWaalsContact O-N 3.13Å; L260-R282 PolarHBondContact O-NE 2.82Å; L260-R282 VanDerWaalsContact O-NE 3.14Å
261	H	97.3	Very high	97	Very high	110 Å²	110	47.7 Å²	47.7	51%	0.509	22%	0.217	S	C	.	.	S	Bend	trans	52.3	32.7	-176.5	-54.5	-70.2	0	0	0	113	E74 G76 G77 R282	E74-H261 PolarHBondContact O-N 2.9Å; G76-H261 PolarHBondContact O-N 2.77Å; G77-H261 VanDerWaalsContact CA-CE1 3.44Å; G77-H261 WeakPolarHBondContact CA-CE1 3.47Å; G77-H261 PolarHBondContact N-CE1 3.47Å; H261-R282 WeakPolarHBondContact O-CA 3.37Å; H261-R282 WeakPolarHBondContact O-CG 3.44Å
262	A	98	Very high	97.3	Very high	1 Å²	1	53.6 Å²	53.6	1%	0.008	25%	0.246	C	C	.	.			trans	-117.1	87.5	-176.8	0	0	0	0	0	109.9	L73 E74 L259 L260 A264 Y280 M281	L73-A262 HydrophobicContact CD2-CB 4.01Å; E74-A262 CarbonylContact C-O 3Å; E74-A262 PolarHBondContact O-N 2.92Å; L259-A262 HydrophobicContact CB-CB 4.18Å; L259-A262 HydrophobicContact CD2-CB 3.87Å; L259-A262 HydrophobicContact CG-CB 3.87Å; L260-A262 PolarHBondContact O-N 3.06Å; L260-A262 VanDerWaalsContact O-N 3.13Å; A262-A264 PolarHBondContact O-N 3.39Å; A262-Y280 HydrophobicContact CB-CD2 3.86Å; A262-Y280 HydrophobicContact CB-CE2 4.27Å; A262-M281 WeakPolarHBondContact CA-O 3.48Å
263	E	98.3	Very high	97.7	Very high	25 Å²	25	53 Å²	53	12%	0.117	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	114	-179.4	-175.1	-178.6	171	0	0	110.3	A75 W99 T265 Y280 M281 Q466	A75-E263 HydrophobicContact CB-CB 3.9Å; A75-E263 HydrophobicContact CB-CG 4.08Å; W99-E263 HydrophobicContact CH2-CG 4.32Å; E263-T265 PolarHBondContact O-N 2.81Å; E263-Y280 CarbonylContact O-C 3.57Å; E263-Y280 WeakPolarHBondContact O-CA 3.33Å; E263-Y280 WeakPolarHBondContact O-CB 3.42Å; E263-M281 PolarHBondContact N-O 2.84Å; E263-M281 PolarHBondContact O-N 2.92Å; E263-Q466 PolarHBondContact OE2-NE2 3.43Å
264	A	98.7	Very high	97.9	Very high	16 Å²	16	53.8 Å²	53.8	13%	0.132	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	132.8	170.5	0	0	0	0	0	110.6	I49 A262 V278 L307	I49-A264 HydrophobicContact CB-CB 4.36Å; I49-A264 HydrophobicContact CD1-CB 3.85Å; I49-A264 HydrophobicContact CG1-CB 4.05Å; I49-A264 HydrophobicContact CG2-CB 3.42Å; I49-A264 VanDerWaalsContact CG2-CB 3.42Å; A262-A264 PolarHBondContact O-N 3.39Å; A264-V278 HydrophobicContact CB-CG1 3.8Å; A264-L307 HydrophobicContact CB-CD1 4.36Å
265	T	98.4	Very high	98.1	Very high	2 Å²	2	44.7 Å²	44.7	1%	0.012	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	-31.1	-174.2	57.1	0	0	0	0	112.7	E263 E279 M281 P465	E263-T265 PolarHBondContact O-N 2.81Å; T265-E279 PolarHBondContact N-O 3.35Å; T265-E279 PolarHBondContact OG1-O 3.21Å; T265-E279 VanDerWaalsContact OG1-O 3.11Å; T265-E279 PolarHBondContact OG1-OE1 2.79Å; T265-M281 HydrophobicContact CG2-CB 4.26Å; T265-P465 HydrophobicContact CG2-CB 3.68Å; T265-P465 HydrophobicContact CG2-CG 3.79Å
266	R	98.3	Very high	98.2	Very high	73 Å²	73	46.6 Å²	46.6	28%	0.275	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	146	174.5	-51.9	-173.4	93.3	-170	-0.5	111.3	E279 L310	R266-E279 HydrophobicContact CB-CB 4.21Å; R266-E279 PolarHBondContact N-O 3.27Å; R266-E279 PolarHBondContact O-N 2.77Å; R266-L310 VanDerWaalsContact CZ-O 3.3Å; R266-L310 PolarHBondContact NE-O 3.33Å; R266-L310 PolarHBondContact NH2-O 2.74Å
267	I	98.9	Very high	98.2	Very high	4 Å²	4	46.1 Å²	46.1	2%	0.021	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	130.7	160.3	-57.9	176	0	0	0	106.9	I49 F269 A275 V295 L307 L308 S311 V569	I49-I267 HydrophobicContact CD1-CG1 4.43Å; I267-F269 HydrophobicContact CB-CE2 3.96Å; I267-F269 HydrophobicContact CB-CZ 4.19Å; I267-F269 HydrophobicContact CG2-CD2 4.38Å; I267-F269 HydrophobicContact CG2-CE1 4.17Å; I267-F269 HydrophobicContact CG2-CE2 3.82Å; I267-F269 HydrophobicContact CG2-CZ 3.7Å; I267-A275 HydrophobicContact CG2-CB 3.76Å; I267-V295 HydrophobicContact CD1-CG1 4Å; I267-V295 HydrophobicContact CG1-CG1 4.21Å; I267-V295 HydrophobicContact CG2-CG2 4.31Å; I267-L307 HydrophobicContact CD1-CD2 4.31Å; I267-L307 HydrophobicContact CD1-CG 4.49Å; I267-L307 HydrophobicContact CG1-CD1 4.49Å; I267-L307 HydrophobicContact CG1-CD2 4.33Å; I267-L307 HydrophobicContact CG1-CG 4.34Å; I267-L308 HydrophobicContact CD1-CD2 4.17Å; I267-S311 PolarHBondContact N-OG 3.12Å; I267-V569 HydrophobicContact CD1-CG1 3.9Å; I267-V569 HydrophobicContact CD1-CG2 4.34Å; I267-V569 HydrophobicContact CG2-CG2 4.08Å
268	L	98.8	Very high	98.3	Very high	44 Å²	44	45.3 Å²	45.3	23%	0.23	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	125.8	-179.1	-55.8	179.7	0	0	0	109	A275 I276 G277 E279 V288	L268-A275 CarbonylContact O-C 3.54Å; L268-A275 WeakPolarHBondContact O-CA 3.23Å; L268-I276 HydrophobicContact CB-CG1 4.09Å; L268-I276 WeakPolarHBondContact O-CG1 3.31Å; L268-I276 PolarHBondContact O-N 2.77Å; L268-G277 PolarHBondContact N-O 3.46Å; L268-E279 HydrophobicContact CD2-CB 4.33Å; L268-V288 HydrophobicContact CD1-CG1 3.59Å; L268-V288 HydrophobicContact CD1-CG2 4.23Å
269	F	98.8	Very high	98.3	Very high	30 Å²	30	46.2 Å²	46.2	13%	0.132	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	146.7	177.9	-63.3	-85.6	0	0	0	111.2	I267 R274 A275 V313 I327 V566 V569	I267-F269 HydrophobicContact CB-CE2 3.96Å; I267-F269 HydrophobicContact CB-CZ 4.19Å; I267-F269 HydrophobicContact CG2-CD2 4.38Å; I267-F269 HydrophobicContact CG2-CE1 4.17Å; I267-F269 HydrophobicContact CG2-CE2 3.82Å; I267-F269 HydrophobicContact CG2-CZ 3.7Å; F269-R274 CarbonylContact C-O 3.59Å; F269-R274 VanDerWaalsContact CA-O 3.27Å; F269-R274 WeakPolarHBondContact CA-O 3.36Å; F269-A275 HydrophobicContact CD1-CB 4.16Å; F269-A275 HydrophobicContact CE1-CB 3.95Å; F269-V313 HydrophobicContact CE2-CG2 4Å; F269-V313 HydrophobicContact CZ-CG2 4.01Å; F269-I327 HydrophobicContact CB-CD1 3.88Å; F269-I327 HydrophobicContact CD2-CD1 3.42Å; F269-I327 VanDerWaalsContact CD2-CD1 3.42Å; F269-I327 HydrophobicContact CE2-CD1 4.24Å; F269-I327 HydrophobicContact CG-CD1 3.93Å; F269-I327 HydrophobicContact CG-CG2 4.46Å; F269-V566 HydrophobicContact CD1-CB 4.29Å; F269-V566 HydrophobicContact CD1-CG1 4.34Å; F269-V566 HydrophobicContact CE1-CB 3.68Å; F269-V566 HydrophobicContact CE1-CG1 3.88Å; F269-V566 HydrophobicContact CE1-CG2 3.98Å; F269-V566 HydrophobicContact CZ-CB 4.29Å; F269-V566 HydrophobicContact CZ-CG1 4.17Å; F269-V566 HydrophobicContact CZ-CG2 4.28Å; F269-V569 HydrophobicContact CE1-CG2 3.68Å; F269-V569 HydrophobicContact CZ-CG2 3.84Å
270	D	98.2	Very high	98.4	Very high	51 Å²	51	46.9 Å²	46.9	27%	0.273	21%	0.214	S	C	.	.			trans	-82.8	-174.9	168.8	68.5	15.8	0	0	0	112.4	Q272 K273 R274 I276	D270-Q272 PolarHBondContact O-N 2.94Å; D270-Q272 VanDerWaalsContact OD1-C 3.29Å; D270-Q272 WeakPolarHBondContact OD1-CA 3.32Å; D270-Q272 WeakPolarHBondContact OD1-CB 3.27Å; D270-Q272 PolarHBondContact OD1-N 3.07Å; D270-K273 PolarHBondContact O-N 3.14Å; D270-K273 VanDerWaalsContact O-N 3.07Å; D270-K273 PolarHBondContact OD1-N 3.41Å; D270-K273 VanDerWaalsContact OD1-N 3.07Å; D270-R274 PolarHBondContact N-O 2.67Å; D270-R274 PolarHBondContact OD1-N 2.66Å; D270-I276 HydrophobicContact CB-CG2 4.04Å
271	K	97.6	Very high	98.4	Very high	201 Å²	201	48.5 Å²	48.5	87%	0.874	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-23.1	179.5	-64.8	-175.2	179.6	-178.7	0	113.2	K273	K271-K273 VanDerWaalsContact C-N 3.27Å
272	Q	98.1	Very high	98.3	Very high	146 Å²	146	47.1 Å²	47.1	68%	0.682	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.5	9	177.4	-68.3	71.8	28.6	0	0	111.8	D270 R274	D270-Q272 PolarHBondContact O-N 2.94Å; D270-Q272 VanDerWaalsContact OD1-C 3.29Å; D270-Q272 WeakPolarHBondContact OD1-CA 3.32Å; D270-Q272 WeakPolarHBondContact OD1-CB 3.27Å; D270-Q272 PolarHBondContact OD1-N 3.07Å; Q272-R274 PolarHBondContact O-N 2.85Å
273	K	98.4	Very high	98	Very high	91 Å²	91	50.7 Å²	50.7	40%	0.396	25%	0.25	S	C	.	.	S	Bend	trans	60.7	29	-177.5	-47.7	-175.7	-177.6	-172.8	0	113.1	D270 K271 I327 G565 V566 S567	D270-K273 PolarHBondContact O-N 3.14Å; D270-K273 VanDerWaalsContact O-N 3.07Å; D270-K273 PolarHBondContact OD1-N 3.41Å; D270-K273 VanDerWaalsContact OD1-N 3.07Å; K271-K273 VanDerWaalsContact C-N 3.27Å; K273-I327 HydrophobicContact CB-CG2 4.11Å; K273-I327 HydrophobicContact CD-CG2 4.01Å; K273-I327 WeakPolarHBondContact CD-O 3.18Å; K273-I327 WeakPolarHBondContact CE-O 3.46Å; K273-I327 HydrophobicContact CG-CG2 3.91Å; K273-I327 PolarHBondContact NZ-O 2.83Å; K273-G565 VanDerWaalsContact CD-O 3.27Å; K273-G565 WeakPolarHBondContact CD-O 3.41Å; K273-V566 HydrophobicContact CB-CG1 4.26Å; K273-V566 WeakPolarHBondContact O-CA 3.33Å; K273-V566 WeakPolarHBondContact O-CB 3.48Å; K273-S567 PolarHBondContact O-N 2.81Å
274	R	98.7	Very high	97.8	Very high	78 Å²	78	53 Å²	53	29%	0.294	28%	0.28	S	S	.	.	B	Isolated β-bridge	trans	-90.8	132.7	170.7	176.6	178.3	175.9	69	9.2	110	F269 D270 Q272 I276 R292 R293 S567	F269-R274 CarbonylContact C-O 3.59Å; F269-R274 VanDerWaalsContact CA-O 3.27Å; F269-R274 WeakPolarHBondContact CA-O 3.36Å; D270-R274 PolarHBondContact N-O 2.67Å; D270-R274 PolarHBondContact OD1-N 2.66Å; Q272-R274 PolarHBondContact O-N 2.85Å; R274-I276 PolarHBondContact O-N 3.48Å; R274-R292 PolarHBondContact NH2-O 3.45Å; R274-R293 PolarHBondContact NH2-O 3.17Å; R274-R293 VanDerWaalsContact NH2-O 3.13Å; R274-S567 CarbonylContact C-O 3.5Å; R274-S567 WeakPolarHBondContact CA-O 3.4Å; R274-S567 VanDerWaalsContact CA-OG 3.31Å; R274-S567 WeakPolarHBondContact CA-OG 3.4Å; R274-S567 VanDerWaalsContact CB-OG 3.31Å; R274-S567 WeakPolarHBondContact CB-OG 3.33Å
275	A	98.8	Very high	97.6	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	124.3	172.2	0	0	0	0	0	110.6	I267 L268 F269 V295 S567 V569	I267-A275 HydrophobicContact CG2-CB 3.76Å; L268-A275 CarbonylContact O-C 3.54Å; L268-A275 WeakPolarHBondContact O-CA 3.23Å; F269-A275 HydrophobicContact CD1-CB 4.16Å; F269-A275 HydrophobicContact CE1-CB 3.95Å; A275-V295 HydrophobicContact CB-CG2 4.13Å; A275-S567 PolarHBondContact N-O 3.33Å; A275-V569 HydrophobicContact CB-CG2 3.5Å; A275-V569 VanDerWaalsContact CB-CG2 3.5Å
276	I	98.6	Very high	97.6	Very high	60 Å²	60	67.1 Å²	67.1	31%	0.308	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	-14	-177.9	58.6	167.3	0	0	0	112.8	L268 D270 R274 F290 V291	L268-I276 HydrophobicContact CB-CG1 4.09Å; L268-I276 WeakPolarHBondContact O-CG1 3.31Å; L268-I276 PolarHBondContact O-N 2.77Å; D270-I276 HydrophobicContact CB-CG2 4.04Å; R274-I276 PolarHBondContact O-N 3.48Å; I276-F290 WeakPolarHBondContact O-CA 3.26Å; I276-F290 WeakPolarHBondContact O-CD1 3.28Å; I276-V291 PolarHBondContact O-N 3.37Å
277	G	98.6	Very high	97.5	Very high	0 Å²	0	66.4 Å²	66.4	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-179	-178.2	177.4	0	0	0	0	0	113.7	L268 V289	L268-G277 PolarHBondContact N-O 3.46Å; G277-V289 CarbonylContact C-O 3.58Å; G277-V289 WeakPolarHBondContact CA-O 3.23Å
278	V	98.8	Very high	97.5	Very high	0 Å²	0	69.4 Å²	69.4	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	127.5	179.9	-178.1	0	0	0	0	108.8	V47 I49 L73 A264 V288 V289 V295	V47-V278 HydrophobicContact CB-CG2 4.21Å; V47-V278 HydrophobicContact CG1-CB 4.34Å; V47-V278 HydrophobicContact CG1-CG2 3.88Å; I49-V278 HydrophobicContact CD1-CG1 3.77Å; I49-V278 HydrophobicContact CD1-CG2 3.96Å; I49-V278 HydrophobicContact CG1-CG1 4.34Å; L73-V278 HydrophobicContact CD1-CG1 3.97Å; A264-V278 HydrophobicContact CB-CG1 3.8Å; V278-V288 WeakPolarHBondContact O-CA 3.26Å; V278-V289 HydrophobicContact CB-CG1 4.15Å; V278-V289 PolarHBondContact N-O 3.01Å; V278-V289 PolarHBondContact O-N 3.17Å; V278-V295 HydrophobicContact CG2-CB 4.39Å; V278-V295 HydrophobicContact CG2-CG1 3.75Å; V278-V295 HydrophobicContact CG2-CG2 3.67Å
279	E	98.6	Very high	97.5	Very high	26 Å²	26	67.4 Å²	67.4	12%	0.121	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	129.8	167.4	-175.4	-178.6	101.7	0	0	109.1	T265 R266 L268 K286 N287	T265-E279 PolarHBondContact N-O 3.35Å; T265-E279 PolarHBondContact OG1-O 3.21Å; T265-E279 VanDerWaalsContact OG1-O 3.11Å; T265-E279 PolarHBondContact OG1-OE1 2.79Å; R266-E279 HydrophobicContact CB-CB 4.21Å; R266-E279 PolarHBondContact N-O 3.27Å; R266-E279 PolarHBondContact O-N 2.77Å; L268-E279 HydrophobicContact CD2-CB 4.33Å; E279-K286 VanDerWaalsContact CD-CD 3.5Å; E279-K286 VanDerWaalsContact CD-CE 3.48Å; E279-K286 HydrophobicContact CG-CD 4.06Å; E279-K286 HydrophobicContact CG-CG 3.7Å; E279-K286 VanDerWaalsContact OE1-CE 3.24Å; E279-K286 WeakPolarHBondContact OE1-CE 3.25Å; E279-K286 IonicContact OE1-NZ 2.93Å; E279-K286 PolarHBondContact OE1-NZ 3.06Å; E279-K286 VanDerWaalsContact OE2-CD 3.24Å; E279-K286 WeakPolarHBondContact OE2-CD 3.49Å; E279-K286 WeakPolarHBondContact OE2-CE 3.14Å; E279-K286 IonicContact OE2-NZ 3.81Å; E279-K286 PolarHBondContact OE2-NZ 3.2Å; E279-N287 WeakPolarHBondContact CA-O 3.38Å
280	Y	98.4	Very high	97.5	Very high	14 Å²	14	70.4 Å²	70.4	6%	0.055	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	152.7	178.8	68.6	-85.5	0	0	0	112.5	L73 L259 A262 E263 R282 N287 V289	L73-Y280 HydrophobicContact CD1-CD1 4.19Å; L73-Y280 HydrophobicContact CD1-CG 4.27Å; L259-Y280 HydrophobicContact CD2-CE2 3.71Å; A262-Y280 HydrophobicContact CB-CD2 3.86Å; A262-Y280 HydrophobicContact CB-CE2 4.27Å; E263-Y280 CarbonylContact O-C 3.57Å; E263-Y280 WeakPolarHBondContact O-CA 3.33Å; E263-Y280 WeakPolarHBondContact O-CB 3.42Å; Y280-R282 HydrophobicContact CD2-CB 4.13Å; Y280-R282 HydrophobicContact CE2-CB 4.01Å; Y280-N287 HydrophobicContact CD1-CB 4.1Å; Y280-N287 HydrophobicContact CD2-CB 4.14Å; Y280-N287 HydrophobicContact CE1-CB 3.58Å; Y280-N287 HydrophobicContact CE2-CB 3.62Å; Y280-N287 HydrophobicContact CG-CB 4.36Å; Y280-N287 PolarHBondContact N-O 3.36Å; Y280-N287 PolarHBondContact O-N 3.07Å; Y280-V289 HydrophobicContact CD1-CG1 4.22Å; Y280-V289 HydrophobicContact CE1-CB 4.18Å; Y280-V289 HydrophobicContact CE1-CG1 4.05Å
281	M	97.6	Very high	97.5	Very high	47 Å²	47	68.3 Å²	68.3	23%	0.232	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	128.4	176.4	-166.5	61.8	59.4	0	0	109.7	A262 E263 T265 G284 R285 K286	A262-M281 WeakPolarHBondContact CA-O 3.48Å; E263-M281 PolarHBondContact N-O 2.84Å; E263-M281 PolarHBondContact O-N 2.92Å; T265-M281 HydrophobicContact CG2-CB 4.26Å; M281-G284 VanDerWaalsContact SD-C 3.54Å; M281-R285 WeakPolarHBondContact CA-O 3.4Å; M281-R285 VanDerWaalsContact SD-O 3.32Å; M281-K286 HydrophobicContact CE-CB 4.08Å
282	R	95.5	Very high	97.5	Very high	80 Å²	80	64.2 Å²	64.2	30%	0.302	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	130.3	174.7	-174.8	170.9	-173.4	-122.2	-0.4	110.1	E36 L259 L260 H261 Y280 G284 R285	E36-R282 IonicContact OE1-CZ 2.69Å; E36-R282 IonicContact OE1-NE 3.35Å; E36-R282 IonicContact OE1-NH2 3.7Å; E36-R282 PolarHBondContact OE1-NH2 3.43Å; E36-R282 IonicContact OE2-NH2 3.51Å; E36-R282 PolarHBondContact OE2-NH2 2.97Å; L259-R282 VanDerWaalsContact CD1-NH1 3.32Å; L260-R282 PolarHBondContact O-NE 2.82Å; L260-R282 VanDerWaalsContact O-NE 3.14Å; H261-R282 WeakPolarHBondContact O-CA 3.37Å; H261-R282 WeakPolarHBondContact O-CG 3.44Å; Y280-R282 HydrophobicContact CD2-CB 4.13Å; Y280-R282 HydrophobicContact CE2-CB 4.01Å; R282-G284 PolarHBondContact O-N 3.48Å; R282-R285 PolarHBondContact N-O 2.83Å; R282-R285 PolarHBondContact O-N 3.27Å
283	G	92.4	Very high	97.5	Very high	77 Å²	77	59.7 Å²	59.7	79%	0.794	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.4	35.6	-177.3	0	0	0	0	0	113.4	R285	G283-R285 PolarHBondContact O-N 3.36Å
284	G	93	Very high	97.6	Very high	72 Å²	72	56 Å²	56	74%	0.742	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.8	4.9	-176	0	0	0	0	0	115.1	M281 R282	M281-G284 VanDerWaalsContact SD-C 3.54Å; R282-G284 PolarHBondContact O-N 3.48Å
285	R	95.2	Very high	97.6	Very high	190 Å²	190	52.3 Å²	52.3	72%	0.717	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.7	136.7	179.2	-62.6	-177.8	-176.5	-176.2	0.6	111	M281 R282 G283 N287	M281-R285 WeakPolarHBondContact CA-O 3.4Å; M281-R285 VanDerWaalsContact SD-O 3.32Å; R282-R285 PolarHBondContact N-O 2.83Å; R282-R285 PolarHBondContact O-N 3.27Å; G283-R285 PolarHBondContact O-N 3.36Å; R285-N287 PolarHBondContact O-ND2 2.96Å
286	K	97.2	Very high	97.6	Very high	126 Å²	126	52.3 Å²	52.3	55%	0.548	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	128.2	169.6	178.1	-177	-75.4	-138.2	0	109.2	E279 M281	E279-K286 VanDerWaalsContact CD-CD 3.5Å; E279-K286 VanDerWaalsContact CD-CE 3.48Å; E279-K286 HydrophobicContact CG-CD 4.06Å; E279-K286 HydrophobicContact CG-CG 3.7Å; E279-K286 VanDerWaalsContact OE1-CE 3.24Å; E279-K286 WeakPolarHBondContact OE1-CE 3.25Å; E279-K286 IonicContact OE1-NZ 2.93Å; E279-K286 PolarHBondContact OE1-NZ 3.06Å; E279-K286 VanDerWaalsContact OE2-CD 3.24Å; E279-K286 WeakPolarHBondContact OE2-CD 3.49Å; E279-K286 WeakPolarHBondContact OE2-CE 3.14Å; E279-K286 IonicContact OE2-NZ 3.81Å; E279-K286 PolarHBondContact OE2-NZ 3.2Å; M281-K286 HydrophobicContact CE-CB 4.08Å
287	N	97.6	Very high	97.6	Very high	58 Å²	58	49.4 Å²	49.4	31%	0.31	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	160.3	178.9	-64.1	-83.9	0	0	0	109.7	E279 Y280 R285	E279-N287 WeakPolarHBondContact CA-O 3.38Å; Y280-N287 HydrophobicContact CD1-CB 4.1Å; Y280-N287 HydrophobicContact CD2-CB 4.14Å; Y280-N287 HydrophobicContact CE1-CB 3.58Å; Y280-N287 HydrophobicContact CE2-CB 3.62Å; Y280-N287 HydrophobicContact CG-CB 4.36Å; Y280-N287 PolarHBondContact N-O 3.36Å; Y280-N287 PolarHBondContact O-N 3.07Å; R285-N287 PolarHBondContact O-ND2 2.96Å
288	V	98.3	Very high	97.6	Very high	67 Å²	67	49.7 Å²	49.7	41%	0.406	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	136.4	175.8	177	0	0	0	0	109.1	L268 V278 F290	L268-V288 HydrophobicContact CD1-CG1 3.59Å; L268-V288 HydrophobicContact CD1-CG2 4.23Å; V278-V288 WeakPolarHBondContact O-CA 3.26Å; V288-F290 HydrophobicContact CG1-CE1 4.37Å; V288-F290 HydrophobicContact CG1-CE2 4.42Å; V288-F290 HydrophobicContact CG1-CZ 4.22Å
289	V	98.6	Very high	97.6	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.006	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	132.9	168.7	61.1	0	0	0	0	109.2	Y44 V47 L71 L73 G277 V278 Y280	Y44-V289 HydrophobicContact CD2-CG2 3.55Å; Y44-V289 HydrophobicContact CE2-CG2 3.85Å; V47-V289 HydrophobicContact CG1-CG1 4.36Å; V47-V289 HydrophobicContact CG2-CG1 4.18Å; V47-V289 HydrophobicContact CG2-CG2 4.49Å; L71-V289 HydrophobicContact CD2-CB 4.28Å; L71-V289 HydrophobicContact CD2-CG1 3.98Å; L71-V289 HydrophobicContact CD2-CG2 3.84Å; L73-V289 HydrophobicContact CD1-CG1 4.47Å; G277-V289 CarbonylContact C-O 3.58Å; G277-V289 WeakPolarHBondContact CA-O 3.23Å; V278-V289 HydrophobicContact CB-CG1 4.15Å; V278-V289 PolarHBondContact N-O 3.01Å; V278-V289 PolarHBondContact O-N 3.17Å; Y280-V289 HydrophobicContact CD1-CG1 4.22Å; Y280-V289 HydrophobicContact CE1-CB 4.18Å; Y280-V289 HydrophobicContact CE1-CG1 4.05Å
290	F	98.8	Very high	97.6	Very high	94 Å²	94	50.4 Å²	50.4	41%	0.412	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	156.4	179.5	-65.3	-78.6	0	0	0	111.6	R42 Q43 Y44 I276 V288	R42-F290 PolarHBondContact O-N 3.34Å; Q43-F290 VanDerWaalsContact CA-O 3.28Å; Q43-F290 WeakPolarHBondContact CA-O 3.21Å; Q43-F290 HydrophobicContact CB-CB 4.1Å; Q43-F290 HydrophobicContact CG-CB 3.83Å; Y44-F290 PolarHBondContact N-O 2.88Å; I276-F290 WeakPolarHBondContact O-CA 3.26Å; I276-F290 WeakPolarHBondContact O-CD1 3.28Å; V288-F290 HydrophobicContact CG1-CE1 4.37Å; V288-F290 HydrophobicContact CG1-CE2 4.42Å; V288-F290 HydrophobicContact CG1-CZ 4.22Å
291	V	98.6	Very high	97.6	Very high	7 Å²	7	49.8 Å²	49.8	4%	0.042	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	136.6	-179.8	74	0	0	0	0	110.5	Y44 D45 V47 I276 E294 V295	Y44-V291 CarbonylContact O-C 3.54Å; Y44-V291 WeakPolarHBondContact O-CA 3.28Å; D45-V291 VanDerWaalsContact O-CG2 3.27Å; D45-V291 WeakPolarHBondContact O-CG2 3.3Å; V47-V291 HydrophobicContact CG2-CB 4.3Å; V47-V291 HydrophobicContact CG2-CG2 4.2Å; I276-V291 PolarHBondContact O-N 3.37Å; V291-E294 VanDerWaalsContact CG2-O 3.26Å; V291-E294 WeakPolarHBondContact CG2-O 3.41Å; V291-V295 HydrophobicContact CB-CG2 4.33Å; V291-V295 HydrophobicContact CG1-CG2 3.85Å; V291-V295 HydrophobicContact CG2-CG2 4.42Å
292	R	98.3	Very high	97.6	Very high	114 Å²	114	47.6 Å²	47.6	43%	0.43	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	-43.5	176	-62.8	-168.6	-70.2	-155.8	-1.6	111.6	Q43 Y44 D45 R274	Q43-R292 HydrophobicContact CG-CG 3.66Å; Y44-R292 PolarHBondContact O-N 3.22Å; D45-R292 IonicContact OD1-CZ 3.25Å; D45-R292 VanDerWaalsContact OD1-CZ 3.25Å; D45-R292 IonicContact OD1-NE 3.13Å; D45-R292 PolarHBondContact OD1-NE 2.55Å; D45-R292 IonicContact OD1-NH2 2.98Å; D45-R292 PolarHBondContact OD1-NH2 3.2Å; D45-R292 IonicContact OD2-CZ 3.12Å; D45-R292 IonicContact OD2-NE 3.55Å; D45-R292 IonicContact OD2-NH2 3.87Å; D45-R292 PolarHBondContact OD2-NH2 2.93Å; R274-R292 PolarHBondContact NH2-O 3.45Å
293	R	98.4	Very high	97.8	Very high	51 Å²	51	44.7 Å²	44.7	19%	0.192	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	-77.2	-170.4	-58.8	-176.5	-174.2	-131.9	-6.8	111	D45 F46 W68 R274 W604	D45-R293 HydrophobicContact CB-CG 4.19Å; D45-R293 WeakPolarHBondContact O-CA 3.47Å; D45-R293 WeakPolarHBondContact O-CB 3.45Å; D45-R293 PolarHBondContact O-N 2.61Å; D45-R293 IonicContact OD1-NE 3.77Å; D45-R293 PolarHBondContact OD1-NE 2.78Å; F46-R293 HydrophobicContact CD1-CB 4.27Å; F46-R293 HydrophobicContact CE1-CB 3.81Å; F46-R293 HydrophobicContact CE2-CB 4.42Å; F46-R293 HydrophobicContact CZ-CB 3.9Å; F46-R293 VanDerWaalsContact CZ-CD 3.46Å; F46-R293 HydrophobicContact CZ-CG 4.33Å; W68-R293 VanDerWaalsContact CE2-NH1 3.3Å; W68-R293 VanDerWaalsContact CZ2-NH1 3.26Å; R274-R293 PolarHBondContact NH2-O 3.17Å; R274-R293 VanDerWaalsContact NH2-O 3.13Å; R293-W604 HydrophobicContact CB-CD2 4.24Å; R293-W604 HydrophobicContact CB-CH2 3.77Å; R293-W604 HydrophobicContact CB-CZ2 3.41Å; R293-W604 VanDerWaalsContact CB-CZ2 3.41Å; R293-W604 HydrophobicContact CB-CZ3 4.32Å; R293-W604 HydrophobicContact CG-CD2 4.14Å; R293-W604 HydrophobicContact CG-CE3 4.04Å; R293-W604 HydrophobicContact CG-CH2 3.76Å; R293-W604 HydrophobicContact CG-CZ2 3.89Å; R293-W604 HydrophobicContact CG-CZ3 3.84Å
294	E	98.8	Very high	98.1	Very high	14 Å²	14	41 Å²	41	7%	0.065	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	144.7	-172.2	-58.1	-177.8	-170.7	0	0	113.2	D45 F46 V47 V291 I296 G568 R570 W604	D45-E294 PolarHBondContact O-N 3.27Å; F46-E294 WeakPolarHBondContact CA-O 3.39Å; F46-E294 HydrophobicContact CD1-CB 4.02Å; F46-E294 HydrophobicContact CE1-CB 4.05Å; F46-E294 HydrophobicContact CE1-CG 4.29Å; V47-E294 PolarHBondContact N-O 3.26Å; V291-E294 VanDerWaalsContact CG2-O 3.26Å; V291-E294 WeakPolarHBondContact CG2-O 3.41Å; E294-I296 HydrophobicContact CB-CD1 4.05Å; E294-G568 CarbonylContact C-O 3.47Å; E294-G568 VanDerWaalsContact CA-O 3.29Å; E294-G568 WeakPolarHBondContact CA-O 3.49Å; E294-R570 IonicContact OE1-CZ 2.76Å; E294-R570 IonicContact OE1-NE 3.67Å; E294-R570 PolarHBondContact OE1-NE 3Å; E294-R570 IonicContact OE1-NH2 3.31Å; E294-R570 PolarHBondContact OE1-NH2 3.43Å; E294-R570 WeakPolarHBondContact OE2-CD 3.19Å; E294-R570 WeakPolarHBondContact OE2-CG 3.21Å; E294-R570 IonicContact OE2-CZ 3.17Å; E294-R570 IonicContact OE2-NE 3.45Å; E294-R570 PolarHBondContact OE2-NE 3.34Å; E294-R570 IonicContact OE2-NH2 2.93Å; E294-W604 HydrophobicContact CG-CZ2 4.05Å; E294-W604 PolarHBondContact OE1-NE1 2.81Å
295	V	98.9	Very high	98.4	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	129.2	162.7	-178	0	0	0	0	108.6	V47 I49 I267 A275 V278 V291 G568 V569 R570	V47-V295 WeakPolarHBondContact O-CA 3.34Å; I49-V295 HydrophobicContact CD1-CG1 3.53Å; I49-V295 HydrophobicContact CG1-CG1 4.19Å; I267-V295 HydrophobicContact CD1-CG1 4Å; I267-V295 HydrophobicContact CG1-CG1 4.21Å; I267-V295 HydrophobicContact CG2-CG2 4.31Å; A275-V295 HydrophobicContact CB-CG2 4.13Å; V278-V295 HydrophobicContact CG2-CB 4.39Å; V278-V295 HydrophobicContact CG2-CG1 3.75Å; V278-V295 HydrophobicContact CG2-CG2 3.67Å; V291-V295 HydrophobicContact CB-CG2 4.33Å; V291-V295 HydrophobicContact CG1-CG2 3.85Å; V291-V295 HydrophobicContact CG2-CG2 4.42Å; V295-G568 PolarHBondContact N-O 2.93Å; V295-V569 WeakPolarHBondContact O-CA 3.05Å; V295-R570 PolarHBondContact O-N 2.89Å
296	I	99	Very high	98.5	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	106	175	-46.5	-53.5	0	0	0	107.9	F46 V47 V48 I49 V58 L62 E294 S298 R570 V572 I600	F46-I296 HydrophobicContact CD1-CD1 4.49Å; V47-I296 PolarHBondContact O-N 3.5Å; V48-I296 HydrophobicContact CB-CB 4.48Å; V48-I296 HydrophobicContact CG1-CB 4.39Å; V48-I296 HydrophobicContact CG2-CB 4.18Å; V48-I296 HydrophobicContact CG2-CG1 4.23Å; I49-I296 PolarHBondContact N-O 2.96Å; V58-I296 HydrophobicContact CG1-CG1 4.26Å; V58-I296 HydrophobicContact CG1-CG2 4.06Å; L62-I296 HydrophobicContact CD1-CG1 4.5Å; E294-I296 HydrophobicContact CB-CD1 4.05Å; I296-S298 PolarHBondContact O-N 3.15Å; I296-R570 HydrophobicContact CD1-CB 4.11Å; I296-R570 HydrophobicContact CD1-CG 4.45Å; I296-V572 HydrophobicContact CG2-CB 4Å; I296-V572 HydrophobicContact CG2-CG2 3.61Å; I296-I600 HydrophobicContact CD1-CD1 3.65Å; I296-I600 HydrophobicContact CG1-CD1 4.35Å
297	A	98.9	Very high	98.6	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	107	175.4	0	0	0	0	0	110.1	T304 R570 V571 V572	A297-T304 HydrophobicContact CB-CG2 4.22Å; A297-R570 PolarHBondContact N-O 3.43Å; A297-V571 HydrophobicContact CB-CG2 4.41Å; A297-V571 WeakPolarHBondContact O-CA 3.28Å; A297-V572 PolarHBondContact O-N 3.42Å
298	S	98.9	Very high	98.7	Very high	5 Å²	5	20.7 Å²	20.7	4%	0.035	10%	0.103	C	C	.	.			trans	-130	31.7	-178.8	-65.5	0	0	0	0	111.2	I49 I296 G300 V572 D573	I49-S298 CarbonylContact O-C 3.44Å; I49-S298 WeakPolarHBondContact O-CA 3.25Å; I49-S298 WeakPolarHBondContact O-CB 3.42Å; I49-S298 PolarHBondContact O-N 3.05Å; I296-S298 PolarHBondContact O-N 3.15Å; S298-G300 PolarHBondContact O-N 3.17Å; S298-V572 VanDerWaalsContact CB-O 3.25Å; S298-V572 WeakPolarHBondContact CB-O 3.35Å; S298-V572 PolarHBondContact OG-O 2.83Å; S298-D573 WeakPolarHBondContact CA-OD2 3.27Å
299	A	98.7	Very high	98.7	Very high	30 Å²	30	17.5 Å²	17.5	25%	0.248	8%	0.083	C	C	.	.	S	Bend	trans	-74.5	-3.3	-176	0	0	0	0	0	112.7	I49 N303 T304 D573	I49-A299 HydrophobicContact CG2-CB 4.33Å; I49-A299 PolarHBondContact O-N 2.97Å; I49-A299 VanDerWaalsContact O-N 3.12Å; A299-N303 HydrophobicContact CB-CB 3.67Å; A299-N303 WeakPolarHBondContact O-CB 3.16Å; A299-T304 PolarHBondContact N-OG1 2.9Å; A299-T304 VanDerWaalsContact N-OG1 3.07Å; A299-D573 PolarHBondContact N-OD2 2.83Å
300	G	98.5	Very high	98.7	Very high	12 Å²	12	17.8 Å²	17.8	12%	0.124	9%	0.085	C	C	.	.			trans	93.4	167	179	0	0	0	0	0	112.6	S298 L302 N303 T304 D573	S298-G300 PolarHBondContact O-N 3.17Å; G300-L302 PolarHBondContact O-N 3.45Å; G300-N303 PolarHBondContact O-N 3.02Å; G300-N303 VanDerWaalsContact O-N 3.13Å; G300-T304 PolarHBondContact N-OG1 2.92Å; G300-T304 WeakPolarHBondContact O-CB 3.43Å; G300-T304 PolarHBondContact O-N 3.42Å; G300-T304 PolarHBondContact O-OG1 3.2Å; G300-D573 WeakPolarHBondContact CA-OD2 3.34Å; G300-D573 PolarHBondContact N-OD2 2.7Å
301	A	98.4	Very high	98.7	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-13.5	-169.2	0	0	0	0	0	116.5	P305 P541 T544 A574	A301-P305 WeakPolarHBondContact O-CG 3.5Å; A301-P541 HydrophobicContact CB-CB 4.01Å; A301-P541 HydrophobicContact CB-CG 4.26Å; A301-P541 WeakPolarHBondContact CB-O 3.35Å; A301-T544 WeakPolarHBondContact O-CB 3.11Å; A301-T544 WeakPolarHBondContact O-CG2 3.36Å; A301-T544 PolarHBondContact O-OG1 3.12Å; A301-A574 HydrophobicContact CB-CB 4.31Å
302	L	98.6	Very high	98.7	Very high	2 Å²	2	13.1 Å²	13.1	1%	0.01	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.6	-35	178.6	-49	179.6	0	0	0	112.7	Y101 W122 R124 G300 P305 M336 V458 I471 P541	Y101-L302 HydrophobicContact CD2-CD1 3.79Å; Y101-L302 HydrophobicContact CE2-CB 4.46Å; Y101-L302 HydrophobicContact CE2-CD1 4.22Å; Y101-L302 HydrophobicContact CG-CD1 4.46Å; W122-L302 HydrophobicContact CE3-CD1 3.8Å; W122-L302 HydrophobicContact CE3-CD2 4.19Å; W122-L302 HydrophobicContact CZ3-CD1 4.24Å; W122-L302 HydrophobicContact CZ3-CD2 3.77Å; R124-L302 HydrophobicContact CG-CD1 3.88Å; G300-L302 PolarHBondContact O-N 3.45Å; L302-P305 WeakPolarHBondContact O-CG 3.35Å; L302-M336 HydrophobicContact CD2-SD 3.98Å; L302-V458 HydrophobicContact CD2-CG2 3.84Å; L302-I471 HydrophobicContact CD1-CD1 3.84Å; L302-I471 HydrophobicContact CD1-CG1 4.48Å; L302-P541 HydrophobicContact CD1-CG 4.42Å; L302-P541 HydrophobicContact CD2-CB 3.84Å; L302-P541 HydrophobicContact CD2-CG 4.24Å; L302-P541 HydrophobicContact CG-CB 4.39Å; L302-P541 HydrophobicContact CG-CG 4.26Å
303	N	98.6	Very high	98.8	Very high	18 Å²	18	7.7 Å²	7.7	10%	0.096	4%	0.044	C	C	.	.	H	α-helix	trans	-91.3	-28.7	-175.8	-75.6	-26.9	0	0	0	113.1	W99 Y101 A299 G300 K306 L307	W99-N303 PolarHBondContact NE1-ND2 3.13Å; Y101-N303 VanDerWaalsContact OH-CG 3.27Å; Y101-N303 PolarHBondContact OH-ND2 2.76Å; Y101-N303 PolarHBondContact OH-OD1 3.21Å; A299-N303 HydrophobicContact CB-CB 3.67Å; A299-N303 WeakPolarHBondContact O-CB 3.16Å; G300-N303 PolarHBondContact O-N 3.02Å; G300-N303 VanDerWaalsContact O-N 3.13Å; N303-K306 PolarHBondContact O-N 3.47Å; N303-L307 VanDerWaalsContact O-CB 3.32Å; N303-L307 WeakPolarHBondContact O-CB 3.29Å; N303-L307 PolarHBondContact O-N 3.06Å
304	T	98.9	Very high	98.8	Very high	0 Å²	0	5.2 Å²	5.2	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-59.1	-53.5	171.9	-69.3	0	0	0	0	111.8	A297 A299 G300 K306 L307 L308 V571 D573	A297-T304 HydrophobicContact CB-CG2 4.22Å; A299-T304 PolarHBondContact N-OG1 2.9Å; A299-T304 VanDerWaalsContact N-OG1 3.07Å; G300-T304 PolarHBondContact N-OG1 2.92Å; G300-T304 WeakPolarHBondContact O-CB 3.43Å; G300-T304 PolarHBondContact O-N 3.42Å; G300-T304 PolarHBondContact O-OG1 3.2Å; T304-K306 VanDerWaalsContact C-N 3.29Å; T304-K306 PolarHBondContact O-N 2.67Å; T304-L307 PolarHBondContact O-N 3.49Å; T304-L308 HydrophobicContact CG2-CD1 4.38Å; T304-L308 WeakPolarHBondContact O-CG 3.47Å; T304-L308 PolarHBondContact O-N 3.35Å; T304-V571 HydrophobicContact CG2-CB 4.36Å; T304-V571 HydrophobicContact CG2-CG1 3.41Å; T304-V571 VanDerWaalsContact CG2-CG1 3.41Å; T304-V571 HydrophobicContact CG2-CG2 4.01Å; T304-D573 WeakPolarHBondContact CB-OD2 3.32Å; T304-D573 PolarHBondContact OG1-OD2 2.88Å
305	P	98.8	Very high	98.8	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-63.1	-35.9	177.5	25.9	-37	0	0	0	112.2	A301 L302 L308 M309 V332 V458	A301-P305 WeakPolarHBondContact O-CG 3.5Å; L302-P305 WeakPolarHBondContact O-CG 3.35Å; P305-L308 PolarHBondContact O-N 2.96Å; P305-M309 HydrophobicContact CB-CE 4.37Å; P305-M309 WeakPolarHBondContact O-CB 3.22Å; P305-M309 WeakPolarHBondContact O-CE 3.23Å; P305-M309 VanDerWaalsContact O-CG 3.32Å; P305-M309 WeakPolarHBondContact O-CG 3.43Å; P305-M309 PolarHBondContact O-N 3.34Å; P305-V332 VanDerWaalsContact CA-CG1 3.44Å; P305-V332 HydrophobicContact CB-CG1 3.51Å; P305-V332 WeakPolarHBondContact O-CG1 3.39Å; P305-V458 HydrophobicContact CG-CB 4.3Å; P305-V458 HydrophobicContact CG-CG1 4.23Å
306	K	98.7	Very high	98.8	Very high	11 Å²	11	6.5 Å²	6.5	5%	0.048	5%	0.046	C	C	.	.	H	α-helix	trans	-59.5	-48.2	173.7	-179.6	-168.4	173.2	-168.9	0	111.7	N303 T304 M309 L310 L460 P465 H467 P469	N303-K306 PolarHBondContact O-N 3.47Å; T304-K306 VanDerWaalsContact C-N 3.29Å; T304-K306 PolarHBondContact O-N 2.67Å; K306-M309 PolarHBondContact O-N 2.59Å; K306-L310 HydrophobicContact CG-CD1 3.99Å; K306-L310 WeakPolarHBondContact O-CB 3.31Å; K306-L310 VanDerWaalsContact O-CG 3.3Å; K306-L310 WeakPolarHBondContact O-CG 3.46Å; K306-L310 PolarHBondContact O-N 3.19Å; K306-L460 HydrophobicContact CB-CD2 4.3Å; K306-L460 HydrophobicContact CG-CD2 3.7Å; K306-P465 VanDerWaalsContact CE-O 3.24Å; K306-P465 WeakPolarHBondContact CE-O 3.14Å; K306-P465 PolarHBondContact NZ-O 3.47Å; K306-H467 WeakPolarHBondContact CE-O 3.44Å; K306-H467 PolarHBondContact NZ-O 2.99Å; K306-P469 HydrophobicContact CD-CG 4.44Å
307	L	98.9	Very high	98.7	Very high	7 Å²	7	13.7 Å²	13.7	4%	0.037	8%	0.079	C	C	.	.	H	α-helix	trans	-61.5	-47.2	178.4	174	65.2	0	0	0	111.2	I49 A264 I267 N303 T304 L310 S311	I49-L307 HydrophobicContact CD1-CD2 3.62Å; I49-L307 HydrophobicContact CG2-CD2 4Å; A264-L307 HydrophobicContact CB-CD1 4.36Å; I267-L307 HydrophobicContact CD1-CD2 4.31Å; I267-L307 HydrophobicContact CD1-CG 4.49Å; I267-L307 HydrophobicContact CG1-CD1 4.49Å; I267-L307 HydrophobicContact CG1-CD2 4.33Å; I267-L307 HydrophobicContact CG1-CG 4.34Å; N303-L307 VanDerWaalsContact O-CB 3.32Å; N303-L307 WeakPolarHBondContact O-CB 3.29Å; N303-L307 PolarHBondContact O-N 3.06Å; T304-L307 PolarHBondContact O-N 3.49Å; L307-L310 PolarHBondContact O-N 2.91Å; L307-S311 WeakPolarHBondContact O-CB 3.22Å; L307-S311 PolarHBondContact O-N 2.96Å; L307-S311 PolarHBondContact O-OG 3.25Å
