A0A087Y801_POEFO Loading...

Proteoglycan 4b

AlphaFold DB , UniProt , Accession A0A087Y801, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 674 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	52.9	Low	71.5	Confident	216 Å²	216	111.4 Å²	111.4	100%	1.064	61%	0.611	S	S	*	*				0	153.9	0	-75.5	171.2	165.6	0	0	108.8
2	S	71.5	Confident	71.5	Confident	70 Å²	70	111.4 Å²	111.4	49%	0.49	61%	0.609	S	S	.	*			trans	-80.2	153.3	-179.1	-179.2	0	0	0	0	111.8	K4 T5 F6	S2-K4 PolarHBondContact O-N 2.67Å; S2-T5 WeakPolarHBondContact CA-OG1 3.49Å; S2-T5 PolarHBondContact N-OG1 3.34Å; S2-T5 PolarHBondContact O-N 3.12Å; S2-T5 PolarHBondContact O-OG1 3.03Å; S2-F6 PolarHBondContact O-N 3.28Å; S2-F6 VanDerWaalsContact O-N 3.12Å
3	S	71.5	Confident	71.6	Confident	101 Å²	101	109.2 Å²	109.2	71%	0.706	60%	0.601	S	S	*	*	H	α-helix	trans	-53.4	-41.5	172.9	175.1	0	0	0	0	111.6	T5 F6 M7	S3-T5 VanDerWaalsContact C-N 3.35Å; S3-T5 PolarHBondContact O-N 2.95Å; S3-F6 WeakPolarHBondContact O-CB 3.36Å; S3-F6 PolarHBondContact O-N 3.11Å; S3-F6 VanDerWaalsContact O-N 3.11Å; S3-M7 PolarHBondContact O-N 3.36Å
4	K	69.6	Low	71.1	Confident	169 Å²	169	107.3 Å²	107.3	74%	0.735	60%	0.597	S	S	*	*	H	α-helix	trans	-60	-39.9	175.8	-64.2	-172.4	178.3	-175.2	0	112.8	S2 M7 V8	S2-K4 PolarHBondContact O-N 2.67Å; K4-M7 PolarHBondContact O-N 3.03Å; K4-V8 WeakPolarHBondContact O-CG2 3.5Å; K4-V8 PolarHBondContact O-N 2.94Å
5	T	73.9	Confident	70.6	Confident	77 Å²	77	103.5 Å²	103.5	47%	0.472	59%	0.585	S	S	.	*	H	α-helix	trans	-69.7	-31.7	176.2	42.6	0	0	0	0	112.9	S2 S3 A9	S2-T5 WeakPolarHBondContact CA-OG1 3.49Å; S2-T5 PolarHBondContact N-OG1 3.34Å; S2-T5 PolarHBondContact O-N 3.12Å; S2-T5 PolarHBondContact O-OG1 3.03Å; S3-T5 VanDerWaalsContact C-N 3.35Å; S3-T5 PolarHBondContact O-N 2.95Å; T5-A9 VanDerWaalsContact O-CB 3.31Å; T5-A9 WeakPolarHBondContact O-CB 3.31Å; T5-A9 PolarHBondContact O-N 2.97Å; T5-A9 VanDerWaalsContact O-N 3.09Å
6	F	73.7	Confident	70	Confident	135 Å²	135	103.3 Å²	103.3	59%	0.592	58%	0.581	S	S	*	*	H	α-helix	trans	-68.2	-44.8	173.1	-115.6	-85.7	0	0	0	111.6	S2 S3 A9 T10	S2-F6 PolarHBondContact O-N 3.28Å; S2-F6 VanDerWaalsContact O-N 3.12Å; S3-F6 WeakPolarHBondContact O-CB 3.36Å; S3-F6 PolarHBondContact O-N 3.11Å; S3-F6 VanDerWaalsContact O-N 3.11Å; F6-A9 PolarHBondContact O-N 3.22Å; F6-T10 PolarHBondContact O-N 3.09Å; F6-T10 PolarHBondContact O-OG1 3.4Å
7	M	72.6	Confident	69.4	Low	125 Å²	125	106.1 Å²	106.1	62%	0.616	59%	0.586	S	S	*	*	H	α-helix	trans	-65.2	-39.3	179.2	-168.9	180	-173.5	0	0	112.9	S3 K4 T10 L11	S3-M7 PolarHBondContact O-N 3.36Å; K4-M7 PolarHBondContact O-N 3.03Å; M7-T10 PolarHBondContact O-OG1 2.92Å; M7-T10 VanDerWaalsContact O-OG1 3.09Å; M7-L11 HydrophobicContact CG-CD1 4.29Å; M7-L11 WeakPolarHBondContact O-CB 3.32Å; M7-L11 WeakPolarHBondContact O-CG 3.39Å; M7-L11 PolarHBondContact O-N 3.45Å
8	V	77.1	Confident	68.7	Low	96 Å²	96	108.1 Å²	108.1	58%	0.582	59%	0.588	S	S	*	*	H	α-helix	trans	-67.7	-39.7	174.1	172.2	0	0	0	0	111	K4 L11 L12	K4-V8 WeakPolarHBondContact O-CG2 3.5Å; K4-V8 PolarHBondContact O-N 2.94Å; V8-L11 PolarHBondContact O-N 3.28Å; V8-L12 WeakPolarHBondContact O-CB 3.36Å; V8-L12 PolarHBondContact O-N 3.09Å
9	A	76.4	Confident	68.2	Low	52 Å²	52	108 Å²	108	43%	0.43	59%	0.586	S	S	.	*	H	α-helix	trans	-64	-43.5	176.4	0	0	0	0	0	112.4	T5 F6 L12 V13	T5-A9 VanDerWaalsContact O-CB 3.31Å; T5-A9 WeakPolarHBondContact O-CB 3.31Å; T5-A9 PolarHBondContact O-N 2.97Å; T5-A9 VanDerWaalsContact O-N 3.09Å; F6-A9 PolarHBondContact O-N 3.22Å; A9-L12 PolarHBondContact O-N 3.02Å; A9-V13 WeakPolarHBondContact O-CB 3.31Å; A9-V13 VanDerWaalsContact O-CG2 3.31Å; A9-V13 WeakPolarHBondContact O-CG2 3.49Å; A9-V13 PolarHBondContact O-N 2.88Å
10	T	75.2	Confident	67.7	Low	76 Å²	76	106.6 Å²	106.6	47%	0.466	58%	0.584	S	S	.	*	H	α-helix	trans	-67.4	-40.2	176.4	52.1	0	0	0	0	112.1	F6 M7 L12 V13 C14	F6-T10 PolarHBondContact O-N 3.09Å; F6-T10 PolarHBondContact O-OG1 3.4Å; M7-T10 PolarHBondContact O-OG1 2.92Å; M7-T10 VanDerWaalsContact O-OG1 3.09Å; T10-L12 PolarHBondContact O-N 3.3Å; T10-V13 PolarHBondContact O-N 3.39Å; T10-C14 WeakPolarHBondContact O-CB 3.37Å; T10-C14 PolarHBondContact O-N 3.49Å; T10-C14 PolarHBondContact O-SG 2.96Å
11	L	71.6	Confident	67.2	Low	108 Å²	108	104 Å²	104	57%	0.565	57%	0.573	S	S	*	*	H	α-helix	trans	-61.3	-42.4	173.4	-77	168.6	0	0	0	112.3	M7 V8 C14 A15	M7-L11 HydrophobicContact CG-CD1 4.29Å; M7-L11 WeakPolarHBondContact O-CB 3.32Å; M7-L11 WeakPolarHBondContact O-CG 3.39Å; M7-L11 PolarHBondContact O-N 3.45Å; V8-L11 PolarHBondContact O-N 3.28Å; L11-C14 PolarHBondContact O-N 3.35Å; L11-A15 WeakPolarHBondContact O-CB 3.46Å; L11-A15 PolarHBondContact O-N 3.34Å
12	L	72.5	Confident	67.8	Low	112 Å²	112	96 Å²	96	59%	0.586	53%	0.533	S	S	*	.	H	α-helix	trans	-65.4	-43.4	177.4	-163.4	78.1	0	0	0	111.7	V8 A9 T10 A15 L16	V8-L12 WeakPolarHBondContact O-CB 3.36Å; V8-L12 PolarHBondContact O-N 3.09Å; A9-L12 PolarHBondContact O-N 3.02Å; T10-L12 PolarHBondContact O-N 3.3Å; L12-A15 PolarHBondContact O-N 3.45Å; L12-L16 HydrophobicContact CG-CD1 4.29Å; L12-L16 WeakPolarHBondContact O-CB 3.47Å; L12-L16 VanDerWaalsContact O-CG 3.29Å; L12-L16 WeakPolarHBondContact O-CG 3.21Å; L12-L16 PolarHBondContact O-N 2.98Å
13	V	72.4	Confident	68	Low	83 Å²	83	96.4 Å²	96.4	50%	0.503	53%	0.534	S	S	.	.	H	α-helix	trans	-63.5	-42.1	175.7	169.4	0	0	0	0	111.3	A9 T10 L16 K17	A9-V13 WeakPolarHBondContact O-CB 3.31Å; A9-V13 VanDerWaalsContact O-CG2 3.31Å; A9-V13 WeakPolarHBondContact O-CG2 3.49Å; A9-V13 PolarHBondContact O-N 2.88Å; T10-V13 PolarHBondContact O-N 3.39Å; V13-L16 PolarHBondContact O-N 3.47Å; V13-K17 WeakPolarHBondContact O-CB 3.42Å; V13-K17 WeakPolarHBondContact O-CG 3.39Å; V13-K17 PolarHBondContact O-N 2.94Å
14	C	64.6	Low	68.8	Low	82 Å²	82	93 Å²	93	55%	0.554	51%	0.51	S	S	*	.	H	α-helix	trans	-63	-44.3	174.6	-74.2	0	0	0	0	112	T10 L11 K17 F18	T10-C14 WeakPolarHBondContact O-CB 3.37Å; T10-C14 PolarHBondContact O-N 3.49Å; T10-C14 PolarHBondContact O-SG 2.96Å; L11-C14 PolarHBondContact O-N 3.35Å; C14-K17 PolarHBondContact O-N 2.89Å; C14-F18 WeakPolarHBondContact O-CB 3.29Å; C14-F18 PolarHBondContact O-N 2.95Å
15	A	64.2	Low	69.8	Low	50 Å²	50	85 Å²	85	41%	0.413	48%	0.475	S	S	.	.	H	α-helix	trans	-62	-44.7	176.8	0	0	0	0	0	112.1	L11 L12 K17 F18 I19	L11-A15 WeakPolarHBondContact O-CB 3.46Å; L11-A15 PolarHBondContact O-N 3.34Å; L12-A15 PolarHBondContact O-N 3.45Å; A15-K17 PolarHBondContact O-N 3.41Å; A15-F18 PolarHBondContact O-N 3.3Å; A15-F18 VanDerWaalsContact O-N 3.15Å; A15-I19 WeakPolarHBondContact O-CG1 3.45Å; A15-I19 PolarHBondContact O-N 3.03Å
16	L	59.5	Low	70.7	Confident	100 Å²	100	90.9 Å²	90.9	52%	0.524	49%	0.488	S	S	.	.	H	α-helix	trans	-61.9	-43.5	176.1	-71.7	167.3	0	0	0	111.8	L12 V13 F18 I19 S20	L12-L16 HydrophobicContact CG-CD1 4.29Å; L12-L16 WeakPolarHBondContact O-CB 3.47Å; L12-L16 VanDerWaalsContact O-CG 3.29Å; L12-L16 WeakPolarHBondContact O-CG 3.21Å; L12-L16 PolarHBondContact O-N 2.98Å; V13-L16 PolarHBondContact O-N 3.47Å; L16-F18 VanDerWaalsContact C-N 3.29Å; L16-F18 PolarHBondContact O-N 3.17Å; L16-I19 PolarHBondContact O-N 3.39Å; L16-S20 PolarHBondContact O-N 3.3Å; L16-S20 PolarHBondContact O-OG 2.96Å
17	K	59.7	Low	71.3	Confident	152 Å²	152	88.3 Å²	88.3	66%	0.661	50%	0.5	S	S	*	.	H	α-helix	trans	-58.2	-40.6	172.5	-71.6	-79.5	-175.6	175.8	0	112.1	V13 C14 A15 S21	V13-K17 WeakPolarHBondContact O-CB 3.42Å; V13-K17 WeakPolarHBondContact O-CG 3.39Å; V13-K17 PolarHBondContact O-N 2.94Å; C14-K17 PolarHBondContact O-N 2.89Å; A15-K17 PolarHBondContact O-N 3.41Å; K17-S21 WeakPolarHBondContact O-CB 3.36Å; K17-S21 PolarHBondContact O-N 3.39Å; K17-S21 PolarHBondContact O-OG 2.88Å
18	F	57.3	Low	72	Confident	141 Å²	141	84.2 Å²	84.2	62%	0.618	48%	0.478	S	S	*	.	H	α-helix	trans	-72.4	-28	-179.1	-145.8	-90.3	0	0	0	113.4	C14 A15 L16 S21 Q22	C14-F18 WeakPolarHBondContact O-CB 3.29Å; C14-F18 PolarHBondContact O-N 2.95Å; A15-F18 PolarHBondContact O-N 3.3Å; A15-F18 VanDerWaalsContact O-N 3.15Å; L16-F18 VanDerWaalsContact C-N 3.29Å; L16-F18 PolarHBondContact O-N 3.17Å; F18-S21 PolarHBondContact O-OG 3.24Å; F18-Q22 WeakPolarHBondContact O-CG 3.39Å; F18-Q22 PolarHBondContact O-NE2 2.88Å
19	I	60.5	Low	72.6	Confident	107 Å²	107	82.1 Å²	82.1	55%	0.549	47%	0.466	S	S	.	.	H	α-helix	trans	-75	-46.6	172.9	-66.7	162.4	0	0	0	109.9	A15 L16 S21 Q22 T23	A15-I19 WeakPolarHBondContact O-CG1 3.45Å; A15-I19 PolarHBondContact O-N 3.03Å; L16-I19 PolarHBondContact O-N 3.39Å; I19-S21 VanDerWaalsContact C-N 3.32Å; I19-S21 PolarHBondContact O-N 3.15Å; I19-Q22 PolarHBondContact O-N 3.04Å; I19-T23 PolarHBondContact O-OG1 2.91Å
20	S	56.7	Low	73	Confident	79 Å²	79	81.4 Å²	81.4	55%	0.552	46%	0.464	S	S	*	.	H	α-helix	trans	-66.2	-28.8	179	-58.9	0	0	0	0	114	L16	L16-S20 PolarHBondContact O-N 3.3Å; L16-S20 PolarHBondContact O-OG 2.96Å
21	S	57	Low	73.4	Confident	52 Å²	52	80.1 Å²	80.1	36%	0.364	46%	0.461	S	S	.	.	H	α-helix	trans	-75.1	-25.6	178.5	63	0	0	0	0	113.6	K17 F18 I19 S24 R28	K17-S21 WeakPolarHBondContact O-CB 3.36Å; K17-S21 PolarHBondContact O-N 3.39Å; K17-S21 PolarHBondContact O-OG 2.88Å; F18-S21 PolarHBondContact O-OG 3.24Å; I19-S21 VanDerWaalsContact C-N 3.32Å; I19-S21 PolarHBondContact O-N 3.15Å; S21-S24 VanDerWaalsContact O-O 3.13Å; S21-R28 WeakPolarHBondContact O-CD 3.42Å; S21-R28 PolarHBondContact O-NH1 3.49Å
22	Q	66.6	Low	73.9	Confident	48 Å²	48	83.5 Å²	83.5	22%	0.224	47%	0.474	C	S	.	.	H	α-helix	trans	-84.8	-17.7	-176.6	-74.1	178.4	96.3	0	0	114.1	F18 I19 M38 C39	F18-Q22 WeakPolarHBondContact O-CG 3.39Å; F18-Q22 PolarHBondContact O-NE2 2.88Å; I19-Q22 PolarHBondContact O-N 3.04Å; Q22-M38 HydrophobicContact CB-CG 4.4Å; Q22-C39 PolarHBondContact O-SG 3.49Å
23	T	76.1	Confident	74.5	Confident	80 Å²	80	84 Å²	84	49%	0.491	47%	0.469	S	S	.	.	S	Bend	trans	-105.6	-2.4	-178.9	54.7	0	0	0	0	114.2	I19	I19-T23 PolarHBondContact O-OG1 2.91Å
24	S	88.3	Confident	74.9	Confident	30 Å²	30	87.3 Å²	87.3	21%	0.21	47%	0.474	C	S	.	.			trans	-130.1	146.3	-179.3	170.1	0	0	0	0	111	S21 R26 R28 D54	S21-S24 VanDerWaalsContact O-O 3.13Å; S24-R26 WeakPolarHBondContact OG-CB 3.09Å; S24-R26 PolarHBondContact OG-N 2.56Å; S24-R26 VanDerWaalsContact OG-N 3.13Å; S24-R28 PolarHBondContact O-NH1 3.13Å; S24-D54 WeakPolarHBondContact CA-OD1 3.07Å; S24-D54 WeakPolarHBondContact CA-OD2 3.33Å; S24-D54 WeakPolarHBondContact CB-OD2 3Å; S24-D54 PolarHBondContact OG-OD2 3.36Å
25	C	91	Very high	75.7	Confident	0 Å²	0	93.7 Å²	93.7	0%	0	49%	0.486	C	S	.	.			trans	-91.2	2.9	172.5	-68.4	0	0	0	0	115	G27 R28 C29 Q40 C41 C52 D54 Q58 C59	C25-G27 PolarHBondContact O-N 2.94Å; C25-R28 PolarHBondContact O-N 3.46Å; C25-C29 PolarHBondContact O-N 3.32Å; C25-C29 PolarHBondContact O-SG 2.96Å; C25-C29 VanDerWaalsContact O-SG 3.36Å; C25-Q40 PolarHBondContact SG-O 3.41Å; C25-Q40 VanDerWaalsContact SG-O 3.39Å; C25-C41 WeakPolarHBondContact CA-SG 3.43Å; C25-C41 HydrophobicContact CB-CB 3.77Å; C25-C41 WeakPolarHBondContact CB-SG 3.34Å; C25-C41 VanDerWaalsContact SG-CA 3.52Å; C25-C41 WeakPolarHBondContact SG-CB 3.05Å; C25-C41 CovalentContact SG-SG 2.03Å; C25-C41 PolarHBondContact SG-SG 3.33Å; C25-C52 WeakPolarHBondContact SG-CB 3.01Å; C25-C52 VanDerWaalsContact SG-SG 3.62Å; C25-D54 VanDerWaalsContact N-CG 3.35Å; C25-D54 PolarHBondContact N-OD1 3.13Å; C25-D54 PolarHBondContact N-OD2 2.99Å; C25-D54 VanDerWaalsContact N-OD2 3.07Å; C25-Q58 HydrophobicContact CB-CB 4.38Å; C25-C59 WeakPolarHBondContact CB-SG 3.22Å
26	R	91.5	Very high	76.3	Confident	200 Å²	200	93.2 Å²	93.2	76%	0.755	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	102.5	177.9	-174.7	170.8	-178.9	158.3	2.4	111	S24 Q58	S24-R26 WeakPolarHBondContact OG-CB 3.09Å; S24-R26 PolarHBondContact OG-N 2.56Å; S24-R26 VanDerWaalsContact OG-N 3.13Å; R26-Q58 HydrophobicContact CB-CG 4.27Å
27	G	86.1	Confident	77.4	Confident	81 Å²	81	90.2 Å²	90.2	84%	0.835	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.1	8.3	-175	0	0	0	0	0	115.5	C25	C25-G27 PolarHBondContact O-N 2.94Å
28	R	87.4	Confident	78.5	Confident	40 Å²	40	90 Å²	90	15%	0.151	47%	0.474	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.6	2.4	176.8	-71.4	172.3	59.2	-135.3	-4.6	113.9	S21 S24 C25 G30 A31 N37 C39 C41	S21-R28 WeakPolarHBondContact O-CD 3.42Å; S21-R28 PolarHBondContact O-NH1 3.49Å; S24-R28 PolarHBondContact O-NH1 3.13Å; C25-R28 PolarHBondContact O-N 3.46Å; R28-G30 PolarHBondContact O-N 2.84Å; R28-A31 WeakPolarHBondContact O-CB 3.28Å; R28-A31 PolarHBondContact O-N 3.05Å; R28-A31 VanDerWaalsContact O-N 3.09Å; R28-N37 PolarHBondContact NH2-ND2 3.37Å; R28-C39 PolarHBondContact NH2-O 3.09Å; R28-C41 HydrophobicContact CB-CB 3.85Å; R28-C41 VanDerWaalsContact CZ-SG 3.6Å; R28-C41 WeakPolarHBondContact O-CB 3.21Å
29	C	89.6	Confident	80	Confident	51 Å²	51	84.2 Å²	84.2	35%	0.345	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	121.8	-177.3	-59.4	0	0	0	0	113.1	C25 A31 Q58 C59	C25-C29 PolarHBondContact O-N 3.32Å; C25-C29 PolarHBondContact O-SG 2.96Å; C25-C29 VanDerWaalsContact O-SG 3.36Å; C29-A31 VanDerWaalsContact C-N 3.31Å; C29-Q58 VanDerWaalsContact SG-C 3.55Å; C29-Q58 PolarHBondContact SG-O 2.53Å; C29-Q58 VanDerWaalsContact SG-O 3.4Å; C29-C59 WeakPolarHBondContact CA-SG 3.19Å; C29-C59 HydrophobicContact CB-CB 3.59Å; C29-C59 WeakPolarHBondContact CB-SG 3.08Å; C29-C59 WeakPolarHBondContact SG-CA 3.33Å; C29-C59 WeakPolarHBondContact SG-CB 3.06Å; C29-C59 CovalentContact SG-SG 2.03Å; C29-C59 PolarHBondContact SG-SG 2.98Å
30	G	85	Confident	81.5	Confident	37 Å²	37	79.4 Å²	79.4	38%	0.381	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.1	13.3	-177.1	0	0	0	0	0	114.4	R28 C41	R28-G30 PolarHBondContact O-N 2.84Å; G30-C41 PolarHBondContact N-O 2.82Å
31	A	83.7	Confident	83.1	Confident	49 Å²	49	75.8 Å²	75.8	41%	0.405	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-65	158.5	167	0	0	0	0	0	111	R28 C29 D42	R28-A31 WeakPolarHBondContact O-CB 3.28Å; R28-A31 PolarHBondContact O-N 3.05Å; R28-A31 VanDerWaalsContact O-N 3.09Å; C29-A31 VanDerWaalsContact C-N 3.31Å; A31-D42 VanDerWaalsContact O-CA 3.28Å; A31-D42 WeakPolarHBondContact O-CA 3.42Å; A31-D42 WeakPolarHBondContact O-CB 3.47Å
32	E	82.6	Confident	84.7	Confident	179 Å²	179	74 Å²	74	84%	0.836	39%	0.387	S	S	*	.	P	Polyproline II helix	trans	-68.5	155.3	174.6	-65.7	-179.9	177.5	0	0	112.3	Y34	E32-Y34 PolarHBondContact O-N 3.27Å
33	Y	84	Confident	85.6	Confident	123 Å²	123	75.3 Å²	75.3	48%	0.482	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-59.4	123.8	174.8	175.7	-89.5	0	0	0	111.1	R35 Q40 E50	Y33-R35 HydrophobicContact CE1-CB 4.07Å; Y33-Q40 HydrophobicContact CD2-CG 3.89Å; Y33-Q40 HydrophobicContact CE2-CG 3.97Å; Y33-E50 WeakPolarHBondContact CE2-OE2 3.27Å
34	Y	82.3	Confident	86	Confident	152 Å²	152	75 Å²	75	60%	0.596	39%	0.39	S	S	*	.			trans	-130.1	114.7	174.5	-179.1	-104	0	0	0	111.7	E32 G36 N37 Q40	E32-Y34 PolarHBondContact O-N 3.27Å; Y34-G36 VanDerWaalsContact CE1-CA 3.5Å; Y34-G36 PolarHBondContact O-N 3.3Å; Y34-N37 WeakPolarHBondContact O-CB 3.32Å; Y34-N37 PolarHBondContact O-N 2.86Å; Y34-N37 PolarHBondContact O-ND2 3.35Å; Y34-Q40 PolarHBondContact O-NE2 3.03Å; Y34-Q40 PolarHBondContact O-OE1 3.01Å
35	R	79.8	Confident	85.9	Confident	216 Å²	216	73.6 Å²	73.6	82%	0.815	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-18	-173.8	-164.6	-177.1	179.8	97	0.5	114.8	Y33	Y33-R35 HydrophobicContact CE1-CB 4.07Å
36	G	78.2	Confident	85.3	Confident	41 Å²	41	76.5 Å²	76.5	42%	0.423	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-10.8	176.6	0	0	0	0	0	114.8	Y34	Y34-G36 VanDerWaalsContact CE1-CA 3.5Å; Y34-G36 PolarHBondContact O-N 3.3Å
37	N	81.9	Confident	84.7	Confident	36 Å²	36	70.5 Å²	70.5	19%	0.193	39%	0.385	C	S	.	.	S	Bend	trans	-70.7	147	177	-65.5	-31	0	0	0	111.3	R28 Y34 C39 Q40	R28-N37 PolarHBondContact NH2-ND2 3.37Å; Y34-N37 WeakPolarHBondContact O-CB 3.32Å; Y34-N37 PolarHBondContact O-N 2.86Å; Y34-N37 PolarHBondContact O-ND2 3.35Å; N37-C39 VanDerWaalsContact C-N 3.29Å; N37-C39 WeakPolarHBondContact CB-O 3.45Å; N37-Q40 PolarHBondContact ND2-OE1 3.4Å
38	M	82.6	Confident	84.4	Confident	147 Å²	147	74.5 Å²	74.5	72%	0.724	38%	0.376	S	S	*	.	S	Bend	trans	-70.6	-26.7	170.6	-65.6	-91.6	69.5	0	0	112.7	Q22	Q22-M38 HydrophobicContact CB-CG 4.4Å
39	C	88.7	Confident	84.1	Confident	21 Å²	21	79.8 Å²	79.8	14%	0.142	41%	0.407	C	S	.	.	S	Bend	trans	-156.2	150.8	173.1	52.9	0	0	0	0	110.1	Q22 R28 N37 C52	Q22-C39 PolarHBondContact O-SG 3.49Å; R28-C39 PolarHBondContact NH2-O 3.09Å; N37-C39 VanDerWaalsContact C-N 3.29Å; N37-C39 WeakPolarHBondContact CB-O 3.45Å; C39-C52 VanDerWaalsContact C-SG 3.53Å; C39-C52 HydrophobicContact CB-CB 3.86Å; C39-C52 WeakPolarHBondContact CB-SG 3.39Å; C39-C52 PolarHBondContact O-SG 2.89Å; C39-C52 WeakPolarHBondContact SG-CA 3Å; C39-C52 WeakPolarHBondContact SG-CB 3.35Å; C39-C52 CovalentContact SG-SG 2.03Å; C39-C52 PolarHBondContact SG-SG 3.33Å
40	Q	91.9	Very high	84.1	Confident	6 Å²	6	81.6 Å²	81.6	3%	0.028	41%	0.41	C	S	.	.	B	Isolated β-bridge	trans	-93.5	165.1	-175.9	-50.7	-58.7	-9.5	0	0	112.6	C25 Y33 Y34 N37 D42 C45 E50 C51 C52	C25-Q40 PolarHBondContact SG-O 3.41Å; C25-Q40 VanDerWaalsContact SG-O 3.39Å; Y33-Q40 HydrophobicContact CD2-CG 3.89Å; Y33-Q40 HydrophobicContact CE2-CG 3.97Å; Y34-Q40 PolarHBondContact O-NE2 3.03Å; Y34-Q40 PolarHBondContact O-OE1 3.01Å; N37-Q40 PolarHBondContact ND2-OE1 3.4Å; Q40-D42 VanDerWaalsContact CB-OD2 3.26Å; Q40-D42 WeakPolarHBondContact CB-OD2 3.29Å; Q40-C45 HydrophobicContact CB-CB 3.96Å; Q40-E50 HydrophobicContact CG-CB 4.18Å; Q40-E50 PolarHBondContact N-O 2.6Å; Q40-C51 CarbonylContact O-C 3.57Å; Q40-C51 WeakPolarHBondContact O-CA 3.46Å; Q40-C52 PolarHBondContact O-N 2.83Å
41	C	91.4	Very high	84.4	Confident	3 Å²	3	81.2 Å²	81.2	2%	0.02	40%	0.401	C	S	.	.			trans	-141.2	9.5	-177.7	-57.9	0	0	0	0	112.7	C25 R28 G30	C25-C41 WeakPolarHBondContact CA-SG 3.43Å; C25-C41 HydrophobicContact CB-CB 3.77Å; C25-C41 WeakPolarHBondContact CB-SG 3.34Å; C25-C41 VanDerWaalsContact SG-CA 3.52Å; C25-C41 WeakPolarHBondContact SG-CB 3.05Å; C25-C41 CovalentContact SG-SG 2.03Å; C25-C41 PolarHBondContact SG-SG 3.33Å; R28-C41 HydrophobicContact CB-CB 3.85Å; R28-C41 VanDerWaalsContact CZ-SG 3.6Å; R28-C41 WeakPolarHBondContact O-CB 3.21Å; G30-C41 PolarHBondContact N-O 2.82Å
42	D	89.9	Confident	84.7	Confident	15 Å²	15	79.1 Å²	79.1	8%	0.08	38%	0.384	C	S	.	.	S	Bend	trans	-68.1	162	170.6	70.8	92.2	0	0	0	110.2	A31 Q40 T44 C45	A31-D42 VanDerWaalsContact O-CA 3.28Å; A31-D42 WeakPolarHBondContact O-CA 3.42Å; A31-D42 WeakPolarHBondContact O-CB 3.47Å; Q40-D42 VanDerWaalsContact CB-OD2 3.26Å; Q40-D42 WeakPolarHBondContact CB-OD2 3.29Å; D42-T44 PolarHBondContact O-N 2.86Å; D42-T44 WeakPolarHBondContact OD1-CA 3.36Å; D42-T44 WeakPolarHBondContact OD1-CB 3.49Å; D42-T44 PolarHBondContact OD1-N 2.85Å; D42-T44 PolarHBondContact OD1-OG1 3.2Å; D42-C45 PolarHBondContact O-N 2.03Å; D42-C45 PolarHBondContact O-SG 2.83Å; D42-C45 PolarHBondContact OD1-N 3.07Å
43	F	86.3	Confident	85.1	Confident	75 Å²	75	78.9 Å²	78.9	33%	0.329	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-2.7	-176.2	-58.4	-41.1	0	0	0	114.8	K66	F43-K66 HydrophobicContact CE1-CG 4.45Å; F43-K66 HydrophobicContact CZ-CG 4.1Å
44	T	83	Confident	85.4	Confident	72 Å²	72	74.7 Å²	74.7	44%	0.442	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101	-7.4	174.4	75.5	0	0	0	0	113.4	D42 L46 S47 Y48	D42-T44 PolarHBondContact O-N 2.86Å; D42-T44 WeakPolarHBondContact OD1-CA 3.36Å; D42-T44 WeakPolarHBondContact OD1-CB 3.49Å; D42-T44 PolarHBondContact OD1-N 2.85Å; D42-T44 PolarHBondContact OD1-OG1 3.2Å; T44-L46 PolarHBondContact O-N 3.01Å; T44-S47 WeakPolarHBondContact O-CB 3.43Å; T44-S47 PolarHBondContact O-N 3.39Å; T44-Y48 WeakPolarHBondContact O-CD2 3.38Å
45	C	86.4	Confident	85.9	Confident	1 Å²	1	67.6 Å²	67.6	1%	0.007	35%	0.346	C	S	.	.	H	α-helix	trans	-57.5	-25.9	-176.8	71.2	0	0	0	0	113.6	Q40 D42 S47 Y48 D49 E50 C51 Y55	Q40-C45 HydrophobicContact CB-CB 3.96Å; D42-C45 PolarHBondContact O-N 2.03Å; D42-C45 PolarHBondContact O-SG 2.83Å; D42-C45 PolarHBondContact OD1-N 3.07Å; C45-S47 VanDerWaalsContact C-N 3.34Å; C45-Y48 PolarHBondContact O-N 3.36Å; C45-D49 PolarHBondContact O-N 3.42Å; C45-E50 PolarHBondContact O-N 2.03Å; C45-E50 VanDerWaalsContact O-N 3.09Å; C45-C51 HydrophobicContact CB-CB 4Å; C45-C51 WeakPolarHBondContact CB-SG 3.48Å; C45-C51 WeakPolarHBondContact SG-CA 3.42Å; C45-C51 WeakPolarHBondContact SG-CB 3.01Å; C45-C51 CovalentContact SG-SG 2.04Å; C45-C51 PolarHBondContact SG-SG 3.23Å; C45-Y55 VanDerWaalsContact SG-CE2 3.55Å
46	L	79.9	Confident	86.2	Confident	61 Å²	61	61.4 Å²	61.4	32%	0.319	33%	0.327	S	S	.	.	H	α-helix	trans	-66	-34.7	175.2	-72.2	178.2	0	0	0	112.3	T44 Y48 C51 Y55 G67	T44-L46 PolarHBondContact O-N 3.01Å; L46-Y48 VanDerWaalsContact C-N 3.27Å; L46-Y48 PolarHBondContact O-N 2.03Å; L46-C51 PolarHBondContact N-SG 2.99Å; L46-Y55 HydrophobicContact CD1-CE1 3.9Å; L46-Y55 HydrophobicContact CD2-CD1 4.11Å; L46-Y55 HydrophobicContact CD2-CE1 4.01Å; L46-Y55 HydrophobicContact CG-CD1 4.31Å; L46-Y55 HydrophobicContact CG-CE1 3.72Å; L46-G67 VanDerWaalsContact CD1-O 3.3Å; L46-G67 WeakPolarHBondContact CD1-O 3.47Å
47	S	78.6	Confident	86.7	Confident	75 Å²	75	63.4 Å²	63.4	52%	0.524	34%	0.339	S	S	.	.	H	α-helix	trans	-72.5	-22.3	178.6	-54.3	0	0	0	0	112.7	T44 C45	T44-S47 WeakPolarHBondContact O-CB 3.43Å; T44-S47 PolarHBondContact O-N 3.39Å; C45-S47 VanDerWaalsContact C-N 3.34Å
48	Y	79.4	Confident	87.1	Confident	165 Å²	165	65.8 Å²	65.8	65%	0.647	35%	0.349	S	S	*	.	H	α-helix	trans	-107.8	-5.3	-178	-60.5	-67	0	0	0	114	T44 C45 L46 E50	T44-Y48 WeakPolarHBondContact O-CD2 3.38Å; C45-Y48 PolarHBondContact O-N 3.36Å; L46-Y48 VanDerWaalsContact C-N 3.27Å; L46-Y48 PolarHBondContact O-N 2.03Å; Y48-E50 VanDerWaalsContact C-N 3.26Å; Y48-E50 PolarHBondContact O-N 2.77Å
49	D	81.6	Confident	87.4	Confident	151 Å²	151	59.2 Å²	59.2	81%	0.807	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.4	33.3	-174.9	-148.6	24.2	0	0	0	112.7	C45	C45-D49 PolarHBondContact O-N 3.42Å
50	E	89.6	Confident	87.3	Confident	88 Å²	88	59.5 Å²	59.5	41%	0.411	32%	0.319	S	S	.	.			trans	-108.9	4	-177.8	-64	-160.7	172.6	0	0	114.2	Y33 Q40 C45 Y48	Y33-E50 WeakPolarHBondContact CE2-OE2 3.27Å; Q40-E50 HydrophobicContact CG-CB 4.18Å; Q40-E50 PolarHBondContact N-O 2.6Å; C45-E50 PolarHBondContact O-N 2.03Å; C45-E50 VanDerWaalsContact O-N 3.09Å; Y48-E50 VanDerWaalsContact C-N 3.26Å; Y48-E50 PolarHBondContact O-N 2.77Å
51	C	89.6	Confident	86.9	Confident	29 Å²	29	63 Å²	63	20%	0.196	34%	0.34	C	S	.	.	B	Isolated β-bridge	trans	-64.1	152.4	-179.5	-61.2	0	0	0	0	113.6	Q40 C45 L46 Y55	Q40-C51 CarbonylContact O-C 3.57Å; Q40-C51 WeakPolarHBondContact O-CA 3.46Å; C45-C51 HydrophobicContact CB-CB 4Å; C45-C51 WeakPolarHBondContact CB-SG 3.48Å; C45-C51 WeakPolarHBondContact SG-CA 3.42Å; C45-C51 WeakPolarHBondContact SG-CB 3.01Å; C45-C51 CovalentContact SG-SG 2.04Å; C45-C51 PolarHBondContact SG-SG 3.23Å; L46-C51 PolarHBondContact N-SG 2.99Å; C51-Y55 HydrophobicContact CB-CD1 4.18Å; C51-Y55 HydrophobicContact CB-CD2 4.48Å; C51-Y55 HydrophobicContact CB-CG 3.91Å
52	C	91.1	Very high	86.3	Confident	5 Å²	5	71.3 Å²	71.3	3%	0.034	38%	0.376	C	S	.	.			trans	-66.9	151.3	164.8	-57.1	0	0	0	0	111.9	C25 C39 Q40 D54 Y55	C25-C52 WeakPolarHBondContact SG-CB 3.01Å; C25-C52 VanDerWaalsContact SG-SG 3.62Å; C39-C52 VanDerWaalsContact C-SG 3.53Å; C39-C52 HydrophobicContact CB-CB 3.86Å; C39-C52 WeakPolarHBondContact CB-SG 3.39Å; C39-C52 PolarHBondContact O-SG 2.89Å; C39-C52 WeakPolarHBondContact SG-CA 3Å; C39-C52 WeakPolarHBondContact SG-CB 3.35Å; C39-C52 CovalentContact SG-SG 2.03Å; C39-C52 PolarHBondContact SG-SG 3.33Å; Q40-C52 PolarHBondContact O-N 2.83Å; C52-D54 WeakPolarHBondContact CB-OD1 3.4Å; C52-D54 PolarHBondContact O-N 3.46Å; C52-Y55 WeakPolarHBondContact O-CB 3.26Å; C52-Y55 PolarHBondContact O-N 3.14Å
53	N	90	Very high	86	Confident	175 Å²	175	75 Å²	75	94%	0.936	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-23.8	-176.6	-66.6	-31.4	0	0	0	114.3
54	D	91.8	Very high	86.2	Confident	35 Å²	35	72.4 Å²	72.4	19%	0.187	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95	-2.8	178.5	70.4	-25.8	0	0	0	113.7	S24 C25 C52 E56 A57 Q58	S24-D54 WeakPolarHBondContact CA-OD1 3.07Å; S24-D54 WeakPolarHBondContact CA-OD2 3.33Å; S24-D54 WeakPolarHBondContact CB-OD2 3Å; S24-D54 PolarHBondContact OG-OD2 3.36Å; C25-D54 VanDerWaalsContact N-CG 3.35Å; C25-D54 PolarHBondContact N-OD1 3.13Å; C25-D54 PolarHBondContact N-OD2 2.99Å; C25-D54 VanDerWaalsContact N-OD2 3.07Å; C52-D54 WeakPolarHBondContact CB-OD1 3.4Å; C52-D54 PolarHBondContact O-N 3.46Å; D54-E56 VanDerWaalsContact C-N 3.33Å; D54-E56 PolarHBondContact O-N 3.1Å; D54-A57 CarbonylContact O-C 3.44Å; D54-A57 WeakPolarHBondContact O-CA 3.21Å; D54-A57 PolarHBondContact O-N 2.87Å; D54-Q58 HydrophobicContact CB-CG 4.09Å; D54-Q58 WeakPolarHBondContact O-CG 3.39Å; D54-Q58 PolarHBondContact O-N 3.29Å; D54-Q58 VanDerWaalsContact OD2-CG 3.32Å; D54-Q58 WeakPolarHBondContact OD2-CG 3.45Å
55	Y	91.2	Very high	86.5	Confident	2 Å²	2	69 Å²	69	1%	0.008	37%	0.366	C	S	.	.	H	α-helix	trans	-53.8	-44.5	-176.2	173.9	-89.4	0	0	0	112.8	C45 L46 C51 C52 A57 Q58 C59 T60 G67	C45-Y55 VanDerWaalsContact SG-CE2 3.55Å; L46-Y55 HydrophobicContact CD1-CE1 3.9Å; L46-Y55 HydrophobicContact CD2-CD1 4.11Å; L46-Y55 HydrophobicContact CD2-CE1 4.01Å; L46-Y55 HydrophobicContact CG-CD1 4.31Å; L46-Y55 HydrophobicContact CG-CE1 3.72Å; C51-Y55 HydrophobicContact CB-CD1 4.18Å; C51-Y55 HydrophobicContact CB-CD2 4.48Å; C51-Y55 HydrophobicContact CB-CG 3.91Å; C52-Y55 WeakPolarHBondContact O-CB 3.26Å; C52-Y55 PolarHBondContact O-N 3.14Å; Y55-A57 PolarHBondContact O-N 2.98Å; Y55-Q58 PolarHBondContact O-N 2.93Å; Y55-C59 HydrophobicContact CD2-CB 3.65Å; Y55-C59 HydrophobicContact CE2-CB 3.57Å; Y55-C59 HydrophobicContact CG-CB 4.22Å; Y55-C59 WeakPolarHBondContact O-CA 3.3Å; Y55-C59 WeakPolarHBondContact O-CB 3.21Å; Y55-C59 PolarHBondContact O-N 3.18Å; Y55-T60 HydrophobicContact CD1-CG2 4.23Å; Y55-T60 HydrophobicContact CE1-CG2 3.81Å; Y55-G67 WeakPolarHBondContact CE1-O 3.49Å; Y55-G67 VanDerWaalsContact OH-C 3.3Å; Y55-G67 WeakPolarHBondContact OH-CA 3.5Å; Y55-G67 PolarHBondContact OH-O 2.86Å
56	E	86.7	Confident	86.5	Confident	87 Å²	87	74 Å²	74	41%	0.407	39%	0.388	S	S	.	.	H	α-helix	trans	-62.7	-30.6	178.3	-171.2	166.9	179.7	0	0	112.1	D54 T60 K74 R77	D54-E56 VanDerWaalsContact C-N 3.33Å; D54-E56 PolarHBondContact O-N 3.1Å; E56-T60 PolarHBondContact O-OG1 3.25Å; E56-K74 IonicContact OE1-NZ 2.73Å; E56-K74 PolarHBondContact OE1-NZ 2.93Å; E56-K74 IonicContact OE2-NZ 3.99Å; E56-K74 PolarHBondContact OE2-NZ 2.68Å; E56-R77 IonicContact OE1-CZ 3.76Å; E56-R77 IonicContact OE1-NH2 3.7Å; E56-R77 PolarHBondContact OE1-NH2 3.09Å
57	A	88.3	Confident	86.6	Confident	82 Å²	82	71.1 Å²	71.1	68%	0.678	37%	0.373	S	S	*	.	H	α-helix	trans	-88.5	-26.7	179.2	0	0	0	0	0	114.3	D54 Y55	D54-A57 CarbonylContact O-C 3.44Å; D54-A57 WeakPolarHBondContact O-CA 3.21Å; D54-A57 PolarHBondContact O-N 2.87Å; Y55-A57 PolarHBondContact O-N 2.98Å
58	Q	90.1	Very high	87.1	Confident	86 Å²	86	67.6 Å²	67.6	40%	0.402	35%	0.349	S	S	.	.	H	α-helix	trans	-97.3	-35	-178.4	-61.9	-55.5	-68.5	0	0	113.6	C25 R26 C29 D54 Y55	C25-Q58 HydrophobicContact CB-CB 4.38Å; R26-Q58 HydrophobicContact CB-CG 4.27Å; C29-Q58 VanDerWaalsContact SG-C 3.55Å; C29-Q58 PolarHBondContact SG-O 2.53Å; C29-Q58 VanDerWaalsContact SG-O 3.4Å; D54-Q58 HydrophobicContact CB-CG 4.09Å; D54-Q58 WeakPolarHBondContact O-CG 3.39Å; D54-Q58 PolarHBondContact O-N 3.29Å; D54-Q58 VanDerWaalsContact OD2-CG 3.32Å; D54-Q58 WeakPolarHBondContact OD2-CG 3.45Å; Y55-Q58 PolarHBondContact O-N 2.93Å
59	C	89.7	Confident	87.3	Confident	10 Å²	10	61 Å²	61	7%	0.068	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.5	-8.4	-164.6	-54.5	0	0	0	0	115	C25 C29 Y55	C25-C59 WeakPolarHBondContact CB-SG 3.22Å; C29-C59 WeakPolarHBondContact CA-SG 3.19Å; C29-C59 HydrophobicContact CB-CB 3.59Å; C29-C59 WeakPolarHBondContact CB-SG 3.08Å; C29-C59 WeakPolarHBondContact SG-CA 3.33Å; C29-C59 WeakPolarHBondContact SG-CB 3.06Å; C29-C59 CovalentContact SG-SG 2.03Å; C29-C59 PolarHBondContact SG-SG 2.98Å; Y55-C59 HydrophobicContact CD2-CB 3.65Å; Y55-C59 HydrophobicContact CE2-CB 3.57Å; Y55-C59 HydrophobicContact CG-CB 4.22Å; Y55-C59 WeakPolarHBondContact O-CA 3.3Å; Y55-C59 WeakPolarHBondContact O-CB 3.21Å; Y55-C59 PolarHBondContact O-N 3.18Å