308	L	98.9	Very high	98.7	Very high	1 Å²	1	14.6 Å²	14.6	1%	0.005	8%	0.083	C	C	.	.	H	α-helix	trans	-59.5	-47.9	177.4	-70.1	-179.8	0	0	0	111.1	I267 T304 P305 L310 S311 G312 V313 V332 V556 V569 V571	I267-L308 HydrophobicContact CD1-CD2 4.17Å; T304-L308 HydrophobicContact CG2-CD1 4.38Å; T304-L308 WeakPolarHBondContact O-CG 3.47Å; T304-L308 PolarHBondContact O-N 3.35Å; P305-L308 PolarHBondContact O-N 2.96Å; L308-L310 PolarHBondContact O-N 3.06Å; L308-S311 CarbonylContact O-C 3.45Å; L308-S311 WeakPolarHBondContact O-CA 3.15Å; L308-S311 WeakPolarHBondContact O-CB 3.22Å; L308-S311 PolarHBondContact O-N 2.87Å; L308-G312 PolarHBondContact O-N 3.45Å; L308-V313 CarbonylContact C-O 2.96Å; L308-V313 HydrophobicContact CB-CB 4.31Å; L308-V313 PolarHBondContact O-N 2.97Å; L308-V313 VanDerWaalsContact O-O 3.1Å; L308-V332 HydrophobicContact CB-CG1 4Å; L308-V332 HydrophobicContact CB-CG2 4.5Å; L308-V332 HydrophobicContact CD1-CG1 4.26Å; L308-V332 HydrophobicContact CD1-CG2 4.26Å; L308-V556 HydrophobicContact CD1-CG1 4.43Å; L308-V569 HydrophobicContact CD2-CG1 4.39Å; L308-V571 HydrophobicContact CD1-CG2 3.93Å
309	M	98.9	Very high	98.7	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-60.5	-46	177.9	-74.5	-174.9	-76.1	0	0	111.9	P305 K306 S311 G312 V313 L319 V332 L460	P305-M309 HydrophobicContact CB-CE 4.37Å; P305-M309 WeakPolarHBondContact O-CB 3.22Å; P305-M309 WeakPolarHBondContact O-CE 3.23Å; P305-M309 VanDerWaalsContact O-CG 3.32Å; P305-M309 WeakPolarHBondContact O-CG 3.43Å; P305-M309 PolarHBondContact O-N 3.34Å; K306-M309 PolarHBondContact O-N 2.59Å; M309-S311 PolarHBondContact O-N 3.33Å; M309-G312 PolarHBondContact O-N 2.99Å; M309-V313 WeakPolarHBondContact CA-O 3.06Å; M309-V313 PolarHBondContact N-O 3.28Å; M309-V313 VanDerWaalsContact N-O 3.14Å; M309-L319 HydrophobicContact CB-CD2 3.87Å; M309-L319 HydrophobicContact CG-CD2 4.24Å; M309-L319 WeakPolarHBondContact O-CD2 3.4Å; M309-V332 HydrophobicContact CG-CB 4.42Å; M309-V332 HydrophobicContact CG-CG1 4.02Å; M309-L460 HydrophobicContact CB-CD1 3.8Å; M309-L460 HydrophobicContact CB-CD2 4.03Å; M309-L460 HydrophobicContact CB-CG 3.87Å; M309-L460 HydrophobicContact CE-CD2 4.08Å; M309-L460 HydrophobicContact CE-CG 4.13Å; M309-L460 HydrophobicContact SD-CG 4.1Å
310	L	98.8	Very high	98.7	Very high	7 Å²	7	18.7 Å²	18.7	4%	0.037	10%	0.097	C	C	.	.	H	α-helix	trans	-62	-25.3	175.6	-71.8	169.4	0	0	0	112.9	R266 K306 L307 L308 G312 I324 L460 P465	R266-L310 VanDerWaalsContact CZ-O 3.3Å; R266-L310 PolarHBondContact NE-O 3.33Å; R266-L310 PolarHBondContact NH2-O 2.74Å; K306-L310 HydrophobicContact CG-CD1 3.99Å; K306-L310 WeakPolarHBondContact O-CB 3.31Å; K306-L310 VanDerWaalsContact O-CG 3.3Å; K306-L310 WeakPolarHBondContact O-CG 3.46Å; K306-L310 PolarHBondContact O-N 3.19Å; L307-L310 PolarHBondContact O-N 2.91Å; L308-L310 PolarHBondContact O-N 3.06Å; L310-G312 VanDerWaalsContact C-N 3.31Å; L310-I324 HydrophobicContact CD2-CD1 4.28Å; L310-L460 HydrophobicContact CD2-CD1 3.93Å; L310-L460 HydrophobicContact CD2-CD2 4.19Å; L310-L460 HydrophobicContact CG-CD1 4.23Å; L310-L460 HydrophobicContact CG-CD2 3.89Å; L310-P465 HydrophobicContact CD1-CB 3.92Å
311	S	98.8	Very high	98.7	Very high	3 Å²	3	24.8 Å²	24.8	2%	0.021	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-2.3	176.3	-49.3	0	0	0	0	113.3	I267 L307 L308 M309 I327	I267-S311 PolarHBondContact N-OG 3.12Å; L307-S311 WeakPolarHBondContact O-CB 3.22Å; L307-S311 PolarHBondContact O-N 2.96Å; L307-S311 PolarHBondContact O-OG 3.25Å; L308-S311 CarbonylContact O-C 3.45Å; L308-S311 WeakPolarHBondContact O-CA 3.15Å; L308-S311 WeakPolarHBondContact O-CB 3.22Å; L308-S311 PolarHBondContact O-N 2.87Å; M309-S311 PolarHBondContact O-N 3.33Å; S311-I327 WeakPolarHBondContact O-CD1 3.42Å
312	G	98.7	Very high	98.7	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.2	14.2	-178.8	0	0	0	0	0	114.6	L308 M309 L310 P325 I327 S328	L308-G312 PolarHBondContact O-N 3.45Å; M309-G312 PolarHBondContact O-N 2.99Å; L310-G312 VanDerWaalsContact C-N 3.31Å; G312-P325 VanDerWaalsContact CA-O 3.28Å; G312-P325 WeakPolarHBondContact CA-O 3.07Å; G312-I327 WeakPolarHBondContact O-CA 3.37Å; G312-I327 WeakPolarHBondContact O-CB 3.49Å; G312-I327 PolarHBondContact O-N 3.14Å; G312-S328 PolarHBondContact O-N 2.84Å
313	V	98.9	Very high	98.7	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	107.4	177.8	-179.8	0	0	0	0	109.3	F269 L308 M309 I327 S328 L330 V332 V563 V566	F269-V313 HydrophobicContact CE2-CG2 4Å; F269-V313 HydrophobicContact CZ-CG2 4.01Å; L308-V313 CarbonylContact C-O 2.96Å; L308-V313 HydrophobicContact CB-CB 4.31Å; L308-V313 PolarHBondContact O-N 2.97Å; L308-V313 VanDerWaalsContact O-O 3.1Å; M309-V313 WeakPolarHBondContact CA-O 3.06Å; M309-V313 PolarHBondContact N-O 3.28Å; M309-V313 VanDerWaalsContact N-O 3.14Å; V313-I327 HydrophobicContact CG2-CB 4.47Å; V313-S328 WeakPolarHBondContact CA-O 3.41Å; V313-L330 HydrophobicContact CG1-CD1 3.86Å; V313-V332 HydrophobicContact CG1-CG2 4.35Å; V313-V563 HydrophobicContact CG1-CG1 3.97Å; V313-V566 HydrophobicContact CG2-CG1 3.83Å
314	G	98.8	Very high	98.7	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	159.9	-172.3	-174.9	0	0	0	0	0	112.3	A316 S328 D329 L330	G314-A316 PolarHBondContact O-N 3.14Å; G314-S328 PolarHBondContact N-O 3.03Å; G314-S328 VanDerWaalsContact N-O 3.07Å; G314-D329 WeakPolarHBondContact O-CA 3.43Å; G314-L330 CarbonylContact C-O 3.53Å; G314-L330 VanDerWaalsContact CA-O 3.25Å; G314-L330 WeakPolarHBondContact CA-O 3.25Å; G314-L330 PolarHBondContact O-N 2.87Å
315	P	98.8	Very high	98.7	Very high	23 Å²	23	35.9 Å²	35.9	15%	0.149	19%	0.185	C	C	.	.			trans	-62	120.5	-171.8	-23.8	33.5	0	0	0	110.9	E317 H318 L319 L330 V332	P315-E317 VanDerWaalsContact C-N 3.32Å; P315-E317 PolarHBondContact O-N 3.22Å; P315-H318 HydrophobicContact CB-CB 4.15Å; P315-H318 PolarHBondContact O-N 3.26Å; P315-H318 VanDerWaalsContact O-N 3.11Å; P315-L319 WeakPolarHBondContact O-CG 3.49Å; P315-L319 PolarHBondContact O-N 2.94Å; P315-L330 WeakPolarHBondContact CA-O 3.24Å; P315-L330 WeakPolarHBondContact CD-O 3.43Å; P315-V332 WeakPolarHBondContact CD-O 3.26Å
316	A	98.7	Very high	98.7	Very high	18 Å²	18	38.6 Å²	38.6	15%	0.149	20%	0.201	C	C	.	.	H	α-helix	trans	-54.9	-45.2	-169.6	0	0	0	0	0	113.1	G314 L319 Q320 V326 D329	G314-A316 PolarHBondContact O-N 3.14Å; A316-L319 PolarHBondContact O-N 2.99Å; A316-Q320 WeakPolarHBondContact O-CB 3.36Å; A316-Q320 WeakPolarHBondContact O-CG 3.26Å; A316-Q320 PolarHBondContact O-N 2.8Å; A316-V326 HydrophobicContact CB-CG1 4.14Å; A316-V326 HydrophobicContact CB-CG2 4.17Å; A316-D329 HydrophobicContact CB-CB 4.01Å; A316-D329 PolarHBondContact N-OD1 3.5Å
317	E	98.5	Very high	98.7	Very high	151 Å²	151	40 Å²	40	71%	0.706	21%	0.209	S	C	*	.	H	α-helix	trans	-58.7	-49.9	177.8	-63.8	179.8	171.6	0	0	111.5	P315 L319 Q320 E321	P315-E317 VanDerWaalsContact C-N 3.32Å; P315-E317 PolarHBondContact O-N 3.22Å; E317-L319 VanDerWaalsContact C-N 3.3Å; E317-L319 PolarHBondContact O-N 3.13Å; E317-Q320 WeakPolarHBondContact O-CB 3.21Å; E317-Q320 PolarHBondContact O-N 3.49Å; E317-Q320 VanDerWaalsContact O-N 3.15Å; E317-E321 WeakPolarHBondContact O-CG 3.48Å; E317-E321 PolarHBondContact O-N 3.02Å
318	H	98.6	Very high	98.6	Very high	19 Å²	19	40.2 Å²	40.2	9%	0.088	21%	0.211	C	C	.	.	H	α-helix	trans	-62.3	-36	178.6	-175.5	72.6	0	0	0	112.5	P315 E321 H322 L460	P315-H318 HydrophobicContact CB-CB 4.15Å; P315-H318 PolarHBondContact O-N 3.26Å; P315-H318 VanDerWaalsContact O-N 3.11Å; H318-E321 IonicContact ND1-OE2 3.5Å; H318-H322 AromaticContact CE1-CD2 3.52Å; H318-H322 AromaticContact CE1-NE2 3.26Å; H318-H322 PolarHBondContact CE1-NE2 2.97Å; H318-H322 VanDerWaalsContact CE1-NE2 3.26Å; H318-H322 AromaticContact NE2-CD2 3.34Å; H318-H322 PolarHBondContact NE2-CD2 3.08Å; H318-H322 VanDerWaalsContact NE2-CD2 3.34Å; H318-H322 AromaticContact NE2-NE2 3.42Å; H318-H322 PolarHBondContact NE2-NE2 3.18Å; H318-H322 PolarHBondContact O-CD2 3.2Å; H318-H322 VanDerWaalsContact O-CD2 3.31Å; H318-L460 WeakPolarHBondContact NE2-CB 3.4Å; H318-L460 PolarHBondContact NE2-N 3.26Å; H318-L460 VanDerWaalsContact NE2-N 3.19Å
319	L	98.8	Very high	98.6	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-68.7	-41.3	175.5	-65.4	-175.1	0	0	0	111.8	M309 P315 A316 E317 H322 N323 I324 V326	M309-L319 HydrophobicContact CB-CD2 3.87Å; M309-L319 HydrophobicContact CG-CD2 4.24Å; M309-L319 WeakPolarHBondContact O-CD2 3.4Å; P315-L319 WeakPolarHBondContact O-CG 3.49Å; P315-L319 PolarHBondContact O-N 2.94Å; A316-L319 PolarHBondContact O-N 2.99Å; E317-L319 VanDerWaalsContact C-N 3.3Å; E317-L319 PolarHBondContact O-N 3.13Å; L319-H322 CarbonylContact O-C 3.11Å; L319-H322 PolarHBondContact O-N 3.33Å; L319-N323 PolarHBondContact O-N 3.14Å; L319-I324 HydrophobicContact CB-CB 4.33Å; L319-I324 HydrophobicContact CD2-CB 4.45Å; L319-I324 HydrophobicContact CD2-CD1 4.42Å; L319-I324 HydrophobicContact CD2-CG2 4.35Å; L319-I324 PolarHBondContact O-N 3.27Å; L319-V326 HydrophobicContact CB-CG2 3.96Å; L319-V326 HydrophobicContact CD1-CG1 4.39Å; L319-V326 HydrophobicContact CD1-CG2 4.18Å
320	Q	98.6	Very high	98.6	Very high	120 Å²	120	46.1 Å²	46.1	56%	0.561	24%	0.243	S	C	*	.	H	α-helix	trans	-64.4	-40.9	177.2	-71.9	166.1	-9.3	0	0	111.8	A316 E317 H322 N323 V326	A316-Q320 WeakPolarHBondContact O-CB 3.36Å; A316-Q320 WeakPolarHBondContact O-CG 3.26Å; A316-Q320 PolarHBondContact O-N 2.8Å; E317-Q320 WeakPolarHBondContact O-CB 3.21Å; E317-Q320 PolarHBondContact O-N 3.49Å; E317-Q320 VanDerWaalsContact O-N 3.15Å; Q320-H322 PolarHBondContact O-N 2.75Å; Q320-H322 VanDerWaalsContact O-N 3.13Å; Q320-N323 PolarHBondContact O-N 2.9Å; Q320-V326 HydrophobicContact CG-CG2 4.15Å
321	E	98.3	Very high	98.6	Very high	140 Å²	140	47 Å²	47	65%	0.654	25%	0.248	S	C	*	.	H	α-helix	trans	-53.8	-32.5	173.2	-74.1	175	-166.5	0	0	112.8	E317 H318	E317-E321 WeakPolarHBondContact O-CG 3.48Å; E317-E321 PolarHBondContact O-N 3.02Å; H318-E321 IonicContact ND1-OE2 3.5Å
322	H	98.3	Very high	98.6	Very high	37 Å²	37	46.9 Å²	46.9	17%	0.171	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97	8.4	178	-71.1	-59.3	0	0	0	114.4	H318 L319 Q320 I324 L460	H318-H322 AromaticContact CE1-CD2 3.52Å; H318-H322 AromaticContact CE1-NE2 3.26Å; H318-H322 PolarHBondContact CE1-NE2 2.97Å; H318-H322 VanDerWaalsContact CE1-NE2 3.26Å; H318-H322 AromaticContact NE2-CD2 3.34Å; H318-H322 PolarHBondContact NE2-CD2 3.08Å; H318-H322 VanDerWaalsContact NE2-CD2 3.34Å; H318-H322 AromaticContact NE2-NE2 3.42Å; H318-H322 PolarHBondContact NE2-NE2 3.18Å; H318-H322 PolarHBondContact O-CD2 3.2Å; H318-H322 VanDerWaalsContact O-CD2 3.31Å; L319-H322 CarbonylContact O-C 3.11Å; L319-H322 PolarHBondContact O-N 3.33Å; Q320-H322 PolarHBondContact O-N 2.75Å; Q320-H322 VanDerWaalsContact O-N 3.13Å; H322-I324 HydrophobicContact CB-CD1 3.91Å; H322-I324 HydrophobicContact CB-CG1 4.06Å; H322-I324 PolarHBondContact O-N 3.39Å; H322-L460 PolarHBondContact NE2-O 2.92Å
323	N	98.2	Very high	98.6	Very high	127 Å²	127	46.9 Å²	46.9	68%	0.679	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.1	40	-175	-60.6	-69.9	0	0	0	112.7	L319 Q320 R463	L319-N323 PolarHBondContact O-N 3.14Å; Q320-N323 PolarHBondContact O-N 2.9Å; N323-R463 PolarHBondContact O-NH1 2.6Å
324	I	98.6	Very high	98.6	Very high	4 Å²	4	49.5 Å²	49.5	2%	0.021	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-99.6	123.3	175	-62.1	171	0	0	0	108	L310 L319 H322 V326 L460 R463	L310-I324 HydrophobicContact CD2-CD1 4.28Å; L319-I324 HydrophobicContact CB-CB 4.33Å; L319-I324 HydrophobicContact CD2-CB 4.45Å; L319-I324 HydrophobicContact CD2-CD1 4.42Å; L319-I324 HydrophobicContact CD2-CG2 4.35Å; L319-I324 PolarHBondContact O-N 3.27Å; H322-I324 HydrophobicContact CB-CD1 3.91Å; H322-I324 HydrophobicContact CB-CG1 4.06Å; H322-I324 PolarHBondContact O-N 3.39Å; I324-V326 PolarHBondContact O-N 2.93Å; I324-L460 HydrophobicContact CD1-CD1 3.46Å; I324-L460 VanDerWaalsContact CD1-CD1 3.46Å; I324-R463 HydrophobicContact CD1-CG 4.27Å; I324-R463 HydrophobicContact CG1-CG 4.01Å
325	P	98.2	Very high	98.6	Very high	86 Å²	86	50.8 Å²	50.8	56%	0.558	27%	0.269	S	S	*	.	P	Polyproline II helix	trans	-58.1	128.2	175.5	-25.2	34.6	0	0	0	111.5	G312 I327	G312-P325 VanDerWaalsContact CA-O 3.28Å; G312-P325 WeakPolarHBondContact CA-O 3.07Å; P325-I327 PolarHBondContact O-N 2.97Å
326	V	98.7	Very high	98.6	Very high	57 Å²	57	49.8 Å²	49.8	35%	0.345	26%	0.262	S	S	.	.	P	Polyproline II helix	trans	-78.4	117.1	178.7	-175.3	0	0	0	0	109.2	A316 L319 Q320 I324	A316-V326 HydrophobicContact CB-CG1 4.14Å; A316-V326 HydrophobicContact CB-CG2 4.17Å; L319-V326 HydrophobicContact CB-CG2 3.96Å; L319-V326 HydrophobicContact CD1-CG1 4.39Å; L319-V326 HydrophobicContact CD1-CG2 4.18Å; Q320-V326 HydrophobicContact CG-CG2 4.15Å; I324-V326 PolarHBondContact O-N 2.93Å
327	I	98.6	Very high	98.6	Very high	41 Å²	41	49.5 Å²	49.5	21%	0.21	26%	0.257	C	S	.	.	S	Bend	trans	-93.4	-45	172.4	-60.4	-174.5	0	0	0	109.6	F269 K273 S311 G312 V313 P325 V566	F269-I327 HydrophobicContact CB-CD1 3.88Å; F269-I327 HydrophobicContact CD2-CD1 3.42Å; F269-I327 VanDerWaalsContact CD2-CD1 3.42Å; F269-I327 HydrophobicContact CE2-CD1 4.24Å; F269-I327 HydrophobicContact CG-CD1 3.93Å; F269-I327 HydrophobicContact CG-CG2 4.46Å; K273-I327 HydrophobicContact CB-CG2 4.11Å; K273-I327 HydrophobicContact CD-CG2 4.01Å; K273-I327 WeakPolarHBondContact CD-O 3.18Å; K273-I327 WeakPolarHBondContact CE-O 3.46Å; K273-I327 HydrophobicContact CG-CG2 3.91Å; K273-I327 PolarHBondContact NZ-O 2.83Å; S311-I327 WeakPolarHBondContact O-CD1 3.42Å; G312-I327 WeakPolarHBondContact O-CA 3.37Å; G312-I327 WeakPolarHBondContact O-CB 3.49Å; G312-I327 PolarHBondContact O-N 3.14Å; V313-I327 HydrophobicContact CG2-CB 4.47Å; P325-I327 PolarHBondContact O-N 2.97Å; I327-V566 HydrophobicContact CG2-CG1 3.91Å
328	S	98.6	Very high	98.5	Very high	11 Å²	11	42.6 Å²	42.6	8%	0.077	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	128.4	177.2	-167.1	0	0	0	0	109.5	G312 V313 G314 Y564	G312-S328 PolarHBondContact O-N 2.84Å; V313-S328 WeakPolarHBondContact CA-O 3.41Å; G314-S328 PolarHBondContact N-O 3.03Å; G314-S328 VanDerWaalsContact N-O 3.07Å; S328-Y564 PolarHBondContact OG-O 3.46Å
329	D	98.7	Very high	98.5	Very high	106 Å²	106	41.7 Å²	41.7	57%	0.567	22%	0.221	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-84.8	112.2	174.7	-174.5	18.3	0	0	0	109.1	G314 A316	G314-D329 WeakPolarHBondContact O-CA 3.43Å; A316-D329 HydrophobicContact CB-CB 4.01Å; A316-D329 PolarHBondContact N-OD1 3.5Å
330	L	98.8	Very high	98.5	Very high	19 Å²	19	41.8 Å²	41.8	10%	0.099	22%	0.222	C	C	.	.			trans	-144.6	152.7	-177.2	-73.6	-176.9	0	0	0	110.2	V313 G314 P315 V332 V556 V563 Y564	V313-L330 HydrophobicContact CG1-CD1 3.86Å; G314-L330 CarbonylContact C-O 3.53Å; G314-L330 VanDerWaalsContact CA-O 3.25Å; G314-L330 WeakPolarHBondContact CA-O 3.25Å; G314-L330 PolarHBondContact O-N 2.87Å; P315-L330 WeakPolarHBondContact CA-O 3.24Å; P315-L330 WeakPolarHBondContact CD-O 3.43Å; L330-V332 HydrophobicContact CB-CG2 3.95Å; L330-V332 PolarHBondContact O-N 2.77Å; L330-V556 HydrophobicContact CD1-CG1 4.23Å; L330-V563 HydrophobicContact CD1-CG1 3.82Å; L330-Y564 WeakPolarHBondContact CD1-O 3.15Å
331	P	98.7	Very high	98.5	Very high	25 Å²	25	36.1 Å²	36.1	16%	0.162	20%	0.195	C	C	.	.			trans	-74.6	37	179.9	33.4	-37.7	0	0	0	113.6	G333 N334 T554 V556	P331-G333 PolarHBondContact O-N 2.68Å; P331-N334 HydrophobicContact CB-CB 4.36Å; P331-N334 VanDerWaalsContact O-CB 3.28Å; P331-N334 WeakPolarHBondContact O-CB 3.49Å; P331-N334 PolarHBondContact O-N 3.14Å; P331-N334 VanDerWaalsContact O-N 3.08Å; P331-T554 VanDerWaalsContact CG-O 3.31Å; P331-T554 WeakPolarHBondContact CG-O 3.41Å; P331-V556 HydrophobicContact CG-CG2 4.04Å
332	V	98.9	Very high	98.4	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	131.2	178.6	177.4	0	0	0	0	110.4	P305 L308 M309 V313 P315 L330 N334 V556	P305-V332 VanDerWaalsContact CA-CG1 3.44Å; P305-V332 HydrophobicContact CB-CG1 3.51Å; P305-V332 WeakPolarHBondContact O-CG1 3.39Å; L308-V332 HydrophobicContact CB-CG1 4Å; L308-V332 HydrophobicContact CB-CG2 4.5Å; L308-V332 HydrophobicContact CD1-CG1 4.26Å; L308-V332 HydrophobicContact CD1-CG2 4.26Å; M309-V332 HydrophobicContact CG-CB 4.42Å; M309-V332 HydrophobicContact CG-CG1 4.02Å; V313-V332 HydrophobicContact CG1-CG2 4.35Å; P315-V332 WeakPolarHBondContact CD-O 3.26Å; L330-V332 HydrophobicContact CB-CG2 3.95Å; L330-V332 PolarHBondContact O-N 2.77Å; V332-N334 VanDerWaalsContact C-N 3.33Å; V332-V556 HydrophobicContact CG2-CG1 3.75Å; V332-V556 HydrophobicContact CG2-CG2 4.05Å
333	G	98.8	Very high	98.3	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.1	-8.2	-178	0	0	0	0	0	114.3	P331 W457 V458 T544	P331-G333 PolarHBondContact O-N 2.68Å; G333-W457 CarbonylContact O-C 2.96Å; G333-W457 WeakPolarHBondContact O-CA 3.39Å; G333-W457 WeakPolarHBondContact O-CB 3.41Å; G333-V458 PolarHBondContact O-N 2.97Å; G333-T544 WeakPolarHBondContact CA-O 3.38Å; G333-T544 PolarHBondContact N-O 2.95Å
334	N	98.7	Very high	98.1	Very high	56 Å²	56	22.2 Å²	22.2	30%	0.299	13%	0.129	S	C	.	.			trans	-78.3	174.9	173.5	-65.8	-9.5	0	0	0	111.5	P331 V332 M336 R459 T544	P331-N334 HydrophobicContact CB-CB 4.36Å; P331-N334 VanDerWaalsContact O-CB 3.28Å; P331-N334 WeakPolarHBondContact O-CB 3.49Å; P331-N334 PolarHBondContact O-N 3.14Å; P331-N334 VanDerWaalsContact O-N 3.08Å; V332-N334 VanDerWaalsContact C-N 3.33Å; N334-M336 PolarHBondContact O-N 2.89Å; N334-R459 VanDerWaalsContact OD1-CZ 3.25Å; N334-R459 PolarHBondContact OD1-NH1 2.92Å; N334-R459 PolarHBondContact OD1-NH2 3.21Å; N334-T544 VanDerWaalsContact O-CA 3.25Å; N334-T544 WeakPolarHBondContact O-CA 3.16Å
335	N	98.4	Very high	98.1	Very high	27 Å²	27	22.3 Å²	22.3	14%	0.144	13%	0.129	C	C	.	.	S	Bend	trans	59.6	30.3	175.4	-173.1	60.4	0	0	0	113.3	Q337 G456 G543 P578	N335-Q337 PolarHBondContact ND2-NE2 2.57Å; N335-Q337 PolarHBondContact O-N 2.96Å; N335-Q337 VanDerWaalsContact O-N 3.13Å; N335-Q337 PolarHBondContact OD1-NE2 3Å; N335-G456 PolarHBondContact N-O 3.45Å; N335-G543 PolarHBondContact ND2-O 3.25Å; N335-G543 CarbonylContact O-C 3.5Å; N335-G543 WeakPolarHBondContact O-CA 3.46Å; N335-P578 PolarHBondContact ND2-O 2.96Å; N335-P578 VanDerWaalsContact ND2-O 3.1Å
336	M	98.4	Very high	98.1	Very high	2 Å²	2	18.3 Å²	18.3	1%	0.01	10%	0.103	C	C	.	.	B	Isolated β-bridge	trans	-68.7	113.5	176.4	-168.4	-178.1	71.5	0	0	109.2	W122 L302 N334 G456 V458 I471 I472 P473 A542 T544	W122-M336 HydrophobicContact CH2-CE 3.44Å; W122-M336 VanDerWaalsContact CH2-CE 3.44Å; W122-M336 HydrophobicContact CH2-CG 4.43Å; W122-M336 HydrophobicContact CH2-SD 3.7Å; W122-M336 HydrophobicContact CZ2-CE 4.33Å; W122-M336 HydrophobicContact CZ3-CE 3.92Å; W122-M336 HydrophobicContact CZ3-SD 3.63Å; L302-M336 HydrophobicContact CD2-SD 3.98Å; N334-M336 PolarHBondContact O-N 2.89Å; M336-G456 VanDerWaalsContact CB-C 3.45Å; M336-G456 WeakPolarHBondContact CB-O 3.34Å; M336-G456 PolarHBondContact N-O 3.38Å; M336-G456 PolarHBondContact O-N 2.82Å; M336-V458 HydrophobicContact CG-CG2 4.37Å; M336-V458 HydrophobicContact SD-CG2 3.5Å; M336-V458 WeakPolarHBondContact SD-CG2 3.29Å; M336-I471 HydrophobicContact CE-CG2 3.92Å; M336-I471 HydrophobicContact SD-CG2 4.01Å; M336-I472 VanDerWaalsContact CE-C 3.47Å; M336-I472 VanDerWaalsContact CE-O 3.25Å; M336-I472 WeakPolarHBondContact CE-O 3.14Å; M336-P473 HydrophobicContact CE-CB 4.21Å; M336-P473 HydrophobicContact CE-CG 4.36Å; M336-A542 WeakPolarHBondContact CA-O 3.41Å; M336-T544 HydrophobicContact CB-CG2 3.73Å; M336-T544 HydrophobicContact CG-CG2 3.7Å
337	Q	98.3	Very high	98.1	Very high	11 Å²	11	15.6 Å²	15.6	5%	0.051	9%	0.087	C	C	.	.	B	Isolated β-bridge	trans	-109.6	154	177	-72.3	167.5	60.7	0	0	109.6	N335 T455 P541 A542 P578 I580	N335-Q337 PolarHBondContact ND2-NE2 2.57Å; N335-Q337 PolarHBondContact O-N 2.96Å; N335-Q337 VanDerWaalsContact O-N 3.13Å; N335-Q337 PolarHBondContact OD1-NE2 3Å; Q337-T455 HydrophobicContact CG-CG2 3.76Å; Q337-P541 CarbonylContact O-C 3.55Å; Q337-P541 VanDerWaalsContact O-CA 3.25Å; Q337-P541 WeakPolarHBondContact O-CA 3.46Å; Q337-A542 PolarHBondContact N-O 2.89Å; Q337-A542 PolarHBondContact O-N 3.32Å; Q337-P578 PolarHBondContact NE2-O 3.11Å; Q337-I580 HydrophobicContact CB-CB 4.14Å; Q337-I580 HydrophobicContact CB-CG2 4.23Å
338	D	98.2	Very high	98	Very high	6 Å²	6	14.3 Å²	14.3	3%	0.032	8%	0.081	C	C	.	.			trans	-158.3	148.9	176.4	-179.9	46.8	0	0	0	110	W122 Y475 T537 H540	W122-D338 HydrophobicContact CH2-CB 4.19Å; W122-D338 HydrophobicContact CZ2-CB 4.13Å; D338-Y475 HydrophobicContact CB-CE1 4.11Å; D338-Y475 PolarHBondContact OD2-OH 3.07Å; D338-T537 PolarHBondContact OD1-OG1 3Å; D338-T537 VanDerWaalsContact OD2-CB 3.26Å; D338-T537 WeakPolarHBondContact OD2-CB 3.46Å; D338-T537 PolarHBondContact OD2-OG1 2.82Å; D338-H540 WeakPolarHBondContact OD1-CA 3.44Å; D338-H540 PolarHBondContact OD1-N 3.28Å
339	H	98.3	Very high	98	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.079	C	C	.	.			trans	-80.8	127	171.6	-70.3	162.9	0	0	0	110.2	L449 L450 I538 H540 V581 G583	H339-L449 PolarHBondContact CD2-O 2.76Å; H339-L450 PolarHBondContact NE2-O 2.91Å; H339-L450 VanDerWaalsContact NE2-O 3.09Å; H339-I538 HydrophobicContact CB-CD1 3.56Å; H339-I538 HydrophobicContact CB-CG1 3.59Å; H339-I538 PolarHBondContact O-N 3.24Å; H339-H540 HydrophobicContact CB-CB 4.38Å; H339-H540 AromaticContact CG-ND1 3.87Å; H339-H540 AromaticContact ND1-ND1 3.21Å; H339-H540 PolarHBondContact ND1-ND1 3.29Å; H339-V581 PolarHBondContact CE1-O 3.42Å; H339-V581 PolarHBondContact NE2-O 2.86Å; H339-V581 VanDerWaalsContact NE2-O 3.16Å; H339-G583 PolarHBondContact CE1-O 2.84Å; H339-G583 PolarHBondContact ND1-O 3.18Å
340	V	98.1	Very high	97.9	Very high	3 Å²	3	14.1 Å²	14.1	2%	0.018	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	153.8	-174.9	69.8	0	0	0	0	110.4	L449 Y475 F476 T535 F536	V340-L449 HydrophobicContact CG1-CD2 4.34Å; V340-L449 VanDerWaalsContact O-CB 3.29Å; V340-L449 WeakPolarHBondContact O-CB 3.41Å; V340-L449 PolarHBondContact O-N 2.95Å; V340-Y475 HydrophobicContact CB-CD1 3.95Å; V340-Y475 HydrophobicContact CB-CE1 3.8Å; V340-Y475 HydrophobicContact CG1-CD1 4.06Å; V340-Y475 HydrophobicContact CG1-CE1 4.35Å; V340-Y475 HydrophobicContact CG2-CD1 3.95Å; V340-Y475 HydrophobicContact CG2-CD2 4.4Å; V340-Y475 HydrophobicContact CG2-CE1 3.92Å; V340-Y475 HydrophobicContact CG2-CE2 4.39Å; V340-Y475 HydrophobicContact CG2-CG 4.17Å; V340-F476 HydrophobicContact CG1-CE1 3.77Å; V340-F476 HydrophobicContact CG1-CZ 4.14Å; V340-F476 HydrophobicContact CG2-CE1 4.2Å; V340-F476 HydrophobicContact CG2-CZ 3.69Å; V340-T535 HydrophobicContact CG2-CG2 3.46Å; V340-T535 VanDerWaalsContact CG2-CG2 3.46Å; V340-F536 CarbonylContact C-O 3.51Å; V340-F536 VanDerWaalsContact CA-O 3.31Å; V340-F536 WeakPolarHBondContact CA-O 3.38Å; V340-F536 WeakPolarHBondContact CG2-O 3.4Å
341	G	98	Very high	97.6	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	-171.3	-177.9	0	0	0	0	0	113.5	P447 F536	G341-P447 WeakPolarHBondContact CA-O 3.19Å; G341-F536 PolarHBondContact N-O 2.91Å; G341-F536 PolarHBondContact O-N 2.73Å
342	L	97.9	Very high	97.3	Very high	5 Å²	5	17.8 Å²	17.8	3%	0.026	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	123.7	169.5	173.7	61.1	0	0	0	110	L345 P447 I489 W527 C530 I531 F534	L342-L345 HydrophobicContact CD2-CB 4.11Å; L342-L345 HydrophobicContact CD2-CD1 4.2Å; L342-L345 HydrophobicContact CG-CB 4.44Å; L342-P447 HydrophobicContact CB-CG 4.24Å; L342-I489 HydrophobicContact CB-CD1 4.06Å; L342-I489 HydrophobicContact CB-CG1 4.38Å; L342-I489 HydrophobicContact CD2-CD1 3.57Å; L342-I489 HydrophobicContact CD2-CG1 3.95Å; L342-I489 HydrophobicContact CG-CD1 4.44Å; L342-W527 HydrophobicContact CD2-CE3 4.07Å; L342-W527 HydrophobicContact CD2-CZ3 4.09Å; L342-C530 HydrophobicContact CD1-CB 3.84Å; L342-C530 WeakPolarHBondContact CD1-O 3.5Å; L342-C530 HydrophobicContact CD2-CB 4.44Å; L342-I531 HydrophobicContact CB-CG1 4.17Å; L342-F534 HydrophobicContact CD1-CB 4.36Å
343	G	95.1	Very high	96.9	Very high	1 Å²	1	19 Å²	19	1%	0.01	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77	140.2	170.6	0	0	0	0	0	112.3	L345 F534 F536	G343-L345 VanDerWaalsContact C-N 3.34Å; G343-L345 PolarHBondContact O-N 3.17Å; G343-F534 PolarHBondContact N-O 2.83Å; G343-F534 WeakPolarHBondContact O-CD1 3.45Å; G343-F534 WeakPolarHBondContact O-CG 3.26Å; G343-F536 VanDerWaalsContact CA-CB 3.41Å
344	G	93.9	Very high	96.7	Very high	7 Å²	7	19 Å²	19	7%	0.072	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.2	29.4	166.6	0	0	0	0	0	115.4	T346 Y434	G344-T346 PolarHBondContact O-N 3.42Å; G344-T346 PolarHBondContact O-OG1 2.87Å; G344-Y434 WeakPolarHBondContact CA-OH 3.34Å; G344-Y434 PolarHBondContact O-OH 2.72Å
345	L	98	Very high	96.3	Very high	6 Å²	6	17.2 Å²	17.2	3%	0.031	10%	0.103	C	C	.	.			trans	-62.9	100.8	163.9	-178.5	67	0	0	0	108.7	L342 G343 F347 S444 I445 P447 I489 A492 L508 W527	L342-L345 HydrophobicContact CD2-CB 4.11Å; L342-L345 HydrophobicContact CD2-CD1 4.2Å; L342-L345 HydrophobicContact CG-CB 4.44Å; G343-L345 VanDerWaalsContact C-N 3.34Å; G343-L345 PolarHBondContact O-N 3.17Å; L345-F347 HydrophobicContact CD1-CZ 4.44Å; L345-F347 HydrophobicContact CD2-CE2 4.22Å; L345-F347 HydrophobicContact CD2-CZ 4.28Å; L345-F347 HydrophobicContact CG-CE2 3.86Å; L345-F347 HydrophobicContact CG-CZ 4.1Å; L345-S444 WeakPolarHBondContact O-CA 3.47Å; L345-S444 WeakPolarHBondContact O-CB 3.48Å; L345-I445 PolarHBondContact O-N 3.24Å; L345-P447 HydrophobicContact CD2-CG 4.27Å; L345-I489 HydrophobicContact CD1-CG2 4.16Å; L345-I489 HydrophobicContact CD2-CG1 4.48Å; L345-I489 HydrophobicContact CD2-CG2 4.2Å; L345-A492 HydrophobicContact CD2-CB 3.62Å; L345-L508 HydrophobicContact CD1-CD1 3.8Å; L345-W527 HydrophobicContact CD1-CH2 4.09Å; L345-W527 HydrophobicContact CD1-CZ3 4.17Å
346	T	98.5	Very high	95.8	Very high	2 Å²	2	17 Å²	17	1%	0.012	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	141.5	-164.8	-57.5	0	0	0	0	110.8	G344 S410 L437 T442 H509	G344-T346 PolarHBondContact O-N 3.42Å; G344-T346 PolarHBondContact O-OG1 2.87Å; T346-S410 WeakPolarHBondContact CG2-OG 3.42Å; T346-S410 PolarHBondContact OG1-OG 2.69Å; T346-L437 HydrophobicContact CG2-CD1 3.95Å; T346-T442 HydrophobicContact CG2-CG2 3.88Å; T346-H509 HydrophobicContact CG2-CB 4.3Å; T346-H509 WeakPolarHBondContact O-CB 3.42Å; T346-H509 PolarHBondContact O-N 3.2Å
347	F	98.6	Very high	95	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	139.8	175.2	-58.4	-93.7	0	0	0	109.1	L345 T442 W443 I493 S496 R507 L508	L345-F347 HydrophobicContact CD1-CZ 4.44Å; L345-F347 HydrophobicContact CD2-CE2 4.22Å; L345-F347 HydrophobicContact CD2-CZ 4.28Å; L345-F347 HydrophobicContact CG-CE2 3.86Å; L345-F347 HydrophobicContact CG-CZ 4.1Å; F347-T442 CarbonylContact O-C 3.57Å; F347-T442 WeakPolarHBondContact O-CA 3.49Å; F347-T442 WeakPolarHBondContact O-CB 3.28Å; F347-W443 HydrophobicContact CB-CD2 3.79Å; F347-W443 HydrophobicContact CB-CE3 4.36Å; F347-W443 HydrophobicContact CB-CG 4.22Å; F347-W443 HydrophobicContact CB-CH2 4.17Å; F347-W443 HydrophobicContact CB-CZ2 3.57Å; F347-W443 HydrophobicContact CB-CZ3 4.49Å; F347-W443 HydrophobicContact CD1-CH2 4.04Å; F347-W443 AromaticContact CD1-CZ2 3.91Å; F347-W443 HydrophobicContact CD1-CZ2 3.91Å; F347-W443 AromaticContact CD2-CD2 3.99Å; F347-W443 HydrophobicContact CD2-CD2 3.99Å; F347-W443 AromaticContact CD2-CE2 3.97Å; F347-W443 AromaticContact CD2-CE3 3.67Å; F347-W443 HydrophobicContact CD2-CE3 3.67Å; F347-W443 AromaticContact CD2-CH2 3.35Å; F347-W443 HydrophobicContact CD2-CH2 3.35Å; F347-W443 AromaticContact CD2-CZ2 3.7Å; F347-W443 HydrophobicContact CD2-CZ2 3.7Å; F347-W443 AromaticContact CD2-CZ3 3.3Å; F347-W443 HydrophobicContact CD2-CZ3 3.3Å; F347-W443 HydrophobicContact CE1-CH2 4.28Å; F347-W443 HydrophobicContact CE2-CE3 4.34Å; F347-W443 AromaticContact CE2-CH2 3.62Å; F347-W443 HydrophobicContact CE2-CH2 3.62Å; F347-W443 HydrophobicContact CE2-CZ2 4.35Å; F347-W443 AromaticContact CE2-CZ3 3.59Å; F347-W443 HydrophobicContact CE2-CZ3 3.59Å; F347-W443 HydrophobicContact CG-CD2 4.16Å; F347-W443 AromaticContact CG-CE2 3.71Å; F347-W443 HydrophobicContact CG-CE3 4.27Å; F347-W443 AromaticContact CG-CH2 3.58Å; F347-W443 HydrophobicContact CG-CH2 3.58Å; F347-W443 AromaticContact CG-CZ2 3.44Å; F347-W443 HydrophobicContact CG-CZ2 3.44Å; F347-W443 VanDerWaalsContact CG-CZ2 3.44Å; F347-W443 AromaticContact CG-CZ3 3.97Å; F347-W443 HydrophobicContact CG-CZ3 3.97Å; F347-W443 HydrophobicContact CZ-CH2 4.08Å; F347-W443 HydrophobicContact CZ-CZ3 4.45Å; F347-W443 PolarHBondContact N-O 3.31Å; F347-W443 PolarHBondContact O-N 3.45Å; F347-I493 HydrophobicContact CE1-CG1 4.37Å; F347-I493 HydrophobicContact CZ-CG1 4.33Å; F347-S496 VanDerWaalsContact CD1-CB 3.44Å; F347-S496 WeakPolarHBondContact CD1-OG 3.13Å; F347-S496 VanDerWaalsContact CE1-CB 3.45Å; F347-R507 CarbonylContact C-O 3.49Å; F347-R507 WeakPolarHBondContact CA-O 3.41Å; F347-L508 HydrophobicContact CD1-CB 4.25Å; F347-L508 HydrophobicContact CD1-CD1 4.28Å; F347-L508 HydrophobicContact CE1-CB 4.19Å; F347-L508 HydrophobicContact CE1-CD1 3.86Å; F347-L508 HydrophobicContact CZ-CD1 4.17Å
348	V	98.3	Very high	94.3	Very high	14 Å²	14	27.8 Å²	27.8	9%	0.085	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	139.9	176.9	-178	0	0	0	0	108.6	L437 E441 T442 S506 R507	V348-L437 HydrophobicContact CG2-CD2 3.9Å; V348-E441 WeakPolarHBondContact CA-O 3.45Å; V348-T442 HydrophobicContact CG2-CG2 4.24Å; V348-S506 CarbonylContact O-C 3.58Å; V348-S506 VanDerWaalsContact O-CA 3.3Å; V348-S506 WeakPolarHBondContact O-CA 3.41Å; V348-R507 HydrophobicContact CB-CG 4.24Å; V348-R507 PolarHBondContact N-O 2.77Å; V348-R507 PolarHBondContact O-N 3.08Å
349	V	98	Very high	93.6	Very high	5 Å²	5	31.6 Å²	31.6	3%	0.03	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	158.9	172.1	-68.8	0	0	0	0	109.8	L353 T354 E441 W443 F504	V349-L353 HydrophobicContact CG2-CD1 4.39Å; V349-T354 HydrophobicContact CG2-CG2 3.68Å; V349-E441 HydrophobicContact CG2-CB 3.71Å; V349-E441 PolarHBondContact N-O 2.97Å; V349-W443 VanDerWaalsContact CG1-CD1 3.49Å; V349-F504 WeakPolarHBondContact CA-O 3.43Å; V349-F504 HydrophobicContact CB-CB 4.26Å; V349-F504 WeakPolarHBondContact CB-O 3.17Å; V349-F504 HydrophobicContact CG1-CB 4.12Å
350	D	96.7	Very high	92.6	Very high	107 Å²	107	32.6 Å²	32.6	57%	0.572	17%	0.172	S	C	*	.	S	Bend	trans	-94.7	-8.1	-177.5	-59.4	-40.2	0	0	0	112.8	F504 R507	D350-F504 PolarHBondContact N-O 3.39Å; D350-R507 VanDerWaalsContact CG-NH1 3.28Å; D350-R507 IonicContact OD1-CZ 3.83Å; D350-R507 VanDerWaalsContact OD1-CZ 3.3Å; D350-R507 IonicContact OD1-NH1 2.9Å; D350-R507 PolarHBondContact OD1-NH1 3.29Å; D350-R507 IonicContact OD1-NH2 3.84Å; D350-R507 PolarHBondContact OD1-NH2 3.43Å; D350-R507 IonicContact OD2-NH1 2.91Å; D350-R507 PolarHBondContact OD2-NH1 3.07Å; D350-R507 VanDerWaalsContact OD2-NH1 3.11Å
351	A	91.5	Very high	91.5	Very high	25 Å²	25	36.4 Å²	36.4	21%	0.207	19%	0.19	C	C	.	.	S	Bend	trans	-98.6	139.3	-177.5	0	0	0	0	0	112.7	L353 E441 F504	A351-L353 HydrophobicContact CB-CD2 3.69Å; A351-L353 HydrophobicContact CB-CG 3.8Å; A351-L353 PolarHBondContact O-N 3.19Å; A351-E441 WeakPolarHBondContact O-CB 3.43Å; A351-E441 WeakPolarHBondContact O-CG 3.13Å; A351-F504 HydrophobicContact CB-CD1 4.08Å
352	P	92.3	Very high	90.7	Very high	96 Å²	96	38.6 Å²	38.6	62%	0.623	20%	0.203	S	C	*	.	S	Bend	trans	-79.9	56.4	-176.7	34.9	-37.8	0	0	0	113.1	R359	P352-R359 VanDerWaalsContact O-CZ 3.28Å; P352-R359 PolarHBondContact O-NE 3.07Å; P352-R359 PolarHBondContact O-NH2 2.73Å
353	L	91.8	Very high	89.9	Confident	26 Å²	26	45 Å²	45	14%	0.136	24%	0.236	C	C	.	.			trans	-120.4	0.8	-170.4	55.6	62.6	0	0	0	114.1	L201 V349 A351 E441 F504	L201-L353 HydrophobicContact CD1-CD1 3.38Å; L201-L353 HydrophobicContact CD2-CD1 3.68Å; L201-L353 HydrophobicContact CD2-CD2 4.42Å; L201-L353 HydrophobicContact CG-CD1 3.34Å; V349-L353 HydrophobicContact CG2-CD1 4.39Å; A351-L353 HydrophobicContact CB-CD2 3.69Å; A351-L353 HydrophobicContact CB-CG 3.8Å; A351-L353 PolarHBondContact O-N 3.19Å; L353-E441 PolarHBondContact N-OE2 2.76Å; L353-F504 HydrophobicContact CD2-CD1 3.51Å; L353-F504 HydrophobicContact CD2-CD2 4.44Å; L353-F504 HydrophobicContact CD2-CE1 3.37Å; L353-F504 HydrophobicContact CD2-CE2 4.31Å; L353-F504 HydrophobicContact CD2-CG 4.04Å; L353-F504 HydrophobicContact CD2-CZ 3.78Å
354	T	94.1	Very high	89.4	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.266	C	S	.	.	S	Bend	trans	-84	171.9	-179.1	69.4	0	0	0	0	111.4	L201 V349 R359 F360 P408 E441 T442	L201-T354 HydrophobicContact CD1-CG2 4.01Å; V349-T354 HydrophobicContact CG2-CG2 3.68Å; T354-R359 PolarHBondContact O-NH1 2.96Å; T354-F360 WeakPolarHBondContact O-CE2 3.46Å; T354-P408 CarbonylContact C-O 3.58Å; T354-P408 WeakPolarHBondContact CA-O 3.45Å; T354-P408 VanDerWaalsContact CB-O 3.28Å; T354-P408 WeakPolarHBondContact CB-O 3.23Å; T354-E441 WeakPolarHBondContact CB-OE2 3.38Å; T354-E441 HydrophobicContact CG2-CB 3.95Å; T354-E441 PolarHBondContact N-OE2 3.28Å; T354-E441 PolarHBondContact OG1-OE2 3.16Å; T354-T442 WeakPolarHBondContact CB-O 3.48Å; T354-T442 WeakPolarHBondContact CG2-O 3.34Å