60	T	87.8	Confident	86.8	Confident	27 Å²	27	56.1 Å²	56.1	17%	0.166	31%	0.312	C	S	.	.			trans	-110.4	155.4	-179.9	85.5	0	0	0	0	112.3	Y55 E56 R68	Y55-T60 HydrophobicContact CD1-CG2 4.23Å; Y55-T60 HydrophobicContact CE1-CG2 3.81Å; E56-T60 PolarHBondContact O-OG1 3.25Å; T60-R68 HydrophobicContact CG2-CG 3.76Å
61	T	83.6	Confident	86.1	Confident	78 Å²	78	52.7 Å²	52.7	48%	0.479	30%	0.296	S	S	.	.	B	Isolated β-bridge	trans	-125.8	133.9	177.7	-68.6	0	0	0	0	110.4	N63 S64 R68	T61-N63 PolarHBondContact O-N 3.42Å; T61-N63 VanDerWaalsContact O-N 3.1Å; T61-S64 PolarHBondContact O-N 3.27Å; T61-S64 VanDerWaalsContact O-N 3.14Å; T61-R68 PolarHBondContact O-NH1 2.93Å
62	K	77.8	Confident	85.3	Confident	179 Å²	179	56.7 Å²	56.7	78%	0.778	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-28.3	-168.2	-67.4	-176.5	178.6	179	0	115.1	R68	K62-R68 PolarHBondContact O-NH1 3.05Å; K62-R68 VanDerWaalsContact O-NH1 3.12Å
63	N	84.7	Confident	84.4	Confident	93 Å²	93	62.5 Å²	62.5	50%	0.497	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.3	16.9	-177.6	-59	-14.7	0	0	0	112.9	T61	T61-N63 PolarHBondContact O-N 3.42Å; T61-N63 VanDerWaalsContact O-N 3.1Å
64	S	89	Confident	83.5	Confident	20 Å²	20	58 Å²	58	14%	0.14	32%	0.316	C	S	.	.	B	Isolated β-bridge	trans	-139.4	148.7	-172.9	156.1	0	0	0	0	110.9	T61 K66 R68 D94	T61-S64 PolarHBondContact O-N 3.27Å; T61-S64 VanDerWaalsContact O-N 3.14Å; S64-K66 WeakPolarHBondContact OG-CB 3.47Å; S64-K66 PolarHBondContact OG-N 2.88Å; S64-R68 WeakPolarHBondContact O-CD 3.39Å; S64-R68 PolarHBondContact O-NH1 3.28Å; S64-D94 VanDerWaalsContact CA-OD1 3.3Å; S64-D94 WeakPolarHBondContact CA-OD1 3.47Å; S64-D94 WeakPolarHBondContact CA-OD2 3.43Å; S64-D94 WeakPolarHBondContact CB-OD2 3.49Å; S64-D94 PolarHBondContact OG-OD2 3.38Å
65	C	88.9	Confident	82.6	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	35%	0.349	C	S	.	.			trans	-86.6	-0.4	176.4	-67.9	0	0	0	0	115.3	G67 R68 C81 C92 D94 H98	C65-G67 PolarHBondContact O-N 3.24Å; C65-G67 VanDerWaalsContact O-N 3.1Å; C65-R68 PolarHBondContact O-N 3.24Å; C65-C81 WeakPolarHBondContact CA-SG 3.12Å; C65-C81 HydrophobicContact CB-CB 3.75Å; C65-C81 WeakPolarHBondContact CB-SG 3.09Å; C65-C81 VanDerWaalsContact SG-CA 3.57Å; C65-C81 WeakPolarHBondContact SG-CB 3.14Å; C65-C81 CovalentContact SG-SG 2.04Å; C65-C81 PolarHBondContact SG-SG 3.01Å; C65-C92 VanDerWaalsContact SG-CB 3.56Å; C65-D94 VanDerWaalsContact N-CG 3.26Å; C65-D94 PolarHBondContact N-OD1 3.23Å; C65-D94 PolarHBondContact N-OD2 3.49Å; C65-H98 HydrophobicContact CB-CB 4.26Å
66	K	87.3	Confident	81.6	Confident	105 Å²	105	71.5 Å²	71.5	46%	0.457	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	117.4	171.6	-170.2	171.8	-178.7	175.2	0	110.2	F43 S64 R68	F43-K66 HydrophobicContact CE1-CG 4.45Å; F43-K66 HydrophobicContact CZ-CG 4.1Å; S64-K66 WeakPolarHBondContact OG-CB 3.47Å; S64-K66 PolarHBondContact OG-N 2.88Å; K66-R68 VanDerWaalsContact C-N 3.28Å; K66-R68 PolarHBondContact O-N 3.24Å
67	G	83.2	Confident	81.2	Confident	2 Å²	2	70.5 Å²	70.5	2%	0.021	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.8	13.4	-175.8	0	0	0	0	0	115.9	L46 Y55 C65	L46-G67 VanDerWaalsContact CD1-O 3.3Å; L46-G67 WeakPolarHBondContact CD1-O 3.47Å; Y55-G67 WeakPolarHBondContact CE1-O 3.49Å; Y55-G67 VanDerWaalsContact OH-C 3.3Å; Y55-G67 WeakPolarHBondContact OH-CA 3.5Å; Y55-G67 PolarHBondContact OH-O 2.86Å; C65-G67 PolarHBondContact O-N 3.24Å; C65-G67 VanDerWaalsContact O-N 3.1Å
68	R	87.1	Confident	81	Confident	1 Å²	1	77.2 Å²	77.2	0%	0.004	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.7	1.8	-174.4	-80.3	178.6	55.8	-150.8	-3	114.9	T60 T61 K62 S64 C65 K66 G70 E71 C79 C81	T60-R68 HydrophobicContact CG2-CG 3.76Å; T61-R68 PolarHBondContact O-NH1 2.93Å; K62-R68 PolarHBondContact O-NH1 3.05Å; K62-R68 VanDerWaalsContact O-NH1 3.12Å; S64-R68 WeakPolarHBondContact O-CD 3.39Å; S64-R68 PolarHBondContact O-NH1 3.28Å; C65-R68 PolarHBondContact O-N 3.24Å; K66-R68 VanDerWaalsContact C-N 3.28Å; K66-R68 PolarHBondContact O-N 3.24Å; R68-G70 PolarHBondContact O-N 2.04Å; R68-E71 VanDerWaalsContact CB-OE2 3.29Å; R68-E71 WeakPolarHBondContact CB-OE2 3.35Å; R68-E71 VanDerWaalsContact CG-OE2 3.29Å; R68-E71 WeakPolarHBondContact CG-OE2 3.3Å; R68-E71 IonicContact CZ-OE1 3.79Å; R68-E71 IonicContact CZ-OE2 2.68Å; R68-E71 IonicContact NE-OE1 2.79Å; R68-E71 PolarHBondContact NE-OE1 2.04Å; R68-E71 IonicContact NE-OE2 2.65Å; R68-E71 PolarHBondContact NE-OE2 2.98Å; R68-E71 IonicContact NH2-OE1 3.23Å; R68-E71 PolarHBondContact NH2-OE1 3.18Å; R68-E71 IonicContact NH2-OE2 2.87Å; R68-E71 VanDerWaalsContact O-CB 3.25Å; R68-E71 WeakPolarHBondContact O-CB 3.07Å; R68-E71 WeakPolarHBondContact O-CG 3.33Å; R68-E71 PolarHBondContact O-N 3.1Å; R68-C79 PolarHBondContact NH2-O 3.18Å; R68-C81 HydrophobicContact CB-CB 3.94Å; R68-C81 WeakPolarHBondContact O-CB 3.09Å
69	C	83.9	Confident	80.9	Confident	26 Å²	26	73.7 Å²	73.7	18%	0.176	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	136.5	179.1	-57.8	0	0	0	0	111.9	E71 C81 H98 C99	C69-E71 PolarHBondContact O-N 2.74Å; C69-C81 WeakPolarHBondContact CA-O 3.47Å; C69-H98 PolarHBondContact SG-O 2.92Å; C69-C99 WeakPolarHBondContact CA-SG 3.44Å; C69-C99 HydrophobicContact CB-CB 3.72Å; C69-C99 WeakPolarHBondContact CB-SG 3.37Å; C69-C99 WeakPolarHBondContact SG-CA 3.03Å; C69-C99 WeakPolarHBondContact SG-CB 3.42Å; C69-C99 CovalentContact SG-SG 2.04Å; C69-C99 PolarHBondContact SG-SG 3.13Å
70	G	71.5	Confident	80.8	Confident	49 Å²	49	73.5 Å²	73.5	51%	0.505	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	74	10.2	-178.6	0	0	0	0	0	114.6	R68 C81	R68-G70 PolarHBondContact O-N 2.04Å; G70-C81 PolarHBondContact N-O 3.44Å
71	E	76.2	Confident	80.7	Confident	15 Å²	15	72.3 Å²	72.3	7%	0.07	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-63.7	152.2	174.6	68.6	-178	-156.8	0	0	112.9	R68 C69 R77 C81	R68-E71 VanDerWaalsContact CB-OE2 3.29Å; R68-E71 WeakPolarHBondContact CB-OE2 3.35Å; R68-E71 VanDerWaalsContact CG-OE2 3.29Å; R68-E71 WeakPolarHBondContact CG-OE2 3.3Å; R68-E71 IonicContact CZ-OE1 3.79Å; R68-E71 IonicContact CZ-OE2 2.68Å; R68-E71 IonicContact NE-OE1 2.79Å; R68-E71 PolarHBondContact NE-OE1 2.04Å; R68-E71 IonicContact NE-OE2 2.65Å; R68-E71 PolarHBondContact NE-OE2 2.98Å; R68-E71 IonicContact NH2-OE1 3.23Å; R68-E71 PolarHBondContact NH2-OE1 3.18Å; R68-E71 IonicContact NH2-OE2 2.87Å; R68-E71 VanDerWaalsContact O-CB 3.25Å; R68-E71 WeakPolarHBondContact O-CB 3.07Å; R68-E71 WeakPolarHBondContact O-CG 3.33Å; R68-E71 PolarHBondContact O-N 3.1Å; C69-E71 PolarHBondContact O-N 2.74Å; E71-R77 IonicContact OE1-NH1 2.91Å; E71-R77 PolarHBondContact OE1-NH1 2.59Å; E71-R77 IonicContact OE2-CZ 3.52Å; E71-R77 IonicContact OE2-NH1 2.65Å; E71-R77 PolarHBondContact OE2-NH1 2.89Å; E71-R77 IonicContact OE2-NH2 3.51Å; E71-C81 HydrophobicContact CG-CB 4.09Å; E71-C81 PolarHBondContact OE1-N 3.16Å
72	T	70.8	Confident	80.8	Confident	113 Å²	113	69.7 Å²	69.7	69%	0.693	35%	0.352	S	S	*	.	P	Polyproline II helix	trans	-82.8	149.2	170.2	44.6	0	0	0	0	111.4	K74	T72-K74 PolarHBondContact O-N 3.02Å
73	F	72.4	Confident	81	Confident	127 Å²	127	69.3 Å²	69.3	56%	0.557	35%	0.35	S	S	*	.	P	Polyproline II helix	trans	-54.8	121.3	178.7	177.2	-90.3	0	0	0	112	R75 T80	F73-R75 HydrophobicContact CE1-CG 3.83Å; F73-T80 HydrophobicContact CD2-CG2 4Å; F73-T80 HydrophobicContact CE2-CG2 4.44Å
74	K	72.4	Confident	80.8	Confident	81 Å²	81	68.4 Å²	68.4	35%	0.352	34%	0.343	S	S	.	.			trans	-115.7	123.6	172.5	-55	-166.5	-170.2	-176.6	0	110.3	E56 T72	E56-K74 IonicContact OE1-NZ 2.73Å; E56-K74 PolarHBondContact OE1-NZ 2.93Å; E56-K74 IonicContact OE2-NZ 3.99Å; E56-K74 PolarHBondContact OE2-NZ 2.68Å; T72-K74 PolarHBondContact O-N 3.02Å
75	R	71.5	Confident	80.6	Confident	233 Å²	233	67.5 Å²	67.5	88%	0.879	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	143.5	173.2	-70.2	-177.3	178.2	172.5	-0.4	110.7	F73	F73-R75 HydrophobicContact CE1-CG 3.83Å
76	G	71.3	Confident	80.3	Confident	88 Å²	88	71.1 Å²	71.1	91%	0.907	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.4	0	176.6	0	0	0	0	0	115.9
77	R	78.7	Confident	80.2	Confident	65 Å²	65	73.1 Å²	73.1	25%	0.245	37%	0.371	C	S	.	.			trans	-85.9	152.2	168.6	-69.5	179.8	170.5	-178.2	-13.2	111.1	E56 E71	E56-R77 IonicContact OE1-CZ 3.76Å; E56-R77 IonicContact OE1-NH2 3.7Å; E56-R77 PolarHBondContact OE1-NH2 3.09Å; E71-R77 IonicContact OE1-NH1 2.91Å; E71-R77 PolarHBondContact OE1-NH1 2.59Å; E71-R77 IonicContact OE2-CZ 3.52Å; E71-R77 IonicContact OE2-NH1 2.65Å; E71-R77 PolarHBondContact OE2-NH1 2.89Å; E71-R77 IonicContact OE2-NH2 3.51Å
78	R	82.6	Confident	80.1	Confident	223 Å²	223	78.3 Å²	78.3	84%	0.842	39%	0.393	S	S	*	.	S	Bend	trans	-82.9	-19.2	178.9	-70.9	-173.1	175.1	-167.8	-1.5	114
79	C	88.9	Confident	80	Confident	13 Å²	13	87.6 Å²	87.6	9%	0.088	43%	0.433	C	S	.	.			trans	-160.8	156.9	179.3	60.2	0	0	0	0	110.2	R68 Q90 C92	R68-C79 PolarHBondContact NH2-O 3.18Å; C79-Q90 CarbonylContact C-O 3.55Å; C79-Q90 WeakPolarHBondContact CA-O 3.29Å; C79-Q90 WeakPolarHBondContact CB-O 3.35Å; C79-C92 VanDerWaalsContact C-SG 3.56Å; C79-C92 HydrophobicContact CB-CB 3.82Å; C79-C92 WeakPolarHBondContact CB-SG 3.4Å; C79-C92 WeakPolarHBondContact SG-CA 3.25Å; C79-C92 WeakPolarHBondContact SG-CB 3.27Å; C79-C92 CovalentContact SG-SG 2.04Å; C79-C92 PolarHBondContact SG-SG 2.84Å
80	T	87.1	Confident	80.2	Confident	6 Å²	6	90.6 Å²	90.6	4%	0.037	45%	0.445	C	S	.	.	B	Isolated β-bridge	trans	-118.4	169.1	-178.4	68.8	0	0	0	0	112.1	F73 D82 C85 Q90 C91 C92	F73-T80 HydrophobicContact CD2-CG2 4Å; F73-T80 HydrophobicContact CE2-CG2 4.44Å; T80-D82 WeakPolarHBondContact CB-OD2 3.32Å; T80-D82 PolarHBondContact OG1-OD2 3.35Å; T80-C85 VanDerWaalsContact OG1-CB 3.28Å; T80-C85 WeakPolarHBondContact OG1-CB 3.31Å; T80-Q90 PolarHBondContact N-O 3.32Å; T80-C91 CarbonylContact O-C 3.56Å; T80-C91 WeakPolarHBondContact O-CA 3.46Å; T80-C92 PolarHBondContact O-N 2.69Å
81	C	86.6	Confident	81.1	Confident	1 Å²	1	90.2 Å²	90.2	1%	0.007	43%	0.434	C	S	.	.			trans	-137.9	23.5	-172.1	-60.5	0	0	0	0	112.8	C65 R68 C69 G70 E71 C92 F95	C65-C81 WeakPolarHBondContact CA-SG 3.12Å; C65-C81 HydrophobicContact CB-CB 3.75Å; C65-C81 WeakPolarHBondContact CB-SG 3.09Å; C65-C81 VanDerWaalsContact SG-CA 3.57Å; C65-C81 WeakPolarHBondContact SG-CB 3.14Å; C65-C81 CovalentContact SG-SG 2.04Å; C65-C81 PolarHBondContact SG-SG 3.01Å; R68-C81 HydrophobicContact CB-CB 3.94Å; R68-C81 WeakPolarHBondContact O-CB 3.09Å; C69-C81 WeakPolarHBondContact CA-O 3.47Å; G70-C81 PolarHBondContact N-O 3.44Å; E71-C81 HydrophobicContact CG-CB 4.09Å; E71-C81 PolarHBondContact OE1-N 3.16Å; C81-C92 VanDerWaalsContact SG-SG 3.62Å; C81-F95 HydrophobicContact CB-CD2 4.5Å
82	D	84.8	Confident	81.8	Confident	24 Å²	24	89.6 Å²	89.6	13%	0.128	43%	0.431	C	S	.	.	S	Bend	trans	-83.9	161.1	168.5	63.9	100	0	0	0	111	T80 E84 C85 F95	T80-D82 WeakPolarHBondContact CB-OD2 3.32Å; T80-D82 PolarHBondContact OG1-OD2 3.35Å; D82-E84 PolarHBondContact O-N 2.83Å; D82-E84 VanDerWaalsContact OD1-C 3.23Å; D82-E84 VanDerWaalsContact OD1-CA 3.26Å; D82-E84 WeakPolarHBondContact OD1-CA 3.08Å; D82-E84 WeakPolarHBondContact OD1-CB 3.35Å; D82-E84 PolarHBondContact OD1-N 3.32Å; D82-C85 VanDerWaalsContact O-CB 3.28Å; D82-C85 WeakPolarHBondContact O-CB 3.45Å; D82-C85 PolarHBondContact O-N 3.21Å; D82-C85 PolarHBondContact O-SG 3.03Å; D82-C85 PolarHBondContact OD1-N 3.29Å; D82-F95 WeakPolarHBondContact O-CE2 3.48Å
83	F	81.7	Confident	82.7	Confident	171 Å²	171	90.3 Å²	90.3	75%	0.75	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-18.1	-179.7	66.1	-89.2	0	0	0	113.8	C85	F83-C85 VanDerWaalsContact C-N 3.34Å
84	E	80.6	Confident	83.6	Confident	74 Å²	74	85.4 Å²	85.4	35%	0.346	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-6	174.6	-55.5	-156.5	115	0	0	112.8	D82 S86 K87 F88	D82-E84 PolarHBondContact O-N 2.83Å; D82-E84 VanDerWaalsContact OD1-C 3.23Å; D82-E84 VanDerWaalsContact OD1-CA 3.26Å; D82-E84 WeakPolarHBondContact OD1-CA 3.08Å; D82-E84 WeakPolarHBondContact OD1-CB 3.35Å; D82-E84 PolarHBondContact OD1-N 3.32Å; E84-S86 PolarHBondContact O-N 2.04Å; E84-K87 WeakPolarHBondContact O-CA 3.05Å; E84-K87 WeakPolarHBondContact O-CB 3.02Å; E84-K87 PolarHBondContact O-N 2.04Å; E84-K87 IonicContact OE1-NZ 2.74Å; E84-K87 PolarHBondContact OE1-NZ 2.98Å; E84-K87 VanDerWaalsContact OE1-NZ 3.11Å; E84-F88 HydrophobicContact CB-CD2 4.09Å; E84-F88 HydrophobicContact CB-CE2 3.82Å; E84-F88 VanDerWaalsContact O-CD2 3.3Å; E84-F88 WeakPolarHBondContact O-CD2 3.29Å; E84-F88 PolarHBondContact O-N 2.81Å
85	C	85.6	Confident	84.3	Confident	0 Å²	0	82.9 Å²	82.9	0%	0	41%	0.406	C	S	.	.	H	α-helix	trans	-55.5	-31	-179.5	77.5	0	0	0	0	112.1	T80 D82 F83 F88 K89 Q90 C91	T80-C85 VanDerWaalsContact OG1-CB 3.28Å; T80-C85 WeakPolarHBondContact OG1-CB 3.31Å; D82-C85 VanDerWaalsContact O-CB 3.28Å; D82-C85 WeakPolarHBondContact O-CB 3.45Å; D82-C85 PolarHBondContact O-N 3.21Å; D82-C85 PolarHBondContact O-SG 3.03Å; D82-C85 PolarHBondContact OD1-N 3.29Å; F83-C85 VanDerWaalsContact C-N 3.34Å; C85-F88 PolarHBondContact O-N 3.12Å; C85-K89 WeakPolarHBondContact O-CA 3.05Å; C85-K89 PolarHBondContact O-N 3.01Å; C85-Q90 PolarHBondContact O-N 2.64Å; C85-C91 HydrophobicContact CB-CB 3.91Å; C85-C91 WeakPolarHBondContact CB-SG 3.14Å; C85-C91 PolarHBondContact O-SG 2.9Å; C85-C91 WeakPolarHBondContact SG-CA 3Å; C85-C91 WeakPolarHBondContact SG-CB 3.2Å; C85-C91 CovalentContact SG-SG 2.04Å; C85-C91 PolarHBondContact SG-SG 3.43Å
86	S	83.3	Confident	85	Confident	77 Å²	77	78.5 Å²	78.5	54%	0.538	39%	0.394	S	S	.	.	H	α-helix	trans	-66.8	-37.5	176.6	-59.9	0	0	0	0	112.6	E84 C91	E84-S86 PolarHBondContact O-N 2.04Å; S86-C91 PolarHBondContact N-SG 2.82Å
87	K	83.4	Confident	85.6	Confident	147 Å²	147	80.3 Å²	80.3	64%	0.639	38%	0.383	S	S	*	.	H	α-helix	trans	-67.9	-36.5	177.5	-172.9	-179.4	177.7	-179.1	0	111.2	E84	E84-K87 WeakPolarHBondContact O-CA 3.05Å; E84-K87 WeakPolarHBondContact O-CB 3.02Å; E84-K87 PolarHBondContact O-N 2.04Å; E84-K87 IonicContact OE1-NZ 2.74Å; E84-K87 PolarHBondContact OE1-NZ 2.98Å; E84-K87 VanDerWaalsContact OE1-NZ 3.11Å
88	F	82.4	Confident	85.7	Confident	110 Å²	110	81 Å²	81	48%	0.482	39%	0.388	S	S	.	.	H	α-helix	trans	-97.9	-0.1	-178.7	-58.2	-65.8	0	0	0	114.6	E84 C85 Q90	E84-F88 HydrophobicContact CB-CD2 4.09Å; E84-F88 HydrophobicContact CB-CE2 3.82Å; E84-F88 VanDerWaalsContact O-CD2 3.3Å; E84-F88 WeakPolarHBondContact O-CD2 3.29Å; E84-F88 PolarHBondContact O-N 2.81Å; C85-F88 PolarHBondContact O-N 3.12Å; F88-Q90 VanDerWaalsContact C-N 3.25Å; F88-Q90 HydrophobicContact CB-CG 4.46Å; F88-Q90 PolarHBondContact O-N 2.7Å
89	K	84.2	Confident	85.6	Confident	196 Å²	196	71.9 Å²	71.9	85%	0.852	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.3	37.5	-174.9	-58.3	-177.1	-179.7	179.4	0	113.7	C85	C85-K89 WeakPolarHBondContact O-CA 3.05Å; C85-K89 PolarHBondContact O-N 3.01Å
90	Q	88.9	Confident	84.8	Confident	90 Å²	90	74.4 Å²	74.4	42%	0.421	37%	0.371	S	S	.	.			trans	-113.7	5.4	-176.4	-76.8	172.7	47.6	0	0	114.1	C79 T80 C85 F88	C79-Q90 CarbonylContact C-O 3.55Å; C79-Q90 WeakPolarHBondContact CA-O 3.29Å; C79-Q90 WeakPolarHBondContact CB-O 3.35Å; T80-Q90 PolarHBondContact N-O 3.32Å; C85-Q90 PolarHBondContact O-N 2.64Å; F88-Q90 VanDerWaalsContact C-N 3.25Å; F88-Q90 HydrophobicContact CB-CG 4.46Å; F88-Q90 PolarHBondContact O-N 2.7Å
91	C	89.8	Confident	83.6	Confident	40 Å²	40	79.3 Å²	79.3	27%	0.27	40%	0.401	S	S	.	.	B	Isolated β-bridge	trans	-55.3	146.6	177.5	-57.3	0	0	0	0	113.3	T80 C85 S86 F95	T80-C91 CarbonylContact O-C 3.56Å; T80-C91 WeakPolarHBondContact O-CA 3.46Å; C85-C91 HydrophobicContact CB-CB 3.91Å; C85-C91 WeakPolarHBondContact CB-SG 3.14Å; C85-C91 PolarHBondContact O-SG 2.9Å; C85-C91 WeakPolarHBondContact SG-CA 3Å; C85-C91 WeakPolarHBondContact SG-CB 3.2Å; C85-C91 CovalentContact SG-SG 2.04Å; C85-C91 PolarHBondContact SG-SG 3.43Å; S86-C91 PolarHBondContact N-SG 2.82Å; C91-F95 HydrophobicContact CB-CB 3.89Å; C91-F95 HydrophobicContact CB-CD1 4.36Å; C91-F95 HydrophobicContact CB-CG 4.15Å
92	C	91.2	Very high	81.9	Confident	3 Å²	3	84.1 Å²	84.1	2%	0.02	43%	0.426	C	S	.	.			trans	-68.7	153.8	164	-57.1	0	0	0	0	110.6	C65 C79 T80 C81 D94 F95	C65-C92 VanDerWaalsContact SG-CB 3.56Å; C79-C92 VanDerWaalsContact C-SG 3.56Å; C79-C92 HydrophobicContact CB-CB 3.82Å; C79-C92 WeakPolarHBondContact CB-SG 3.4Å; C79-C92 WeakPolarHBondContact SG-CA 3.25Å; C79-C92 WeakPolarHBondContact SG-CB 3.27Å; C79-C92 CovalentContact SG-SG 2.04Å; C79-C92 PolarHBondContact SG-SG 2.84Å; T80-C92 PolarHBondContact O-N 2.69Å; C81-C92 VanDerWaalsContact SG-SG 3.62Å; C92-D94 WeakPolarHBondContact CB-OD1 3.1Å; C92-D94 PolarHBondContact O-N 3.07Å; C92-F95 VanDerWaalsContact O-CB 3.31Å; C92-F95 WeakPolarHBondContact O-CB 3.3Å; C92-F95 PolarHBondContact O-N 2.63Å
93	P	90.5	Very high	80	Confident	127 Å²	127	88.6 Å²	88.6	83%	0.825	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-18.3	-172.7	-24.9	35.3	0	0	0	115.2
94	D	90.1	Very high	77.9	Confident	25 Å²	25	87.3 Å²	87.3	13%	0.134	45%	0.454	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.2	7	-177.5	65.8	-23.8	0	0	0	113.3	S64 C65 C92 K96 N97 H98	S64-D94 VanDerWaalsContact CA-OD1 3.3Å; S64-D94 WeakPolarHBondContact CA-OD1 3.47Å; S64-D94 WeakPolarHBondContact CA-OD2 3.43Å; S64-D94 WeakPolarHBondContact CB-OD2 3.49Å; S64-D94 PolarHBondContact OG-OD2 3.38Å; C65-D94 VanDerWaalsContact N-CG 3.26Å; C65-D94 PolarHBondContact N-OD1 3.23Å; C65-D94 PolarHBondContact N-OD2 3.49Å; C92-D94 WeakPolarHBondContact CB-OD1 3.1Å; C92-D94 PolarHBondContact O-N 3.07Å; D94-K96 PolarHBondContact O-N 2.84Å; D94-N97 WeakPolarHBondContact O-CA 3.13Å; D94-N97 WeakPolarHBondContact O-CB 3.45Å; D94-N97 PolarHBondContact O-N 3.03Å; D94-H98 PolarHBondContact O-N 2.74Å; D94-H98 IonicContact OD2-CD2 3.29Å; D94-H98 PolarHBondContact OD2-CD2 2.81Å; D94-H98 VanDerWaalsContact OD2-CD2 3.29Å; D94-H98 IonicContact OD2-NE2 3.86Å
95	F	88.1	Confident	75.8	Confident	27 Å²	27	90.4 Å²	90.4	12%	0.118	48%	0.478	C	S	.	.	H	α-helix	trans	-50.3	-45.9	178.1	173.3	-102.8	0	0	0	112.1	C81 D82 C91 C92 N97 H98 C99	C81-F95 HydrophobicContact CB-CD2 4.5Å; D82-F95 WeakPolarHBondContact O-CE2 3.48Å; C91-F95 HydrophobicContact CB-CB 3.89Å; C91-F95 HydrophobicContact CB-CD1 4.36Å; C91-F95 HydrophobicContact CB-CG 4.15Å; C92-F95 VanDerWaalsContact O-CB 3.31Å; C92-F95 WeakPolarHBondContact O-CB 3.3Å; C92-F95 PolarHBondContact O-N 2.63Å; F95-N97 PolarHBondContact O-N 3.11Å; F95-H98 PolarHBondContact O-N 3.02Å; F95-C99 HydrophobicContact CD2-CB 3.73Å; F95-C99 HydrophobicContact CE2-CB 3.51Å; F95-C99 HydrophobicContact CZ-CB 4.12Å; F95-C99 WeakPolarHBondContact O-CB 3.27Å; F95-C99 PolarHBondContact O-N 3.48Å
96	K	85.4	Confident	73.5	Confident	142 Å²	142	95 Å²	95	62%	0.617	52%	0.515	S	S	*	.	H	α-helix	trans	-65.6	-20.1	177.8	-171.2	162.6	-176.7	73.4	0	114.1	D94 D100	D94-K96 PolarHBondContact O-N 2.84Å; K96-D100 HydrophobicContact CB-CB 4.41Å; K96-D100 HydrophobicContact CG-CB 4.09Å; K96-D100 WeakPolarHBondContact CG-OD2 3.42Å; K96-D100 IonicContact NZ-OD2 2.59Å; K96-D100 PolarHBondContact NZ-OD2 3.29Å
97	N	82.9	Confident	71.1	Confident	126 Å²	126	100.5 Å²	100.5	67%	0.674	53%	0.533	S	S	*	.	H	α-helix	trans	-96.4	-8	-178.6	-59.2	-17.4	0	0	0	113.1	D94 F95	D94-N97 WeakPolarHBondContact O-CA 3.13Å; D94-N97 WeakPolarHBondContact O-CB 3.45Å; D94-N97 PolarHBondContact O-N 3.03Å; F95-N97 PolarHBondContact O-N 3.11Å
98	H	81.6	Confident	68.8	Low	79 Å²	79	103.3 Å²	103.3	37%	0.366	55%	0.545	S	S	.	.	H	α-helix	trans	-129.5	-26.9	-176.5	-73.7	-41.6	0	0	0	114.8	C65 C69 D94 F95	C65-H98 HydrophobicContact CB-CB 4.26Å; C69-H98 PolarHBondContact SG-O 2.92Å; D94-H98 PolarHBondContact O-N 2.74Å; D94-H98 IonicContact OD2-CD2 3.29Å; D94-H98 PolarHBondContact OD2-CD2 2.81Å; D94-H98 VanDerWaalsContact OD2-CD2 3.29Å; D94-H98 IonicContact OD2-NE2 3.86Å; F95-H98 PolarHBondContact O-N 3.02Å
99	C	80.3	Confident	66.5	Low	32 Å²	32	104.1 Å²	104.1	22%	0.216	56%	0.564	C	S	.	*	T	Hydrogen-bonded Turn	trans	-118.2	-24.7	-175.1	-48.3	0	0	0	0	113.9	C69 F95 V101	C69-C99 WeakPolarHBondContact CA-SG 3.44Å; C69-C99 HydrophobicContact CB-CB 3.72Å; C69-C99 WeakPolarHBondContact CB-SG 3.37Å; C69-C99 WeakPolarHBondContact SG-CA 3.03Å; C69-C99 WeakPolarHBondContact SG-CB 3.42Å; C69-C99 CovalentContact SG-SG 2.04Å; C69-C99 PolarHBondContact SG-SG 3.13Å; F95-C99 HydrophobicContact CD2-CB 3.73Å; F95-C99 HydrophobicContact CE2-CB 3.51Å; F95-C99 HydrophobicContact CZ-CB 4.12Å; F95-C99 WeakPolarHBondContact O-CB 3.27Å; F95-C99 PolarHBondContact O-N 3.48Å; C99-V101 VanDerWaalsContact C-N 3.29Å; C99-V101 PolarHBondContact O-N 3.25Å; C99-V101 VanDerWaalsContact O-N 3.16Å
100	D	72.7	Confident	64	Low	66 Å²	66	98.7 Å²	98.7	35%	0.353	56%	0.564	S	S	.	*			trans	-89.8	61	-179.3	-165.1	29.6	0	0	0	111	K96 D102	K96-D100 HydrophobicContact CB-CB 4.41Å; K96-D100 HydrophobicContact CG-CB 4.09Å; K96-D100 WeakPolarHBondContact CG-OD2 3.42Å; K96-D100 IonicContact NZ-OD2 2.59Å; K96-D100 PolarHBondContact NZ-OD2 3.29Å; D100-D102 PolarHBondContact O-N 3.36Å
101	V	61.1	Low	61.5	Low	109 Å²	109	98 Å²	98	66%	0.661	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.7	57.3	-168	-162.8	0	0	0	0	112.3	C99	C99-V101 VanDerWaalsContact C-N 3.29Å; C99-V101 PolarHBondContact O-N 3.25Å; C99-V101 VanDerWaalsContact O-N 3.16Å
102	D	50.8	Low	59.2	Low	102 Å²	102	100.9 Å²	100.9	55%	0.545	61%	0.608	S	S	.	*	T	Hydrogen-bonded Turn	trans	-106.9	-4.4	171.1	-99.6	-18.9	0	0	0	113.1	D100 P115	D100-D102 PolarHBondContact O-N 3.36Å; D102-P115 WeakPolarHBondContact OD1-CB 3.38Å
103	V	44.8	Very low	56.4	Low	118 Å²	118	108 Å²	108	72%	0.715	65%	0.652	S	S	*	*	S	Bend	trans	-139.7	142.8	177	-162.5	0	0	0	0	110.6
104	I	39.1	Very low	54.2	Low	144 Å²	144	105.2 Å²	105.2	74%	0.738	65%	0.646	S	S	*	*	S	Bend	trans	65.7	76.7	-178.5	-36	176.4	0	0	0	112.6
105	T	35.5	Very low	51.9	Low	139 Å²	139	108.3 Å²	108.3	85%	0.853	67%	0.667	S	S	*	*				-155.5	72.1	84.3	43.9	0	0	0	0	113.8
106	A	37.1	Very low	49.5	Very low	95 Å²	95	115.6 Å²	115.6	79%	0.785	70%	0.704	S	S	*	*			trans	-128	129.6	142.1	0	0	0	0	0	105.7
107	E	33.7	Very low	46.7	Very low	193 Å²	193	116 Å²	116	90%	0.902	72%	0.718	S	S	*	*	S	Bend	cis	-117.3	160.5	29.3	-53.5	-177.4	124.3	0	0	116
108	K	34.4	Very low	44.3	Very low	206 Å²	206	113.3 Å²	113.3	90%	0.896	72%	0.721	S	S	*	*	S	Bend	trans	110.7	30	147.6	-139.7	168.3	-170.5	170.2	0	120.7
109	S	33.7	Very low	41.9	Very low	127 Å²	127	115.2 Å²	115.2	89%	0.888	74%	0.743	S	S	*	*	S	Bend		-149.1	143.8	128.9	-162	0	0	0	0	109.2
110	G	33	Very low	39.4	Very low	82 Å²	82	119 Å²	119	85%	0.845	77%	0.77	S	S	*	*			trans	-76.2	143.5	-160.3	0	0	0	0	0	115.7
111	G	35.7	Very low	37.2	Very low	76 Å²	76	120.2 Å²	120.2	78%	0.784	78%	0.783	S	S	*	*			trans	173.5	50.9	178.8	0	0	0	0	0	117.4
112	A	40.8	Very low	35.8	Very low	101 Å²	101	121.4 Å²	121.4	84%	0.835	79%	0.785	S	S	*	*			trans	29.2	97.5	161.3	0	0	0	0	0	120.9
113	T	32.9	Very low	34.8	Very low	152 Å²	152	123.5 Å²	123.5	93%	0.933	80%	0.796	S	S	*	*			trans	-157.7	170.2	142.6	30.3	0	0	0	0	109.6
114	G	44	Very low	34	Very low	69 Å²	69	124.8 Å²	124.8	71%	0.711	80%	0.804	S	S	*	*			trans	-141.8	136	166	0	0	0	0	0	110.6
115	P	41.9	Very low	33.6	Very low	89 Å²	89	126 Å²	126	58%	0.578	81%	0.806	S	S	*	*			trans	-103.6	-177.2	176.3	37.8	-31.5	0	0	0	113.3	D102	D102-P115 WeakPolarHBondContact OD1-CB 3.38Å
116	M	38.5	Very low	33.2	Very low	181 Å²	181	126.7 Å²	126.7	89%	0.892	81%	0.805	S	S	*	*			trans	-101.5	177.2	-169.3	-57.3	-166.7	-175.5	0	0	113.9
117	T	27.1	Very low	32.8	Very low	149 Å²	149	129.5 Å²	129.5	91%	0.914	81%	0.807	S	S	*	*			trans	-126.8	148.5	162.2	53.3	0	0	0	0	110.6
118	G	32.2	Very low	33.3	Very low	71 Å²	71	125 Å²	125	73%	0.732	79%	0.794	S	S	*	*			trans	-149.2	167.4	178.9	0	0	0	0	0	113.3
119	S	30.9	Very low	33	Very low	119 Å²	119	123.8 Å²	123.8	83%	0.832	79%	0.789	S	S	*	*			trans	-162.3	137.2	177.8	-70.7	0	0	0	0	107.5
120	S	27.5	Very low	32.7	Very low	111 Å²	111	123.8 Å²	123.8	78%	0.776	78%	0.779	S	S	*	*			cis	69.3	121.9	13.5	-145.3	0	0	0	0	115.6
121	C	27.1	Very low	32.5	Very low	92 Å²	92	124.4 Å²	124.4	62%	0.622	77%	0.77	S	S	*	*			cis	-164.7	168.9	-11.3	47.2	0	0	0	0	112.2
122	D	31.8	Very low	32.1	Very low	133 Å²	133	127 Å²	127	71%	0.711	77%	0.771	S	S	*	*			trans	83.3	131.3	145.7	-62.9	-31.8	0	0	0	126
123	N	29.2	Very low	31.5	Very low	146 Å²	146	126.9 Å²	126.9	78%	0.781	77%	0.77	S	S	*	*			trans	68.9	123.9	142.9	-66.3	-36.7	0	0	0	123.7
124	V	27.3	Very low	31.3	Very low	145 Å²	145	124 Å²	124	88%	0.879	76%	0.762	S	S	*	*				-175.7	170.5	101	153.4	0	0	0	0	110.9
125	H	31	Very low	30.6	Very low	169 Å²	169	130 Å²	130	78%	0.782	77%	0.769	S	S	*	*			trans	-83.1	166.3	-161.5	-100.7	46.3	0	0	0	119.6
126	N	26.5	Very low	30	Very low	155 Å²	155	132.7 Å²	132.7	83%	0.829	78%	0.778	S	S	*	*			trans	105.2	152.9	143.7	-73.6	-20.9	0	0	0	122.6
127	N	28.6	Very low	30	Very low	153 Å²	153	130.1 Å²	130.1	82%	0.818	78%	0.775	S	S	*	*			trans	-114.1	-165.8	-161.7	-142.7	15.8	0	0	0	109.5
128	P	46	Very low	30.2	Very low	99 Å²	99	131.9 Å²	131.9	64%	0.643	77%	0.773	S	S	*	*			cis	-139.6	-161.8	4.3	44.7	-23.9	0	0	0	116.6
129	K	27.4	Very low	30	Very low	180 Å²	180	136.5 Å²	136.5	78%	0.783	78%	0.78	S	S	*	*			trans	96.8	139.2	176.3	-60.5	-170.2	172.7	-172.9	0	114.1
130	D	27.3	Very low	29.9	Very low	127 Å²	127	136.1 Å²	136.1	68%	0.679	78%	0.777	S	S	*	*			cis	-163.2	160.6	-7.5	-115.6	-50.5	0	0	0	106.8
131	S	29.5	Very low	30	Very low	95 Å²	95	139.4 Å²	139.4	66%	0.664	78%	0.78	S	S	*	*			cis	-158.8	-148.7	-1	-145.8	0	0	0	0	112
132	T	27.1	Very low	30	Very low	130 Å²	130	138.8 Å²	138.8	80%	0.798	79%	0.79	S	S	*	*			trans	-39.9	155.9	171.2	57.2	0	0	0	0	117.4
133	A	28	Very low	29.9	Very low	99 Å²	99	138.8 Å²	138.8	82%	0.818	79%	0.79	S	S	*	*			cis	-157.4	176.2	36	0	0	0	0	0	115
134	A	28.7	Very low	30	Very low	93 Å²	93	140.1 Å²	140.1	77%	0.769	80%	0.797	S	S	*	*			trans	-89	-176.2	173.4	0	0	0	0	0	111.8
135	K	29.3	Very low	30.2	Very low	195 Å²	195	137.5 Å²	137.5	85%	0.848	79%	0.79	S	S	*	*			cis	-169.9	150.6	22.9	-155.2	-172	-176.9	-177.3	0	110.5
136	D	30	Very low	30.3	Very low	145 Å²	145	137.6 Å²	137.6	78%	0.775	80%	0.797	S	S	*	*			trans	-75	163	160.3	-55.6	-69.6	0	0	0	111.2
137	P	37.8	Very low	30.5	Very low	126 Å²	126	136.5 Å²	136.5	82%	0.818	79%	0.791	S	S	*	*				-147.1	160.7	89.9	39.4	-23.7	0	0	0	116.1
138	E	30.7	Very low	30.8	Very low	187 Å²	187	134.8 Å²	134.8	87%	0.874	79%	0.791	S	S	*	*			trans	-74.7	150.5	158.7	-63.3	176.4	97.7	0	0	111.6
139	L	27.7	Very low	30.1	Very low	168 Å²	168	136.9 Å²	136.9	88%	0.88	80%	0.796	S	S	*	*			trans	-179.1	123.2	139.8	-108.3	163.4	0	0	0	112.2
140	S	28.6	Very low	30.2	Very low	111 Å²	111	138.3 Å²	138.3	78%	0.776	80%	0.802	S	S	*	*				163	127.7	113.4	61.6	0	0	0	0	112
141	E	30	Very low	30.1	Very low	179 Å²	179	138 Å²	138	84%	0.836	81%	0.805	S	S	*	*			trans	-79.1	160.9	165.2	-64.7	173.5	102.5	0	0	111.5
142	G	28.2	Very low	30.9	Very low	80 Å²	80	139.2 Å²	139.2	83%	0.825	81%	0.811	S	S	*	*			trans	-146.1	80.7	174.6	0	0	0	0	0	111.6
143	N	30.1	Very low	30.9	Very low	133 Å²	133	141 Å²	141	71%	0.711	82%	0.815	S	S	*	*			trans	-75.9	145.2	175.9	-71.9	-51.3	0	0	0	111.9
144	N	30.5	Very low	30.8	Very low	173 Å²	173	140.6 Å²	140.6	93%	0.925	81%	0.807	S	S	*	*			trans	-158.8	149	133.3	-95	-42.8	0	0	0	109.3
145	A	31.4	Very low	31.5	Very low	90 Å²	90	144.1 Å²	144.1	74%	0.744	81%	0.812	S	S	*	*			trans	-100.7	169.1	-176.1	0	0	0	0	0	111.6
146	D	33.9	Very low	31.5	Very low	171 Å²	171	140.6 Å²	140.6	91%	0.914	81%	0.807	S	S	*	*				-156.4	165.1	121.7	-108.7	-22.2	0	0	0	112.2
147	D	29.4	Very low	31.7	Very low	133 Å²	133	139.7 Å²	139.7	71%	0.711	81%	0.809	S	S	*	*			trans	-67.8	147.6	-160.4	-128.9	-37.1	0	0	0	117
148	S	34.5	Very low	31.5	Very low	116 Å²	116	144.4 Å²	144.4	81%	0.811	81%	0.812	S	S	*	*				178.2	126.9	126.9	-79.7	0	0	0	0	112.4
149	L	31.8	Very low	31.5	Very low	143 Å²	143	140.4 Å²	140.4	75%	0.749	80%	0.802	S	S	*	*			trans	-78.5	151.2	174.4	-62.8	93.6	0	0	0	112.7