355	V	90.4	Very high	89	Confident	18 Å²	18	50.3 Å²	50.3	11%	0.109	27%	0.268	C	S	.	.			trans	-87	110.6	174.4	178	0	0	0	0	108.7	T199 F360 F379 P408 S413	T199-V355 HydrophobicContact CG2-CG2 3.98Å; V355-F360 HydrophobicContact CB-CD1 4.48Å; V355-F360 HydrophobicContact CB-CD2 4.48Å; V355-F360 HydrophobicContact CB-CE1 4.25Å; V355-F360 HydrophobicContact CB-CE2 4.26Å; V355-F360 HydrophobicContact CB-CZ 4.17Å; V355-F360 HydrophobicContact CG1-CB 4.46Å; V355-F360 HydrophobicContact CG1-CD1 3.87Å; V355-F360 HydrophobicContact CG1-CD2 4.13Å; V355-F360 HydrophobicContact CG1-CE1 4.13Å; V355-F360 HydrophobicContact CG1-CE2 4.38Å; V355-F360 HydrophobicContact CG1-CG 3.9Å; V355-F360 HydrophobicContact CG1-CZ 4.41Å; V355-F360 HydrophobicContact CG2-CD1 4.22Å; V355-F360 HydrophobicContact CG2-CE1 3.64Å; V355-F360 HydrophobicContact CG2-CE2 4.29Å; V355-F360 HydrophobicContact CG2-CZ 3.7Å; V355-F379 HydrophobicContact CB-CE1 4.2Å; V355-F379 HydrophobicContact CG1-CD1 4.25Å; V355-F379 HydrophobicContact CG1-CE1 3.95Å; V355-F379 HydrophobicContact CG2-CD1 4.15Å; V355-F379 HydrophobicContact CG2-CE1 3.79Å; V355-F379 HydrophobicContact CG2-CZ 4.16Å; V355-P408 HydrophobicContact CB-CG 4.42Å; V355-P408 HydrophobicContact CG2-CB 4.22Å; V355-P408 HydrophobicContact CG2-CG 3.6Å; V355-P408 PolarHBondContact N-O 2.86Å; V355-S413 VanDerWaalsContact O-CB 3.29Å; V355-S413 WeakPolarHBondContact O-CB 3.49Å; V355-S413 PolarHBondContact O-OG 2.98Å
356	T	87.9	Confident	88.3	Confident	22 Å²	22	51.8 Å²	51.8	14%	0.135	28%	0.279	C	S	.	.			trans	-125.2	151.7	175.7	63.5	0	0	0	0	110.1	N358 R359 F360 S413	T356-N358 VanDerWaalsContact C-N 3.3Å; T356-N358 PolarHBondContact O-N 3Å; T356-R359 PolarHBondContact O-N 3.29Å; T356-F360 WeakPolarHBondContact O-CB 3.5Å; T356-F360 WeakPolarHBondContact O-CD2 3.27Å; T356-F360 PolarHBondContact O-N 3.48Å; T356-S413 WeakPolarHBondContact CA-O 3.47Å
357	R	82.1	Confident	87.5	Confident	97 Å²	97	56.3 Å²	56.3	37%	0.366	30%	0.302	S	S	.	.	H	α-helix	trans	-52.5	-48.2	179.6	-178.5	176.6	179.1	-153.7	12.9	112.9	R359 F360 Q361 S413 E417	R357-R359 PolarHBondContact O-N 2.78Å; R357-F360 PolarHBondContact O-N 2.97Å; R357-Q361 HydrophobicContact CG-CB 4.19Å; R357-Q361 HydrophobicContact CG-CG 4.36Å; R357-Q361 PolarHBondContact O-N 2.89Å; R357-S413 PolarHBondContact N-O 3.2Å; R357-S413 VanDerWaalsContact N-O 3.08Å; R357-E417 IonicContact CZ-OE1 3.5Å; R357-E417 IonicContact CZ-OE2 3.58Å; R357-E417 IonicContact NE-OE2 3.74Å; R357-E417 IonicContact NH1-OE1 2.91Å; R357-E417 PolarHBondContact NH1-OE1 2.82Å; R357-E417 IonicContact NH1-OE2 2.82Å; R357-E417 PolarHBondContact NH1-OE2 2.94Å; R357-E417 IonicContact NH2-OE1 3.9Å; R357-E417 IonicContact NH2-OE2 2.72Å; R357-E417 PolarHBondContact NH2-OE2 2.8Å; R357-E417 VanDerWaalsContact NH2-OE2 3.16Å
358	N	81.9	Confident	86.8	Confident	143 Å²	143	59.3 Å²	59.3	77%	0.765	32%	0.316	S	S	*	.	H	α-helix	trans	-65.3	-24.1	-174.3	-66.8	-9.9	0	0	0	113.8	T356 T362	T356-N358 VanDerWaalsContact C-N 3.3Å; T356-N358 PolarHBondContact O-N 3Å; N358-T362 WeakPolarHBondContact O-CG2 3.09Å
359	R	83.7	Confident	86.2	Confident	87 Å²	87	59.8 Å²	59.8	33%	0.328	32%	0.316	S	S	.	.	H	α-helix	trans	-91.5	-23.7	178.5	-178.3	179.7	-45.6	112.4	1.1	112.4	P352 T354 T356 R357 E441	P352-R359 VanDerWaalsContact O-CZ 3.28Å; P352-R359 PolarHBondContact O-NE 3.07Å; P352-R359 PolarHBondContact O-NH2 2.73Å; T354-R359 PolarHBondContact O-NH1 2.96Å; T356-R359 PolarHBondContact O-N 3.29Å; R357-R359 PolarHBondContact O-N 2.78Å; R359-E441 IonicContact CZ-OE1 3.92Å; R359-E441 IonicContact CZ-OE2 3.99Å; R359-E441 IonicContact NH1-OE1 3.5Å; R359-E441 PolarHBondContact NH1-OE1 3.08Å; R359-E441 IonicContact NH1-OE2 3.36Å; R359-E441 PolarHBondContact NH1-OE2 3.21Å; R359-E441 IonicContact NH2-OE1 3.62Å; R359-E441 PolarHBondContact NH2-OE1 3.38Å; R359-E441 IonicContact NH2-OE2 2.66Å; R359-E441 PolarHBondContact NH2-OE2 3Å
360	F	78.7	Confident	85.5	Confident	20 Å²	20	65 Å²	65	9%	0.088	34%	0.343	C	S	.	.	H	α-helix	trans	-118.8	-25.3	-164.8	-71.8	-109.3	0	0	0	115.1	W197 T354 V355 T356 R357 V365 P376	W197-F360 HydrophobicContact CH2-CD1 4.4Å; W197-F360 AromaticContact CH2-CE1 3.21Å; W197-F360 HydrophobicContact CH2-CE1 3.21Å; W197-F360 AromaticContact CH2-CZ 3.61Å; W197-F360 HydrophobicContact CH2-CZ 3.61Å; W197-F360 AromaticContact CZ2-CE1 3.69Å; W197-F360 HydrophobicContact CZ2-CE1 3.69Å; W197-F360 HydrophobicContact CZ2-CZ 4.03Å; W197-F360 AromaticContact CZ3-CE1 3.77Å; W197-F360 HydrophobicContact CZ3-CE1 3.77Å; T354-F360 WeakPolarHBondContact O-CE2 3.46Å; V355-F360 HydrophobicContact CB-CD1 4.48Å; V355-F360 HydrophobicContact CB-CD2 4.48Å; V355-F360 HydrophobicContact CB-CE1 4.25Å; V355-F360 HydrophobicContact CB-CE2 4.26Å; V355-F360 HydrophobicContact CB-CZ 4.17Å; V355-F360 HydrophobicContact CG1-CB 4.46Å; V355-F360 HydrophobicContact CG1-CD1 3.87Å; V355-F360 HydrophobicContact CG1-CD2 4.13Å; V355-F360 HydrophobicContact CG1-CE1 4.13Å; V355-F360 HydrophobicContact CG1-CE2 4.38Å; V355-F360 HydrophobicContact CG1-CG 3.9Å; V355-F360 HydrophobicContact CG1-CZ 4.41Å; V355-F360 HydrophobicContact CG2-CD1 4.22Å; V355-F360 HydrophobicContact CG2-CE1 3.64Å; V355-F360 HydrophobicContact CG2-CE2 4.29Å; V355-F360 HydrophobicContact CG2-CZ 3.7Å; T356-F360 WeakPolarHBondContact O-CB 3.5Å; T356-F360 WeakPolarHBondContact O-CD2 3.27Å; T356-F360 PolarHBondContact O-N 3.48Å; R357-F360 PolarHBondContact O-N 2.97Å; F360-V365 WeakPolarHBondContact O-CG1 3.45Å; F360-P376 HydrophobicContact CD1-CB 3.3Å; F360-P376 HydrophobicContact CD1-CG 4.24Å; F360-P376 HydrophobicContact CE1-CB 3.61Å; F360-P376 HydrophobicContact CE1-CG 4.33Å; F360-P376 HydrophobicContact CG-CB 4.29Å
361	Q	75.3	Confident	84.9	Confident	84 Å²	84	66 Å²	66	39%	0.393	35%	0.347	S	S	.	.	S	Bend	trans	-103.3	53.7	176.8	-63.3	-175.5	-0.3	0	0	110.1	Y91 R357	Y91-Q361 PolarHBondContact OH-NE2 3.1Å; R357-Q361 HydrophobicContact CG-CB 4.19Å; R357-Q361 HydrophobicContact CG-CG 4.36Å; R357-Q361 PolarHBondContact O-N 2.89Å
362	T	80.7	Confident	84.6	Confident	45 Å²	45	72.2 Å²	72.2	28%	0.276	37%	0.365	S	S	.	.	S	Bend	trans	-109.6	153.4	-179.6	67.8	0	0	0	0	110.9	N358 V365 S366	N358-T362 WeakPolarHBondContact O-CG2 3.09Å; T362-V365 PolarHBondContact O-N 3.13Å; T362-V365 VanDerWaalsContact O-N 3.13Å; T362-V365 WeakPolarHBondContact OG1-CG2 3.48Å; T362-S366 PolarHBondContact O-N 2.9Å; T362-S366 PolarHBondContact O-OG 2.68Å
363	I	81.1	Confident	84.3	Confident	140 Å²	140	71.8 Å²	71.8	72%	0.718	36%	0.355	S	S	*	.	H	α-helix	trans	-53.3	-46.3	179.3	-65.1	171	0	0	0	112.2	V365 S366 M367	I363-V365 PolarHBondContact O-N 2.82Å; I363-S366 PolarHBondContact O-N 3.46Å; I363-M367 HydrophobicContact CG2-CG 4.17Å; I363-M367 VanDerWaalsContact O-CG 3.31Å; I363-M367 WeakPolarHBondContact O-CG 3.42Å; I363-M367 PolarHBondContact O-N 3.42Å
364	P	84	Confident	84.1	Confident	97 Å²	97	78.4 Å²	78.4	63%	0.63	38%	0.378	S	S	*	.	H	α-helix	trans	-61.2	-41.6	178.2	-24.9	35.9	0	0	0	113.4	S366 M367 E368	P364-S366 VanDerWaalsContact C-N 3.33Å; P364-M367 PolarHBondContact O-N 3.26Å; P364-E368 PolarHBondContact O-N 3.47Å
365	V	85.4	Confident	83.9	Confident	22 Å²	22	79.1 Å²	79.1	13%	0.133	39%	0.385	C	S	.	.	H	α-helix	trans	-64.8	-40.6	176.9	169	0	0	0	0	110.8	F360 T362 I363 E368 Y369 P376 M377	F360-V365 WeakPolarHBondContact O-CG1 3.45Å; T362-V365 PolarHBondContact O-N 3.13Å; T362-V365 VanDerWaalsContact O-N 3.13Å; T362-V365 WeakPolarHBondContact OG1-CG2 3.48Å; I363-V365 PolarHBondContact O-N 2.82Å; V365-E368 PolarHBondContact O-N 2.75Å; V365-Y369 PolarHBondContact O-N 2.91Å; V365-P376 HydrophobicContact CG1-CB 4.02Å; V365-P376 HydrophobicContact CG1-CG 3.95Å; V365-P376 HydrophobicContact CG2-CG 4.19Å; V365-M377 HydrophobicContact CG1-CG 3.74Å
366	S	83.6	Confident	83.8	Confident	37 Å²	37	79.3 Å²	79.3	26%	0.259	39%	0.387	S	S	.	.	H	α-helix	trans	-64.1	-43.7	176	-60.3	0	0	0	0	112.5	T362 I363 P364 Y369 I370	T362-S366 PolarHBondContact O-N 2.9Å; T362-S366 PolarHBondContact O-OG 2.68Å; I363-S366 PolarHBondContact O-N 3.46Å; P364-S366 VanDerWaalsContact C-N 3.33Å; S366-Y369 PolarHBondContact O-N 3.13Å; S366-I370 VanDerWaalsContact O-CG1 3.29Å; S366-I370 WeakPolarHBondContact O-CG1 3.15Å; S366-I370 PolarHBondContact O-N 3.2Å
367	M	80.9	Confident	83.8	Confident	98 Å²	98	79.2 Å²	79.2	48%	0.483	39%	0.385	S	S	.	.	H	α-helix	trans	-66.6	-38.3	178.6	-69.1	-64.9	-89.9	0	0	112.2	I363 P364 Y369 I370 L371	I363-M367 HydrophobicContact CG2-CG 4.17Å; I363-M367 VanDerWaalsContact O-CG 3.31Å; I363-M367 WeakPolarHBondContact O-CG 3.42Å; I363-M367 PolarHBondContact O-N 3.42Å; P364-M367 PolarHBondContact O-N 3.26Å; M367-Y369 VanDerWaalsContact C-N 3.32Å; M367-Y369 PolarHBondContact O-N 2.78Å; M367-I370 PolarHBondContact O-N 2.93Å; M367-L371 WeakPolarHBondContact O-CB 3.47Å; M367-L371 WeakPolarHBondContact O-CG 3.45Å; M367-L371 PolarHBondContact O-N 3.42Å
368	E	84.2	Confident	84.3	Confident	63 Å²	63	74.6 Å²	74.6	29%	0.294	37%	0.368	S	S	.	.	H	α-helix	trans	-61.1	-41.2	175.9	-173.7	65.8	-166.7	0	0	111.5	P364 V365 R372	P364-E368 PolarHBondContact O-N 3.47Å; V365-E368 PolarHBondContact O-N 2.75Å; E368-R372 WeakPolarHBondContact O-CA 3.46Å; E368-R372 VanDerWaalsContact O-CB 3.32Å; E368-R372 WeakPolarHBondContact O-CB 3.26Å; E368-R372 PolarHBondContact O-N 3.45Å; E368-R372 WeakPolarHBondContact OE1-CD 3.4Å; E368-R372 IonicContact OE1-CZ 2.8Å; E368-R372 IonicContact OE1-NE 2.69Å; E368-R372 IonicContact OE1-NH1 2.93Å; E368-R372 PolarHBondContact OE1-NH1 3.1Å; E368-R372 IonicContact OE2-CZ 2.92Å; E368-R372 IonicContact OE2-NE 3.62Å; E368-R372 IonicContact OE2-NH1 2.86Å; E368-R372 PolarHBondContact OE2-NH1 2.9Å
369	Y	86.4	Confident	84.5	Confident	23 Å²	23	68.4 Å²	68.4	9%	0.09	33%	0.334	C	S	.	.	H	α-helix	trans	-67.8	-48	175.2	178.2	-94	0	0	0	112.4	D84 V85 V365 S366 M367 L371 E373 R374 M377 T378	D84-Y369 PolarHBondContact O-OH 2.75Å; V85-Y369 HydrophobicContact CB-CE1 4.46Å; V85-Y369 HydrophobicContact CG1-CE1 4.26Å; V85-Y369 HydrophobicContact CG1-CE2 4.46Å; V85-Y369 HydrophobicContact CG2-CE1 3.74Å; V365-Y369 PolarHBondContact O-N 2.91Å; S366-Y369 PolarHBondContact O-N 3.13Å; M367-Y369 VanDerWaalsContact C-N 3.32Å; M367-Y369 PolarHBondContact O-N 2.78Å; Y369-L371 VanDerWaalsContact C-N 3.28Å; Y369-L371 PolarHBondContact O-N 2.79Å; Y369-E373 WeakPolarHBondContact O-CA 3.39Å; Y369-E373 PolarHBondContact O-N 3.41Å; Y369-R374 WeakPolarHBondContact CA-O 3.3Å; Y369-R374 PolarHBondContact N-O 3.35Å; Y369-M377 HydrophobicContact CD1-CE 3.44Å; Y369-M377 VanDerWaalsContact CD1-CE 3.44Å; Y369-M377 HydrophobicContact CD2-CB 3.77Å; Y369-M377 HydrophobicContact CD2-CE 4.39Å; Y369-M377 HydrophobicContact CE1-CE 4.37Å; Y369-M377 HydrophobicContact CE2-CB 4.41Å; Y369-M377 HydrophobicContact CG-CB 3.9Å; Y369-M377 HydrophobicContact CG-CE 3.46Å; Y369-M377 VanDerWaalsContact CG-CE 3.46Å; Y369-T378 HydrophobicContact CD2-CG2 3.9Å; Y369-T378 HydrophobicContact CE2-CG2 4.03Å
370	I	83.5	Confident	84.6	Confident	116 Å²	116	64.6 Å²	64.6	60%	0.595	32%	0.321	S	S	*	.	H	α-helix	trans	-61	-40.6	-176.7	-70.5	165.5	0	0	0	110.9	S366 M367	S366-I370 VanDerWaalsContact O-CG1 3.29Å; S366-I370 WeakPolarHBondContact O-CG1 3.15Å; S366-I370 PolarHBondContact O-N 3.2Å; M367-I370 PolarHBondContact O-N 2.93Å
371	L	83.9	Confident	85.1	Confident	127 Å²	127	64.7 Å²	64.7	67%	0.665	33%	0.328	S	S	*	.	H	α-helix	trans	-88	-25.9	-174.4	-63.2	175	0	0	0	113.5	M367 Y369	M367-L371 WeakPolarHBondContact O-CB 3.47Å; M367-L371 WeakPolarHBondContact O-CG 3.45Å; M367-L371 PolarHBondContact O-N 3.42Å; Y369-L371 VanDerWaalsContact C-N 3.28Å; Y369-L371 PolarHBondContact O-N 2.79Å
372	R	84.1	Confident	86.1	Confident	155 Å²	155	61.1 Å²	61.1	59%	0.585	31%	0.311	S	S	*	.	H	α-helix	trans	-135.2	-0.3	-168.8	-60.6	171.8	172.8	173.1	2.1	115	E368 R374	E368-R372 WeakPolarHBondContact O-CA 3.46Å; E368-R372 VanDerWaalsContact O-CB 3.32Å; E368-R372 WeakPolarHBondContact O-CB 3.26Å; E368-R372 PolarHBondContact O-N 3.45Å; E368-R372 WeakPolarHBondContact OE1-CD 3.4Å; E368-R372 IonicContact OE1-CZ 2.8Å; E368-R372 IonicContact OE1-NE 2.69Å; E368-R372 IonicContact OE1-NH1 2.93Å; E368-R372 PolarHBondContact OE1-NH1 3.1Å; E368-R372 IonicContact OE2-CZ 2.92Å; E368-R372 IonicContact OE2-NE 3.62Å; E368-R372 IonicContact OE2-NH1 2.86Å; E368-R372 PolarHBondContact OE2-NH1 2.9Å; R372-R374 HydrophobicContact CB-CB 4.36Å; R372-R374 WeakPolarHBondContact O-CG 3.49Å; R372-R374 PolarHBondContact O-N 3.07Å
373	E	86.1	Confident	86.8	Confident	87 Å²	87	59.6 Å²	59.6	41%	0.407	30%	0.301	S	S	.	.	S	Bend	trans	55.2	34.8	-179.7	-56.2	171	147.7	0	0	112.5	R236 Y369 T378	R236-E373 WeakPolarHBondContact CB-OE2 3.42Å; R236-E373 VanDerWaalsContact O-CB 3.31Å; R236-E373 WeakPolarHBondContact O-CB 3.29Å; Y369-E373 WeakPolarHBondContact O-CA 3.39Å; Y369-E373 PolarHBondContact O-N 3.41Å; E373-T378 WeakPolarHBondContact O-CG2 3.32Å
374	R	87.4	Confident	87.6	Confident	166 Å²	166	52.9 Å²	52.9	63%	0.626	27%	0.267	S	S	*	.			trans	-131.6	170.7	-172.6	-78.9	175.8	-173.8	-161.4	1.4	112	Y369 R372	Y369-R374 WeakPolarHBondContact CA-O 3.3Å; Y369-R374 PolarHBondContact N-O 3.35Å; R372-R374 HydrophobicContact CB-CB 4.36Å; R372-R374 WeakPolarHBondContact O-CG 3.49Å; R372-R374 PolarHBondContact O-N 3.07Å
375	G	89.9	Confident	88.3	Confident	14 Å²	14	48.4 Å²	48.4	14%	0.144	24%	0.237	C	C	.	.	S	Bend	trans	85.4	-168.3	172.8	0	0	0	0	0	113.6	W197 M377 T378	W197-G375 WeakPolarHBondContact CB-O 3.36Å; G375-M377 PolarHBondContact O-N 3.22Å; G375-T378 WeakPolarHBondContact O-CB 3.12Å; G375-T378 WeakPolarHBondContact O-CG2 3.42Å; G375-T378 PolarHBondContact O-N 3.42Å; G375-T378 PolarHBondContact O-OG1 3.34Å
376	P	89.9	Confident	88.9	Confident	22 Å²	22	47.3 Å²	47.3	14%	0.143	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-62.4	-20	-165.5	-20.6	26.7	0	0	0	116.1	W197 F360 V365 T378 F379	W197-P376 HydrophobicContact CD2-CB 4.12Å; W197-P376 HydrophobicContact CD2-CG 4.31Å; W197-P376 HydrophobicContact CE3-CB 4.38Å; W197-P376 HydrophobicContact CZ2-CB 4.16Å; W197-P376 HydrophobicContact CZ2-CG 4.09Å; F360-P376 HydrophobicContact CD1-CB 3.3Å; F360-P376 HydrophobicContact CD1-CG 4.24Å; F360-P376 HydrophobicContact CE1-CB 3.61Å; F360-P376 HydrophobicContact CE1-CG 4.33Å; F360-P376 HydrophobicContact CG-CB 4.29Å; V365-P376 HydrophobicContact CG1-CB 4.02Å; V365-P376 HydrophobicContact CG1-CG 3.95Å; V365-P376 HydrophobicContact CG2-CG 4.19Å; P376-T378 PolarHBondContact O-N 3.19Å; P376-F379 WeakPolarHBondContact O-CB 3.16Å; P376-F379 PolarHBondContact O-N 2.79Å
377	M	87.7	Confident	89.6	Confident	20 Å²	20	45.6 Å²	45.6	10%	0.099	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-74.4	-12.3	177.2	-59.8	-148.6	-55.9	0	0	113.9	V85 P86 A87 V365 Y369 G375 F379	V85-M377 HydrophobicContact CG1-CB 3.89Å; V85-M377 HydrophobicContact CG1-CE 4.33Å; V85-M377 HydrophobicContact CG1-SD 4.37Å; P86-M377 WeakPolarHBondContact CD-O 3.05Å; A87-M377 HydrophobicContact CB-CB 4.47Å; A87-M377 WeakPolarHBondContact CB-O 3.48Å; A87-M377 PolarHBondContact N-O 3Å; A87-M377 VanDerWaalsContact N-O 3.1Å; V365-M377 HydrophobicContact CG1-CG 3.74Å; Y369-M377 HydrophobicContact CD1-CE 3.44Å; Y369-M377 VanDerWaalsContact CD1-CE 3.44Å; Y369-M377 HydrophobicContact CD2-CB 3.77Å; Y369-M377 HydrophobicContact CD2-CE 4.39Å; Y369-M377 HydrophobicContact CE1-CE 4.37Å; Y369-M377 HydrophobicContact CE2-CB 4.41Å; Y369-M377 HydrophobicContact CG-CB 3.9Å; Y369-M377 HydrophobicContact CG-CE 3.46Å; Y369-M377 VanDerWaalsContact CG-CE 3.46Å; G375-M377 PolarHBondContact O-N 3.22Å; M377-F379 PolarHBondContact O-N 3.13Å
378	T	91.1	Very high	90.4	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-76.4	-7.9	172.3	66.9	0	0	0	0	113.1	P86 P196 W197 Y369 E373 G375 P376	P86-T378 WeakPolarHBondContact CB-O 3.26Å; P196-T378 HydrophobicContact CG-CG2 3.96Å; P196-T378 WeakPolarHBondContact CG-OG1 2.97Å; W197-T378 WeakPolarHBondContact CB-OG1 3.44Å; Y369-T378 HydrophobicContact CD2-CG2 3.9Å; Y369-T378 HydrophobicContact CE2-CG2 4.03Å; E373-T378 WeakPolarHBondContact O-CG2 3.32Å; G375-T378 WeakPolarHBondContact O-CB 3.12Å; G375-T378 WeakPolarHBondContact O-CG2 3.42Å; G375-T378 PolarHBondContact O-N 3.42Å; G375-T378 PolarHBondContact O-OG1 3.34Å; P376-T378 PolarHBondContact O-N 3.19Å
379	F	86.5	Confident	91	Very high	13 Å²	13	39.4 Å²	39.4	6%	0.057	19%	0.19	C	C	.	.			trans	-67.5	133.3	177.3	169.7	-122.7	0	0	0	111.9	P86 A87 W197 V355 P376 M377 G381 E383 P408	P86-F379 CarbonylContact C-O 3.54Å; P86-F379 WeakPolarHBondContact CB-O 3.34Å; A87-F379 WeakPolarHBondContact CA-O 3.01Å; A87-F379 WeakPolarHBondContact CB-O 3.41Å; A87-F379 PolarHBondContact N-O 3.36Å; W197-F379 HydrophobicContact CE3-CB 4.03Å; W197-F379 HydrophobicContact CZ3-CB 4.27Å; W197-F379 HydrophobicContact CZ3-CG 4.42Å; V355-F379 HydrophobicContact CB-CE1 4.2Å; V355-F379 HydrophobicContact CG1-CD1 4.25Å; V355-F379 HydrophobicContact CG1-CE1 3.95Å; V355-F379 HydrophobicContact CG2-CD1 4.15Å; V355-F379 HydrophobicContact CG2-CE1 3.79Å; V355-F379 HydrophobicContact CG2-CZ 4.16Å; P376-F379 WeakPolarHBondContact O-CB 3.16Å; P376-F379 PolarHBondContact O-N 2.79Å; M377-F379 PolarHBondContact O-N 3.13Å; F379-G381 VanDerWaalsContact CE2-C 3.46Å; F379-G381 VanDerWaalsContact CE2-N 3.31Å; F379-G381 WeakPolarHBondContact CZ-O 3.28Å; F379-E383 HydrophobicContact CD2-CG 3.93Å; F379-E383 HydrophobicContact CE2-CG 3.39Å; F379-E383 HydrophobicContact CZ-CG 4.37Å; F379-P408 HydrophobicContact CE2-CG 3.99Å; F379-P408 HydrophobicContact CZ-CG 3.67Å
380	S	85.9	Confident	91.5	Very high	7 Å²	7	38.7 Å²	38.7	5%	0.049	19%	0.188	C	C	.	.			trans	-95.3	-3.9	-174.4	60.2	0	0	0	0	115.7	A136 M137 V382	A136-S380 WeakPolarHBondContact O-CB 3.36Å; M137-S380 VanDerWaalsContact CE-CB 3.48Å; S380-V382 PolarHBondContact OG-O 3.09Å
381	G	90	Very high	92.2	Very high	23 Å²	23	39.6 Å²	39.6	24%	0.237	19%	0.187	C	C	.	.	S	Bend	trans	101.9	-38.7	-173.1	0	0	0	0	0	113.6	F379 C407	F379-G381 VanDerWaalsContact CE2-C 3.46Å; F379-G381 VanDerWaalsContact CE2-N 3.31Å; F379-G381 WeakPolarHBondContact CZ-O 3.28Å; G381-C407 PolarHBondContact O-SG 2.81Å; G381-C407 VanDerWaalsContact O-SG 3.38Å
382	V	96	Very high	92.8	Very high	8 Å²	8	38.9 Å²	38.9	5%	0.048	18%	0.177	C	C	.	.			trans	-113.7	107.7	-177.5	-177	0	0	0	0	109.2	A136 V138 T230 S380 G384 V385 H405 F406	A136-V382 HydrophobicContact CB-CG2 4.32Å; V138-V382 HydrophobicContact CG2-CB 3.95Å; V138-V382 HydrophobicContact CG2-CG1 4.2Å; V138-V382 HydrophobicContact CG2-CG2 4.14Å; T230-V382 WeakPolarHBondContact CB-O 3.33Å; T230-V382 PolarHBondContact OG1-O 2.92Å; T230-V382 VanDerWaalsContact OG1-O 3.12Å; S380-V382 PolarHBondContact OG-O 3.09Å; V382-G384 WeakPolarHBondContact CG1-O 3.42Å; V382-V385 HydrophobicContact CG1-CG1 3.96Å; V382-H405 HydrophobicContact CG1-CB 3.8Å; V382-H405 HydrophobicContact CG2-CB 4.05Å; V382-F406 WeakPolarHBondContact CA-O 3.42Å
383	E	95.9	Very high	93.4	Very high	13 Å²	13	32.5 Å²	32.5	6%	0.061	15%	0.153	C	C	.	.			trans	-86	-32.1	-177.8	-65.3	-164	128.1	0	0	112.8	R198 T199 T230 F379 F406 P408	R198-E383 WeakPolarHBondContact CA-OE1 3.3Å; T199-E383 WeakPolarHBondContact CB-OE2 3.46Å; T199-E383 PolarHBondContact N-OE1 3.25Å; T199-E383 PolarHBondContact OG1-OE2 3.48Å; T230-E383 PolarHBondContact N-O 2.72Å; T230-E383 VanDerWaalsContact OG1-C 3.28Å; T230-E383 PolarHBondContact OG1-O 3.41Å; F379-E383 HydrophobicContact CD2-CG 3.93Å; F379-E383 HydrophobicContact CE2-CG 3.39Å; F379-E383 HydrophobicContact CZ-CG 4.37Å; E383-F406 HydrophobicContact CB-CD1 4.12Å; E383-F406 HydrophobicContact CB-CE1 4.31Å; E383-F406 PolarHBondContact N-O 3.43Å; E383-P408 HydrophobicContact CG-CG 3.84Å; E383-P408 WeakPolarHBondContact OE2-CG 3.38Å
384	G	97.7	Very high	93.7	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	150.7	-178.7	0	0	0	0	0	111.3	M228 T230 V382 F406	M228-G384 VanDerWaalsContact O-CA 3.3Å; M228-G384 WeakPolarHBondContact O-CA 3.43Å; T230-G384 PolarHBondContact OG1-N 2.93Å; V382-G384 WeakPolarHBondContact CG1-O 3.42Å; G384-F406 PolarHBondContact O-N 2.8Å
385	V	98.3	Very high	93.8	Very high	2 Å²	2	29.7 Å²	29.7	1%	0.012	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	146.8	167.8	-64.1	0	0	0	0	109.4	V138 M228 V382 F387 F404	V138-V385 HydrophobicContact CG1-CG1 4.24Å; M228-V385 HydrophobicContact CG-CG2 3.52Å; M228-V385 PolarHBondContact N-O 3.38Å; M228-V385 PolarHBondContact O-N 3.34Å; M228-V385 HydrophobicContact SD-CG2 4.24Å; V382-V385 HydrophobicContact CG1-CG1 3.96Å; V385-F387 HydrophobicContact CB-CE2 4.36Å; V385-F387 HydrophobicContact CG2-CE2 4.15Å; V385-F404 VanDerWaalsContact CA-O 3.22Å; V385-F404 WeakPolarHBondContact CA-O 3.31Å
386	A	98.5	Very high	94	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	149.2	168.3	0	0	0	0	0	110	F205 G226 F227 L388 Q403 F404	F205-A386 HydrophobicContact CE1-CB 4.29Å; F205-A386 HydrophobicContact CZ-CB 3.73Å; G226-A386 CarbonylContact O-C 3.59Å; G226-A386 WeakPolarHBondContact O-CA 3.22Å; F227-A386 HydrophobicContact CB-CB 4.49Å; F227-A386 HydrophobicContact CD1-CB 3.65Å; F227-A386 HydrophobicContact CD2-CB 3.87Å; F227-A386 HydrophobicContact CE1-CB 3.69Å; F227-A386 HydrophobicContact CE2-CB 3.92Å; F227-A386 HydrophobicContact CG-CB 3.73Å; F227-A386 HydrophobicContact CZ-CB 3.82Å; A386-L388 HydrophobicContact CB-CD1 4.47Å; A386-L388 HydrophobicContact CB-CD2 4.27Å; A386-L388 HydrophobicContact CB-CG 4.28Å; A386-Q403 CarbonylContact O-C 3.46Å; A386-Q403 VanDerWaalsContact O-CA 3.23Å; A386-Q403 WeakPolarHBondContact O-CA 3.33Å; A386-F404 HydrophobicContact CB-CB 4.11Å; A386-F404 HydrophobicContact CB-CD2 4.28Å; A386-F404 HydrophobicContact CB-CG 4.49Å; A386-F404 PolarHBondContact N-O 3.4Å; A386-F404 VanDerWaalsContact N-O 3.14Å; A386-F404 PolarHBondContact O-N 3.31Å
387	F	98.4	Very high	94.2	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	121.2	175.1	-71.9	-96	0	0	0	108.1	V140 I219 Q224 T225 G226 V385 P400 V402 Q403 L450 N582	V140-F387 HydrophobicContact CG1-CZ 3.79Å; V140-F387 HydrophobicContact CG2-CE2 4.41Å; V140-F387 HydrophobicContact CG2-CZ 4.13Å; I219-F387 HydrophobicContact CB-CD2 4.14Å; I219-F387 HydrophobicContact CB-CE2 4.24Å; I219-F387 HydrophobicContact CD1-CE2 3.8Å; I219-F387 HydrophobicContact CD1-CZ 4.27Å; I219-F387 HydrophobicContact CG1-CD2 4.43Å; I219-F387 HydrophobicContact CG1-CE2 4.03Å; I219-F387 HydrophobicContact CG2-CD2 3.9Å; I219-F387 HydrophobicContact CG2-CE2 4.33Å; Q224-F387 HydrophobicContact CG-CB 4.09Å; Q224-F387 HydrophobicContact CG-CD1 3.93Å; Q224-F387 HydrophobicContact CG-CD2 4.2Å; Q224-F387 HydrophobicContact CG-CE1 4.45Å; Q224-F387 HydrophobicContact CG-CG 3.81Å; T225-F387 CarbonylContact C-O 3.56Å; T225-F387 WeakPolarHBondContact CA-O 3.33Å; T225-F387 WeakPolarHBondContact CG2-O 3.49Å; G226-F387 PolarHBondContact N-O 3.32Å; G226-F387 PolarHBondContact O-N 2.56Å; V385-F387 HydrophobicContact CB-CE2 4.36Å; V385-F387 HydrophobicContact CG2-CE2 4.15Å; F387-P400 HydrophobicContact CB-CB 3.89Å; F387-P400 HydrophobicContact CB-CG 3.55Å; F387-P400 HydrophobicContact CD1-CG 4.14Å; F387-P400 HydrophobicContact CG-CG 4.28Å; F387-V402 WeakPolarHBondContact CA-O 3.34Å; F387-Q403 HydrophobicContact CD1-CB 4.18Å; F387-Q403 HydrophobicContact CD1-CG 4.4Å; F387-Q403 HydrophobicContact CE1-CB 3.95Å; F387-Q403 HydrophobicContact CE1-CG 3.91Å; F387-Q403 HydrophobicContact CE2-CG 4.28Å; F387-Q403 HydrophobicContact CZ-CB 4.38Å; F387-Q403 HydrophobicContact CZ-CG 3.82Å; F387-Q403 VanDerWaalsContact CZ-NE2 3.28Å; F387-L450 HydrophobicContact CD1-CD1 3.65Å; F387-L450 HydrophobicContact CE1-CD1 3.9Å; F387-L450 HydrophobicContact CE1-CD2 4.45Å; F387-N582 WeakPolarHBondContact CE1-O 3.39Å
388	L	97.6	Very high	94.6	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	149.1	-164.9	-52.2	172.1	0	0	0	110.4	Y214 F227 A386 P400 D401 V402 F404 L491	Y214-L388 HydrophobicContact CD1-CD2 3.79Å; Y214-L388 HydrophobicContact CD2-CD2 4.11Å; Y214-L388 HydrophobicContact CE1-CD2 3.5Å; Y214-L388 HydrophobicContact CE2-CD2 3.83Å; Y214-L388 HydrophobicContact CG-CD2 4.08Å; F227-L388 HydrophobicContact CD2-CD2 4.22Å; F227-L388 HydrophobicContact CE2-CD2 3.47Å; F227-L388 VanDerWaalsContact CE2-CD2 3.47Å; F227-L388 HydrophobicContact CZ-CD1 4.45Å; F227-L388 HydrophobicContact CZ-CD2 4.08Å; A386-L388 HydrophobicContact CB-CD1 4.47Å; A386-L388 HydrophobicContact CB-CD2 4.27Å; A386-L388 HydrophobicContact CB-CG 4.28Å; L388-P400 VanDerWaalsContact O-CB 3.31Å; L388-P400 WeakPolarHBondContact O-CB 3.36Å; L388-D401 PolarHBondContact O-N 3.34Å; L388-V402 PolarHBondContact N-O 2.7Å; L388-V402 PolarHBondContact O-N 3.29Å; L388-F404 HydrophobicContact CD1-CD1 4.4Å; L388-F404 HydrophobicContact CD1-CD2 3.64Å; L388-F404 HydrophobicContact CD1-CE1 4.1Å; L388-F404 HydrophobicContact CD1-CE2 3.27Å; L388-F404 HydrophobicContact CD1-CG 4.2Å; L388-F404 HydrophobicContact CD1-CZ 3.53Å; L388-L491 HydrophobicContact CB-CD1 4.19Å; L388-L491 HydrophobicContact CD1-CB 4.38Å; L388-L491 HydrophobicContact CD1-CD1 4.28Å
389	N	96.5	Very high	94.9	Very high	31 Å²	31	38.4 Å²	38.4	17%	0.166	21%	0.208	C	C	.	.			trans	-91.6	126.7	170.9	-61.6	-26.7	0	0	0	108.9	Q393 P400 D401	N389-Q393 HydrophobicContact CB-CB 4.12Å; N389-Q393 HydrophobicContact CB-CG 4.02Å; N389-Q393 WeakPolarHBondContact OD1-CG 3.17Å; N389-P400 WeakPolarHBondContact OD1-CA 3.32Å; N389-D401 WeakPolarHBondContact CA-OD1 3.45Å
390	T	97.6	Very high	95.4	Very high	8 Å²	8	37.8 Å²	37.8	5%	0.049	21%	0.205	C	C	.	.			trans	-80.3	175.7	159.8	79.6	0	0	0	0	110.4	Y392 Q393 D401 V402 V484 E487	T390-Y392 PolarHBondContact O-N 3Å; T390-Y392 VanDerWaalsContact O-N 3.07Å; T390-Y392 WeakPolarHBondContact OG1-CD2 3.08Å; T390-Y392 PolarHBondContact OG1-N 3.16Å; T390-Y392 VanDerWaalsContact OG1-N 3.17Å; T390-Q393 PolarHBondContact O-N 2.79Å; T390-Q393 VanDerWaalsContact O-N 3.1Å; T390-D401 PolarHBondContact N-OD1 2.89Å; T390-D401 PolarHBondContact OG1-OD2 3.08Å; T390-V402 HydrophobicContact CG2-CB 4.37Å; T390-V402 HydrophobicContact CG2-CG2 3.45Å; T390-V402 VanDerWaalsContact CG2-CG2 3.45Å; T390-V484 HydrophobicContact CG2-CG1 3.95Å; T390-E487 HydrophobicContact CG2-CB 3.81Å
391	K	96.4	Very high	96	Very high	135 Å²	135	37.7 Å²	37.7	59%	0.587	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-12.2	173.7	73.6	-168.8	-176.2	-162.3	0	114.3	E487	K391-E487 HydrophobicContact CD-CG 4.17Å; K391-E487 HydrophobicContact CG-CG 4.31Å; K391-E487 IonicContact NZ-OE1 3.79Å; K391-E487 PolarHBondContact NZ-OE1 2.92Å
392	Y	96.8	Very high	96.4	Very high	112 Å²	112	36.6 Å²	36.6	44%	0.439	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-9.1	178.2	-58.2	-75.1	0	0	0	113	T390 D483 V484 E487	T390-Y392 PolarHBondContact O-N 3Å; T390-Y392 VanDerWaalsContact O-N 3.07Å; T390-Y392 WeakPolarHBondContact OG1-CD2 3.08Å; T390-Y392 PolarHBondContact OG1-N 3.16Å; T390-Y392 VanDerWaalsContact OG1-N 3.17Å; Y392-D483 HydrophobicContact CE2-CB 3.95Å; Y392-V484 HydrophobicContact CD2-CB 4.47Å; Y392-V484 HydrophobicContact CD2-CG2 3.69Å; Y392-V484 HydrophobicContact CE2-CG2 4.44Å; Y392-V484 HydrophobicContact CG-CG2 4.11Å; Y392-E487 HydrophobicContact CD2-CG 4.44Å; Y392-E487 HydrophobicContact CE2-CG 3.87Å
393	Q	96.3	Very high	96.5	Very high	21 Å²	21	36.2 Å²	36.2	10%	0.098	19%	0.19	C	C	.	.	S	Bend	trans	-102.7	131.4	176	170.6	53.3	26.9	0	0	110.5	N389 T390 P395 V397 W399 D401	N389-Q393 HydrophobicContact CB-CB 4.12Å; N389-Q393 HydrophobicContact CB-CG 4.02Å; N389-Q393 WeakPolarHBondContact OD1-CG 3.17Å; T390-Q393 PolarHBondContact O-N 2.79Å; T390-Q393 VanDerWaalsContact O-N 3.1Å; Q393-P395 VanDerWaalsContact O-CD 3.3Å; Q393-P395 WeakPolarHBondContact O-CD 3.25Å; Q393-P395 VanDerWaalsContact O-N 3.17Å; Q393-V397 PolarHBondContact NE2-O 2.93Å; Q393-V397 VanDerWaalsContact NE2-O 3.17Å; Q393-W399 VanDerWaalsContact CG-O 3.28Å; Q393-W399 WeakPolarHBondContact CG-O 3.39Å; Q393-W399 PolarHBondContact NE2-O 2.76Å; Q393-W399 PolarHBondContact OE1-O 2.72Å; Q393-D401 HydrophobicContact CB-CB 4.36Å
394	D	94.2	Very high	96.6	Very high	84 Å²	84	35.6 Å²	35.6	45%	0.449	19%	0.188	S	C	.	.			trans	-60.3	115.1	172	-178.1	-11.7	0	0	0	109.9	S396 V397	D394-S396 PolarHBondContact O-N 3.49Å; D394-S396 VanDerWaalsContact OD1-CB 3.32Å; D394-S396 WeakPolarHBondContact OD1-CB 3.4Å; D394-S396 PolarHBondContact OD1-N 2.61Å; D394-S396 PolarHBondContact OD1-OG 2.88Å; D394-S396 PolarHBondContact OD2-OG 2.83Å; D394-S396 VanDerWaalsContact OD2-OG 3.08Å; D394-V397 HydrophobicContact CB-CG2 4.39Å; D394-V397 PolarHBondContact O-N 3.24Å; D394-V397 VanDerWaalsContact O-N 3.17Å
395	P	89.6	Confident	96.7	Very high	110 Å²	110	36 Å²	36	71%	0.714	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70	-14.4	-176.8	30	-36.2	0	0	0	113.3	Q393 V397	Q393-P395 VanDerWaalsContact O-CD 3.3Å; Q393-P395 WeakPolarHBondContact O-CD 3.25Å; Q393-P395 VanDerWaalsContact O-N 3.17Å; P395-V397 VanDerWaalsContact C-N 3.25Å
396	S	93	Very high	96.7	Very high	100 Å²	100	35.9 Å²	35.9	70%	0.699	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76	-15	175.1	74.7	0	0	0	0	113.1	D394	D394-S396 PolarHBondContact O-N 3.49Å; D394-S396 VanDerWaalsContact OD1-CB 3.32Å; D394-S396 WeakPolarHBondContact OD1-CB 3.4Å; D394-S396 PolarHBondContact OD1-N 2.61Å; D394-S396 PolarHBondContact OD1-OG 2.88Å; D394-S396 PolarHBondContact OD2-OG 2.83Å; D394-S396 VanDerWaalsContact OD2-OG 3.08Å
397	V	95	Very high	96.6	Very high	52 Å²	52	36.5 Å²	36.5	32%	0.315	19%	0.193	S	C	.	.	S	Bend	trans	-110	120.4	178.7	-174.4	0	0	0	0	108.9	Q393 D394 P395 W399	Q393-V397 PolarHBondContact NE2-O 2.93Å; Q393-V397 VanDerWaalsContact NE2-O 3.17Å; D394-V397 HydrophobicContact CB-CG2 4.39Å; D394-V397 PolarHBondContact O-N 3.24Å; D394-V397 VanDerWaalsContact O-N 3.17Å; P395-V397 VanDerWaalsContact C-N 3.25Å; V397-W399 HydrophobicContact CG1-CB 4.01Å; V397-W399 PolarHBondContact O-N 3.13Å
398	D	96	Very high	96.5	Very high	31 Å²	31	36.5 Å²	36.5	17%	0.166	19%	0.193	C	C	.	.			trans	-71.3	73.1	174.5	-179.1	46.6	0	0	0	111.2	S143 N145 Q223 Q224 T225	S143-D398 PolarHBondContact OG-O 3.49Å; N145-D398 PolarHBondContact ND2-O 2.83Å; Q223-D398 WeakPolarHBondContact CA-OD2 3.2Å; Q224-D398 PolarHBondContact N-OD1 3.3Å; Q224-D398 PolarHBondContact N-OD2 3.05Å; T225-D398 WeakPolarHBondContact CB-OD1 3.47Å; T225-D398 PolarHBondContact N-OD1 2.94Å; T225-D398 PolarHBondContact OG1-OD1 2.79Å
399	W	96.9	Very high	96.4	Very high	57 Å²	57	37.6 Å²	37.6	22%	0.216	20%	0.2	C	C	.	.			trans	-141.9	71.8	178.9	-155.1	4.7	0	0	0	109.8	N145 D146 H149 Q393 V397 R451 N582	N145-W399 HydrophobicContact CB-CB 4.28Å; N145-W399 HydrophobicContact CB-CD2 3.36Å; N145-W399 HydrophobicContact CB-CE3 3.79Å; N145-W399 HydrophobicContact CB-CG 3.6Å; N145-W399 HydrophobicContact CB-CH2 4.43Å; N145-W399 HydrophobicContact CB-CZ2 4.08Å; N145-W399 HydrophobicContact CB-CZ3 4.3Å; D146-W399 PolarHBondContact OD1-NE1 2.93Å; H149-W399 HydrophobicContact CB-CH2 4.09Å; H149-W399 HydrophobicContact CB-CZ2 4.42Å; Q393-W399 VanDerWaalsContact CG-O 3.28Å; Q393-W399 WeakPolarHBondContact CG-O 3.39Å; Q393-W399 PolarHBondContact NE2-O 2.76Å; Q393-W399 PolarHBondContact OE1-O 2.72Å; V397-W399 HydrophobicContact CG1-CB 4.01Å; V397-W399 PolarHBondContact O-N 3.13Å; W399-R451 PolarHBondContact O-NH1 3.19Å; W399-N582 PolarHBondContact NE1-ND2 2.99Å
400	P	97.4	Very high	96.4	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.194	C	C	.	.			trans	-58.9	142.2	-176.6	22.1	-30.2	0	0	0	112	Q224 F387 L388 N389 N582	Q224-P400 HydrophobicContact CB-CG 4.29Å; Q224-P400 HydrophobicContact CG-CG 4.12Å; F387-P400 HydrophobicContact CB-CB 3.89Å; F387-P400 HydrophobicContact CB-CG 3.55Å; F387-P400 HydrophobicContact CD1-CG 4.14Å; F387-P400 HydrophobicContact CG-CG 4.28Å; L388-P400 VanDerWaalsContact O-CB 3.31Å; L388-P400 WeakPolarHBondContact O-CB 3.36Å; N389-P400 WeakPolarHBondContact OD1-CA 3.32Å; P400-N582 PolarHBondContact O-OD1 2.77Å
401	D	97.7	Very high	96.3	Very high	5 Å²	5	36.5 Å²	36.5	3%	0.027	19%	0.194	C	C	.	.	S	Bend	trans	-103.7	-10	-176.6	56.9	-16.2	0	0	0	113.6	L388 N389 T390 Q393 L450 V484	L388-D401 PolarHBondContact O-N 3.34Å; N389-D401 WeakPolarHBondContact CA-OD1 3.45Å; T390-D401 PolarHBondContact N-OD1 2.89Å; T390-D401 PolarHBondContact OG1-OD2 3.08Å; Q393-D401 HydrophobicContact CB-CB 4.36Å; D401-L450 PolarHBondContact O-N 3.17Å; D401-V484 HydrophobicContact CB-CG1 4.36Å
402	V	98.4	Very high	96.2	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	133.6	175.2	173	0	0	0	0	111.1	F387 L388 T390 F404 L448 V484	F387-V402 WeakPolarHBondContact CA-O 3.34Å; L388-V402 PolarHBondContact N-O 2.7Å; L388-V402 PolarHBondContact O-N 3.29Å; T390-V402 HydrophobicContact CG2-CB 4.37Å; T390-V402 HydrophobicContact CG2-CG2 3.45Å; T390-V402 VanDerWaalsContact CG2-CG2 3.45Å; V402-F404 HydrophobicContact CG1-CD1 3.83Å; V402-F404 HydrophobicContact CG1-CE1 3.57Å; V402-L448 WeakPolarHBondContact CA-O 3.32Å; V402-V484 HydrophobicContact CG2-CG1 3.71Å