150	F	28.6	Very low	31.9	Very low	210 Å²	210	137.6 Å²	137.6	92%	0.921	79%	0.794	S	S	*	*				-157.5	161.2	119.8	-106.2	-68.2	0	0	0	111.9
151	T	27.2	Very low	32	Very low	120 Å²	120	140.6 Å²	140.6	74%	0.736	80%	0.798	S	S	*	*			trans	-91.5	164.3	-167.5	41.3	0	0	0	0	113.7
152	P	45.3	Very low	31.9	Very low	122 Å²	122	139.3 Å²	139.3	79%	0.792	80%	0.797	S	S	*	*			trans	-87.3	150.1	-163.5	34.8	-36.1	0	0	0	114.1
153	D	26.8	Very low	32.5	Very low	166 Å²	166	140.9 Å²	140.9	89%	0.888	79%	0.786	S	S	*	*			trans	-162.3	175.3	138	-137.2	-31.8	0	0	0	113.2
154	S	27.1	Very low	32.5	Very low	91 Å²	91	141.8 Å²	141.8	64%	0.636	79%	0.791	S	S	*	*			trans	70.9	115.2	166.3	-160.4	0	0	0	0	119.6
155	L	43.6	Very low	33	Very low	167 Å²	167	141.7 Å²	141.7	87%	0.874	79%	0.79	S	S	*	*			trans	-41.2	138.8	149.8	-62	159.2	0	0	0	112.3
156	T	28.9	Very low	33.3	Very low	122 Å²	122	140 Å²	140	75%	0.748	78%	0.781	S	S	*	*			trans	-136.9	140.2	159.8	44.8	0	0	0	0	110.2
157	P	33.5	Very low	33.6	Very low	126 Å²	126	139.1 Å²	139.1	82%	0.818	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-69.5	140.1	172.9	-17.8	31.9	0	0	0	111.5
158	Y	33	Very low	34.4	Very low	224 Å²	224	135 Å²	135	88%	0.878	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-58.1	140.9	174.9	-70.1	-80.9	0	0	0	111.9
159	P	30.6	Very low	35.1	Very low	103 Å²	103	132.7 Å²	132.7	67%	0.669	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-67.9	164.6	-177.5	29.4	-36.1	0	0	0	112.1	M161	P159-M161 PolarHBondContact O-N 3.03Å
160	P	36	Very low	36	Very low	109 Å²	109	127.3 Å²	127.3	71%	0.708	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-55	137.5	164	-18.1	31.5	0	0	0	109.7	D162	P160-D162 PolarHBondContact O-N 3.44Å; P160-D162 VanDerWaalsContact O-N 3.14Å
161	M	31.2	Very low	36.9	Very low	175 Å²	175	118.8 Å²	118.8	86%	0.862	67%	0.672	S	S	*	*			trans	-72.8	106.9	166.8	-68.6	-175.8	-63.2	0	0	108	P159 L163	P159-M161 PolarHBondContact O-N 3.03Å; M161-L163 PolarHBondContact O-N 2.96Å
162	D	27.7	Very low	38	Very low	151 Å²	151	119.9 Å²	119.9	81%	0.807	67%	0.668	S	S	*	*			trans	-58.8	129.2	166.1	-69.7	-53.4	0	0	0	108.9	P160 D164	P160-D162 PolarHBondContact O-N 3.44Å; P160-D162 VanDerWaalsContact O-N 3.14Å; D162-D164 VanDerWaalsContact C-N 3.33Å; D162-D164 PolarHBondContact O-N 3.37Å; D162-D164 VanDerWaalsContact O-N 3.13Å
163	L	40.6	Very low	38.2	Very low	113 Å²	113	115 Å²	115	59%	0.592	64%	0.635	S	S	*	*			trans	-84.1	86.5	175	-67.5	177.8	0	0	0	107.6	M161	M161-L163 PolarHBondContact O-N 2.96Å
164	D	31.9	Very low	39.5	Very low	153 Å²	153	107.8 Å²	107.8	82%	0.818	60%	0.596	S	S	*	*			trans	-55.5	141.8	166.2	-164.9	24.6	0	0	0	109.8	D162 G166	D162-D164 VanDerWaalsContact C-N 3.33Å; D162-D164 PolarHBondContact O-N 3.37Å; D162-D164 VanDerWaalsContact O-N 3.13Å; D164-G166 PolarHBondContact O-N 2.82Å
165	D	40.3	Very low	40.2	Very low	170 Å²	170	107.3 Å²	107.3	91%	0.909	59%	0.591	S	S	*	*			trans	-77.2	56.4	-174.4	-84.8	-56.8	0	0	0	111.5
166	G	36.5	Very low	40	Very low	55 Å²	55	102.7 Å²	102.7	57%	0.567	57%	0.567	S	S	*	*			trans	-77.7	141	-179.3	0	0	0	0	0	113.3	D164 D168	D164-G166 PolarHBondContact O-N 2.82Å; G166-D168 PolarHBondContact O-N 3.32Å
167	D	40.8	Very low	40.7	Very low	152 Å²	152	103 Å²	103	81%	0.813	56%	0.564	S	S	*	*			trans	-46.8	135.5	-177.5	-59.7	-80.4	0	0	0	113.5	I169	D167-I169 WeakPolarHBondContact O-CG1 3.05Å; D167-I169 PolarHBondContact O-N 2.98Å
168	D	47.4	Very low	40.6	Very low	47 Å²	47	101.5 Å²	101.5	25%	0.251	55%	0.549	S	S	.	.			trans	-70.6	92.8	-179.8	-166	-41.4	0	0	0	110.5	G166 F170 A171 R626	G166-D168 PolarHBondContact O-N 3.32Å; D168-F170 PolarHBondContact O-N 2.93Å; D168-F170 PolarHBondContact OD1-N 3.16Å; D168-F170 VanDerWaalsContact OD1-N 3.12Å; D168-A171 HydrophobicContact CB-CB 4.47Å; D168-A171 VanDerWaalsContact O-CB 3.29Å; D168-A171 WeakPolarHBondContact O-CB 3.41Å; D168-A171 PolarHBondContact O-N 3.36Å; D168-R626 WeakPolarHBondContact OD2-CD 3.11Å; D168-R626 WeakPolarHBondContact OD2-CG 3.16Å; D168-R626 IonicContact OD2-CZ 2.93Å; D168-R626 IonicContact OD2-NE 3.22Å; D168-R626 PolarHBondContact OD2-NE 3.01Å; D168-R626 IonicContact OD2-NH2 3.24Å
169	I	48	Very low	41	Very low	67 Å²	67	98.6 Å²	98.6	34%	0.344	55%	0.548	S	S	.	.	T	Hydrogen-bonded Turn	trans	-44.7	-26.6	178.2	-59.7	169.8	0	0	0	112.7	D167 R470	D167-I169 WeakPolarHBondContact O-CG1 3.05Å; D167-I169 PolarHBondContact O-N 2.98Å; I169-R470 HydrophobicContact CD1-CG 4.03Å; I169-R470 HydrophobicContact CG2-CB 3.83Å; I169-R470 HydrophobicContact CG2-CG 4.42Å; I169-R470 WeakPolarHBondContact CG2-O 3.48Å
170	F	50.8	Low	40.9	Very low	30 Å²	30	97.9 Å²	97.9	13%	0.132	55%	0.545	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.6	5	-174.5	-71.1	-81.7	0	0	0	114.6	D168 E172 I173 F174 M457 L472 V622	D168-F170 PolarHBondContact O-N 2.93Å; D168-F170 PolarHBondContact OD1-N 3.16Å; D168-F170 VanDerWaalsContact OD1-N 3.12Å; F170-E172 PolarHBondContact O-N 3.42Å; F170-I173 HydrophobicContact CD1-CD1 3.77Å; F170-I173 HydrophobicContact CE1-CD1 4.21Å; F170-I173 PolarHBondContact O-N 3.04Å; F170-F174 HydrophobicContact CB-CD2 4.06Å; F170-F174 HydrophobicContact CB-CE2 4.38Å; F170-F174 HydrophobicContact CD1-CD2 4.41Å; F170-F174 AromaticContact CD1-CE2 3.99Å; F170-F174 HydrophobicContact CD1-CE2 3.99Å; F170-F174 PolarHBondContact O-N 2.95Å; F170-M457 HydrophobicContact CE1-SD 3.75Å; F170-M457 HydrophobicContact CZ-SD 3.71Å; F170-L472 HydrophobicContact CE1-CD2 4.12Å; F170-V622 HydrophobicContact CD1-CG1 3.98Å; F170-V622 HydrophobicContact CD2-CG1 4.18Å; F170-V622 HydrophobicContact CE1-CG1 3.71Å; F170-V622 HydrophobicContact CE2-CG1 3.94Å; F170-V622 HydrophobicContact CG-CG1 4.21Å; F170-V622 HydrophobicContact CZ-CG1 3.7Å
171	A	48.3	Very low	41.1	Very low	32 Å²	32	98.8 Å²	98.8	26%	0.264	55%	0.549	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-39.9	179.6	0	0	0	0	0	113.7	D168 F174	D168-A171 HydrophobicContact CB-CB 4.47Å; D168-A171 VanDerWaalsContact O-CB 3.29Å; D168-A171 WeakPolarHBondContact O-CB 3.41Å; D168-A171 PolarHBondContact O-N 3.36Å; A171-F174 CarbonylContact O-C 3.28Å; A171-F174 VanDerWaalsContact O-C 3.28Å
172	E	49.1	Very low	41.3	Very low	142 Å²	142	97.3 Å²	97.3	66%	0.664	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-23.7	178.3	-64.8	-163.2	144	0	0	113.7	F170 R669	F170-E172 PolarHBondContact O-N 3.42Å; E172-R669 VanDerWaalsContact CB-NH2 3.32Å; E172-R669 IonicContact OE2-CZ 2.72Å; E172-R669 IonicContact OE2-NH1 3.11Å; E172-R669 PolarHBondContact OE2-NH1 2.82Å; E172-R669 IonicContact OE2-NH2 3.44Å; E172-R669 PolarHBondContact OE2-NH2 3.49Å
173	I	50.8	Low	41.4	Very low	19 Å²	19	93.7 Å²	93.7	10%	0.097	54%	0.544	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-27.5	-179.2	-63.8	137.5	0	0	0	110.4	F170 L472 F667	F170-I173 HydrophobicContact CD1-CD1 3.77Å; F170-I173 HydrophobicContact CE1-CD1 4.21Å; F170-I173 PolarHBondContact O-N 3.04Å; I173-L472 HydrophobicContact CD1-CD1 3.53Å; I173-L472 HydrophobicContact CD1-CG 3.73Å; I173-L472 HydrophobicContact CG1-CD1 3.76Å; I173-L472 HydrophobicContact CG1-CG 4.42Å; I173-L472 HydrophobicContact CG2-CD1 4.17Å; I173-F667 HydrophobicContact CG2-CE2 4.31Å
174	F	52.7	Low	41	Very low	16 Å²	16	96.2 Å²	96.2	7%	0.07	56%	0.557	C	S	.	*	S	Bend	trans	-134.8	82.9	176.2	-53.3	-88.1	0	0	0	109.8	F170 A171 K632 V634 N643	F170-F174 HydrophobicContact CB-CD2 4.06Å; F170-F174 HydrophobicContact CB-CE2 4.38Å; F170-F174 HydrophobicContact CD1-CD2 4.41Å; F170-F174 AromaticContact CD1-CE2 3.99Å; F170-F174 HydrophobicContact CD1-CE2 3.99Å; F170-F174 PolarHBondContact O-N 2.95Å; A171-F174 CarbonylContact O-C 3.28Å; A171-F174 VanDerWaalsContact O-C 3.28Å; F174-K632 HydrophobicContact CB-CD 3.87Å; F174-K632 HydrophobicContact CD1-CD 3.98Å; F174-K632 HydrophobicContact CD2-CD 3.66Å; F174-K632 HydrophobicContact CE1-CB 4.13Å; F174-K632 HydrophobicContact CE1-CD 4.36Å; F174-K632 HydrophobicContact CE2-CB 4.35Å; F174-K632 HydrophobicContact CE2-CD 4.06Å; F174-K632 HydrophobicContact CG-CD 3.6Å; F174-K632 HydrophobicContact CZ-CB 4.02Å; F174-K632 HydrophobicContact CZ-CD 4.39Å; F174-V634 HydrophobicContact CE1-CG2 3.6Å; F174-V634 HydrophobicContact CZ-CG2 3.57Å; F174-N643 WeakPolarHBondContact CE1-OD1 3.11Å
175	P	43.2	Very low	41	Very low	80 Å²	80	95.7 Å²	95.7	52%	0.519	56%	0.56	S	S	.	*			trans	-49	143.2	174.6	-27.5	35.1	0	0	0	111.4	D177	P175-D177 PolarHBondContact O-N 2.9Å
176	N	39.7	Very low	40.6	Very low	70 Å²	70	96.5 Å²	96.5	37%	0.374	56%	0.558	S	S	.	*			trans	-50.2	128.2	-168.1	-91	-8	0	0	0	113.7	D178 R626 R657	N176-D178 HydrophobicContact CB-CB 4.24Å; N176-D178 WeakPolarHBondContact CB-OD2 3.28Å; N176-D178 PolarHBondContact ND2-OD2 3.27Å; N176-D178 PolarHBondContact O-N 3.41Å; N176-R626 PolarHBondContact OD1-NH1 2.75Å; N176-R657 PolarHBondContact O-NH1 3.28Å
177	D	41.7	Very low	40.8	Very low	130 Å²	130	99.3 Å²	99.3	70%	0.695	57%	0.566	S	S	*	*			trans	-75.6	67.6	152.4	-97.4	-43.4	0	0	0	109.2	P175 L179 R657	P175-D177 PolarHBondContact O-N 2.9Å; D177-L179 PolarHBondContact O-N 2.83Å; D177-R657 VanDerWaalsContact CA-NH2 3.31Å; D177-R657 IonicContact OD1-CZ 3.38Å; D177-R657 IonicContact OD1-NE 3.53Å; D177-R657 PolarHBondContact OD1-NE 3.21Å; D177-R657 IonicContact OD1-NH2 2.72Å; D177-R657 PolarHBondContact OD1-NH2 2.04Å
178	D	32.6	Very low	40.2	Very low	93 Å²	93	101.6 Å²	101.6	50%	0.497	57%	0.572	S	S	.	*			trans	-61.9	122.5	178.9	-110.7	-62.7	0	0	0	109.8	N176 R657	N176-D178 HydrophobicContact CB-CB 4.24Å; N176-D178 WeakPolarHBondContact CB-OD2 3.28Å; N176-D178 PolarHBondContact ND2-OD2 3.27Å; N176-D178 PolarHBondContact O-N 3.41Å; D178-R657 PolarHBondContact O-NH2 3.44Å
179	L	40.5	Very low	39.5	Very low	163 Å²	163	104.1 Å²	104.1	85%	0.853	60%	0.599	S	S	*	*			trans	-112.3	30.9	175.8	-121.2	169.1	0	0	0	110.1	D177 T181	D177-L179 PolarHBondContact O-N 2.83Å; L179-T181 PolarHBondContact O-N 3.5Å
180	S	30	Very low	38.8	Very low	88 Å²	88	106.5 Å²	106.5	62%	0.615	62%	0.622	S	S	*	*			trans	-90.2	87.8	173.1	-166.6	0	0	0	0	110.6
181	T	40	Very low	38.2	Very low	128 Å²	128	110.9 Å²	110.9	79%	0.785	65%	0.653	S	S	*	*			trans	-101.5	67	162.8	-48.3	0	0	0	0	109.1	L179	L179-T181 PolarHBondContact O-N 3.5Å
182	N	34.1	Very low	37.4	Very low	144 Å²	144	115.1 Å²	115.1	77%	0.77	68%	0.676	S	S	*	*			trans	-143.4	104.2	165.9	-84.1	-39.4	0	0	0	107.3
183	G	31.3	Very low	36.7	Very low	76 Å²	76	114.5 Å²	114.5	78%	0.784	68%	0.684	S	S	*	*			trans	-94.4	131.3	164.6	0	0	0	0	0	108.6
184	D	32.1	Very low	35.6	Very low	165 Å²	165	122 Å²	122	88%	0.882	72%	0.719	S	S	*	*			trans	-63.1	137.8	-174	-62.6	-84.7	0	0	0	113.7
185	V	32	Very low	34.5	Very low	143 Å²	143	127 Å²	127	87%	0.867	75%	0.751	S	S	*	*			trans	-129.3	123.2	152.1	-179.3	0	0	0	0	107.2
186	Q	31	Very low	33.7	Very low	186 Å²	186	129.1 Å²	129.1	87%	0.869	77%	0.767	S	S	*	*			trans	-72.3	148.1	-172.1	-163.8	167.3	-54.3	0	0	111.6
187	P	41.5	Very low	33.4	Very low	114 Å²	114	131.2 Å²	131.2	74%	0.74	79%	0.788	S	S	*	*			trans	-87.4	153	-164.2	33.7	-37.1	0	0	0	115
188	E	27.2	Very low	32.7	Very low	201 Å²	201	128.1 Å²	128.1	94%	0.939	79%	0.786	S	S	*	*			trans	-122.9	164.9	156.5	-75.4	-143.8	106.9	0	0	110.7
189	A	32.3	Very low	32.7	Very low	99 Å²	99	131.9 Å²	131.9	82%	0.818	81%	0.806	S	S	*	*			trans	-90.3	165.7	-171	0	0	0	0	0	114.2
190	S	34.8	Very low	32.2	Very low	117 Å²	117	127.5 Å²	127.5	82%	0.818	80%	0.801	S	S	*	*			trans	-57.4	159.4	179.8	-41.5	0	0	0	0	114
191	P	38.2	Very low	32.3	Very low	122 Å²	122	131.8 Å²	131.8	79%	0.792	82%	0.816	S	S	*	*				-141.1	173.3	94.2	38.9	-26.4	0	0	0	116.1
192	T	31.3	Very low	32	Very low	122 Å²	122	132 Å²	132	75%	0.748	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-69.7	162	172.2	45.2	0	0	0	0	114.2
193	P	34.6	Very low	32.8	Very low	129 Å²	129	130.5 Å²	130.5	84%	0.838	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-102.9	148.4	144.7	35.5	-29.1	0	0	0	112.1
194	E	27.1	Very low	33	Very low	176 Å²	176	133.9 Å²	133.9	82%	0.822	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-97.5	149.2	176.8	-74.6	-176.1	97.8	0	0	113.4
195	V	30.2	Very low	33.3	Very low	121 Å²	121	134.7 Å²	134.7	73%	0.733	82%	0.819	S	S	*	*			trans	35.9	122.7	135	-175.3	0	0	0	0	119.9
196	S	26.1	Very low	34.5	Very low	125 Å²	125	132.6 Å²	132.6	87%	0.874	81%	0.808	S	S	*	*				-148.1	151.6	126.7	-163	0	0	0	0	111
197	S	32.2	Very low	34.7	Very low	114 Å²	114	130.7 Å²	130.7	80%	0.797	80%	0.803	S	S	*	*			trans	-106.3	164.2	-164.7	-53.1	0	0	0	0	113.4
198	G	28.1	Very low	34.3	Very low	64 Å²	64	131.1 Å²	131.1	66%	0.66	80%	0.799	S	S	*	*			trans	171.5	84.9	166.6	0	0	0	0	0	116.5
199	D	32.3	Very low	34.6	Very low	173 Å²	173	129.6 Å²	129.6	93%	0.925	79%	0.792	S	S	*	*			trans	54.5	151.1	147.4	-49	-38.6	0	0	0	121.6
200	G	29.8	Very low	34.7	Very low	71 Å²	71	132.9 Å²	132.9	73%	0.732	79%	0.794	S	S	*	*			trans	179.2	-27.2	175.8	0	0	0	0	0	121.2
201	L	33	Very low	35.6	Very low	178 Å²	178	132.5 Å²	132.5	93%	0.932	79%	0.789	S	S	*	*			trans	65.6	161.1	179.3	-58.6	172.8	0	0	0	118
202	T	32	Very low	35.3	Very low	133 Å²	133	133.2 Å²	133.2	82%	0.816	79%	0.791	S	S	*	*			trans	-132.1	-170.9	179.1	64.1	0	0	0	0	108.4
203	P	52.7	Low	35.7	Very low	111 Å²	111	135.4 Å²	135.4	72%	0.721	79%	0.793	S	S	*	*			cis	-125.4	-167.3	-23.7	38	-21.2	0	0	0	111.5
204	V	34.8	Very low	36.5	Very low	147 Å²	147	134.1 Å²	134.1	89%	0.891	78%	0.784	S	S	*	*			trans	179.9	162.8	133.8	146.4	0	0	0	0	110.4
205	E	38.2	Very low	36.8	Very low	183 Å²	183	131.7 Å²	131.7	86%	0.855	78%	0.781	S	S	*	*			trans	-107.2	-174.8	-158.3	-102.3	-163.2	113.6	0	0	115.6
206	P	56.5	Low	37.2	Very low	99 Å²	99	133.5 Å²	133.5	64%	0.643	79%	0.786	S	S	*	*			trans	-114.2	-143.4	-151.8	44.4	-33.7	0	0	0	115.2
207	L	36.1	Very low	37.4	Very low	146 Å²	146	135.6 Å²	135.6	76%	0.764	79%	0.786	S	S	*	*			trans	86.3	152.5	175.4	-53.9	-179.5	0	0	0	115.5
208	D	33.1	Very low	37.8	Very low	123 Å²	123	140.7 Å²	140.7	66%	0.658	79%	0.788	S	S	*	*			cis	-156.3	170.5	5.8	-128.5	-22.9	0	0	0	116.5
209	E	33	Very low	38	Very low	169 Å²	169	145.2 Å²	145.2	79%	0.79	80%	0.797	S	S	*	*			trans	42	148.7	151.2	-69.4	-170.9	142.3	0	0	126.3
210	I	35.5	Very low	38	Very low	168 Å²	168	143 Å²	143	86%	0.862	79%	0.785	S	S	*	*			trans	-152.5	116.6	172.4	-58.8	175.8	0	0	0	109.7
211	P	52.3	Low	38.9	Very low	109 Å²	109	145.4 Å²	145.4	71%	0.708	79%	0.788	S	S	*	*				-160	171.1	115.7	39.9	-21.5	0	0	0	117.5
212	T	31.7	Very low	38.9	Very low	137 Å²	137	144.4 Å²	144.4	84%	0.84	78%	0.778	S	S	*	*				164.2	147.7	120.3	-60.2	0	0	0	0	112.7
213	E	41	Very low	38.9	Very low	168 Å²	168	148 Å²	148	79%	0.785	78%	0.783	S	S	*	*			trans	-83.4	-173.2	179	-116	-162.1	108.9	0	0	113.4
214	P	51.8	Low	37.8	Very low	101 Å²	101	149.1 Å²	149.1	66%	0.656	78%	0.783	S	S	*	*			cis	-123.1	-147.1	16.3	29	-2.2	0	0	0	112.5
215	T	31.3	Very low	37.7	Very low	125 Å²	125	149.4 Å²	149.4	77%	0.767	79%	0.785	S	S	*	*			cis	-162.2	-177	20.5	-23.2	0	0	0	0	112.3
216	L	40.5	Very low	37.5	Very low	159 Å²	159	149 Å²	149	83%	0.832	78%	0.783	S	S	*	*			trans	-113.2	160.9	-177.4	-64.3	166.4	0	0	0	113.6
217	I	30.2	Very low	37.2	Very low	170 Å²	170	149.9 Å²	149.9	87%	0.872	79%	0.789	S	S	*	*				-178.4	158.6	124.4	-94.6	159.2	0	0	0	110.6
218	R	38.8	Very low	37	Very low	220 Å²	220	149.5 Å²	149.5	83%	0.83	79%	0.793	S	S	*	*			trans	-131.7	158.9	174.3	88.1	-176.1	-164.1	-146.8	2.2	109.2
219	D	33.1	Very low	38.4	Very low	159 Å²	159	149.2 Å²	149.2	85%	0.85	80%	0.798	S	S	*	*			trans	-162.6	167.2	147.3	-104.5	-31.2	0	0	0	113.6
220	D	32.2	Very low	38.4	Very low	127 Å²	127	148 Å²	148	68%	0.679	80%	0.801	S	S	*	*			trans	-119.3	165.9	-176.3	-160.7	-6.8	0	0	0	108.6
221	P	49	Very low	38.4	Very low	122 Å²	122	147 Å²	147	79%	0.792	80%	0.798	S	S	*	*				-149.9	156.1	108.8	37	-20.2	0	0	0	117.5
222	Q	32.9	Very low	37.3	Very low	157 Å²	157	149.1 Å²	149.1	73%	0.734	80%	0.803	S	S	*	*			trans	-67.1	159.6	174.2	-58.1	172	-12.3	0	0	114.7
223	F	31.2	Very low	37.5	Very low	207 Å²	207	148.7 Å²	148.7	91%	0.908	80%	0.795	S	S	*	*			trans	-149.9	142.2	140.3	-125.7	-85.1	0	0	0	111.9
224	N	31.4	Very low	36.9	Very low	136 Å²	136	149.9 Å²	149.9	73%	0.727	80%	0.797	S	S	*	*			trans	-99.5	145.6	178.7	-70.9	-21.2	0	0	0	111.9
225	T	31.5	Very low	35.9	Very low	152 Å²	152	150.3 Å²	150.3	93%	0.933	80%	0.798	S	S	*	*			trans	-163.8	168.6	135.4	-1	0	0	0	0	113.6
226	E	33.9	Very low	36	Very low	176 Å²	176	151.6 Å²	151.6	82%	0.822	80%	0.799	S	S	*	*			trans	-102.3	152.8	-167.5	-173.6	178.8	141	0	0	112.4
227	P	50	Low	35.8	Very low	116 Å²	116	148.2 Å²	148.2	75%	0.753	80%	0.795	S	S	*	*			trans	-98.6	138.5	-175.5	36	-33	0	0	0	114.9
228	T	33.4	Very low	36.2	Very low	139 Å²	139	144.3 Å²	144.3	85%	0.853	79%	0.788	S	S	*	*			trans	-145.5	158.9	159.7	21.7	0	0	0	0	111.2
229	P	60.9	Low	35.7	Very low	117 Å²	117	141 Å²	141	76%	0.76	79%	0.792	S	S	*	*			trans	-105.9	167.9	-162.6	40.6	-35.7	0	0	0	115.1
230	V	34.1	Very low	35.8	Very low	142 Å²	142	139 Å²	139	86%	0.861	79%	0.785	S	S	*	*			trans	-144.3	149.5	157.6	-80.5	0	0	0	0	110.4
231	D	34.7	Very low	35.9	Very low	148 Å²	148	140 Å²	140	79%	0.791	80%	0.796	S	S	*	*			trans	-76.2	166.8	176.4	-47.3	-97.7	0	0	0	112.5
232	D	29.5	Very low	35	Very low	153 Å²	153	137.5 Å²	137.5	82%	0.818	79%	0.793	S	S	*	*				-166.1	165.6	108.1	-130.2	-33.6	0	0	0	115.3
233	I	35	Very low	35.4	Very low	129 Å²	129	141.4 Å²	141.4	66%	0.662	80%	0.801	S	S	*	*			trans	-86.5	151.4	-168	-65.5	155.3	0	0	0	113.1
234	F	29.5	Very low	35.3	Very low	193 Å²	193	138.4 Å²	138.4	85%	0.846	80%	0.799	S	S	*	*			trans	-148.4	146.3	139.6	-133.8	-88.9	0	0	0	112.9	L236	F234-L236 HydrophobicContact CE1-CD1 4.47Å
235	T	30.2	Very low	35.5	Very low	109 Å²	109	139 Å²	139	67%	0.669	80%	0.802	S	S	*	*			trans	-157.1	131.2	-172.8	-49.9	0	0	0	0	113.2
236	L	34.7	Very low	36.8	Very low	152 Å²	152	136.4 Å²	136.4	80%	0.796	79%	0.788	S	S	*	*			trans	-159.3	130.8	154.1	-87.2	120.7	0	0	0	106.5	F234	F234-L236 HydrophobicContact CE1-CD1 4.47Å
237	A	36.5	Very low	36.5	Very low	89 Å²	89	134.1 Å²	134.1	74%	0.736	79%	0.786	S	S	*	*			cis	79.4	144.1	40.4	0	0	0	0	0	113.9
238	A	37.3	Very low	36	Very low	87 Å²	87	136.4 Å²	136.4	72%	0.719	79%	0.787	S	S	*	*			cis	-172.1	160.9	-19.8	0	0	0	0	0	109.6
239	V	29.4	Very low	36.8	Very low	151 Å²	151	134.6 Å²	134.6	92%	0.915	78%	0.778	S	S	*	*			trans	-142.9	153.9	160.9	-175	0	0	0	0	109.4
240	T	34.9	Very low	35.4	Very low	117 Å²	117	134 Å²	134	72%	0.718	77%	0.772	S	S	*	*			trans	-140.4	149.7	-150.9	-46	0	0	0	0	114.1
241	T	34.5	Very low	35.6	Very low	149 Å²	149	132.1 Å²	132.1	91%	0.914	77%	0.765	S	S	*	*			trans	168.9	146	141	27.6	0	0	0	0	111.1
242	G	30.5	Very low	35.4	Very low	69 Å²	69	132.6 Å²	132.6	71%	0.711	77%	0.773	S	S	*	*			cis	-179.1	125.3	-12.9	0	0	0	0	0	115.5
243	R	40.4	Very low	35.8	Very low	239 Å²	239	132.5 Å²	132.5	90%	0.902	77%	0.773	S	S	*	*			trans	38.4	122	143.2	-172.4	179.6	-167.1	167.6	6	122.2
244	T	29.1	Very low	37	Very low	143 Å²	143	130.9 Å²	130.9	88%	0.877	77%	0.77	S	S	*	*				-162.3	158.6	117.2	22.1	0	0	0	0	112.6
245	D	36	Very low	37	Very low	149 Å²	149	128.1 Å²	128.1	80%	0.797	76%	0.764	S	S	*	*			trans	-141.5	-177	-174.7	-152.6	32.7	0	0	0	106.3
246	P	57.3	Low	37.2	Very low	97 Å²	97	130.3 Å²	130.3	63%	0.63	77%	0.767	S	S	*	*			cis	-143.3	-172.2	7.4	36.9	-13	0	0	0	117.4
247	T	29.5	Very low	37	Very low	128 Å²	128	128.2 Å²	128.2	79%	0.785	76%	0.761	S	S	*	*			trans	131.4	120.3	133.1	-48.1	0	0	0	0	117.2
248	E	39.7	Very low	36.6	Very low	165 Å²	165	130 Å²	130	77%	0.771	76%	0.763	S	S	*	*			trans	-94.3	174.6	163.2	-137.4	-148.4	109.6	0	0	109.4	T250	E248-T250 PolarHBondContact OE1-N 3.02Å
249	P	48.3	Very low	36.4	Very low	101 Å²	101	131.9 Å²	131.9	66%	0.656	77%	0.766	S	S	*	*				-161.3	-177.8	55.4	46.9	-24.2	0	0	0	120
250	T	31.7	Very low	37.2	Very low	104 Å²	104	130 Å²	130	64%	0.638	76%	0.756	S	S	*	*			trans	66.8	125.7	147.1	-48.5	0	0	0	0	118.2	E248	E248-T250 PolarHBondContact OE1-N 3.02Å
251	S	38.3	Very low	37.3	Very low	103 Å²	103	131.8 Å²	131.8	72%	0.72	76%	0.761	S	S	*	*			cis	88.8	119.1	26.3	90	0	0	0	0	118
252	V	31.6	Very low	37.3	Very low	157 Å²	157	130.6 Å²	130.6	95%	0.952	75%	0.753	S	S	*	*			trans	-152.4	133	160.6	-176.1	0	0	0	0	111
253	D	37.4	Very low	38	Very low	152 Å²	152	133.4 Å²	133.4	81%	0.813	76%	0.758	S	S	*	*			trans	-173.1	162.7	178.8	-165.9	40.4	0	0	0	108.2
254	P	60.9	Low	37.9	Very low	94 Å²	94	126.8 Å²	126.8	61%	0.61	75%	0.749	S	S	*	*			cis	-127.6	-175.6	-12.5	42.5	-27.8	0	0	0	114.8
255	D	28.5	Very low	38.4	Very low	135 Å²	135	129 Å²	129	72%	0.722	75%	0.749	S	S	*	*			trans	-156.8	123.2	141.3	-117.7	3.5	0	0	0	108.4
256	Q	34.9	Very low	39.1	Very low	155 Å²	155	127.2 Å²	127.2	72%	0.724	75%	0.746	S	S	*	*				68.2	143.7	65.7	-65.7	-161.8	99.3	0	0	115.5
257	T	29.2	Very low	38	Very low	109 Å²	109	129.9 Å²	129.9	67%	0.669	76%	0.755	S	S	*	*			cis	-164.7	162.7	-14.3	-89.8	0	0	0	0	108.1
258	T	28.7	Very low	38.3	Very low	127 Å²	127	129 Å²	129	78%	0.779	75%	0.754	S	S	*	*			trans	116	128.9	157.5	-43.7	0	0	0	0	116.7
259	T	33.9	Very low	37.8	Very low	126 Å²	126	124.5 Å²	124.5	77%	0.773	75%	0.752	S	S	*	*			trans	-130.5	152.2	164.8	-31.8	0	0	0	0	108.2
260	P	46.8	Very low	37.2	Very low	111 Å²	111	126.9 Å²	126.9	72%	0.721	76%	0.764	S	S	*	*				-152	130.9	109.4	34.1	-14.9	0	0	0	117.3
261	L	36.1	Very low	37.5	Very low	155 Å²	155	129.4 Å²	129.4	81%	0.812	77%	0.773	S	S	*	*				31.3	114.6	126.6	-69.1	165.7	0	0	0	118.9
262	V	35.3	Very low	37.1	Very low	124 Å²	124	131.1 Å²	131.1	75%	0.752	77%	0.774	S	S	*	*				142.7	159.8	85.3	148	0	0	0	0	107.8
263	P	44.7	Very low	37.3	Very low	127 Å²	127	130.7 Å²	130.7	83%	0.825	77%	0.766	S	S	*	*			cis	-118.8	-145	-3.7	41.6	-24.6	0	0	0	113.9
264	S	38.4	Very low	37.2	Very low	101 Å²	101	127.9 Å²	127.9	71%	0.706	76%	0.758	S	S	*	*			trans	-124.3	150.3	-159.8	54.1	0	0	0	0	117.3
265	E	38.7	Very low	36.1	Very low	188 Å²	188	131 Å²	131	88%	0.879	77%	0.769	S	S	*	*			trans	61.9	170.3	158.9	-65.9	-164.7	149.8	0	0	118.4
266	P	51.5	Low	36.3	Very low	113 Å²	113	130.6 Å²	130.6	73%	0.734	77%	0.771	S	S	*	*			cis	-131.9	172.4	-2.9	42.3	-26.5	0	0	0	117.3
267	N	33.2	Very low	36.3	Very low	153 Å²	153	128.5 Å²	128.5	82%	0.818	77%	0.774	S	S	*	*			trans	32.7	151.4	141.8	-158.4	27.3	0	0	0	124.7
268	S	35.6	Very low	36.8	Very low	110 Å²	110	131.6 Å²	131.6	77%	0.769	78%	0.781	S	S	*	*			trans	118.3	154.3	152.5	-48.2	0	0	0	0	117.2
269	G	29.2	Very low	37	Very low	70 Å²	70	132.1 Å²	132.1	72%	0.722	78%	0.778	S	S	*	*			trans	-141.6	-176.5	167.4	0	0	0	0	0	110.6
270	V	35.7	Very low	37	Very low	151 Å²	151	133.4 Å²	133.4	92%	0.915	78%	0.775	S	S	*	*			trans	-169.4	171.7	165.3	129.7	0	0	0	0	112.5
271	L	39.4	Very low	36.2	Very low	156 Å²	156	133.6 Å²	133.6	82%	0.817	77%	0.774	S	S	*	*			trans	-92.6	174.2	-163.9	-53.9	161.5	0	0	0	116
272	D	29.2	Very low	36.7	Very low	139 Å²	139	133.5 Å²	133.5	74%	0.743	77%	0.77	S	S	*	*				-170.6	128.4	127.6	-113.3	17.9	0	0	0	111
273	L	36.4	Very low	37.9	Very low	149 Å²	149	132.7 Å²	132.7	78%	0.78	77%	0.767	S	S	*	*				84.9	144.3	81.3	-80.7	-171.2	0	0	0	115.5
274	S	34.5	Very low	37.6	Very low	92 Å²	92	131.9 Å²	131.9	64%	0.643	76%	0.76	S	S	*	*			cis	-161.3	162.4	10.9	48.6	0	0	0	0	116.3
275	L	37.5	Very low	37.7	Very low	160 Å²	160	131.4 Å²	131.4	84%	0.838	76%	0.762	S	S	*	*			trans	64.2	169.1	162.2	-64.7	166.4	0	0	0	117.9
276	T	32.8	Very low	37.7	Very low	126 Å²	126	127.5 Å²	127.5	77%	0.773	76%	0.756	S	S	*	*			cis	-153.1	-176.3	5.7	-16.9	0	0	0	0	108.3
277	S	35	Very low	37.1	Very low	112 Å²	112	127.3 Å²	127.3	78%	0.783	76%	0.757	S	S	*	*			cis	-159.6	-157.5	1	-163.4	0	0	0	0	110.4
278	E	41.2	Very low	37.2	Very low	174 Å²	174	123.4 Å²	123.4	81%	0.813	75%	0.753	S	S	*	*			trans	-138.9	-179	-166.1	-62.9	-170.1	81.3	0	0	118.6
279	L	32.2	Very low	37.4	Very low	137 Å²	137	123.2 Å²	123.2	72%	0.717	76%	0.758	S	S	*	*			trans	88.6	141.2	166.6	-91.1	67.5	0	0	0	119.2
280	Q	34.3	Very low	37.8	Very low	153 Å²	153	125.3 Å²	125.3	72%	0.715	76%	0.762	S	S	*	*			cis	-162.4	147.7	-4.4	-148.3	167.5	16.8	0	0	115.5
281	T	30.3	Very low	37.9	Very low	115 Å²	115	122.1 Å²	122.1	71%	0.706	75%	0.751	S	S	*	*			trans	50	121.6	151.2	44.7	0	0	0	0	125.6
282	E	45	Very low	38	Very low	154 Å²	154	122.4 Å²	122.4	72%	0.72	75%	0.752	S	S	*	*				41.5	162.9	104.1	-85.3	-116.4	118.1	0	0	122.4	T284	E282-T284 WeakPolarHBondContact OE1-CG2 3.28Å
283	P	61	Low	38.2	Very low	106 Å²	106	124.8 Å²	124.8	69%	0.688	76%	0.758	S	S	*	*			cis	-121.6	-175.3	2.8	40.5	-26.7	0	0	0	112.8
284	T	39.3	Very low	38.3	Very low	111 Å²	111	123.6 Å²	123.6	68%	0.681	76%	0.758	S	S	*	*			cis	-170.7	153.2	-22.5	32.9	0	0	0	0	104.6	E282	E282-T284 WeakPolarHBondContact OE1-CG2 3.28Å
285	A	39.9	Very low	38.4	Very low	91 Å²	91	126.9 Å²	126.9	75%	0.752	76%	0.762	S	S	*	*			cis	-142.3	-113	-15.7	0	0	0	0	0	106.1
286	S	38.8	Very low	38	Very low	106 Å²	106	126.5 Å²	126.5	74%	0.741	76%	0.76	S	S	*	*			cis	-172.9	161.2	-20.2	-128.1	0	0	0	0	106.9
287	S	39.3	Very low	38	Very low	108 Å²	108	125.4 Å²	125.4	76%	0.755	76%	0.757	S	S	*	*			cis	176.5	129	-34.9	50.3	0	0	0	0	107.6
288	G	34.1	Very low	38.9	Very low	71 Å²	71	125.4 Å²	125.4	73%	0.732	76%	0.755	S	S	*	*			cis	167.7	-168.3	-3.6	0	0	0	0	0	111
289	A	40.4	Very low	38.2	Very low	106 Å²	106	121.7 Å²	121.7	88%	0.876	75%	0.748	S	S	*	*			trans	74.5	145.3	169.9	0	0	0	0	0	118
290	S	37.8	Very low	38.1	Very low	115 Å²	115	122.7 Å²	122.7	80%	0.804	75%	0.754	S	S	*	*			cis	-159.6	160.9	-4.1	-137.9	0	0	0	0	114.3
291	A	37.1	Very low	37.9	Very low	84 Å²	84	119.9 Å²	119.9	69%	0.694	76%	0.757	S	S	*	*			trans	39.3	139.9	155.5	0	0	0	0	0	121.6
292	I	42.6	Very low	38.5	Very low	162 Å²	162	119.7 Å²	119.7	83%	0.831	76%	0.758	S	S	*	*			cis	80.5	111	15.6	-49.6	178.2	0	0	0	117.4
293	E	33.2	Very low	37.7	Very low	188 Å²	188	121 Å²	121	88%	0.879	76%	0.764	S	S	*	*				-174.9	167.6	126.6	-107.7	-178.1	179.5	0	0	112.8
294	T	38.2	Very low	36.2	Very low	125 Å²	125	121.2 Å²	121.2	77%	0.767	76%	0.763	S	S	*	*			trans	-159.6	143.1	-172.7	-55.5	0	0	0	0	111.5
295	E	36.3	Very low	35.5	Very low	160 Å²	160	121 Å²	121	75%	0.748	77%	0.766	S	S	*	*			trans	161.2	157.2	138.6	-93.9	-66.8	93.4	0	0	117.1
296	I	29.9	Very low	35.3	Very low	152 Å²	152	124.8 Å²	124.8	78%	0.779	77%	0.768	S	S	*	*			trans	78.1	148.6	153.1	-70	155.3	0	0	0	121.8
297	S	32.1	Very low	34.8	Very low	103 Å²	103	126.5 Å²	126.5	72%	0.72	77%	0.774	S	S	*	*			trans	-144.7	156.6	179.6	177.9	0	0	0	0	109.7
298	P	53.3	Low	34.5	Very low	112 Å²	112	129 Å²	129	73%	0.727	78%	0.779	S	S	*	*				-159.8	-176.1	110.7	41.7	-22.3	0	0	0	118
299	S	28	Very low	34.4	Very low	97 Å²	97	130.2 Å²	130.2	68%	0.678	78%	0.782	S	S	*	*			trans	101.5	108.9	142.6	-87	0	0	0	0	123.8
300	D	29.5	Very low	33.9	Very low	157 Å²	157	133.1 Å²	133.1	84%	0.84	78%	0.775	S	S	*	*				80	154.8	129.8	-60.7	-59.5	0	0	0	124.2
301	A	30.2	Very low	33.5	Very low	94 Å²	94	133 Å²	133	78%	0.777	77%	0.766	S	S	*	*			trans	-112.3	-159.5	-171.2	0	0	0	0	0	110.9
302	P	42.9	Very low	33.3	Very low	112 Å²	112	135.1 Å²	135.1	73%	0.727	77%	0.765	S	S	*	*			cis	-112.5	161.7	-1.6	7.3	20.3	0	0	0	113.6
303	E	28.2	Very low	32.9	Very low	180 Å²	180	134.6 Å²	134.6	84%	0.841	76%	0.76	S	S	*	*				85.6	146.7	67.8	-148	-155.4	163.5	0	0	116
304	V	28.3	Very low	32.9	Very low	111 Å²	111	133.3 Å²	133.3	67%	0.673	75%	0.754	S	S	*	*			trans	94.3	121.5	157.2	-172.5	0	0	0	0	121.7
305	S	25.7	Very low	32.8	Very low	107 Å²	107	135.2 Å²	135.2	75%	0.748	75%	0.754	S	S	*	*			trans	93.2	132	144.7	68.7	0	0	0	0	124.7
306	H	34.8	Very low	32.7	Very low	170 Å²	170	134 Å²	134	79%	0.787	75%	0.752	S	S	*	*			trans	-65.8	166	169.9	-39.9	-98.3	0	0	0	115.1
307	T	28.9	Very low	33	Very low	142 Å²	142	134 Å²	134	87%	0.871	75%	0.749	S	S	*	*				-171.4	172.8	110.5	20.4	0	0	0	0	113.1
308	N	32.5	Very low	33	Very low	160 Å²	160	135 Å²	135	86%	0.856	75%	0.746	S	S	*	*			trans	-109.4	143.3	-167.6	-50.1	-41	0	0	0	114
309	A	32.7	Very low	31.9	Very low	97 Å²	97	135.7 Å²	135.7	80%	0.802	75%	0.754	S	S	*	*			trans	-165.7	132.2	138.9	0	0	0	0	0	107.4
310	K	30.4	Very low	32.5	Very low	168 Å²	168	139.3 Å²	139.3	73%	0.73	76%	0.76	S	S	*	*			cis	95.5	135.7	25.2	-164.8	-171.7	176.9	-74.3	0	113.2
311	D	29.3	Very low	32.8	Very low	113 Å²	113	138.4 Å²	138.4	60%	0.604	75%	0.754	S	S	*	*			trans	75.4	149.2	176.1	-61	-18.5	0	0	0	117.1