403	Q	98.4	Very high	96	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	137.4	166.8	176.6	-177.7	27.2	0	0	110.2	A386 F387 H405 L448 L450 N584	A386-Q403 CarbonylContact O-C 3.46Å; A386-Q403 VanDerWaalsContact O-CA 3.23Å; A386-Q403 WeakPolarHBondContact O-CA 3.33Å; F387-Q403 HydrophobicContact CD1-CB 4.18Å; F387-Q403 HydrophobicContact CD1-CG 4.4Å; F387-Q403 HydrophobicContact CE1-CB 3.95Å; F387-Q403 HydrophobicContact CE1-CG 3.91Å; F387-Q403 HydrophobicContact CE2-CG 4.28Å; F387-Q403 HydrophobicContact CZ-CB 4.38Å; F387-Q403 HydrophobicContact CZ-CG 3.82Å; F387-Q403 VanDerWaalsContact CZ-NE2 3.28Å; Q403-H405 VanDerWaalsContact CD-NE2 3.32Å; Q403-H405 PolarHBondContact NE2-CD2 2.9Å; Q403-H405 PolarHBondContact NE2-NE2 3.27Å; Q403-H405 PolarHBondContact OE1-NE2 3.11Å; Q403-L448 HydrophobicContact CB-CB 4.28Å; Q403-L448 HydrophobicContact CB-CD1 4.4Å; Q403-L448 HydrophobicContact CG-CD1 4.22Å; Q403-L448 PolarHBondContact N-O 3.17Å; Q403-L448 WeakPolarHBondContact O-CB 3.44Å; Q403-L448 PolarHBondContact O-N 3.34Å; Q403-L450 HydrophobicContact CB-CD1 3.85Å; Q403-L450 HydrophobicContact CB-CD2 3.55Å; Q403-L450 HydrophobicContact CB-CG 3.82Å; Q403-N584 PolarHBondContact NE2-OD1 2.64Å
404	F	98.6	Very high	95.7	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	131.5	165.1	-68.2	-9.5	0	0	0	110.1	F205 V385 A386 L388 V402 I445 L446 P447 G488 L491 A492 V495	F205-F404 HydrophobicContact CZ-CB 4.37Å; V385-F404 VanDerWaalsContact CA-O 3.22Å; V385-F404 WeakPolarHBondContact CA-O 3.31Å; A386-F404 HydrophobicContact CB-CB 4.11Å; A386-F404 HydrophobicContact CB-CD2 4.28Å; A386-F404 HydrophobicContact CB-CG 4.49Å; A386-F404 PolarHBondContact N-O 3.4Å; A386-F404 VanDerWaalsContact N-O 3.14Å; A386-F404 PolarHBondContact O-N 3.31Å; L388-F404 HydrophobicContact CD1-CD1 4.4Å; L388-F404 HydrophobicContact CD1-CD2 3.64Å; L388-F404 HydrophobicContact CD1-CE1 4.1Å; L388-F404 HydrophobicContact CD1-CE2 3.27Å; L388-F404 HydrophobicContact CD1-CG 4.2Å; L388-F404 HydrophobicContact CD1-CZ 3.53Å; V402-F404 HydrophobicContact CG1-CD1 3.83Å; V402-F404 HydrophobicContact CG1-CE1 3.57Å; F404-I445 HydrophobicContact CB-CG2 3.85Å; F404-I445 HydrophobicContact CD1-CG2 3.6Å; F404-I445 HydrophobicContact CD2-CD1 4.01Å; F404-I445 HydrophobicContact CD2-CG2 3.87Å; F404-I445 HydrophobicContact CE1-CG2 4.04Å; F404-I445 HydrophobicContact CE2-CD1 4.3Å; F404-I445 HydrophobicContact CE2-CG2 4.28Å; F404-I445 HydrophobicContact CG-CG2 3.5Å; F404-I445 HydrophobicContact CZ-CG2 4.35Å; F404-L446 WeakPolarHBondContact CA-O 3.32Å; F404-P447 HydrophobicContact CD1-CB 4.21Å; F404-P447 HydrophobicContact CE1-CB 3.9Å; F404-G488 WeakPolarHBondContact CE1-O 3.49Å; F404-G488 VanDerWaalsContact CZ-O 3.25Å; F404-G488 WeakPolarHBondContact CZ-O 3.27Å; F404-L491 HydrophobicContact CE2-CB 4.3Å; F404-L491 HydrophobicContact CZ-CB 3.66Å; F404-A492 HydrophobicContact CE1-CB 4.21Å; F404-A492 HydrophobicContact CE2-CB 4.07Å; F404-A492 HydrophobicContact CZ-CB 3.71Å; F404-A492 VanDerWaalsContact CZ-N 3.33Å; F404-V495 HydrophobicContact CE2-CG2 4.05Å
405	H	98.2	Very high	95.5	Very high	8 Å²	8	22.4 Å²	22.4	4%	0.037	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	114.1	154.3	-69.4	179.9	0	0	0	107.8	V382 Q403 I445 L446 L448 N584	V382-H405 HydrophobicContact CG1-CB 3.8Å; V382-H405 HydrophobicContact CG2-CB 4.05Å; Q403-H405 VanDerWaalsContact CD-NE2 3.32Å; Q403-H405 PolarHBondContact NE2-CD2 2.9Å; Q403-H405 PolarHBondContact NE2-NE2 3.27Å; Q403-H405 PolarHBondContact OE1-NE2 3.11Å; H405-I445 WeakPolarHBondContact O-CA 3.28Å; H405-L446 HydrophobicContact CB-CB 4.23Å; H405-L446 HydrophobicContact CB-CD1 4.3Å; H405-L446 PolarHBondContact N-O 2.72Å; H405-L446 VanDerWaalsContact N-O 3.14Å; H405-L446 PolarHBondContact O-N 3.42Å; H405-L448 HydrophobicContact CB-CD1 4.4Å; H405-N584 PolarHBondContact CE1-ND2 2.78Å; H405-N584 PolarHBondContact NE2-OD1 3.47Å
406	F	98.4	Very high	95.4	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	122.9	174.8	170.8	-98.6	0	0	0	110.1	L201 F205 V382 E383 G384 P408 W443 I445 F501	L201-F406 HydrophobicContact CB-CE1 3.97Å; L201-F406 HydrophobicContact CB-CZ 3.53Å; L201-F406 HydrophobicContact CD1-CZ 4.23Å; L201-F406 HydrophobicContact CG-CZ 4.48Å; F205-F406 HydrophobicContact CB-CD1 4.01Å; F205-F406 HydrophobicContact CB-CD2 4.35Å; F205-F406 HydrophobicContact CB-CE1 4.31Å; F205-F406 HydrophobicContact CB-CG 4.07Å; F205-F406 HydrophobicContact CD1-CB 4.05Å; F205-F406 HydrophobicContact CD1-CD1 4.46Å; F205-F406 HydrophobicContact CD1-CG 4.26Å; F205-F406 HydrophobicContact CD2-CB 3.67Å; F205-F406 HydrophobicContact CD2-CD1 4.39Å; F205-F406 AromaticContact CD2-CD2 3.69Å; F205-F406 HydrophobicContact CD2-CD2 3.69Å; F205-F406 AromaticContact CD2-CG 3.62Å; F205-F406 HydrophobicContact CD2-CG 3.62Å; F205-F406 HydrophobicContact CE1-CB 3.98Å; F205-F406 HydrophobicContact CE2-CB 3.6Å; F205-F406 HydrophobicContact CE2-CD2 4.25Å; F205-F406 HydrophobicContact CE2-CG 4.08Å; F205-F406 HydrophobicContact CG-CB 3.88Å; F205-F406 HydrophobicContact CG-CD1 4.04Å; F205-F406 HydrophobicContact CG-CD2 4.14Å; F205-F406 AromaticContact CG-CG 3.71Å; F205-F406 HydrophobicContact CG-CG 3.71Å; F205-F406 HydrophobicContact CZ-CB 3.75Å; V382-F406 WeakPolarHBondContact CA-O 3.42Å; E383-F406 HydrophobicContact CB-CD1 4.12Å; E383-F406 HydrophobicContact CB-CE1 4.31Å; E383-F406 PolarHBondContact N-O 3.43Å; G384-F406 PolarHBondContact O-N 2.8Å; F406-P408 HydrophobicContact CE1-CB 4.46Å; F406-P408 HydrophobicContact CZ-CB 4.46Å; F406-W443 AromaticContact CD2-CE3 3.9Å; F406-W443 HydrophobicContact CD2-CE3 3.9Å; F406-W443 HydrophobicContact CD2-CZ3 4.29Å; F406-W443 HydrophobicContact CE2-CB 4.14Å; F406-W443 AromaticContact CE2-CD2 3.9Å; F406-W443 HydrophobicContact CE2-CD2 3.9Å; F406-W443 AromaticContact CE2-CE3 3.51Å; F406-W443 HydrophobicContact CE2-CE3 3.51Å; F406-W443 HydrophobicContact CE2-CG 4.21Å; F406-W443 HydrophobicContact CE2-CZ3 4.22Å; F406-W443 HydrophobicContact CZ-CB 4.38Å; F406-I445 HydrophobicContact CB-CG1 4.45Å; F406-I445 HydrophobicContact CD2-CG1 4.13Å; F406-F501 HydrophobicContact CD2-CZ 4.34Å; F406-F501 HydrophobicContact CE2-CE1 4.04Å; F406-F501 AromaticContact CE2-CZ 3.69Å; F406-F501 HydrophobicContact CE2-CZ 3.69Å; F406-F501 HydrophobicContact CZ-CE1 4.47Å; F406-F501 HydrophobicContact CZ-CZ 4.21Å
407	C	97.3	Very high	95	Very high	13 Å²	13	16.8 Å²	16.8	9%	0.088	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	125.3	179.5	-56.4	0	0	0	0	109	G381 S409 W443 S444	G381-C407 PolarHBondContact O-SG 2.81Å; G381-C407 VanDerWaalsContact O-SG 3.38Å; C407-S409 PolarHBondContact O-N 3.19Å; C407-W443 CarbonylContact O-C 3.49Å; C407-W443 WeakPolarHBondContact O-CA 3.5Å; C407-W443 WeakPolarHBondContact O-CB 3.4Å; C407-S444 PolarHBondContact N-O 3.22Å; C407-S444 PolarHBondContact O-N 3.01Å
408	P	96.4	Very high	94.8	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.09	C	C	.	.	S	Bend	trans	-75.2	30.5	172	37.2	-43.3	0	0	0	111.8	T199 L201 T354 V355 F379 E383 F406 T442	T199-P408 HydrophobicContact CG2-CB 3.77Å; T199-P408 HydrophobicContact CG2-CG 3.93Å; L201-P408 HydrophobicContact CD1-CB 4.17Å; T354-P408 CarbonylContact C-O 3.58Å; T354-P408 WeakPolarHBondContact CA-O 3.45Å; T354-P408 VanDerWaalsContact CB-O 3.28Å; T354-P408 WeakPolarHBondContact CB-O 3.23Å; V355-P408 HydrophobicContact CB-CG 4.42Å; V355-P408 HydrophobicContact CG2-CB 4.22Å; V355-P408 HydrophobicContact CG2-CG 3.6Å; V355-P408 PolarHBondContact N-O 2.86Å; F379-P408 HydrophobicContact CE2-CG 3.99Å; F379-P408 HydrophobicContact CZ-CG 3.67Å; E383-P408 HydrophobicContact CG-CG 3.84Å; E383-P408 WeakPolarHBondContact OE2-CG 3.38Å; F406-P408 HydrophobicContact CE1-CB 4.46Å; F406-P408 HydrophobicContact CZ-CB 4.46Å; P408-T442 CarbonylContact C-O 3.57Å
409	S	95.2	Very high	94.6	Very high	22 Å²	22	16.6 Å²	16.6	15%	0.154	9%	0.093	C	C	.	.			trans	-150	167.6	178.6	53.1	0	0	0	0	108.9	C407 S413 T442 S444	C407-S409 PolarHBondContact O-N 3.19Å; S409-S413 WeakPolarHBondContact CA-OG 3.24Å; S409-S413 WeakPolarHBondContact CB-OG 3.24Å; S409-T442 CarbonylContact C-O 3.58Å; S409-T442 VanDerWaalsContact CA-O 3.27Å; S409-T442 WeakPolarHBondContact CA-O 3.47Å; S409-T442 PolarHBondContact N-O 3.1Å; S409-S444 WeakPolarHBondContact O-CB 3.4Å; S409-S444 PolarHBondContact O-N 2.66Å; S409-S444 PolarHBondContact O-OG 3.12Å
410	S	96	Very high	94.5	Very high	4 Å²	4	15.9 Å²	15.9	3%	0.028	9%	0.09	C	C	.	.			trans	-142.9	-170.2	170.4	-167.7	0	0	0	0	110.9	T346 N412 S413	T346-S410 WeakPolarHBondContact CG2-OG 3.42Å; T346-S410 PolarHBondContact OG1-OG 2.69Å; S410-N412 WeakPolarHBondContact CB-OD1 3.48Å; S410-N412 PolarHBondContact O-N 3.49Å; S410-N412 VanDerWaalsContact O-N 3.13Å; S410-S413 PolarHBondContact N-OG 2.74Å; S410-S413 VanDerWaalsContact O-CB 3.27Å; S410-S413 WeakPolarHBondContact O-CB 3.19Å; S410-S413 PolarHBondContact O-N 2.78Å; S410-S413 PolarHBondContact O-OG 3.15Å
411	I	95.7	Very high	94.4	Very high	13 Å²	13	21.1 Å²	21.1	7%	0.067	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-26.1	-173.5	-50.1	-51.1	0	0	0	112.9	I419 L423 L425 Y430 Y434 F534	I411-I419 HydrophobicContact CD1-CG2 3.93Å; I411-I419 HydrophobicContact CG2-CG2 4.33Å; I411-L423 HydrophobicContact CD1-CD1 3.45Å; I411-L423 VanDerWaalsContact CD1-CD1 3.45Å; I411-L425 HydrophobicContact CG2-CD1 3.84Å; I411-Y430 HydrophobicContact CG2-CD2 4.02Å; I411-Y430 HydrophobicContact CG2-CE2 4.06Å; I411-Y434 HydrophobicContact CB-CD1 3.73Å; I411-Y434 HydrophobicContact CB-CD2 3.99Å; I411-Y434 HydrophobicContact CB-CE1 3.96Å; I411-Y434 HydrophobicContact CB-CE2 4.2Å; I411-Y434 HydrophobicContact CB-CG 3.75Å; I411-Y434 HydrophobicContact CG1-CD1 4.19Å; I411-Y434 HydrophobicContact CG1-CD2 4.42Å; I411-Y434 HydrophobicContact CG1-CE1 3.88Å; I411-Y434 HydrophobicContact CG1-CE2 4.12Å; I411-Y434 HydrophobicContact CG1-CG 4.46Å; I411-Y434 HydrophobicContact CG2-CD1 4.33Å; I411-Y434 HydrophobicContact CG2-CD2 3.71Å; I411-Y434 HydrophobicContact CG2-CE2 4.13Å; I411-Y434 HydrophobicContact CG2-CG 3.83Å; I411-F534 HydrophobicContact CD1-CZ 4.25Å; I411-F534 HydrophobicContact CG1-CE1 4.25Å; I411-F534 HydrophobicContact CG1-CZ 4.38Å
412	N	94.8	Very high	94.2	Very high	3 Å²	3	21.6 Å²	21.6	2%	0.016	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-17	177.8	60	-64.3	0	0	0	114.1	S410 D414 G415 Y434 L437 T442	S410-N412 WeakPolarHBondContact CB-OD1 3.48Å; S410-N412 PolarHBondContact O-N 3.49Å; S410-N412 VanDerWaalsContact O-N 3.13Å; N412-D414 PolarHBondContact O-N 3.37Å; N412-G415 PolarHBondContact O-N 3.01Å; N412-Y434 WeakPolarHBondContact CB-O 3.21Å; N412-L437 HydrophobicContact CB-CB 3.81Å; N412-L437 PolarHBondContact ND2-O 3.01Å; N412-T442 WeakPolarHBondContact ND2-CG2 3.27Å; N412-T442 PolarHBondContact ND2-OG1 3.08Å; N412-T442 VanDerWaalsContact ND2-OG1 3.09Å; N412-T442 PolarHBondContact OD1-OG1 2.86Å; N412-T442 VanDerWaalsContact OD1-OG1 3.06Å
413	S	93.4	Very high	94.1	Very high	11 Å²	11	22.3 Å²	22.3	8%	0.077	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-20.1	-165.9	-71.3	0	0	0	0	115.3	V355 T356 R357 S409 S410 T442	V355-S413 VanDerWaalsContact O-CB 3.29Å; V355-S413 WeakPolarHBondContact O-CB 3.49Å; V355-S413 PolarHBondContact O-OG 2.98Å; T356-S413 WeakPolarHBondContact CA-O 3.47Å; R357-S413 PolarHBondContact N-O 3.2Å; R357-S413 VanDerWaalsContact N-O 3.08Å; S409-S413 WeakPolarHBondContact CA-OG 3.24Å; S409-S413 WeakPolarHBondContact CB-OG 3.24Å; S410-S413 PolarHBondContact N-OG 2.74Å; S410-S413 VanDerWaalsContact O-CB 3.27Å; S410-S413 WeakPolarHBondContact O-CB 3.19Å; S410-S413 PolarHBondContact O-N 2.78Å; S410-S413 PolarHBondContact O-OG 3.15Å; S413-T442 PolarHBondContact OG-OG1 3.24Å
414	D	90	Very high	94	Very high	9 Å²	9	23 Å²	23	5%	0.048	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	7.4	176.8	77.1	-21.9	0	0	0	113.6	N412 G416 Q418 I419	N412-D414 PolarHBondContact O-N 3.37Å; D414-G416 VanDerWaalsContact C-N 3.26Å; D414-G416 PolarHBondContact O-N 3.04Å; D414-G416 PolarHBondContact OD1-N 2.96Å; D414-Q418 WeakPolarHBondContact OD2-CA 3.15Å; D414-Q418 PolarHBondContact OD2-N 2.77Å; D414-I419 HydrophobicContact CB-CD1 3.95Å; D414-I419 HydrophobicContact CB-CG1 4.23Å; D414-I419 WeakPolarHBondContact OD2-CG1 3.36Å; D414-I419 PolarHBondContact OD2-N 2.9Å
415	G	88.3	Confident	94	Very high	33 Å²	33	23.1 Å²	23.1	34%	0.34	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.4	14.5	-176.6	0	0	0	0	0	114.5	N412	N412-G415 PolarHBondContact O-N 3.01Å
416	G	87.4	Confident	94	Very high	8 Å²	8	27.1 Å²	27.1	8%	0.082	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.3	14.7	177.2	0	0	0	0	0	114.8	D414 R420 Y430	D414-G416 VanDerWaalsContact C-N 3.26Å; D414-G416 PolarHBondContact O-N 3.04Å; D414-G416 PolarHBondContact OD1-N 2.96Å; G416-R420 PolarHBondContact O-NE 2.89Å; G416-Y430 VanDerWaalsContact CA-CZ 3.4Å; G416-Y430 WeakPolarHBondContact CA-OH 3.34Å; G416-Y430 PolarHBondContact N-OH 2.94Å; G416-Y430 VanDerWaalsContact N-OH 3.11Å
417	E	86.6	Confident	93.9	Very high	83 Å²	83	30.2 Å²	30.2	39%	0.388	16%	0.155	S	C	.	.	S	Bend	trans	-78.6	-48.5	-175.6	-72.1	-163.8	166.4	0	0	113.7	R357 K421	R357-E417 IonicContact CZ-OE1 3.5Å; R357-E417 IonicContact CZ-OE2 3.58Å; R357-E417 IonicContact NE-OE2 3.74Å; R357-E417 IonicContact NH1-OE1 2.91Å; R357-E417 PolarHBondContact NH1-OE1 2.82Å; R357-E417 IonicContact NH1-OE2 2.82Å; R357-E417 PolarHBondContact NH1-OE2 2.94Å; R357-E417 IonicContact NH2-OE1 3.9Å; R357-E417 IonicContact NH2-OE2 2.72Å; R357-E417 PolarHBondContact NH2-OE2 2.8Å; R357-E417 VanDerWaalsContact NH2-OE2 3.16Å; E417-K421 WeakPolarHBondContact O-CD 3.32Å; E417-K421 WeakPolarHBondContact O-CE 3.08Å; E417-K421 PolarHBondContact O-NZ 3.39Å
418	Q	89.4	Confident	93.8	Very high	35 Å²	35	31.8 Å²	31.8	16%	0.164	17%	0.174	C	C	.	.	S	Bend	trans	-125.3	-48.4	-169.8	-174.3	64.4	5.8	0	0	112.9	Y91 D414 R420 K421 I422	Y91-Q418 HydrophobicContact CD1-CB 4.49Å; Y91-Q418 HydrophobicContact CD1-CG 3.88Å; Y91-Q418 HydrophobicContact CE1-CB 3.93Å; Y91-Q418 HydrophobicContact CE1-CG 3.83Å; Y91-Q418 HydrophobicContact CG-CG 4.38Å; D414-Q418 WeakPolarHBondContact OD2-CA 3.15Å; D414-Q418 PolarHBondContact OD2-N 2.77Å; Q418-R420 VanDerWaalsContact C-N 3.29Å; Q418-R420 PolarHBondContact O-N 3.3Å; Q418-K421 WeakPolarHBondContact O-CA 3.39Å; Q418-K421 WeakPolarHBondContact O-CB 3.41Å; Q418-K421 PolarHBondContact O-N 2.86Å; Q418-I422 HydrophobicContact CG-CG2 4.16Å; Q418-I422 VanDerWaalsContact NE2-CG2 3.31Å; Q418-I422 PolarHBondContact O-N 3.22Å
419	I	92.7	Very high	93.9	Very high	44 Å²	44	32.3 Å²	32.3	23%	0.226	18%	0.176	C	C	.	.	H	α-helix	trans	-55.4	-47	-177	-63.6	171.5	0	0	0	110.2	I411 D414 K421 I422 L423	I411-I419 HydrophobicContact CD1-CG2 3.93Å; I411-I419 HydrophobicContact CG2-CG2 4.33Å; D414-I419 HydrophobicContact CB-CD1 3.95Å; D414-I419 HydrophobicContact CB-CG1 4.23Å; D414-I419 WeakPolarHBondContact OD2-CG1 3.36Å; D414-I419 PolarHBondContact OD2-N 2.9Å; I419-K421 VanDerWaalsContact C-N 3.26Å; I419-K421 PolarHBondContact O-N 2.89Å; I419-I422 VanDerWaalsContact O-CG1 3.27Å; I419-I422 WeakPolarHBondContact O-CG1 3.33Å; I419-I422 PolarHBondContact O-N 2.98Å; I419-L423 HydrophobicContact CG2-CD1 3.83Å; I419-L423 HydrophobicContact CG2-CG 4.4Å; I419-L423 WeakPolarHBondContact O-CB 3.35Å; I419-L423 VanDerWaalsContact O-CG 3.26Å; I419-L423 WeakPolarHBondContact O-CG 3.47Å; I419-L423 PolarHBondContact O-N 2.84Å; I419-L423 VanDerWaalsContact O-N 3.09Å
420	R	94.5	Very high	94	Very high	42 Å²	42	31.6 Å²	31.6	16%	0.158	17%	0.17	C	C	.	.	H	α-helix	trans	-55.8	-39.6	175	-177	-177.9	71.7	110.6	-15.2	113.1	G416 Q418 N424 L425 D427 Y430	G416-R420 PolarHBondContact O-NE 2.89Å; Q418-R420 VanDerWaalsContact C-N 3.29Å; Q418-R420 PolarHBondContact O-N 3.3Å; R420-N424 PolarHBondContact O-N 3.19Å; R420-L425 HydrophobicContact CG-CB 4.04Å; R420-L425 PolarHBondContact O-N 2.76Å; R420-D427 IonicContact CZ-OD2 2.77Å; R420-D427 IonicContact NH1-OD1 3.68Å; R420-D427 PolarHBondContact NH1-OD1 3.26Å; R420-D427 IonicContact NH1-OD2 2.67Å; R420-D427 PolarHBondContact NH1-OD2 2.77Å; R420-D427 IonicContact NH2-OD2 3.24Å; R420-Y430 HydrophobicContact CB-CD2 3.91Å; R420-Y430 HydrophobicContact CB-CE2 4.17Å; R420-Y430 HydrophobicContact CB-CG 4.41Å; R420-Y430 VanDerWaalsContact CD-CB 3.42Å; R420-Y430 VanDerWaalsContact CD-CD2 3.49Å; R420-Y430 HydrophobicContact CG-CD1 4.47Å; R420-Y430 HydrophobicContact CG-CD2 3.72Å; R420-Y430 HydrophobicContact CG-CE2 4.41Å; R420-Y430 HydrophobicContact CG-CG 3.77Å
421	K	94.7	Very high	94.1	Very high	111 Å²	111	35 Å²	35	48%	0.483	19%	0.188	S	C	.	.	H	α-helix	trans	-74.3	-45.8	-177.1	-64.7	179.7	-176	148.5	0	111.6	F121 E417 Q418 I419 L423 N424	F121-K421 WeakPolarHBondContact CE2-O 3.38Å; E417-K421 WeakPolarHBondContact O-CD 3.32Å; E417-K421 WeakPolarHBondContact O-CE 3.08Å; E417-K421 PolarHBondContact O-NZ 3.39Å; Q418-K421 WeakPolarHBondContact O-CA 3.39Å; Q418-K421 WeakPolarHBondContact O-CB 3.41Å; Q418-K421 PolarHBondContact O-N 2.86Å; I419-K421 VanDerWaalsContact C-N 3.26Å; I419-K421 PolarHBondContact O-N 2.89Å; K421-L423 PolarHBondContact O-N 2.86Å; K421-N424 WeakPolarHBondContact O-CA 3.49Å; K421-N424 PolarHBondContact O-N 2.93Å
422	I	94.5	Very high	94.2	Very high	14 Å²	14	36.8 Å²	36.8	7%	0.072	20%	0.199	C	C	.	.	H	α-helix	trans	-68.2	-26.3	-179.9	66.2	175.5	0	0	0	112.2	Q93 L94 F121 Q418 I419 N424	Q93-I422 HydrophobicContact CB-CB 4.44Å; Q93-I422 HydrophobicContact CB-CG2 4.08Å; L94-I422 HydrophobicContact CD1-CG2 4.19Å; F121-I422 VanDerWaalsContact CD2-O 3.28Å; F121-I422 WeakPolarHBondContact CD2-O 3.39Å; Q418-I422 HydrophobicContact CG-CG2 4.16Å; Q418-I422 VanDerWaalsContact NE2-CG2 3.31Å; Q418-I422 PolarHBondContact O-N 3.22Å; I419-I422 VanDerWaalsContact O-CG1 3.27Å; I419-I422 WeakPolarHBondContact O-CG1 3.33Å; I419-I422 PolarHBondContact O-N 2.98Å; I422-N424 VanDerWaalsContact C-N 3.27Å
423	L	96	Very high	94.3	Very high	16 Å²	16	36.7 Å²	36.7	8%	0.084	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	0.8	171.7	-61.3	-178.9	0	0	0	113.6	M115 I411 I419 K421 L425 F534 F536	M115-L423 WeakPolarHBondContact CG-O 3.26Å; I411-L423 HydrophobicContact CD1-CD1 3.45Å; I411-L423 VanDerWaalsContact CD1-CD1 3.45Å; I419-L423 HydrophobicContact CG2-CD1 3.83Å; I419-L423 HydrophobicContact CG2-CG 4.4Å; I419-L423 WeakPolarHBondContact O-CB 3.35Å; I419-L423 VanDerWaalsContact O-CG 3.26Å; I419-L423 WeakPolarHBondContact O-CG 3.47Å; I419-L423 PolarHBondContact O-N 2.84Å; I419-L423 VanDerWaalsContact O-N 3.09Å; K421-L423 PolarHBondContact O-N 2.86Å; L423-L425 HydrophobicContact CB-CD1 4.29Å; L423-L425 HydrophobicContact CB-CG 3.89Å; L423-L425 HydrophobicContact CD1-CD1 4.43Å; L423-L425 PolarHBondContact O-N 3.09Å; L423-L425 VanDerWaalsContact O-N 3.14Å; L423-F534 HydrophobicContact CD1-CE2 4.46Å; L423-F534 HydrophobicContact CD1-CZ 4Å; L423-F536 HydrophobicContact CD1-CE2 4.23Å; L423-F536 HydrophobicContact CD2-CD2 4.12Å; L423-F536 HydrophobicContact CD2-CE2 3.42Å; L423-F536 VanDerWaalsContact CD2-CE2 3.42Å; L423-F536 HydrophobicContact CD2-CZ 4.24Å; L423-F536 HydrophobicContact CG-CE2 4.48Å
424	N	97	Very high	94.5	Very high	15 Å²	15	36.3 Å²	36.3	8%	0.08	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	29	-178	-164	32.9	0	0	0	114.4	M115 K116 R119 F121 R420 K421 I422	M115-N424 CarbonylContact C-O 3.57Å; M115-N424 WeakPolarHBondContact CA-O 3.47Å; M115-N424 HydrophobicContact CB-CB 4.3Å; M115-N424 WeakPolarHBondContact CB-O 3.4Å; M115-N424 HydrophobicContact CG-CB 4.35Å; K116-N424 WeakPolarHBondContact CB-OD1 3.44Å; K116-N424 PolarHBondContact N-O 3.03Å; K116-N424 PolarHBondContact O-ND2 3.46Å; R119-N424 PolarHBondContact O-ND2 3.03Å; F121-N424 HydrophobicContact CD1-CB 3.67Å; F121-N424 HydrophobicContact CD2-CB 3.79Å; F121-N424 HydrophobicContact CE1-CB 3.53Å; F121-N424 WeakPolarHBondContact CE1-ND2 3.21Å; F121-N424 WeakPolarHBondContact CE1-OD1 3.27Å; F121-N424 HydrophobicContact CE2-CB 3.65Å; F121-N424 HydrophobicContact CG-CB 3.81Å; F121-N424 HydrophobicContact CZ-CB 3.54Å; F121-N424 WeakPolarHBondContact CZ-OD1 3.49Å; R420-N424 PolarHBondContact O-N 3.19Å; K421-N424 WeakPolarHBondContact O-CA 3.49Å; K421-N424 PolarHBondContact O-N 2.93Å; I422-N424 VanDerWaalsContact C-N 3.27Å
425	L	97.4	Very high	94.9	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.005	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-68.1	140.7	-174.9	-66.8	176.4	0	0	0	111.4	A114 M115 K116 I411 R420 L423 F429 F534	A114-L425 HydrophobicContact CB-CD2 4.3Å; M115-L425 HydrophobicContact CE-CD2 4.06Å; M115-L425 HydrophobicContact SD-CD2 4.45Å; K116-L425 VanDerWaalsContact CE-O 3.27Å; K116-L425 WeakPolarHBondContact CE-O 3.2Å; I411-L425 HydrophobicContact CG2-CD1 3.84Å; R420-L425 HydrophobicContact CG-CB 4.04Å; R420-L425 PolarHBondContact O-N 2.76Å; L423-L425 HydrophobicContact CB-CD1 4.29Å; L423-L425 HydrophobicContact CB-CG 3.89Å; L423-L425 HydrophobicContact CD1-CD1 4.43Å; L423-L425 PolarHBondContact O-N 3.09Å; L423-L425 VanDerWaalsContact O-N 3.14Å; L425-F429 HydrophobicContact CD1-CD1 4.5Å; L425-F429 HydrophobicContact CD2-CD1 4.03Å; L425-F429 HydrophobicContact CD2-CE1 4.03Å; L425-F534 HydrophobicContact CD1-CE1 4.24Å; L425-F534 HydrophobicContact CD1-CZ 3.91Å; L425-F534 HydrophobicContact CD2-CD2 4.2Å; L425-F534 HydrophobicContact CD2-CE1 4.24Å; L425-F534 HydrophobicContact CD2-CE2 3.76Å; L425-F534 HydrophobicContact CD2-CZ 3.79Å; L425-F534 HydrophobicContact CG-CZ 4.35Å
426	R	97.5	Very high	95.3	Very high	92 Å²	92	43.1 Å²	43.1	35%	0.347	22%	0.223	S	C	.	.			trans	-61.3	138.1	170.2	-69.2	169.7	-173.5	-78.3	1	109.8	Q113 A114 M115 K116 D118 G428 F429 Y430	Q113-R426 PolarHBondContact O-NE 2.93Å; Q113-R426 VanDerWaalsContact O-NE 3.16Å; A114-R426 WeakPolarHBondContact O-CB 3.43Å; A114-R426 VanDerWaalsContact O-CG 3.23Å; A114-R426 WeakPolarHBondContact O-CG 3.21Å; A114-R426 PolarHBondContact O-N 3.18Å; M115-R426 VanDerWaalsContact O-CZ 3.22Å; M115-R426 PolarHBondContact O-NE 3.14Å; M115-R426 PolarHBondContact O-NH2 3.09Å; K116-R426 HydrophobicContact CG-CG 4.23Å; D118-R426 IonicContact OD1-CZ 2.82Å; D118-R426 IonicContact OD1-NE 3.3Å; D118-R426 IonicContact OD1-NH2 3.11Å; D118-R426 PolarHBondContact OD1-NH2 2.97Å; R426-G428 VanDerWaalsContact C-N 3.31Å; R426-G428 PolarHBondContact O-N 3.24Å; R426-F429 HydrophobicContact CB-CB 4.08Å; R426-F429 WeakPolarHBondContact O-CB 3.42Å; R426-F429 PolarHBondContact O-N 3.1Å; R426-F429 VanDerWaalsContact O-N 3.1Å; R426-Y430 PolarHBondContact O-N 3.04Å
427	D	96.6	Very high	95.7	Very high	66 Å²	66	43.3 Å²	43.3	35%	0.353	22%	0.222	S	C	.	.	H	α-helix	trans	-57.5	-44.3	-179.9	-68.8	40.3	0	0	0	111.6	K116 R420 F429 Y430 N431	K116-D427 WeakPolarHBondContact CE-OD1 3.16Å; K116-D427 IonicContact NZ-OD1 3.46Å; K116-D427 PolarHBondContact NZ-OD1 3.46Å; R420-D427 IonicContact CZ-OD2 2.77Å; R420-D427 IonicContact NH1-OD1 3.68Å; R420-D427 PolarHBondContact NH1-OD1 3.26Å; R420-D427 IonicContact NH1-OD2 2.67Å; R420-D427 PolarHBondContact NH1-OD2 2.77Å; R420-D427 IonicContact NH2-OD2 3.24Å; D427-F429 VanDerWaalsContact C-N 3.35Å; D427-F429 PolarHBondContact O-N 3.27Å; D427-Y430 PolarHBondContact O-N 2.88Å; D427-N431 VanDerWaalsContact O-CB 3.24Å; D427-N431 WeakPolarHBondContact O-CB 3.43Å; D427-N431 PolarHBondContact O-N 2.91Å; D427-N431 PolarHBondContact O-ND2 3.15Å
428	G	96.8	Very high	95.9	Very high	46 Å²	46	43.6 Å²	43.6	47%	0.474	22%	0.224	S	C	.	.	H	α-helix	trans	-62.1	-38.2	176.1	0	0	0	0	0	113.7	R426 T432	R426-G428 VanDerWaalsContact C-N 3.31Å; R426-G428 PolarHBondContact O-N 3.24Å; G428-T432 VanDerWaalsContact O-CB 3.31Å; G428-T432 WeakPolarHBondContact O-CB 3.31Å; G428-T432 PolarHBondContact O-N 2.67Å; G428-T432 VanDerWaalsContact O-N 3.15Å; G428-T432 PolarHBondContact O-OG1 3.11Å
429	F	97.7	Very high	96	Very high	10 Å²	10	50 Å²	50	4%	0.044	25%	0.254	C	S	.	.	H	α-helix	trans	-65	-52.6	176.1	179.5	-94.1	0	0	0	110.8	A114 L425 R426 D427 N431 T432 V433 Y434 L513 P514 E533 F534	A114-F429 HydrophobicContact CB-CD1 3.98Å; A114-F429 HydrophobicContact CB-CD2 3.74Å; A114-F429 HydrophobicContact CB-CE1 3.92Å; A114-F429 HydrophobicContact CB-CE2 3.71Å; A114-F429 HydrophobicContact CB-CG 3.88Å; A114-F429 HydrophobicContact CB-CZ 3.8Å; L425-F429 HydrophobicContact CD1-CD1 4.5Å; L425-F429 HydrophobicContact CD2-CD1 4.03Å; L425-F429 HydrophobicContact CD2-CE1 4.03Å; R426-F429 HydrophobicContact CB-CB 4.08Å; R426-F429 WeakPolarHBondContact O-CB 3.42Å; R426-F429 PolarHBondContact O-N 3.1Å; R426-F429 VanDerWaalsContact O-N 3.1Å; D427-F429 VanDerWaalsContact C-N 3.35Å; D427-F429 PolarHBondContact O-N 3.27Å; F429-N431 PolarHBondContact O-N 2.94Å; F429-T432 PolarHBondContact O-N 3.33Å; F429-V433 HydrophobicContact CD2-CG2 4.37Å; F429-V433 HydrophobicContact CE2-CG2 4.21Å; F429-V433 HydrophobicContact CZ-CG2 4.35Å; F429-V433 WeakPolarHBondContact O-CG2 3.18Å; F429-V433 PolarHBondContact O-N 3.27Å; F429-Y434 HydrophobicContact CE1-CD2 4.46Å; F429-Y434 AromaticContact CE1-CE2 3.79Å; F429-Y434 HydrophobicContact CE1-CE2 3.79Å; F429-Y434 HydrophobicContact CZ-CE2 4.46Å; F429-L513 HydrophobicContact CE2-CB 4.34Å; F429-L513 HydrophobicContact CE2-CD1 4.23Å; F429-L513 HydrophobicContact CE2-CD2 3.95Å; F429-L513 HydrophobicContact CE2-CG 4.4Å; F429-L513 HydrophobicContact CZ-CD1 4.15Å; F429-L513 HydrophobicContact CZ-CD2 3.77Å; F429-L513 HydrophobicContact CZ-CG 4.49Å; F429-P514 HydrophobicContact CD2-CG 4.33Å; F429-E533 HydrophobicContact CE2-CG 4.11Å; F429-F534 AromaticContact CE1-CD1 3.72Å; F429-F534 HydrophobicContact CE1-CD1 3.72Å; F429-F534 HydrophobicContact CE1-CE1 4.08Å; F429-F534 HydrophobicContact CE1-CG 4.31Å; F429-F534 HydrophobicContact CZ-CB 4.12Å; F429-F534 AromaticContact CZ-CD1 3.77Å; F429-F534 HydrophobicContact CZ-CD1 3.77Å; F429-F534 HydrophobicContact CZ-CG 4.2Å
430	Y	97.8	Very high	96.1	Very high	7 Å²	7	49.7 Å²	49.7	3%	0.027	26%	0.255	C	S	.	.	H	α-helix	trans	-59.7	-46.4	178.1	175	-90.6	0	0	0	112.8	I411 G416 R420 R426 D427 T432 V433 Y434 K435	I411-Y430 HydrophobicContact CG2-CD2 4.02Å; I411-Y430 HydrophobicContact CG2-CE2 4.06Å; G416-Y430 VanDerWaalsContact CA-CZ 3.4Å; G416-Y430 WeakPolarHBondContact CA-OH 3.34Å; G416-Y430 PolarHBondContact N-OH 2.94Å; G416-Y430 VanDerWaalsContact N-OH 3.11Å; R420-Y430 HydrophobicContact CB-CD2 3.91Å; R420-Y430 HydrophobicContact CB-CE2 4.17Å; R420-Y430 HydrophobicContact CB-CG 4.41Å; R420-Y430 VanDerWaalsContact CD-CB 3.42Å; R420-Y430 VanDerWaalsContact CD-CD2 3.49Å; R420-Y430 HydrophobicContact CG-CD1 4.47Å; R420-Y430 HydrophobicContact CG-CD2 3.72Å; R420-Y430 HydrophobicContact CG-CE2 4.41Å; R420-Y430 HydrophobicContact CG-CG 3.77Å; R426-Y430 PolarHBondContact O-N 3.04Å; D427-Y430 PolarHBondContact O-N 2.88Å; Y430-T432 PolarHBondContact O-N 2.98Å; Y430-V433 PolarHBondContact O-N 3.31Å; Y430-Y434 HydrophobicContact CD2-CD2 4.29Å; Y430-Y434 HydrophobicContact CD2-CG 4.47Å; Y430-Y434 PolarHBondContact O-N 3.25Å; Y430-K435 HydrophobicContact CD1-CB 4.26Å; Y430-K435 HydrophobicContact CE1-CB 3.89Å; Y430-K435 HydrophobicContact CE1-CG 4.48Å; Y430-K435 PolarHBondContact O-N 3.09Å
431	N	97.6	Very high	96.2	Very high	76 Å²	76	49.1 Å²	49.1	41%	0.406	25%	0.254	S	S	.	.	H	α-helix	trans	-62.3	-30	-178.6	-73.4	-18.9	0	0	0	112.4	D427 F429 K435	D427-N431 VanDerWaalsContact O-CB 3.24Å; D427-N431 WeakPolarHBondContact O-CB 3.43Å; D427-N431 PolarHBondContact O-N 2.91Å; D427-N431 PolarHBondContact O-ND2 3.15Å; F429-N431 PolarHBondContact O-N 2.94Å; N431-K435 HydrophobicContact CB-CD 4.46Å
432	T	97.5	Very high	96.3	Very high	51 Å²	51	43.9 Å²	43.9	31%	0.313	23%	0.231	S	C	.	.	H	α-helix	trans	-81.9	-43.5	179.1	-58.3	0	0	0	0	112	G428 F429 Y430 P514	G428-T432 VanDerWaalsContact O-CB 3.31Å; G428-T432 WeakPolarHBondContact O-CB 3.31Å; G428-T432 PolarHBondContact O-N 2.67Å; G428-T432 VanDerWaalsContact O-N 3.15Å; G428-T432 PolarHBondContact O-OG1 3.11Å; F429-T432 PolarHBondContact O-N 3.33Å; Y430-T432 PolarHBondContact O-N 2.98Å; T432-P514 HydrophobicContact CG2-CG 3.99Å
433	V	97.9	Very high	96.5	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-95.2	-45.8	-168.2	-177.6	0	0	0	0	112.3	F429 Y430 H509 L513 P514	F429-V433 HydrophobicContact CD2-CG2 4.37Å; F429-V433 HydrophobicContact CE2-CG2 4.21Å; F429-V433 HydrophobicContact CZ-CG2 4.35Å; F429-V433 WeakPolarHBondContact O-CG2 3.18Å; F429-V433 PolarHBondContact O-N 3.27Å; Y430-V433 PolarHBondContact O-N 3.31Å; V433-H509 PolarHBondContact O-CE1 3.11Å; V433-H509 PolarHBondContact O-NE2 3.48Å; V433-L513 HydrophobicContact CB-CD2 4.48Å; V433-L513 HydrophobicContact CG1-CD2 3.74Å; V433-L513 HydrophobicContact CG2-CD2 3.88Å; V433-P514 HydrophobicContact CG2-CG 4.32Å
434	Y	97.7	Very high	96.6	Very high	4 Å²	4	42.9 Å²	42.9	2%	0.016	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.7	-27.6	-167.3	-63.3	-68.8	0	0	0	114.5	G344 I411 N412 F429 Y430 P436 L437 F534	G344-Y434 WeakPolarHBondContact CA-OH 3.34Å; G344-Y434 PolarHBondContact O-OH 2.72Å; I411-Y434 HydrophobicContact CB-CD1 3.73Å; I411-Y434 HydrophobicContact CB-CD2 3.99Å; I411-Y434 HydrophobicContact CB-CE1 3.96Å; I411-Y434 HydrophobicContact CB-CE2 4.2Å; I411-Y434 HydrophobicContact CB-CG 3.75Å; I411-Y434 HydrophobicContact CG1-CD1 4.19Å; I411-Y434 HydrophobicContact CG1-CD2 4.42Å; I411-Y434 HydrophobicContact CG1-CE1 3.88Å; I411-Y434 HydrophobicContact CG1-CE2 4.12Å; I411-Y434 HydrophobicContact CG1-CG 4.46Å; I411-Y434 HydrophobicContact CG2-CD1 4.33Å; I411-Y434 HydrophobicContact CG2-CD2 3.71Å; I411-Y434 HydrophobicContact CG2-CE2 4.13Å; I411-Y434 HydrophobicContact CG2-CG 3.83Å; N412-Y434 WeakPolarHBondContact CB-O 3.21Å; F429-Y434 HydrophobicContact CE1-CD2 4.46Å; F429-Y434 AromaticContact CE1-CE2 3.79Å; F429-Y434 HydrophobicContact CE1-CE2 3.79Å; F429-Y434 HydrophobicContact CZ-CE2 4.46Å; Y430-Y434 HydrophobicContact CD2-CD2 4.29Å; Y430-Y434 HydrophobicContact CD2-CG 4.47Å; Y430-Y434 PolarHBondContact O-N 3.25Å; Y434-P436 VanDerWaalsContact C-CD 3.42Å; Y434-P436 VanDerWaalsContact C-N 3.32Å; Y434-L437 HydrophobicContact CD1-CD1 4.46Å; Y434-L437 WeakPolarHBondContact O-CB 3.39Å; Y434-L437 PolarHBondContact O-N 2.86Å; Y434-F534 HydrophobicContact CE2-CD1 4.25Å; Y434-F534 AromaticContact CE2-CE1 3.75Å; Y434-F534 HydrophobicContact CE2-CE1 3.75Å; Y434-F534 AromaticContact CZ-CE1 3.86Å; Y434-F534 WeakPolarHBondContact OH-CD1 3.12Å; Y434-F534 VanDerWaalsContact OH-CE1 3.31Å; Y434-F534 WeakPolarHBondContact OH-CE1 3.43Å
435	K	96.6	Very high	96.6	Very high	105 Å²	105	42.1 Å²	42.1	46%	0.457	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-57.9	-36.9	175.7	-172.7	177.6	-179.2	-178.7	0	113.6	Y430 N431 L437 Q438	Y430-K435 HydrophobicContact CD1-CB 4.26Å; Y430-K435 HydrophobicContact CE1-CB 3.89Å; Y430-K435 HydrophobicContact CE1-CG 4.48Å; Y430-K435 PolarHBondContact O-N 3.09Å; N431-K435 HydrophobicContact CB-CD 4.46Å; K435-L437 PolarHBondContact O-N 3.34Å; K435-L437 VanDerWaalsContact O-N 3.11Å; K435-Q438 VanDerWaalsContact O-CB 3.28Å; K435-Q438 WeakPolarHBondContact O-CB 3.33Å; K435-Q438 PolarHBondContact O-N 2.71Å
436	P	97	Very high	96.7	Very high	79 Å²	79	43 Å²	43	51%	0.513	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-59.2	-21.4	174.1	-26.7	37.6	0	0	0	114.2	Y434 I511	Y434-P436 VanDerWaalsContact C-CD 3.42Å; Y434-P436 VanDerWaalsContact C-N 3.32Å; P436-I511 HydrophobicContact CB-CD1 3.84Å; P436-I511 HydrophobicContact CG-CD1 3.78Å
437	L	96	Very high	96.7	Very high	12 Å²	12	38.6 Å²	38.6	6%	0.063	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-91.5	7.7	178.1	-57.4	178.6	0	0	0	113.8	T346 V348 N412 Y434 K435 H439 S440 T442 H509	T346-L437 HydrophobicContact CG2-CD1 3.95Å; V348-L437 HydrophobicContact CG2-CD2 3.9Å; N412-L437 HydrophobicContact CB-CB 3.81Å; N412-L437 PolarHBondContact ND2-O 3.01Å; Y434-L437 HydrophobicContact CD1-CD1 4.46Å; Y434-L437 WeakPolarHBondContact O-CB 3.39Å; Y434-L437 PolarHBondContact O-N 2.86Å; K435-L437 PolarHBondContact O-N 3.34Å; K435-L437 VanDerWaalsContact O-N 3.11Å; L437-H439 PolarHBondContact O-N 3.26Å; L437-S440 WeakPolarHBondContact O-CB 3.28Å; L437-S440 PolarHBondContact O-N 2.9Å; L437-T442 HydrophobicContact CB-CG2 4.49Å; L437-T442 HydrophobicContact CD1-CG2 4.17Å; L437-H509 VanDerWaalsContact CD1-CD2 3.5Å; L437-H509 WeakPolarHBondContact CD1-CD2 3.42Å
438	Q	92.1	Very high	96.8	Very high	89 Å²	89	35.5 Å²	35.5	42%	0.416	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-30.1	-173.4	179	174.4	0.8	0	0	113.9	K435	K435-Q438 VanDerWaalsContact O-CB 3.28Å; K435-Q438 WeakPolarHBondContact O-CB 3.33Å; K435-Q438 PolarHBondContact O-N 2.71Å
439	H	89.6	Confident	96.8	Very high	171 Å²	171	33.4 Å²	33.4	79%	0.792	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.6	8.9	178.8	-57.9	-55.5	0	0	0	113.5	L437	L437-H439 PolarHBondContact O-N 3.26Å
440	S	94.9	Very high	96.9	Very high	36 Å²	36	33 Å²	33	25%	0.252	17%	0.17	S	C	.	.	S	Bend	trans	-91.8	148	179.5	-56.2	0	0	0	0	111.3	L437	L437-S440 WeakPolarHBondContact O-CB 3.28Å; L437-S440 PolarHBondContact O-N 2.9Å