312	L	31.6	Very low	32.6	Very low	128 Å²	128	139 Å²	139	67%	0.67	75%	0.749	S	S	*	*			cis	-168.9	131.6	-26.5	-108.3	172.4	0	0	0	109
313	M	34.9	Very low	31.8	Very low	150 Å²	150	140.5 Å²	140.5	74%	0.739	76%	0.756	S	S	*	*			trans	57.2	178.3	157.8	-55.7	-173.5	-54.2	0	0	116
314	E	33.9	Very low	31.8	Very low	161 Å²	161	137.9 Å²	137.9	75%	0.752	75%	0.753	S	S	*	*			cis	-142	-165.2	0.6	-148.5	150.4	137.5	0	0	111.2
315	E	36.2	Very low	32.1	Very low	165 Å²	165	138.3 Å²	138.3	77%	0.771	76%	0.761	S	S	*	*			trans	-94.3	-170.8	-162	-51.2	-174.6	94.8	0	0	117.2
316	L	33.6	Very low	32.3	Very low	135 Å²	135	136.7 Å²	136.7	71%	0.707	76%	0.76	S	S	*	*			trans	76	143.9	155.3	-94.1	66.5	0	0	0	118
317	E	35.1	Very low	32	Very low	151 Å²	151	136.3 Å²	136.3	71%	0.706	76%	0.763	S	S	*	*			cis	-154.4	169.7	-12.2	-147.9	-177.7	152.5	0	0	112.4
318	N	32.9	Very low	32.1	Very low	125 Å²	125	134.2 Å²	134.2	67%	0.668	75%	0.754	S	S	*	*			trans	-20.2	145.4	166.1	-69.3	-49.1	0	0	0	119.4
319	S	30	Very low	31.8	Very low	127 Å²	127	132.5 Å²	132.5	89%	0.888	75%	0.75	S	S	*	*				-152.3	150.1	124.2	-85.4	0	0	0	0	112
320	Q	40.3	Very low	31.8	Very low	172 Å²	172	134.7 Å²	134.7	80%	0.804	75%	0.747	S	S	*	*			trans	-96.2	168.7	-173.1	-59.3	171.8	-38.4	0	0	112.5
321	L	35.8	Very low	31.9	Very low	138 Å²	138	130.2 Å²	130.2	72%	0.723	74%	0.742	S	S	*	*				136.3	118.4	108.9	-146.6	73.5	0	0	0	115.2
322	T	27.5	Very low	32	Very low	108 Å²	108	130.1 Å²	130.1	66%	0.663	75%	0.75	S	S	*	*			trans	28.6	139.2	151.2	63.5	0	0	0	0	122.5
323	T	25.1	Very low	32	Very low	143 Å²	143	129.5 Å²	129.5	88%	0.877	75%	0.751	S	S	*	*				-162.4	172.6	109.2	12.1	0	0	0	0	112
324	T	29.2	Very low	31.8	Very low	125 Å²	125	127 Å²	127	77%	0.767	74%	0.744	S	S	*	*			trans	-124	169.8	-164.4	50.9	0	0	0	0	113.9
325	S	33.2	Very low	32	Very low	120 Å²	120	127 Å²	127	84%	0.839	74%	0.744	S	S	*	*			trans	106.9	129	147.6	-46.3	0	0	0	0	118.9
326	G	29.6	Very low	31.7	Very low	72 Å²	72	126.3 Å²	126.3	74%	0.742	74%	0.741	S	S	*	*			trans	127.3	84	131.8	0	0	0	0	0	121.8
327	L	30.4	Very low	31.6	Very low	163 Å²	163	125.1 Å²	125.1	85%	0.853	74%	0.739	S	S	*	*				70.6	119.8	121.7	-160.7	69.4	0	0	0	123.1
328	S	30.3	Very low	31.1	Very low	97 Å²	97	123.2 Å²	123.2	68%	0.678	74%	0.738	S	S	*	*			trans	53.7	149.3	145.6	-58.5	0	0	0	0	121.8
329	T	26.5	Very low	31	Very low	124 Å²	124	122.3 Å²	122.3	76%	0.761	74%	0.742	S	S	*	*			cis	-145.4	-157.7	4.9	-8.7	0	0	0	0	108.4
330	L	32	Very low	31.1	Very low	144 Å²	144	121.5 Å²	121.5	75%	0.754	74%	0.736	S	S	*	*			cis	-151.9	154.1	11.9	-152.5	63.9	0	0	0	105.4
331	A	32.4	Very low	31.5	Very low	74 Å²	74	118.3 Å²	118.3	61%	0.612	73%	0.73	S	S	*	*				62.8	131.1	50.6	0	0	0	0	0	114.6
332	S	32.5	Very low	31.2	Very low	110 Å²	110	118.5 Å²	118.5	77%	0.769	73%	0.732	S	S	*	*			cis	-136.5	-151.6	-1.8	-56.9	0	0	0	0	109.4
333	V	31.2	Very low	31.2	Very low	116 Å²	116	118.6 Å²	118.6	70%	0.703	73%	0.733	S	S	*	*			cis	-158	124.2	9.8	100.2	0	0	0	0	106.7
334	T	31	Very low	31.3	Very low	96 Å²	96	120.1 Å²	120.1	59%	0.589	73%	0.73	S	S	*	*				65.5	159.6	94.9	79.4	0	0	0	0	116.9
335	E	37.6	Very low	31.2	Very low	162 Å²	162	119.2 Å²	119.2	76%	0.757	73%	0.729	S	S	*	*			cis	-130.2	-168.8	8.9	-134.9	75.9	-118.8	0	0	108.3
336	E	30.3	Very low	31.1	Very low	151 Å²	151	118.9 Å²	118.9	71%	0.706	73%	0.726	S	S	*	*			cis	-151.6	-145.8	9.1	-139	-113.5	70.3	0	0	111.2
337	T	30.4	Very low	32.2	Very low	109 Å²	109	120.3 Å²	120.3	67%	0.669	72%	0.722	S	S	*	*			trans	-125.3	-160.2	-166.5	71.1	0	0	0	0	112.9
338	T	25.8	Very low	32.1	Very low	111 Å²	111	120.9 Å²	120.9	68%	0.681	72%	0.721	S	S	*	*			cis	-155.7	148.2	15.6	-18	0	0	0	0	114.5
339	S	29.8	Very low	32	Very low	107 Å²	107	120.3 Å²	120.3	75%	0.748	72%	0.717	S	S	*	*			trans	55.3	137.3	139.5	63	0	0	0	0	126.1
340	S	31.6	Very low	32	Very low	110 Å²	110	121.3 Å²	121.3	77%	0.769	72%	0.716	S	S	*	*			trans	-72.1	-171.2	152	-33	0	0	0	0	112.3
341	P	50.1	Low	31.8	Very low	104 Å²	104	120.1 Å²	120.1	68%	0.675	72%	0.715	S	S	*	*			cis	-144.8	-169	7.3	44.9	-24.3	0	0	0	117.8
342	N	28.6	Very low	31.4	Very low	143 Å²	143	123 Å²	123	77%	0.765	73%	0.725	S	S	*	*			trans	76.7	115.7	147.4	-73.3	0.4	0	0	0	124.1
343	T	27.6	Very low	31.2	Very low	109 Å²	109	123 Å²	123	67%	0.669	73%	0.725	S	S	*	*				85.4	125.6	117	-53.2	0	0	0	0	123.4
344	E	27	Very low	31.5	Very low	176 Å²	176	122.7 Å²	122.7	82%	0.822	73%	0.728	S	S	*	*			trans	84.3	153.5	150.9	-90.7	179.6	104.7	0	0	125.8
345	S	27.9	Very low	32.6	Very low	106 Å²	106	123.4 Å²	123.4	74%	0.741	73%	0.734	S	S	*	*			trans	58.7	103.8	155.4	42.5	0	0	0	0	123.9
346	S	29.7	Very low	32.3	Very low	112 Å²	112	121.8 Å²	121.8	78%	0.783	73%	0.731	S	S	*	*			trans	-62.2	169.3	133.5	-135.6	0	0	0	0	110.6
347	P	53	Low	32.3	Very low	102 Å²	102	120.5 Å²	120.5	66%	0.662	73%	0.733	S	S	*	*			cis	-148.6	-166.3	26.5	44.9	-23.5	0	0	0	117.7
348	E	29.6	Very low	32.3	Very low	176 Å²	176	121.5 Å²	121.5	82%	0.822	73%	0.733	S	S	*	*			trans	70.4	156.7	158.3	-71.2	-178.3	-167.2	0	0	119.1
349	S	26.5	Very low	32.7	Very low	85 Å²	85	123.3 Å²	123.3	59%	0.594	73%	0.734	S	S	*	*			cis	-169.1	-175.8	-27.8	60.8	0	0	0	0	111
350	I	27.8	Very low	32.5	Very low	145 Å²	145	124 Å²	124	74%	0.744	73%	0.729	S	S	*	*			trans	77.2	105.4	155.8	-67.3	165.6	0	0	0	119.8
351	T	26.6	Very low	32.5	Very low	118 Å²	118	124.5 Å²	124.5	72%	0.724	73%	0.728	S	S	*	*			trans	13.8	159.9	137.7	36.3	0	0	0	0	125.1
352	T	24.8	Very low	31.8	Very low	135 Å²	135	124.9 Å²	124.9	83%	0.828	73%	0.733	S	S	*	*			trans	110.9	145.7	164.2	62.6	0	0	0	0	114.8
353	S	28.7	Very low	31.8	Very low	109 Å²	109	125.1 Å²	125.1	76%	0.762	73%	0.734	S	S	*	*			cis	-168.3	152.5	-20.5	49	0	0	0	0	111
354	S	36.7	Very low	32	Very low	110 Å²	110	123.5 Å²	123.5	77%	0.769	73%	0.731	S	S	*	*			trans	-69.8	164.7	159.7	-34.2	0	0	0	0	110.6
355	P	54.4	Low	32	Very low	112 Å²	112	120.5 Å²	120.5	73%	0.727	73%	0.726	S	S	*	*				-138.6	-151.7	59.5	34.7	-9.7	0	0	0	111.8
356	D	31.3	Very low	32.1	Very low	127 Å²	127	123.4 Å²	123.4	68%	0.679	73%	0.732	S	S	*	*			cis	-165.3	-169.9	14.5	-144.2	-36.7	0	0	0	112.6
357	V	30.3	Very low	32.2	Very low	124 Å²	124	124.1 Å²	124.1	75%	0.752	73%	0.732	S	S	*	*			trans	83.1	105	170.4	-174	0	0	0	0	113.9
358	L	29.8	Very low	31.9	Very low	130 Å²	130	124.7 Å²	124.7	68%	0.681	74%	0.735	S	S	*	*				67.8	137.6	56	-54.2	173	0	0	0	112.7
359	Q	34.4	Very low	32	Very low	149 Å²	149	121.3 Å²	121.3	70%	0.696	74%	0.737	S	S	*	*			cis	-148.3	-163.8	1.8	-132.6	157.8	-104.5	0	0	106.7
360	D	26.2	Very low	32.2	Very low	122 Å²	122	120.6 Å²	120.6	65%	0.652	74%	0.743	S	S	*	*			cis	-158.5	-170.5	11.5	-140.7	-44.1	0	0	0	111.7
361	V	31.4	Very low	32.3	Very low	121 Å²	121	120.9 Å²	120.9	73%	0.733	75%	0.747	S	S	*	*			trans	-95.8	163.3	-178.5	-64.7	0	0	0	0	114.1
362	S	35	Very low	32.5	Very low	111 Å²	111	122.7 Å²	122.7	78%	0.776	75%	0.747	S	S	*	*				161.5	165.2	76.4	40	0	0	0	0	109.5
363	D	28.9	Very low	32.9	Very low	148 Å²	148	123 Å²	123	79%	0.791	74%	0.742	S	S	*	*			cis	-169.1	161.2	-23.1	178.1	34.7	0	0	0	109.1
364	A	32.4	Very low	32.8	Very low	75 Å²	75	126 Å²	126	62%	0.62	75%	0.749	S	S	*	*			trans	59.7	160.3	156.1	0	0	0	0	0	121.6
365	T	27.3	Very low	32.4	Very low	114 Å²	114	125.7 Å²	125.7	70%	0.699	75%	0.747	S	S	*	*			cis	-171.5	143.9	-28.8	-85.7	0	0	0	0	107.2
366	L	29.8	Very low	31.6	Very low	167 Å²	167	125.2 Å²	125.2	87%	0.874	75%	0.746	S	S	*	*			trans	167.7	116.7	135.2	-91.3	171.2	0	0	0	113.8
367	T	31.6	Very low	31.8	Very low	127 Å²	127	125.3 Å²	125.3	78%	0.779	75%	0.752	S	S	*	*			trans	-95.1	-176.8	159.6	36.4	0	0	0	0	108.9
368	P	46.8	Very low	31.9	Very low	114 Å²	114	123.6 Å²	123.6	74%	0.74	75%	0.751	S	S	*	*			cis	-151.9	-175.8	24.8	45.8	-24.3	0	0	0	120.3
369	A	32	Very low	32	Very low	104 Å²	104	121.5 Å²	121.5	86%	0.86	75%	0.752	S	S	*	*			trans	66.3	149.3	160.3	0	0	0	0	0	117.8
370	G	29.2	Very low	32.1	Very low	70 Å²	70	119 Å²	119	72%	0.722	76%	0.757	S	S	*	*			cis	160.5	170.5	-0.1	0	0	0	0	0	107.6
371	D	30	Very low	33.3	Very low	152 Å²	152	118.3 Å²	118.3	81%	0.813	76%	0.759	S	S	*	*			cis	-164.9	166.1	-14.1	-127.2	-38.7	0	0	0	107.8
372	E	31.4	Very low	33.3	Very low	155 Å²	155	119.5 Å²	119.5	72%	0.724	76%	0.761	S	S	*	*			trans	41	124.1	156.9	-65.8	-113.5	89.8	0	0	124.5
373	L	32.2	Very low	33.3	Very low	141 Å²	141	118.9 Å²	118.9	74%	0.738	76%	0.757	S	S	*	*				31.4	125.6	126	-92.7	153.6	0	0	0	122.7
374	L	27.9	Very low	33.6	Very low	174 Å²	174	116.2 Å²	116.2	91%	0.911	76%	0.755	S	S	*	*				-177.1	-174.6	115.4	-100.4	168.5	0	0	0	114.1
375	S	27.2	Very low	33.5	Very low	102 Å²	102	118.6 Å²	118.6	71%	0.713	77%	0.768	S	S	*	*			trans	-136.8	170.7	-164.1	-175.4	0	0	0	0	114.3
376	S	38.6	Very low	33.6	Very low	103 Å²	103	116.4 Å²	116.4	72%	0.72	77%	0.768	S	S	*	*			trans	72	154.4	170.3	76.2	0	0	0	0	116.7
377	T	34.6	Very low	33.5	Very low	129 Å²	129	112.1 Å²	112.1	79%	0.791	76%	0.764	S	S	*	*			cis	-149.4	-168.8	4.3	-15.9	0	0	0	0	107.6
378	A	33.3	Very low	33.4	Very low	88 Å²	88	113 Å²	113	73%	0.727	77%	0.768	S	S	*	*			cis	-166.7	173.9	0.7	0	0	0	0	0	108.4
379	A	31.7	Very low	32.9	Very low	85 Å²	85	114.7 Å²	114.7	70%	0.702	77%	0.771	S	S	*	*			cis	-178.5	149.2	-37.1	0	0	0	0	0	109.9
380	A	37	Very low	33.8	Very low	97 Å²	97	114.5 Å²	114.5	80%	0.802	76%	0.761	S	S	*	*			trans	68	165.1	157	0	0	0	0	0	118.7
381	P	50.8	Low	33.7	Very low	107 Å²	107	117.9 Å²	117.9	70%	0.695	76%	0.763	S	S	*	*			cis	-130.3	158.2	2.1	42.3	-27.1	0	0	0	117.5
382	D	31.5	Very low	33.7	Very low	147 Å²	147	118.2 Å²	118.2	79%	0.786	76%	0.76	S	S	*	*			trans	41.2	155.2	134.6	-68.5	-70.2	0	0	0	124.1
383	S	34.2	Very low	33.6	Very low	98 Å²	98	115.7 Å²	115.7	69%	0.685	76%	0.755	S	S	*	*			cis	-168.9	134.4	-17.9	-111.7	0	0	0	0	107
384	A	35.1	Very low	33.4	Very low	92 Å²	92	115.3 Å²	115.3	76%	0.76	76%	0.758	S	S	*	*				97	156.5	76.2	0	0	0	0	0	115.2
385	S	31.6	Very low	33.5	Very low	125 Å²	125	111.8 Å²	111.8	87%	0.874	76%	0.755	S	S	*	*			trans	79.8	139.9	178.1	-154.3	0	0	0	0	118.6
386	G	29.1	Very low	33.9	Very low	68 Å²	68	115.2 Å²	115.2	70%	0.701	76%	0.759	S	S	*	*			cis	146.4	111.6	-14.3	0	0	0	0	0	116.9
387	G	28.7	Very low	34.3	Very low	77 Å²	77	115.4 Å²	115.4	79%	0.794	76%	0.758	S	S	*	*			trans	79.7	167.9	167.9	0	0	0	0	0	116.2
388	V	28.8	Very low	34.2	Very low	144 Å²	144	115.7 Å²	115.7	87%	0.873	76%	0.755	S	S	*	*			cis	-149.7	144.1	6.4	171	0	0	0	0	110.4
389	N	35.2	Very low	34	Very low	150 Å²	150	117 Å²	117	80%	0.802	76%	0.758	S	S	*	*			trans	-95	162.5	167.1	-92.8	-1.6	0	0	0	109.6
390	P	50.8	Low	34	Very low	100 Å²	100	119.9 Å²	119.9	65%	0.649	76%	0.755	S	S	*	*			cis	-155.1	-160.3	43.1	44.5	-21.5	0	0	0	116.8
391	D	28.8	Very low	34.1	Very low	141 Å²	141	121.3 Å²	121.3	75%	0.754	76%	0.756	S	S	*	*			trans	62.7	160.2	150.6	-61.5	-10.7	0	0	0	121.3
392	E	29.5	Very low	33	Very low	160 Å²	160	121.8 Å²	121.8	75%	0.748	75%	0.753	S	S	*	*			cis	-163.2	153.5	-31.6	170.5	175	157.3	0	0	109.3
393	T	28.2	Very low	33.7	Very low	101 Å²	101	119.8 Å²	119.8	62%	0.62	75%	0.748	S	S	*	*			trans	51.3	103.5	156.2	-64.3	0	0	0	0	121.2
394	T	29.7	Very low	33.6	Very low	133 Å²	133	120.2 Å²	120.2	82%	0.816	75%	0.751	S	S	*	*				43.3	118.5	122.6	-44.2	0	0	0	0	121.9
395	A	29.6	Very low	33.2	Very low	101 Å²	101	125.6 Å²	125.6	84%	0.835	76%	0.757	S	S	*	*			trans	-158.7	124.4	137.4	0	0	0	0	0	112.8
396	E	35.3	Very low	33.1	Very low	174 Å²	174	124 Å²	124	81%	0.813	75%	0.752	S	S	*	*			trans	-88.2	171.7	151.7	-118.7	-163.6	115	0	0	108.1
397	P	46.4	Very low	32.9	Very low	106 Å²	106	126.5 Å²	126.5	69%	0.688	76%	0.758	S	S	*	*			cis	-152.3	174	41.5	44.6	-23.5	0	0	0	119.4
398	D	32.2	Very low	33.4	Very low	136 Å²	136	128 Å²	128	73%	0.727	75%	0.754	S	S	*	*			trans	84.1	146.3	133.5	-112.1	-47.1	0	0	0	125.8
399	S	30.2	Very low	33.2	Very low	114 Å²	114	127.4 Å²	127.4	80%	0.797	75%	0.751	S	S	*	*			trans	90.7	131.6	149.8	77.6	0	0	0	0	121.7
400	K	32.2	Very low	32.9	Very low	147 Å²	147	126 Å²	126	64%	0.639	75%	0.753	S	S	*	*			trans	-115	155.6	-178.3	-171.4	-147.1	174.2	-178.3	0	109.4	D402	K400-D402 IonicContact NZ-OD1 3.43Å; K400-D402 PolarHBondContact NZ-OD1 3.16Å; K400-D402 IonicContact NZ-OD2 2.7Å; K400-D402 PolarHBondContact NZ-OD2 2.92Å
401	P	39.2	Very low	32	Very low	126 Å²	126	130.7 Å²	130.7	82%	0.818	76%	0.763	S	S	*	*				-132.4	172.9	124.4	7.6	14.8	0	0	0	116.4
402	D	26.5	Very low	32.4	Very low	118 Å²	118	129.8 Å²	129.8	63%	0.631	77%	0.765	S	S	*	*			trans	-94.1	-168.3	-175.9	-108.7	-38	0	0	0	112.6	K400	K400-D402 IonicContact NZ-OD1 3.43Å; K400-D402 PolarHBondContact NZ-OD1 3.16Å; K400-D402 IonicContact NZ-OD2 2.7Å; K400-D402 PolarHBondContact NZ-OD2 2.92Å
403	P	46.3	Very low	32.5	Very low	105 Å²	105	131.4 Å²	131.4	68%	0.682	77%	0.772	S	S	*	*			cis	-139.2	-170.7	-7.6	26.2	-0.5	0	0	0	116.4
404	S	31.2	Very low	32.9	Very low	107 Å²	107	132.2 Å²	132.2	75%	0.748	78%	0.782	S	S	*	*			trans	96.2	87.9	140	-68.8	0	0	0	0	123.7
405	K	28.1	Very low	33	Very low	205 Å²	205	135.3 Å²	135.3	89%	0.891	78%	0.784	S	S	*	*				66.8	103.9	110.7	-165.4	171.7	-178.6	178.4	0	122.8
406	A	28.2	Very low	33.1	Very low	92 Å²	92	136.5 Å²	136.5	76%	0.76	78%	0.784	S	S	*	*				100.7	157.6	128.8	0	0	0	0	0	123.5
407	S	25.8	Very low	33	Very low	119 Å²	119	136.1 Å²	136.1	83%	0.832	79%	0.786	S	S	*	*			trans	87.4	149.2	171.5	-86.9	0	0	0	0	119.3
408	P	38.1	Very low	32.3	Very low	108 Å²	108	139.5 Å²	139.5	70%	0.701	79%	0.793	S	S	*	*				-144.3	-176.3	-121.3	44.6	-25.8	0	0	0	118.4
409	T	26.7	Very low	32.2	Very low	133 Å²	133	138.6 Å²	138.6	82%	0.816	79%	0.794	S	S	*	*			trans	74.9	112.3	150.8	-55.5	0	0	0	0	120
410	S	28.7	Very low	32.5	Very low	121 Å²	121	142.1 Å²	142.1	85%	0.846	80%	0.798	S	S	*	*			trans	-148.4	163.8	132.4	58.6	0	0	0	0	110
411	K	31.8	Very low	32.3	Very low	198 Å²	198	141.4 Å²	141.4	86%	0.861	81%	0.806	S	S	*	*			trans	-113.4	139.7	-167.7	-179.9	-174.6	174.8	-173.4	0	110.7
412	P	35.5	Very low	32.1	Very low	122 Å²	122	143.8 Å²	143.8	79%	0.792	81%	0.806	S	S	*	*			trans	-78.7	154.9	-178.1	32.4	-36.3	0	0	0	113.4
413	E	31.5	Very low	32.7	Very low	194 Å²	194	143.9 Å²	143.9	91%	0.907	81%	0.806	S	S	*	*			trans	-107	156.5	175.9	-160.6	165.6	171.7	0	0	111
414	S	37.2	Very low	32.2	Very low	118 Å²	118	144.3 Å²	144.3	83%	0.825	81%	0.806	S	S	*	*			trans	-94.9	155.6	-162.7	49	0	0	0	0	114.8
415	K	31.7	Very low	32.9	Very low	198 Å²	198	143 Å²	143	86%	0.861	79%	0.791	S	S	*	*			trans	-124.8	147.4	166.1	-149.9	165.9	-175.7	179.5	0	108.9
416	P	31.8	Very low	34.3	Very low	126 Å²	126	137.5 Å²	137.5	82%	0.818	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-70.3	158.3	-158	-23.9	36.2	0	0	0	116.2
417	L	34	Very low	35.8	Very low	165 Å²	165	136.8 Å²	136.8	86%	0.864	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-74.2	139.9	169.9	-78.2	71.6	0	0	0	110.7
418	E	30.7	Very low	37.5	Very low	178 Å²	178	139 Å²	139	83%	0.832	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-87.5	145.8	164.7	-163	163.6	-172.7	0	0	109.9	Q420	E418-Q420 PolarHBondContact O-N 2.88Å
419	P	31.2	Very low	38.7	Very low	116 Å²	116	135.8 Å²	135.8	75%	0.753	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-65.1	133.6	-170.6	-23.5	35.1	0	0	0	113.6	T421	P419-T421 PolarHBondContact O-N 3.44Å; P419-T421 VanDerWaalsContact O-N 3.13Å
420	Q	35.3	Very low	40.4	Very low	188 Å²	188	130.3 Å²	130.3	88%	0.879	69%	0.69	S	S	*	*			trans	-67.3	112.1	175.5	-68.7	-176.3	-5.2	0	0	110.8	E418 Q422	E418-Q420 PolarHBondContact O-N 2.88Å; Q420-Q422 PolarHBondContact O-N 3.19Å
421	T	29.3	Very low	42	Very low	132 Å²	132	127.4 Å²	127.4	81%	0.81	66%	0.663	S	S	*	*			trans	-57.6	127.5	176.2	-37	0	0	0	0	110.6	P419	P419-T421 PolarHBondContact O-N 3.44Å; P419-T421 VanDerWaalsContact O-N 3.13Å
422	Q	34.4	Very low	43.3	Very low	177 Å²	177	118 Å²	118	83%	0.827	62%	0.623	S	S	*	*			trans	-62.2	139.8	172.7	-63	-179.1	4.7	0	0	109.5	Q420 T424	Q420-Q422 PolarHBondContact O-N 3.19Å; Q422-T424 PolarHBondContact O-N 2.64Å
423	I	39.6	Very low	44.4	Very low	119 Å²	119	115.4 Å²	115.4	61%	0.61	60%	0.602	S	S	*	*			trans	-74.6	97.4	-179.3	-56.3	170.1	0	0	0	108.6	D425 R606	I423-D425 PolarHBondContact O-N 2.97Å; I423-R606 VanDerWaalsContact CD1-NH1 3.29Å
424	T	34.6	Very low	45.8	Very low	114 Å²	114	109.4 Å²	109.4	70%	0.699	58%	0.577	S	S	*	*			trans	-64.1	117	156.3	39.6	0	0	0	0	107.9	Q422 N426	Q422-T424 PolarHBondContact O-N 2.64Å; T424-N426 PolarHBondContact O-N 3.31Å
425	D	45.7	Very low	47	Very low	80 Å²	80	105.5 Å²	105.5	43%	0.428	55%	0.549	S	S	.	.			trans	-73.7	81.3	-176.2	-156.4	29.9	0	0	0	108.8	I423 L427 Y430 R559 G560	I423-D425 PolarHBondContact O-N 2.97Å; D425-L427 PolarHBondContact O-N 3.11Å; D425-L427 VanDerWaalsContact O-N 3.13Å; D425-Y430 WeakPolarHBondContact OD1-CE2 3.34Å; D425-R559 WeakPolarHBondContact OD2-CG 3.21Å; D425-G560 PolarHBondContact OD2-N 3.18Å
426	N	58.3	Low	49	Very low	89 Å²	89	101.2 Å²	101.2	48%	0.476	54%	0.536	S	S	.	.			trans	-71.4	108.6	-163.7	-153.1	-33.6	0	0	0	109.8	T424 K428 D429	T424-N426 PolarHBondContact O-N 3.31Å; N426-K428 PolarHBondContact O-N 3.23Å; N426-D429 VanDerWaalsContact O-CB 3.31Å; N426-D429 WeakPolarHBondContact O-CB 3.06Å; N426-D429 PolarHBondContact O-N 3.19Å
427	L	59.6	Low	51.4	Low	77 Å²	77	96.7 Å²	96.7	40%	0.403	51%	0.505	S	S	.	.	G	3₁₀ helix	trans	-55.5	-30.8	-164.3	-164.9	67.5	0	0	0	113.9	D425 D429 Y430 Q431 R559	D425-L427 PolarHBondContact O-N 3.11Å; D425-L427 VanDerWaalsContact O-N 3.13Å; L427-D429 PolarHBondContact O-N 3.13Å; L427-D429 VanDerWaalsContact O-N 3.15Å; L427-Y430 PolarHBondContact O-N 3.15Å; L427-Q431 HydrophobicContact CG-CG 4.22Å; L427-Q431 VanDerWaalsContact CG-OE1 3.24Å; L427-Q431 PolarHBondContact O-N 2.87Å; L427-R559 VanDerWaalsContact CD1-CZ 3.47Å
428	K	62	Low	54.1	Low	167 Å²	167	92.1 Å²	92.1	73%	0.726	48%	0.484	S	S	*	.	G	3₁₀ helix	trans	-58.8	-18.5	174.4	-61.8	-177.3	177.9	-176.9	0	114.6	N426 Y430	N426-K428 PolarHBondContact O-N 3.23Å; K428-Y430 VanDerWaalsContact C-N 3.32Å
429	D	63.4	Low	56.9	Low	39 Å²	39	87.6 Å²	87.6	21%	0.209	47%	0.465	C	S	.	.	G	3₁₀ helix	trans	-75.8	-20.2	175.5	-80.4	-10.2	0	0	0	113.6	N426 L427 T615 T617 R638	N426-D429 VanDerWaalsContact O-CB 3.31Å; N426-D429 WeakPolarHBondContact O-CB 3.06Å; N426-D429 PolarHBondContact O-N 3.19Å; L427-D429 PolarHBondContact O-N 3.13Å; L427-D429 VanDerWaalsContact O-N 3.15Å; D429-T615 HydrophobicContact CB-CG2 4.06Å; D429-T617 VanDerWaalsContact O-CG2 3.31Å; D429-T617 WeakPolarHBondContact O-CG2 3.26Å; D429-R638 IonicContact OD1-CZ 3.09Å; D429-R638 IonicContact OD1-NE 2.76Å; D429-R638 PolarHBondContact OD1-NE 3.41Å; D429-R638 IonicContact OD1-NH2 2.78Å; D429-R638 PolarHBondContact OD1-NH2 3.33Å; D429-R638 IonicContact OD2-CZ 2.68Å; D429-R638 IonicContact OD2-NE 2.92Å; D429-R638 IonicContact OD2-NH2 3.86Å; D429-R638 PolarHBondContact OD2-NH2 3Å
430	Y	62.4	Low	59.6	Low	19 Å²	19	82.3 Å²	82.3	8%	0.075	43%	0.431	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117	-26.8	-177.6	-62	-86.2	0	0	0	113.6	D425 L427 K428 G432 T539 R559 G560 G561 T615	D425-Y430 WeakPolarHBondContact OD1-CE2 3.34Å; L427-Y430 PolarHBondContact O-N 3.15Å; K428-Y430 VanDerWaalsContact C-N 3.32Å; Y430-G432 PolarHBondContact O-N 3.08Å; Y430-T539 HydrophobicContact CD1-CG2 3.74Å; Y430-T539 HydrophobicContact CE1-CG2 4.39Å; Y430-T539 HydrophobicContact CG-CG2 4.41Å; Y430-R559 HydrophobicContact CD2-CG 4.09Å; Y430-R559 HydrophobicContact CE2-CG 4Å; Y430-R559 HydrophobicContact CG-CG 4.45Å; Y430-G560 PolarHBondContact OH-N 2.98Å; Y430-G561 PolarHBondContact OH-N 2.93Å; Y430-T615 HydrophobicContact CD1-CG2 4.09Å; Y430-T615 HydrophobicContact CE1-CG2 3.75Å; Y430-T615 HydrophobicContact CE2-CG2 4.33Å
431	Q	62.8	Low	62.2	Low	59 Å²	59	75.5 Å²	75.5	28%	0.276	40%	0.403	S	S	.	.			trans	-76.4	115.2	176.4	-81.9	-179.5	-64.4	0	0	111	L427 D433 D434 P445	L427-Q431 HydrophobicContact CG-CG 4.22Å; L427-Q431 VanDerWaalsContact CG-OE1 3.24Å; L427-Q431 PolarHBondContact O-N 2.87Å; Q431-D433 PolarHBondContact O-N 3.02Å; Q431-D434 PolarHBondContact NE2-OD2 2.75Å; Q431-P445 WeakPolarHBondContact O-CG 3.43Å
432	G	59.3	Low	64.9	Low	1 Å²	1	71.3 Å²	71.3	1%	0.01	38%	0.379	C	S	.	.			trans	-68.3	78.8	151.5	0	0	0	0	0	109.7	Y430 P445 G462	Y430-G432 PolarHBondContact O-N 3.08Å; G432-P445 WeakPolarHBondContact CA-O 3.39Å; G432-G462 PolarHBondContact O-N 3.23Å
433	D	58.5	Low	67.2	Low	67 Å²	67	65.3 Å²	65.3	36%	0.358	37%	0.365	S	S	.	.			trans	-16.8	118.5	-170.2	-171.1	6.4	0	0	0	114.6	Q431 S435 R444	Q431-D433 PolarHBondContact O-N 3.02Å; D433-S435 PolarHBondContact O-N 3.12Å; D433-S435 PolarHBondContact O-OG 2.89Å; D433-S435 PolarHBondContact OD1-N 3.39Å; D433-S435 PolarHBondContact OD2-OG 2.92Å; D433-R444 IonicContact OD2-CZ 2.65Å; D433-R444 VanDerWaalsContact OD2-CZ 3.24Å; D433-R444 IonicContact OD2-NH1 3.22Å; D433-R444 PolarHBondContact OD2-NH1 3.2Å; D433-R444 IonicContact OD2-NH2 3.57Å; D433-R444 PolarHBondContact OD2-NH2 2.89Å
434	D	60.6	Low	69.4	Low	69 Å²	69	64.3 Å²	64.3	37%	0.369	35%	0.354	S	S	.	.	S	Bend	trans	-61.9	-7.6	-173.6	-56.1	-30.4	0	0	0	113	Q431 H463 P489	Q431-D434 PolarHBondContact NE2-OD2 2.75Å; D434-H463 PolarHBondContact O-CD2 3.34Å; D434-P489 HydrophobicContact CB-CG 4.19Å; D434-P489 VanDerWaalsContact OD1-CG 3.28Å; D434-P489 WeakPolarHBondContact OD1-CG 3.38Å
435	S	61.1	Low	72.1	Confident	36 Å²	36	59.8 Å²	59.8	25%	0.252	33%	0.326	S	S	.	.	S	Bend	trans	-37.3	146.1	161.1	63.6	0	0	0	0	115.8	D433 D437 R444	D433-S435 PolarHBondContact O-N 3.12Å; D433-S435 PolarHBondContact O-OG 2.89Å; D433-S435 PolarHBondContact OD1-N 3.39Å; D433-S435 PolarHBondContact OD2-OG 2.92Å; S435-D437 PolarHBondContact O-N 2.8Å; S435-R444 PolarHBondContact OG-NH1 3.32Å
436	D	74.6	Confident	74.3	Confident	108 Å²	108	56.1 Å²	56.1	58%	0.578	31%	0.307	S	S	*	.			trans	-73.2	37.9	169.8	-66.2	-51	0	0	0	113.5	T438 H463 Y464	D436-T438 PolarHBondContact O-N 3.34Å; D436-H463 IonicContact OD1-CD2 2.9Å; D436-Y464 HydrophobicContact CB-CE2 4.03Å
437	D	82.8	Confident	75.9	Confident	31 Å²	31	52.4 Å²	52.4	17%	0.166	29%	0.287	C	S	.	.			trans	-73.4	97.2	179.5	177.5	19.3	0	0	0	111.3	S435 N439 S442 R444 R461	S435-D437 PolarHBondContact O-N 2.8Å; D437-N439 PolarHBondContact O-N 3.14Å; D437-N439 WeakPolarHBondContact OD1-CB 3.38Å; D437-N439 PolarHBondContact OD1-N 3.08Å; D437-S442 VanDerWaalsContact OD2-CB 3.31Å; D437-S442 WeakPolarHBondContact OD2-CB 3.39Å; D437-S442 PolarHBondContact OD2-OG 2.84Å; D437-R444 WeakPolarHBondContact OD2-CD 3.09Å; D437-R444 IonicContact OD2-NE 3.68Å; D437-R461 PolarHBondContact O-NH2 2.83Å; D437-R461 IonicContact OD1-NH2 2.81Å; D437-R461 IonicContact OD2-CZ 2.75Å; D437-R461 VanDerWaalsContact OD2-CZ 3.22Å; D437-R461 IonicContact OD2-NH1 3.5Å; D437-R461 PolarHBondContact OD2-NH1 3.45Å; D437-R461 IonicContact OD2-NH2 3.14Å; D437-R461 PolarHBondContact OD2-NH2 3.46Å
438	T	89.9	Confident	77.6	Confident	69 Å²	69	48.7 Å²	48.7	42%	0.423	27%	0.268	S	S	.	.			trans	-69.4	-10.8	177.1	41.2	0	0	0	0	114.5	D436 Y464 W466 P477	D436-T438 PolarHBondContact O-N 3.34Å; T438-Y464 HydrophobicContact CG2-CD2 4.16Å; T438-Y464 HydrophobicContact CG2-CE1 4.17Å; T438-Y464 HydrophobicContact CG2-CE2 3.76Å; T438-W466 WeakPolarHBondContact O-CZ2 3.3Å; T438-W466 PolarHBondContact O-NE1 2.88Å; T438-P477 HydrophobicContact CG2-CB 4.23Å; T438-P477 HydrophobicContact CG2-CG 3.83Å
439	N	89.1	Confident	79.2	Confident	82 Å²	82	40.8 Å²	40.8	44%	0.439	23%	0.234	S	C	.	.			trans	-99.2	95.6	-177.1	176.3	22.8	0	0	0	111.9	D437 C441 S442 R461	D437-N439 PolarHBondContact O-N 3.14Å; D437-N439 WeakPolarHBondContact OD1-CB 3.38Å; D437-N439 PolarHBondContact OD1-N 3.08Å; N439-C441 PolarHBondContact O-N 2.82Å; N439-C441 WeakPolarHBondContact OD1-CA 2.95Å; N439-C441 VanDerWaalsContact OD1-CB 3.25Å; N439-C441 WeakPolarHBondContact OD1-CB 3.41Å; N439-C441 PolarHBondContact OD1-N 3.27Å; N439-S442 WeakPolarHBondContact O-CB 3.3Å; N439-S442 PolarHBondContact O-N 3.28Å; N439-S442 VanDerWaalsContact O-N 3.1Å; N439-S442 PolarHBondContact O-OG 3.21Å; N439-S442 VanDerWaalsContact O-OG 3.11Å; N439-R461 VanDerWaalsContact C-NH2 3.29Å; N439-R461 PolarHBondContact O-NH2 2.99Å
440	L	89.1	Confident	80.8	Confident	6 Å²	6	39.2 Å²	39.2	3%	0.031	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-53.7	-27	174.7	-173.3	63	0	0	0	113.4	S442 V446 V459 W466 L468 P474 F668	L440-S442 PolarHBondContact O-N 2.98Å; L440-V446 HydrophobicContact CD1-CG1 3.6Å; L440-V459 HydrophobicContact CD1-CG1 3.84Å; L440-V459 HydrophobicContact CD2-CB 4.26Å; L440-V459 HydrophobicContact CD2-CG1 4.22Å; L440-V459 HydrophobicContact CD2-CG2 4.38Å; L440-W466 HydrophobicContact CB-CD2 3.9Å; L440-W466 HydrophobicContact CB-CE3 4.41Å; L440-W466 HydrophobicContact CB-CG 4.12Å; L440-W466 HydrophobicContact CB-CZ2 4.33Å; L440-W466 HydrophobicContact CD1-CD2 4.27Å; L440-W466 HydrophobicContact CD1-CE3 3.94Å; L440-W466 HydrophobicContact CD1-CZ3 4.19Å; L440-W466 HydrophobicContact CD2-CB 4.2Å; L440-W466 HydrophobicContact CD2-CD2 4.35Å; L440-W466 HydrophobicContact CD2-CG 4.18Å; L440-W466 HydrophobicContact CG-CD2 4.4Å; L440-L468 HydrophobicContact CD2-CD2 4.26Å; L440-P474 HydrophobicContact CD2-CB 3.84Å; L440-P474 HydrophobicContact CD2-CG 4.31Å; L440-F668 HydrophobicContact CD1-CE2 4.42Å; L440-F668 HydrophobicContact CD2-CD1 3.95Å; L440-F668 HydrophobicContact CD2-CD2 4.3Å; L440-F668 HydrophobicContact CD2-CE1 4.24Å; L440-F668 HydrophobicContact CD2-CG 4Å; L440-F668 HydrophobicContact CG-CD2 4.22Å; L440-F668 HydrophobicContact CG-CE2 4.43Å; L440-F668 HydrophobicContact CG-CG 4.38Å
441	C	88.4	Confident	82.4	Confident	44 Å²	44	38.7 Å²	38.7	30%	0.297	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-83	13.1	-178.1	-59.3	0	0	0	0	114.2	N439 G443 C670	N439-C441 PolarHBondContact O-N 2.82Å; N439-C441 WeakPolarHBondContact OD1-CA 2.95Å; N439-C441 VanDerWaalsContact OD1-CB 3.25Å; N439-C441 WeakPolarHBondContact OD1-CB 3.41Å; N439-C441 PolarHBondContact OD1-N 3.27Å; C441-G443 PolarHBondContact O-N 3.07Å; C441-C670 VanDerWaalsContact CA-SG 3.57Å; C441-C670 HydrophobicContact CB-CB 3.65Å; C441-C670 WeakPolarHBondContact CB-SG 3.4Å; C441-C670 VanDerWaalsContact SG-CA 3.55Å; C441-C670 WeakPolarHBondContact SG-CB 3.49Å; C441-C670 CovalentContact SG-SG 2.02Å; C441-C670 PolarHBondContact SG-SG 3.14Å
442	S	86	Confident	83.8	Confident	45 Å²	45	36.5 Å²	36.5	32%	0.315	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-74.2	1.4	176.6	64.4	0	0	0	0	114.6	D437 N439 L440 R444	D437-S442 VanDerWaalsContact OD2-CB 3.31Å; D437-S442 WeakPolarHBondContact OD2-CB 3.39Å; D437-S442 PolarHBondContact OD2-OG 2.84Å; N439-S442 WeakPolarHBondContact O-CB 3.3Å; N439-S442 PolarHBondContact O-N 3.28Å; N439-S442 VanDerWaalsContact O-N 3.1Å; N439-S442 PolarHBondContact O-OG 3.21Å; N439-S442 VanDerWaalsContact O-OG 3.11Å; L440-S442 PolarHBondContact O-N 2.98Å; S442-R444 PolarHBondContact O-N 3.06Å; S442-R444 WeakPolarHBondContact OG-CD 3.3Å; S442-R444 WeakPolarHBondContact OG-CG 3.11Å
443	G	82.8	Confident	85.1	Confident	51 Å²	51	43.2 Å²	43.2	53%	0.526	24%	0.239	S	C	.	.	S	Bend	trans	70.7	8.5	-179	0	0	0	0	0	114.3	C441 S639	C441-G443 PolarHBondContact O-N 3.07Å; G443-S639 WeakPolarHBondContact O-CB 3.32Å
444	R	86.6	Confident	86.3	Confident	98 Å²	98	45.1 Å²	45.1	37%	0.37	25%	0.249	S	C	.	.	P	Polyproline II helix	trans	-77.5	150.6	176.9	-68.7	175.5	171.3	-145.9	-18.8	111.1	D433 S435 D437 S442	D433-R444 IonicContact OD2-CZ 2.65Å; D433-R444 VanDerWaalsContact OD2-CZ 3.24Å; D433-R444 IonicContact OD2-NH1 3.22Å; D433-R444 PolarHBondContact OD2-NH1 3.2Å; D433-R444 IonicContact OD2-NH2 3.57Å; D433-R444 PolarHBondContact OD2-NH2 2.89Å; S435-R444 PolarHBondContact OG-NH1 3.32Å; D437-R444 WeakPolarHBondContact OD2-CD 3.09Å; D437-R444 IonicContact OD2-NE 3.68Å; S442-R444 PolarHBondContact O-N 3.06Å; S442-R444 WeakPolarHBondContact OG-CD 3.3Å; S442-R444 WeakPolarHBondContact OG-CG 3.11Å
445	P	90.1	Very high	87.5	Confident	19 Å²	19	43.7 Å²	43.7	12%	0.123	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-59.8	146.1	172.6	24.2	-32.5	0	0	0	111.6	Q431 G432 R461 T617	Q431-P445 WeakPolarHBondContact O-CG 3.43Å; G432-P445 WeakPolarHBondContact CA-O 3.39Å; P445-R461 WeakPolarHBondContact O-CD 3.44Å; P445-R461 WeakPolarHBondContact O-CG 3.34Å; P445-T617 HydrophobicContact CB-CG2 3.83Å