441	E	96.6	Very high	96.8	Very high	31 Å²	31	35.6 Å²	35.6	15%	0.145	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	122.6	168.9	-62.8	-74.4	146.4	0	0	108.3	V348 V349 A351 L353 T354 R359	V348-E441 WeakPolarHBondContact CA-O 3.45Å; V349-E441 HydrophobicContact CG2-CB 3.71Å; V349-E441 PolarHBondContact N-O 2.97Å; A351-E441 WeakPolarHBondContact O-CB 3.43Å; A351-E441 WeakPolarHBondContact O-CG 3.13Å; L353-E441 PolarHBondContact N-OE2 2.76Å; T354-E441 WeakPolarHBondContact CB-OE2 3.38Å; T354-E441 HydrophobicContact CG2-CB 3.95Å; T354-E441 PolarHBondContact N-OE2 3.28Å; T354-E441 PolarHBondContact OG1-OE2 3.16Å; R359-E441 IonicContact CZ-OE1 3.92Å; R359-E441 IonicContact CZ-OE2 3.99Å; R359-E441 IonicContact NH1-OE1 3.5Å; R359-E441 PolarHBondContact NH1-OE1 3.08Å; R359-E441 IonicContact NH1-OE2 3.36Å; R359-E441 PolarHBondContact NH1-OE2 3.21Å; R359-E441 IonicContact NH2-OE1 3.62Å; R359-E441 PolarHBondContact NH2-OE1 3.38Å; R359-E441 IonicContact NH2-OE2 2.66Å; R359-E441 PolarHBondContact NH2-OE2 3Å
442	T	97.9	Very high	96.8	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	142.6	-172.3	54.4	0	0	0	0	112.7	T346 F347 V348 T354 P408 S409 N412 S413 L437	T346-T442 HydrophobicContact CG2-CG2 3.88Å; F347-T442 CarbonylContact O-C 3.57Å; F347-T442 WeakPolarHBondContact O-CA 3.49Å; F347-T442 WeakPolarHBondContact O-CB 3.28Å; V348-T442 HydrophobicContact CG2-CG2 4.24Å; T354-T442 WeakPolarHBondContact CB-O 3.48Å; T354-T442 WeakPolarHBondContact CG2-O 3.34Å; P408-T442 CarbonylContact C-O 3.57Å; S409-T442 CarbonylContact C-O 3.58Å; S409-T442 VanDerWaalsContact CA-O 3.27Å; S409-T442 WeakPolarHBondContact CA-O 3.47Å; S409-T442 PolarHBondContact N-O 3.1Å; N412-T442 WeakPolarHBondContact ND2-CG2 3.27Å; N412-T442 PolarHBondContact ND2-OG1 3.08Å; N412-T442 VanDerWaalsContact ND2-OG1 3.09Å; N412-T442 PolarHBondContact OD1-OG1 2.86Å; N412-T442 VanDerWaalsContact OD1-OG1 3.06Å; S413-T442 PolarHBondContact OG-OG1 3.24Å; L437-T442 HydrophobicContact CB-CG2 4.49Å; L437-T442 HydrophobicContact CD1-CG2 4.17Å
443	W	97.8	Very high	96.8	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	166	165.6	65.3	-88.9	0	0	0	110	L201 F347 V349 F406 C407 I445 V495 F501 S506	L201-W443 HydrophobicContact CD1-CB 4.03Å; L201-W443 HydrophobicContact CD1-CG 4.38Å; F347-W443 HydrophobicContact CB-CD2 3.79Å; F347-W443 HydrophobicContact CB-CE3 4.36Å; F347-W443 HydrophobicContact CB-CG 4.22Å; F347-W443 HydrophobicContact CB-CH2 4.17Å; F347-W443 HydrophobicContact CB-CZ2 3.57Å; F347-W443 HydrophobicContact CB-CZ3 4.49Å; F347-W443 HydrophobicContact CD1-CH2 4.04Å; F347-W443 AromaticContact CD1-CZ2 3.91Å; F347-W443 HydrophobicContact CD1-CZ2 3.91Å; F347-W443 AromaticContact CD2-CD2 3.99Å; F347-W443 HydrophobicContact CD2-CD2 3.99Å; F347-W443 AromaticContact CD2-CE2 3.97Å; F347-W443 AromaticContact CD2-CE3 3.67Å; F347-W443 HydrophobicContact CD2-CE3 3.67Å; F347-W443 AromaticContact CD2-CH2 3.35Å; F347-W443 HydrophobicContact CD2-CH2 3.35Å; F347-W443 AromaticContact CD2-CZ2 3.7Å; F347-W443 HydrophobicContact CD2-CZ2 3.7Å; F347-W443 AromaticContact CD2-CZ3 3.3Å; F347-W443 HydrophobicContact CD2-CZ3 3.3Å; F347-W443 HydrophobicContact CE1-CH2 4.28Å; F347-W443 HydrophobicContact CE2-CE3 4.34Å; F347-W443 AromaticContact CE2-CH2 3.62Å; F347-W443 HydrophobicContact CE2-CH2 3.62Å; F347-W443 HydrophobicContact CE2-CZ2 4.35Å; F347-W443 AromaticContact CE2-CZ3 3.59Å; F347-W443 HydrophobicContact CE2-CZ3 3.59Å; F347-W443 HydrophobicContact CG-CD2 4.16Å; F347-W443 AromaticContact CG-CE2 3.71Å; F347-W443 HydrophobicContact CG-CE3 4.27Å; F347-W443 AromaticContact CG-CH2 3.58Å; F347-W443 HydrophobicContact CG-CH2 3.58Å; F347-W443 AromaticContact CG-CZ2 3.44Å; F347-W443 HydrophobicContact CG-CZ2 3.44Å; F347-W443 VanDerWaalsContact CG-CZ2 3.44Å; F347-W443 AromaticContact CG-CZ3 3.97Å; F347-W443 HydrophobicContact CG-CZ3 3.97Å; F347-W443 HydrophobicContact CZ-CH2 4.08Å; F347-W443 HydrophobicContact CZ-CZ3 4.45Å; F347-W443 PolarHBondContact N-O 3.31Å; F347-W443 PolarHBondContact O-N 3.45Å; V349-W443 VanDerWaalsContact CG1-CD1 3.49Å; F406-W443 AromaticContact CD2-CE3 3.9Å; F406-W443 HydrophobicContact CD2-CE3 3.9Å; F406-W443 HydrophobicContact CD2-CZ3 4.29Å; F406-W443 HydrophobicContact CE2-CB 4.14Å; F406-W443 AromaticContact CE2-CD2 3.9Å; F406-W443 HydrophobicContact CE2-CD2 3.9Å; F406-W443 AromaticContact CE2-CE3 3.51Å; F406-W443 HydrophobicContact CE2-CE3 3.51Å; F406-W443 HydrophobicContact CE2-CG 4.21Å; F406-W443 HydrophobicContact CE2-CZ3 4.22Å; F406-W443 HydrophobicContact CZ-CB 4.38Å; C407-W443 CarbonylContact O-C 3.49Å; C407-W443 WeakPolarHBondContact O-CA 3.5Å; C407-W443 WeakPolarHBondContact O-CB 3.4Å; W443-I445 HydrophobicContact CE3-CG1 4.32Å; W443-I445 HydrophobicContact CH2-CD1 4.11Å; W443-I445 HydrophobicContact CZ3-CB 4.32Å; W443-I445 HydrophobicContact CZ3-CD1 3.55Å; W443-I445 HydrophobicContact CZ3-CG1 3.65Å; W443-V495 HydrophobicContact CH2-CG1 4.36Å; W443-F501 HydrophobicContact CD2-CD1 4.42Å; W443-F501 AromaticContact CD2-CE1 3.8Å; W443-F501 HydrophobicContact CD2-CE1 3.8Å; W443-F501 HydrophobicContact CD2-CZ 4.48Å; W443-F501 AromaticContact CE2-CD1 3.56Å; W443-F501 AromaticContact CE2-CE1 3.39Å; W443-F501 HydrophobicContact CE3-CE1 4.35Å; W443-F501 HydrophobicContact CG-CE1 4.24Å; W443-F501 HydrophobicContact CH2-CD1 4.44Å; W443-F501 HydrophobicContact CH2-CE1 4.21Å; W443-F501 HydrophobicContact CH2-CZ 4.37Å; W443-F501 AromaticContact CZ2-CD1 3.56Å; W443-F501 HydrophobicContact CZ2-CD1 3.56Å; W443-F501 AromaticContact CZ2-CE1 3.61Å; W443-F501 HydrophobicContact CZ2-CE1 3.61Å; W443-F501 HydrophobicContact CZ2-CG 4.13Å; W443-F501 HydrophobicContact CZ2-CZ 4.2Å; W443-F501 AromaticContact NE1-CD1 3.6Å; W443-F501 AromaticContact NE1-CE1 3.66Å; W443-S506 VanDerWaalsContact CZ2-OG 3.26Å; W443-S506 WeakPolarHBondContact CZ2-OG 3.33Å; W443-S506 PolarHBondContact NE1-OG 3.27Å
444	S	98.3	Very high	96.8	Very high	9 Å²	9	36.3 Å²	36.3	6%	0.063	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	151.9	177.1	58.4	0	0	0	0	111.7	L345 C407 S409	L345-S444 WeakPolarHBondContact O-CA 3.47Å; L345-S444 WeakPolarHBondContact O-CB 3.48Å; C407-S444 PolarHBondContact N-O 3.22Å; C407-S444 PolarHBondContact O-N 3.01Å; S409-S444 WeakPolarHBondContact O-CB 3.4Å; S409-S444 PolarHBondContact O-N 2.66Å; S409-S444 PolarHBondContact O-OG 3.12Å
445	I	98.4	Very high	96.8	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	130.5	162.1	-82.3	164.5	0	0	0	106.4	F205 L345 F404 H405 F406 W443 P447 A492 V495	F205-I445 HydrophobicContact CE2-CD1 4.07Å; F205-I445 HydrophobicContact CE2-CG1 4.42Å; L345-I445 PolarHBondContact O-N 3.24Å; F404-I445 HydrophobicContact CB-CG2 3.85Å; F404-I445 HydrophobicContact CD1-CG2 3.6Å; F404-I445 HydrophobicContact CD2-CD1 4.01Å; F404-I445 HydrophobicContact CD2-CG2 3.87Å; F404-I445 HydrophobicContact CE1-CG2 4.04Å; F404-I445 HydrophobicContact CE2-CD1 4.3Å; F404-I445 HydrophobicContact CE2-CG2 4.28Å; F404-I445 HydrophobicContact CG-CG2 3.5Å; F404-I445 HydrophobicContact CZ-CG2 4.35Å; H405-I445 WeakPolarHBondContact O-CA 3.28Å; F406-I445 HydrophobicContact CB-CG1 4.45Å; F406-I445 HydrophobicContact CD2-CG1 4.13Å; W443-I445 HydrophobicContact CE3-CG1 4.32Å; W443-I445 HydrophobicContact CH2-CD1 4.11Å; W443-I445 HydrophobicContact CZ3-CB 4.32Å; W443-I445 HydrophobicContact CZ3-CD1 3.55Å; W443-I445 HydrophobicContact CZ3-CG1 3.65Å; I445-P447 WeakPolarHBondContact O-CD 3.18Å; I445-A492 HydrophobicContact CB-CB 4.08Å; I445-A492 HydrophobicContact CD1-CB 4.14Å; I445-A492 HydrophobicContact CG2-CB 3.68Å; I445-V495 HydrophobicContact CD1-CB 4.01Å; I445-V495 HydrophobicContact CD1-CG1 3.88Å; I445-V495 HydrophobicContact CD1-CG2 4.24Å
446	L	97.6	Very high	96.9	Very high	19 Å²	19	33.7 Å²	33.7	10%	0.099	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	106.3	164.6	-57	173.5	0	0	0	107.6	F404 H405 L448 F536	F404-L446 WeakPolarHBondContact CA-O 3.32Å; H405-L446 HydrophobicContact CB-CB 4.23Å; H405-L446 HydrophobicContact CB-CD1 4.3Å; H405-L446 PolarHBondContact N-O 2.72Å; H405-L446 VanDerWaalsContact N-O 3.14Å; H405-L446 PolarHBondContact O-N 3.42Å; L446-L448 HydrophobicContact CB-CD2 4.25Å; L446-L448 HydrophobicContact CB-CG 4.32Å; L446-F536 HydrophobicContact CD1-CD1 4.26Å; L446-F536 HydrophobicContact CD1-CE1 3.6Å; L446-F536 HydrophobicContact CD1-CZ 3.95Å; L446-F536 HydrophobicContact CD2-CD1 4.27Å; L446-F536 HydrophobicContact CD2-CE1 4.24Å; L446-F536 HydrophobicContact CD2-CG 4.48Å; L446-F536 HydrophobicContact CD2-CZ 4.39Å
447	P	98.1	Very high	97	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	119.9	169.9	31.5	-32.2	0	0	0	109	G341 L342 L345 F404 I445 L485 I489	G341-P447 WeakPolarHBondContact CA-O 3.19Å; L342-P447 HydrophobicContact CB-CG 4.24Å; L345-P447 HydrophobicContact CD2-CG 4.27Å; F404-P447 HydrophobicContact CD1-CB 4.21Å; F404-P447 HydrophobicContact CE1-CB 3.9Å; I445-P447 WeakPolarHBondContact O-CD 3.18Å; P447-L485 WeakPolarHBondContact O-CD2 3.25Å; P447-I489 HydrophobicContact CG-CG1 3.83Å
448	L	98.4	Very high	97.1	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	128	-170.7	-58.3	159.2	0	0	0	109.8	V402 Q403 H405 L446 L450 I538	V402-L448 WeakPolarHBondContact CA-O 3.32Å; Q403-L448 HydrophobicContact CB-CB 4.28Å; Q403-L448 HydrophobicContact CB-CD1 4.4Å; Q403-L448 HydrophobicContact CG-CD1 4.22Å; Q403-L448 PolarHBondContact N-O 3.17Å; Q403-L448 WeakPolarHBondContact O-CB 3.44Å; Q403-L448 PolarHBondContact O-N 3.34Å; H405-L448 HydrophobicContact CB-CD1 4.4Å; L446-L448 HydrophobicContact CB-CD2 4.25Å; L446-L448 HydrophobicContact CB-CG 4.32Å; L448-L450 PolarHBondContact O-N 3.23Å; L448-I538 HydrophobicContact CB-CD1 4.47Å; L448-I538 HydrophobicContact CD1-CD1 3.59Å; L448-I538 HydrophobicContact CD1-CG2 4.08Å; L448-I538 HydrophobicContact CD2-CB 4.38Å; L448-I538 HydrophobicContact CD2-CD1 3.89Å; L448-I538 HydrophobicContact CD2-CG1 4.16Å; L448-I538 HydrophobicContact CD2-CG2 3.41Å; L448-I538 VanDerWaalsContact CD2-CG2 3.41Å; L448-I538 HydrophobicContact CG-CD1 4.14Å; L448-I538 HydrophobicContact CG-CG2 4.34Å
449	L	98.5	Very high	97.4	Very high	3 Å²	3	31.8 Å²	31.8	2%	0.016	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	118.1	172.3	-179.4	64.2	0	0	0	109.4	H339 V340 P452 D481 V484 L485	H339-L449 PolarHBondContact CD2-O 2.76Å; V340-L449 HydrophobicContact CG1-CD2 4.34Å; V340-L449 VanDerWaalsContact O-CB 3.29Å; V340-L449 WeakPolarHBondContact O-CB 3.41Å; V340-L449 PolarHBondContact O-N 2.95Å; L449-P452 HydrophobicContact CD2-CB 3.94Å; L449-P452 HydrophobicContact CG-CB 4.43Å; L449-D481 HydrophobicContact CD2-CB 3.47Å; L449-D481 VanDerWaalsContact CD2-CB 3.47Å; L449-V484 HydrophobicContact CD1-CB 3.89Å; L449-V484 HydrophobicContact CD1-CG1 3.59Å; L449-L485 HydrophobicContact CB-CD1 4.33Å; L449-L485 HydrophobicContact CB-CD2 3.9Å; L449-L485 HydrophobicContact CB-CG 4.02Å
450	L	98.2	Very high	97.8	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	11%	0.113	C	C	.	.	S	Bend	trans	-91.6	-22.1	-176.2	-68	176.5	0	0	0	114.4	H339 F387 D401 Q403 L448 N582	H339-L450 PolarHBondContact NE2-O 2.91Å; H339-L450 VanDerWaalsContact NE2-O 3.09Å; F387-L450 HydrophobicContact CD1-CD1 3.65Å; F387-L450 HydrophobicContact CE1-CD1 3.9Å; F387-L450 HydrophobicContact CE1-CD2 4.45Å; D401-L450 PolarHBondContact O-N 3.17Å; Q403-L450 HydrophobicContact CB-CD1 3.85Å; Q403-L450 HydrophobicContact CB-CD2 3.55Å; Q403-L450 HydrophobicContact CB-CG 3.82Å; L448-L450 PolarHBondContact O-N 3.23Å; L450-N582 HydrophobicContact CB-CB 4.41Å; L450-N582 WeakPolarHBondContact CB-OD1 3.39Å; L450-N582 HydrophobicContact CD1-CB 4.18Å; L450-N582 WeakPolarHBondContact CD1-OD1 3.24Å
451	R	96.8	Very high	97.9	Very high	63 Å²	63	26 Å²	26	24%	0.238	12%	0.122	C	C	.	.	S	Bend	trans	-129.3	68.6	-179.9	-63.7	-171.2	-57	-129.2	-0.6	111.1	W399 K453 N582	W399-R451 PolarHBondContact O-NH1 3.19Å; R451-K453 PolarHBondContact O-N 3.01Å; R451-N582 WeakPolarHBondContact CD-ND2 3.49Å; R451-N582 VanDerWaalsContact CG-ND2 3.32Å; R451-N582 WeakPolarHBondContact CG-ND2 3.25Å
452	P	97.6	Very high	98	Very high	15 Å²	15	25.9 Å²	25.9	10%	0.097	12%	0.124	C	C	.	.			trans	-60.6	134.8	178.7	27.9	-36.2	0	0	0	111	L449 I580	L449-P452 HydrophobicContact CD2-CB 3.94Å; L449-P452 HydrophobicContact CG-CB 4.43Å; P452-I580 HydrophobicContact CG-CG2 4.1Å
453	K	97.9	Very high	98	Very high	119 Å²	119	31.7 Å²	31.7	52%	0.517	15%	0.146	S	C	.	.	S	Bend	trans	-81.8	-34.1	167.6	-60.1	-60.8	-174.1	177.2	0	110.9	R451 T455 H478 D481	R451-K453 PolarHBondContact O-N 3.01Å; K453-T455 PolarHBondContact O-N 3Å; K453-H478 HydrophobicContact CB-CB 3.8Å; K453-D481 PolarHBondContact N-OD1 2.84Å
454	S	97.8	Very high	97.9	Very high	8 Å²	8	34.9 Å²	34.9	6%	0.056	16%	0.163	C	C	.	.			trans	-66.5	126.7	176.1	-55.4	0	0	0	0	111.5	N474 F476 A477 H478 D481	S454-N474 WeakPolarHBondContact CB-O 3.15Å; S454-F476 PolarHBondContact OG-N 3.29Å; S454-A477 PolarHBondContact OG-N 3.31Å; S454-H478 PolarHBondContact OG-N 2.79Å; S454-D481 WeakPolarHBondContact CB-OD2 3.46Å; S454-D481 PolarHBondContact N-OD2 3.12Å; S454-D481 PolarHBondContact OG-OD2 2.86Å
455	T	97.9	Very high	97.8	Very high	52 Å²	52	35.8 Å²	35.8	32%	0.319	17%	0.169	S	C	.	.			trans	-122.6	143.1	172.8	62.7	0	0	0	0	110.6	Q337 K453 N474	Q337-T455 HydrophobicContact CG-CG2 3.76Å; K453-T455 PolarHBondContact O-N 3Å; T455-N474 WeakPolarHBondContact O-CB 3.48Å; T455-N474 PolarHBondContact O-ND2 2.62Å
456	G	98	Very high	97.7	Very high	2 Å²	2	40.5 Å²	40.5	2%	0.021	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-112.2	-162.9	-179.8	0	0	0	0	0	112.9	N335 M336 I472 P473	N335-G456 PolarHBondContact N-O 3.45Å; M336-G456 VanDerWaalsContact CB-C 3.45Å; M336-G456 WeakPolarHBondContact CB-O 3.34Å; M336-G456 PolarHBondContact N-O 3.38Å; M336-G456 PolarHBondContact O-N 2.82Å; G456-I472 CarbonylContact C-O 3.47Å; G456-I472 WeakPolarHBondContact CA-O 3.37Å; G456-P473 WeakPolarHBondContact CA-O 3.46Å; G456-P473 PolarHBondContact N-O 3.42Å
457	W	98.3	Very high	97.7	Very high	92 Å²	92	43.8 Å²	43.8	35%	0.348	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	157	179.5	53.2	94.3	0	0	0	114.2	G333 I472 N474	G333-W457 CarbonylContact O-C 2.96Å; G333-W457 WeakPolarHBondContact O-CA 3.39Å; G333-W457 WeakPolarHBondContact O-CB 3.41Å; W457-I472 HydrophobicContact CD2-CB 4.17Å; W457-I472 HydrophobicContact CD2-CG2 4.33Å; W457-I472 HydrophobicContact CG-CB 4.34Å; W457-I472 HydrophobicContact CH2-CG2 4.04Å; W457-I472 HydrophobicContact CZ2-CB 4.19Å; W457-I472 HydrophobicContact CZ2-CG2 3.6Å; W457-I472 PolarHBondContact N-O 2.8Å; W457-I472 PolarHBondContact O-N 3.49Å; W457-N474 HydrophobicContact CH2-CB 4.31Å; W457-N474 HydrophobicContact CZ3-CB 3.9Å
458	V	98.7	Very high	97.6	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	132.9	172.7	-177.2	0	0	0	0	108.9	L302 P305 G333 M336 P469 K470 T544	L302-V458 HydrophobicContact CD2-CG2 3.84Å; P305-V458 HydrophobicContact CG-CB 4.3Å; P305-V458 HydrophobicContact CG-CG1 4.23Å; G333-V458 PolarHBondContact O-N 2.97Å; M336-V458 HydrophobicContact CG-CG2 4.37Å; M336-V458 HydrophobicContact SD-CG2 3.5Å; M336-V458 WeakPolarHBondContact SD-CG2 3.29Å; V458-P469 HydrophobicContact CG1-CB 3.72Å; V458-P469 HydrophobicContact CG1-CG 4.2Å; V458-K470 WeakPolarHBondContact CA-O 3.34Å; V458-T544 HydrophobicContact CG2-CG2 3.81Å
459	R	98.6	Very high	97.6	Very high	48 Å²	48	47.9 Å²	47.9	18%	0.181	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	156.4	176.6	-64.5	-67.3	-178.3	-94.9	-1.6	111	N334 P469 K470	N334-R459 VanDerWaalsContact OD1-CZ 3.25Å; N334-R459 PolarHBondContact OD1-NH1 2.92Å; N334-R459 PolarHBondContact OD1-NH2 3.21Å; R459-P469 CarbonylContact O-C 3.53Å; R459-P469 VanDerWaalsContact O-CA 3.32Å; R459-P469 WeakPolarHBondContact O-CA 3.35Å; R459-P469 VanDerWaalsContact O-CB 3.29Å; R459-P469 WeakPolarHBondContact O-CB 3.48Å; R459-K470 HydrophobicContact CB-CB 4.35Å; R459-K470 PolarHBondContact N-O 2.88Å; R459-K470 PolarHBondContact O-N 2.8Å
460	L	98.7	Very high	97.5	Very high	4 Å²	4	52.4 Å²	52.4	2%	0.021	25%	0.245	C	C	.	.			trans	-65.2	140.3	167.2	-57.4	179.5	0	0	0	109.6	K306 M309 L310 H318 H322 I324	K306-L460 HydrophobicContact CB-CD2 4.3Å; K306-L460 HydrophobicContact CG-CD2 3.7Å; M309-L460 HydrophobicContact CB-CD1 3.8Å; M309-L460 HydrophobicContact CB-CD2 4.03Å; M309-L460 HydrophobicContact CB-CG 3.87Å; M309-L460 HydrophobicContact CE-CD2 4.08Å; M309-L460 HydrophobicContact CE-CG 4.13Å; M309-L460 HydrophobicContact SD-CG 4.1Å; L310-L460 HydrophobicContact CD2-CD1 3.93Å; L310-L460 HydrophobicContact CD2-CD2 4.19Å; L310-L460 HydrophobicContact CG-CD1 4.23Å; L310-L460 HydrophobicContact CG-CD2 3.89Å; H318-L460 WeakPolarHBondContact NE2-CB 3.4Å; H318-L460 PolarHBondContact NE2-N 3.26Å; H318-L460 VanDerWaalsContact NE2-N 3.19Å; H322-L460 PolarHBondContact NE2-O 2.92Å; I324-L460 HydrophobicContact CD1-CD1 3.46Å; I324-L460 VanDerWaalsContact CD1-CD1 3.46Å
461	N	96.9	Very high	97.6	Very high	82 Å²	82	52.4 Å²	52.4	44%	0.439	25%	0.245	S	C	.	.	S	Bend	trans	-84.6	-29.9	166.9	-168.8	42	0	0	0	111.1	Q468 K470	N461-Q468 WeakPolarHBondContact CB-O 3.11Å; N461-K470 HydrophobicContact CB-CG 4.19Å; N461-K470 WeakPolarHBondContact OD1-CE 3.49Å
462	S	97.8	Very high	97.6	Very high	28 Å²	28	50.6 Å²	50.6	20%	0.196	24%	0.24	C	C	.	.			trans	-163.7	177.3	176	75	0	0	0	0	110	N464 H467	S462-N464 VanDerWaalsContact C-N 3.28Å; S462-N464 PolarHBondContact O-N 3.14Å; S462-N464 PolarHBondContact OG-N 3.45Å; S462-N464 VanDerWaalsContact OG-N 3.12Å; S462-H467 PolarHBondContact OG-ND1 2.92Å
463	R	97.1	Very high	97.6	Very high	121 Å²	121	50.1 Å²	50.1	46%	0.457	24%	0.237	S	C	.	.	S	Bend	trans	-74.3	-12.1	171.6	-168.7	172.4	176.6	-172	-0.9	114.2	N323 I324 P465	N323-R463 PolarHBondContact O-NH1 2.6Å; I324-R463 HydrophobicContact CD1-CG 4.27Å; I324-R463 HydrophobicContact CG1-CG 4.01Å; R463-P465 WeakPolarHBondContact O-CD 3.12Å
464	N	97.2	Very high	97.6	Very high	68 Å²	68	46.4 Å²	46.4	36%	0.364	22%	0.222	S	C	.	.			trans	-72	116.4	176.1	-176.6	-5.3	0	0	0	109.7	S462 Q466 H467	S462-N464 VanDerWaalsContact C-N 3.28Å; S462-N464 PolarHBondContact O-N 3.14Å; S462-N464 PolarHBondContact OG-N 3.45Å; S462-N464 VanDerWaalsContact OG-N 3.12Å; N464-Q466 PolarHBondContact O-N 2.8Å; N464-Q466 VanDerWaalsContact O-N 3.13Å; N464-Q466 WeakPolarHBondContact OD1-CB 3.12Å; N464-Q466 PolarHBondContact OD1-N 3.3Å; N464-H467 PolarHBondContact ND2-CD2 3.22Å; N464-H467 PolarHBondContact ND2-NE2 2.68Å; N464-H467 VanDerWaalsContact ND2-NE2 3.13Å; N464-H467 PolarHBondContact O-N 3.15Å
465	P	96.2	Very high	97.5	Very high	28 Å²	28	46.4 Å²	46.4	18%	0.182	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-22.5	179.7	26.2	-35.5	0	0	0	112.9	T265 K306 L310 R463 H467	T265-P465 HydrophobicContact CG2-CB 3.68Å; T265-P465 HydrophobicContact CG2-CG 3.79Å; K306-P465 VanDerWaalsContact CE-O 3.24Å; K306-P465 WeakPolarHBondContact CE-O 3.14Å; K306-P465 PolarHBondContact NZ-O 3.47Å; L310-P465 HydrophobicContact CD1-CB 3.92Å; R463-P465 WeakPolarHBondContact O-CD 3.12Å; P465-H467 VanDerWaalsContact C-N 3.29Å; P465-H467 PolarHBondContact O-N 3.3Å
466	Q	95	Very high	97.5	Very high	99 Å²	99	44.4 Å²	44.4	46%	0.463	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-14.5	178.6	-61.4	-61.8	-66.3	0	0	113.3	E263 N464	E263-Q466 PolarHBondContact OE2-NE2 3.43Å; N464-Q466 PolarHBondContact O-N 2.8Å; N464-Q466 VanDerWaalsContact O-N 3.13Å; N464-Q466 WeakPolarHBondContact OD1-CB 3.12Å; N464-Q466 PolarHBondContact OD1-N 3.3Å
467	H	97.3	Very high	97.5	Very high	87 Å²	87	46.3 Å²	46.3	40%	0.403	22%	0.224	S	C	.	.	S	Bend	trans	-78	138.1	174.5	-66.2	177.8	0	0	0	110.3	K306 S462 N464 P465	K306-H467 WeakPolarHBondContact CE-O 3.44Å; K306-H467 PolarHBondContact NZ-O 2.99Å; S462-H467 PolarHBondContact OG-ND1 2.92Å; N464-H467 PolarHBondContact ND2-CD2 3.22Å; N464-H467 PolarHBondContact ND2-NE2 2.68Å; N464-H467 VanDerWaalsContact ND2-NE2 3.13Å; N464-H467 PolarHBondContact O-N 3.15Å; P465-H467 VanDerWaalsContact C-N 3.29Å; P465-H467 PolarHBondContact O-N 3.3Å
468	Q	96.7	Very high	97.4	Very high	77 Å²	77	46.3 Å²	46.3	36%	0.36	23%	0.228	S	C	.	.	P	Polyproline II helix	trans	-64.1	149.2	174.5	-64.4	-169	-6	0	0	110.8	W99 K100 Y101 N461	W99-Q468 PolarHBondContact O-NE2 2.87Å; K100-Q468 PolarHBondContact O-NE2 2.9Å; Y101-Q468 HydrophobicContact CD1-CB 4.01Å; Y101-Q468 VanDerWaalsContact CD1-CD 3.48Å; Y101-Q468 HydrophobicContact CD1-CG 3.87Å; Y101-Q468 HydrophobicContact CE1-CB 3.86Å; Y101-Q468 HydrophobicContact CE1-CG 3.67Å; N461-Q468 WeakPolarHBondContact CB-O 3.11Å
469	P	97.9	Very high	97.4	Very high	9 Å²	9	51.1 Å²	51.1	6%	0.058	25%	0.25	C	S	.	.	P	Polyproline II helix	trans	-71.1	157.6	173.8	32.2	-32.7	0	0	0	110.9	Y101 K306 V458 R459 I471	Y101-P469 HydrophobicContact CE1-CG 4.3Å; K306-P469 HydrophobicContact CD-CG 4.44Å; V458-P469 HydrophobicContact CG1-CB 3.72Å; V458-P469 HydrophobicContact CG1-CG 4.2Å; R459-P469 CarbonylContact O-C 3.53Å; R459-P469 VanDerWaalsContact O-CA 3.32Å; R459-P469 WeakPolarHBondContact O-CA 3.35Å; R459-P469 VanDerWaalsContact O-CB 3.29Å; R459-P469 WeakPolarHBondContact O-CB 3.48Å; P469-I471 HydrophobicContact CG-CG1 4.33Å; P469-I471 PolarHBondContact O-N 3.21Å
470	K	98	Very high	97.4	Very high	98 Å²	98	54.3 Å²	54.3	43%	0.426	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	123.8	163.9	-65.6	-179.4	180	173.9	0	107.9	V458 R459 N461 I472	V458-K470 WeakPolarHBondContact CA-O 3.34Å; R459-K470 HydrophobicContact CB-CB 4.35Å; R459-K470 PolarHBondContact N-O 2.88Å; R459-K470 PolarHBondContact O-N 2.8Å; N461-K470 HydrophobicContact CB-CG 4.19Å; N461-K470 WeakPolarHBondContact OD1-CE 3.49Å; K470-I472 HydrophobicContact CB-CD1 3.76Å
471	I	98.3	Very high	97.4	Very high	1 Å²	1	54.2 Å²	54.2	1%	0.005	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	114.9	177.7	-64.3	160.1	0	0	0	106.9	Y101 T104 W122 L302 M336 P469 P473	Y101-I471 HydrophobicContact CD1-CD1 4.08Å; Y101-I471 HydrophobicContact CD2-CD1 4.44Å; Y101-I471 HydrophobicContact CG-CD1 3.8Å; T104-I471 VanDerWaalsContact CB-O 3.28Å; T104-I471 WeakPolarHBondContact CB-O 3.41Å; T104-I471 PolarHBondContact N-O 3.31Å; T104-I471 PolarHBondContact OG1-O 2.68Å; W122-I471 HydrophobicContact CD2-CG2 4.06Å; W122-I471 HydrophobicContact CE3-CD1 4.4Å; W122-I471 HydrophobicContact CE3-CG2 3.48Å; W122-I471 VanDerWaalsContact CE3-CG2 3.48Å; W122-I471 HydrophobicContact CH2-CG2 3.95Å; W122-I471 HydrophobicContact CZ2-CG2 4.43Å; W122-I471 HydrophobicContact CZ3-CG2 3.4Å; L302-I471 HydrophobicContact CD1-CD1 3.84Å; L302-I471 HydrophobicContact CD1-CG1 4.48Å; M336-I471 HydrophobicContact CE-CG2 3.92Å; M336-I471 HydrophobicContact SD-CG2 4.01Å; P469-I471 HydrophobicContact CG-CG1 4.33Å; P469-I471 PolarHBondContact O-N 3.21Å; I471-P473 WeakPolarHBondContact O-CD 3.37Å
472	I	97.8	Very high	97.4	Very high	25 Å²	25	50.3 Å²	50.3	13%	0.128	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	95.4	-179.2	-56.7	79	0	0	0	107.4	T104 M336 G456 W457 K470 N474	T104-I472 HydrophobicContact CG2-CG1 4.45Å; M336-I472 VanDerWaalsContact CE-C 3.47Å; M336-I472 VanDerWaalsContact CE-O 3.25Å; M336-I472 WeakPolarHBondContact CE-O 3.14Å; G456-I472 CarbonylContact C-O 3.47Å; G456-I472 WeakPolarHBondContact CA-O 3.37Å; W457-I472 HydrophobicContact CD2-CB 4.17Å; W457-I472 HydrophobicContact CD2-CG2 4.33Å; W457-I472 HydrophobicContact CG-CB 4.34Å; W457-I472 HydrophobicContact CH2-CG2 4.04Å; W457-I472 HydrophobicContact CZ2-CB 4.19Å; W457-I472 HydrophobicContact CZ2-CG2 3.6Å; W457-I472 PolarHBondContact N-O 2.8Å; W457-I472 PolarHBondContact O-N 3.49Å; K470-I472 HydrophobicContact CB-CD1 3.76Å; I472-N474 PolarHBondContact O-N 2.87Å
473	P	97.4	Very high	97.5	Very high	5 Å²	5	51.3 Å²	51.3	3%	0.032	25%	0.249	C	C	.	.			trans	-63.7	-30.6	-178.3	-21.7	32.4	0	0	0	114.2	T103 W122 M336 G456 I471 Y475	T103-P473 HydrophobicContact CG2-CG 3.42Å; T103-P473 VanDerWaalsContact CG2-CG 3.42Å; W122-P473 HydrophobicContact CH2-CG 4.4Å; W122-P473 HydrophobicContact CZ2-CB 4.08Å; W122-P473 HydrophobicContact CZ2-CG 3.81Å; M336-P473 HydrophobicContact CE-CB 4.21Å; M336-P473 HydrophobicContact CE-CG 4.36Å; G456-P473 WeakPolarHBondContact CA-O 3.46Å; G456-P473 PolarHBondContact N-O 3.42Å; I471-P473 WeakPolarHBondContact O-CD 3.37Å; P473-Y475 HydrophobicContact CB-CD1 3.81Å; P473-Y475 HydrophobicContact CB-CD2 3.49Å; P473-Y475 VanDerWaalsContact CB-CD2 3.49Å; P473-Y475 HydrophobicContact CB-CE1 3.71Å; P473-Y475 HydrophobicContact CB-CE2 3.36Å; P473-Y475 HydrophobicContact CB-CG 3.72Å; P473-Y475 VanDerWaalsContact CB-CZ 3.5Å; P473-Y475 HydrophobicContact CG-CD2 4.1Å; P473-Y475 HydrophobicContact CG-CE2 3.69Å; P473-Y475 PolarHBondContact O-N 2.8Å
474	N	97	Very high	97.5	Very high	40 Å²	40	46.2 Å²	46.2	21%	0.214	23%	0.231	C	C	.	.			trans	53.7	33.8	-174.1	-164.2	37.8	0	0	0	112.3	S454 T455 W457 I472 A477	S454-N474 WeakPolarHBondContact CB-O 3.15Å; T455-N474 WeakPolarHBondContact O-CB 3.48Å; T455-N474 PolarHBondContact O-ND2 2.62Å; W457-N474 HydrophobicContact CH2-CB 4.31Å; W457-N474 HydrophobicContact CZ3-CB 3.9Å; I472-N474 PolarHBondContact O-N 2.87Å; N474-A477 WeakPolarHBondContact O-CB 3.4Å; N474-A477 PolarHBondContact O-N 2.56Å
475	Y	97.8	Very high	97.6	Very high	9 Å²	9	43 Å²	43	4%	0.035	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	142.2	-178.5	-62.2	-53.9	0	0	0	111.4	Y111 W122 D338 V340 P473 A477 T535 T537	Y111-Y475 HydrophobicContact CD1-CD2 4.1Å; Y111-Y475 HydrophobicContact CD1-CG 4.42Å; Y111-Y475 HydrophobicContact CD2-CD2 4.3Å; Y111-Y475 AromaticContact CG-CD2 3.89Å; Y111-Y475 HydrophobicContact CG-CD2 3.89Å; W122-Y475 AromaticContact CZ2-CZ 3.88Å; W122-Y475 WeakPolarHBondContact CZ2-OH 3.49Å; W122-Y475 PolarHBondContact NE1-OH 3.2Å; W122-Y475 VanDerWaalsContact NE1-OH 3.13Å; D338-Y475 HydrophobicContact CB-CE1 4.11Å; D338-Y475 PolarHBondContact OD2-OH 3.07Å; V340-Y475 HydrophobicContact CB-CD1 3.95Å; V340-Y475 HydrophobicContact CB-CE1 3.8Å; V340-Y475 HydrophobicContact CG1-CD1 4.06Å; V340-Y475 HydrophobicContact CG1-CE1 4.35Å; V340-Y475 HydrophobicContact CG2-CD1 3.95Å; V340-Y475 HydrophobicContact CG2-CD2 4.4Å; V340-Y475 HydrophobicContact CG2-CE1 3.92Å; V340-Y475 HydrophobicContact CG2-CE2 4.39Å; V340-Y475 HydrophobicContact CG2-CG 4.17Å; P473-Y475 HydrophobicContact CB-CD1 3.81Å; P473-Y475 HydrophobicContact CB-CD2 3.49Å; P473-Y475 VanDerWaalsContact CB-CD2 3.49Å; P473-Y475 HydrophobicContact CB-CE1 3.71Å; P473-Y475 HydrophobicContact CB-CE2 3.36Å; P473-Y475 HydrophobicContact CB-CG 3.72Å; P473-Y475 VanDerWaalsContact CB-CZ 3.5Å; P473-Y475 HydrophobicContact CG-CD2 4.1Å; P473-Y475 HydrophobicContact CG-CE2 3.69Å; P473-Y475 PolarHBondContact O-N 2.8Å; Y475-A477 PolarHBondContact O-N 2.97Å; Y475-T535 HydrophobicContact CD2-CG2 3.9Å; Y475-T535 HydrophobicContact CE2-CG2 4.16Å; Y475-T537 VanDerWaalsContact OH-CB 3.26Å; Y475-T537 WeakPolarHBondContact OH-CB 3.27Å
476	F	97.4	Very high	97.7	Very high	9 Å²	9	41.9 Å²	41.9	4%	0.039	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.3	28.8	174.6	-38.2	-58.4	0	0	0	113.6	V340 S454 H478 D481 I482 L485 I531 K532 T535	V340-F476 HydrophobicContact CG1-CE1 3.77Å; V340-F476 HydrophobicContact CG1-CZ 4.14Å; V340-F476 HydrophobicContact CG2-CE1 4.2Å; V340-F476 HydrophobicContact CG2-CZ 3.69Å; S454-F476 PolarHBondContact OG-N 3.29Å; F476-H478 PolarHBondContact O-N 2.6Å; F476-D481 HydrophobicContact CD1-CB 4.36Å; F476-I482 HydrophobicContact CB-CD1 3.94Å; F476-I482 HydrophobicContact CB-CG1 3.9Å; F476-I482 HydrophobicContact CD1-CG1 3.84Å; F476-I482 HydrophobicContact CG-CD1 4.43Å; F476-I482 HydrophobicContact CG-CG1 4.03Å; F476-L485 HydrophobicContact CE1-CD1 3.74Å; F476-L485 HydrophobicContact CZ-CD1 4.46Å; F476-I531 HydrophobicContact CD1-CG2 4.18Å; F476-I531 HydrophobicContact CE1-CG2 3.47Å; F476-I531 VanDerWaalsContact CE1-CG2 3.47Å; F476-I531 HydrophobicContact CE2-CG2 3.86Å; F476-I531 HydrophobicContact CZ-CG2 3.28Å; F476-K532 HydrophobicContact CD2-CG 4.47Å; F476-T535 HydrophobicContact CE2-CG2 3.65Å; F476-T535 HydrophobicContact CZ-CG2 3.84Å
477	A	96.9	Very high	97.9	Very high	42 Å²	42	38.7 Å²	38.7	35%	0.347	19%	0.192	S	C	.	.	S	Bend	trans	-64	-28.7	166.5	0	0	0	0	0	111.3	S454 N474 Y475	S454-A477 PolarHBondContact OG-N 3.31Å; N474-A477 WeakPolarHBondContact O-CB 3.4Å; N474-A477 PolarHBondContact O-N 2.56Å; Y475-A477 PolarHBondContact O-N 2.97Å
478	H	97.7	Very high	98	Very high	93 Å²	93	34.5 Å²	34.5	43%	0.431	17%	0.172	S	C	.	.	S	Bend	trans	-104.6	128.9	171.7	-65.5	-97.4	0	0	0	110.5	K453 S454 F476 E480 D481	K453-H478 HydrophobicContact CB-CB 3.8Å; S454-H478 PolarHBondContact OG-N 2.79Å; F476-H478 PolarHBondContact O-N 2.6Å; H478-E480 VanDerWaalsContact C-N 3.26Å; H478-E480 PolarHBondContact O-N 3.09Å; H478-D481 WeakPolarHBondContact O-CB 3.48Å; H478-D481 PolarHBondContact O-N 3.48Å
479	Q	97.6	Very high	98.1	Very high	101 Å²	101	30.9 Å²	30.9	47%	0.472	16%	0.155	S	C	.	.	H	α-helix	trans	-63.2	-32.6	179.6	-178.2	58.5	48	0	0	112.3	D481 I482 D483	Q479-D481 PolarHBondContact O-N 3.33Å; Q479-D481 VanDerWaalsContact O-N 3.17Å; Q479-I482 WeakPolarHBondContact O-CB 3.45Å; Q479-I482 PolarHBondContact O-N 3.41Å; Q479-D483 PolarHBondContact NE2-OD1 2.91Å; Q479-D483 PolarHBondContact O-N 3.43Å
480	E	98.1	Very high	98.1	Very high	114 Å²	114	33.2 Å²	33.2	53%	0.533	17%	0.165	S	C	.	.	H	α-helix	trans	-53.5	-35.9	176.5	-69.6	175.3	-159.7	0	0	112.9	H478 I482 D483 V484	H478-E480 VanDerWaalsContact C-N 3.26Å; H478-E480 PolarHBondContact O-N 3.09Å; E480-I482 VanDerWaalsContact C-N 3.27Å; E480-I482 PolarHBondContact O-N 2.89Å; E480-D483 PolarHBondContact O-N 3.31Å; E480-V484 WeakPolarHBondContact O-CG2 3.25Å; E480-V484 PolarHBondContact O-N 2.5Å
481	D	98.4	Very high	98.1	Very high	3 Å²	3	29.9 Å²	29.9	2%	0.016	15%	0.151	C	C	.	.	H	α-helix	trans	-61.9	-37.3	178.1	-69.2	-16.8	0	0	0	111.6	L449 K453 S454 F476 H478 Q479 L485	L449-D481 HydrophobicContact CD2-CB 3.47Å; L449-D481 VanDerWaalsContact CD2-CB 3.47Å; K453-D481 PolarHBondContact N-OD1 2.84Å; S454-D481 WeakPolarHBondContact CB-OD2 3.46Å; S454-D481 PolarHBondContact N-OD2 3.12Å; S454-D481 PolarHBondContact OG-OD2 2.86Å; F476-D481 HydrophobicContact CD1-CB 4.36Å; H478-D481 WeakPolarHBondContact O-CB 3.48Å; H478-D481 PolarHBondContact O-N 3.48Å; Q479-D481 PolarHBondContact O-N 3.33Å; Q479-D481 VanDerWaalsContact O-N 3.17Å; D481-L485 WeakPolarHBondContact O-CG 3.38Å; D481-L485 PolarHBondContact O-N 2.96Å
482	I	98.6	Very high	98.1	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-72.3	-44.2	176.1	-61.4	173.8	0	0	0	109.7	F476 Q479 E480 V484 L485 V486 A528 I531	F476-I482 HydrophobicContact CB-CD1 3.94Å; F476-I482 HydrophobicContact CB-CG1 3.9Å; F476-I482 HydrophobicContact CD1-CG1 3.84Å; F476-I482 HydrophobicContact CG-CD1 4.43Å; F476-I482 HydrophobicContact CG-CG1 4.03Å; Q479-I482 WeakPolarHBondContact O-CB 3.45Å; Q479-I482 PolarHBondContact O-N 3.41Å; E480-I482 VanDerWaalsContact C-N 3.27Å; E480-I482 PolarHBondContact O-N 2.89Å; I482-V484 VanDerWaalsContact C-N 3.34Å; I482-V484 PolarHBondContact O-N 2.71Å; I482-L485 WeakPolarHBondContact O-CB 3.21Å; I482-L485 PolarHBondContact O-N 3.1Å; I482-L485 VanDerWaalsContact O-N 3.12Å; I482-V486 HydrophobicContact CG2-CG2 4.2Å; I482-V486 WeakPolarHBondContact O-CG2 3.36Å; I482-V486 PolarHBondContact O-N 2.98Å; I482-A528 HydrophobicContact CG2-CB 3.58Å; I482-I531 HydrophobicContact CG2-CD1 4.06Å
483	D	98.6	Very high	98.2	Very high	48 Å²	48	29.5 Å²	29.5	26%	0.257	15%	0.149	S	C	.	.	H	α-helix	trans	-62.4	-42.1	-175.1	-62.9	-13.9	0	0	0	111.6	Y392 Q479 E480 V486 E487	Y392-D483 HydrophobicContact CE2-CB 3.95Å; Q479-D483 PolarHBondContact NE2-OD1 2.91Å; Q479-D483 PolarHBondContact O-N 3.43Å; E480-D483 PolarHBondContact O-N 3.31Å; D483-V486 PolarHBondContact O-N 2.83Å; D483-E487 PolarHBondContact O-N 3.31Å
484	V	98.6	Very high	98.2	Very high	14 Å²	14	33.1 Å²	33.1	9%	0.085	17%	0.168	C	C	.	.	H	α-helix	trans	-61.7	-44.4	173	172.9	0	0	0	0	111	T390 Y392 D401 V402 L449 E480 I482 V486 E487 G488	T390-V484 HydrophobicContact CG2-CG1 3.95Å; Y392-V484 HydrophobicContact CD2-CB 4.47Å; Y392-V484 HydrophobicContact CD2-CG2 3.69Å; Y392-V484 HydrophobicContact CE2-CG2 4.44Å; Y392-V484 HydrophobicContact CG-CG2 4.11Å; D401-V484 HydrophobicContact CB-CG1 4.36Å; V402-V484 HydrophobicContact CG2-CG1 3.71Å; L449-V484 HydrophobicContact CD1-CB 3.89Å; L449-V484 HydrophobicContact CD1-CG1 3.59Å; E480-V484 WeakPolarHBondContact O-CG2 3.25Å; E480-V484 PolarHBondContact O-N 2.5Å; I482-V484 VanDerWaalsContact C-N 3.34Å; I482-V484 PolarHBondContact O-N 2.71Å; V484-V486 VanDerWaalsContact C-N 3.35Å; V484-V486 PolarHBondContact O-N 2.91Å; V484-E487 PolarHBondContact O-N 3.09Å; V484-G488 PolarHBondContact O-N 2.89Å
485	L	98.7	Very high	98.3	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-64.5	-36.6	178	-77.7	173.3	0	0	0	112.9	P447 L449 F476 D481 I482 E487 G488 I489 I531	P447-L485 WeakPolarHBondContact O-CD2 3.25Å; L449-L485 HydrophobicContact CB-CD1 4.33Å; L449-L485 HydrophobicContact CB-CD2 3.9Å; L449-L485 HydrophobicContact CB-CG 4.02Å; F476-L485 HydrophobicContact CE1-CD1 3.74Å; F476-L485 HydrophobicContact CZ-CD1 4.46Å; D481-L485 WeakPolarHBondContact O-CG 3.38Å; D481-L485 PolarHBondContact O-N 2.96Å; I482-L485 WeakPolarHBondContact O-CB 3.21Å; I482-L485 PolarHBondContact O-N 3.1Å; I482-L485 VanDerWaalsContact O-N 3.12Å; L485-E487 VanDerWaalsContact C-N 3.33Å; L485-G488 CarbonylContact O-C 3.6Å; L485-G488 WeakPolarHBondContact O-CA 3.17Å; L485-G488 PolarHBondContact O-N 3.33Å; L485-I489 VanDerWaalsContact O-CG1 3.3Å; L485-I489 WeakPolarHBondContact O-CG1 3.48Å; L485-I489 PolarHBondContact O-N 2.91Å; L485-I531 HydrophobicContact CB-CD1 3.56Å; L485-I531 HydrophobicContact CB-CG1 4.33Å; L485-I531 HydrophobicContact CD1-CD1 4.45Å; L485-I531 HydrophobicContact CD1-CG2 3.87Å
486	V	98.8	Very high	98.3	Very high	6 Å²	6	30.8 Å²	30.8	4%	0.036	16%	0.157	C	C	.	.	H	α-helix	trans	-61.4	-42.9	174.4	169.7	0	0	0	0	110.7	I482 D483 V484 I489 K490 N524 W527 A528 I531	I482-V486 HydrophobicContact CG2-CG2 4.2Å; I482-V486 WeakPolarHBondContact O-CG2 3.36Å; I482-V486 PolarHBondContact O-N 2.98Å; D483-V486 PolarHBondContact O-N 2.83Å; V484-V486 VanDerWaalsContact C-N 3.35Å; V484-V486 PolarHBondContact O-N 2.91Å; V486-I489 PolarHBondContact O-N 3.5Å; V486-K490 WeakPolarHBondContact O-CG 3.45Å; V486-K490 PolarHBondContact O-N 2.94Å; V486-K490 VanDerWaalsContact O-N 3.14Å; V486-N524 HydrophobicContact CG1-CB 4.25Å; V486-W527 HydrophobicContact CG1-CB 4.31Å; V486-W527 HydrophobicContact CG2-CB 3.96Å; V486-A528 HydrophobicContact CG2-CB 4.32Å; V486-I531 HydrophobicContact CG2-CD1 3.87Å
487	E	98.7	Very high	98.4	Very high	31 Å²	31	35 Å²	35	15%	0.145	18%	0.179	C	C	.	.	H	α-helix	trans	-66.2	-38.3	173.7	-63.3	-57.4	145.1	0	0	111.9	T390 K391 Y392 D483 V484 L485 I489 K490 L491	T390-E487 HydrophobicContact CG2-CB 3.81Å; K391-E487 HydrophobicContact CD-CG 4.17Å; K391-E487 HydrophobicContact CG-CG 4.31Å; K391-E487 IonicContact NZ-OE1 3.79Å; K391-E487 PolarHBondContact NZ-OE1 2.92Å; Y392-E487 HydrophobicContact CD2-CG 4.44Å; Y392-E487 HydrophobicContact CE2-CG 3.87Å; D483-E487 PolarHBondContact O-N 3.31Å; V484-E487 PolarHBondContact O-N 3.09Å; L485-E487 VanDerWaalsContact C-N 3.33Å; E487-I489 VanDerWaalsContact C-N 3.32Å; E487-I489 PolarHBondContact O-N 2.96Å; E487-K490 PolarHBondContact O-N 3.38Å; E487-K490 IonicContact OE1-NZ 3.67Å; E487-K490 PolarHBondContact OE1-NZ 3.46Å; E487-K490 IonicContact OE2-NZ 3.16Å; E487-L491 WeakPolarHBondContact O-CG 3.11Å; E487-L491 PolarHBondContact O-N 3.02Å
488	G	98.6	Very high	98.5	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-58.3	-39.7	171.5	0	0	0	0	0	113.4	F404 V484 L485 L491 A492	F404-G488 WeakPolarHBondContact CE1-O 3.49Å; F404-G488 VanDerWaalsContact CZ-O 3.25Å; F404-G488 WeakPolarHBondContact CZ-O 3.27Å; V484-G488 PolarHBondContact O-N 2.89Å; L485-G488 CarbonylContact O-C 3.6Å; L485-G488 WeakPolarHBondContact O-CA 3.17Å; L485-G488 PolarHBondContact O-N 3.33Å; G488-L491 PolarHBondContact O-N 3.41Å; G488-A492 PolarHBondContact O-N 2.82Å
489	I	98.8	Very high	98.5	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-65.6	-42.8	175.7	-67.5	159.5	0	0	0	111	L342 L345 P447 L485 V486 E487 L491 A492 I493 W527 I531	L342-I489 HydrophobicContact CB-CD1 4.06Å; L342-I489 HydrophobicContact CB-CG1 4.38Å; L342-I489 HydrophobicContact CD2-CD1 3.57Å; L342-I489 HydrophobicContact CD2-CG1 3.95Å; L342-I489 HydrophobicContact CG-CD1 4.44Å; L345-I489 HydrophobicContact CD1-CG2 4.16Å; L345-I489 HydrophobicContact CD2-CG1 4.48Å; L345-I489 HydrophobicContact CD2-CG2 4.2Å; P447-I489 HydrophobicContact CG-CG1 3.83Å; L485-I489 VanDerWaalsContact O-CG1 3.3Å; L485-I489 WeakPolarHBondContact O-CG1 3.48Å; L485-I489 PolarHBondContact O-N 2.91Å; V486-I489 PolarHBondContact O-N 3.5Å; E487-I489 VanDerWaalsContact C-N 3.32Å; E487-I489 PolarHBondContact O-N 2.96Å; I489-L491 VanDerWaalsContact C-N 3.33Å; I489-L491 PolarHBondContact O-N 3.1Å; I489-A492 WeakPolarHBondContact O-CB 3.28Å; I489-A492 PolarHBondContact O-N 2.8Å; I489-A492 VanDerWaalsContact O-N 3.16Å; I489-I493 HydrophobicContact CG2-CD1 3.99Å; I489-I493 WeakPolarHBondContact O-CG1 3.46Å; I489-I493 PolarHBondContact O-N 2.91Å; I489-W527 HydrophobicContact CD1-CB 4.03Å; I489-W527 HydrophobicContact CD1-CD2 4.38Å; I489-W527 HydrophobicContact CD1-CE3 4.22Å; I489-W527 HydrophobicContact CD1-CG 4.33Å; I489-W527 HydrophobicContact CG2-CD2 3.66Å; I489-W527 HydrophobicContact CG2-CE3 3.9Å; I489-W527 HydrophobicContact CG2-CG 4.1Å; I489-W527 HydrophobicContact CG2-CH2 4.3Å; I489-W527 HydrophobicContact CG2-CZ2 4.07Å; I489-W527 HydrophobicContact CG2-CZ3 4.22Å; I489-I531 HydrophobicContact CD1-CD1 3.9Å; I489-I531 HydrophobicContact CD1-CG1 3.97Å
490	K	98.7	Very high	98.5	Very high	59 Å²	59	31.8 Å²	31.8	26%	0.257	16%	0.159	S	C	.	.	H	α-helix	trans	-60.9	-42.8	176.1	-67.1	171.5	-171.6	170	0	111.6	V486 E487 A492 I493 N494 N524	V486-K490 WeakPolarHBondContact O-CG 3.45Å; V486-K490 PolarHBondContact O-N 2.94Å; V486-K490 VanDerWaalsContact O-N 3.14Å; E487-K490 PolarHBondContact O-N 3.38Å; E487-K490 IonicContact OE1-NZ 3.67Å; E487-K490 PolarHBondContact OE1-NZ 3.46Å; E487-K490 IonicContact OE2-NZ 3.16Å; K490-A492 VanDerWaalsContact C-N 3.32Å; K490-A492 PolarHBondContact O-N 3.23Å; K490-I493 PolarHBondContact O-N 3.22Å; K490-N494 PolarHBondContact O-N 2.76Å; K490-N524 WeakPolarHBondContact CE-OD1 3.4Å; K490-N524 PolarHBondContact NZ-OD1 3.48Å
491	L	98.4	Very high	98.6	Very high	28 Å²	28	26.4 Å²	26.4	15%	0.147	13%	0.134	C	C	.	.	H	α-helix	trans	-60.5	-40.8	174.3	-72.5	170.7	0	0	0	111.7	M212 L388 F404 E487 G488 I489 N494 V495	M212-L491 HydrophobicContact CE-CD2 4.28Å; L388-L491 HydrophobicContact CB-CD1 4.19Å; L388-L491 HydrophobicContact CD1-CB 4.38Å; L388-L491 HydrophobicContact CD1-CD1 4.28Å; F404-L491 HydrophobicContact CE2-CB 4.3Å; F404-L491 HydrophobicContact CZ-CB 3.66Å; E487-L491 WeakPolarHBondContact O-CG 3.11Å; E487-L491 PolarHBondContact O-N 3.02Å; G488-L491 PolarHBondContact O-N 3.41Å; I489-L491 VanDerWaalsContact C-N 3.33Å; I489-L491 PolarHBondContact O-N 3.1Å; L491-N494 WeakPolarHBondContact O-CB 3.48Å; L491-N494 PolarHBondContact O-N 3.46Å; L491-V495 PolarHBondContact O-N 3.39Å
492	A	98.5	Very high	98.6	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-67.1	-35.8	177.1	0	0	0	0	0	112.5	L345 F404 I445 G488 I489 K490 N494 V495 S496	L345-A492 HydrophobicContact CD2-CB 3.62Å; F404-A492 HydrophobicContact CE1-CB 4.21Å; F404-A492 HydrophobicContact CE2-CB 4.07Å; F404-A492 HydrophobicContact CZ-CB 3.71Å; F404-A492 VanDerWaalsContact CZ-N 3.33Å; I445-A492 HydrophobicContact CB-CB 4.08Å; I445-A492 HydrophobicContact CD1-CB 4.14Å; I445-A492 HydrophobicContact CG2-CB 3.68Å; G488-A492 PolarHBondContact O-N 2.82Å; I489-A492 WeakPolarHBondContact O-CB 3.28Å; I489-A492 PolarHBondContact O-N 2.8Å; I489-A492 VanDerWaalsContact O-N 3.16Å; K490-A492 VanDerWaalsContact C-N 3.32Å; K490-A492 PolarHBondContact O-N 3.23Å; A492-N494 VanDerWaalsContact C-N 3.34Å; A492-V495 WeakPolarHBondContact O-CB 3.33Å; A492-V495 PolarHBondContact O-N 2.68Å; A492-S496 PolarHBondContact O-N 2.72Å
493	I	98.6	Very high	98.5	Very high	17 Å²	17	37.1 Å²	37.1	9%	0.087	18%	0.178	C	C	.	.	H	α-helix	trans	-65	-40.8	172.2	-67.5	165	0	0	0	110.4	F347 I489 K490 V495 S496 N497 L508 W527	F347-I493 HydrophobicContact CE1-CG1 4.37Å; F347-I493 HydrophobicContact CZ-CG1 4.33Å; I489-I493 HydrophobicContact CG2-CD1 3.99Å; I489-I493 WeakPolarHBondContact O-CG1 3.46Å; I489-I493 PolarHBondContact O-N 2.91Å; K490-I493 PolarHBondContact O-N 3.22Å; I493-V495 VanDerWaalsContact C-N 3.3Å; I493-V495 PolarHBondContact O-N 3.34Å; I493-S496 WeakPolarHBondContact O-CB 3.45Å; I493-S496 PolarHBondContact O-N 3.33Å; I493-S496 VanDerWaalsContact O-N 3.08Å; I493-N497 PolarHBondContact O-N 3.05Å; I493-N497 VanDerWaalsContact O-N 3.13Å; I493-N497 PolarHBondContact O-ND2 3.31Å; I493-L508 HydrophobicContact CD1-CD2 4.2Å; I493-L508 HydrophobicContact CG1-CD2 4.47Å; I493-W527 HydrophobicContact CD1-CZ2 3.68Å
494	N	98.4	Very high	98.5	Very high	81 Å²	81	36.3 Å²	36.3	43%	0.433	17%	0.172	S	C	.	.	H	α-helix	trans	-61	-38.3	175.5	-70.6	-11.5	0	0	0	112	M212 K490 L491 A492 S496 N497 T498	M212-N494 HydrophobicContact CE-CB 4.01Å; M212-N494 HydrophobicContact SD-CB 4.39Å; K490-N494 PolarHBondContact O-N 2.76Å; L491-N494 WeakPolarHBondContact O-CB 3.48Å; L491-N494 PolarHBondContact O-N 3.46Å; A492-N494 VanDerWaalsContact C-N 3.34Å; N494-S496 VanDerWaalsContact C-N 3.29Å; N494-S496 PolarHBondContact O-N 2.79Å; N494-N497 PolarHBondContact O-N 3.4Å; N494-T498 WeakPolarHBondContact O-CG2 3.29Å; N494-T498 PolarHBondContact O-N 2.86Å
495	V	98.7	Very high	98.4	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-54.9	-46.1	172.1	171.9	0	0	0	0	110.8	F205 A208 M212 F227 F404 W443 I445 L491 A492 I493 N497 T498 F501	F205-V495 HydrophobicContact CD2-CG1 4.21Å; A208-V495 HydrophobicContact CB-CG1 3.87Å; M212-V495 HydrophobicContact CE-CG2 4.17Å; M212-V495 HydrophobicContact SD-CB 4.3Å; M212-V495 HydrophobicContact SD-CG2 3.55Å; M212-V495 VanDerWaalsContact SD-CG2 3.55Å; F227-V495 HydrophobicContact CE1-CG2 4.23Å; F227-V495 HydrophobicContact CZ-CG2 4.13Å; F404-V495 HydrophobicContact CE2-CG2 4.05Å; W443-V495 HydrophobicContact CH2-CG1 4.36Å; I445-V495 HydrophobicContact CD1-CB 4.01Å; I445-V495 HydrophobicContact CD1-CG1 3.88Å; I445-V495 HydrophobicContact CD1-CG2 4.24Å; L491-V495 PolarHBondContact O-N 3.39Å; A492-V495 WeakPolarHBondContact O-CB 3.33Å; A492-V495 PolarHBondContact O-N 2.68Å; I493-V495 VanDerWaalsContact C-N 3.3Å; I493-V495 PolarHBondContact O-N 3.34Å; V495-N497 PolarHBondContact O-N 3.21Å; V495-T498 PolarHBondContact O-N 3.16Å; V495-T498 PolarHBondContact O-OG1 3.15Å; V495-F501 HydrophobicContact CG1-CD2 3.85Å; V495-F501 HydrophobicContact CG1-CE2 3.48Å; V495-F501 VanDerWaalsContact CG1-CE2 3.48Å; V495-F501 HydrophobicContact CG1-CZ 4.3Å; V495-F501 VanDerWaalsContact O-CD2 3.31Å; V495-F501 WeakPolarHBondContact O-CD2 3.46Å
496	S	98.4	Very high	98.4	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.007	18%	0.179	C	C	.	.	H	α-helix	trans	-64.1	-28.4	176.9	-176.6	0	0	0	0	113.4	F347 A492 I493 N494 F501 Q502 S506	F347-S496 VanDerWaalsContact CD1-CB 3.44Å; F347-S496 WeakPolarHBondContact CD1-OG 3.13Å; F347-S496 VanDerWaalsContact CE1-CB 3.45Å; A492-S496 PolarHBondContact O-N 2.72Å; I493-S496 WeakPolarHBondContact O-CB 3.45Å; I493-S496 PolarHBondContact O-N 3.33Å; I493-S496 VanDerWaalsContact O-N 3.08Å; N494-S496 VanDerWaalsContact C-N 3.29Å; N494-S496 PolarHBondContact O-N 2.79Å; S496-F501 WeakPolarHBondContact O-CB 3.46Å; S496-Q502 PolarHBondContact O-NE2 2.75Å; S496-S506 WeakPolarHBondContact OG-CB 3.42Å; S496-S506 PolarHBondContact OG-OG 3.31Å
497	N	98.4	Very high	98.4	Very high	96 Å²	96	42 Å²	42	51%	0.513	20%	0.198	S	C	.	.	H	α-helix	trans	-85.2	-7.2	-177.2	-67.2	-22.2	0	0	0	113.4	I493 N494 V495	I493-N497 PolarHBondContact O-N 3.05Å; I493-N497 VanDerWaalsContact O-N 3.13Å; I493-N497 PolarHBondContact O-ND2 3.31Å; N494-N497 PolarHBondContact O-N 3.4Å; V495-N497 PolarHBondContact O-N 3.21Å
498	T	98.8	Very high	98.4	Very high	12 Å²	12	41.8 Å²	41.8	7%	0.074	20%	0.198	C	C	.	.	S	Bend	trans	-65.3	155	173.7	62.1	0	0	0	0	112.3	A208 E211 M212 N494 V495 A500 F501 Q502	A208-T498 HydrophobicContact CB-CG2 3.82Å; A208-T498 WeakPolarHBondContact CB-OG1 3.46Å; E211-T498 HydrophobicContact CB-CG2 4.2Å; E211-T498 WeakPolarHBondContact OE2-CB 3.43Å; M212-T498 HydrophobicContact CG-CG2 3.87Å; M212-T498 HydrophobicContact SD-CG2 4.13Å; N494-T498 WeakPolarHBondContact O-CG2 3.29Å; N494-T498 PolarHBondContact O-N 2.86Å; V495-T498 PolarHBondContact O-N 3.16Å; V495-T498 PolarHBondContact O-OG1 3.15Å; T498-A500 PolarHBondContact O-N 2.96Å; T498-F501 PolarHBondContact O-N 3.1Å; T498-F501 VanDerWaalsContact O-N 3.12Å; T498-Q502 WeakPolarHBondContact O-CB 3.45Å; T498-Q502 VanDerWaalsContact O-CG 3.3Å; T498-Q502 WeakPolarHBondContact O-CG 3.31Å; T498-Q502 PolarHBondContact O-N 2.66Å
499	Q	98.5	Very high	98.3	Very high	155 Å²	155	42.7 Å²	42.7	72%	0.724	20%	0.202	S	C	*	.	H	α-helix	trans	-58.6	-38.2	177.3	-58.5	-178.6	24.3	0	0	111.1	E211 F501 Q502 R503	E211-Q499 WeakPolarHBondContact OE2-CB 3.29Å; E211-Q499 PolarHBondContact OE2-N 3.12Å; Q499-F501 PolarHBondContact O-N 2.99Å; Q499-Q502 PolarHBondContact O-N 3.36Å; Q499-R503 PolarHBondContact O-N 3.05Å; Q499-R503 VanDerWaalsContact O-N 3.08Å
500	A	98.2	Very high	98.2	Very high	3 Å²	3	48.3 Å²	48.3	3%	0.025	23%	0.232	C	C	.	.	H	α-helix	trans	-52.8	-36.5	175.5	0	0	0	0	0	114.1	A204 Q207 A208 E211 T498 R503	A204-A500 HydrophobicContact CB-CB 4.35Å; A204-A500 WeakPolarHBondContact O-CB 3.3Å; Q207-A500 HydrophobicContact CB-CB 3.64Å; A208-A500 HydrophobicContact CB-CB 4.33Å; E211-A500 WeakPolarHBondContact OE1-CB 3.36Å; E211-A500 PolarHBondContact OE1-N 2.93Å; T498-A500 PolarHBondContact O-N 2.96Å; A500-R503 WeakPolarHBondContact O-CG 3.43Å; A500-R503 PolarHBondContact O-NE 2.93Å
501	F	98.4	Very high	98.1	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-96.2	-34.3	176.3	-87.4	-82.1	0	0	0	113.4	L201 A204 F205 A208 F406 W443 V495 S496 T498 Q499 R503 F504 S506	L201-F501 HydrophobicContact CD2-CD1 4.33Å; L201-F501 HydrophobicContact CD2-CE1 3.95Å; A204-F501 HydrophobicContact CB-CE2 4.39Å; A204-F501 HydrophobicContact CB-CZ 4.45Å; F205-F501 HydrophobicContact CB-CE2 4.35Å; F205-F501 HydrophobicContact CB-CZ 4.28Å; A208-F501 HydrophobicContact CB-CD2 3.9Å; A208-F501 HydrophobicContact CB-CE2 3.99Å; F406-F501 HydrophobicContact CD2-CZ 4.34Å; F406-F501 HydrophobicContact CE2-CE1 4.04Å; F406-F501 AromaticContact CE2-CZ 3.69Å; F406-F501 HydrophobicContact CE2-CZ 3.69Å; F406-F501 HydrophobicContact CZ-CE1 4.47Å; F406-F501 HydrophobicContact CZ-CZ 4.21Å; W443-F501 HydrophobicContact CD2-CD1 4.42Å; W443-F501 AromaticContact CD2-CE1 3.8Å; W443-F501 HydrophobicContact CD2-CE1 3.8Å; W443-F501 HydrophobicContact CD2-CZ 4.48Å; W443-F501 AromaticContact CE2-CD1 3.56Å; W443-F501 AromaticContact CE2-CE1 3.39Å; W443-F501 HydrophobicContact CE3-CE1 4.35Å; W443-F501 HydrophobicContact CG-CE1 4.24Å; W443-F501 HydrophobicContact CH2-CD1 4.44Å; W443-F501 HydrophobicContact CH2-CE1 4.21Å; W443-F501 HydrophobicContact CH2-CZ 4.37Å; W443-F501 AromaticContact CZ2-CD1 3.56Å; W443-F501 HydrophobicContact CZ2-CD1 3.56Å; W443-F501 AromaticContact CZ2-CE1 3.61Å; W443-F501 HydrophobicContact CZ2-CE1 3.61Å; W443-F501 HydrophobicContact CZ2-CG 4.13Å; W443-F501 HydrophobicContact CZ2-CZ 4.2Å; W443-F501 AromaticContact NE1-CD1 3.6Å; W443-F501 AromaticContact NE1-CE1 3.66Å; V495-F501 HydrophobicContact CG1-CD2 3.85Å; V495-F501 HydrophobicContact CG1-CE2 3.48Å; V495-F501 VanDerWaalsContact CG1-CE2 3.48Å; V495-F501 HydrophobicContact CG1-CZ 4.3Å; V495-F501 VanDerWaalsContact O-CD2 3.31Å; V495-F501 WeakPolarHBondContact O-CD2 3.46Å; S496-F501 WeakPolarHBondContact O-CB 3.46Å; T498-F501 PolarHBondContact O-N 3.1Å; T498-F501 VanDerWaalsContact O-N 3.12Å; Q499-F501 PolarHBondContact O-N 2.99Å; F501-R503 PolarHBondContact O-N 2.48Å; F501-F504 PolarHBondContact O-N 3.03Å; F501-S506 WeakPolarHBondContact O-CB 3.45Å; F501-S506 PolarHBondContact O-N 3.17Å
502	Q	98.4	Very high	98.1	Very high	91 Å²	91	48.3 Å²	48.3	43%	0.425	24%	0.237	S	C	.	.	H	α-helix	trans	-61.3	-29.6	178.4	-74.1	-57.6	-54.6	0	0	112.5	S496 T498 Q499 F504 G505 S506	S496-Q502 PolarHBondContact O-NE2 2.75Å; T498-Q502 WeakPolarHBondContact O-CB 3.45Å; T498-Q502 VanDerWaalsContact O-CG 3.3Å; T498-Q502 WeakPolarHBondContact O-CG 3.31Å; T498-Q502 PolarHBondContact O-N 2.66Å; Q499-Q502 PolarHBondContact O-N 3.36Å; Q502-F504 PolarHBondContact O-N 2.93Å; Q502-G505 PolarHBondContact O-N 3.01Å; Q502-S506 PolarHBondContact NE2-O 2.62Å
503	R	97.5	Very high	98	Very high	138 Å²	138	48.9 Å²	48.9	52%	0.521	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-17.2	172.5	78	-174.8	-172.1	-179.1	-3	114.3	Q499 A500 F501	Q499-R503 PolarHBondContact O-N 3.05Å; Q499-R503 VanDerWaalsContact O-N 3.08Å; A500-R503 WeakPolarHBondContact O-CG 3.43Å; A500-R503 PolarHBondContact O-NE 2.93Å; F501-R503 PolarHBondContact O-N 2.48Å
504	F	97.8	Very high	97.9	Very high	31 Å²	31	50.3 Å²	50.3	14%	0.136	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.9	10.1	175.8	-56.3	-58.7	0	0	0	113.1	L201 A204 V349 D350 A351 L353 F501 Q502 S506	L201-F504 HydrophobicContact CD2-CD2 3.67Å; L201-F504 HydrophobicContact CD2-CE2 3.78Å; L201-F504 HydrophobicContact CD2-CG 4.45Å; A204-F504 HydrophobicContact CB-CE2 3.9Å; V349-F504 WeakPolarHBondContact CA-O 3.43Å; V349-F504 HydrophobicContact CB-CB 4.26Å; V349-F504 WeakPolarHBondContact CB-O 3.17Å; V349-F504 HydrophobicContact CG1-CB 4.12Å; D350-F504 PolarHBondContact N-O 3.39Å; A351-F504 HydrophobicContact CB-CD1 4.08Å; L353-F504 HydrophobicContact CD2-CD1 3.51Å; L353-F504 HydrophobicContact CD2-CD2 4.44Å; L353-F504 HydrophobicContact CD2-CE1 3.37Å; L353-F504 HydrophobicContact CD2-CE2 4.31Å; L353-F504 HydrophobicContact CD2-CG 4.04Å; L353-F504 HydrophobicContact CD2-CZ 3.78Å; F501-F504 PolarHBondContact O-N 3.03Å; Q502-F504 PolarHBondContact O-N 2.93Å; F504-S506 VanDerWaalsContact C-N 3.29Å; F504-S506 PolarHBondContact O-N 2.84Å
505	G	97.9	Very high	97.8	Very high	21 Å²	21	48.1 Å²	48.1	22%	0.216	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.9	26.8	-177.3	0	0	0	0	0	113.6	Q502 R507	Q502-G505 PolarHBondContact O-N 3.01Å; G505-R507 PolarHBondContact O-N 3.29Å; G505-R507 PolarHBondContact O-NH1 3.4Å
506	S	98.4	Very high	97.7	Very high	2 Å²	2	48.1 Å²	48.1	1%	0.014	25%	0.247	C	C	.	.			trans	-60.6	128.9	-175.3	-168	0	0	0	0	112.4	V348 W443 S496 F501 Q502 F504	V348-S506 CarbonylContact O-C 3.58Å; V348-S506 VanDerWaalsContact O-CA 3.3Å; V348-S506 WeakPolarHBondContact O-CA 3.41Å; W443-S506 VanDerWaalsContact CZ2-OG 3.26Å; W443-S506 WeakPolarHBondContact CZ2-OG 3.33Å; W443-S506 PolarHBondContact NE1-OG 3.27Å; S496-S506 WeakPolarHBondContact OG-CB 3.42Å; S496-S506 PolarHBondContact OG-OG 3.31Å; F501-S506 WeakPolarHBondContact O-CB 3.45Å; F501-S506 PolarHBondContact O-N 3.17Å; Q502-S506 PolarHBondContact NE2-O 2.62Å; F504-S506 VanDerWaalsContact C-N 3.29Å; F504-S506 PolarHBondContact O-N 2.84Å
507	R	98.2	Very high	97.7	Very high	115 Å²	115	54.7 Å²	54.7	43%	0.434	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	145.8	179.3	59.1	-168.3	173.7	-86	5.3	111.6	F347 V348 D350 G505 H509	F347-R507 CarbonylContact C-O 3.49Å; F347-R507 WeakPolarHBondContact CA-O 3.41Å; V348-R507 HydrophobicContact CB-CG 4.24Å; V348-R507 PolarHBondContact N-O 2.77Å; V348-R507 PolarHBondContact O-N 3.08Å; D350-R507 VanDerWaalsContact CG-NH1 3.28Å; D350-R507 IonicContact OD1-CZ 3.83Å; D350-R507 VanDerWaalsContact OD1-CZ 3.3Å; D350-R507 IonicContact OD1-NH1 2.9Å; D350-R507 PolarHBondContact OD1-NH1 3.29Å; D350-R507 IonicContact OD1-NH2 3.84Å; D350-R507 PolarHBondContact OD1-NH2 3.43Å; D350-R507 IonicContact OD2-NH1 2.91Å; D350-R507 PolarHBondContact OD2-NH1 3.07Å; D350-R507 VanDerWaalsContact OD2-NH1 3.11Å; G505-R507 PolarHBondContact O-N 3.29Å; G505-R507 PolarHBondContact O-NH1 3.4Å; R507-H509 PolarHBondContact O-N 2.77Å
508	L	98.2	Very high	97.6	Very high	28 Å²	28	57.1 Å²	57.1	15%	0.147	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	134.9	175.9	180	66.3	0	0	0	110.6	L345 F347 I493 N510 F521 Q522 W527	L345-L508 HydrophobicContact CD1-CD1 3.8Å; F347-L508 HydrophobicContact CD1-CB 4.25Å; F347-L508 HydrophobicContact CD1-CD1 4.28Å; F347-L508 HydrophobicContact CE1-CB 4.19Å; F347-L508 HydrophobicContact CE1-CD1 3.86Å; F347-L508 HydrophobicContact CZ-CD1 4.17Å; I493-L508 HydrophobicContact CD1-CD2 4.2Å; I493-L508 HydrophobicContact CG1-CD2 4.47Å; L508-N510 PolarHBondContact O-N 2.83Å; L508-F521 HydrophobicContact CD2-CE1 4.43Å; L508-F521 HydrophobicContact CD2-CZ 4.06Å; L508-Q522 HydrophobicContact CD2-CG 3.97Å; L508-W527 HydrophobicContact CD1-CH2 4.37Å; L508-W527 HydrophobicContact CD2-CH2 3.93Å; L508-W527 HydrophobicContact CD2-CZ2 3.89Å
509	H	97.7	Very high	97.6	Very high	19 Å²	19	58.6 Å²	58.6	9%	0.088	29%	0.287	C	S	.	.			trans	-61.2	122.4	170	175	-114.9	0	0	0	110.8	T346 V433 L437 R507 I511	T346-H509 HydrophobicContact CG2-CB 4.3Å; T346-H509 WeakPolarHBondContact O-CB 3.42Å; T346-H509 PolarHBondContact O-N 3.2Å; V433-H509 PolarHBondContact O-CE1 3.11Å; V433-H509 PolarHBondContact O-NE2 3.48Å; L437-H509 VanDerWaalsContact CD1-CD2 3.5Å; L437-H509 WeakPolarHBondContact CD1-CD2 3.42Å; R507-H509 PolarHBondContact O-N 2.77Å; H509-I511 WeakPolarHBondContact NE2-CG1 3.23Å
510	N	96.2	Very high	97.6	Very high	117 Å²	117	55.7 Å²	55.7	63%	0.626	28%	0.281	S	S	*	.			trans	-104.1	3.7	-164.2	68.5	-8.3	0	0	0	115.3	L508 P512 F521	L508-N510 PolarHBondContact O-N 2.83Å; N510-P512 WeakPolarHBondContact O-CD 3.21Å; N510-F521 HydrophobicContact CB-CE1 4.36Å; N510-F521 HydrophobicContact CB-CZ 4.34Å
511	I	97.2	Very high	97.6	Very high	48 Å²	48	59.1 Å²	59.1	25%	0.246	30%	0.296	C	S	.	.	S	Bend	trans	-77.5	115.9	172.3	-57	177.1	0	0	0	108.4	P436 H509	P436-I511 HydrophobicContact CB-CD1 3.84Å; P436-I511 HydrophobicContact CG-CD1 3.78Å; H509-I511 WeakPolarHBondContact NE2-CG1 3.23Å
512	P	97	Very high	97.6	Very high	40 Å²	40	63.3 Å²	63.3	26%	0.26	32%	0.315	S	S	.	.			trans	-70.3	145.4	-177.4	-17.6	32.2	0	0	0	112.2	N510 R517 F521 Y526	N510-P512 WeakPolarHBondContact O-CD 3.21Å; P512-R517 HydrophobicContact CB-CG 4.09Å; P512-F521 HydrophobicContact CB-CD2 4.28Å; P512-F521 HydrophobicContact CG-CD2 4.06Å; P512-F521 HydrophobicContact CG-CE2 4.49Å; P512-Y526 WeakPolarHBondContact CA-OH 3.34Å; P512-Y526 HydrophobicContact CB-CE2 3.96Å
513	L	97.2	Very high	97.6	Very high	12 Å²	12	60.1 Å²	60.1	6%	0.063	30%	0.303	C	S	.	.			trans	-61.6	134	177.1	-60.3	-164.2	0	0	0	110.5	F429 V433 G515 C516 R517 Y526 C530 E533 F534	F429-L513 HydrophobicContact CE2-CB 4.34Å; F429-L513 HydrophobicContact CE2-CD1 4.23Å; F429-L513 HydrophobicContact CE2-CD2 3.95Å; F429-L513 HydrophobicContact CE2-CG 4.4Å; F429-L513 HydrophobicContact CZ-CD1 4.15Å; F429-L513 HydrophobicContact CZ-CD2 3.77Å; F429-L513 HydrophobicContact CZ-CG 4.49Å; V433-L513 HydrophobicContact CB-CD2 4.48Å; V433-L513 HydrophobicContact CG1-CD2 3.74Å; V433-L513 HydrophobicContact CG2-CD2 3.88Å; L513-G515 VanDerWaalsContact C-N 3.3Å; L513-G515 PolarHBondContact O-N 2.91Å; L513-C516 HydrophobicContact CB-CB 4.49Å; L513-C516 PolarHBondContact O-N 2.92Å; L513-R517 PolarHBondContact O-N 3.25Å; L513-Y526 PolarHBondContact N-OH 3.19Å; L513-C530 HydrophobicContact CD1-CB 3.87Å; L513-E533 VanDerWaalsContact CB-OE2 3.31Å; L513-E533 WeakPolarHBondContact CB-OE2 3.42Å; L513-E533 HydrophobicContact CD1-CB 4.35Å; L513-E533 HydrophobicContact CD1-CG 4.45Å; L513-F534 HydrophobicContact CD1-CB 4.21Å
514	P	96.5	Very high	97.6	Very high	46 Å²	46	57 Å²	57	30%	0.299	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-52	-42	-172.5	-29.5	36	0	0	0	114.9	F429 T432 V433 C516	F429-P514 HydrophobicContact CD2-CG 4.33Å; T432-P514 HydrophobicContact CG2-CG 3.99Å; V433-P514 HydrophobicContact CG2-CG 4.32Å; P514-C516 VanDerWaalsContact C-N 3.26Å; P514-C516 PolarHBondContact O-N 3.35Å
515	G	95.6	Very high	97.6	Very high	35 Å²	35	60.9 Å²	60.9	36%	0.361	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-70.7	-17.1	178.8	0	0	0	0	0	114.5	L513 H518 E533	L513-G515 VanDerWaalsContact C-N 3.3Å; L513-G515 PolarHBondContact O-N 2.91Å; G515-H518 PolarHBondContact O-CE1 3.13Å; G515-H518 PolarHBondContact O-ND1 3.41Å; G515-E533 WeakPolarHBondContact CA-OE2 3.43Å; G515-E533 VanDerWaalsContact N-CD 3.31Å; G515-E533 PolarHBondContact N-OE1 3.12Å; G515-E533 PolarHBondContact N-OE2 3.3Å
516	C	97.9	Very high	97.7	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-113	5	-174.3	-54.1	0	0	0	0	114.6	L513 P514 H518 L519 Y526 C529 C530 E533	L513-C516 HydrophobicContact CB-CB 4.49Å; L513-C516 PolarHBondContact O-N 2.92Å; P514-C516 VanDerWaalsContact C-N 3.26Å; P514-C516 PolarHBondContact O-N 3.35Å; C516-H518 PolarHBondContact O-N 3.03Å; C516-H518 VanDerWaalsContact O-N 3.13Å; C516-L519 PolarHBondContact O-N 3.43Å; C516-L519 VanDerWaalsContact O-N 3.09Å; C516-Y526 HydrophobicContact CB-CD2 3.82Å; C516-Y526 HydrophobicContact CB-CE2 3.77Å; C516-C529 WeakPolarHBondContact CA-SG 3.45Å; C516-C529 HydrophobicContact CB-CB 3.82Å; C516-C529 WeakPolarHBondContact CB-SG 3.17Å; C516-C529 WeakPolarHBondContact SG-CB 3.31Å; C516-C529 CovalentContact SG-SG 2.04Å; C516-C529 PolarHBondContact SG-SG 3.11Å; C516-C530 PolarHBondContact SG-N 3.42Å; C516-C530 VanDerWaalsContact SG-N 3.39Å; C516-E533 PolarHBondContact N-OE2 3.06Å; C516-E533 PolarHBondContact SG-OE2 3.27Å
517	R	97.3	Very high	97.7	Very high	140 Å²	140	60.7 Å²	60.7	53%	0.528	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-22.6	-177.8	-75.1	174.1	179.7	-178.3	-3.3	115.8	P512 L513 L519	P512-R517 HydrophobicContact CB-CG 4.09Å; L513-R517 PolarHBondContact O-N 3.25Å; R517-L519 PolarHBondContact O-N 3.1Å
518	H	97.7	Very high	97.7	Very high	146 Å²	146	56.1 Å²	56.1	68%	0.676	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-8	179.8	62.8	-79.9	0	0	0	112.6	G515 C516	G515-H518 PolarHBondContact O-CE1 3.13Å; G515-H518 PolarHBondContact O-ND1 3.41Å; C516-H518 PolarHBondContact O-N 3.03Å; C516-H518 VanDerWaalsContact O-N 3.13Å
519	L	98.4	Very high	97.7	Very high	44 Å²	44	55.9 Å²	55.9	23%	0.23	30%	0.295	C	S	.	.	S	Bend	trans	-102.7	148	179.6	-59.2	168.4	0	0	0	110.3	C516 R517 F521 E525 Y526 C529	C516-L519 PolarHBondContact O-N 3.43Å; C516-L519 VanDerWaalsContact O-N 3.09Å; R517-L519 PolarHBondContact O-N 3.1Å; L519-F521 PolarHBondContact O-N 2.84Å; L519-E525 HydrophobicContact CD1-CB 4.36Å; L519-E525 WeakPolarHBondContact CD1-O 3.18Å; L519-E525 HydrophobicContact CD2-CB 4.18Å; L519-Y526 HydrophobicContact CB-CD2 4.43Å; L519-C529 HydrophobicContact CD1-CB 3.53Å
520	P	98.2	Very high	97.8	Very high	94 Å²	94	55 Å²	55	61%	0.61	29%	0.291	S	S	*	.	P	Polyproline II helix	trans	-58	127.5	175.5	-22.4	33	0	0	0	111.1	Q522 S523 Y526	P520-Q522 PolarHBondContact O-N 2.79Å; P520-S523 VanDerWaalsContact O-CB 3.26Å; P520-S523 WeakPolarHBondContact O-CB 3.24Å; P520-S523 PolarHBondContact O-N 2.84Å; P520-S523 VanDerWaalsContact O-N 3.09Å; P520-S523 PolarHBondContact O-OG 3.09Å; P520-Y526 VanDerWaalsContact O-CB 3.23Å; P520-Y526 WeakPolarHBondContact O-CB 3.45Å
521	F	98.1	Very high	97.9	Very high	75 Å²	75	49.4 Å²	49.4	33%	0.329	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	135.3	-177.4	-175.1	-116.6	0	0	0	111.4	L508 N510 P512 L519 S523 Y526	L508-F521 HydrophobicContact CD2-CE1 4.43Å; L508-F521 HydrophobicContact CD2-CZ 4.06Å; N510-F521 HydrophobicContact CB-CE1 4.36Å; N510-F521 HydrophobicContact CB-CZ 4.34Å; P512-F521 HydrophobicContact CB-CD2 4.28Å; P512-F521 HydrophobicContact CG-CD2 4.06Å; P512-F521 HydrophobicContact CG-CE2 4.49Å; L519-F521 PolarHBondContact O-N 2.84Å; F521-S523 PolarHBondContact O-N 2.96Å; F521-Y526 HydrophobicContact CD2-CD1 4.39Å; F521-Y526 AromaticContact CD2-CE1 3.82Å; F521-Y526 HydrophobicContact CD2-CE1 3.82Å; F521-Y526 HydrophobicContact CD2-CE2 4.15Å; F521-Y526 AromaticContact CD2-CZ 3.7Å; F521-Y526 AromaticContact CE2-CE1 3.87Å; F521-Y526 HydrophobicContact CE2-CE1 3.87Å; F521-Y526 AromaticContact CE2-CZ 3.85Å
522	Q	97.3	Very high	97.9	Very high	88 Å²	88	50.2 Å²	50.2	41%	0.411	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.1	8.6	-175.3	-50	-172.5	51.4	0	0	117.1	L508 P520 W527	L508-Q522 HydrophobicContact CD2-CG 3.97Å; P520-Q522 PolarHBondContact O-N 2.79Å; Q522-W527 HydrophobicContact CB-CZ2 4.19Å; Q522-W527 HydrophobicContact CG-CZ2 3.87Å; Q522-W527 PolarHBondContact O-NE1 2.86Å
523	S	98.5	Very high	97.9	Very high	23 Å²	23	48.9 Å²	48.9	16%	0.161	25%	0.253	C	S	.	.	S	Bend	trans	-65.7	162	167.5	62.7	0	0	0	0	112	P520 F521 E525 Y526 W527	P520-S523 VanDerWaalsContact O-CB 3.26Å; P520-S523 WeakPolarHBondContact O-CB 3.24Å; P520-S523 PolarHBondContact O-N 2.84Å; P520-S523 VanDerWaalsContact O-N 3.09Å; P520-S523 PolarHBondContact O-OG 3.09Å; F521-S523 PolarHBondContact O-N 2.96Å; S523-E525 WeakPolarHBondContact CB-OE2 3.33Å; S523-E525 PolarHBondContact O-N 2.85Å; S523-Y526 PolarHBondContact O-N 2.9Å; S523-Y526 VanDerWaalsContact OG-CB 3.26Å; S523-Y526 WeakPolarHBondContact OG-CB 3.38Å; S523-Y526 PolarHBondContact OG-N 3.29Å; S523-Y526 VanDerWaalsContact OG-N 3.08Å; S523-W527 PolarHBondContact O-N 2.9Å
524	N	98.5	Very high	97.9	Very high	73 Å²	73	48.3 Å²	48.3	39%	0.39	25%	0.25	S	C	.	.	H	α-helix	trans	-59.3	-39.7	174.7	-70	-15.7	0	0	0	110.7	V486 K490 W527 A528	V486-N524 HydrophobicContact CG1-CB 4.25Å; K490-N524 WeakPolarHBondContact CE-OD1 3.4Å; K490-N524 PolarHBondContact NZ-OD1 3.48Å; N524-W527 PolarHBondContact O-N 2.98Å; N524-A528 WeakPolarHBondContact O-CB 3.46Å; N524-A528 PolarHBondContact O-N 2.8Å
525	E	98.5	Very high	98	Very high	113 Å²	113	46.1 Å²	46.1	53%	0.528	24%	0.236	S	C	.	.	H	α-helix	trans	-64.9	-42.8	179.1	-61.4	68.8	-149.5	0	0	110.5	L519 S523 A528 C529	L519-E525 HydrophobicContact CD1-CB 4.36Å; L519-E525 WeakPolarHBondContact CD1-O 3.18Å; L519-E525 HydrophobicContact CD2-CB 4.18Å; S523-E525 WeakPolarHBondContact CB-OE2 3.33Å; S523-E525 PolarHBondContact O-N 2.85Å; E525-A528 PolarHBondContact O-N 3.41Å; E525-C529 WeakPolarHBondContact O-CB 3.21Å; E525-C529 PolarHBondContact O-N 3.47Å
526	Y	98.7	Very high	98	Very high	7 Å²	7	45.7 Å²	45.7	3%	0.027	22%	0.224	C	C	.	.	H	α-helix	trans	-60.3	-45	174.9	174	-95.6	0	0	0	111.7	P512 L513 C516 L519 P520 F521 S523 C529 C530	P512-Y526 WeakPolarHBondContact CA-OH 3.34Å; P512-Y526 HydrophobicContact CB-CE2 3.96Å; L513-Y526 PolarHBondContact N-OH 3.19Å; C516-Y526 HydrophobicContact CB-CD2 3.82Å; C516-Y526 HydrophobicContact CB-CE2 3.77Å; L519-Y526 HydrophobicContact CB-CD2 4.43Å; P520-Y526 VanDerWaalsContact O-CB 3.23Å; P520-Y526 WeakPolarHBondContact O-CB 3.45Å; F521-Y526 HydrophobicContact CD2-CD1 4.39Å; F521-Y526 AromaticContact CD2-CE1 3.82Å; F521-Y526 HydrophobicContact CD2-CE1 3.82Å; F521-Y526 HydrophobicContact CD2-CE2 4.15Å; F521-Y526 AromaticContact CD2-CZ 3.7Å; F521-Y526 AromaticContact CE2-CE1 3.87Å; F521-Y526 HydrophobicContact CE2-CE1 3.87Å; F521-Y526 AromaticContact CE2-CZ 3.85Å; S523-Y526 PolarHBondContact O-N 2.9Å; S523-Y526 VanDerWaalsContact OG-CB 3.26Å; S523-Y526 WeakPolarHBondContact OG-CB 3.38Å; S523-Y526 PolarHBondContact OG-N 3.29Å; S523-Y526 VanDerWaalsContact OG-N 3.08Å; Y526-C529 WeakPolarHBondContact O-CB 3.43Å; Y526-C529 PolarHBondContact O-N 2.75Å; Y526-C530 WeakPolarHBondContact CE1-SG 3.5Å; Y526-C530 PolarHBondContact O-N 3.16Å; Y526-C530 PolarHBondContact O-SG 3.24Å
527	W	98.7	Very high	97.8	Very high	11 Å²	11	46 Å²	46	4%	0.042	23%	0.226	C	C	.	.	H	α-helix	trans	-68.6	-41	178.4	-68.6	128.4	0	0	0	112.8	L342 L345 V486 I489 I493 L508 Q522 S523 N524 C529 C530 I531	L342-W527 HydrophobicContact CD2-CE3 4.07Å; L342-W527 HydrophobicContact CD2-CZ3 4.09Å; L345-W527 HydrophobicContact CD1-CH2 4.09Å; L345-W527 HydrophobicContact CD1-CZ3 4.17Å; V486-W527 HydrophobicContact CG1-CB 4.31Å; V486-W527 HydrophobicContact CG2-CB 3.96Å; I489-W527 HydrophobicContact CD1-CB 4.03Å; I489-W527 HydrophobicContact CD1-CD2 4.38Å; I489-W527 HydrophobicContact CD1-CE3 4.22Å; I489-W527 HydrophobicContact CD1-CG 4.33Å; I489-W527 HydrophobicContact CG2-CD2 3.66Å; I489-W527 HydrophobicContact CG2-CE3 3.9Å; I489-W527 HydrophobicContact CG2-CG 4.1Å; I489-W527 HydrophobicContact CG2-CH2 4.3Å; I489-W527 HydrophobicContact CG2-CZ2 4.07Å; I489-W527 HydrophobicContact CG2-CZ3 4.22Å; I493-W527 HydrophobicContact CD1-CZ2 3.68Å; L508-W527 HydrophobicContact CD1-CH2 4.37Å; L508-W527 HydrophobicContact CD2-CH2 3.93Å; L508-W527 HydrophobicContact CD2-CZ2 3.89Å; Q522-W527 HydrophobicContact CB-CZ2 4.19Å; Q522-W527 HydrophobicContact CG-CZ2 3.87Å; Q522-W527 PolarHBondContact O-NE1 2.86Å; S523-W527 PolarHBondContact O-N 2.9Å; N524-W527 PolarHBondContact O-N 2.98Å; W527-C529 VanDerWaalsContact C-N 3.27Å; W527-C529 PolarHBondContact O-N 3.35Å; W527-C530 HydrophobicContact CE3-CB 4.19Å; W527-C530 WeakPolarHBondContact O-CB 3.45Å; W527-C530 PolarHBondContact O-N 3Å; W527-C530 VanDerWaalsContact O-N 3.13Å; W527-I531 WeakPolarHBondContact O-CD1 3.48Å; W527-I531 VanDerWaalsContact O-CG1 3.31Å; W527-I531 WeakPolarHBondContact O-CG1 3.25Å; W527-I531 PolarHBondContact O-N 2.83Å
528	A	98.5	Very high	97.5	Very high	19 Å²	19	40.1 Å²	40.1	16%	0.157	21%	0.205	C	C	.	.	H	α-helix	trans	-58.2	-40.2	172.8	0	0	0	0	0	112	I482 V486 N524 E525	I482-A528 HydrophobicContact CG2-CB 3.58Å; V486-A528 HydrophobicContact CG2-CB 4.32Å; N524-A528 WeakPolarHBondContact O-CB 3.46Å; N524-A528 PolarHBondContact O-N 2.8Å; E525-A528 PolarHBondContact O-N 3.41Å
529	C	98.4	Very high	97.4	Very high	23 Å²	23	35.2 Å²	35.2	16%	0.155	18%	0.181	C	C	.	.	H	α-helix	trans	-64.9	-47.2	172.6	177.4	0	0	0	0	111.5	C516 L519 E525 Y526 W527 I531 K532 E533	C516-C529 WeakPolarHBondContact CA-SG 3.45Å; C516-C529 HydrophobicContact CB-CB 3.82Å; C516-C529 WeakPolarHBondContact CB-SG 3.17Å; C516-C529 WeakPolarHBondContact SG-CB 3.31Å; C516-C529 CovalentContact SG-SG 2.04Å; C516-C529 PolarHBondContact SG-SG 3.11Å; L519-C529 HydrophobicContact CD1-CB 3.53Å; E525-C529 WeakPolarHBondContact O-CB 3.21Å; E525-C529 PolarHBondContact O-N 3.47Å; Y526-C529 WeakPolarHBondContact O-CB 3.43Å; Y526-C529 PolarHBondContact O-N 2.75Å; W527-C529 VanDerWaalsContact C-N 3.27Å; W527-C529 PolarHBondContact O-N 3.35Å; C529-I531 VanDerWaalsContact C-N 3.28Å; C529-I531 PolarHBondContact O-N 2.7Å; C529-K532 PolarHBondContact O-N 3.07Å; C529-K532 VanDerWaalsContact O-N 3.09Å; C529-E533 PolarHBondContact O-N 2.97Å