446	V	92.1	Very high	88.8	Confident	3 Å²	3	44.2 Å²	44.2	2%	0.018	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-93.7	146.7	171	-64.1	0	0	0	0	109.8	L440 G448 V459 R461 T617 A618 F668	L440-V446 HydrophobicContact CD1-CG1 3.6Å; V446-G448 VanDerWaalsContact C-N 3.33Å; V446-V459 HydrophobicContact CB-CG1 3.94Å; V446-V459 HydrophobicContact CG1-CG1 3.56Å; V446-V459 HydrophobicContact CG2-CG1 4.3Å; V446-R461 HydrophobicContact CG1-CB 4.47Å; V446-T617 CarbonylContact O-C 3.49Å; V446-T617 VanDerWaalsContact O-O 3.06Å; V446-A618 HydrophobicContact CG2-CB 3.83Å; V446-F668 HydrophobicContact CG1-CE2 4.14Å; V446-F668 HydrophobicContact CG1-CZ 4.1Å; V446-F668 HydrophobicContact CG2-CZ 4.48Å
447	S	92.7	Very high	89.7	Confident	10 Å²	10	39.3 Å²	39.3	7%	0.07	23%	0.227	C	C	.	.	S	Bend	trans	-81	-16.5	178.5	-45.5	0	0	0	0	112.5	F460 I490 T492	S447-F460 PolarHBondContact N-O 2.86Å; S447-I490 WeakPolarHBondContact CB-O 3.2Å; S447-T492 WeakPolarHBondContact O-CA 3.37Å
448	G	94.8	Very high	90.3	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.6	157	174.9	0	0	0	0	0	113	V446 F460	V446-G448 VanDerWaalsContact C-N 3.33Å; G448-F460 PolarHBondContact N-O 3.42Å; G448-F460 PolarHBondContact O-N 2.81Å
449	I	96.9	Very high	90.6	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	140.8	172.1	177.6	167.1	0	0	0	107.8	M457 V458 V459 A618 A619 V620 F636 F667 F668	I449-M457 HydrophobicContact CD1-CE 3.95Å; I449-M457 HydrophobicContact CG1-CE 4.31Å; I449-V458 CarbonylContact C-O 3.52Å; I449-V458 WeakPolarHBondContact CA-O 3.38Å; I449-V459 HydrophobicContact CD1-CG2 3.89Å; I449-V459 HydrophobicContact CG1-CG2 4.06Å; I449-A618 HydrophobicContact CG2-CB 3.73Å; I449-A619 VanDerWaalsContact O-O 3.09Å; I449-V620 HydrophobicContact CB-CB 4.44Å; I449-V620 HydrophobicContact CD1-CG1 4.24Å; I449-V620 HydrophobicContact CG1-CB 4.1Å; I449-V620 HydrophobicContact CG1-CG1 4.29Å; I449-V620 HydrophobicContact CG1-CG2 4.23Å; I449-V620 HydrophobicContact CG2-CB 3.82Å; I449-V620 HydrophobicContact CG2-CG1 4.05Å; I449-F636 HydrophobicContact CD1-CE2 4.29Å; I449-F636 HydrophobicContact CD1-CZ 4.22Å; I449-F636 HydrophobicContact CG2-CD2 3.93Å; I449-F636 HydrophobicContact CG2-CE2 3.68Å; I449-F667 HydrophobicContact CD1-CE1 3.79Å; I449-F667 HydrophobicContact CD1-CZ 4.36Å; I449-F668 HydrophobicContact CD1-CE1 4.13Å
450	T	97.2	Very high	90.9	Very high	6 Å²	6	30.8 Å²	30.8	4%	0.037	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	159	174.9	-157.9	0	0	0	0	111.7	L452 M457 V458 V493 T495 T503	T450-L452 HydrophobicContact CG2-CD2 4.14Å; T450-M457 WeakPolarHBondContact O-CA 3.28Å; T450-V458 PolarHBondContact N-O 2.79Å; T450-V458 PolarHBondContact O-N 2.65Å; T450-V493 HydrophobicContact CG2-CG1 4.42Å; T450-V493 HydrophobicContact CG2-CG2 3.83Å; T450-T495 WeakPolarHBondContact OG1-CB 3.37Å; T450-T495 PolarHBondContact OG1-N 2.96Å; T450-T495 PolarHBondContact OG1-OG1 3.24Å; T450-T503 HydrophobicContact CG2-CG2 4.23Å
451	T	94.6	Very high	91.2	Very high	9 Å²	9	30.6 Å²	30.6	6%	0.055	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	123.3	166.2	-51.4	0	0	0	0	108.2	G455 T456 M457 T495 P623	T451-G455 WeakPolarHBondContact CG2-O 3.46Å; T451-T456 WeakPolarHBondContact CA-O 3.31Å; T451-M457 HydrophobicContact CG2-CG 4.11Å; T451-T495 WeakPolarHBondContact O-CB 3.31Å; T451-T495 WeakPolarHBondContact O-CG2 3.25Å; T451-T495 PolarHBondContact O-OG1 3.18Å; T451-P623 HydrophobicContact CG2-CG 4.33Å
452	L	92.1	Very high	91.3	Very high	12 Å²	12	28.6 Å²	28.6	6%	0.063	16%	0.164	C	C	.	.			trans	-73.5	167.2	176.5	-61.6	179.6	0	0	0	111.1	T450 N454 G455 T456 V458 W484 T503	T450-L452 HydrophobicContact CG2-CD2 4.14Å; L452-N454 WeakPolarHBondContact CB-OD1 3.36Å; L452-N454 PolarHBondContact O-N 3.15Å; L452-N454 VanDerWaalsContact O-N 3.1Å; L452-G455 PolarHBondContact O-N 3.18Å; L452-T456 PolarHBondContact N-O 2.92Å; L452-V458 HydrophobicContact CD1-CG2 3.74Å; L452-V458 HydrophobicContact CG-CG2 3.95Å; L452-W484 HydrophobicContact CD1-CH2 4.19Å; L452-W484 HydrophobicContact CD2-CH2 4.12Å; L452-T503 HydrophobicContact CD2-CG2 4.12Å; L452-T503 WeakPolarHBondContact CD2-OG1 3.45Å
453	R	87.6	Confident	91.7	Very high	142 Å²	142	29.4 Å²	29.4	54%	0.536	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-29.2	-178	-168.4	-175.7	-170.9	-141.5	-3.1	114.1	G455 C499 Q500 N516	R453-G455 VanDerWaalsContact C-N 3.32Å; R453-C499 PolarHBondContact NE-O 2.91Å; R453-C499 PolarHBondContact NH2-O 3.5Å; R453-Q500 VanDerWaalsContact CD-O 3.25Å; R453-Q500 WeakPolarHBondContact CD-O 3.32Å; R453-Q500 PolarHBondContact NE-O 3.43Å; R453-N516 PolarHBondContact NH1-OD1 2.84Å
454	N	83.6	Confident	92.3	Very high	107 Å²	107	29.8 Å²	29.8	57%	0.572	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.5	9.4	177.6	65.4	-0.4	0	0	0	113.8	L452 T456	L452-N454 WeakPolarHBondContact CB-OD1 3.36Å; L452-N454 PolarHBondContact O-N 3.15Å; L452-N454 VanDerWaalsContact O-N 3.1Å; N454-T456 VanDerWaalsContact C-N 3.29Å; N454-T456 PolarHBondContact ND2-OG1 2.87Å; N454-T456 PolarHBondContact O-N 3.48Å; N454-T456 WeakPolarHBondContact OD1-CB 3.5Å; N454-T456 PolarHBondContact OD1-N 2.73Å; N454-T456 PolarHBondContact OD1-OG1 3.44Å; N454-T456 VanDerWaalsContact OD1-OG1 3.06Å
455	G	84.7	Confident	92.8	Very high	40 Å²	40	25.4 Å²	25.4	41%	0.412	13%	0.132	S	C	.	.	S	Bend	trans	81.9	-6.5	-177	0	0	0	0	0	115.3	T451 L452 R453 M457	T451-G455 WeakPolarHBondContact CG2-O 3.46Å; L452-G455 PolarHBondContact O-N 3.18Å; R453-G455 VanDerWaalsContact C-N 3.32Å; G455-M457 PolarHBondContact O-N 2.83Å
456	T	88.7	Confident	93.1	Very high	46 Å²	46	24.7 Å²	24.7	28%	0.282	13%	0.127	S	C	.	.			trans	-66	125.7	178.6	-62	0	0	0	0	111	T451 L452 N454 V458 V467	T451-T456 WeakPolarHBondContact CA-O 3.31Å; L452-T456 PolarHBondContact N-O 2.92Å; N454-T456 VanDerWaalsContact C-N 3.29Å; N454-T456 PolarHBondContact ND2-OG1 2.87Å; N454-T456 PolarHBondContact O-N 3.48Å; N454-T456 WeakPolarHBondContact OD1-CB 3.5Å; N454-T456 PolarHBondContact OD1-N 2.73Å; N454-T456 PolarHBondContact OD1-OG1 3.44Å; N454-T456 VanDerWaalsContact OD1-OG1 3.06Å; T456-V458 HydrophobicContact CG2-CG2 4.14Å; T456-V467 HydrophobicContact CG2-CG1 3.54Å
457	M	93.8	Very high	93.2	Very high	5 Å²	5	26.5 Å²	26.5	3%	0.025	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	132.4	175.4	-65.7	-165.9	72.9	0	0	111	F170 I449 T450 T451 G455 L468 L472 V620 V622 F667	F170-M457 HydrophobicContact CE1-SD 3.75Å; F170-M457 HydrophobicContact CZ-SD 3.71Å; I449-M457 HydrophobicContact CD1-CE 3.95Å; I449-M457 HydrophobicContact CG1-CE 4.31Å; T450-M457 WeakPolarHBondContact O-CA 3.28Å; T451-M457 HydrophobicContact CG2-CG 4.11Å; G455-M457 PolarHBondContact O-N 2.83Å; M457-L468 HydrophobicContact CB-CB 4.12Å; M457-L468 HydrophobicContact CB-CD1 4.2Å; M457-L468 HydrophobicContact CB-CG 4.36Å; M457-L468 PolarHBondContact O-N 2.83Å; M457-L472 HydrophobicContact SD-CD2 3.93Å; M457-V620 HydrophobicContact CE-CG1 4.27Å; M457-V620 HydrophobicContact CE-CG2 3.88Å; M457-V622 HydrophobicContact CE-CG2 3.72Å; M457-V622 HydrophobicContact SD-CG1 4.46Å; M457-V622 HydrophobicContact SD-CG2 4.17Å; M457-F667 HydrophobicContact CE-CZ 4.23Å
458	V	96.1	Very high	93.1	Very high	2 Å²	2	26.4 Å²	26.4	1%	0.012	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	131.6	-176.4	-167.9	0	0	0	0	110.1	I449 T450 L452 T456 F460 F465 W466 W484	I449-V458 CarbonylContact C-O 3.52Å; I449-V458 WeakPolarHBondContact CA-O 3.38Å; T450-V458 PolarHBondContact N-O 2.79Å; T450-V458 PolarHBondContact O-N 2.65Å; L452-V458 HydrophobicContact CD1-CG2 3.74Å; L452-V458 HydrophobicContact CG-CG2 3.95Å; T456-V458 HydrophobicContact CG2-CG2 4.14Å; V458-F460 HydrophobicContact CB-CE2 3.9Å; V458-F460 HydrophobicContact CB-CZ 4.43Å; V458-F460 HydrophobicContact CG1-CD2 4.16Å; V458-F460 HydrophobicContact CG1-CE2 3.45Å; V458-F460 VanDerWaalsContact CG1-CE2 3.45Å; V458-F460 HydrophobicContact CG1-CZ 3.67Å; V458-F465 HydrophobicContact CG1-CB 4.33Å; V458-F465 HydrophobicContact CG1-CD2 3.57Å; V458-F465 HydrophobicContact CG1-CE2 4.3Å; V458-F465 HydrophobicContact CG1-CG 4.32Å; V458-W466 WeakPolarHBondContact CA-O 3.2Å; V458-W484 HydrophobicContact CG1-CZ2 4.33Å
459	V	96.4	Very high	92.6	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	136.1	-175.7	-168	0	0	0	0	109.4	L440 V446 I449 F465 W466 L468 F668	L440-V459 HydrophobicContact CD1-CG1 3.84Å; L440-V459 HydrophobicContact CD2-CB 4.26Å; L440-V459 HydrophobicContact CD2-CG1 4.22Å; L440-V459 HydrophobicContact CD2-CG2 4.38Å; V446-V459 HydrophobicContact CB-CG1 3.94Å; V446-V459 HydrophobicContact CG1-CG1 3.56Å; V446-V459 HydrophobicContact CG2-CG1 4.3Å; I449-V459 HydrophobicContact CD1-CG2 3.89Å; I449-V459 HydrophobicContact CG1-CG2 4.06Å; V459-F465 CarbonylContact O-C 3.6Å; V459-F465 WeakPolarHBondContact O-CA 3.33Å; V459-F465 VanDerWaalsContact O-CB 3.23Å; V459-F465 WeakPolarHBondContact O-CB 2.99Å; V459-W466 PolarHBondContact N-O 3.27Å; V459-W466 PolarHBondContact O-N 2.75Å; V459-L468 HydrophobicContact CG2-CD1 3.77Å; V459-L468 HydrophobicContact CG2-CD2 3.91Å; V459-L468 HydrophobicContact CG2-CG 3.77Å; V459-F668 HydrophobicContact CG1-CE1 4.06Å; V459-F668 HydrophobicContact CG1-CZ 3.92Å; V459-F668 HydrophobicContact CG2-CD1 4.43Å; V459-F668 HydrophobicContact CG2-CE1 3.7Å; V459-F668 HydrophobicContact CG2-CZ 4.4Å
460	F	95.6	Very high	91.9	Very high	1 Å²	1	38.3 Å²	38.3	0%	0.004	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	135.4	-173	-63.6	-104	0	0	0	111	S447 G448 V458 F465 I480 W484 I490 V493 I505	S447-F460 PolarHBondContact N-O 2.86Å; G448-F460 PolarHBondContact N-O 3.42Å; G448-F460 PolarHBondContact O-N 2.81Å; V458-F460 HydrophobicContact CB-CE2 3.9Å; V458-F460 HydrophobicContact CB-CZ 4.43Å; V458-F460 HydrophobicContact CG1-CD2 4.16Å; V458-F460 HydrophobicContact CG1-CE2 3.45Å; V458-F460 VanDerWaalsContact CG1-CE2 3.45Å; V458-F460 HydrophobicContact CG1-CZ 3.67Å; F460-F465 HydrophobicContact CD1-CB 3.69Å; F460-F465 HydrophobicContact CD1-CG 4.49Å; F460-F465 HydrophobicContact CE1-CB 3.93Å; F460-F465 HydrophobicContact CE1-CG 4.29Å; F460-F465 HydrophobicContact CG-CB 4.07Å; F460-I480 HydrophobicContact CB-CD1 4.48Å; F460-I480 HydrophobicContact CD1-CD1 3.91Å; F460-I480 HydrophobicContact CD1-CG1 3.93Å; F460-I480 HydrophobicContact CD1-CG2 4.48Å; F460-I480 HydrophobicContact CE1-CG1 4.47Å; F460-W484 HydrophobicContact CE1-CD2 4.5Å; F460-W484 AromaticContact CE1-NE1 3.74Å; F460-W484 HydrophobicContact CZ-CD2 4.48Å; F460-W484 AromaticContact CZ-CE2 3.85Å; F460-W484 AromaticContact CZ-CZ2 3.95Å; F460-W484 HydrophobicContact CZ-CZ2 3.95Å; F460-W484 AromaticContact CZ-NE1 3.95Å; F460-I490 HydrophobicContact CB-CD1 3.58Å; F460-I490 HydrophobicContact CB-CG1 3.92Å; F460-I490 HydrophobicContact CD1-CD1 3.63Å; F460-I490 HydrophobicContact CD1-CG1 4.32Å; F460-I490 HydrophobicContact CD2-CD1 4.26Å; F460-I490 HydrophobicContact CE1-CD1 4.35Å; F460-I490 HydrophobicContact CG-CD1 3.58Å; F460-I490 HydrophobicContact CG-CG1 4.36Å; F460-V493 HydrophobicContact CD2-CG1 3.65Å; F460-V493 HydrophobicContact CE2-CB 4.47Å; F460-V493 HydrophobicContact CE2-CG1 3.86Å; F460-V493 HydrophobicContact CE2-CG2 4.37Å; F460-V493 HydrophobicContact CG-CG1 4.46Å; F460-I505 HydrophobicContact CE1-CD1 4.42Å; F460-I505 HydrophobicContact CZ-CD1 4.38Å
461	R	93.7	Very high	91.2	Very high	3 Å²	3	42.2 Å²	42.2	1%	0.011	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.9	137.8	179.1	-172.8	179.4	62.8	102.9	-7.6	110.6	D437 N439 P445 V446 H463 Y464 W466	D437-R461 PolarHBondContact O-NH2 2.83Å; D437-R461 IonicContact OD1-NH2 2.81Å; D437-R461 IonicContact OD2-CZ 2.75Å; D437-R461 VanDerWaalsContact OD2-CZ 3.22Å; D437-R461 IonicContact OD2-NH1 3.5Å; D437-R461 PolarHBondContact OD2-NH1 3.45Å; D437-R461 IonicContact OD2-NH2 3.14Å; D437-R461 PolarHBondContact OD2-NH2 3.46Å; N439-R461 VanDerWaalsContact C-NH2 3.29Å; N439-R461 PolarHBondContact O-NH2 2.99Å; P445-R461 WeakPolarHBondContact O-CD 3.44Å; P445-R461 WeakPolarHBondContact O-CG 3.34Å; V446-R461 HydrophobicContact CG1-CB 4.47Å; R461-H463 PolarHBondContact O-N 3.44Å; R461-Y464 PolarHBondContact N-O 3.22Å; R461-Y464 PolarHBondContact O-N 2.92Å; R461-Y464 VanDerWaalsContact O-N 3.11Å; R461-W466 HydrophobicContact CB-CH2 4.1Å; R461-W466 HydrophobicContact CB-CZ3 3.75Å
462	G	92.4	Very high	90.8	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.01	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.8	-138.4	-172.5	0	0	0	0	0	111.3	G432 Y464 I480 P489	G432-G462 PolarHBondContact O-N 3.23Å; G462-Y464 VanDerWaalsContact C-N 3.28Å; G462-Y464 PolarHBondContact O-N 2.72Å; G462-I480 WeakPolarHBondContact O-CD1 3.31Å; G462-P489 VanDerWaalsContact O-CA 3.26Å; G462-P489 WeakPolarHBondContact O-CA 3.45Å; G462-P489 VanDerWaalsContact O-CB 3.26Å; G462-P489 WeakPolarHBondContact O-CB 3.36Å
463	H	93.5	Very high	90.6	Very high	62 Å²	62	43.7 Å²	43.7	29%	0.287	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-1.4	177.3	-68.3	-70.4	0	0	0	115.1	D434 D436 R461 I480 S488	D434-H463 PolarHBondContact O-CD2 3.34Å; D436-H463 IonicContact OD1-CD2 2.9Å; R461-H463 PolarHBondContact O-N 3.44Å; H463-I480 WeakPolarHBondContact O-CG1 3Å; H463-I480 PolarHBondContact O-N 2.81Å; H463-S488 PolarHBondContact ND1-OG 2.91Å
464	Y	95.5	Very high	90.8	Very high	59 Å²	59	38.1 Å²	38.1	23%	0.231	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	156.5	-168.1	-62.4	-75.9	0	0	0	114.4	D436 T438 R461 G462 W466 P477 K478 I480	D436-Y464 HydrophobicContact CB-CE2 4.03Å; T438-Y464 HydrophobicContact CG2-CD2 4.16Å; T438-Y464 HydrophobicContact CG2-CE1 4.17Å; T438-Y464 HydrophobicContact CG2-CE2 3.76Å; R461-Y464 PolarHBondContact N-O 3.22Å; R461-Y464 PolarHBondContact O-N 2.92Å; R461-Y464 VanDerWaalsContact O-N 3.11Å; G462-Y464 VanDerWaalsContact C-N 3.28Å; G462-Y464 PolarHBondContact O-N 2.72Å; Y464-W466 WeakPolarHBondContact O-CZ3 3.33Å; Y464-P477 HydrophobicContact CD1-CB 3.98Å; Y464-P477 HydrophobicContact CG-CB 4.22Å; Y464-K478 CarbonylContact C-O 3.56Å; Y464-K478 WeakPolarHBondContact CA-O 3.33Å; Y464-I480 WeakPolarHBondContact O-CD1 3.48Å
465	F	96	Very high	91.2	Very high	7 Å²	7	35.1 Å²	35.1	3%	0.031	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	156.4	165.5	75.3	-83.6	0	0	0	111.4	V458 V459 F460 V467 K478 I480 V483 W484	V458-F465 HydrophobicContact CG1-CB 4.33Å; V458-F465 HydrophobicContact CG1-CD2 3.57Å; V458-F465 HydrophobicContact CG1-CE2 4.3Å; V458-F465 HydrophobicContact CG1-CG 4.32Å; V459-F465 CarbonylContact O-C 3.6Å; V459-F465 WeakPolarHBondContact O-CA 3.33Å; V459-F465 VanDerWaalsContact O-CB 3.23Å; V459-F465 WeakPolarHBondContact O-CB 2.99Å; F460-F465 HydrophobicContact CD1-CB 3.69Å; F460-F465 HydrophobicContact CD1-CG 4.49Å; F460-F465 HydrophobicContact CE1-CB 3.93Å; F460-F465 HydrophobicContact CE1-CG 4.29Å; F460-F465 HydrophobicContact CG-CB 4.07Å; F465-V467 HydrophobicContact CE2-CG2 4.31Å; F465-K478 HydrophobicContact CD1-CB 3.91Å; F465-K478 WeakPolarHBondContact CD1-O 3.28Å; F465-K478 HydrophobicContact CD2-CB 4.42Å; F465-K478 HydrophobicContact CE1-CB 3.4Å; F465-K478 VanDerWaalsContact CE1-CB 3.4Å; F465-K478 HydrophobicContact CE2-CB 4.01Å; F465-K478 HydrophobicContact CE2-CD 4Å; F465-K478 HydrophobicContact CG-CB 4.4Å; F465-K478 HydrophobicContact CZ-CB 3.47Å; F465-K478 VanDerWaalsContact CZ-CB 3.47Å; F465-K478 HydrophobicContact CZ-CD 3.83Å; F465-K478 HydrophobicContact CZ-CG 4.28Å; F465-K478 PolarHBondContact N-O 3.39Å; F465-K478 PolarHBondContact O-N 3.44Å; F465-I480 HydrophobicContact CB-CG1 4.13Å; F465-I480 HydrophobicContact CD1-CB 4.48Å; F465-I480 HydrophobicContact CD1-CG1 3.98Å; F465-V483 HydrophobicContact CE1-CB 3.77Å; F465-V483 HydrophobicContact CE1-CG1 4.36Å; F465-V483 HydrophobicContact CE1-CG2 3.83Å; F465-V483 HydrophobicContact CZ-CB 3.84Å; F465-V483 HydrophobicContact CZ-CG1 3.92Å; F465-V483 HydrophobicContact CZ-CG2 3.9Å; F465-W484 AromaticContact CD1-CD1 3.81Å; F465-W484 AromaticContact CD1-NE1 3.57Å; F465-W484 AromaticContact CD2-NE1 3.84Å; F465-W484 AromaticContact CE1-CD1 3.52Å; F465-W484 AromaticContact CE1-NE1 3.32Å; F465-W484 VanDerWaalsContact CE1-NE1 3.32Å; F465-W484 AromaticContact CE2-NE1 3.59Å; F465-W484 AromaticContact CG-NE1 3.82Å; F465-W484 AromaticContact CZ-CD1 3.93Å; F465-W484 AromaticContact CZ-NE1 3.32Å; F465-W484 VanDerWaalsContact CZ-NE1 3.32Å
466	W	96.3	Very high	91.6	Very high	4 Å²	4	37.7 Å²	37.7	2%	0.015	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	139.5	177.7	-56.5	-105.9	0	0	0	107.9	T438 L440 V458 V459 R461 Y464 P474 P477	T438-W466 WeakPolarHBondContact O-CZ2 3.3Å; T438-W466 PolarHBondContact O-NE1 2.88Å; L440-W466 HydrophobicContact CB-CD2 3.9Å; L440-W466 HydrophobicContact CB-CE3 4.41Å; L440-W466 HydrophobicContact CB-CG 4.12Å; L440-W466 HydrophobicContact CB-CZ2 4.33Å; L440-W466 HydrophobicContact CD1-CD2 4.27Å; L440-W466 HydrophobicContact CD1-CE3 3.94Å; L440-W466 HydrophobicContact CD1-CZ3 4.19Å; L440-W466 HydrophobicContact CD2-CB 4.2Å; L440-W466 HydrophobicContact CD2-CD2 4.35Å; L440-W466 HydrophobicContact CD2-CG 4.18Å; L440-W466 HydrophobicContact CG-CD2 4.4Å; V458-W466 WeakPolarHBondContact CA-O 3.2Å; V459-W466 PolarHBondContact N-O 3.27Å; V459-W466 PolarHBondContact O-N 2.75Å; R461-W466 HydrophobicContact CB-CH2 4.1Å; R461-W466 HydrophobicContact CB-CZ3 3.75Å; Y464-W466 WeakPolarHBondContact O-CZ3 3.33Å; W466-P474 HydrophobicContact CB-CB 4.05Å; W466-P474 HydrophobicContact CG-CB 4.31Å; W466-P477 HydrophobicContact CZ2-CB 4.3Å
467	V	95	Very high	91.9	Very high	40 Å²	40	37.9 Å²	37.9	24%	0.242	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	134.8	166.4	176.5	0	0	0	0	107.2	T456 F465 S475	T456-V467 HydrophobicContact CG2-CG1 3.54Å; F465-V467 HydrophobicContact CE2-CG2 4.31Å; V467-S475 PolarHBondContact N-OG 2.9Å; V467-S475 WeakPolarHBondContact O-CB 3.15Å; V467-S475 PolarHBondContact O-N 3.28Å; V467-S475 PolarHBondContact O-OG 3.49Å
468	L	90.9	Very high	91.9	Very high	8 Å²	8	42.3 Å²	42.3	4%	0.042	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	138.3	172.4	-54	-176	0	0	0	109.7	L440 M457 V459 L472 V473 P474 F667 F668	L440-L468 HydrophobicContact CD2-CD2 4.26Å; M457-L468 HydrophobicContact CB-CB 4.12Å; M457-L468 HydrophobicContact CB-CD1 4.2Å; M457-L468 HydrophobicContact CB-CG 4.36Å; M457-L468 PolarHBondContact O-N 2.83Å; V459-L468 HydrophobicContact CG2-CD1 3.77Å; V459-L468 HydrophobicContact CG2-CD2 3.91Å; V459-L468 HydrophobicContact CG2-CG 3.77Å; L468-L472 HydrophobicContact CB-CD2 4.29Å; L468-L472 HydrophobicContact CD1-CB 4.43Å; L468-L472 HydrophobicContact CD1-CD2 3.92Å; L468-V473 WeakPolarHBondContact CA-O 3.48Å; L468-P474 HydrophobicContact CD2-CB 3.97Å; L468-F667 HydrophobicContact CD1-CE1 4.4Å; L468-F668 HydrophobicContact CD1-CD1 4.01Å; L468-F668 HydrophobicContact CD1-CE1 4.17Å; L468-F668 HydrophobicContact CD2-CD1 4.14Å
469	D	85.3	Confident	91.9	Very high	71 Å²	71	43.4 Å²	43.4	38%	0.38	23%	0.231	S	C	.	.			trans	-77	-175.3	171.2	89.1	-35.6	0	0	0	111.8	N471 L472 V473	D469-N471 VanDerWaalsContact CG-N 3.29Å; D469-N471 PolarHBondContact O-N 3.11Å; D469-N471 VanDerWaalsContact OD1-C 3.31Å; D469-N471 VanDerWaalsContact OD1-CA 3.3Å; D469-N471 WeakPolarHBondContact OD1-CA 2.87Å; D469-N471 WeakPolarHBondContact OD1-CB 3.22Å; D469-N471 PolarHBondContact OD1-N 2.91Å; D469-N471 PolarHBondContact OD2-N 2.93Å; D469-N471 PolarHBondContact OD2-ND2 2.89Å; D469-L472 PolarHBondContact O-N 2.89Å; D469-L472 VanDerWaalsContact O-N 3.09Å; D469-L472 PolarHBondContact OD1-N 2.69Å; D469-L472 VanDerWaalsContact OD1-N 3.07Å; D469-V473 PolarHBondContact N-O 3.11Å; D469-V473 WeakPolarHBondContact OD1-CA 3.3Å; D469-V473 WeakPolarHBondContact OD1-CB 3.17Å; D469-V473 PolarHBondContact OD1-N 3.46Å
470	R	81.2	Confident	91.9	Very high	180 Å²	180	43.4 Å²	43.4	68%	0.679	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-27.9	175.7	-63.8	-168.1	-179.9	-148.1	2.2	112.7	I169	I169-R470 HydrophobicContact CD1-CG 4.03Å; I169-R470 HydrophobicContact CG2-CB 3.83Å; I169-R470 HydrophobicContact CG2-CG 4.42Å; I169-R470 WeakPolarHBondContact CG2-O 3.48Å
471	N	81.8	Confident	91.9	Very high	88 Å²	88	46.7 Å²	46.7	47%	0.471	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	5.4	-179.6	-55.2	-73.9	0	0	0	113.2	D469 V473 R669	D469-N471 VanDerWaalsContact CG-N 3.29Å; D469-N471 PolarHBondContact O-N 3.11Å; D469-N471 VanDerWaalsContact OD1-C 3.31Å; D469-N471 VanDerWaalsContact OD1-CA 3.3Å; D469-N471 WeakPolarHBondContact OD1-CA 2.87Å; D469-N471 WeakPolarHBondContact OD1-CB 3.22Å; D469-N471 PolarHBondContact OD1-N 2.91Å; D469-N471 PolarHBondContact OD2-N 2.93Å; D469-N471 PolarHBondContact OD2-ND2 2.89Å; N471-V473 HydrophobicContact CB-CG2 3.94Å; N471-V473 PolarHBondContact O-N 2.78Å; N471-R669 VanDerWaalsContact O-CB 3.29Å; N471-R669 WeakPolarHBondContact O-CB 3.36Å; N471-R669 WeakPolarHBondContact O-CD 3.21Å; N471-R669 WeakPolarHBondContact O-CG 3.19Å
472	L	86.3	Confident	91.9	Very high	2 Å²	2	51 Å²	51	1%	0.01	29%	0.288	C	S	.	.			trans	59.8	23	-168.9	-52.4	-173.6	0	0	0	115.1	F170 I173 M457 L468 D469 F667 R669	F170-L472 HydrophobicContact CE1-CD2 4.12Å; I173-L472 HydrophobicContact CD1-CD1 3.53Å; I173-L472 HydrophobicContact CD1-CG 3.73Å; I173-L472 HydrophobicContact CG1-CD1 3.76Å; I173-L472 HydrophobicContact CG1-CG 4.42Å; I173-L472 HydrophobicContact CG2-CD1 4.17Å; M457-L472 HydrophobicContact SD-CD2 3.93Å; L468-L472 HydrophobicContact CB-CD2 4.29Å; L468-L472 HydrophobicContact CD1-CB 4.43Å; L468-L472 HydrophobicContact CD1-CD2 3.92Å; D469-L472 PolarHBondContact O-N 2.89Å; D469-L472 VanDerWaalsContact O-N 3.09Å; D469-L472 PolarHBondContact OD1-N 2.69Å; D469-L472 VanDerWaalsContact OD1-N 3.07Å; L472-F667 HydrophobicContact CD1-CD1 4.4Å; L472-F667 HydrophobicContact CD1-CE1 4Å; L472-F667 HydrophobicContact CD1-CE2 4.3Å; L472-F667 HydrophobicContact CD1-CZ 3.94Å; L472-F667 WeakPolarHBondContact CD1-O 3.47Å; L472-R669 HydrophobicContact CB-CG 4.44Å; L472-R669 PolarHBondContact O-N 3.41Å
473	V	88.6	Confident	92	Very high	50 Å²	50	55.4 Å²	55.4	30%	0.303	31%	0.314	S	S	.	.			trans	-77.2	128.6	168.7	-176.4	0	0	0	0	108.2	L468 D469 N471 R669	L468-V473 WeakPolarHBondContact CA-O 3.48Å; D469-V473 PolarHBondContact N-O 3.11Å; D469-V473 WeakPolarHBondContact OD1-CA 3.3Å; D469-V473 WeakPolarHBondContact OD1-CB 3.17Å; D469-V473 PolarHBondContact OD1-N 3.46Å; N471-V473 HydrophobicContact CB-CG2 3.94Å; N471-V473 PolarHBondContact O-N 2.78Å; V473-R669 HydrophobicContact CG2-CB 4.08Å; V473-R669 WeakPolarHBondContact CG2-O 3.19Å
474	P	91.9	Very high	92.1	Very high	24 Å²	24	53.5 Å²	53.5	16%	0.156	31%	0.305	C	S	.	.	B	Isolated β-bridge	trans	-74.8	140.5	177.6	28.7	-33	0	0	0	112.6	L440 W466 L468	L440-P474 HydrophobicContact CD2-CB 3.84Å; L440-P474 HydrophobicContact CD2-CG 4.31Å; W466-P474 HydrophobicContact CB-CB 4.05Å; W466-P474 HydrophobicContact CG-CB 4.31Å; L468-P474 HydrophobicContact CD2-CB 3.97Å
475	S	91.8	Very high	92.1	Very high	44 Å²	44	53.1 Å²	53.1	31%	0.308	32%	0.319	S	S	.	.			trans	-62.9	176.6	168.1	71.7	0	0	0	0	112.3	V467	V467-S475 PolarHBondContact N-OG 2.9Å; V467-S475 WeakPolarHBondContact O-CB 3.15Å; V467-S475 PolarHBondContact O-N 3.28Å; V467-S475 PolarHBondContact O-OG 3.49Å
476	S	91.9	Very high	92.1	Very high	95 Å²	95	52.8 Å²	52.8	66%	0.664	32%	0.317	S	S	*	.	S	Bend	trans	-53.9	146.7	158.5	-55.7	0	0	0	0	111.1
477	P	95.1	Very high	92.1	Very high	49 Å²	49	55.5 Å²	55.5	32%	0.318	34%	0.335	S	S	.	.			trans	-64.1	145.8	176.5	29.1	-37.9	0	0	0	111.3	T438 Y464 W466	T438-P477 HydrophobicContact CG2-CB 4.23Å; T438-P477 HydrophobicContact CG2-CG 3.83Å; Y464-P477 HydrophobicContact CD1-CB 3.98Å; Y464-P477 HydrophobicContact CG-CB 4.22Å; W466-P477 HydrophobicContact CZ2-CB 4.3Å
478	K	95.3	Very high	92	Very high	98 Å²	98	54.9 Å²	54.9	43%	0.426	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	138.7	176.1	-64.8	179.7	-178.1	-178.8	0	109.6	Y464 F465 I480	Y464-K478 CarbonylContact C-O 3.56Å; Y464-K478 WeakPolarHBondContact CA-O 3.33Å; F465-K478 HydrophobicContact CD1-CB 3.91Å; F465-K478 WeakPolarHBondContact CD1-O 3.28Å; F465-K478 HydrophobicContact CD2-CB 4.42Å; F465-K478 HydrophobicContact CE1-CB 3.4Å; F465-K478 VanDerWaalsContact CE1-CB 3.4Å; F465-K478 HydrophobicContact CE2-CB 4.01Å; F465-K478 HydrophobicContact CE2-CD 4Å; F465-K478 HydrophobicContact CG-CB 4.4Å; F465-K478 HydrophobicContact CZ-CB 3.47Å; F465-K478 VanDerWaalsContact CZ-CB 3.47Å; F465-K478 HydrophobicContact CZ-CD 3.83Å; F465-K478 HydrophobicContact CZ-CG 4.28Å; F465-K478 PolarHBondContact N-O 3.39Å; F465-K478 PolarHBondContact O-N 3.44Å; K478-I480 PolarHBondContact O-N 2.79Å
479	G	95.8	Very high	92.2	Very high	26 Å²	26	55.4 Å²	55.4	27%	0.268	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	124.2	-179.5	0	0	0	0	0	111.6	T481 A482 V483	G479-T481 PolarHBondContact O-N 3.33Å; G479-A482 PolarHBondContact O-N 3.03Å; G479-V483 PolarHBondContact O-N 2.68Å
480	I	95.6	Very high	92.6	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-58.6	-51.9	-175.4	-63.6	167.8	0	0	0	110.7	F460 G462 H463 Y464 F465 K478 A482 V483 W484 V486 I490	F460-I480 HydrophobicContact CB-CD1 4.48Å; F460-I480 HydrophobicContact CD1-CD1 3.91Å; F460-I480 HydrophobicContact CD1-CG1 3.93Å; F460-I480 HydrophobicContact CD1-CG2 4.48Å; F460-I480 HydrophobicContact CE1-CG1 4.47Å; G462-I480 WeakPolarHBondContact O-CD1 3.31Å; H463-I480 WeakPolarHBondContact O-CG1 3Å; H463-I480 PolarHBondContact O-N 2.81Å; Y464-I480 WeakPolarHBondContact O-CD1 3.48Å; F465-I480 HydrophobicContact CB-CG1 4.13Å; F465-I480 HydrophobicContact CD1-CB 4.48Å; F465-I480 HydrophobicContact CD1-CG1 3.98Å; K478-I480 PolarHBondContact O-N 2.79Å; I480-A482 VanDerWaalsContact C-N 3.27Å; I480-A482 PolarHBondContact O-N 3.22Å; I480-V483 PolarHBondContact O-N 2.93Å; I480-W484 HydrophobicContact CG2-CB 4.49Å; I480-W484 WeakPolarHBondContact O-CB 3.49Å; I480-W484 PolarHBondContact O-N 2.9Å; I480-V486 HydrophobicContact CG2-CB 4.5Å; I480-I490 HydrophobicContact CD1-CG2 4.37Å; I480-I490 HydrophobicContact CG2-CG2 4.04Å
481	T	95.4	Very high	93.3	Very high	69 Å²	69	44.8 Å²	44.8	42%	0.423	29%	0.293	S	S	.	.	H	α-helix	trans	-67.8	-27.8	-174.9	-52.9	0	0	0	0	112.6	G479 G485 V486 S488	G479-T481 PolarHBondContact O-N 3.33Å; T481-G485 WeakPolarHBondContact O-CA 3.39Å; T481-G485 PolarHBondContact O-N 2.78Å; T481-V486 VanDerWaalsContact CA-O 3.26Å; T481-V486 WeakPolarHBondContact CA-O 3.49Å; T481-V486 WeakPolarHBondContact CB-O 3.35Å; T481-V486 PolarHBondContact OG1-O 3.37Å; T481-S488 WeakPolarHBondContact OG1-CB 3.36Å; T481-S488 PolarHBondContact OG1-N 2.99Å; T481-S488 PolarHBondContact OG1-OG 2.92Å
482	A	95.1	Very high	94.1	Very high	94 Å²	94	40.6 Å²	40.6	78%	0.777	27%	0.271	S	S	*	.	H	α-helix	trans	-74.1	-33.1	178	0	0	0	0	0	113.5	G479 I480	G479-A482 PolarHBondContact O-N 3.03Å; I480-A482 VanDerWaalsContact C-N 3.27Å; I480-A482 PolarHBondContact O-N 3.22Å
483	V	94.7	Very high	94.6	Very high	93 Å²	93	40.5 Å²	40.5	56%	0.564	27%	0.27	S	S	*	.	H	α-helix	trans	-99.3	-44.1	-178.2	-175.9	0	0	0	0	112.4	F465 G479 I480	F465-V483 HydrophobicContact CE1-CB 3.77Å; F465-V483 HydrophobicContact CE1-CG1 4.36Å; F465-V483 HydrophobicContact CE1-CG2 3.83Å; F465-V483 HydrophobicContact CZ-CB 3.84Å; F465-V483 HydrophobicContact CZ-CG1 3.92Å; F465-V483 HydrophobicContact CZ-CG2 3.9Å; G479-V483 PolarHBondContact O-N 2.68Å; I480-V483 PolarHBondContact O-N 2.93Å