530	C	98.5	Very high	97.3	Very high	1 Å²	1	34 Å²	34	1%	0.007	17%	0.173	C	C	.	.	H	α-helix	trans	-58.1	-39.1	-179.6	-69.6	0	0	0	0	112.7	L342 L513 C516 Y526 W527 K532 E533 F534	L342-C530 HydrophobicContact CD1-CB 3.84Å; L342-C530 WeakPolarHBondContact CD1-O 3.5Å; L342-C530 HydrophobicContact CD2-CB 4.44Å; L513-C530 HydrophobicContact CD1-CB 3.87Å; C516-C530 PolarHBondContact SG-N 3.42Å; C516-C530 VanDerWaalsContact SG-N 3.39Å; Y526-C530 WeakPolarHBondContact CE1-SG 3.5Å; Y526-C530 PolarHBondContact O-N 3.16Å; Y526-C530 PolarHBondContact O-SG 3.24Å; W527-C530 HydrophobicContact CE3-CB 4.19Å; W527-C530 WeakPolarHBondContact O-CB 3.45Å; W527-C530 PolarHBondContact O-N 3Å; W527-C530 VanDerWaalsContact O-N 3.13Å; C530-K532 VanDerWaalsContact C-N 3.31Å; C530-K532 PolarHBondContact O-N 3.11Å; C530-E533 PolarHBondContact O-N 2.99Å; C530-F534 PolarHBondContact O-N 2.84Å
531	I	98.4	Very high	97.3	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-60.1	-40	177.8	-70.5	158.5	0	0	0	111.5	L342 F476 I482 L485 V486 I489 W527 C529 T535	L342-I531 HydrophobicContact CB-CG1 4.17Å; F476-I531 HydrophobicContact CD1-CG2 4.18Å; F476-I531 HydrophobicContact CE1-CG2 3.47Å; F476-I531 VanDerWaalsContact CE1-CG2 3.47Å; F476-I531 HydrophobicContact CE2-CG2 3.86Å; F476-I531 HydrophobicContact CZ-CG2 3.28Å; I482-I531 HydrophobicContact CG2-CD1 4.06Å; L485-I531 HydrophobicContact CB-CD1 3.56Å; L485-I531 HydrophobicContact CB-CG1 4.33Å; L485-I531 HydrophobicContact CD1-CD1 4.45Å; L485-I531 HydrophobicContact CD1-CG2 3.87Å; V486-I531 HydrophobicContact CG2-CD1 3.87Å; I489-I531 HydrophobicContact CD1-CD1 3.9Å; I489-I531 HydrophobicContact CD1-CG1 3.97Å; W527-I531 WeakPolarHBondContact O-CD1 3.48Å; W527-I531 VanDerWaalsContact O-CG1 3.31Å; W527-I531 WeakPolarHBondContact O-CG1 3.25Å; W527-I531 PolarHBondContact O-N 2.83Å; C529-I531 VanDerWaalsContact C-N 3.28Å; C529-I531 PolarHBondContact O-N 2.7Å; I531-T535 VanDerWaalsContact O-CA 3.25Å; I531-T535 WeakPolarHBondContact O-CA 3.19Å; I531-T535 PolarHBondContact O-N 3.21Å; I531-T535 PolarHBondContact O-OG1 2.92Å
532	K	97.7	Very high	97.4	Very high	64 Å²	64	26 Å²	26	28%	0.278	13%	0.129	S	C	.	.	H	α-helix	trans	-75	-37.5	176.9	-61.1	179.8	-175.1	176.6	0	111.8	Q110 Y111 C112 Q113 F476 C529 C530 T535	Q110-K532 WeakPolarHBondContact O-CB 3.28Å; Q110-K532 WeakPolarHBondContact O-CG 3.42Å; Y111-K532 CarbonylContact C-O 3.47Å; C112-K532 PolarHBondContact N-O 3.02Å; Q113-K532 WeakPolarHBondContact CG-O 3.49Å; Q113-K532 PolarHBondContact N-O 3.28Å; F476-K532 HydrophobicContact CD2-CG 4.47Å; C529-K532 PolarHBondContact O-N 3.07Å; C529-K532 VanDerWaalsContact O-N 3.09Å; C530-K532 VanDerWaalsContact C-N 3.31Å; C530-K532 PolarHBondContact O-N 3.11Å; K532-T535 PolarHBondContact O-OG1 2.86Å
533	E	97.5	Very high	97.4	Very high	12 Å²	12	21.8 Å²	21.8	6%	0.056	11%	0.11	C	C	.	.	H	α-helix	trans	-68.2	-60	179.9	-171.6	168.7	-179.9	0	0	110.8	Q113 A114 F429 L513 G515 C516 C529 C530	Q113-E533 PolarHBondContact N-O 2.89Å; Q113-E533 VanDerWaalsContact N-O 3.13Å; A114-E533 HydrophobicContact CB-CG 4.17Å; A114-E533 WeakPolarHBondContact CB-O 3.47Å; A114-E533 PolarHBondContact N-O 3.47Å; F429-E533 HydrophobicContact CE2-CG 4.11Å; L513-E533 VanDerWaalsContact CB-OE2 3.31Å; L513-E533 WeakPolarHBondContact CB-OE2 3.42Å; L513-E533 HydrophobicContact CD1-CB 4.35Å; L513-E533 HydrophobicContact CD1-CG 4.45Å; G515-E533 WeakPolarHBondContact CA-OE2 3.43Å; G515-E533 VanDerWaalsContact N-CD 3.31Å; G515-E533 PolarHBondContact N-OE1 3.12Å; G515-E533 PolarHBondContact N-OE2 3.3Å; C516-E533 PolarHBondContact N-OE2 3.06Å; C516-E533 PolarHBondContact SG-OE2 3.27Å; C529-E533 PolarHBondContact O-N 2.97Å; C530-E533 PolarHBondContact O-N 2.99Å
534	F	97.8	Very high	97.4	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.9	67.2	176.7	-162.5	168.4	0	0	0	110.9	M115 L342 G343 I411 L423 L425 F429 Y434 L513 C530 F536	M115-F534 HydrophobicContact CE-CD2 3.44Å; M115-F534 VanDerWaalsContact CE-CD2 3.44Å; M115-F534 HydrophobicContact CE-CE2 3.6Å; L342-F534 HydrophobicContact CD1-CB 4.36Å; G343-F534 PolarHBondContact N-O 2.83Å; G343-F534 WeakPolarHBondContact O-CD1 3.45Å; G343-F534 WeakPolarHBondContact O-CG 3.26Å; I411-F534 HydrophobicContact CD1-CZ 4.25Å; I411-F534 HydrophobicContact CG1-CE1 4.25Å; I411-F534 HydrophobicContact CG1-CZ 4.38Å; L423-F534 HydrophobicContact CD1-CE2 4.46Å; L423-F534 HydrophobicContact CD1-CZ 4Å; L425-F534 HydrophobicContact CD1-CE1 4.24Å; L425-F534 HydrophobicContact CD1-CZ 3.91Å; L425-F534 HydrophobicContact CD2-CD2 4.2Å; L425-F534 HydrophobicContact CD2-CE1 4.24Å; L425-F534 HydrophobicContact CD2-CE2 3.76Å; L425-F534 HydrophobicContact CD2-CZ 3.79Å; L425-F534 HydrophobicContact CG-CZ 4.35Å; F429-F534 AromaticContact CE1-CD1 3.72Å; F429-F534 HydrophobicContact CE1-CD1 3.72Å; F429-F534 HydrophobicContact CE1-CE1 4.08Å; F429-F534 HydrophobicContact CE1-CG 4.31Å; F429-F534 HydrophobicContact CZ-CB 4.12Å; F429-F534 AromaticContact CZ-CD1 3.77Å; F429-F534 HydrophobicContact CZ-CD1 3.77Å; F429-F534 HydrophobicContact CZ-CG 4.2Å; Y434-F534 HydrophobicContact CE2-CD1 4.25Å; Y434-F534 AromaticContact CE2-CE1 3.75Å; Y434-F534 HydrophobicContact CE2-CE1 3.75Å; Y434-F534 AromaticContact CZ-CE1 3.86Å; Y434-F534 WeakPolarHBondContact OH-CD1 3.12Å; Y434-F534 VanDerWaalsContact OH-CE1 3.31Å; Y434-F534 WeakPolarHBondContact OH-CE1 3.43Å; L513-F534 HydrophobicContact CD1-CB 4.21Å; C530-F534 PolarHBondContact O-N 2.84Å; F534-F536 HydrophobicContact CE2-CD2 4.24Å; F534-F536 PolarHBondContact O-N 2.69Å
535	T	98.1	Very high	97.5	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	126.9	171.8	-52.2	0	0	0	0	111.1	Y111 C112 M115 V340 Y475 F476 I531 K532	Y111-T535 WeakPolarHBondContact CA-OG1 3.49Å; C112-T535 PolarHBondContact N-OG1 3.43Å; M115-T535 WeakPolarHBondContact CE-O 3.45Å; V340-T535 HydrophobicContact CG2-CG2 3.46Å; V340-T535 VanDerWaalsContact CG2-CG2 3.46Å; Y475-T535 HydrophobicContact CD2-CG2 3.9Å; Y475-T535 HydrophobicContact CE2-CG2 4.16Å; F476-T535 HydrophobicContact CE2-CG2 3.65Å; F476-T535 HydrophobicContact CZ-CG2 3.84Å; I531-T535 VanDerWaalsContact O-CA 3.25Å; I531-T535 WeakPolarHBondContact O-CA 3.19Å; I531-T535 PolarHBondContact O-N 3.21Å; I531-T535 PolarHBondContact O-OG1 2.92Å; K532-T535 PolarHBondContact O-OG1 2.86Å
536	F	96	Very high	97.5	Very high	27 Å²	27	14.1 Å²	14.1	12%	0.118	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	122.3	179.7	-167.8	-84.8	0	0	0	111.3	V340 G341 G343 L423 L446 F534 I538	V340-F536 CarbonylContact C-O 3.51Å; V340-F536 VanDerWaalsContact CA-O 3.31Å; V340-F536 WeakPolarHBondContact CA-O 3.38Å; V340-F536 WeakPolarHBondContact CG2-O 3.4Å; G341-F536 PolarHBondContact N-O 2.91Å; G341-F536 PolarHBondContact O-N 2.73Å; G343-F536 VanDerWaalsContact CA-CB 3.41Å; L423-F536 HydrophobicContact CD1-CE2 4.23Å; L423-F536 HydrophobicContact CD2-CD2 4.12Å; L423-F536 HydrophobicContact CD2-CE2 3.42Å; L423-F536 VanDerWaalsContact CD2-CE2 3.42Å; L423-F536 HydrophobicContact CD2-CZ 4.24Å; L423-F536 HydrophobicContact CG-CE2 4.48Å; L446-F536 HydrophobicContact CD1-CD1 4.26Å; L446-F536 HydrophobicContact CD1-CE1 3.6Å; L446-F536 HydrophobicContact CD1-CZ 3.95Å; L446-F536 HydrophobicContact CD2-CD1 4.27Å; L446-F536 HydrophobicContact CD2-CE1 4.24Å; L446-F536 HydrophobicContact CD2-CG 4.48Å; L446-F536 HydrophobicContact CD2-CZ 4.39Å; F534-F536 HydrophobicContact CE2-CD2 4.24Å; F534-F536 PolarHBondContact O-N 2.69Å; F536-I538 HydrophobicContact CD1-CG2 4.13Å; F536-I538 HydrophobicContact CE1-CG2 3.75Å
537	T	93.9	Very high	97.5	Very high	5 Å²	5	13.8 Å²	13.8	3%	0.031	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	140.9	170.2	168.8	0	0	0	0	109.8	D338 Y475 Y539	D338-T537 PolarHBondContact OD1-OG1 3Å; D338-T537 VanDerWaalsContact OD2-CB 3.26Å; D338-T537 WeakPolarHBondContact OD2-CB 3.46Å; D338-T537 PolarHBondContact OD2-OG1 2.82Å; Y475-T537 VanDerWaalsContact OH-CB 3.26Å; Y475-T537 WeakPolarHBondContact OH-CB 3.27Å; T537-Y539 VanDerWaalsContact C-N 3.26Å; T537-Y539 HydrophobicContact CG2-CD1 3.68Å; T537-Y539 HydrophobicContact CG2-CE1 3.63Å; T537-Y539 WeakPolarHBondContact O-CE1 3.22Å; T537-Y539 PolarHBondContact OG1-N 2.7Å
538	I	91	Very high	97.5	Very high	18 Å²	18	13.2 Å²	13.2	9%	0.092	6%	0.064	C	C	.	.			trans	-92.8	16.2	169.6	54.2	177.2	0	0	0	112.5	H339 L448 F536 H540	H339-I538 HydrophobicContact CB-CD1 3.56Å; H339-I538 HydrophobicContact CB-CG1 3.59Å; H339-I538 PolarHBondContact O-N 3.24Å; L448-I538 HydrophobicContact CB-CD1 4.47Å; L448-I538 HydrophobicContact CD1-CD1 3.59Å; L448-I538 HydrophobicContact CD1-CG2 4.08Å; L448-I538 HydrophobicContact CD2-CB 4.38Å; L448-I538 HydrophobicContact CD2-CD1 3.89Å; L448-I538 HydrophobicContact CD2-CG1 4.16Å; L448-I538 HydrophobicContact CD2-CG2 3.41Å; L448-I538 VanDerWaalsContact CD2-CG2 3.41Å; L448-I538 HydrophobicContact CG-CD1 4.14Å; L448-I538 HydrophobicContact CG-CG2 4.34Å; F536-I538 HydrophobicContact CD1-CG2 4.13Å; F536-I538 HydrophobicContact CE1-CG2 3.75Å; I538-H540 WeakPolarHBondContact CD1-CE1 3.35Å; I538-H540 WeakPolarHBondContact CD1-ND1 3.45Å; I538-H540 HydrophobicContact CG1-CB 4.49Å; I538-H540 WeakPolarHBondContact CG1-ND1 3.32Å; I538-H540 PolarHBondContact O-CD2 2.96Å; I538-H540 PolarHBondContact O-NE2 2.82Å
539	Y	94.5	Very high	97.5	Very high	43 Å²	43	12.6 Å²	12.6	17%	0.169	6%	0.058	C	C	.	.	S	Bend	trans	64.5	46.8	171.8	-38.1	-48.2	0	0	0	112.9	F121 P123 R124 T537 P541	F121-Y539 WeakPolarHBondContact O-CE1 3.3Å; P123-Y539 HydrophobicContact CG-CD1 3.9Å; P123-Y539 HydrophobicContact CG-CD2 3.56Å; P123-Y539 HydrophobicContact CG-CE1 3.8Å; P123-Y539 HydrophobicContact CG-CE2 3.43Å; P123-Y539 VanDerWaalsContact CG-CE2 3.43Å; P123-Y539 HydrophobicContact CG-CG 3.76Å; R124-Y539 PolarHBondContact NH1-O 3.39Å; T537-Y539 VanDerWaalsContact C-N 3.26Å; T537-Y539 HydrophobicContact CG2-CD1 3.68Å; T537-Y539 HydrophobicContact CG2-CE1 3.63Å; T537-Y539 WeakPolarHBondContact O-CE1 3.22Å; T537-Y539 PolarHBondContact OG1-N 2.7Å; Y539-P541 WeakPolarHBondContact O-CD 3.47Å
540	H	97.5	Very high	97.4	Very high	17 Å²	17	16.1 Å²	16.1	8%	0.079	8%	0.083	C	C	.	.			trans	-110.8	47.8	-179.1	-66.2	179.8	0	0	0	113.3	D338 H339 I538 A542 I580 N584 P585	D338-H540 WeakPolarHBondContact OD1-CA 3.44Å; D338-H540 PolarHBondContact OD1-N 3.28Å; H339-H540 HydrophobicContact CB-CB 4.38Å; H339-H540 AromaticContact CG-ND1 3.87Å; H339-H540 AromaticContact ND1-ND1 3.21Å; H339-H540 PolarHBondContact ND1-ND1 3.29Å; I538-H540 WeakPolarHBondContact CD1-CE1 3.35Å; I538-H540 WeakPolarHBondContact CD1-ND1 3.45Å; I538-H540 HydrophobicContact CG1-CB 4.49Å; I538-H540 WeakPolarHBondContact CG1-ND1 3.32Å; I538-H540 PolarHBondContact O-CD2 2.96Å; I538-H540 PolarHBondContact O-NE2 2.82Å; H540-A542 PolarHBondContact O-N 2.85Å; H540-I580 HydrophobicContact CB-CD1 3.98Å; H540-I580 WeakPolarHBondContact O-CD1 3.25Å; H540-N584 PolarHBondContact CE1-ND2 2.9Å; H540-N584 VanDerWaalsContact CE1-ND2 3.28Å; H540-N584 PolarHBondContact NE2-ND2 3.33Å; H540-P585 HydrophobicContact CB-CG 3.8Å; H540-P585 WeakPolarHBondContact CD2-CD 3.36Å; H540-P585 VanDerWaalsContact CE1-CD 3.43Å; H540-P585 WeakPolarHBondContact CE1-CD 3.09Å; H540-P585 VanDerWaalsContact ND1-CD 3.26Å; H540-P585 WeakPolarHBondContact ND1-CD 3.33Å; H540-P585 WeakPolarHBondContact NE2-CD 3.43Å
541	P	97.9	Very high	97.4	Very high	2 Å²	2	25.5 Å²	25.5	1%	0.013	12%	0.118	C	C	.	.			trans	-61.5	134.2	176.9	27.8	-33.8	0	0	0	111.1	W122 A301 L302 Q337 Y539	W122-P541 HydrophobicContact CE3-CB 4.41Å; W122-P541 HydrophobicContact CH2-CB 4.15Å; W122-P541 HydrophobicContact CZ3-CB 3.71Å; W122-P541 HydrophobicContact CZ3-CG 4.28Å; A301-P541 HydrophobicContact CB-CB 4.01Å; A301-P541 HydrophobicContact CB-CG 4.26Å; A301-P541 WeakPolarHBondContact CB-O 3.35Å; L302-P541 HydrophobicContact CD1-CG 4.42Å; L302-P541 HydrophobicContact CD2-CB 3.84Å; L302-P541 HydrophobicContact CD2-CG 4.24Å; L302-P541 HydrophobicContact CG-CB 4.39Å; L302-P541 HydrophobicContact CG-CG 4.26Å; Q337-P541 CarbonylContact O-C 3.55Å; Q337-P541 VanDerWaalsContact O-CA 3.25Å; Q337-P541 WeakPolarHBondContact O-CA 3.46Å; Y539-P541 WeakPolarHBondContact O-CD 3.47Å
542	A	98.6	Very high	97.4	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.127	C	C	.	.	B	Isolated β-bridge	trans	-147.2	168.8	-179.5	0	0	0	0	0	111.3	M336 Q337 H540 T544 A574 M577 I580	M336-A542 WeakPolarHBondContact CA-O 3.41Å; Q337-A542 PolarHBondContact N-O 2.89Å; Q337-A542 PolarHBondContact O-N 3.32Å; H540-A542 PolarHBondContact O-N 2.85Å; A542-T544 PolarHBondContact O-N 2.92Å; A542-A574 WeakPolarHBondContact CA-O 3.15Å; A542-A574 HydrophobicContact CB-CB 4.3Å; A542-A574 WeakPolarHBondContact CB-O 3.32Å; A542-M577 HydrophobicContact CB-CB 4.35Å; A542-M577 HydrophobicContact CB-SD 4.03Å; A542-I580 HydrophobicContact CB-CB 4.32Å; A542-I580 HydrophobicContact CB-CD1 4.28Å; A542-I580 HydrophobicContact CB-CG1 4.17Å
543	G	98.6	Very high	97.4	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.151	C	C	.	.			trans	81.4	-0.4	165	0	0	0	0	0	118.3	N335 C545 R546 A574 S575 M577	N335-G543 PolarHBondContact ND2-O 3.25Å; N335-G543 CarbonylContact O-C 3.5Å; N335-G543 WeakPolarHBondContact O-CA 3.46Å; G543-C545 PolarHBondContact O-N 2.87Å; G543-C545 VanDerWaalsContact O-N 3.16Å; G543-R546 PolarHBondContact O-N 3.08Å; G543-A574 PolarHBondContact N-O 3.5Å; G543-S575 CarbonylContact C-O 3.51Å; G543-S575 WeakPolarHBondContact CA-O 3.23Å; G543-S575 PolarHBondContact N-O 2.91Å; G543-M577 WeakPolarHBondContact CA-O 3.38Å
544	T	98.8	Very high	97.4	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.006	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-7.9	-176.5	57.2	0	0	0	0	116.5	A301 G333 N334 M336 V458 A542 S575	A301-T544 WeakPolarHBondContact O-CB 3.11Å; A301-T544 WeakPolarHBondContact O-CG2 3.36Å; A301-T544 PolarHBondContact O-OG1 3.12Å; G333-T544 WeakPolarHBondContact CA-O 3.38Å; G333-T544 PolarHBondContact N-O 2.95Å; N334-T544 VanDerWaalsContact O-CA 3.25Å; N334-T544 WeakPolarHBondContact O-CA 3.16Å; M336-T544 HydrophobicContact CB-CG2 3.73Å; M336-T544 HydrophobicContact CG-CG2 3.7Å; V458-T544 HydrophobicContact CG2-CG2 3.81Å; A542-T544 PolarHBondContact O-N 2.92Å; T544-S575 PolarHBondContact N-O 3.37Å; T544-S575 VanDerWaalsContact N-O 3.15Å; T544-S575 WeakPolarHBondContact OG1-CB 3.42Å
545	C	98.9	Very high	97.4	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-138.4	49.8	174.2	-64.3	0	0	0	0	108.6	G543 M547 V556 V571 S575 I576	G543-C545 PolarHBondContact O-N 2.87Å; G543-C545 VanDerWaalsContact O-N 3.16Å; C545-M547 PolarHBondContact O-N 2.77Å; C545-V556 HydrophobicContact CB-CB 4.2Å; C545-V556 HydrophobicContact CB-CG1 3.91Å; C545-V571 HydrophobicContact CB-CG1 4.11Å; C545-V571 HydrophobicContact CB-CG2 4.48Å; C545-S575 CarbonylContact C-O 3.47Å; C545-S575 WeakPolarHBondContact CA-O 3.11Å; C545-S575 PolarHBondContact N-O 2.96Å; C545-I576 WeakPolarHBondContact O-CA 2.92Å
546	R	98.8	Very high	97.5	Very high	46 Å²	46	33 Å²	33	17%	0.174	17%	0.169	C	C	.	.			trans	-39.1	130.9	-172.6	172.4	167.3	178	143.7	-4.3	114	G543 D552 T554 A555 V556 V557 S575 P578	G543-R546 PolarHBondContact O-N 3.08Å; R546-D552 IonicContact CZ-OD2 2.66Å; R546-D552 IonicContact NE-OD2 3.56Å; R546-D552 IonicContact NH2-OD2 3.07Å; R546-T554 PolarHBondContact NE-OG1 2.94Å; R546-A555 CarbonylContact O-C 3.6Å; R546-A555 WeakPolarHBondContact O-CA 3.34Å; R546-V556 PolarHBondContact O-N 2.85Å; R546-V557 PolarHBondContact O-N 3.26Å; R546-S575 PolarHBondContact N-O 2.88Å; R546-P578 HydrophobicContact CG-CB 4.45Å
547	M	98.8	Very high	97.6	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.163	C	C	.	.	B	Isolated β-bridge	trans	-78.8	140	168.6	-176.7	-179.2	57.8	0	0	110.6	N155 W158 C545 V557 L561 I576 P578	N155-M547 HydrophobicContact CB-CE 3.79Å; N155-M547 HydrophobicContact CB-SD 4.38Å; N155-M547 WeakPolarHBondContact OD1-CG 3.28Å; W158-M547 HydrophobicContact CB-CE 4.4Å; W158-M547 HydrophobicContact CD2-CE 3.59Å; W158-M547 HydrophobicContact CD2-SD 3.91Å; W158-M547 HydrophobicContact CE3-CE 4.22Å; W158-M547 HydrophobicContact CG-CE 3.69Å; W158-M547 HydrophobicContact CG-SD 4.19Å; W158-M547 HydrophobicContact CZ2-CE 4.36Å; W158-M547 HydrophobicContact CZ2-SD 3.72Å; W158-M547 PolarHBondContact NE1-SD 3.27Å; C545-M547 PolarHBondContact O-N 2.77Å; M547-V557 WeakPolarHBondContact CA-O 3.46Å; M547-V557 HydrophobicContact CB-CG2 3.83Å; M547-V557 HydrophobicContact CG-CG2 4.21Å; M547-L561 HydrophobicContact SD-CD2 3.86Å; M547-I576 HydrophobicContact CB-CB 4.31Å; M547-I576 HydrophobicContact CB-CD1 4.5Å; M547-I576 WeakPolarHBondContact CB-O 3.4Å; M547-I576 HydrophobicContact CE-CD1 4.29Å; M547-I576 PolarHBondContact N-O 2.99Å; M547-I576 HydrophobicContact SD-CD1 4.36Å; M547-P578 HydrophobicContact CB-CG 4.26Å; M547-P578 HydrophobicContact CE-CG 4.02Å; M547-P578 WeakPolarHBondContact O-CG 3.34Å
548	G	98.7	Very high	97.9	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.165	C	C	.	.			trans	-169.6	169.1	174.2	0	0	0	0	0	112.2	N155 V557 Y564	N155-G548 VanDerWaalsContact OD1-CA 3.28Å; N155-G548 WeakPolarHBondContact OD1-CA 3.22Å; N155-G548 PolarHBondContact OD1-N 3.28Å; G548-V557 PolarHBondContact N-O 3.24Å; G548-Y564 PolarHBondContact O-OH 2.96Å
549	P	98.4	Very high	98.2	Very high	6 Å²	6	32.4 Å²	32.4	4%	0.039	17%	0.168	C	C	.	.			trans	-69.5	165.7	173.5	31.8	-37	0	0	0	111.5	L153 W551 D552 Y564	L153-P549 WeakPolarHBondContact O-CD 3.47Å; P549-W551 HydrophobicContact CB-CD2 3.76Å; P549-W551 VanDerWaalsContact CB-CE2 3.49Å; P549-W551 HydrophobicContact CB-CE3 3.87Å; P549-W551 HydrophobicContact CB-CH2 3.53Å; P549-W551 HydrophobicContact CB-CZ2 3.39Å; P549-W551 HydrophobicContact CB-CZ3 3.77Å; P549-W551 HydrophobicContact CG-CD2 3.92Å; P549-W551 HydrophobicContact CG-CG 4.37Å; P549-W551 HydrophobicContact CG-CH2 4.17Å; P549-W551 HydrophobicContact CG-CZ2 3.49Å; P549-W551 VanDerWaalsContact CG-CZ2 3.49Å; P549-W551 PolarHBondContact O-N 3.12Å; P549-D552 HydrophobicContact CG-CB 4.11Å; P549-D552 WeakPolarHBondContact O-CB 3.38Å; P549-D552 PolarHBondContact O-N 3.35Å; P549-Y564 VanDerWaalsContact C-OH 3.31Å
550	S	97.7	Very high	98.4	Very high	96 Å²	96	33 Å²	33	67%	0.671	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-15	-172.6	57.9	0	0	0	0	115.2	Y564	S550-Y564 VanDerWaalsContact CA-OH 3.29Å; S550-Y564 WeakPolarHBondContact CA-OH 3.48Å; S550-Y564 PolarHBondContact N-OH 2.91Å; S550-Y564 VanDerWaalsContact N-OH 3.09Å
551	W	97.8	Very high	98.5	Very high	198 Å²	198	32.2 Å²	32.2	75%	0.75	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-9.9	174.8	60.2	81.3	0	0	0	113.2	P549 V553	P549-W551 HydrophobicContact CB-CD2 3.76Å; P549-W551 VanDerWaalsContact CB-CE2 3.49Å; P549-W551 HydrophobicContact CB-CE3 3.87Å; P549-W551 HydrophobicContact CB-CH2 3.53Å; P549-W551 HydrophobicContact CB-CZ2 3.39Å; P549-W551 HydrophobicContact CB-CZ3 3.77Å; P549-W551 HydrophobicContact CG-CD2 3.92Å; P549-W551 HydrophobicContact CG-CG 4.37Å; P549-W551 HydrophobicContact CG-CH2 4.17Å; P549-W551 HydrophobicContact CG-CZ2 3.49Å; P549-W551 VanDerWaalsContact CG-CZ2 3.49Å; P549-W551 PolarHBondContact O-N 3.12Å; W551-V553 PolarHBondContact O-N 3.38Å
552	D	98.2	Very high	98.5	Very high	34 Å²	34	37.6 Å²	37.6	18%	0.182	19%	0.187	C	C	.	.			trans	-79.6	101.1	172.4	-177.7	-2.4	0	0	0	109.1	R546 P549 T554 A555	R546-D552 IonicContact CZ-OD2 2.66Å; R546-D552 IonicContact NE-OD2 3.56Å; R546-D552 IonicContact NH2-OD2 3.07Å; P549-D552 HydrophobicContact CG-CB 4.11Å; P549-D552 WeakPolarHBondContact O-CB 3.38Å; P549-D552 PolarHBondContact O-N 3.35Å; D552-T554 VanDerWaalsContact CG-OG1 3.3Å; D552-T554 PolarHBondContact O-N 3.05Å; D552-T554 VanDerWaalsContact O-N 3.08Å; D552-T554 WeakPolarHBondContact OD1-CA 3.34Å; D552-T554 WeakPolarHBondContact OD1-CB 3.25Å; D552-T554 PolarHBondContact OD1-N 3Å; D552-T554 PolarHBondContact OD1-OG1 3.01Å; D552-T554 PolarHBondContact OD2-OG1 3.14Å; D552-A555 HydrophobicContact CB-CB 4.16Å; D552-A555 VanDerWaalsContact O-CB 3.27Å; D552-A555 WeakPolarHBondContact O-CB 3.23Å; D552-A555 PolarHBondContact O-N 3.48Å
553	V	97.6	Very high	98.6	Very high	131 Å²	131	37.8 Å²	37.8	79%	0.794	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-11.9	178.7	-60.6	0	0	0	0	113.5	W551	W551-V553 PolarHBondContact O-N 3.38Å
554	T	98	Very high	98.6	Very high	64 Å²	64	40.5 Å²	40.5	39%	0.393	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-5.9	175.4	75.8	0	0	0	0	113	P331 R546 D552	P331-T554 VanDerWaalsContact CG-O 3.31Å; P331-T554 WeakPolarHBondContact CG-O 3.41Å; R546-T554 PolarHBondContact NE-OG1 2.94Å; D552-T554 VanDerWaalsContact CG-OG1 3.3Å; D552-T554 PolarHBondContact O-N 3.05Å; D552-T554 VanDerWaalsContact O-N 3.08Å; D552-T554 WeakPolarHBondContact OD1-CA 3.34Å; D552-T554 WeakPolarHBondContact OD1-CB 3.25Å; D552-T554 PolarHBondContact OD1-N 3Å; D552-T554 PolarHBondContact OD1-OG1 3.01Å; D552-T554 PolarHBondContact OD2-OG1 3.14Å
555	A	98.7	Very high	98.5	Very high	4 Å²	4	42.7 Å²	42.7	3%	0.033	22%	0.222	C	C	.	.			trans	-80.4	141.3	-180	0	0	0	0	0	112.6	R546 D552 Y564	R546-A555 CarbonylContact O-C 3.6Å; R546-A555 WeakPolarHBondContact O-CA 3.34Å; D552-A555 HydrophobicContact CB-CB 4.16Å; D552-A555 VanDerWaalsContact O-CB 3.27Å; D552-A555 WeakPolarHBondContact O-CB 3.23Å; D552-A555 PolarHBondContact O-N 3.48Å; A555-Y564 HydrophobicContact CB-CD2 4.47Å; A555-Y564 HydrophobicContact CB-CE2 4.05Å
556	V	98.9	Very high	98.5	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.227	C	C	.	.	S	Bend	trans	-105.5	-35.1	173.9	173.2	0	0	0	0	110.8	L308 L330 P331 V332 C545 R546 Y564	L308-V556 HydrophobicContact CD1-CG1 4.43Å; L330-V556 HydrophobicContact CD1-CG1 4.23Å; P331-V556 HydrophobicContact CG-CG2 4.04Å; V332-V556 HydrophobicContact CG2-CG1 3.75Å; V332-V556 HydrophobicContact CG2-CG2 4.05Å; C545-V556 HydrophobicContact CB-CB 4.2Å; C545-V556 HydrophobicContact CB-CG1 3.91Å; R546-V556 PolarHBondContact O-N 2.85Å; V556-Y564 PolarHBondContact O-N 2.62Å
557	V	98.9	Very high	98.5	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-124.2	150.9	176.7	-57.1	0	0	0	0	111.9	R546 M547 G548 L561 R562 V563 Y564 V571 I576	R546-V557 PolarHBondContact O-N 3.26Å; M547-V557 WeakPolarHBondContact CA-O 3.46Å; M547-V557 HydrophobicContact CB-CG2 3.83Å; M547-V557 HydrophobicContact CG-CG2 4.21Å; G548-V557 PolarHBondContact N-O 3.24Å; V557-L561 HydrophobicContact CG2-CD2 4.26Å; V557-R562 CarbonylContact C-O 3.57Å; V557-R562 WeakPolarHBondContact CA-O 3.04Å; V557-R562 WeakPolarHBondContact CB-O 3.26Å; V557-V563 HydrophobicContact CG1-CG2 4.01Å; V557-Y564 VanDerWaalsContact C-CE2 3.49Å; V557-V571 HydrophobicContact CG1-CB 3.86Å; V557-V571 HydrophobicContact CG1-CG2 3.85Å; V557-I576 HydrophobicContact CG2-CB 4.13Å; V557-I576 HydrophobicContact CG2-CG2 3.88Å
558	D	98.8	Very high	98.5	Very high	13 Å²	13	44.5 Å²	44.5	7%	0.07	24%	0.243	C	C	.	.			trans	-77.2	173.6	173.3	76.7	7.4	0	0	0	112.1	R560 L561 R562 Y564	D558-R560 PolarHBondContact O-N 2.94Å; D558-R560 VanDerWaalsContact OD1-CA 3.24Å; D558-R560 WeakPolarHBondContact OD1-CA 3.27Å; D558-R560 WeakPolarHBondContact OD1-CB 3.45Å; D558-R560 PolarHBondContact OD1-N 2.91Å; D558-L561 WeakPolarHBondContact O-CA 3.47Å; D558-L561 PolarHBondContact O-N 2.78Å; D558-L561 PolarHBondContact OD1-N 3.02Å; D558-R562 PolarHBondContact N-O 3.44Å; D558-R562 PolarHBondContact OD1-N 3.02Å; D558-R562 IonicContact OD1-NE 2.7Å; D558-R562 IonicContact OD2-CZ 2.97Å; D558-R562 IonicContact OD2-NE 3.44Å; D558-R562 PolarHBondContact OD2-NE 3.23Å; D558-R562 IonicContact OD2-NH2 3.94Å; D558-R562 PolarHBondContact OD2-NH2 3.37Å; D558-Y564 WeakPolarHBondContact CA-OH 3.42Å; D558-Y564 HydrophobicContact CB-CE1 3.97Å; D558-Y564 HydrophobicContact CB-CE2 4.03Å; D558-Y564 VanDerWaalsContact CB-CZ 3.49Å; D558-Y564 VanDerWaalsContact CB-OH 3.23Å; D558-Y564 WeakPolarHBondContact CB-OH 3.43Å
559	P	98.7	Very high	98.5	Very high	25 Å²	25	44.7 Å²	44.7	16%	0.162	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-11.9	178.6	-25.9	36.6	0	0	0	115	N155 P156 W158	N155-P559 HydrophobicContact CB-CB 4.47Å; P156-P559 HydrophobicContact CG-CB 4.42Å; W158-P559 PolarHBondContact NE1-O 3.47Å
560	R	98.7	Very high	98.6	Very high	57 Å²	57	44.6 Å²	44.6	22%	0.215	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	10.4	171.1	-60.3	-170.9	71.1	81.6	2.8	112.1	D558 R562 R570 L599 E602 D603	D558-R560 PolarHBondContact O-N 2.94Å; D558-R560 VanDerWaalsContact OD1-CA 3.24Å; D558-R560 WeakPolarHBondContact OD1-CA 3.27Å; D558-R560 WeakPolarHBondContact OD1-CB 3.45Å; D558-R560 PolarHBondContact OD1-N 2.91Å; R560-R562 VanDerWaalsContact C-N 3.28Å; R560-R562 HydrophobicContact CB-CG 4.46Å; R560-R562 PolarHBondContact O-N 2.86Å; R560-R570 PolarHBondContact O-NH1 3.28Å; R560-L599 PolarHBondContact NH2-O 3.15Å; R560-E602 IonicContact CZ-OE2 2.78Å; R560-E602 IonicContact NH1-OE2 2.89Å; R560-E602 PolarHBondContact NH1-OE2 2.98Å; R560-E602 IonicContact NH2-OE2 3.98Å; R560-E602 PolarHBondContact NH2-OE2 2.91Å; R560-D603 IonicContact CZ-OD1 3.5Å; R560-D603 IonicContact CZ-OD2 2.85Å; R560-D603 IonicContact NE-OD1 2.9Å; R560-D603 PolarHBondContact NE-OD1 3.07Å; R560-D603 IonicContact NE-OD2 3.84Å; R560-D603 PolarHBondContact NE-OD2 2.85Å; R560-D603 VanDerWaalsContact NE-OD2 3.17Å; R560-D603 IonicContact NH2-OD1 3.97Å; R560-D603 PolarHBondContact NH2-OD1 3.41Å; R560-D603 IonicContact NH2-OD2 3.23Å; R560-D603 PolarHBondContact NH2-OD2 3.23Å
561	L	98.9	Very high	98.6	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.21	C	C	.	.			trans	67.8	18.6	177.8	-50.8	179.7	0	0	0	115	W158 M547 V557 D558 R570 V571 V572 I576 I592 A596	W158-L561 HydrophobicContact CH2-CD1 4.2Å; W158-L561 HydrophobicContact CH2-CD2 4.11Å; W158-L561 HydrophobicContact CH2-CG 4.48Å; W158-L561 HydrophobicContact CZ2-CD1 4.13Å; W158-L561 HydrophobicContact CZ2-CD2 3.64Å; W158-L561 HydrophobicContact CZ2-CG 3.97Å; M547-L561 HydrophobicContact SD-CD2 3.86Å; V557-L561 HydrophobicContact CG2-CD2 4.26Å; D558-L561 WeakPolarHBondContact O-CA 3.47Å; D558-L561 PolarHBondContact O-N 2.78Å; D558-L561 PolarHBondContact OD1-N 3.02Å; L561-R570 WeakPolarHBondContact O-CA 3.33Å; L561-R570 VanDerWaalsContact O-CB 3.23Å; L561-R570 WeakPolarHBondContact O-CB 3.32Å; L561-R570 WeakPolarHBondContact O-CG 3.49Å; L561-V571 WeakPolarHBondContact CB-O 3.41Å; L561-V571 PolarHBondContact O-N 2.83Å; L561-V571 VanDerWaalsContact O-N 3.1Å; L561-V572 HydrophobicContact CD1-CG1 4.36Å; L561-V572 HydrophobicContact CD1-CG2 4.07Å; L561-I576 HydrophobicContact CD2-CB 4.13Å; L561-I576 HydrophobicContact CD2-CD1 3.95Å; L561-I576 HydrophobicContact CD2-CG1 4Å; L561-I576 HydrophobicContact CD2-CG2 4.24Å; L561-I592 HydrophobicContact CD1-CG2 4.42Å; L561-A596 HydrophobicContact CD1-CB 3.69Å
562	R	98.8	Very high	98.7	Very high	114 Å²	114	30.6 Å²	30.6	43%	0.43	18%	0.175	S	C	.	.	B	Isolated β-bridge	trans	-84.3	134.6	177.2	-56.8	175.7	-63.6	-173.1	3.9	109.5	V557 D558 R560 R570	V557-R562 CarbonylContact C-O 3.57Å; V557-R562 WeakPolarHBondContact CA-O 3.04Å; V557-R562 WeakPolarHBondContact CB-O 3.26Å; D558-R562 PolarHBondContact N-O 3.44Å; D558-R562 PolarHBondContact OD1-N 3.02Å; D558-R562 IonicContact OD1-NE 2.7Å; D558-R562 IonicContact OD2-CZ 2.97Å; D558-R562 IonicContact OD2-NE 3.44Å; D558-R562 PolarHBondContact OD2-NE 3.23Å; D558-R562 IonicContact OD2-NH2 3.94Å; D558-R562 PolarHBondContact OD2-NH2 3.37Å; R560-R562 VanDerWaalsContact C-N 3.28Å; R560-R562 HydrophobicContact CB-CG 4.46Å; R560-R562 PolarHBondContact O-N 2.86Å; R562-R570 HydrophobicContact CG-CG 4.31Å
563	V	98.9	Very high	98.7	Very high	4 Å²	4	29.1 Å²	29.1	2%	0.024	17%	0.167	C	C	.	.	B	Isolated β-bridge	trans	-71	129.4	179.8	-175.9	0	0	0	0	110.5	V313 L330 V557 V566 V569 V571	V313-V563 HydrophobicContact CG1-CG1 3.97Å; L330-V563 HydrophobicContact CD1-CG1 3.82Å; V557-V563 HydrophobicContact CG1-CG2 4.01Å; V563-V566 HydrophobicContact CB-CG2 3.7Å; V563-V566 HydrophobicContact CG1-CG2 3.72Å; V563-V566 VanDerWaalsContact O-O 3.09Å; V563-V569 HydrophobicContact CB-CB 4.44Å; V563-V569 HydrophobicContact CG2-CB 4.05Å; V563-V569 HydrophobicContact CG2-CG1 3.75Å; V563-V569 PolarHBondContact N-O 2.97Å; V563-V569 VanDerWaalsContact N-O 3.15Å; V563-V571 HydrophobicContact CG2-CG2 3.75Å
564	Y	98.8	Very high	98.7	Very high	57 Å²	57	23.2 Å²	23.2	22%	0.224	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	148.8	178	-76.9	-65.4	0	0	0	112.6	S328 L330 G548 P549 S550 A555 V556 V557 D558 V566	S328-Y564 PolarHBondContact OG-O 3.46Å; L330-Y564 WeakPolarHBondContact CD1-O 3.15Å; G548-Y564 PolarHBondContact O-OH 2.96Å; P549-Y564 VanDerWaalsContact C-OH 3.31Å; S550-Y564 VanDerWaalsContact CA-OH 3.29Å; S550-Y564 WeakPolarHBondContact CA-OH 3.48Å; S550-Y564 PolarHBondContact N-OH 2.91Å; S550-Y564 VanDerWaalsContact N-OH 3.09Å; A555-Y564 HydrophobicContact CB-CD2 4.47Å; A555-Y564 HydrophobicContact CB-CE2 4.05Å; V556-Y564 PolarHBondContact O-N 2.62Å; V557-Y564 VanDerWaalsContact C-CE2 3.49Å; D558-Y564 WeakPolarHBondContact CA-OH 3.42Å; D558-Y564 HydrophobicContact CB-CE1 3.97Å; D558-Y564 HydrophobicContact CB-CE2 4.03Å; D558-Y564 VanDerWaalsContact CB-CZ 3.49Å; D558-Y564 VanDerWaalsContact CB-OH 3.23Å; D558-Y564 WeakPolarHBondContact CB-OH 3.43Å; Y564-V566 PolarHBondContact O-N 3.04Å
565	G	98.4	Very high	98.8	Very high	48 Å²	48	20.1 Å²	20.1	50%	0.495	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.7	-1.2	175.7	0	0	0	0	0	116.5	K273	K273-G565 VanDerWaalsContact CD-O 3.27Å; K273-G565 WeakPolarHBondContact CD-O 3.41Å
566	V	98.8	Very high	98.8	Very high	20 Å²	20	20 Å²	20	12%	0.121	11%	0.111	C	C	.	.	S	Bend	trans	-134.2	168.1	171	-59	0	0	0	0	110.3	F269 K273 V313 I327 V563 Y564 V569	F269-V566 HydrophobicContact CD1-CB 4.29Å; F269-V566 HydrophobicContact CD1-CG1 4.34Å; F269-V566 HydrophobicContact CE1-CB 3.68Å; F269-V566 HydrophobicContact CE1-CG1 3.88Å; F269-V566 HydrophobicContact CE1-CG2 3.98Å; F269-V566 HydrophobicContact CZ-CB 4.29Å; F269-V566 HydrophobicContact CZ-CG1 4.17Å; F269-V566 HydrophobicContact CZ-CG2 4.28Å; K273-V566 HydrophobicContact CB-CG1 4.26Å; K273-V566 WeakPolarHBondContact O-CA 3.33Å; K273-V566 WeakPolarHBondContact O-CB 3.48Å; V313-V566 HydrophobicContact CG2-CG1 3.83Å; I327-V566 HydrophobicContact CG2-CG1 3.91Å; V563-V566 HydrophobicContact CB-CG2 3.7Å; V563-V566 HydrophobicContact CG1-CG2 3.72Å; V563-V566 VanDerWaalsContact O-O 3.09Å; Y564-V566 PolarHBondContact O-N 3.04Å; V566-V569 HydrophobicContact CG2-CB 4.44Å; V566-V569 HydrophobicContact CG2-CG2 4.44Å
567	S	98.7	Very high	98.8	Very high	51 Å²	51	20 Å²	20	36%	0.357	11%	0.111	S	C	.	.	B	Isolated β-bridge	trans	-127.6	155.6	175.1	68.9	0	0	0	0	112.3	K273 R274 A275	K273-S567 PolarHBondContact O-N 2.81Å; R274-S567 CarbonylContact C-O 3.5Å; R274-S567 WeakPolarHBondContact CA-O 3.4Å; R274-S567 VanDerWaalsContact CA-OG 3.31Å; R274-S567 WeakPolarHBondContact CA-OG 3.4Å; R274-S567 VanDerWaalsContact CB-OG 3.31Å; R274-S567 WeakPolarHBondContact CB-OG 3.33Å; A275-S567 PolarHBondContact N-O 3.33Å
568	G	98.6	Very high	98.8	Very high	13 Å²	13	20 Å²	20	13%	0.134	11%	0.111	C	C	.	.	S	Bend	trans	76.6	17.7	-179.6	0	0	0	0	0	114.7	E294 V295	E294-G568 CarbonylContact C-O 3.47Å; E294-G568 VanDerWaalsContact CA-O 3.29Å; E294-G568 WeakPolarHBondContact CA-O 3.49Å; V295-G568 PolarHBondContact N-O 2.93Å
569	V	98.9	Very high	98.8	Very high	4 Å²	4	20.9 Å²	20.9	2%	0.024	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	132.8	175	-172.2	0	0	0	0	110.2	I267 F269 A275 V295 L308 V563 V566	I267-V569 HydrophobicContact CD1-CG1 3.9Å; I267-V569 HydrophobicContact CD1-CG2 4.34Å; I267-V569 HydrophobicContact CG2-CG2 4.08Å; F269-V569 HydrophobicContact CE1-CG2 3.68Å; F269-V569 HydrophobicContact CZ-CG2 3.84Å; A275-V569 HydrophobicContact CB-CG2 3.5Å; A275-V569 VanDerWaalsContact CB-CG2 3.5Å; V295-V569 WeakPolarHBondContact O-CA 3.05Å; L308-V569 HydrophobicContact CD2-CG1 4.39Å; V563-V569 HydrophobicContact CB-CB 4.44Å; V563-V569 HydrophobicContact CG2-CB 4.05Å; V563-V569 HydrophobicContact CG2-CG1 3.75Å; V563-V569 PolarHBondContact N-O 2.97Å; V563-V569 VanDerWaalsContact N-O 3.15Å; V566-V569 HydrophobicContact CG2-CB 4.44Å; V566-V569 HydrophobicContact CG2-CG2 4.44Å
570	R	98.9	Very high	98.7	Very high	3 Å²	3	19.9 Å²	19.9	1%	0.011	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	152.2	164.4	-62.7	-166.6	-161.1	-116.6	-5.7	111.5	E294 V295 I296 A297 R560 L561 R562 V572 D603	E294-R570 IonicContact OE1-CZ 2.76Å; E294-R570 IonicContact OE1-NE 3.67Å; E294-R570 PolarHBondContact OE1-NE 3Å; E294-R570 IonicContact OE1-NH2 3.31Å; E294-R570 PolarHBondContact OE1-NH2 3.43Å; E294-R570 WeakPolarHBondContact OE2-CD 3.19Å; E294-R570 WeakPolarHBondContact OE2-CG 3.21Å; E294-R570 IonicContact OE2-CZ 3.17Å; E294-R570 IonicContact OE2-NE 3.45Å; E294-R570 PolarHBondContact OE2-NE 3.34Å; E294-R570 IonicContact OE2-NH2 2.93Å; V295-R570 PolarHBondContact O-N 2.89Å; I296-R570 HydrophobicContact CD1-CB 4.11Å; I296-R570 HydrophobicContact CD1-CG 4.45Å; A297-R570 PolarHBondContact N-O 3.43Å; R560-R570 PolarHBondContact O-NH1 3.28Å; L561-R570 WeakPolarHBondContact O-CA 3.33Å; L561-R570 VanDerWaalsContact O-CB 3.23Å; L561-R570 WeakPolarHBondContact O-CB 3.32Å; L561-R570 WeakPolarHBondContact O-CG 3.49Å; R562-R570 HydrophobicContact CG-CG 4.31Å; R570-V572 HydrophobicContact CB-CG2 4.23Å; R570-D603 IonicContact CZ-OD2 2.68Å; R570-D603 VanDerWaalsContact CZ-OD2 3.23Å; R570-D603 IonicContact NH1-OD2 3.06Å; R570-D603 PolarHBondContact NH1-OD2 2.98Å; R570-D603 IonicContact NH2-OD2 3.4Å; R570-D603 PolarHBondContact NH2-OD2 3.36Å
571	V	99	Very high	98.7	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	125.7	168.6	-179.5	0	0	0	0	108.8	A297 T304 L308 C545 V557 L561 V563 S575 I576	A297-V571 HydrophobicContact CB-CG2 4.41Å; A297-V571 WeakPolarHBondContact O-CA 3.28Å; T304-V571 HydrophobicContact CG2-CB 4.36Å; T304-V571 HydrophobicContact CG2-CG1 3.41Å; T304-V571 VanDerWaalsContact CG2-CG1 3.41Å; T304-V571 HydrophobicContact CG2-CG2 4.01Å; L308-V571 HydrophobicContact CD1-CG2 3.93Å; C545-V571 HydrophobicContact CB-CG1 4.11Å; C545-V571 HydrophobicContact CB-CG2 4.48Å; V557-V571 HydrophobicContact CG1-CB 3.86Å; V557-V571 HydrophobicContact CG1-CG2 3.85Å; L561-V571 WeakPolarHBondContact CB-O 3.41Å; L561-V571 PolarHBondContact O-N 2.83Å; L561-V571 VanDerWaalsContact O-N 3.1Å; V563-V571 HydrophobicContact CG2-CG2 3.75Å; V571-S575 WeakPolarHBondContact CG1-OG 3.35Å; V571-I576 HydrophobicContact CB-CG2 3.85Å; V571-I576 HydrophobicContact CG1-CG2 3.56Å; V571-I576 WeakPolarHBondContact O-CG2 3.44Å
572	V	98.9	Very high	98.6	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	10%	0.101	C	C	.	.			trans	-137.8	82.7	-177.1	-168.1	0	0	0	0	109.3	A54 V58 I296 A297 S298 L561 R570 I592 A596	A54-V572 HydrophobicContact CB-CG1 4.16Å; A54-V572 WeakPolarHBondContact CB-O 3.46Å; V58-V572 HydrophobicContact CG2-CB 4.43Å; V58-V572 HydrophobicContact CG2-CG1 3.89Å; I296-V572 HydrophobicContact CG2-CB 4Å; I296-V572 HydrophobicContact CG2-CG2 3.61Å; A297-V572 PolarHBondContact O-N 3.42Å; S298-V572 VanDerWaalsContact CB-O 3.25Å; S298-V572 WeakPolarHBondContact CB-O 3.35Å; S298-V572 PolarHBondContact OG-O 2.83Å; L561-V572 HydrophobicContact CD1-CG1 4.36Å; L561-V572 HydrophobicContact CD1-CG2 4.07Å; R570-V572 HydrophobicContact CB-CG2 4.23Å; V572-I592 HydrophobicContact CG1-CG2 3.83Å; V572-A596 HydrophobicContact CB-CB 4.23Å; V572-A596 HydrophobicContact CG1-CB 3.37Å; V572-A596 HydrophobicContact CG2-CB 3.72Å
573	D	98.8	Very high	98.5	Very high	4 Å²	4	11.8 Å²	11.8	2%	0.021	8%	0.08	C	C	.	.	S	Bend	trans	-167	-169.6	170.3	60.2	54.2	0	0	0	110.1	A54 S298 A299 G300 T304 S575 I576	A54-D573 HydrophobicContact CB-CB 4.48Å; S298-D573 WeakPolarHBondContact CA-OD2 3.27Å; A299-D573 PolarHBondContact N-OD2 2.83Å; G300-D573 WeakPolarHBondContact CA-OD2 3.34Å; G300-D573 PolarHBondContact N-OD2 2.7Å; T304-D573 WeakPolarHBondContact CB-OD2 3.32Å; T304-D573 PolarHBondContact OG1-OD2 2.88Å; D573-S575 PolarHBondContact O-N 3.08Å; D573-S575 VanDerWaalsContact O-N 3.09Å; D573-S575 WeakPolarHBondContact OD1-CB 3.49Å; D573-S575 PolarHBondContact OD1-N 3.37Å; D573-S575 PolarHBondContact OD1-OG 3.03Å; D573-I576 VanDerWaalsContact O-CG1 3.27Å; D573-I576 WeakPolarHBondContact O-CG1 3.28Å; D573-I576 PolarHBondContact O-N 3.29Å
574	A	98.7	Very high	98.4	Very high	6 Å²	6	12.1 Å²	12.1	5%	0.05	8%	0.082	C	C	.	.	G	3₁₀ helix	trans	-60	-18	-179.3	0	0	0	0	0	115	A301 A542 G543 I576 M577 V589	A301-A574 HydrophobicContact CB-CB 4.31Å; A542-A574 WeakPolarHBondContact CA-O 3.15Å; A542-A574 HydrophobicContact CB-CB 4.3Å; A542-A574 WeakPolarHBondContact CB-O 3.32Å; G543-A574 PolarHBondContact N-O 3.5Å; A574-I576 PolarHBondContact O-N 2.74Å; A574-M577 HydrophobicContact CB-CE 4.29Å; A574-M577 HydrophobicContact CB-SD 4.38Å; A574-M577 WeakPolarHBondContact O-CG 3.46Å; A574-M577 PolarHBondContact O-N 3.46Å; A574-V589 HydrophobicContact CB-CG2 3.62Å
575	S	98.8	Very high	98.3	Very high	0 Å²	0	10 Å²	10	0%	0	8%	0.075	C	C	.	.	G	3₁₀ helix	trans	-61.1	-25.3	178	60	0	0	0	0	113.2	G543 T544 C545 R546 V571 D573 M577	G543-S575 CarbonylContact C-O 3.51Å; G543-S575 WeakPolarHBondContact CA-O 3.23Å; G543-S575 PolarHBondContact N-O 2.91Å; T544-S575 PolarHBondContact N-O 3.37Å; T544-S575 VanDerWaalsContact N-O 3.15Å; T544-S575 WeakPolarHBondContact OG1-CB 3.42Å; C545-S575 CarbonylContact C-O 3.47Å; C545-S575 WeakPolarHBondContact CA-O 3.11Å; C545-S575 PolarHBondContact N-O 2.96Å; R546-S575 PolarHBondContact N-O 2.88Å; V571-S575 WeakPolarHBondContact CG1-OG 3.35Å; D573-S575 PolarHBondContact O-N 3.08Å; D573-S575 VanDerWaalsContact O-N 3.09Å; D573-S575 WeakPolarHBondContact OD1-CB 3.49Å; D573-S575 PolarHBondContact OD1-N 3.37Å; D573-S575 PolarHBondContact OD1-OG 3.03Å; S575-M577 VanDerWaalsContact C-N 3.32Å; S575-M577 PolarHBondContact O-N 3.5Å
576	I	98.9	Very high	98.3	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	6%	0.056	C	C	.	.	G	3₁₀ helix	trans	-78.5	-16.2	-177.3	69.1	87.6	0	0	0	113.5	W158 C545 M547 V557 L561 V571 D573 A574 P578 I592	W158-I576 HydrophobicContact CH2-CD1 4.14Å; W158-I576 HydrophobicContact CZ3-CD1 4.39Å; C545-I576 WeakPolarHBondContact O-CA 2.92Å; M547-I576 HydrophobicContact CB-CB 4.31Å; M547-I576 HydrophobicContact CB-CD1 4.5Å; M547-I576 WeakPolarHBondContact CB-O 3.4Å; M547-I576 HydrophobicContact CE-CD1 4.29Å; M547-I576 PolarHBondContact N-O 2.99Å; M547-I576 HydrophobicContact SD-CD1 4.36Å; V557-I576 HydrophobicContact CG2-CB 4.13Å; V557-I576 HydrophobicContact CG2-CG2 3.88Å; L561-I576 HydrophobicContact CD2-CB 4.13Å; L561-I576 HydrophobicContact CD2-CD1 3.95Å; L561-I576 HydrophobicContact CD2-CG1 4Å; L561-I576 HydrophobicContact CD2-CG2 4.24Å; V571-I576 HydrophobicContact CB-CG2 3.85Å; V571-I576 HydrophobicContact CG1-CG2 3.56Å; V571-I576 WeakPolarHBondContact O-CG2 3.44Å; D573-I576 VanDerWaalsContact O-CG1 3.27Å; D573-I576 WeakPolarHBondContact O-CG1 3.28Å; D573-I576 PolarHBondContact O-N 3.29Å; A574-I576 PolarHBondContact O-N 2.74Å; I576-P578 VanDerWaalsContact O-CD 3.26Å; I576-P578 WeakPolarHBondContact O-CD 3.29Å; I576-P578 VanDerWaalsContact O-N 3.17Å; I576-I592 HydrophobicContact CD1-CD1 3.98Å; I576-I592 HydrophobicContact CD1-CG1 4.29Å; I576-I592 HydrophobicContact CD1-CG2 4.47Å; I576-I592 HydrophobicContact CG1-CD1 4.32Å; I576-I592 HydrophobicContact CG1-CG2 4.29Å
577	M	98.8	Very high	98.3	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	5%	0.051	C	C	.	.			trans	-60.7	118.1	-174.6	-64.6	-179.8	177.8	0	0	110.4	W150 A542 G543 A574 S575 T579 P585 P588 V589 I592	W150-M577 HydrophobicContact CH2-CB 4.3Å; W150-M577 HydrophobicContact CH2-CE 4.34Å; W150-M577 HydrophobicContact CH2-CG 3.71Å; W150-M577 HydrophobicContact CH2-SD 4.26Å; W150-M577 HydrophobicContact CZ2-CB 3.86Å; W150-M577 HydrophobicContact CZ2-CG 3.74Å; W150-M577 HydrophobicContact CZ2-SD 4.23Å; A542-M577 HydrophobicContact CB-CB 4.35Å; A542-M577 HydrophobicContact CB-SD 4.03Å; G543-M577 WeakPolarHBondContact CA-O 3.38Å; A574-M577 HydrophobicContact CB-CE 4.29Å; A574-M577 HydrophobicContact CB-SD 4.38Å; A574-M577 WeakPolarHBondContact O-CG 3.46Å; A574-M577 PolarHBondContact O-N 3.46Å; S575-M577 VanDerWaalsContact C-N 3.32Å; S575-M577 PolarHBondContact O-N 3.5Å; M577-T579 VanDerWaalsContact C-N 3.29Å; M577-T579 PolarHBondContact O-N 3.26Å; M577-P585 HydrophobicContact CE-CB 4.15Å; M577-P588 HydrophobicContact CE-CB 3.75Å; M577-V589 HydrophobicContact CE-CG2 3.72Å; M577-I592 HydrophobicContact CE-CD1 3.54Å; M577-I592 HydrophobicContact CG-CD1 4.12Å
578	P	98.5	Very high	98.3	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	3%	0.034	C	C	.	.	S	Bend	trans	-61.1	-42.8	178.8	-20.7	31.1	0	0	0	111.8	W150 L153 N335 Q337 R546 M547 I576	W150-P578 HydrophobicContact CG-CG 4.24Å; L153-P578 HydrophobicContact CD1-CB 3.82Å; N335-P578 PolarHBondContact ND2-O 2.96Å; N335-P578 VanDerWaalsContact ND2-O 3.1Å; Q337-P578 PolarHBondContact NE2-O 3.11Å; R546-P578 HydrophobicContact CG-CB 4.45Å; M547-P578 HydrophobicContact CB-CG 4.26Å; M547-P578 HydrophobicContact CE-CG 4.02Å; M547-P578 WeakPolarHBondContact O-CG 3.34Å; I576-P578 VanDerWaalsContact O-CD 3.26Å; I576-P578 WeakPolarHBondContact O-CD 3.29Å; I576-P578 VanDerWaalsContact O-N 3.17Å
579	T	98.3	Very high	98.3	Very high	33 Å²	33	5.3 Å²	5.3	20%	0.202	3%	0.032	C	C	.	.	S	Bend	trans	-128	144.2	168.2	59.6	0	0	0	0	108.9	W150 M577	W150-T579 WeakPolarHBondContact CZ2-O 3.44Å; W150-T579 PolarHBondContact NE1-O 3.28Å; W150-T579 PolarHBondContact NE1-OG1 3.32Å; W150-T579 VanDerWaalsContact NE1-OG1 3.12Å; M577-T579 VanDerWaalsContact C-N 3.29Å; M577-T579 PolarHBondContact O-N 3.26Å
580	I	98.4	Very high	98.3	Very high	4 Å²	4	5.2 Å²	5.2	2%	0.021	3%	0.031	C	C	.	.			trans	-60.8	146	172.1	-166.3	167.1	0	0	0	110.3	Q337 P452 H540 A542	Q337-I580 HydrophobicContact CB-CB 4.14Å; Q337-I580 HydrophobicContact CB-CG2 4.23Å; P452-I580 HydrophobicContact CG-CG2 4.1Å; H540-I580 HydrophobicContact CB-CD1 3.98Å; H540-I580 WeakPolarHBondContact O-CD1 3.25Å; A542-I580 HydrophobicContact CB-CB 4.32Å; A542-I580 HydrophobicContact CB-CD1 4.28Å; A542-I580 HydrophobicContact CB-CG1 4.17Å
581	V	98.3	Very high	98.3	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	3%	0.031	C	C	.	.			trans	-76.6	152.3	179.2	-64.5	0	0	0	0	111.5	D146 Y147 W150 H339 G583 P585 P588	D146-V581 HydrophobicContact CB-CB 4.47Å; D146-V581 HydrophobicContact CB-CG1 4.3Å; Y147-V581 HydrophobicContact CE1-CG1 4.22Å; W150-V581 HydrophobicContact CH2-CG1 3.68Å; W150-V581 HydrophobicContact CZ2-CG1 3.43Å; W150-V581 VanDerWaalsContact CZ2-CG1 3.43Å; H339-V581 PolarHBondContact CE1-O 3.42Å; H339-V581 PolarHBondContact NE2-O 2.86Å; H339-V581 VanDerWaalsContact NE2-O 3.16Å; V581-G583 PolarHBondContact O-N 3.36Å; V581-P585 HydrophobicContact CG2-CB 4.45Å; V581-P588 HydrophobicContact CB-CG 4.44Å; V581-P588 HydrophobicContact CG1-CB 4.28Å; V581-P588 HydrophobicContact CG1-CG 4.29Å; V581-P588 HydrophobicContact CG2-CB 4.27Å; V581-P588 HydrophobicContact CG2-CG 3.71Å
582	N	96.7	Very high	98.3	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	3%	0.031	C	C	.	.	S	Bend	trans	-71.2	68	171.9	-83.7	-88.5	0	0	0	111.4	G142 D146 Q224 F387 W399 P400 L450 R451	G142-N582 WeakPolarHBondContact CA-O 3.39Å; D146-N582 VanDerWaalsContact CG-N 3.33Å; D146-N582 PolarHBondContact OD1-N 2.75Å; D146-N582 PolarHBondContact OD1-ND2 2.97Å; D146-N582 WeakPolarHBondContact OD2-CB 3.39Å; D146-N582 PolarHBondContact OD2-N 2.77Å; Q224-N582 PolarHBondContact NE2-O 3.13Å; F387-N582 WeakPolarHBondContact CE1-O 3.39Å; W399-N582 PolarHBondContact NE1-ND2 2.99Å; P400-N582 PolarHBondContact O-OD1 2.77Å; L450-N582 HydrophobicContact CB-CB 4.41Å; L450-N582 WeakPolarHBondContact CB-OD1 3.39Å; L450-N582 HydrophobicContact CD1-CB 4.18Å; L450-N582 WeakPolarHBondContact CD1-OD1 3.24Å; R451-N582 WeakPolarHBondContact CD-ND2 3.49Å; R451-N582 VanDerWaalsContact CG-ND2 3.32Å; R451-N582 WeakPolarHBondContact CG-ND2 3.25Å
583	G	95.5	Very high	98.3	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	3%	0.031	C	C	.	.	S	Bend	trans	160.3	-164.9	177.5	0	0	0	0	0	113.7	H339 V581	H339-G583 PolarHBondContact CE1-O 2.84Å; H339-G583 PolarHBondContact ND1-O 3.18Å; V581-G583 PolarHBondContact O-N 3.36Å
584	N	97.4	Very high	98.3	Very high	12 Å²	12	4.9 Å²	4.9	6%	0.064	3%	0.03	C	C	.	.			trans	-79.1	120.6	-178.1	-61.3	70.2	0	0	0	111	V138 V140 Q403 H405 H540 N586 P588	V138-N584 HydrophobicContact CG1-CB 4.34Å; V138-N584 WeakPolarHBondContact CG1-OD1 3.38Å; V140-N584 HydrophobicContact CB-CB 4.24Å; Q403-N584 PolarHBondContact NE2-OD1 2.64Å; H405-N584 PolarHBondContact CE1-ND2 2.78Å; H405-N584 PolarHBondContact NE2-OD1 3.47Å; H540-N584 PolarHBondContact CE1-ND2 2.9Å; H540-N584 VanDerWaalsContact CE1-ND2 3.28Å; H540-N584 PolarHBondContact NE2-ND2 3.33Å; N584-N586 PolarHBondContact O-N 2.87Å; N584-P588 VanDerWaalsContact O-CD 3.31Å; N584-P588 WeakPolarHBondContact O-CD 3.38Å
585	P	97.5	Very high	98.3	Very high	13 Å²	13	5 Å²	5	8%	0.084	3%	0.029	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-4.3	-168.1	30.4	-37.1	0	0	0	114.3	H540 M577 V581 A587 P588 V589	H540-P585 HydrophobicContact CB-CG 3.8Å; H540-P585 WeakPolarHBondContact CD2-CD 3.36Å; H540-P585 VanDerWaalsContact CE1-CD 3.43Å; H540-P585 WeakPolarHBondContact CE1-CD 3.09Å; H540-P585 VanDerWaalsContact ND1-CD 3.26Å; H540-P585 WeakPolarHBondContact ND1-CD 3.33Å; H540-P585 WeakPolarHBondContact NE2-CD 3.43Å; M577-P585 HydrophobicContact CE-CB 4.15Å; V581-P585 HydrophobicContact CG2-CB 4.45Å; P585-A587 PolarHBondContact O-N 2.89Å; P585-P588 WeakPolarHBondContact O-CD 2.97Å; P585-V589 WeakPolarHBondContact O-CB 3.26Å; P585-V589 WeakPolarHBondContact O-CG2 3.42Å; P585-V589 PolarHBondContact O-N 3.11Å
586	N	98.4	Very high	98.3	Very high	17 Å²	17	5.1 Å²	5.1	9%	0.091	3%	0.03	C	C	.	.	H	α-helix	trans	-61.1	-48.8	-177.7	-174.3	57.1	0	0	0	112.5	S53 N584 V589 I590	S53-N586 WeakPolarHBondContact CB-OD1 3.38Å; S53-N586 PolarHBondContact OG-OD1 2.77Å; N584-N586 PolarHBondContact O-N 2.87Å; N586-V589 PolarHBondContact O-N 2.68Å; N586-I590 VanDerWaalsContact O-CG1 3.32Å; N586-I590 WeakPolarHBondContact O-CG1 3.27Å; N586-I590 PolarHBondContact O-N 2.96Å; N586-I590 VanDerWaalsContact O-N 3.08Å
587	A	98.4	Very high	98.3	Very high	2 Å²	2	5.1 Å²	5.1	2%	0.017	3%	0.03	C	C	.	.	H	α-helix	trans	-65.7	-45	176.9	0	0	0	0	0	111.9	Y139 F167 P585 V589 I590 A591	Y139-A587 HydrophobicContact CD2-CB 3.66Å; Y139-A587 HydrophobicContact CE2-CB 3.41Å; Y139-A587 VanDerWaalsContact CE2-CB 3.41Å; Y139-A587 HydrophobicContact CG-CB 4.47Å; F167-A587 HydrophobicContact CE1-CB 4.25Å; F167-A587 WeakPolarHBondContact CE1-O 3.19Å; P585-A587 PolarHBondContact O-N 2.89Å; A587-V589 VanDerWaalsContact C-N 3.29Å; A587-V589 PolarHBondContact O-N 2.74Å; A587-I590 WeakPolarHBondContact O-CB 3.45Å; A587-I590 PolarHBondContact O-N 3.09Å; A587-I590 VanDerWaalsContact O-N 3.1Å; A587-A591 PolarHBondContact O-N 3.02Å
588	P	98.7	Very high	98.3	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-54.3	-40.5	172	-31.5	35.9	0	0	0	114	V140 R141 Y147 F167 M577 V581 N584 P585 A591 I592	V140-P588 WeakPolarHBondContact O-CD 3.4Å; R141-P588 WeakPolarHBondContact O-CG 3.39Å; Y147-P588 WeakPolarHBondContact OH-CG 3.39Å; F167-P588 HydrophobicContact CE1-CG 4.38Å; F167-P588 HydrophobicContact CZ-CB 4.41Å; F167-P588 HydrophobicContact CZ-CG 4.32Å; M577-P588 HydrophobicContact CE-CB 3.75Å; V581-P588 HydrophobicContact CB-CG 4.44Å; V581-P588 HydrophobicContact CG1-CB 4.28Å; V581-P588 HydrophobicContact CG1-CG 4.29Å; V581-P588 HydrophobicContact CG2-CB 4.27Å; V581-P588 HydrophobicContact CG2-CG 3.71Å; N584-P588 VanDerWaalsContact O-CD 3.31Å; N584-P588 WeakPolarHBondContact O-CD 3.38Å; P585-P588 WeakPolarHBondContact O-CD 2.97Å; P588-A591 PolarHBondContact O-N 3.18Å; P588-I592 WeakPolarHBondContact O-CB 3.38Å; P588-I592 VanDerWaalsContact O-CG1 3.27Å; P588-I592 WeakPolarHBondContact O-CG1 3.26Å; P588-I592 PolarHBondContact O-N 3.2Å
589	V	98.9	Very high	98.3	Very high	13 Å²	13	7.1 Å²	7.1	8%	0.079	4%	0.041	C	C	.	.	H	α-helix	trans	-67	-36.8	177.2	172.8	0	0	0	0	111.9	A54 A574 M577 P585 N586 A587 I592 G593	A54-V589 HydrophobicContact CB-CG1 3.58Å; A574-V589 HydrophobicContact CB-CG2 3.62Å; M577-V589 HydrophobicContact CE-CG2 3.72Å; P585-V589 WeakPolarHBondContact O-CB 3.26Å; P585-V589 WeakPolarHBondContact O-CG2 3.42Å; P585-V589 PolarHBondContact O-N 3.11Å; N586-V589 PolarHBondContact O-N 2.68Å; A587-V589 VanDerWaalsContact C-N 3.29Å; A587-V589 PolarHBondContact O-N 2.74Å; V589-I592 WeakPolarHBondContact O-CB 3.33Å; V589-I592 PolarHBondContact O-N 2.94Å; V589-G593 PolarHBondContact O-N 3.04Å
590	I	98.9	Very high	98.3	Very high	2 Å²	2	5.6 Å²	5.6	1%	0.01	3%	0.031	C	C	.	.	H	α-helix	trans	-64.5	-45	173.5	-68.7	168.7	0	0	0	110	V57 S170 L190 T242 F246 N586 A587 I592 G593 E594	V57-I590 HydrophobicContact CG2-CB 4.5Å; V57-I590 HydrophobicContact CG2-CG2 3.93Å; S170-I590 WeakPolarHBondContact OG-CG2 3.27Å; L190-I590 HydrophobicContact CD1-CD1 4.36Å; L190-I590 HydrophobicContact CD2-CD1 3.7Å; T242-I590 HydrophobicContact CG2-CD1 3.51Å; T242-I590 HydrophobicContact CG2-CG1 3.78Å; F246-I590 HydrophobicContact CE2-CG2 4.09Å; F246-I590 HydrophobicContact CZ-CG2 3.89Å; N586-I590 VanDerWaalsContact O-CG1 3.32Å; N586-I590 WeakPolarHBondContact O-CG1 3.27Å; N586-I590 PolarHBondContact O-N 2.96Å; N586-I590 VanDerWaalsContact O-N 3.08Å; A587-I590 WeakPolarHBondContact O-CB 3.45Å; A587-I590 PolarHBondContact O-N 3.09Å; A587-I590 VanDerWaalsContact O-N 3.1Å; I590-I592 PolarHBondContact O-N 2.89Å; I590-G593 WeakPolarHBondContact O-CA 3.31Å; I590-G593 PolarHBondContact O-N 3.34Å; I590-G593 VanDerWaalsContact O-N 3.09Å; I590-E594 PolarHBondContact O-N 3.27Å
591	A	98.8	Very high	98.3	Very high	1 Å²	1	6.6 Å²	6.6	1%	0.008	4%	0.035	C	C	.	.	H	α-helix	trans	-64	-37.5	175.8	0	0	0	0	0	112.7	M163 F167 A587 P588 G593 E594 K595	M163-A591 HydrophobicContact CE-CB 3.74Å; F167-A591 HydrophobicContact CD1-CB 3.72Å; F167-A591 HydrophobicContact CD2-CB 4.35Å; F167-A591 HydrophobicContact CE1-CB 3.54Å; F167-A591 HydrophobicContact CE2-CB 4.19Å; F167-A591 HydrophobicContact CG-CB 4.11Å; F167-A591 HydrophobicContact CZ-CB 3.76Å; A587-A591 PolarHBondContact O-N 3.02Å; P588-A591 PolarHBondContact O-N 3.18Å; A591-G593 VanDerWaalsContact C-N 3.32Å; A591-G593 PolarHBondContact O-N 2.92Å; A591-E594 PolarHBondContact O-N 2.95Å; A591-K595 WeakPolarHBondContact O-CB 3.48Å; A591-K595 PolarHBondContact O-N 3.28Å
592	I	98.9	Very high	98.3	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-57.9	-45.3	169.7	-74.9	160.4	0	0	0	110.2	W158 L561 V572 I576 M577 P588 V589 I590 K595 A596	W158-I592 HydrophobicContact CH2-CG1 4.09Å; W158-I592 HydrophobicContact CH2-CG2 4.4Å; W158-I592 HydrophobicContact CZ3-CG1 3.73Å; L561-I592 HydrophobicContact CD1-CG2 4.42Å; V572-I592 HydrophobicContact CG1-CG2 3.83Å; I576-I592 HydrophobicContact CD1-CD1 3.98Å; I576-I592 HydrophobicContact CD1-CG1 4.29Å; I576-I592 HydrophobicContact CD1-CG2 4.47Å; I576-I592 HydrophobicContact CG1-CD1 4.32Å; I576-I592 HydrophobicContact CG1-CG2 4.29Å; M577-I592 HydrophobicContact CE-CD1 3.54Å; M577-I592 HydrophobicContact CG-CD1 4.12Å; P588-I592 WeakPolarHBondContact O-CB 3.38Å; P588-I592 VanDerWaalsContact O-CG1 3.27Å; P588-I592 WeakPolarHBondContact O-CG1 3.26Å; P588-I592 PolarHBondContact O-N 3.2Å; V589-I592 WeakPolarHBondContact O-CB 3.33Å; V589-I592 PolarHBondContact O-N 2.94Å; I590-I592 PolarHBondContact O-N 2.89Å; I592-K595 PolarHBondContact O-N 2.87Å; I592-A596 WeakPolarHBondContact O-CB 3.46Å; I592-A596 PolarHBondContact O-N 3.07Å
593	G	98.9	Very high	98.3	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-61	-42.9	176.1	0	0	0	0	0	113.1	V589 I590 A591 S597	V589-G593 PolarHBondContact O-N 3.04Å; I590-G593 WeakPolarHBondContact O-CA 3.31Å; I590-G593 PolarHBondContact O-N 3.34Å; I590-G593 VanDerWaalsContact O-N 3.09Å; A591-G593 VanDerWaalsContact C-N 3.32Å; A591-G593 PolarHBondContact O-N 2.92Å; G593-S597 WeakPolarHBondContact O-CB 3.29Å; G593-S597 PolarHBondContact O-N 2.67Å; G593-S597 PolarHBondContact O-OG 3.17Å
594	E	98.9	Very high	98.4	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-62.9	-47.4	175.8	-78.6	-62.9	174.2	0	0	112.1	V57 R61 Y166 K169 S170 I590 A591 S597 D598	V57-E594 HydrophobicContact CG1-CB 4.34Å; V57-E594 HydrophobicContact CG1-CG 3.73Å; R61-E594 IonicContact CZ-OE1 2.68Å; R61-E594 IonicContact CZ-OE2 2.72Å; R61-E594 VanDerWaalsContact NE-CD 3.29Å; R61-E594 IonicContact NE-OE1 3.24Å; R61-E594 PolarHBondContact NE-OE1 3.21Å; R61-E594 IonicContact NE-OE2 3.89Å; R61-E594 PolarHBondContact NE-OE2 2.89Å; R61-E594 IonicContact NH2-OE1 3.63Å; R61-E594 PolarHBondContact NH2-OE1 2.72Å; R61-E594 IonicContact NH2-OE2 3.68Å; Y166-E594 HydrophobicContact CD1-CB 3.74Å; Y166-E594 HydrophobicContact CG-CB 4.18Å; K169-E594 HydrophobicContact CD-CG 4.36Å; K169-E594 VanDerWaalsContact CD-OE2 3.26Å; K169-E594 WeakPolarHBondContact CD-OE2 3.23Å; K169-E594 WeakPolarHBondContact CE-OE2 3.17Å; K169-E594 IonicContact NZ-OE2 2.85Å; K169-E594 PolarHBondContact NZ-OE2 2.87Å; S170-E594 WeakPolarHBondContact OG-CG 3.27Å; S170-E594 PolarHBondContact OG-OE1 3.16Å; I590-E594 PolarHBondContact O-N 3.27Å; A591-E594 PolarHBondContact O-N 2.95Å; E594-S597 WeakPolarHBondContact O-CB 3.33Å; E594-S597 PolarHBondContact O-N 2.68Å; E594-D598 PolarHBondContact O-N 3.43Å
595	K	98.8	Very high	98.2	Very high	9 Å²	9	22 Å²	22	4%	0.039	12%	0.122	C	C	.	.	H	α-helix	trans	-63.1	-47.2	178	-179.5	169.8	171.8	-178.3	0	111.9	G157 W158 M163 Y166 A591 I592 S597 D598 L599	G157-K595 PolarHBondContact O-NZ 2.78Å; W158-K595 HydrophobicContact CD2-CD 4.22Å; W158-K595 HydrophobicContact CE3-CD 4.1Å; W158-K595 HydrophobicContact CH2-CD 3.83Å; W158-K595 HydrophobicContact CH2-CG 4.46Å; W158-K595 HydrophobicContact CZ2-CD 3.91Å; W158-K595 HydrophobicContact CZ3-CD 3.9Å; W158-K595 VanDerWaalsContact NE1-NZ 3.14Å; M163-K595 HydrophobicContact SD-CD 3.79Å; Y166-K595 HydrophobicContact CD1-CB 4.22Å; Y166-K595 HydrophobicContact CD2-CB 3.63Å; Y166-K595 HydrophobicContact CD2-CD 4.18Å; Y166-K595 HydrophobicContact CD2-CG 4.08Å; Y166-K595 HydrophobicContact CE1-CB 4.15Å; Y166-K595 HydrophobicContact CE2-CB 3.56Å; Y166-K595 HydrophobicContact CE2-CD 3.78Å; Y166-K595 HydrophobicContact CE2-CG 3.54Å; Y166-K595 HydrophobicContact CG-CB 3.96Å; A591-K595 WeakPolarHBondContact O-CB 3.48Å; A591-K595 PolarHBondContact O-N 3.28Å; I592-K595 PolarHBondContact O-N 2.87Å; K595-S597 PolarHBondContact O-N 2.82Å; K595-D598 PolarHBondContact O-N 3.01Å; K595-D598 VanDerWaalsContact O-N 3.11Å; K595-L599 HydrophobicContact CG-CD1 4.06Å; K595-L599 HydrophobicContact CG-CG 4.33Å; K595-L599 WeakPolarHBondContact O-CG 3.41Å; K595-L599 PolarHBondContact O-N 3.19Å
596	A	98.8	Very high	97.9	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.008	13%	0.132	C	C	.	.	H	α-helix	trans	-57.2	-39.4	178	0	0	0	0	0	111.6	V58 L561 V572 I592 D598 L599 I600	V58-A596 HydrophobicContact CG2-CB 4.41Å; L561-A596 HydrophobicContact CD1-CB 3.69Å; V572-A596 HydrophobicContact CB-CB 4.23Å; V572-A596 HydrophobicContact CG1-CB 3.37Å; V572-A596 HydrophobicContact CG2-CB 3.72Å; I592-A596 WeakPolarHBondContact O-CB 3.46Å; I592-A596 PolarHBondContact O-N 3.07Å; A596-D598 VanDerWaalsContact C-N 3.34Å; A596-D598 PolarHBondContact O-N 2.98Å; A596-L599 PolarHBondContact O-N 2.85Å; A596-I600 WeakPolarHBondContact O-CB 3.24Å; A596-I600 WeakPolarHBondContact O-CD1 3.45Å; A596-I600 WeakPolarHBondContact O-CG1 3.21Å; A596-I600 PolarHBondContact O-N 3.06Å
597	S	98.8	Very high	96.6	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-61.5	-42.1	177.2	-58.1	0	0	0	0	112.6	V58 R61 G593 E594 K595 K601	V58-S597 WeakPolarHBondContact CA-OG 3.34Å; R61-S597 WeakPolarHBondContact CB-OG 3.31Å; G593-S597 WeakPolarHBondContact O-CB 3.29Å; G593-S597 PolarHBondContact O-N 2.67Å; G593-S597 PolarHBondContact O-OG 3.17Å; E594-S597 WeakPolarHBondContact O-CB 3.33Å; E594-S597 PolarHBondContact O-N 2.68Å; K595-S597 PolarHBondContact O-N 2.82Å; S597-K601 WeakPolarHBondContact O-CB 3.44Å; S597-K601 VanDerWaalsContact O-CG 3.26Å; S597-K601 WeakPolarHBondContact O-CG 3.31Å; S597-K601 PolarHBondContact O-N 2.93Å
598	D	98.4	Very high	94.6	Very high	25 Å²	25	41.1 Å²	41.1	13%	0.134	20%	0.196	C	C	.	.	H	α-helix	trans	-67.6	-42.3	175.7	-85.4	26.3	0	0	0	111.3	Y166 K169 E594 K595 A596 I600 K601 E602 R608	Y166-D598 HydrophobicContact CE1-CB 4.22Å; K169-D598 IonicContact NZ-OD1 3.4Å; K169-D598 PolarHBondContact NZ-OD1 2.76Å; K169-D598 VanDerWaalsContact NZ-OD1 3.11Å; E594-D598 PolarHBondContact O-N 3.43Å; K595-D598 PolarHBondContact O-N 3.01Å; K595-D598 VanDerWaalsContact O-N 3.11Å; A596-D598 VanDerWaalsContact C-N 3.34Å; A596-D598 PolarHBondContact O-N 2.98Å; D598-I600 PolarHBondContact O-N 2.79Å; D598-K601 PolarHBondContact O-N 3.13Å; D598-E602 WeakPolarHBondContact O-CB 3.48Å; D598-E602 PolarHBondContact O-N 3.39Å; D598-R608 IonicContact OD2-CZ 3.43Å; D598-R608 IonicContact OD2-NE 3.01Å; D598-R608 IonicContact OD2-NH2 3.74Å; D598-R608 PolarHBondContact OD2-NH2 2.68Å
599	L	98.5	Very high	92.5	Very high	18 Å²	18	45.4 Å²	45.4	9%	0.094	23%	0.232	C	C	.	.	H	α-helix	trans	-61.2	-43.4	176.3	-67.4	171.1	0	0	0	112.3	R560 K595 A596 E602 D603	R560-L599 PolarHBondContact NH2-O 3.15Å; K595-L599 HydrophobicContact CG-CD1 4.06Å; K595-L599 HydrophobicContact CG-CG 4.33Å; K595-L599 WeakPolarHBondContact O-CG 3.41Å; K595-L599 PolarHBondContact O-N 3.19Å; A596-L599 PolarHBondContact O-N 2.85Å; L599-E602 PolarHBondContact O-N 2.95Å; L599-D603 WeakPolarHBondContact O-CB 3.42Å; L599-D603 PolarHBondContact O-N 2.91Å
600	I	98.6	Very high	89.5	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-65.4	-43.8	176.8	-67.2	160.6	0	0	0	110.1	F46 V58 L62 I296 A596 D598 E602 D603 W604	F46-I600 HydrophobicContact CD1-CG2 4.39Å; F46-I600 HydrophobicContact CE1-CG2 3.5Å; F46-I600 HydrophobicContact CZ-CG2 3.69Å; V58-I600 HydrophobicContact CG1-CD1 4.35Å; L62-I600 HydrophobicContact CD1-CD1 4.47Å; L62-I600 HydrophobicContact CD2-CB 4.06Å; L62-I600 HydrophobicContact CD2-CD1 4.49Å; L62-I600 HydrophobicContact CD2-CG2 3.61Å; I296-I600 HydrophobicContact CD1-CD1 3.65Å; I296-I600 HydrophobicContact CG1-CD1 4.35Å; A596-I600 WeakPolarHBondContact O-CB 3.24Å; A596-I600 WeakPolarHBondContact O-CD1 3.45Å; A596-I600 WeakPolarHBondContact O-CG1 3.21Å; A596-I600 PolarHBondContact O-N 3.06Å; D598-I600 PolarHBondContact O-N 2.79Å; I600-E602 VanDerWaalsContact C-N 3.33Å; I600-E602 PolarHBondContact O-N 3.46Å; I600-D603 PolarHBondContact O-N 3.3Å; I600-W604 WeakPolarHBondContact O-CB 3.35Å; I600-W604 VanDerWaalsContact O-CD1 3.26Å; I600-W604 PolarHBondContact O-N 2.86Å; I600-W604 VanDerWaalsContact O-N 3.09Å
601	K	98.5	Very high	86.6	Confident	25 Å²	25	59.9 Å²	59.9	11%	0.109	31%	0.307	C	S	.	.	H	α-helix	trans	-59.3	-44.6	176.4	-79.5	174.6	-177.9	179.9	0	112	R61 E64 W68 S597 D598 W604 G605 V606	R61-K601 WeakPolarHBondContact O-CE 3.46Å; R61-K601 PolarHBondContact O-NZ 3.16Å; E64-K601 IonicContact OE2-NZ 3.49Å; E64-K601 PolarHBondContact OE2-NZ 3.43Å; W68-K601 HydrophobicContact CH2-CG 4.14Å; W68-K601 HydrophobicContact CZ3-CG 3.96Å; S597-K601 WeakPolarHBondContact O-CB 3.44Å; S597-K601 VanDerWaalsContact O-CG 3.26Å; S597-K601 WeakPolarHBondContact O-CG 3.31Å; S597-K601 PolarHBondContact O-N 2.93Å; D598-K601 PolarHBondContact O-N 3.13Å; K601-W604 CarbonylContact O-C 3.48Å; K601-W604 PolarHBondContact O-N 3.19Å; K601-G605 PolarHBondContact O-N 3.09Å; K601-V606 HydrophobicContact CB-CB 4Å; K601-V606 HydrophobicContact CB-CG1 4.43Å; K601-V606 HydrophobicContact CG-CB 4.29Å; K601-V606 HydrophobicContact CG-CG1 4.41Å; K601-V606 WeakPolarHBondContact O-CB 3.46Å; K601-V606 PolarHBondContact O-N 3.13Å
602	E	97.7	Very high	83.4	Confident	121 Å²	121	65.1 Å²	65.1	57%	0.565	34%	0.344	S	S	*	.	H	α-helix	trans	-60.4	-52.5	175.3	-176.7	-172.7	-164.8	0	0	111.7	R560 D598 L599 I600 W604 G605	R560-E602 IonicContact CZ-OE2 2.78Å; R560-E602 IonicContact NH1-OE2 2.89Å; R560-E602 PolarHBondContact NH1-OE2 2.98Å; R560-E602 IonicContact NH2-OE2 3.98Å; R560-E602 PolarHBondContact NH2-OE2 2.91Å; D598-E602 WeakPolarHBondContact O-CB 3.48Å; D598-E602 PolarHBondContact O-N 3.39Å; L599-E602 PolarHBondContact O-N 2.95Å; I600-E602 VanDerWaalsContact C-N 3.33Å; I600-E602 PolarHBondContact O-N 3.46Å; E602-W604 PolarHBondContact O-N 2.91Å; E602-W604 VanDerWaalsContact O-N 3.13Å; E602-G605 PolarHBondContact O-N 3.44Å
603	D	98	Very high	80.5	Confident	64 Å²	64	73.3 Å²	73.3	34%	0.342	41%	0.411	S	S	.	.	H	α-helix	trans	-60.8	-26	-178.2	-76.2	-17.5	0	0	0	112.8	R560 R570 L599 I600	R560-D603 IonicContact CZ-OD1 3.5Å; R560-D603 IonicContact CZ-OD2 2.85Å; R560-D603 IonicContact NE-OD1 2.9Å; R560-D603 PolarHBondContact NE-OD1 3.07Å; R560-D603 IonicContact NE-OD2 3.84Å; R560-D603 PolarHBondContact NE-OD2 2.85Å; R560-D603 VanDerWaalsContact NE-OD2 3.17Å; R560-D603 IonicContact NH2-OD1 3.97Å; R560-D603 PolarHBondContact NH2-OD1 3.41Å; R560-D603 IonicContact NH2-OD2 3.23Å; R560-D603 PolarHBondContact NH2-OD2 3.23Å; R570-D603 IonicContact CZ-OD2 2.68Å; R570-D603 VanDerWaalsContact CZ-OD2 3.23Å; R570-D603 IonicContact NH1-OD2 3.06Å; R570-D603 PolarHBondContact NH1-OD2 2.98Å; R570-D603 IonicContact NH2-OD2 3.4Å; R570-D603 PolarHBondContact NH2-OD2 3.36Å; L599-D603 WeakPolarHBondContact O-CB 3.42Å; L599-D603 PolarHBondContact O-N 2.91Å; I600-D603 PolarHBondContact O-N 3.3Å
604	W	97.2	Very high	79.6	Confident	87 Å²	87	77 Å²	77	33%	0.33	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104	16.9	178.1	-72.8	99.2	0	0	0	114.2	F46 W68 R293 E294 I600 K601 E602 V606	F46-W604 AromaticContact CZ-CD1 3.84Å; F46-W604 HydrophobicContact CZ-CG 4.24Å; W68-W604 HydrophobicContact CH2-CB 3.84Å; W68-W604 HydrophobicContact CZ2-CB 3.61Å; W68-W604 HydrophobicContact CZ2-CG 4.46Å; R293-W604 HydrophobicContact CB-CD2 4.24Å; R293-W604 HydrophobicContact CB-CH2 3.77Å; R293-W604 HydrophobicContact CB-CZ2 3.41Å; R293-W604 VanDerWaalsContact CB-CZ2 3.41Å; R293-W604 HydrophobicContact CB-CZ3 4.32Å; R293-W604 HydrophobicContact CG-CD2 4.14Å; R293-W604 HydrophobicContact CG-CE3 4.04Å; R293-W604 HydrophobicContact CG-CH2 3.76Å; R293-W604 HydrophobicContact CG-CZ2 3.89Å; R293-W604 HydrophobicContact CG-CZ3 3.84Å; E294-W604 HydrophobicContact CG-CZ2 4.05Å; E294-W604 PolarHBondContact OE1-NE1 2.81Å; I600-W604 WeakPolarHBondContact O-CB 3.35Å; I600-W604 VanDerWaalsContact O-CD1 3.26Å; I600-W604 PolarHBondContact O-N 2.86Å; I600-W604 VanDerWaalsContact O-N 3.09Å; K601-W604 CarbonylContact O-C 3.48Å; K601-W604 PolarHBondContact O-N 3.19Å; E602-W604 PolarHBondContact O-N 2.91Å; E602-W604 VanDerWaalsContact O-N 3.13Å; W604-V606 PolarHBondContact O-N 3.23Å
605	G	93.6	Very high	78.5	Confident	64 Å²	64	81 Å²	81	66%	0.66	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	76	16.2	168	0	0	0	0	0	115.8	K601 E602 R607	K601-G605 PolarHBondContact O-N 3.09Å; E602-G605 PolarHBondContact O-N 3.44Å; G605-R607 PolarHBondContact O-N 3.15Å
606	V	89.9	Confident	77.4	Confident	47 Å²	47	85 Å²	85	29%	0.285	48%	0.478	S	S	.	.			trans	-79.1	101.9	173.7	179.9	0	0	0	0	108.3	V65 W68 K601 W604	V65-V606 HydrophobicContact CG1-CG2 4.22Å; V65-V606 HydrophobicContact CG2-CG1 4.07Å; V65-V606 HydrophobicContact CG2-CG2 4.13Å; W68-V606 HydrophobicContact CH2-CB 4.5Å; W68-V606 HydrophobicContact CH2-CG2 3.48Å; W68-V606 VanDerWaalsContact CH2-CG2 3.48Å; W68-V606 HydrophobicContact CZ2-CG2 3.27Å; W68-V606 HydrophobicContact CZ3-CG2 4.31Å; K601-V606 HydrophobicContact CB-CB 4Å; K601-V606 HydrophobicContact CB-CG1 4.43Å; K601-V606 HydrophobicContact CG-CB 4.29Å; K601-V606 HydrophobicContact CG-CG1 4.41Å; K601-V606 WeakPolarHBondContact O-CB 3.46Å; K601-V606 PolarHBondContact O-N 3.13Å; W604-V606 PolarHBondContact O-N 3.23Å
607	R	70.9	Confident	76.2	Confident	231 Å²	231	89.9 Å²	89.9	87%	0.872	51%	0.505	S	S	*	.	P	Polyproline II helix	trans	-63.3	137.7	172.4	-65.8	-175	-178.9	-176.4	0.1	109.4	G605 A609	G605-R607 PolarHBondContact O-N 3.15Å; R607-A609 PolarHBondContact O-N 3.05Å
608	R	57.8	Low	74.7	Confident	156 Å²	156	95.6 Å²	95.6	59%	0.589	54%	0.537	S	S	*	.	P	Polyproline II helix	trans	-55.2	126.7	167.7	-77.6	-176.4	173.4	153.2	4.4	107.7	K165 D598 H610	K165-R608 VanDerWaalsContact NZ-CZ 3.29Å; K165-R608 VanDerWaalsContact NZ-NH2 3.1Å; D598-R608 IonicContact OD2-CZ 3.43Å; D598-R608 IonicContact OD2-NE 3.01Å; D598-R608 IonicContact OD2-NH2 3.74Å; D598-R608 PolarHBondContact OD2-NH2 2.68Å; R608-H610 PolarHBondContact O-N 3.44Å; R608-H610 VanDerWaalsContact O-N 3.12Å
609	A	52.9	Low	73.2	Confident	90 Å²	90	100.3 Å²	100.3	74%	0.744	56%	0.564	S	S	*	*	P	Polyproline II helix	trans	-59.8	117.8	158.6	0	0	0	0	0	105.3	R607 T611	R607-A609 PolarHBondContact O-N 3.05Å; A609-T611 PolarHBondContact O-N 3Å
610	H	36.8	Very low	71.4	Confident	187 Å²	187	106.1 Å²	106.1	87%	0.866	60%	0.597	S	S	*	*			trans	-58.4	107.5	168.7	-83.9	-65.1	0	0	0	106.6	R608 S612	R608-H610 PolarHBondContact O-N 3.44Å; R608-H610 VanDerWaalsContact O-N 3.12Å; H610-S612 VanDerWaalsContact C-N 3.27Å; H610-S612 PolarHBondContact O-N 3.21Å
611	T	38.1	Very low	69.3	Low	131 Å²	131	114.3 Å²	114.3	80%	0.804	64%	0.643	S	S	*	*			trans	-66.4	99.5	155.9	45.9	0	0	0	0	104.7	A609 A613	A609-T611 PolarHBondContact O-N 3Å; T611-A613 PolarHBondContact O-N 3.12Å; T611-A613 VanDerWaalsContact O-N 3.15Å
612	S	32.5	Very low	66.8	Low	112 Å²	112	121.8 Å²	121.8	78%	0.783	69%	0.688	S	S	*	*			trans	-54.4	117.2	159.9	49.4	0	0	0	0	106.3	H610	H610-S612 VanDerWaalsContact C-N 3.27Å; H610-S612 PolarHBondContact O-N 3.21Å
613	A	36.6	Very low	64	Low	171 Å²	171	121.8 Å²	121.8	100%	1.413	70%	0.699	S	S	*	*			trans	-59.1	0	173.1	0	0	0	0	0	110.8	T611	T611-A613 PolarHBondContact O-N 3.12Å; T611-A613 VanDerWaalsContact O-N 3.15Å

Retrieved 613 of 613 residues in 1421 ms (Link to these results)

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