484	W	94.7	Very high	95.1	Very high	23 Å²	23	38.2 Å²	38.2	9%	0.087	26%	0.256	C	S	.	.	H	α-helix	trans	-94	-11.9	-173.8	-61.7	88.1	0	0	0	113.6	L452 V458 F460 F465 I480 V486 I505 F514	L452-W484 HydrophobicContact CD1-CH2 4.19Å; L452-W484 HydrophobicContact CD2-CH2 4.12Å; V458-W484 HydrophobicContact CG1-CZ2 4.33Å; F460-W484 HydrophobicContact CE1-CD2 4.5Å; F460-W484 AromaticContact CE1-NE1 3.74Å; F460-W484 HydrophobicContact CZ-CD2 4.48Å; F460-W484 AromaticContact CZ-CE2 3.85Å; F460-W484 AromaticContact CZ-CZ2 3.95Å; F460-W484 HydrophobicContact CZ-CZ2 3.95Å; F460-W484 AromaticContact CZ-NE1 3.95Å; F465-W484 AromaticContact CD1-CD1 3.81Å; F465-W484 AromaticContact CD1-NE1 3.57Å; F465-W484 AromaticContact CD2-NE1 3.84Å; F465-W484 AromaticContact CE1-CD1 3.52Å; F465-W484 AromaticContact CE1-NE1 3.32Å; F465-W484 VanDerWaalsContact CE1-NE1 3.32Å; F465-W484 AromaticContact CE2-NE1 3.59Å; F465-W484 AromaticContact CG-NE1 3.82Å; F465-W484 AromaticContact CZ-CD1 3.93Å; F465-W484 AromaticContact CZ-NE1 3.32Å; F465-W484 VanDerWaalsContact CZ-NE1 3.32Å; I480-W484 HydrophobicContact CG2-CB 4.49Å; I480-W484 WeakPolarHBondContact O-CB 3.49Å; I480-W484 PolarHBondContact O-N 2.9Å; W484-V486 HydrophobicContact CB-CB 4.5Å; W484-V486 HydrophobicContact CB-CG2 4.04Å; W484-V486 PolarHBondContact O-N 2.91Å; W484-V486 VanDerWaalsContact O-N 3.12Å; W484-I505 HydrophobicContact CD2-CD1 4.08Å; W484-I505 HydrophobicContact CE3-CD1 3.81Å; W484-I505 HydrophobicContact CG-CD1 4.42Å; W484-I505 HydrophobicContact CZ3-CD1 4.41Å; W484-F514 HydrophobicContact CB-CZ 4.41Å; W484-F514 HydrophobicContact CE3-CD1 4.23Å; W484-F514 HydrophobicContact CE3-CD2 4.5Å; W484-F514 HydrophobicContact CE3-CE1 4.07Å; W484-F514 HydrophobicContact CE3-CE2 4.36Å; W484-F514 HydrophobicContact CE3-CG 4.46Å; W484-F514 HydrophobicContact CE3-CZ 4.15Å; W484-F514 HydrophobicContact CZ3-CG 4.49Å; W484-F514 WeakPolarHBondContact O-CZ 3.34Å
485	G	95	Very high	95.3	Very high	51 Å²	51	37.8 Å²	37.8	53%	0.526	25%	0.253	S	S	.	.			trans	65.2	9.4	-173.4	0	0	0	0	0	114.8	T481	T481-G485 WeakPolarHBondContact O-CA 3.39Å; T481-G485 PolarHBondContact O-N 2.78Å
486	V	96.2	Very high	95.5	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-91.8	135.8	179.2	-173.5	0	0	0	0	110	I480 T481 W484 S488 I490 I505 W512 F514	I480-V486 HydrophobicContact CG2-CB 4.5Å; T481-V486 VanDerWaalsContact CA-O 3.26Å; T481-V486 WeakPolarHBondContact CA-O 3.49Å; T481-V486 WeakPolarHBondContact CB-O 3.35Å; T481-V486 PolarHBondContact OG1-O 3.37Å; W484-V486 HydrophobicContact CB-CB 4.5Å; W484-V486 HydrophobicContact CB-CG2 4.04Å; W484-V486 PolarHBondContact O-N 2.91Å; W484-V486 VanDerWaalsContact O-N 3.12Å; V486-S488 PolarHBondContact O-N 2.88Å; V486-I490 HydrophobicContact CG1-CG2 4.09Å; V486-I505 HydrophobicContact CB-CG2 4.49Å; V486-I505 HydrophobicContact CG1-CG2 3.89Å; V486-I505 HydrophobicContact CG2-CB 4.38Å; V486-I505 HydrophobicContact CG2-CD1 4.15Å; V486-I505 HydrophobicContact CG2-CG2 4.3Å; V486-W512 HydrophobicContact CG1-CD2 3.86Å; V486-W512 HydrophobicContact CG1-CE3 3.9Å; V486-W512 HydrophobicContact CG1-CG 4.35Å; V486-W512 HydrophobicContact CG1-CZ3 4.35Å; V486-W512 HydrophobicContact CG2-CB 4.1Å; V486-W512 HydrophobicContact CG2-CD2 4.17Å; V486-W512 HydrophobicContact CG2-CG 3.78Å; V486-F514 HydrophobicContact CG2-CE2 4.03Å; V486-F514 HydrophobicContact CG2-CZ 3.75Å
487	P	95.8	Very high	95.4	Very high	61 Å²	61	32.6 Å²	32.6	40%	0.396	21%	0.213	S	C	.	.	P	Polyproline II helix	trans	-60	128.3	171.4	-20.2	32.3	0	0	0	110.9	K507 W512	P487-K507 HydrophobicContact CB-CG 4.42Å; P487-W512 HydrophobicContact CG-CH2 4.17Å; P487-W512 HydrophobicContact CG-CZ2 3.88Å
488	S	93.4	Very high	95.1	Very high	27 Å²	27	31.1 Å²	31.1	19%	0.189	20%	0.203	C	C	.	.	S	Bend	trans	-103.8	159.8	178.5	54.8	0	0	0	0	111.2	H463 T481 V486	H463-S488 PolarHBondContact ND1-OG 2.91Å; T481-S488 WeakPolarHBondContact OG1-CB 3.36Å; T481-S488 PolarHBondContact OG1-N 2.99Å; T481-S488 PolarHBondContact OG1-OG 2.92Å; V486-S488 PolarHBondContact O-N 2.88Å
489	P	94.6	Very high	94.5	Very high	19 Å²	19	28 Å²	28	12%	0.123	19%	0.193	C	C	.	.	S	Bend	cis	-71	145.6	-5.3	31.2	-35.9	0	0	0	111.8	D434 G462 K507	D434-P489 HydrophobicContact CB-CG 4.19Å; D434-P489 VanDerWaalsContact OD1-CG 3.28Å; D434-P489 WeakPolarHBondContact OD1-CG 3.38Å; G462-P489 VanDerWaalsContact O-CA 3.26Å; G462-P489 WeakPolarHBondContact O-CA 3.45Å; G462-P489 VanDerWaalsContact O-CB 3.26Å; G462-P489 WeakPolarHBondContact O-CB 3.36Å; P489-K507 WeakPolarHBondContact O-CD 3.5Å; P489-K507 WeakPolarHBondContact O-CE 3.49Å; P489-K507 PolarHBondContact O-NZ 2.84Å
490	I	95.5	Very high	94.1	Very high	5 Å²	5	29.8 Å²	29.8	3%	0.026	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-82.4	154.7	-178.1	68.1	161.8	0	0	0	112.4	S447 F460 I480 V486 V493 I505	S447-I490 WeakPolarHBondContact CB-O 3.2Å; F460-I490 HydrophobicContact CB-CD1 3.58Å; F460-I490 HydrophobicContact CB-CG1 3.92Å; F460-I490 HydrophobicContact CD1-CD1 3.63Å; F460-I490 HydrophobicContact CD1-CG1 4.32Å; F460-I490 HydrophobicContact CD2-CD1 4.26Å; F460-I490 HydrophobicContact CE1-CD1 4.35Å; F460-I490 HydrophobicContact CG-CD1 3.58Å; F460-I490 HydrophobicContact CG-CG1 4.36Å; I480-I490 HydrophobicContact CD1-CG2 4.37Å; I480-I490 HydrophobicContact CG2-CG2 4.04Å; V486-I490 HydrophobicContact CG1-CG2 4.09Å; I490-V493 HydrophobicContact CD1-CB 4.1Å; I490-V493 HydrophobicContact CD1-CG1 4.27Å; I490-I505 HydrophobicContact CB-CG2 4.08Å; I490-I505 HydrophobicContact CD1-CG2 3.81Å; I490-I505 HydrophobicContact CG2-CG2 3.71Å
491	D	95.4	Very high	93.8	Very high	22 Å²	22	30.1 Å²	30.1	12%	0.118	20%	0.198	C	C	.	.	S	Bend	trans	-86.6	-39.7	-179.1	-61.9	16.4	0	0	0	111.6	F506 K507 G508	D491-F506 PolarHBondContact N-O 2.72Å; D491-K507 WeakPolarHBondContact OD1-CD 3.45Å; D491-K507 IonicContact OD1-NZ 3.66Å; D491-K507 PolarHBondContact OD1-NZ 3.03Å; D491-G508 WeakPolarHBondContact OD2-CA 3.34Å; D491-G508 PolarHBondContact OD2-N 3.47Å
492	T	97.1	Very high	93.7	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.2	170.7	168	-151.8	0	0	0	0	112.8	S447 F506 I538 T539 A540 A541	S447-T492 WeakPolarHBondContact O-CA 3.37Å; T492-F506 HydrophobicContact CG2-CB 4.12Å; T492-F506 HydrophobicContact CG2-CD2 3.87Å; T492-F506 HydrophobicContact CG2-CG 4.11Å; T492-F506 PolarHBondContact O-N 3.33Å; T492-I538 HydrophobicContact CG2-CB 4.46Å; T492-I538 HydrophobicContact CG2-CG2 3.63Å; T492-T539 PolarHBondContact OG1-O 3.26Å; T492-A540 WeakPolarHBondContact OG1-CA 3.48Å; T492-A541 HydrophobicContact CG2-CB 4.1Å
493	V	98.3	Very high	93.9	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	149.7	172	57.8	0	0	0	0	111	T450 F460 I490 T503 Y504 I505	T450-V493 HydrophobicContact CG2-CG1 4.42Å; T450-V493 HydrophobicContact CG2-CG2 3.83Å; F460-V493 HydrophobicContact CD2-CG1 3.65Å; F460-V493 HydrophobicContact CE2-CB 4.47Å; F460-V493 HydrophobicContact CE2-CG1 3.86Å; F460-V493 HydrophobicContact CE2-CG2 4.37Å; F460-V493 HydrophobicContact CG-CG1 4.46Å; I490-V493 HydrophobicContact CD1-CB 4.1Å; I490-V493 HydrophobicContact CD1-CG1 4.27Å; V493-T503 HydrophobicContact CG2-CG2 3.72Å; V493-Y504 CarbonylContact C-O 3.46Å; V493-Y504 VanDerWaalsContact CA-O 3.3Å; V493-Y504 WeakPolarHBondContact CA-O 3.35Å; V493-I505 HydrophobicContact CB-CG1 4.3Å; V493-I505 HydrophobicContact CG2-CG1 3.8Å
494	F	98.1	Very high	94	Very high	3 Å²	3	19.2 Å²	19.2	1%	0.013	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	151.7	160.9	74.3	-90.4	0	0	0	112.5	R496 T503 Y504 F506 F531 A541 V554 F556	F494-R496 HydrophobicContact CE2-CG 3.81Å; F494-T503 CarbonylContact O-C 3.56Å; F494-Y504 HydrophobicContact CE1-CG 4.21Å; F494-Y504 AromaticContact CE2-CD2 3.99Å; F494-Y504 HydrophobicContact CE2-CD2 3.99Å; F494-Y504 HydrophobicContact CE2-CG 4.2Å; F494-Y504 HydrophobicContact CZ-CD1 4.21Å; F494-Y504 HydrophobicContact CZ-CD2 4.09Å; F494-Y504 AromaticContact CZ-CG 3.84Å; F494-Y504 HydrophobicContact CZ-CG 3.84Å; F494-Y504 PolarHBondContact N-O 3.2Å; F494-Y504 PolarHBondContact O-N 2.93Å; F494-F506 AromaticContact CD1-CE2 3.77Å; F494-F506 HydrophobicContact CD1-CE2 3.77Å; F494-F506 HydrophobicContact CD1-CZ 4.44Å; F494-F506 AromaticContact CE1-CE2 3.49Å; F494-F506 HydrophobicContact CE1-CE2 3.49Å; F494-F506 VanDerWaalsContact CE1-CE2 3.49Å; F494-F506 AromaticContact CE1-CZ 3.76Å; F494-F506 HydrophobicContact CE1-CZ 3.76Å; F494-F531 HydrophobicContact CE1-CZ 4.34Å; F494-F531 HydrophobicContact CZ-CE1 4.18Å; F494-F531 HydrophobicContact CZ-CZ 4.14Å; F494-A541 HydrophobicContact CB-CB 3.92Å; F494-A541 WeakPolarHBondContact CB-O 3.35Å; F494-A541 HydrophobicContact CD1-CB 3.41Å; F494-A541 VanDerWaalsContact CD1-CB 3.41Å; F494-A541 HydrophobicContact CE1-CB 4.21Å; F494-A541 HydrophobicContact CG-CB 3.96Å; F494-V554 HydrophobicContact CD1-CG1 4.25Å; F494-V554 HydrophobicContact CD2-CG1 4.46Å; F494-V554 HydrophobicContact CD2-CG2 4.35Å; F494-V554 HydrophobicContact CE1-CG1 4.05Å; F494-V554 HydrophobicContact CE2-CG1 4.31Å; F494-V554 HydrophobicContact CE2-CG2 3.69Å; F494-V554 HydrophobicContact CG-CG1 4.44Å; F494-V554 HydrophobicContact CZ-CG1 4.1Å; F494-V554 HydrophobicContact CZ-CG2 3.83Å; F494-F556 HydrophobicContact CD1-CE1 4.29Å; F494-F556 AromaticContact CE1-CE1 3.73Å; F494-F556 HydrophobicContact CE1-CE1 3.73Å; F494-F556 AromaticContact CE1-CZ 3.79Å; F494-F556 HydrophobicContact CE1-CZ 3.79Å; F494-F556 HydrophobicContact CZ-CZ 4.24Å
495	T	97.3	Very high	94.2	Very high	15 Å²	15	18.1 Å²	18.1	9%	0.092	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	137.5	165.8	-49.6	0	0	0	0	109.2	T450 T451 C497 G501 T503 S543	T450-T495 WeakPolarHBondContact OG1-CB 3.37Å; T450-T495 PolarHBondContact OG1-N 2.96Å; T450-T495 PolarHBondContact OG1-OG1 3.24Å; T451-T495 WeakPolarHBondContact O-CB 3.31Å; T451-T495 WeakPolarHBondContact O-CG2 3.25Å; T451-T495 PolarHBondContact O-OG1 3.18Å; T495-C497 PolarHBondContact O-N 3.32Å; T495-G501 WeakPolarHBondContact CG2-O 3.24Å; T495-T503 PolarHBondContact OG1-OG1 2.85Å; T495-S543 WeakPolarHBondContact O-CB 3.41Å; T495-S543 PolarHBondContact O-OG 3.09Å
496	R	94.4	Very high	94.4	Very high	22 Å²	22	15.8 Å²	15.8	8%	0.083	9%	0.091	C	C	.	.			trans	-66.4	128.9	174	-76.6	-177.2	71.5	-178.7	0.8	110.6	F494 N498 K502 Y504 E552 Y568	F494-R496 HydrophobicContact CE2-CG 3.81Å; R496-N498 PolarHBondContact NE-ND2 3.43Å; R496-N498 PolarHBondContact NH2-ND2 2.84Å; R496-N498 VanDerWaalsContact NH2-ND2 3.18Å; R496-N498 PolarHBondContact O-N 2.89Å; R496-K502 PolarHBondContact N-O 3.4Å; R496-Y504 HydrophobicContact CG-CD2 4.21Å; R496-Y504 HydrophobicContact CG-CE2 3.65Å; R496-E552 IonicContact CZ-OE1 2.63Å; R496-E552 VanDerWaalsContact CZ-OE1 3.23Å; R496-E552 IonicContact CZ-OE2 2.69Å; R496-E552 IonicContact NE-OE1 3.75Å; R496-E552 PolarHBondContact NE-OE1 2.88Å; R496-E552 IonicContact NE-OE2 2.65Å; R496-E552 IonicContact NH2-OE1 3.72Å; R496-E552 PolarHBondContact NH2-OE1 3Å; R496-E552 IonicContact NH2-OE2 2.84Å; R496-E552 PolarHBondContact NH2-OE2 3.3Å; R496-Y568 WeakPolarHBondContact CD-OH 3.45Å; R496-Y568 VanDerWaalsContact CZ-CZ 3.48Å; R496-Y568 VanDerWaalsContact NE-CZ 3.31Å; R496-Y568 PolarHBondContact NE-OH 2.9Å
497	C	91.2	Very high	94.4	Very high	8 Å²	8	18.9 Å²	18.9	5%	0.054	10%	0.104	C	C	.	.	S	Bend	trans	-73.3	59.8	171.2	-62.5	0	0	0	0	111.3	T495 S543 P545 S621 Y631	T495-C497 PolarHBondContact O-N 3.32Å; C497-S543 PolarHBondContact N-OG 3.34Å; C497-S543 PolarHBondContact SG-O 2.85Å; C497-S543 VanDerWaalsContact SG-O 3.39Å; C497-P545 HydrophobicContact CB-CB 3.95Å; C497-P545 HydrophobicContact CB-CG 4.35Å; C497-S621 WeakPolarHBondContact SG-CB 3.41Å; C497-Y631 WeakPolarHBondContact CA-OH 3.49Å; C497-Y631 HydrophobicContact CB-CD1 4.44Å; C497-Y631 HydrophobicContact CB-CD2 4.41Å; C497-Y631 HydrophobicContact CB-CE1 3.93Å; C497-Y631 HydrophobicContact CB-CE2 3.92Å; C497-Y631 VanDerWaalsContact SG-CE1 3.56Å
498	N	88.6	Confident	94.3	Very high	17 Å²	17	18.1 Å²	18.1	9%	0.091	11%	0.108	C	C	.	.	S	Bend	trans	-145	174.1	178.7	85.6	6	0	0	0	111.1	R496 Q500 G501	R496-N498 PolarHBondContact NE-ND2 3.43Å; R496-N498 PolarHBondContact NH2-ND2 2.84Å; R496-N498 VanDerWaalsContact NH2-ND2 3.18Å; R496-N498 PolarHBondContact O-N 2.89Å; N498-Q500 VanDerWaalsContact C-N 3.26Å; N498-Q500 PolarHBondContact O-N 2.89Å; N498-Q500 WeakPolarHBondContact OD1-CB 3.46Å; N498-Q500 PolarHBondContact OD1-N 2.88Å; N498-G501 PolarHBondContact O-N 2.87Å; N498-G501 PolarHBondContact OD1-N 2.65Å
499	C	83.1	Confident	94.4	Very high	32 Å²	32	19.4 Å²	19.4	22%	0.216	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-14.6	-168.9	-47.5	0	0	0	0	114.9	R453 P574 C576	R453-C499 PolarHBondContact NE-O 2.91Å; R453-C499 PolarHBondContact NH2-O 3.5Å; C499-P574 PolarHBondContact SG-O 2.81Å; C499-C576 HydrophobicContact CB-CB 4.12Å; C499-C576 WeakPolarHBondContact CB-SG 3.3Å; C499-C576 WeakPolarHBondContact SG-CA 3.31Å; C499-C576 WeakPolarHBondContact SG-CB 3.4Å; C499-C576 PolarHBondContact SG-N 3.14Å; C499-C576 CovalentContact SG-SG 2.03Å; C499-C576 PolarHBondContact SG-SG 2.87Å
500	Q	85.8	Confident	94.6	Very high	65 Å²	65	23.6 Å²	23.6	30%	0.304	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-28.6	169.5	-69.8	168.4	-33.4	0	0	111.8	R453 N498 K502 P574	R453-Q500 VanDerWaalsContact CD-O 3.25Å; R453-Q500 WeakPolarHBondContact CD-O 3.32Å; R453-Q500 PolarHBondContact NE-O 3.43Å; N498-Q500 VanDerWaalsContact C-N 3.26Å; N498-Q500 PolarHBondContact O-N 2.89Å; N498-Q500 WeakPolarHBondContact OD1-CB 3.46Å; N498-Q500 PolarHBondContact OD1-N 2.88Å; Q500-K502 HydrophobicContact CB-CG 4.14Å; Q500-K502 PolarHBondContact O-N 3.38Å; Q500-P574 HydrophobicContact CG-CG 4Å
501	G	89.5	Confident	94.7	Very high	7 Å²	7	23.9 Å²	23.9	7%	0.072	14%	0.142	C	C	.	.			trans	55.2	33.4	179.9	0	0	0	0	0	113.9	T495 N498 T503	T495-G501 WeakPolarHBondContact CG2-O 3.24Å; N498-G501 PolarHBondContact O-N 2.87Å; N498-G501 PolarHBondContact OD1-N 2.65Å; G501-T503 PolarHBondContact O-N 2.65Å
502	K	94.7	Very high	94.8	Very high	12 Å²	12	23.8 Å²	23.8	5%	0.052	14%	0.14	C	C	.	.			trans	-66.6	133.7	179.9	-69.3	-156	-179.4	-120.6	0	111	R496 Q500 Y504 R513 F514 E515 D520	R496-K502 PolarHBondContact N-O 3.4Å; Q500-K502 HydrophobicContact CB-CG 4.14Å; Q500-K502 PolarHBondContact O-N 3.38Å; K502-Y504 HydrophobicContact CB-CD2 4.49Å; K502-Y504 HydrophobicContact CB-CE2 3.86Å; K502-Y504 WeakPolarHBondContact O-CD2 3.48Å; K502-R513 HydrophobicContact CB-CG 4.21Å; K502-R513 HydrophobicContact CD-CG 3.96Å; K502-F514 CarbonylContact C-O 3.53Å; K502-F514 WeakPolarHBondContact CA-O 3.43Å; K502-F514 WeakPolarHBondContact CB-O 3.3Å; K502-E515 HydrophobicContact CD-CB 4.17Å; K502-E515 WeakPolarHBondContact CE-OE1 3.24Å; K502-E515 VanDerWaalsContact CE-OE2 3.23Å; K502-E515 WeakPolarHBondContact CE-OE2 3.35Å; K502-E515 HydrophobicContact CG-CB 4.09Å; K502-E515 VanDerWaalsContact NZ-CB 3.28Å; K502-E515 IonicContact NZ-OE1 2.79Å; K502-E515 IonicContact NZ-OE2 2.73Å; K502-E515 PolarHBondContact NZ-OE2 2.57Å; K502-D520 IonicContact NZ-OD1 2.7Å; K502-D520 PolarHBondContact NZ-OD1 3.21Å; K502-D520 IonicContact NZ-OD2 2.89Å; K502-D520 PolarHBondContact NZ-OD2 2.89Å
503	T	97.6	Very high	94.9	Very high	5 Å²	5	26.6 Å²	26.6	3%	0.031	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	137.7	179.2	-53.1	0	0	0	0	110.2	T450 L452 V493 F494 T495 G501 I505 R513 F514	T450-T503 HydrophobicContact CG2-CG2 4.23Å; L452-T503 HydrophobicContact CD2-CG2 4.12Å; L452-T503 WeakPolarHBondContact CD2-OG1 3.45Å; V493-T503 HydrophobicContact CG2-CG2 3.72Å; F494-T503 CarbonylContact O-C 3.56Å; T495-T503 PolarHBondContact OG1-OG1 2.85Å; G501-T503 PolarHBondContact O-N 2.65Å; T503-I505 HydrophobicContact CG2-CG1 4.48Å; T503-R513 CarbonylContact O-C 3.52Å; T503-R513 VanDerWaalsContact O-CA 3.31Å; T503-R513 WeakPolarHBondContact O-CA 3.26Å; T503-F514 PolarHBondContact N-O 2.73Å; T503-F514 PolarHBondContact O-N 3.32Å
504	Y	98.4	Very high	94.8	Very high	10 Å²	10	26.9 Å²	26.9	4%	0.039	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	118.1	-175.6	-70.6	-114.8	0	0	0	109	V493 F494 R496 K502 Y511 W512 R513 F531	V493-Y504 CarbonylContact C-O 3.46Å; V493-Y504 VanDerWaalsContact CA-O 3.3Å; V493-Y504 WeakPolarHBondContact CA-O 3.35Å; F494-Y504 HydrophobicContact CE1-CG 4.21Å; F494-Y504 AromaticContact CE2-CD2 3.99Å; F494-Y504 HydrophobicContact CE2-CD2 3.99Å; F494-Y504 HydrophobicContact CE2-CG 4.2Å; F494-Y504 HydrophobicContact CZ-CD1 4.21Å; F494-Y504 HydrophobicContact CZ-CD2 4.09Å; F494-Y504 AromaticContact CZ-CG 3.84Å; F494-Y504 HydrophobicContact CZ-CG 3.84Å; F494-Y504 PolarHBondContact N-O 3.2Å; F494-Y504 PolarHBondContact O-N 2.93Å; R496-Y504 HydrophobicContact CG-CD2 4.21Å; R496-Y504 HydrophobicContact CG-CE2 3.65Å; K502-Y504 HydrophobicContact CB-CD2 4.49Å; K502-Y504 HydrophobicContact CB-CE2 3.86Å; K502-Y504 WeakPolarHBondContact O-CD2 3.48Å; Y504-Y511 AromaticContact CD1-CD2 3.7Å; Y504-Y511 HydrophobicContact CD1-CD2 3.7Å; Y504-Y511 AromaticContact CD1-CE2 3.66Å; Y504-Y511 HydrophobicContact CD1-CE2 3.66Å; Y504-Y511 HydrophobicContact CE1-CD2 4.33Å; Y504-Y511 AromaticContact CE1-CE2 3.81Å; Y504-Y511 HydrophobicContact CE1-CE2 3.81Å; Y504-W512 WeakPolarHBondContact CA-O 3.44Å; Y504-R513 HydrophobicContact CD1-CG 4.34Å; Y504-R513 HydrophobicContact CD2-CG 4.29Å; Y504-R513 HydrophobicContact CE1-CG 4.11Å; Y504-R513 HydrophobicContact CE2-CG 4Å; Y504-R513 HydrophobicContact CG-CG 4.44Å; Y504-R513 VanDerWaalsContact CZ-CD 3.4Å; Y504-R513 WeakPolarHBondContact OH-CD 3.26Å; Y504-F531 HydrophobicContact CD1-CE2 4.36Å; Y504-F531 AromaticContact CD1-CZ 3.68Å; Y504-F531 HydrophobicContact CD1-CZ 3.68Å; Y504-F531 AromaticContact CE1-CZ 3.81Å; Y504-F531 HydrophobicContact CE1-CZ 3.81Å
505	I	98.4	Very high	94.4	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	134.1	-179.6	-55.3	-179.2	0	0	0	109	F460 W484 V486 I490 V493 T503 Y511 W512 F514	F460-I505 HydrophobicContact CE1-CD1 4.42Å; F460-I505 HydrophobicContact CZ-CD1 4.38Å; W484-I505 HydrophobicContact CD2-CD1 4.08Å; W484-I505 HydrophobicContact CE3-CD1 3.81Å; W484-I505 HydrophobicContact CG-CD1 4.42Å; W484-I505 HydrophobicContact CZ3-CD1 4.41Å; V486-I505 HydrophobicContact CB-CG2 4.49Å; V486-I505 HydrophobicContact CG1-CG2 3.89Å; V486-I505 HydrophobicContact CG2-CB 4.38Å; V486-I505 HydrophobicContact CG2-CD1 4.15Å; V486-I505 HydrophobicContact CG2-CG2 4.3Å; I490-I505 HydrophobicContact CB-CG2 4.08Å; I490-I505 HydrophobicContact CD1-CG2 3.81Å; I490-I505 HydrophobicContact CG2-CG2 3.71Å; V493-I505 HydrophobicContact CB-CG1 4.3Å; V493-I505 HydrophobicContact CG2-CG1 3.8Å; T503-I505 HydrophobicContact CG2-CG1 4.48Å; I505-Y511 CarbonylContact O-C 3.53Å; I505-Y511 WeakPolarHBondContact O-CA 3.31Å; I505-Y511 WeakPolarHBondContact O-CB 3.34Å; I505-W512 PolarHBondContact N-O 2.79Å; I505-W512 PolarHBondContact O-N 3.18Å; I505-F514 HydrophobicContact CB-CE2 4.48Å; I505-F514 HydrophobicContact CD1-CD2 4.26Å; I505-F514 HydrophobicContact CD1-CE2 3.72Å; I505-F514 HydrophobicContact CD1-CZ 4.39Å; I505-F514 HydrophobicContact CG1-CD2 4.41Å; I505-F514 HydrophobicContact CG1-CE2 4.08Å
506	F	98.1	Very high	93.7	Very high	2 Å²	2	34.1 Å²	34.1	1%	0.009	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	138.5	-173.5	-69.1	-106.4	0	0	0	111.8	D491 T492 F494 Y511 V527 F531 I538 F556	D491-F506 PolarHBondContact N-O 2.72Å; T492-F506 HydrophobicContact CG2-CB 4.12Å; T492-F506 HydrophobicContact CG2-CD2 3.87Å; T492-F506 HydrophobicContact CG2-CG 4.11Å; T492-F506 PolarHBondContact O-N 3.33Å; F494-F506 AromaticContact CD1-CE2 3.77Å; F494-F506 HydrophobicContact CD1-CE2 3.77Å; F494-F506 HydrophobicContact CD1-CZ 4.44Å; F494-F506 AromaticContact CE1-CE2 3.49Å; F494-F506 HydrophobicContact CE1-CE2 3.49Å; F494-F506 VanDerWaalsContact CE1-CE2 3.49Å; F494-F506 AromaticContact CE1-CZ 3.76Å; F494-F506 HydrophobicContact CE1-CZ 3.76Å; F506-Y511 HydrophobicContact CE1-CG 4.31Å; F506-Y511 HydrophobicContact CZ-CG 4.49Å; F506-V527 HydrophobicContact CD1-CG1 4.39Å; F506-V527 HydrophobicContact CD1-CG2 3.68Å; F506-V527 HydrophobicContact CE1-CG1 4.03Å; F506-V527 HydrophobicContact CE1-CG2 3.86Å; F506-F531 HydrophobicContact CE1-CD2 4.24Å; F506-F531 AromaticContact CE1-CE2 3.81Å; F506-F531 HydrophobicContact CE1-CE2 3.81Å; F506-F531 HydrophobicContact CE1-CZ 4.48Å; F506-F531 HydrophobicContact CZ-CD2 4.32Å; F506-F531 AromaticContact CZ-CE2 3.53Å; F506-F531 HydrophobicContact CZ-CE2 3.53Å; F506-F531 AromaticContact CZ-CZ 3.78Å; F506-F531 HydrophobicContact CZ-CZ 3.78Å; F506-I538 HydrophobicContact CD1-CD1 3.7Å; F506-I538 HydrophobicContact CE1-CD1 3.84Å; F506-F556 HydrophobicContact CE1-CE1 4.24Å; F506-F556 HydrophobicContact CE2-CE1 4.32Å; F506-F556 AromaticContact CZ-CE1 3.77Å; F506-F556 HydrophobicContact CZ-CE1 3.77Å; F506-F556 HydrophobicContact CZ-CZ 4.17Å
507	K	96.5	Very high	93	Very high	64 Å²	64	37.5 Å²	37.5	28%	0.278	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	110.6	171.8	-177.3	74.6	-155.2	147.6	0	109.7	P487 P489 D491 K510 W512	P487-K507 HydrophobicContact CB-CG 4.42Å; P489-K507 WeakPolarHBondContact O-CD 3.5Å; P489-K507 WeakPolarHBondContact O-CE 3.49Å; P489-K507 PolarHBondContact O-NZ 2.84Å; D491-K507 WeakPolarHBondContact OD1-CD 3.45Å; D491-K507 IonicContact OD1-NZ 3.66Å; D491-K507 PolarHBondContact OD1-NZ 3.03Å; K507-K510 CarbonylContact C-O 3.6Å; K507-K510 PolarHBondContact N-O 2.96Å; K507-K510 PolarHBondContact O-N 3.42Å; K507-K510 VanDerWaalsContact O-N 3.13Å; K507-K510 VanDerWaalsContact O-O 3.14Å; K507-W512 HydrophobicContact CB-CH2 4.11Å; K507-W512 HydrophobicContact CB-CZ3 3.68Å
508	G	94.3	Very high	93	Very high	46 Å²	46	40 Å²	40	47%	0.474	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	-136.2	-174.4	0	0	0	0	0	112.3	D491 K510	D491-G508 WeakPolarHBondContact OD2-CA 3.34Å; D491-G508 PolarHBondContact OD2-N 3.47Å; G508-K510 PolarHBondContact O-N 2.87Å; G508-K510 VanDerWaalsContact O-N 3.11Å
509	G	95.8	Very high	93.3	Very high	53 Å²	53	42.9 Å²	42.9	55%	0.546	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	4.3	176.4	0	0	0	0	0	115.6	V526 V527	G509-V526 WeakPolarHBondContact O-CA 3.42Å; G509-V527 PolarHBondContact O-N 3.45Å
510	K	97.8	Very high	93.9	Very high	107 Å²	107	42 Å²	42	47%	0.465	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	151.7	-172	-69.3	175.3	-175.5	170.5	0	112.6	K507 G508 W512 P524 K525	K507-K510 CarbonylContact C-O 3.6Å; K507-K510 PolarHBondContact N-O 2.96Å; K507-K510 PolarHBondContact O-N 3.42Å; K507-K510 VanDerWaalsContact O-N 3.13Å; K507-K510 VanDerWaalsContact O-O 3.14Å; G508-K510 PolarHBondContact O-N 2.87Å; G508-K510 VanDerWaalsContact O-N 3.11Å; K510-W512 HydrophobicContact CB-CH2 3.97Å; K510-W512 HydrophobicContact CB-CZ3 3.79Å; K510-P524 HydrophobicContact CB-CB 4.33Å; K510-K525 CarbonylContact C-O 3.59Å; K510-K525 VanDerWaalsContact CA-O 3.3Å; K510-K525 WeakPolarHBondContact CA-O 3.26Å
511	Y	98.4	Very high	94.3	Very high	11 Å²	11	44.8 Å²	44.8	4%	0.043	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	147	173.5	75.6	-74.2	0	0	0	112.4	Y504 I505 F506 Y523 P524 K525 V527 G530 F531	Y504-Y511 AromaticContact CD1-CD2 3.7Å; Y504-Y511 HydrophobicContact CD1-CD2 3.7Å; Y504-Y511 AromaticContact CD1-CE2 3.66Å; Y504-Y511 HydrophobicContact CD1-CE2 3.66Å; Y504-Y511 HydrophobicContact CE1-CD2 4.33Å; Y504-Y511 AromaticContact CE1-CE2 3.81Å; Y504-Y511 HydrophobicContact CE1-CE2 3.81Å; I505-Y511 CarbonylContact O-C 3.53Å; I505-Y511 WeakPolarHBondContact O-CA 3.31Å; I505-Y511 WeakPolarHBondContact O-CB 3.34Å; F506-Y511 HydrophobicContact CE1-CG 4.31Å; F506-Y511 HydrophobicContact CZ-CG 4.49Å; Y511-Y523 HydrophobicContact CD2-CE1 4.13Å; Y511-Y523 HydrophobicContact CE2-CD1 4.36Å; Y511-Y523 AromaticContact CE2-CE1 3.54Å; Y511-Y523 HydrophobicContact CE2-CE1 3.54Å; Y511-Y523 AromaticContact CZ-CE1 3.81Å; Y511-P524 CarbonylContact O-C 3.6Å; Y511-P524 WeakPolarHBondContact O-CA 3.4Å; Y511-P524 WeakPolarHBondContact O-CB 3.42Å; Y511-K525 HydrophobicContact CD1-CB 4.3Å; Y511-K525 WeakPolarHBondContact CD1-O 2.98Å; Y511-K525 HydrophobicContact CE1-CB 3.67Å; Y511-K525 PolarHBondContact N-O 2.77Å; Y511-K525 PolarHBondContact O-N 3.07Å; Y511-V527 HydrophobicContact CD1-CB 4.48Å; Y511-V527 HydrophobicContact CD1-CG2 3.88Å; Y511-V527 HydrophobicContact CG-CG2 4.38Å; Y511-G530 WeakPolarHBondContact OH-CA 3.35Å; Y511-F531 HydrophobicContact CD1-CD2 4.47Å; Y511-F531 HydrophobicContact CD1-CE2 4.09Å; Y511-F531 AromaticContact CD2-CE2 3.81Å; Y511-F531 HydrophobicContact CD2-CE2 3.81Å; Y511-F531 HydrophobicContact CD2-CZ 4.41Å; Y511-F531 HydrophobicContact CE1-CD2 4.22Å; Y511-F531 AromaticContact CE1-CE2 3.96Å; Y511-F531 HydrophobicContact CE1-CE2 3.96Å; Y511-F531 AromaticContact CE2-CE2 3.62Å; Y511-F531 HydrophobicContact CE2-CE2 3.62Å; Y511-F531 HydrophobicContact CE2-CZ 4.13Å; Y511-F531 HydrophobicContact CG-CE2 4.02Å; Y511-F531 AromaticContact CZ-CE2 3.71Å
512	W	98.5	Very high	94.5	Very high	20 Å²	20	47.4 Å²	47.4	8%	0.076	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	151	175.1	-68.1	-115.3	0	0	0	108.2	V486 P487 Y504 I505 K507 K510 F514 L519 P524	V486-W512 HydrophobicContact CG1-CD2 3.86Å; V486-W512 HydrophobicContact CG1-CE3 3.9Å; V486-W512 HydrophobicContact CG1-CG 4.35Å; V486-W512 HydrophobicContact CG1-CZ3 4.35Å; V486-W512 HydrophobicContact CG2-CB 4.1Å; V486-W512 HydrophobicContact CG2-CD2 4.17Å; V486-W512 HydrophobicContact CG2-CG 3.78Å; P487-W512 HydrophobicContact CG-CH2 4.17Å; P487-W512 HydrophobicContact CG-CZ2 3.88Å; Y504-W512 WeakPolarHBondContact CA-O 3.44Å; I505-W512 PolarHBondContact N-O 2.79Å; I505-W512 PolarHBondContact O-N 3.18Å; K507-W512 HydrophobicContact CB-CH2 4.11Å; K507-W512 HydrophobicContact CB-CZ3 3.68Å; K510-W512 HydrophobicContact CB-CH2 3.97Å; K510-W512 HydrophobicContact CB-CZ3 3.79Å; W512-F514 HydrophobicContact CB-CE2 3.67Å; W512-F514 HydrophobicContact CB-CZ 4.23Å; W512-L519 HydrophobicContact CB-CD1 4.02Å; W512-L519 HydrophobicContact CG-CD1 4.33Å; W512-P524 HydrophobicContact CD2-CB 3.71Å; W512-P524 HydrophobicContact CD2-CG 4.42Å; W512-P524 HydrophobicContact CE3-CB 4.04Å; W512-P524 HydrophobicContact CG-CB 4.18Å; W512-P524 HydrophobicContact CH2-CB 4.02Å; W512-P524 HydrophobicContact CH2-CG 4.23Å; W512-P524 HydrophobicContact CZ2-CB 3.76Å; W512-P524 HydrophobicContact CZ2-CG 3.68Å; W512-P524 HydrophobicContact CZ3-CB 4.15Å
513	R	98	Very high	94.6	Very high	60 Å²	60	48.2 Å²	48.2	23%	0.226	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	134.6	177.3	-172.9	176.2	74.9	-177	-0.5	109.8	K502 T503 Y504 D520 Y523	K502-R513 HydrophobicContact CB-CG 4.21Å; K502-R513 HydrophobicContact CD-CG 3.96Å; T503-R513 CarbonylContact O-C 3.52Å; T503-R513 VanDerWaalsContact O-CA 3.31Å; T503-R513 WeakPolarHBondContact O-CA 3.26Å; Y504-R513 HydrophobicContact CD1-CG 4.34Å; Y504-R513 HydrophobicContact CD2-CG 4.29Å; Y504-R513 HydrophobicContact CE1-CG 4.11Å; Y504-R513 HydrophobicContact CE2-CG 4Å; Y504-R513 HydrophobicContact CG-CG 4.44Å; Y504-R513 VanDerWaalsContact CZ-CD 3.4Å; Y504-R513 WeakPolarHBondContact OH-CD 3.26Å; R513-D520 HydrophobicContact CB-CB 4.42Å; R513-D520 IonicContact CZ-OD2 2.76Å; R513-D520 IonicContact NE-OD2 3.17Å; R513-D520 PolarHBondContact NE-OD2 3.07Å; R513-D520 IonicContact NH2-OD2 3.32Å; R513-D520 PolarHBondContact NH2-OD2 2.91Å; R513-D520 WeakPolarHBondContact O-CB 3.33Å; R513-D520 PolarHBondContact O-N 3.37Å; R513-Y523 HydrophobicContact CB-CD1 3.84Å; R513-Y523 HydrophobicContact CB-CD2 4.17Å; R513-Y523 HydrophobicContact CB-CE1 3.7Å; R513-Y523 HydrophobicContact CB-CE2 4.01Å; R513-Y523 HydrophobicContact CB-CG 4.09Å; R513-Y523 PolarHBondContact NH1-OH 2.85Å
514	F	95.9	Very high	94.6	Very high	5 Å²	5	50.8 Å²	50.8	2%	0.022	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	149.8	-177.4	-60.8	-100.8	0	0	0	111.4	W484 V486 K502 T503 I505 W512 A518 L519	W484-F514 HydrophobicContact CB-CZ 4.41Å; W484-F514 HydrophobicContact CE3-CD1 4.23Å; W484-F514 HydrophobicContact CE3-CD2 4.5Å; W484-F514 HydrophobicContact CE3-CE1 4.07Å; W484-F514 HydrophobicContact CE3-CE2 4.36Å; W484-F514 HydrophobicContact CE3-CG 4.46Å; W484-F514 HydrophobicContact CE3-CZ 4.15Å; W484-F514 HydrophobicContact CZ3-CG 4.49Å; W484-F514 WeakPolarHBondContact O-CZ 3.34Å; V486-F514 HydrophobicContact CG2-CE2 4.03Å; V486-F514 HydrophobicContact CG2-CZ 3.75Å; K502-F514 CarbonylContact C-O 3.53Å; K502-F514 WeakPolarHBondContact CA-O 3.43Å; K502-F514 WeakPolarHBondContact CB-O 3.3Å; T503-F514 PolarHBondContact N-O 2.73Å; T503-F514 PolarHBondContact O-N 3.32Å; I505-F514 HydrophobicContact CB-CE2 4.48Å; I505-F514 HydrophobicContact CD1-CD2 4.26Å; I505-F514 HydrophobicContact CD1-CE2 3.72Å; I505-F514 HydrophobicContact CD1-CZ 4.39Å; I505-F514 HydrophobicContact CG1-CD2 4.41Å; I505-F514 HydrophobicContact CG1-CE2 4.08Å; W512-F514 HydrophobicContact CB-CE2 3.67Å; W512-F514 HydrophobicContact CB-CZ 4.23Å; F514-A518 CarbonylContact C-O 3.59Å; F514-A518 WeakPolarHBondContact CA-O 3.33Å; F514-A518 WeakPolarHBondContact CB-O 3.28Å; F514-L519 HydrophobicContact CD1-CB 4.11Å; F514-L519 HydrophobicContact CD1-CD1 4.48Å; F514-L519 HydrophobicContact CE1-CB 3.84Å; F514-L519 HydrophobicContact CE1-CD1 4.05Å; F514-L519 HydrophobicContact CE2-CD1 4.24Å; F514-L519 HydrophobicContact CZ-CD1 3.91Å
515	E	90.4	Very high	94.6	Very high	66 Å²	66	54.4 Å²	54.4	31%	0.308	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	122	172.2	175.8	159.9	-113.9	0	0	109.3	K502 D517 A518	K502-E515 HydrophobicContact CD-CB 4.17Å; K502-E515 WeakPolarHBondContact CE-OE1 3.24Å; K502-E515 VanDerWaalsContact CE-OE2 3.23Å; K502-E515 WeakPolarHBondContact CE-OE2 3.35Å; K502-E515 HydrophobicContact CG-CB 4.09Å; K502-E515 VanDerWaalsContact NZ-CB 3.28Å; K502-E515 IonicContact NZ-OE1 2.79Å; K502-E515 IonicContact NZ-OE2 2.73Å; K502-E515 PolarHBondContact NZ-OE2 2.57Å; E515-D517 VanDerWaalsContact C-N 3.26Å; E515-D517 PolarHBondContact O-N 2.91Å; E515-A518 PolarHBondContact N-O 2.89Å; E515-A518 PolarHBondContact O-N 3.48Å
516	N	82.4	Confident	94.5	Very high	105 Å²	105	57.7 Å²	57.7	56%	0.561	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.3	51.4	-172.6	-43.1	-53.2	0	0	0	111.4	R453 A518	R453-N516 PolarHBondContact NH1-OD1 2.84Å; N516-A518 PolarHBondContact O-N 2.86Å
517	D	80.7	Confident	94.5	Very high	92 Å²	92	57.9 Å²	57.9	49%	0.492	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	62	-3.5	-179.7	-51.8	-38.7	0	0	0	117.3	E515	E515-D517 VanDerWaalsContact C-N 3.26Å; E515-D517 PolarHBondContact O-N 2.91Å
518	A	89.6	Confident	94.4	Very high	61 Å²	61	60.1 Å²	60.1	50%	0.504	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	142.4	169.6	0	0	0	0	0	112.2	F514 E515 N516	F514-A518 CarbonylContact C-O 3.59Å; F514-A518 WeakPolarHBondContact CA-O 3.33Å; F514-A518 WeakPolarHBondContact CB-O 3.28Å; E515-A518 PolarHBondContact N-O 2.89Å; E515-A518 PolarHBondContact O-N 3.48Å; N516-A518 PolarHBondContact O-N 2.86Å
519	L	95.1	Very high	94.4	Very high	77 Å²	77	63.6 Å²	63.6	40%	0.403	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	124.8	173.4	177.6	63.8	0	0	0	110.5	W512 F514	W512-L519 HydrophobicContact CB-CD1 4.02Å; W512-L519 HydrophobicContact CG-CD1 4.33Å; F514-L519 HydrophobicContact CD1-CB 4.11Å; F514-L519 HydrophobicContact CD1-CD1 4.48Å; F514-L519 HydrophobicContact CE1-CB 3.84Å; F514-L519 HydrophobicContact CE1-CD1 4.05Å; F514-L519 HydrophobicContact CE2-CD1 4.24Å; F514-L519 HydrophobicContact CZ-CD1 3.91Å
520	D	95.2	Very high	94.3	Very high	14 Å²	14	62.2 Å²	62.2	8%	0.075	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-60.4	137.5	177.6	-89.5	45.4	0	0	0	111.8	K502 R513 Y523	K502-D520 IonicContact NZ-OD1 2.7Å; K502-D520 PolarHBondContact NZ-OD1 3.21Å; K502-D520 IonicContact NZ-OD2 2.89Å; K502-D520 PolarHBondContact NZ-OD2 2.89Å; R513-D520 HydrophobicContact CB-CB 4.42Å; R513-D520 IonicContact CZ-OD2 2.76Å; R513-D520 IonicContact NE-OD2 3.17Å; R513-D520 PolarHBondContact NE-OD2 3.07Å; R513-D520 IonicContact NH2-OD2 3.32Å; R513-D520 PolarHBondContact NH2-OD2 2.91Å; R513-D520 WeakPolarHBondContact O-CB 3.33Å; R513-D520 PolarHBondContact O-N 3.37Å; D520-Y523 HydrophobicContact CB-CD2 3.44Å; D520-Y523 VanDerWaalsContact CB-CD2 3.44Å; D520-Y523 HydrophobicContact CB-CE2 3.79Å; D520-Y523 HydrophobicContact CB-CG 4.38Å; D520-Y523 WeakPolarHBondContact O-CB 3.41Å; D520-Y523 WeakPolarHBondContact O-CD2 3.46Å; D520-Y523 PolarHBondContact O-N 3.41Å
521	P	95.3	Very high	94.2	Very high	124 Å²	124	57.2 Å²	57.2	81%	0.805	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	141.2	172.2	-28.2	36.1	0	0	0	113.7
522	G	93.1	Very high	93.9	Very high	62 Å²	62	60.3 Å²	60.3	64%	0.639	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.2	20.2	-178.8	0	0	0	0	0	114.7	K525	G522-K525 WeakPolarHBondContact O-CE 3.5Å; G522-K525 WeakPolarHBondContact O-CG 3.17Å
523	Y	96.8	Very high	93.7	Very high	29 Å²	29	60.8 Å²	60.8	11%	0.114	36%	0.359	C	S	.	.			trans	-107.3	153.9	167.9	-76.5	-90.2	0	0	0	111.2	Y511 R513 D520 K525	Y511-Y523 HydrophobicContact CD2-CE1 4.13Å; Y511-Y523 HydrophobicContact CE2-CD1 4.36Å; Y511-Y523 AromaticContact CE2-CE1 3.54Å; Y511-Y523 HydrophobicContact CE2-CE1 3.54Å; Y511-Y523 AromaticContact CZ-CE1 3.81Å; R513-Y523 HydrophobicContact CB-CD1 3.84Å; R513-Y523 HydrophobicContact CB-CD2 4.17Å; R513-Y523 HydrophobicContact CB-CE1 3.7Å; R513-Y523 HydrophobicContact CB-CE2 4.01Å; R513-Y523 HydrophobicContact CB-CG 4.09Å; R513-Y523 PolarHBondContact NH1-OH 2.85Å; D520-Y523 HydrophobicContact CB-CD2 3.44Å; D520-Y523 VanDerWaalsContact CB-CD2 3.44Å; D520-Y523 HydrophobicContact CB-CE2 3.79Å; D520-Y523 HydrophobicContact CB-CG 4.38Å; D520-Y523 WeakPolarHBondContact O-CB 3.41Å; D520-Y523 WeakPolarHBondContact O-CD2 3.46Å; D520-Y523 PolarHBondContact O-N 3.41Å; Y523-K525 HydrophobicContact CD1-CB 4.14Å; Y523-K525 HydrophobicContact CD1-CD 4.16Å; Y523-K525 HydrophobicContact CD1-CG 3.78Å; Y523-K525 HydrophobicContact CE1-CB 3.97Å; Y523-K525 HydrophobicContact CE1-CD 3.6Å; Y523-K525 HydrophobicContact CE1-CG 3.67Å; Y523-K525 HydrophobicContact CE2-CD 4.17Å; Y523-K525 HydrophobicContact CG-CG 4.31Å
524	P	98.1	Very high	93.6	Very high	59 Å²	59	58 Å²	58	38%	0.383	35%	0.348	S	S	.	.	S	Bend	cis	-72.2	158.5	3.3	29.3	-36.2	0	0	0	115	K510 Y511 W512	K510-P524 HydrophobicContact CB-CB 4.33Å; Y511-P524 CarbonylContact O-C 3.6Å; Y511-P524 WeakPolarHBondContact O-CA 3.4Å; Y511-P524 WeakPolarHBondContact O-CB 3.42Å; W512-P524 HydrophobicContact CD2-CB 3.71Å; W512-P524 HydrophobicContact CD2-CG 4.42Å; W512-P524 HydrophobicContact CE3-CB 4.04Å; W512-P524 HydrophobicContact CG-CB 4.18Å; W512-P524 HydrophobicContact CH2-CB 4.02Å; W512-P524 HydrophobicContact CH2-CG 4.23Å; W512-P524 HydrophobicContact CZ2-CB 3.76Å; W512-P524 HydrophobicContact CZ2-CG 3.68Å; W512-P524 HydrophobicContact CZ3-CB 4.15Å
525	K	97.6	Very high	93.5	Very high	85 Å²	85	62.4 Å²	62.4	37%	0.37	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	161.1	174	-65	-173.7	-171.6	174.6	0	111.2	K510 Y511 G522 Y523	K510-K525 CarbonylContact C-O 3.59Å; K510-K525 VanDerWaalsContact CA-O 3.3Å; K510-K525 WeakPolarHBondContact CA-O 3.26Å; Y511-K525 HydrophobicContact CD1-CB 4.3Å; Y511-K525 WeakPolarHBondContact CD1-O 2.98Å; Y511-K525 HydrophobicContact CE1-CB 3.67Å; Y511-K525 PolarHBondContact N-O 2.77Å; Y511-K525 PolarHBondContact O-N 3.07Å; G522-K525 WeakPolarHBondContact O-CE 3.5Å; G522-K525 WeakPolarHBondContact O-CG 3.17Å; Y523-K525 HydrophobicContact CD1-CB 4.14Å; Y523-K525 HydrophobicContact CD1-CD 4.16Å; Y523-K525 HydrophobicContact CD1-CG 3.78Å; Y523-K525 HydrophobicContact CE1-CB 3.97Å; Y523-K525 HydrophobicContact CE1-CD 3.6Å; Y523-K525 HydrophobicContact CE1-CG 3.67Å; Y523-K525 HydrophobicContact CE2-CD 4.17Å; Y523-K525 HydrophobicContact CG-CG 4.31Å
526	V	97.4	Very high	93.6	Very high	69 Å²	69	62.2 Å²	62.2	42%	0.418	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	128.2	178.1	-179.6	0	0	0	0	110.1	G509 K528 T529 G530	G509-V526 WeakPolarHBondContact O-CA 3.42Å; V526-K528 HydrophobicContact CG1-CB 4.04Å; V526-K528 PolarHBondContact O-N 3.39Å; V526-T529 PolarHBondContact O-N 2.98Å; V526-G530 PolarHBondContact O-N 2.89Å
527	V	97.4	Very high	94.1	Very high	7 Å²	7	60.7 Å²	60.7	4%	0.042	38%	0.375	C	S	.	.	H	α-helix	trans	-59.4	-44.7	-177.1	175.5	0	0	0	0	111.5	F506 G509 Y511 T529 G530 F531 L534 I538	F506-V527 HydrophobicContact CD1-CG1 4.39Å; F506-V527 HydrophobicContact CD1-CG2 3.68Å; F506-V527 HydrophobicContact CE1-CG1 4.03Å; F506-V527 HydrophobicContact CE1-CG2 3.86Å; G509-V527 PolarHBondContact O-N 3.45Å; Y511-V527 HydrophobicContact CD1-CB 4.48Å; Y511-V527 HydrophobicContact CD1-CG2 3.88Å; Y511-V527 HydrophobicContact CG-CG2 4.38Å; V527-T529 PolarHBondContact O-N 3.24Å; V527-G530 PolarHBondContact O-N 3.47Å; V527-G530 VanDerWaalsContact O-N 3.15Å; V527-F531 HydrophobicContact CG1-CD2 4.3Å; V527-F531 PolarHBondContact O-N 2.58Å; V527-L534 HydrophobicContact CG1-CB 4.07Å; V527-L534 HydrophobicContact CG1-CD2 3.86Å; V527-L534 HydrophobicContact CG1-CG 3.93Å; V527-I538 HydrophobicContact CG1-CD1 4.11Å
528	K	95.6	Very high	94.9	Very high	110 Å²	110	56.8 Å²	56.8	48%	0.478	35%	0.354	S	S	.	.	H	α-helix	trans	-54.1	-37.7	177.4	-175.5	175.8	-178.7	161.2	0	113	V526 G533 L534 Q535	V526-K528 HydrophobicContact CG1-CB 4.04Å; V526-K528 PolarHBondContact O-N 3.39Å; K528-G533 VanDerWaalsContact O-CA 3.3Å; K528-G533 WeakPolarHBondContact O-CA 3.39Å; K528-G533 PolarHBondContact O-N 3.46Å; K528-L534 VanDerWaalsContact CA-O 3.27Å; K528-L534 WeakPolarHBondContact CA-O 3.1Å; K528-L534 PolarHBondContact N-O 3.27Å; K528-Q535 HydrophobicContact CB-CG 4.03Å; K528-Q535 HydrophobicContact CD-CG 3.8Å; K528-Q535 VanDerWaalsContact CE-CD 3.48Å; K528-Q535 HydrophobicContact CG-CG 3.79Å
529	T	93.8	Very high	95.2	Very high	120 Å²	120	54.2 Å²	54.2	74%	0.736	33%	0.331	S	S	*	.	H	α-helix	trans	-88.4	-30	179.5	-42.9	0	0	0	0	112.4	V526 V527	V526-T529 PolarHBondContact O-N 2.98Å; V527-T529 PolarHBondContact O-N 3.24Å
530	G	92.6	Very high	95.3	Very high	23 Å²	23	50.5 Å²	50.5	24%	0.237	31%	0.312	C	S	.	.	H	α-helix	trans	-82.7	-14.8	-178.1	0	0	0	0	0	115.8	Y511 V526 V527	Y511-G530 WeakPolarHBondContact OH-CA 3.35Å; V526-G530 PolarHBondContact O-N 2.89Å; V527-G530 PolarHBondContact O-N 3.47Å; V527-G530 VanDerWaalsContact O-N 3.15Å
531	F	95.6	Very high	95.5	Very high	3 Å²	3	49.9 Å²	49.9	1%	0.013	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-141.5	52.5	-176.3	-65.7	-84.1	0	0	0	111.6	F494 Y504 F506 Y511 V527 G533 L534 F556 Y566	F494-F531 HydrophobicContact CE1-CZ 4.34Å; F494-F531 HydrophobicContact CZ-CE1 4.18Å; F494-F531 HydrophobicContact CZ-CZ 4.14Å; Y504-F531 HydrophobicContact CD1-CE2 4.36Å; Y504-F531 AromaticContact CD1-CZ 3.68Å; Y504-F531 HydrophobicContact CD1-CZ 3.68Å; Y504-F531 AromaticContact CE1-CZ 3.81Å; Y504-F531 HydrophobicContact CE1-CZ 3.81Å; F506-F531 HydrophobicContact CE1-CD2 4.24Å; F506-F531 AromaticContact CE1-CE2 3.81Å; F506-F531 HydrophobicContact CE1-CE2 3.81Å; F506-F531 HydrophobicContact CE1-CZ 4.48Å; F506-F531 HydrophobicContact CZ-CD2 4.32Å; F506-F531 AromaticContact CZ-CE2 3.53Å; F506-F531 HydrophobicContact CZ-CE2 3.53Å; F506-F531 AromaticContact CZ-CZ 3.78Å; F506-F531 HydrophobicContact CZ-CZ 3.78Å; Y511-F531 HydrophobicContact CD1-CD2 4.47Å; Y511-F531 HydrophobicContact CD1-CE2 4.09Å; Y511-F531 AromaticContact CD2-CE2 3.81Å; Y511-F531 HydrophobicContact CD2-CE2 3.81Å; Y511-F531 HydrophobicContact CD2-CZ 4.41Å; Y511-F531 HydrophobicContact CE1-CD2 4.22Å; Y511-F531 AromaticContact CE1-CE2 3.96Å; Y511-F531 HydrophobicContact CE1-CE2 3.96Å; Y511-F531 AromaticContact CE2-CE2 3.62Å; Y511-F531 HydrophobicContact CE2-CE2 3.62Å; Y511-F531 HydrophobicContact CE2-CZ 4.13Å; Y511-F531 HydrophobicContact CG-CE2 4.02Å; Y511-F531 AromaticContact CZ-CE2 3.71Å; V527-F531 HydrophobicContact CG1-CD2 4.3Å; V527-F531 PolarHBondContact O-N 2.58Å; F531-G533 VanDerWaalsContact C-N 3.35Å; F531-G533 PolarHBondContact O-N 2.82Å; F531-G533 VanDerWaalsContact O-N 3.11Å; F531-L534 HydrophobicContact CB-CB 3.77Å; F531-L534 HydrophobicContact CB-CD2 3.89Å; F531-L534 HydrophobicContact CG-CD2 4.26Å; F531-L534 VanDerWaalsContact O-CB 3.3Å; F531-L534 WeakPolarHBondContact O-CB 3.49Å; F531-L534 PolarHBondContact O-N 3Å; F531-F556 AromaticContact CD1-CE2 3.89Å; F531-F556 HydrophobicContact CD1-CE2 3.89Å; F531-F556 AromaticContact CD1-CZ 3.79Å; F531-F556 HydrophobicContact CD1-CZ 3.79Å; F531-F556 HydrophobicContact CE1-CE2 4.23Å; F531-F556 AromaticContact CE1-CZ 3.73Å; F531-F556 HydrophobicContact CE1-CZ 3.73Å; F531-F556 HydrophobicContact CG-CE2 4.42Å; F531-F556 HydrophobicContact CG-CZ 4.29Å; F531-F556 HydrophobicContact CZ-CZ 4.18Å; F531-Y566 HydrophobicContact CB-CD2 4.22Å; F531-Y566 HydrophobicContact CB-CE2 4.22Å; F531-Y566 AromaticContact CD1-CD1 3.94Å; F531-Y566 HydrophobicContact CD1-CD1 3.94Å; F531-Y566 HydrophobicContact CD1-CD2 4.19Å; F531-Y566 AromaticContact CD1-CE1 3.89Å; F531-Y566 HydrophobicContact CD1-CE1 3.89Å; F531-Y566 HydrophobicContact CD1-CE2 4.14Å; F531-Y566 HydrophobicContact CD1-CG 4.09Å; F531-Y566 AromaticContact CD1-CZ 4Å; F531-Y566 HydrophobicContact CE1-CD1 4.42Å; F531-Y566 HydrophobicContact CE1-CE1 4.31Å
532	D	93.3	Very high	95.6	Very high	75 Å²	75	44 Å²	44	40%	0.401	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	44.2	48.3	169.7	-53.3	-22.5	0	0	0	115.6	Y566 S597 V598 L599	D532-Y566 HydrophobicContact CB-CE2 4.25Å; D532-Y566 WeakPolarHBondContact OD2-CE2 3.23Å; D532-S597 WeakPolarHBondContact OD2-CB 3.27Å; D532-V598 PolarHBondContact OD2-N 2.87Å; D532-L599 HydrophobicContact CB-CB 3.95Å; D532-L599 WeakPolarHBondContact O-CD2 3.35Å
533	G	93.3	Very high	95.8	Very high	30 Å²	30	41.1 Å²	41.1	31%	0.309	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	92.9	7.9	176.9	0	0	0	0	0	115.9	K528 F531 Q535	K528-G533 VanDerWaalsContact O-CA 3.3Å; K528-G533 WeakPolarHBondContact O-CA 3.39Å; K528-G533 PolarHBondContact O-N 3.46Å; F531-G533 VanDerWaalsContact C-N 3.35Å; F531-G533 PolarHBondContact O-N 2.82Å; F531-G533 VanDerWaalsContact O-N 3.11Å; G533-Q535 WeakPolarHBondContact O-CG 3.45Å; G533-Q535 PolarHBondContact O-N 2.59Å; G533-Q535 PolarHBondContact O-NE2 2.68Å
534	L	96.9	Very high	95.7	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.005	24%	0.235	C	C	.	.			trans	-58.9	122.9	178.2	-177.1	63.4	0	0	0	111.8	V527 K528 F531 I538 F556 L599	V527-L534 HydrophobicContact CG1-CB 4.07Å; V527-L534 HydrophobicContact CG1-CD2 3.86Å; V527-L534 HydrophobicContact CG1-CG 3.93Å; K528-L534 VanDerWaalsContact CA-O 3.27Å; K528-L534 WeakPolarHBondContact CA-O 3.1Å; K528-L534 PolarHBondContact N-O 3.27Å; F531-L534 HydrophobicContact CB-CB 3.77Å; F531-L534 HydrophobicContact CB-CD2 3.89Å; F531-L534 HydrophobicContact CG-CD2 4.26Å; F531-L534 VanDerWaalsContact O-CB 3.3Å; F531-L534 WeakPolarHBondContact O-CB 3.49Å; F531-L534 PolarHBondContact O-N 3Å; L534-I538 HydrophobicContact CD2-CD1 3.68Å; L534-I538 HydrophobicContact CG-CD1 4.13Å; L534-F556 HydrophobicContact CD1-CB 4.14Å; L534-F556 HydrophobicContact CD1-CD2 4.34Å; L534-F556 HydrophobicContact CD1-CG 4.31Å; L534-F556 HydrophobicContact CD2-CB 4.3Å; L534-F556 HydrophobicContact CD2-CD1 3.85Å; L534-F556 HydrophobicContact CD2-CD2 3.5Å; L534-F556 HydrophobicContact CD2-CE1 3.96Å; L534-F556 HydrophobicContact CD2-CE2 3.61Å; L534-F556 HydrophobicContact CD2-CG 3.61Å; L534-F556 HydrophobicContact CD2-CZ 3.83Å; L534-L599 HydrophobicContact CB-CD1 4.47Å; L534-L599 HydrophobicContact CB-CD2 3.86Å; L534-L599 HydrophobicContact CD1-CD1 4.19Å; L534-L599 HydrophobicContact CD1-CD2 4.33Å
535	Q	93.1	Very high	95.4	Very high	98 Å²	98	37.4 Å²	37.4	46%	0.458	22%	0.22	S	C	.	.			trans	-146	156.3	-171.1	-76.3	164.5	102.9	0	0	111.6	K528 G533 K558	K528-Q535 HydrophobicContact CB-CG 4.03Å; K528-Q535 HydrophobicContact CD-CG 3.8Å; K528-Q535 VanDerWaalsContact CE-CD 3.48Å; K528-Q535 HydrophobicContact CG-CG 3.79Å; G533-Q535 WeakPolarHBondContact O-CG 3.45Å; G533-Q535 PolarHBondContact O-N 2.59Å; G533-Q535 PolarHBondContact O-NE2 2.68Å; Q535-K558 WeakPolarHBondContact O-CE 3.4Å; Q535-K558 PolarHBondContact O-NZ 2.92Å
536	G	92.7	Very high	95	Very high	62 Å²	62	36.4 Å²	36.4	64%	0.639	22%	0.217	S	C	*	.	S	Bend	trans	85.9	169.5	-176.9	0	0	0	0	0	113.1	I538	G536-I538 PolarHBondContact O-N 3.24Å; G536-I538 VanDerWaalsContact O-N 3.08Å
537	H	93.8	Very high	94.5	Very high	74 Å²	74	36.6 Å²	36.6	34%	0.343	21%	0.211	S	C	.	.			trans	-68.2	106.9	-172.9	-162.7	-54.1	0	0	0	111.7	K558 R559	H537-K558 VanDerWaalsContact O-CA 3.28Å; H537-K558 WeakPolarHBondContact O-CA 3.23Å; H537-R559 HydrophobicContact CB-CB 4.26Å; H537-R559 VanDerWaalsContact CD2-CZ 3.42Å; H537-R559 PolarHBondContact CD2-NH1 3.11Å; H537-R559 PolarHBondContact CD2-NH2 3.4Å; H537-R559 VanDerWaalsContact CD2-NH2 3.34Å; H537-R559 PolarHBondContact CE1-NH2 3.5Å; H537-R559 VanDerWaalsContact CE1-NH2 3.32Å; H537-R559 PolarHBondContact NE2-NH2 2.95Å; H537-R559 PolarHBondContact O-N 3.28Å; H537-R559 VanDerWaalsContact O-N 3.08Å
538	I	96.3	Very high	93.9	Very high	10 Å²	10	42.8 Å²	42.8	5%	0.051	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	141.5	168.4	-55.2	167.7	0	0	0	107.6	T492 F506 V527 L534 G536 F556 F557	T492-I538 HydrophobicContact CG2-CB 4.46Å; T492-I538 HydrophobicContact CG2-CG2 3.63Å; F506-I538 HydrophobicContact CD1-CD1 3.7Å; F506-I538 HydrophobicContact CE1-CD1 3.84Å; V527-I538 HydrophobicContact CG1-CD1 4.11Å; L534-I538 HydrophobicContact CD2-CD1 3.68Å; L534-I538 HydrophobicContact CG-CD1 4.13Å; G536-I538 PolarHBondContact O-N 3.24Å; G536-I538 VanDerWaalsContact O-N 3.08Å; I538-F556 HydrophobicContact CD1-CD1 4.05Å; I538-F556 HydrophobicContact CD1-CE1 4.41Å; I538-F556 HydrophobicContact CG2-CD1 3.94Å; I538-F557 CarbonylContact C-O 3.58Å; I538-F557 WeakPolarHBondContact CA-O 3.33Å; I538-F557 WeakPolarHBondContact CG2-O 3.45Å
539	T	96.3	Very high	93.3	Very high	6 Å²	6	43.4 Å²	43.4	4%	0.037	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	-26.9	178.4	61.1	0	0	0	0	112.2	Y430 T492 F557 R559 I616 T617	Y430-T539 HydrophobicContact CD1-CG2 3.74Å; Y430-T539 HydrophobicContact CE1-CG2 4.39Å; Y430-T539 HydrophobicContact CG-CG2 4.41Å; T492-T539 PolarHBondContact OG1-O 3.26Å; T539-F557 PolarHBondContact N-O 2.81Å; T539-R559 HydrophobicContact CG2-CB 4.27Å; T539-I616 VanDerWaalsContact CB-O 3.31Å; T539-I616 WeakPolarHBondContact CB-O 3.42Å; T539-I616 PolarHBondContact OG1-O 3.01Å; T539-T617 CarbonylContact O-C 3.58Å
540	A	97.8	Very high	93	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	155.7	171.2	0	0	0	0	0	111.2	T492 F557 I616 A619	T492-A540 WeakPolarHBondContact OG1-CA 3.48Å; A540-F557 HydrophobicContact CB-CB 4.07Å; A540-F557 HydrophobicContact CB-CD2 3.83Å; A540-F557 HydrophobicContact CB-CG 4.32Å; A540-F557 PolarHBondContact N-O 2.81Å; A540-F557 PolarHBondContact O-N 3.33Å; A540-I616 HydrophobicContact CB-CB 4.2Å; A540-I616 HydrophobicContact CB-CG2 3.46Å; A540-I616 VanDerWaalsContact CB-CG2 3.46Å; A540-A619 HydrophobicContact CB-CB 4.09Å
541	A	98.3	Very high	92.8	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.008	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	103	176.4	0	0	0	0	0	110.9	T492 F494 S543 V554 Y555 F556	T492-A541 HydrophobicContact CG2-CB 4.1Å; F494-A541 HydrophobicContact CB-CB 3.92Å; F494-A541 WeakPolarHBondContact CB-O 3.35Å; F494-A541 HydrophobicContact CD1-CB 3.41Å; F494-A541 VanDerWaalsContact CD1-CB 3.41Å; F494-A541 HydrophobicContact CE1-CB 4.21Å; F494-A541 HydrophobicContact CG-CB 3.96Å; A541-S543 PolarHBondContact O-N 2.88Å; A541-V554 HydrophobicContact CB-CG1 3.99Å; A541-Y555 WeakPolarHBondContact CA-O 3.48Å; A541-F556 HydrophobicContact CB-CD1 3.81Å; A541-F556 HydrophobicContact CB-CE1 3.84Å
542	L	98.2	Very high	92.7	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	108	175.9	-176.3	71.6	0	0	0	109.8	V544 V554 Y555 F557 A619 S621 Y633 V635 P651	L542-V544 HydrophobicContact CD2-CG2 4.22Å; L542-V544 HydrophobicContact CG-CG2 4.14Å; L542-V554 CarbonylContact O-C 3.51Å; L542-V554 WeakPolarHBondContact O-CA 3.14Å; L542-Y555 PolarHBondContact N-O 3.12Å; L542-Y555 PolarHBondContact O-N 3.45Å; L542-F557 HydrophobicContact CB-CE2 3.93Å; L542-A619 HydrophobicContact CB-CB 3.83Å; L542-A619 HydrophobicContact CD1-CB 4.02Å; L542-S621 WeakPolarHBondContact CD1-OG 3.41Å; L542-Y633 HydrophobicContact CD1-CD1 4.05Å; L542-Y633 HydrophobicContact CD1-CG 4.47Å; L542-Y633 HydrophobicContact CG-CD1 4.47Å; L542-V635 HydrophobicContact CD2-CG1 4.45Å; L542-P651 HydrophobicContact CD2-CB 4.28Å; L542-P651 HydrophobicContact CD2-CG 4.25Å
543	S	97.4	Very high	92.8	Very high	2 Å²	2	37.9 Å²	37.9	1%	0.014	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	139	171.5	-171.2	0	0	0	0	110.8	T495 C497 A541 S621	T495-S543 WeakPolarHBondContact O-CB 3.41Å; T495-S543 PolarHBondContact O-OG 3.09Å; C497-S543 PolarHBondContact N-OG 3.34Å; C497-S543 PolarHBondContact SG-O 2.85Å; C497-S543 VanDerWaalsContact SG-O 3.39Å; A541-S543 PolarHBondContact O-N 2.88Å; S543-S621 WeakPolarHBondContact O-CB 3.3Å; S543-S621 PolarHBondContact O-OG 2.91Å
544	V	94.9	Very high	93	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	125.3	-177.1	174.1	0	0	0	0	108.8	L542 E552 S553 Y555 Y633 M646	L542-V544 HydrophobicContact CD2-CG2 4.22Å; L542-V544 HydrophobicContact CG-CG2 4.14Å; V544-E552 WeakPolarHBondContact O-CA 3.37Å; V544-E552 WeakPolarHBondContact O-CG 3.45Å; V544-S553 PolarHBondContact N-O 2.65Å; V544-S553 PolarHBondContact O-N 2.78Å; V544-Y555 HydrophobicContact CB-CE2 4.24Å; V544-Y555 HydrophobicContact CG2-CD2 3.9Å; V544-Y555 HydrophobicContact CG2-CE2 3.74Å; V544-Y633 HydrophobicContact CG2-CD1 4.48Å; V544-Y633 HydrophobicContact CG2-CE1 4.05Å; V544-M646 HydrophobicContact CG1-CE 4.21Å; V544-M646 HydrophobicContact CG1-CG 4.14Å; V544-M646 HydrophobicContact CG1-SD 4.14Å; V544-M646 HydrophobicContact CG2-SD 4.05Å
545	P	92	Very high	93	Very high	9 Å²	9	36.6 Å²	36.6	6%	0.058	20%	0.201	C	C	.	.			trans	-64	159.9	-178.7	30	-38.7	0	0	0	112.5	C497 Y547 R550 Y631 Y633	C497-P545 HydrophobicContact CB-CB 3.95Å; C497-P545 HydrophobicContact CB-CG 4.35Å; P545-Y547 PolarHBondContact O-N 3.38Å; P545-R550 PolarHBondContact O-NH1 3.3Å; P545-Y631 HydrophobicContact CB-CD2 4.24Å; P545-Y631 HydrophobicContact CB-CE2 4.19Å; P545-Y631 HydrophobicContact CG-CD2 3.73Å; P545-Y631 HydrophobicContact CG-CE2 4.19Å; P545-Y633 VanDerWaalsContact CD-OH 3.23Å; P545-Y633 WeakPolarHBondContact CD-OH 3.49Å
546	Q	88.6	Confident	93.3	Very high	65 Å²	65	32 Å²	32	30%	0.304	18%	0.179	S	C	.	.			trans	-65.7	126.5	161.8	176.9	168.4	-10.4	0	0	109.1	R550 E552	Q546-R550 WeakPolarHBondContact CA-O 3.43Å; Q546-R550 WeakPolarHBondContact CG-O 3.45Å; Q546-E552 HydrophobicContact CB-CB 4.12Å
547	Y	86.4	Confident	93.5	Very high	73 Å²	73	29 Å²	29	29%	0.286	15%	0.149	S	C	.	.	B	Isolated β-bridge	trans	-148.9	126.7	180	179.3	-109.1	0	0	0	110.5	P545 S549 R550 P628 E629	P545-Y547 PolarHBondContact O-N 3.38Å; Y547-S549 PolarHBondContact O-N 2.87Å; Y547-R550 PolarHBondContact N-O 2.76Å; Y547-R550 WeakPolarHBondContact O-CB 3.1Å; Y547-R550 PolarHBondContact O-N 2.95Å; Y547-P628 HydrophobicContact CE2-CB 4.39Å; Y547-P628 WeakPolarHBondContact CE2-O 3.25Å; Y547-E629 HydrophobicContact CD1-CB 4.01Å; Y547-E629 HydrophobicContact CD2-CB 3.77Å; Y547-E629 HydrophobicContact CE1-CB 4.32Å; Y547-E629 HydrophobicContact CE2-CB 4.12Å; Y547-E629 HydrophobicContact CG-CB 3.72Å
548	L	85.7	Confident	93.6	Very high	137 Å²	137	26.9 Å²	26.9	72%	0.717	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.3	-121.9	-171.2	-56.2	174.6	0	0	0	110.9
549	S	82.9	Confident	93.5	Very high	122 Å²	122	29.8 Å²	29.8	85%	0.853	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-9.7	176.7	55	0	0	0	0	114.6	Y547	Y547-S549 PolarHBondContact O-N 2.87Å
550	R	87.9	Confident	93.2	Very high	37 Å²	37	31.3 Å²	31.3	14%	0.14	17%	0.166	C	C	.	.	B	Isolated β-bridge	trans	-78.1	123	177.8	151.4	170.8	51.6	107.3	-19	110.1	P545 Q546 Y547 E629	P545-R550 PolarHBondContact O-NH1 3.3Å; Q546-R550 WeakPolarHBondContact CA-O 3.43Å; Q546-R550 WeakPolarHBondContact CG-O 3.45Å; Y547-R550 PolarHBondContact N-O 2.76Å; Y547-R550 WeakPolarHBondContact O-CB 3.1Å; Y547-R550 PolarHBondContact O-N 2.95Å; R550-E629 IonicContact CZ-OE2 2.87Å; R550-E629 VanDerWaalsContact CZ-OE2 3.26Å; R550-E629 IonicContact NH1-OE2 3.71Å; R550-E629 PolarHBondContact NH1-OE2 3.05Å; R550-E629 IonicContact NH2-OE1 3.19Å; R550-E629 IonicContact NH2-OE2 2.7Å; R550-E629 PolarHBondContact NH2-OE2 2.02Å
551	K	88.6	Confident	93	Very high	67 Å²	67	31.4 Å²	31.4	29%	0.291	17%	0.167	S	C	.	.	P	Polyproline II helix	trans	-63.3	150.2	171.2	-63.2	-179.8	174.4	-172.4	0	111.7	S553	K551-S553 PolarHBondContact O-N 2.74Å; K551-S553 PolarHBondContact O-OG 3.32Å
552	E	92	Very high	92.9	Very high	2 Å²	2	33 Å²	33	1%	0.009	18%	0.177	C	C	.	.	P	Polyproline II helix	trans	-54.6	130	163.8	-168.3	-164	148.4	0	0	108.9	R496 V544 Q546 Y568 S573	R496-E552 IonicContact CZ-OE1 2.63Å; R496-E552 VanDerWaalsContact CZ-OE1 3.23Å; R496-E552 IonicContact CZ-OE2 2.69Å; R496-E552 IonicContact NE-OE1 3.75Å; R496-E552 PolarHBondContact NE-OE1 2.88Å; R496-E552 IonicContact NE-OE2 2.65Å; R496-E552 IonicContact NH2-OE1 3.72Å; R496-E552 PolarHBondContact NH2-OE1 3Å; R496-E552 IonicContact NH2-OE2 2.84Å; R496-E552 PolarHBondContact NH2-OE2 3.3Å; V544-E552 WeakPolarHBondContact O-CA 3.37Å; V544-E552 WeakPolarHBondContact O-CG 3.45Å; Q546-E552 HydrophobicContact CB-CB 4.12Å; E552-Y568 HydrophobicContact CB-CD2 4.08Å; E552-Y568 HydrophobicContact CG-CD2 3.83Å; E552-Y568 HydrophobicContact CG-CE2 4.34Å; E552-Y568 PolarHBondContact O-N 2.85Å; E552-Y568 WeakPolarHBondContact OE1-CD2 3.44Å; E552-Y568 WeakPolarHBondContact OE1-CE2 3.08Å; E552-S573 WeakPolarHBondContact OE2-CB 3.38Å; E552-S573 PolarHBondContact OE2-OG 3.4Å
553	S	95.1	Very high	92.9	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	157.7	-170.7	-56.6	0	0	0	0	111.7	V544 K551 K565 Y566	V544-S553 PolarHBondContact N-O 2.65Å; V544-S553 PolarHBondContact O-N 2.78Å; K551-S553 PolarHBondContact O-N 2.74Å; K551-S553 PolarHBondContact O-OG 3.32Å; S553-K565 WeakPolarHBondContact OG-CE 3.47Å; S553-Y566 CarbonylContact C-O 3.59Å; S553-Y566 WeakPolarHBondContact CA-O 3.41Å
554	V	97.7	Very high	92.9	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	129.4	166.6	-172.9	0	0	0	0	108.8	F494 A541 L542 F556 K565 Y566 Y568	F494-V554 HydrophobicContact CD1-CG1 4.25Å; F494-V554 HydrophobicContact CD2-CG1 4.46Å; F494-V554 HydrophobicContact CD2-CG2 4.35Å; F494-V554 HydrophobicContact CE1-CG1 4.05Å; F494-V554 HydrophobicContact CE2-CG1 4.31Å; F494-V554 HydrophobicContact CE2-CG2 3.69Å; F494-V554 HydrophobicContact CG-CG1 4.44Å; F494-V554 HydrophobicContact CZ-CG1 4.1Å; F494-V554 HydrophobicContact CZ-CG2 3.83Å; A541-V554 HydrophobicContact CB-CG1 3.99Å; L542-V554 CarbonylContact O-C 3.51Å; L542-V554 WeakPolarHBondContact O-CA 3.14Å; V554-F556 HydrophobicContact CB-CD2 4.38Å; V554-F556 HydrophobicContact CB-CE2 3.86Å; V554-F556 HydrophobicContact CB-CZ 4.07Å; V554-F556 HydrophobicContact CG1-CD1 4.23Å; V554-F556 HydrophobicContact CG1-CD2 4.18Å; V554-F556 HydrophobicContact CG1-CE1 3.86Å; V554-F556 HydrophobicContact CG1-CE2 3.81Å; V554-F556 HydrophobicContact CG1-CG 4.39Å; V554-F556 HydrophobicContact CG1-CZ 3.64Å; V554-K565 WeakPolarHBondContact O-CA 3.23Å; V554-Y566 PolarHBondContact N-O 3.33Å; V554-Y566 PolarHBondContact O-N 3.32Å; V554-Y568 HydrophobicContact CG2-CE2 3.88Å
555	Y	98.2	Very high	93	Very high	4 Å²	4	36.3 Å²	36.3	2%	0.016	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	103.3	173.6	-63.6	-92.1	0	0	0	109.3	A541 L542 V544 F557 V563 K565 W609 M646 G649 P651	A541-Y555 WeakPolarHBondContact CA-O 3.48Å; L542-Y555 PolarHBondContact N-O 3.12Å; L542-Y555 PolarHBondContact O-N 3.45Å; V544-Y555 HydrophobicContact CB-CE2 4.24Å; V544-Y555 HydrophobicContact CG2-CD2 3.9Å; V544-Y555 HydrophobicContact CG2-CE2 3.74Å; Y555-F557 WeakPolarHBondContact O-CD2 3.47Å; Y555-F557 WeakPolarHBondContact O-CE2 3.32Å; Y555-F557 PolarHBondContact O-N 3.04Å; Y555-V563 HydrophobicContact CD1-CG2 4.36Å; Y555-K565 HydrophobicContact CD1-CB 4Å; Y555-K565 HydrophobicContact CD1-CG 4.3Å; Y555-K565 HydrophobicContact CE1-CB 3.85Å; Y555-K565 HydrophobicContact CE1-CD 3.62Å; Y555-K565 HydrophobicContact CE1-CG 3.83Å; Y555-K565 WeakPolarHBondContact OH-CD 3.22Å; Y555-W609 AromaticContact CD1-CH2 3.83Å; Y555-W609 HydrophobicContact CD1-CH2 3.83Å; Y555-W609 HydrophobicContact CD1-CZ2 4.31Å; Y555-W609 HydrophobicContact CE1-CH2 4.24Å; Y555-W609 HydrophobicContact CE1-CZ2 4.39Å; Y555-M646 HydrophobicContact CE2-CE 4.04Å; Y555-M646 WeakPolarHBondContact OH-CE 3.29Å; Y555-G649 PolarHBondContact OH-O 3.35Å; Y555-P651 HydrophobicContact CD1-CG 3.95Å; Y555-P651 HydrophobicContact CD2-CG 3.9Å; Y555-P651 HydrophobicContact CE1-CG 3.92Å; Y555-P651 HydrophobicContact CE2-CG 3.91Å; Y555-P651 HydrophobicContact CG-CG 3.93Å
556	F	98.4	Very high	93.2	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	104.3	175.7	-68	-72.1	0	0	0	109.6	F494 F506 F531 L534 I538 A541 V554 V563 Q564 Y566	F494-F556 HydrophobicContact CD1-CE1 4.29Å; F494-F556 AromaticContact CE1-CE1 3.73Å; F494-F556 HydrophobicContact CE1-CE1 3.73Å; F494-F556 AromaticContact CE1-CZ 3.79Å; F494-F556 HydrophobicContact CE1-CZ 3.79Å; F494-F556 HydrophobicContact CZ-CZ 4.24Å; F506-F556 HydrophobicContact CE1-CE1 4.24Å; F506-F556 HydrophobicContact CE2-CE1 4.32Å; F506-F556 AromaticContact CZ-CE1 3.77Å; F506-F556 HydrophobicContact CZ-CE1 3.77Å; F506-F556 HydrophobicContact CZ-CZ 4.17Å; F531-F556 AromaticContact CD1-CE2 3.89Å; F531-F556 HydrophobicContact CD1-CE2 3.89Å; F531-F556 AromaticContact CD1-CZ 3.79Å; F531-F556 HydrophobicContact CD1-CZ 3.79Å; F531-F556 HydrophobicContact CE1-CE2 4.23Å; F531-F556 AromaticContact CE1-CZ 3.73Å; F531-F556 HydrophobicContact CE1-CZ 3.73Å; F531-F556 HydrophobicContact CG-CE2 4.42Å; F531-F556 HydrophobicContact CG-CZ 4.29Å; F531-F556 HydrophobicContact CZ-CZ 4.18Å; L534-F556 HydrophobicContact CD1-CB 4.14Å; L534-F556 HydrophobicContact CD1-CD2 4.34Å; L534-F556 HydrophobicContact CD1-CG 4.31Å; L534-F556 HydrophobicContact CD2-CB 4.3Å; L534-F556 HydrophobicContact CD2-CD1 3.85Å; L534-F556 HydrophobicContact CD2-CD2 3.5Å; L534-F556 HydrophobicContact CD2-CE1 3.96Å; L534-F556 HydrophobicContact CD2-CE2 3.61Å; L534-F556 HydrophobicContact CD2-CG 3.61Å; L534-F556 HydrophobicContact CD2-CZ 3.83Å; I538-F556 HydrophobicContact CD1-CD1 4.05Å; I538-F556 HydrophobicContact CD1-CE1 4.41Å; I538-F556 HydrophobicContact CG2-CD1 3.94Å; A541-F556 HydrophobicContact CB-CD1 3.81Å; A541-F556 HydrophobicContact CB-CE1 3.84Å; V554-F556 HydrophobicContact CB-CD2 4.38Å; V554-F556 HydrophobicContact CB-CE2 3.86Å; V554-F556 HydrophobicContact CB-CZ 4.07Å; V554-F556 HydrophobicContact CG1-CD1 4.23Å; V554-F556 HydrophobicContact CG1-CD2 4.18Å; V554-F556 HydrophobicContact CG1-CE1 3.86Å; V554-F556 HydrophobicContact CG1-CE2 3.81Å; V554-F556 HydrophobicContact CG1-CG 4.39Å; V554-F556 HydrophobicContact CG1-CZ 3.64Å; F556-V563 CarbonylContact O-C 3.58Å; F556-V563 WeakPolarHBondContact O-CA 3.34Å; F556-Q564 PolarHBondContact N-O 2.85Å; F556-Q564 PolarHBondContact O-N 2.98Å; F556-Y566 HydrophobicContact CE2-CG 4.26Å
557	F	97.7	Very high	93.5	Very high	1 Å²	1	33.6 Å²	33.6	0%	0.004	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	145.4	170.7	-57.5	-84.5	0	0	0	109.8	I538 T539 A540 L542 Y555 V563 I605 W609 F612 I616 A619	I538-F557 CarbonylContact C-O 3.58Å; I538-F557 WeakPolarHBondContact CA-O 3.33Å; I538-F557 WeakPolarHBondContact CG2-O 3.45Å; T539-F557 PolarHBondContact N-O 2.81Å; A540-F557 HydrophobicContact CB-CB 4.07Å; A540-F557 HydrophobicContact CB-CD2 3.83Å; A540-F557 HydrophobicContact CB-CG 4.32Å; A540-F557 PolarHBondContact N-O 2.81Å; A540-F557 PolarHBondContact O-N 3.33Å; L542-F557 HydrophobicContact CB-CE2 3.93Å; Y555-F557 WeakPolarHBondContact O-CD2 3.47Å; Y555-F557 WeakPolarHBondContact O-CE2 3.32Å; Y555-F557 PolarHBondContact O-N 3.04Å; F557-V563 HydrophobicContact CD1-CB 3.91Å; F557-V563 HydrophobicContact CD1-CG2 3.73Å; F557-V563 HydrophobicContact CE1-CB 4.18Å; F557-V563 HydrophobicContact CE1-CG2 3.76Å; F557-V563 HydrophobicContact CG-CG2 4.26Å; F557-V563 HydrophobicContact CZ-CG2 4.31Å; F557-I605 HydrophobicContact CD1-CD1 3.83Å; F557-I605 HydrophobicContact CE1-CD1 4.37Å; F557-W609 HydrophobicContact CE1-CH2 4.36Å; F557-W609 AromaticContact CE1-CZ3 3.78Å; F557-W609 HydrophobicContact CE1-CZ3 3.78Å; F557-W609 HydrophobicContact CZ-CZ3 4.16Å; F557-F612 AromaticContact CE1-CE1 3.66Å; F557-F612 HydrophobicContact CE1-CE1 3.66Å; F557-F612 HydrophobicContact CE1-CZ 4.12Å; F557-F612 HydrophobicContact CZ-CE1 4.03Å; F557-F612 HydrophobicContact CZ-CZ 4.02Å; F557-I616 HydrophobicContact CB-CB 3.95Å; F557-I616 HydrophobicContact CB-CG1 4.36Å; F557-I616 HydrophobicContact CB-CG2 4.48Å; F557-I616 HydrophobicContact CD1-CB 4.05Å; F557-I616 HydrophobicContact CD1-CG1 3.54Å; F557-I616 HydrophobicContact CD2-CB 4.29Å; F557-I616 HydrophobicContact CD2-CG1 4.45Å; F557-I616 HydrophobicContact CD2-CG2 4.07Å; F557-I616 HydrophobicContact CE1-CG1 3.86Å; F557-I616 HydrophobicContact CE2-CG2 4.47Å; F557-I616 HydrophobicContact CG-CB 3.83Å; F557-I616 HydrophobicContact CG-CG1 3.86Å; F557-I616 HydrophobicContact CG-CG2 4.13Å; F557-I616 HydrophobicContact CZ-CG1 4.45Å; F557-A619 HydrophobicContact CE2-CB 4.48Å
558	K	95.9	Very high	93.7	Very high	29 Å²	29	30.7 Å²	30.7	13%	0.126	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	152.4	-167.7	-51.7	172.5	72.7	177.8	0	110.8	Q535 H537 G561 T562 Q564	Q535-K558 WeakPolarHBondContact O-CE 3.4Å; Q535-K558 PolarHBondContact O-NZ 2.92Å; H537-K558 VanDerWaalsContact O-CA 3.28Å; H537-K558 WeakPolarHBondContact O-CA 3.23Å; K558-G561 PolarHBondContact O-N 3.41Å; K558-T562 PolarHBondContact N-O 2.96Å; K558-T562 PolarHBondContact O-N 3.05Å; K558-Q564 HydrophobicContact CD-CG 4.4Å
559	R	93.1	Very high	93.5	Very high	70 Å²	70	27.8 Å²	27.8	26%	0.264	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	148.4	172	-171.5	171.6	-68.4	146.4	5.4	110.7	D425 L427 Y430 H537 T539 G561	D425-R559 WeakPolarHBondContact OD2-CG 3.21Å; L427-R559 VanDerWaalsContact CD1-CZ 3.47Å; Y430-R559 HydrophobicContact CD2-CG 4.09Å; Y430-R559 HydrophobicContact CE2-CG 4Å; Y430-R559 HydrophobicContact CG-CG 4.45Å; H537-R559 HydrophobicContact CB-CB 4.26Å; H537-R559 VanDerWaalsContact CD2-CZ 3.42Å; H537-R559 PolarHBondContact CD2-NH1 3.11Å; H537-R559 PolarHBondContact CD2-NH2 3.4Å; H537-R559 VanDerWaalsContact CD2-NH2 3.34Å; H537-R559 PolarHBondContact CE1-NH2 3.5Å; H537-R559 VanDerWaalsContact CE1-NH2 3.32Å; H537-R559 PolarHBondContact NE2-NH2 2.95Å; H537-R559 PolarHBondContact O-N 3.28Å; H537-R559 VanDerWaalsContact O-N 3.08Å; T539-R559 HydrophobicContact CG2-CB 4.27Å; R559-G561 VanDerWaalsContact C-N 3.29Å
560	G	90.6	Very high	92.9	Very high	38 Å²	38	28.2 Å²	28.2	39%	0.392	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.8	10.6	-168	0	0	0	0	0	114.9	D425 Y430	D425-G560 PolarHBondContact OD2-N 3.18Å; Y430-G560 PolarHBondContact OH-N 2.98Å
561	G	93.9	Very high	91.8	Very high	3 Å²	3	29.2 Å²	29.2	3%	0.031	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.7	43.2	173	0	0	0	0	0	114.9	Y430 K558 R559 I605 S614	Y430-G561 PolarHBondContact OH-N 2.93Å; K558-G561 PolarHBondContact O-N 3.41Å; R559-G561 VanDerWaalsContact C-N 3.29Å; G561-I605 WeakPolarHBondContact O-CG1 3.17Å; G561-I605 PolarHBondContact O-N 3.2Å; G561-S614 WeakPolarHBondContact CA-O 3.33Å
562	T	96.7	Very high	90.7	Very high	35 Å²	35	29.4 Å²	29.4	22%	0.215	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	157.1	171.6	59	0	0	0	0	111.3	K558 I603	K558-T562 PolarHBondContact N-O 2.96Å; K558-T562 PolarHBondContact O-N 3.05Å; T562-I603 CarbonylContact C-O 3.57Å; T562-I603 VanDerWaalsContact CA-O 3.27Å; T562-I603 WeakPolarHBondContact CA-O 3.45Å; T562-I603 WeakPolarHBondContact CB-O 3.48Å
563	V	97.4	Very high	89.4	Confident	2 Å²	2	30.2 Å²	30.2	1%	0.012	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	143.5	176.3	62.2	0	0	0	0	110.3	Y555 F556 F557 I603 I605 W609	Y555-V563 HydrophobicContact CD1-CG2 4.36Å; F556-V563 CarbonylContact O-C 3.58Å; F556-V563 WeakPolarHBondContact O-CA 3.34Å; F557-V563 HydrophobicContact CD1-CB 3.91Å; F557-V563 HydrophobicContact CD1-CG2 3.73Å; F557-V563 HydrophobicContact CE1-CB 4.18Å; F557-V563 HydrophobicContact CE1-CG2 3.76Å; F557-V563 HydrophobicContact CG-CG2 4.26Å; F557-V563 HydrophobicContact CZ-CG2 4.31Å; V563-I603 HydrophobicContact CG1-CD1 4.05Å; V563-I603 HydrophobicContact CG1-CG1 3.56Å; V563-I603 PolarHBondContact N-O 3.2Å; V563-I603 PolarHBondContact O-N 3.14Å; V563-I605 HydrophobicContact CB-CD1 4.23Å; V563-I605 HydrophobicContact CB-CG1 4.07Å; V563-I605 HydrophobicContact CG1-CD1 4.49Å; V563-I605 HydrophobicContact CG1-CG1 3.81Å; V563-W609 HydrophobicContact CB-CH2 4.43Å; V563-W609 HydrophobicContact CG1-CH2 3.75Å; V563-W609 HydrophobicContact CG1-CZ2 3.75Å; V563-W609 HydrophobicContact CG1-CZ3 4.18Å; V563-W609 HydrophobicContact CG2-CH2 3.98Å
564	Q	97.3	Very high	87.9	Confident	22 Å²	22	32.5 Å²	32.5	10%	0.103	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	136.2	170	-73	-173.1	-98	0	0	110	F556 K558 L599 E600 A602	F556-Q564 PolarHBondContact N-O 2.85Å; F556-Q564 PolarHBondContact O-N 2.98Å; K558-Q564 HydrophobicContact CD-CG 4.4Å; Q564-L599 HydrophobicContact CB-CD1 3.9Å; Q564-E600 PolarHBondContact NE2-O 2.89Å; Q564-A602 VanDerWaalsContact CG-CA 3.49Å; Q564-A602 HydrophobicContact CG-CB 3.64Å
565	K	97.2	Very high	86.2	Confident	46 Å²	46	42.2 Å²	42.2	20%	0.2	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	119.2	174.9	174.8	176.4	167.5	-110.9	0	109.2	S553 V554 Y555 S567 E600	S553-K565 WeakPolarHBondContact OG-CE 3.47Å; V554-K565 WeakPolarHBondContact O-CA 3.23Å; Y555-K565 HydrophobicContact CD1-CB 4Å; Y555-K565 HydrophobicContact CD1-CG 4.3Å; Y555-K565 HydrophobicContact CE1-CB 3.85Å; Y555-K565 HydrophobicContact CE1-CD 3.62Å; Y555-K565 HydrophobicContact CE1-CG 3.83Å; Y555-K565 WeakPolarHBondContact OH-CD 3.22Å; K565-S567 WeakPolarHBondContact CE-OG 3.34Å; K565-S567 PolarHBondContact NZ-OG 2.96Å; K565-E600 HydrophobicContact CB-CB 4.29Å; K565-E600 WeakPolarHBondContact CD-OE2 3.3Å; K565-E600 IonicContact NZ-OE1 3.26Å; K565-E600 PolarHBondContact NZ-OE1 2.76Å; K565-E600 IonicContact NZ-OE2 3.92Å; K565-E600 WeakPolarHBondContact O-CB 3.36Å; K565-E600 PolarHBondContact O-N 2.91Å
566	Y	96.8	Very high	84.7	Confident	13 Å²	13	45.9 Å²	45.9	5%	0.051	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	118	170.5	176.8	-94.4	0	0	0	108.7	F531 D532 S553 V554 F556 Y568 S597 V598 L599	F531-Y566 HydrophobicContact CB-CD2 4.22Å; F531-Y566 HydrophobicContact CB-CE2 4.22Å; F531-Y566 AromaticContact CD1-CD1 3.94Å; F531-Y566 HydrophobicContact CD1-CD1 3.94Å; F531-Y566 HydrophobicContact CD1-CD2 4.19Å; F531-Y566 AromaticContact CD1-CE1 3.89Å; F531-Y566 HydrophobicContact CD1-CE1 3.89Å; F531-Y566 HydrophobicContact CD1-CE2 4.14Å; F531-Y566 HydrophobicContact CD1-CG 4.09Å; F531-Y566 AromaticContact CD1-CZ 4Å; F531-Y566 HydrophobicContact CE1-CD1 4.42Å; F531-Y566 HydrophobicContact CE1-CE1 4.31Å; D532-Y566 HydrophobicContact CB-CE2 4.25Å; D532-Y566 WeakPolarHBondContact OD2-CE2 3.23Å; S553-Y566 CarbonylContact C-O 3.59Å; S553-Y566 WeakPolarHBondContact CA-O 3.41Å; V554-Y566 PolarHBondContact N-O 3.33Å; V554-Y566 PolarHBondContact O-N 3.32Å; F556-Y566 HydrophobicContact CE2-CG 4.26Å; Y566-Y568 HydrophobicContact CD1-CE1 4.44Å; Y566-Y568 HydrophobicContact CD1-CE2 4.3Å; Y566-Y568 AromaticContact CE1-CD1 3.78Å; Y566-Y568 HydrophobicContact CE1-CD1 3.78Å; Y566-Y568 HydrophobicContact CE1-CD2 4.35Å; Y566-Y568 AromaticContact CE1-CE1 3.56Å; Y566-Y568 HydrophobicContact CE1-CE1 3.56Å; Y566-Y568 HydrophobicContact CE1-CE2 4.17Å; Y566-Y568 HydrophobicContact CE1-CG 4.16Å; Y566-Y568 AromaticContact CE1-CZ 3.75Å; Y566-S597 WeakPolarHBondContact OH-CB 3.19Å; Y566-S597 PolarHBondContact OH-OG 2.85Å; Y566-V598 CarbonylContact C-O 3.59Å; Y566-V598 WeakPolarHBondContact CA-O 3.35Å; Y566-L599 HydrophobicContact CD2-CB 4.24Å; Y566-L599 HydrophobicContact CD2-CD1 4.32Å
567	S	93.6	Very high	82.4	Confident	4 Å²	4	50.1 Å²	50.1	3%	0.028	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	128.2	179.2	-60.4	0	0	0	0	110.7	K565 S597 V598 E600	K565-S567 WeakPolarHBondContact CE-OG 3.34Å; K565-S567 PolarHBondContact NZ-OG 2.96Å; S567-S597 WeakPolarHBondContact O-CA 3.1Å; S567-V598 PolarHBondContact N-O 3.38Å; S567-V598 PolarHBondContact O-N 3.15Å; S567-E600 PolarHBondContact OG-OE1 2.98Å
568	Y	90.8	Very high	80.1	Confident	13 Å²	13	59.9 Å²	59.9	5%	0.051	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-74.5	162.9	175	-70.1	-82.5	0	0	0	112.7	R496 E552 V554 Y566 F570	R496-Y568 WeakPolarHBondContact CD-OH 3.45Å; R496-Y568 VanDerWaalsContact CZ-CZ 3.48Å; R496-Y568 VanDerWaalsContact NE-CZ 3.31Å; R496-Y568 PolarHBondContact NE-OH 2.9Å; E552-Y568 HydrophobicContact CB-CD2 4.08Å; E552-Y568 HydrophobicContact CG-CD2 3.83Å; E552-Y568 HydrophobicContact CG-CE2 4.34Å; E552-Y568 PolarHBondContact O-N 2.85Å; E552-Y568 WeakPolarHBondContact OE1-CD2 3.44Å; E552-Y568 WeakPolarHBondContact OE1-CE2 3.08Å; V554-Y568 HydrophobicContact CG2-CE2 3.88Å; Y566-Y568 HydrophobicContact CD1-CE1 4.44Å; Y566-Y568 HydrophobicContact CD1-CE2 4.3Å; Y566-Y568 AromaticContact CE1-CD1 3.78Å; Y566-Y568 HydrophobicContact CE1-CD1 3.78Å; Y566-Y568 HydrophobicContact CE1-CD2 4.35Å; Y566-Y568 AromaticContact CE1-CE1 3.56Å; Y566-Y568 HydrophobicContact CE1-CE1 3.56Å; Y566-Y568 HydrophobicContact CE1-CE2 4.17Å; Y566-Y568 HydrophobicContact CE1-CG 4.16Å; Y566-Y568 AromaticContact CE1-CZ 3.75Å; Y568-F570 PolarHBondContact O-N 2.89Å
569	Q	82.8	Confident	77.5	Confident	75 Å²	75	64.7 Å²	64.7	35%	0.35	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-64.5	129.3	173.5	-52.3	-161.5	0.7	0	0	111.3	G571 T572 A595	Q569-G571 PolarHBondContact O-N 2.91Å; Q569-T572 HydrophobicContact CB-CG2 3.55Å; Q569-T572 HydrophobicContact CG-CG2 4.32Å; Q569-T572 PolarHBondContact O-N 2.74Å; Q569-T572 VanDerWaalsContact O-N 3.11Å; Q569-T572 PolarHBondContact O-OG1 2.68Å; Q569-A595 VanDerWaalsContact CA-O 3.3Å; Q569-A595 WeakPolarHBondContact CA-O 3.45Å; Q569-A595 WeakPolarHBondContact CB-O 3.49Å; Q569-A595 WeakPolarHBondContact CG-O 3.49Å
570	F	70.1	Confident	75.1	Confident	132 Å²	132	65.1 Å²	65.1	58%	0.579	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	125.4	179.3	-176	-81.9	0	0	0	110.4	Y568 A595	Y568-F570 PolarHBondContact O-N 2.89Å; F570-A595 HydrophobicContact CB-CB 4.45Å
571	G	63.8	Low	72.6	Confident	58 Å²	58	71.1 Å²	71.1	60%	0.598	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.4	-1.7	-178.8	0	0	0	0	0	115.8	Q569	Q569-G571 PolarHBondContact O-N 2.91Å
572	T	65	Low	70.2	Confident	71 Å²	71	76 Å²	76	44%	0.436	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-18	168.5	61.9	0	0	0	0	113.5	Q569 P574	Q569-T572 HydrophobicContact CB-CG2 3.55Å; Q569-T572 HydrophobicContact CG-CG2 4.32Å; Q569-T572 PolarHBondContact O-N 2.74Å; Q569-T572 VanDerWaalsContact O-N 3.11Å; Q569-T572 PolarHBondContact O-OG1 2.68Å; T572-P574 VanDerWaalsContact O-CD 3.28Å; T572-P574 WeakPolarHBondContact O-CD 3.47Å
573	S	64.8	Low	67.4	Low	18 Å²	18	79.1 Å²	79.1	13%	0.126	46%	0.457	C	S	.	.	S	Bend	trans	-64.9	115.7	164.8	-48.4	0	0	0	0	108.4	E552	E552-S573 WeakPolarHBondContact OE2-CB 3.38Å; E552-S573 PolarHBondContact OE2-OG 3.4Å
574	P	65.1	Low	64.6	Low	49 Å²	49	84.7 Å²	84.7	32%	0.318	49%	0.491	S	S	.	.	P	Polyproline II helix	trans	-61.9	142.8	-179.5	-24.9	37.4	0	0	0	110.8	C499 Q500 T572	C499-P574 PolarHBondContact SG-O 2.81Å; Q500-P574 HydrophobicContact CG-CG 4Å; T572-P574 VanDerWaalsContact O-CD 3.28Å; T572-P574 WeakPolarHBondContact O-CD 3.47Å
575	K	62.1	Low	62	Low	203 Å²	203	93.5 Å²	93.5	88%	0.883	53%	0.525	S	S	*	.	P	Polyproline II helix	trans	-72.1	131.9	173	-66.4	-176.9	180	-179.9	0	109.3
576	C	65.3	Low	59.2	Low	82 Å²	82	97 Å²	97	55%	0.554	55%	0.55	S	S	*	*	P	Polyproline II helix	trans	-68.3	156.8	171.2	-74.5	0	0	0	0	109.1	C499 R578	C499-C576 HydrophobicContact CB-CB 4.12Å; C499-C576 WeakPolarHBondContact CB-SG 3.3Å; C499-C576 WeakPolarHBondContact SG-CA 3.31Å; C499-C576 WeakPolarHBondContact SG-CB 3.4Å; C499-C576 PolarHBondContact SG-N 3.14Å; C499-C576 CovalentContact SG-SG 2.03Å; C499-C576 PolarHBondContact SG-SG 2.87Å; C576-R578 PolarHBondContact O-N 2.87Å
577	G	50.5	Low	56.7	Low	88 Å²	88	102.6 Å²	102.6	91%	0.907	59%	0.585	S	S	*	*	S	Bend	trans	-69.7	49.2	-171.3	0	0	0	0	0	116.6
578	R	49.3	Very low	54.3	Low	206 Å²	206	113.9 Å²	113.9	78%	0.777	63%	0.627	S	S	*	*			trans	-132.8	85.5	167.8	-69.6	-172	-179.6	-179.6	-0.1	109.6	C576 A580	C576-R578 PolarHBondContact O-N 2.87Å; R578-A580 VanDerWaalsContact C-N 3.31Å; R578-A580 PolarHBondContact O-N 2.7Å
579	T	42	Very low	52.1	Low	130 Å²	130	117.5 Å²	117.5	80%	0.798	66%	0.66	S	S	*	*			trans	-70.6	88.4	163.6	41.9	0	0	0	0	109.3	N581	T579-N581 PolarHBondContact O-N 3.03Å
580	A	41.8	Very low	50.5	Low	80 Å²	80	125 Å²	125	66%	0.661	69%	0.685	S	S	*	*			trans	-62.3	118.8	161.6	0	0	0	0	0	108.3	R578 V582	R578-A580 VanDerWaalsContact C-N 3.31Å; R578-A580 PolarHBondContact O-N 2.7Å; A580-V582 HydrophobicContact CB-CG2 4.17Å; A580-V582 PolarHBondContact O-N 3.11Å
581	N	38.7	Very low	49.4	Very low	163 Å²	163	127.4 Å²	127.4	87%	0.872	70%	0.703	S	S	*	*			trans	-73.5	69.3	175.2	-82.8	-22.4	0	0	0	110.4	T579	T579-N581 PolarHBondContact O-N 3.03Å
582	V	44.1	Very low	48.6	Very low	106 Å²	106	130.9 Å²	130.9	64%	0.642	71%	0.712	S	S	*	*			trans	-78.3	121.1	169.4	-175	0	0	0	0	107.8	A580 V584	A580-V582 HydrophobicContact CB-CG2 4.17Å; A580-V582 PolarHBondContact O-N 3.11Å; V582-V584 PolarHBondContact O-N 3.1Å; V582-V584 VanDerWaalsContact O-N 3.14Å
583	P	37.9	Very low	47.9	Very low	101 Å²	101	138.6 Å²	138.6	66%	0.656	73%	0.733	S	S	*	*			trans	-62.6	118.1	177.3	25	-33	0	0	0	109.8	Y585	P583-Y585 PolarHBondContact O-N 2.65Å; P583-Y585 VanDerWaalsContact O-N 3.08Å
584	V	37.1	Very low	47	Very low	119 Å²	119	146.4 Å²	146.4	72%	0.721	77%	0.768	S	S	*	*			trans	-78.6	97.8	-174.1	-177.8	0	0	0	0	110	V582 T586	V582-V584 PolarHBondContact O-N 3.1Å; V582-V584 VanDerWaalsContact O-N 3.14Å; V584-T586 HydrophobicContact CG1-CG2 3.99Å; V584-T586 PolarHBondContact O-N 2.97Å; V584-T586 VanDerWaalsContact O-N 3.07Å
585	Y	42.3	Very low	46.5	Very low	206 Å²	206	146 Å²	146	81%	0.808	77%	0.769	S	S	*	*			trans	-62.6	106.8	158.5	-70.8	-79.2	0	0	0	108.6	P583 V587	P583-Y585 PolarHBondContact O-N 2.65Å; P583-Y585 VanDerWaalsContact O-N 3.08Å; Y585-V587 VanDerWaalsContact C-N 3.26Å; Y585-V587 PolarHBondContact O-N 2.84Å
586	T	38.4	Very low	47	Very low	121 Å²	121	140.6 Å²	140.6	74%	0.742	75%	0.753	S	S	*	*			trans	-77.1	69.3	-171.8	43.3	0	0	0	0	112.6	V584 R588	V584-T586 HydrophobicContact CG1-CG2 3.99Å; V584-T586 PolarHBondContact O-N 2.97Å; V584-T586 VanDerWaalsContact O-N 3.07Å; T586-R588 PolarHBondContact O-N 3.33Å
587	V	45.3	Very low	47.9	Very low	130 Å²	130	137.7 Å²	137.7	79%	0.788	73%	0.733	S	S	*	*			trans	-59.1	112.5	166.1	-178.1	0	0	0	0	108.2	Y585 A589	Y585-V587 VanDerWaalsContact C-N 3.26Å; Y585-V587 PolarHBondContact O-N 2.84Å; V587-A589 PolarHBondContact O-N 3.08Å
588	R	43.6	Very low	49.9	Very low	240 Å²	240	136.7 Å²	136.7	91%	0.906	71%	0.709	S	S	*	*			trans	-68.9	75.3	177	-74.8	-179.3	170.4	171.1	-3.2	110.9	T586 R590	T586-R588 PolarHBondContact O-N 3.33Å; R588-R590 PolarHBondContact O-N 3.25Å
589	A	45.2	Very low	52.1	Low	90 Å²	90	128.3 Å²	128.3	74%	0.744	68%	0.68	S	S	*	*			trans	-58.6	123.2	168.9	0	0	0	0	0	109.2	V587	V587-A589 PolarHBondContact O-N 3.08Å
590	R	48.8	Very low	54.6	Low	232 Å²	232	125.3 Å²	125.3	88%	0.875	66%	0.657	S	S	*	*			trans	-59.2	146.7	174.3	-66.8	177.8	178.7	166.4	-0.9	109.2	R588 V592	R588-R590 PolarHBondContact O-N 3.25Å; R590-V592 VanDerWaalsContact C-N 3.33Å; R590-V592 PolarHBondContact O-N 3.29Å
591	L	46.4	Very low	57.1	Low	183 Å²	183	126.6 Å²	126.6	96%	0.958	66%	0.658	S	S	*	*			trans	-66.8	88.8	-178.5	-152.4	89.1	0	0	0	110.6
592	V	47.3	Very low	59.8	Low	130 Å²	130	121.5 Å²	121.5	79%	0.788	64%	0.639	S	S	*	*			trans	-64.1	138.9	170	-178.6	0	0	0	0	107.8	R590	R590-V592 VanDerWaalsContact C-N 3.33Å; R590-V592 PolarHBondContact O-N 3.29Å
593	R	49.8	Very low	62.3	Low	233 Å²	233	119.5 Å²	119.5	88%	0.879	62%	0.624	S	S	*	*			trans	-45.7	140.2	-176.8	-63.7	177.6	179.5	170.9	-1.2	111.2	A595	R593-A595 PolarHBondContact O-N 2.96Å; R593-A595 VanDerWaalsContact O-N 3.12Å
594	Q	46.2	Very low	65	Low	183 Å²	183	117 Å²	117	86%	0.855	61%	0.605	S	S	*	*			trans	-39.6	118.7	-179.9	-74.9	174.7	-37.5	0	0	111	V596	Q594-V596 VanDerWaalsContact C-N 3.32Å; Q594-V596 PolarHBondContact O-N 2.83Å
595	A	54.7	Low	67.8	Low	41 Å²	41	111.4 Å²	111.4	34%	0.339	57%	0.571	S	S	.	*			trans	-78.1	81.6	-171.2	0	0	0	0	0	110.5	Q569 F570 R593	Q569-A595 VanDerWaalsContact CA-O 3.3Å; Q569-A595 WeakPolarHBondContact CA-O 3.45Å; Q569-A595 WeakPolarHBondContact CB-O 3.49Å; Q569-A595 WeakPolarHBondContact CG-O 3.49Å; F570-A595 HydrophobicContact CB-CB 4.45Å; R593-A595 PolarHBondContact O-N 2.96Å; R593-A595 VanDerWaalsContact O-N 3.12Å
596	V	71.4	Confident	70.2	Confident	89 Å²	89	108.8 Å²	108.8	54%	0.539	56%	0.56	S	S	.	*			trans	-57.8	158.7	174.6	-163.6	0	0	0	0	110.7	Q594	Q594-V596 VanDerWaalsContact C-N 3.32Å; Q594-V596 PolarHBondContact O-N 2.83Å
597	S	85	Confident	72.8	Confident	21 Å²	21	113.7 Å²	113.7	15%	0.147	57%	0.565	C	S	.	*			trans	-60.7	150	165.3	-63.5	0	0	0	0	108.8	D532 Y566 S567	D532-S597 WeakPolarHBondContact OD2-CB 3.27Å; Y566-S597 WeakPolarHBondContact OH-CB 3.19Å; Y566-S597 PolarHBondContact OH-OG 2.85Å; S567-S597 WeakPolarHBondContact O-CA 3.1Å
598	V	92	Very high	75	Confident	66 Å²	66	110.2 Å²	110.2	40%	0.4	55%	0.546	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	116.5	-179.7	179.4	0	0	0	0	109.8	D532 Y566 S567 E600	D532-V598 PolarHBondContact OD2-N 2.87Å; Y566-V598 CarbonylContact C-O 3.59Å; Y566-V598 WeakPolarHBondContact CA-O 3.35Å; S567-V598 PolarHBondContact N-O 3.38Å; S567-V598 PolarHBondContact O-N 3.15Å; V598-E600 HydrophobicContact CG1-CG 4.29Å
599	L	95.6	Very high	77.3	Confident	31 Å²	31	99.9 Å²	99.9	16%	0.162	51%	0.507	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	118.4	158.5	-173.6	69.9	0	0	0	109.6	D532 L534 Q564 Y566	D532-L599 HydrophobicContact CB-CB 3.95Å; D532-L599 WeakPolarHBondContact O-CD2 3.35Å; L534-L599 HydrophobicContact CB-CD1 4.47Å; L534-L599 HydrophobicContact CB-CD2 3.86Å; L534-L599 HydrophobicContact CD1-CD1 4.19Å; L534-L599 HydrophobicContact CD1-CD2 4.33Å; Q564-L599 HydrophobicContact CB-CD1 3.9Å; Y566-L599 HydrophobicContact CD2-CB 4.24Å; Y566-L599 HydrophobicContact CD2-CD1 4.32Å
600	E	94.8	Very high	79.4	Confident	66 Å²	66	105.9 Å²	105.9	31%	0.308	52%	0.516	S	S	.	.	P	Polyproline II helix	trans	-78.5	156.4	176.9	-68.4	170.2	-150.6	0	0	111.7	Q564 K565 S567 V598	Q564-E600 PolarHBondContact NE2-O 2.89Å; K565-E600 HydrophobicContact CB-CB 4.29Å; K565-E600 WeakPolarHBondContact CD-OE2 3.3Å; K565-E600 IonicContact NZ-OE1 3.26Å; K565-E600 PolarHBondContact NZ-OE1 2.76Å; K565-E600 IonicContact NZ-OE2 3.92Å; K565-E600 WeakPolarHBondContact O-CB 3.36Å; K565-E600 PolarHBondContact O-N 2.91Å; S567-E600 PolarHBondContact OG-OE1 2.98Å; V598-E600 HydrophobicContact CG1-CG 4.29Å
601	P	95.1	Very high	81.3	Confident	107 Å²	107	98.1 Å²	98.1	70%	0.695	51%	0.509	S	S	*	.	P	Polyproline II helix	trans	-55.5	149.3	177.9	-26.4	35.5	0	0	0	113.4	I603	P601-I603 PolarHBondContact O-N 3.27Å
602	A	95.5	Very high	83.6	Confident	56 Å²	56	90.1 Å²	90.1	46%	0.463	47%	0.466	S	S	.	.	P	Polyproline II helix	trans	-69.3	123.6	176.2	0	0	0	0	0	111.3	Q564	Q564-A602 VanDerWaalsContact CG-CA 3.49Å; Q564-A602 HydrophobicContact CG-CB 3.64Å
603	I	94.9	Very high	85.8	Confident	65 Å²	65	84.6 Å²	84.6	33%	0.333	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	146.1	174.6	62.6	177.5	0	0	0	110.4	T562 V563 P601 W609	T562-I603 CarbonylContact C-O 3.57Å; T562-I603 VanDerWaalsContact CA-O 3.27Å; T562-I603 WeakPolarHBondContact CA-O 3.45Å; T562-I603 WeakPolarHBondContact CB-O 3.48Å; V563-I603 HydrophobicContact CG1-CD1 4.05Å; V563-I603 HydrophobicContact CG1-CG1 3.56Å; V563-I603 PolarHBondContact N-O 3.2Å; V563-I603 PolarHBondContact O-N 3.14Å; P601-I603 PolarHBondContact O-N 3.27Å; I603-W609 HydrophobicContact CD1-CZ2 4.06Å; I603-W609 VanDerWaalsContact CD1-NE1 3.35Å
604	N	95.9	Very high	87.8	Confident	48 Å²	48	74.3 Å²	74.3	26%	0.257	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	120.7	178.4	-179	-86.7	0	0	0	110.3	R606 R607 S608	N604-R606 PolarHBondContact O-N 3.04Å; N604-R606 PolarHBondContact OD1-N 3.18Å; N604-R607 HydrophobicContact CB-CB 4.37Å; N604-R607 HydrophobicContact CB-CG 4.46Å; N604-R607 PolarHBondContact O-N 3.28Å; N604-R607 VanDerWaalsContact O-N 3.16Å; N604-R607 PolarHBondContact OD1-N 3.34Å; N604-S608 WeakPolarHBondContact O-CB 3.13Å; N604-S608 PolarHBondContact O-N 3.27Å; N604-S608 PolarHBondContact O-OG 2.98Å
605	I	94.8	Very high	90	Very high	1 Å²	1	66.2 Å²	66.2	1%	0.005	36%	0.36	C	S	.	.	H	α-helix	trans	-61.9	-44.1	-170.5	-58.1	165.2	0	0	0	110.7	F557 G561 V563 R607 S608 W609 F612	F557-I605 HydrophobicContact CD1-CD1 3.83Å; F557-I605 HydrophobicContact CE1-CD1 4.37Å; G561-I605 WeakPolarHBondContact O-CG1 3.17Å; G561-I605 PolarHBondContact O-N 3.2Å; V563-I605 HydrophobicContact CB-CD1 4.23Å; V563-I605 HydrophobicContact CB-CG1 4.07Å; V563-I605 HydrophobicContact CG1-CD1 4.49Å; V563-I605 HydrophobicContact CG1-CG1 3.81Å; I605-R607 VanDerWaalsContact C-N 3.27Å; I605-R607 PolarHBondContact O-N 3.27Å; I605-S608 PolarHBondContact O-N 2.96Å; I605-W609 HydrophobicContact CG2-CB 4.22Å; I605-W609 HydrophobicContact CG2-CE3 4.37Å; I605-W609 PolarHBondContact O-N 2.94Å; I605-F612 HydrophobicContact CG2-CB 4.25Å; I605-F612 HydrophobicContact CG2-CD1 3.82Å; I605-F612 HydrophobicContact CG2-CG 4.47Å
606	R	92.9	Very high	91.9	Very high	152 Å²	152	64.3 Å²	64.3	57%	0.574	34%	0.344	S	S	*	.	H	α-helix	trans	-61	-33	179.8	-66.4	-172.3	177.6	-155.1	1.4	113.3	I423 N604 S614	I423-R606 VanDerWaalsContact CD1-NH1 3.29Å; N604-R606 PolarHBondContact O-N 3.04Å; N604-R606 PolarHBondContact OD1-N 3.18Å; R606-S614 VanDerWaalsContact NE-CB 3.3Å; R606-S614 PolarHBondContact NE-OG 2.84Å; R606-S614 PolarHBondContact NH2-OG 2.85Å
607	R	92.6	Very high	93.1	Very high	224 Å²	224	60.1 Å²	60.1	85%	0.845	32%	0.319	S	S	*	.	H	α-helix	trans	-87.3	-37.7	-179.5	-65.6	-178.5	-176.4	-162.9	1	112.8	N604 I605	N604-R607 HydrophobicContact CB-CB 4.37Å; N604-R607 HydrophobicContact CB-CG 4.46Å; N604-R607 PolarHBondContact O-N 3.28Å; N604-R607 VanDerWaalsContact O-N 3.16Å; N604-R607 PolarHBondContact OD1-N 3.34Å; I605-R607 VanDerWaalsContact C-N 3.27Å; I605-R607 PolarHBondContact O-N 3.27Å
608	S	92.5	Very high	93.6	Very high	57 Å²	57	59.1 Å²	59.1	40%	0.399	31%	0.312	S	S	.	.	H	α-helix	trans	-98.9	-31.2	-170	-60.2	0	0	0	0	114.5	N604 I605	N604-S608 WeakPolarHBondContact O-CB 3.13Å; N604-S608 PolarHBondContact O-N 3.27Å; N604-S608 PolarHBondContact O-OG 2.98Å; I605-S608 PolarHBondContact O-N 2.96Å
609	W	92.6	Very high	93.8	Very high	23 Å²	23	56.1 Å²	56.1	9%	0.087	29%	0.294	C	S	.	.	S	Bend	trans	-118.1	73	-172.5	-65.7	3.5	0	0	0	110.4	Y555 F557 V563 I603 I605 G611 F612 P651	Y555-W609 AromaticContact CD1-CH2 3.83Å; Y555-W609 HydrophobicContact CD1-CH2 3.83Å; Y555-W609 HydrophobicContact CD1-CZ2 4.31Å; Y555-W609 HydrophobicContact CE1-CH2 4.24Å; Y555-W609 HydrophobicContact CE1-CZ2 4.39Å; F557-W609 HydrophobicContact CE1-CH2 4.36Å; F557-W609 AromaticContact CE1-CZ3 3.78Å; F557-W609 HydrophobicContact CE1-CZ3 3.78Å; F557-W609 HydrophobicContact CZ-CZ3 4.16Å; V563-W609 HydrophobicContact CB-CH2 4.43Å; V563-W609 HydrophobicContact CG1-CH2 3.75Å; V563-W609 HydrophobicContact CG1-CZ2 3.75Å; V563-W609 HydrophobicContact CG1-CZ3 4.18Å; V563-W609 HydrophobicContact CG2-CH2 3.98Å; I603-W609 HydrophobicContact CD1-CZ2 4.06Å; I603-W609 VanDerWaalsContact CD1-NE1 3.35Å; I605-W609 HydrophobicContact CG2-CB 4.22Å; I605-W609 HydrophobicContact CG2-CE3 4.37Å; I605-W609 PolarHBondContact O-N 2.94Å; W609-G611 PolarHBondContact O-N 3.31Å; W609-F612 HydrophobicContact CB-CB 3.75Å; W609-F612 HydrophobicContact CB-CG 4.46Å; W609-F612 HydrophobicContact CE3-CB 4.29Å; W609-F612 AromaticContact CE3-CD1 3.71Å; W609-F612 HydrophobicContact CE3-CD1 3.71Å; W609-F612 HydrophobicContact CE3-CD2 4.03Å; W609-F612 AromaticContact CE3-CE1 3.95Å; W609-F612 HydrophobicContact CE3-CE1 3.95Å; W609-F612 HydrophobicContact CE3-CE2 4.27Å; W609-F612 AromaticContact CE3-CG 3.75Å; W609-F612 HydrophobicContact CE3-CG 3.75Å; W609-F612 HydrophobicContact CE3-CZ 4.22Å; W609-F612 HydrophobicContact CZ3-CD1 4.19Å; W609-F612 AromaticContact CZ3-CE1 3.94Å; W609-F612 HydrophobicContact CZ3-CE1 3.94Å; W609-F612 HydrophobicContact CZ3-CE2 4.3Å; W609-F612 HydrophobicContact CZ3-CG 4.47Å; W609-F612 AromaticContact CZ3-CZ 4Å; W609-F612 HydrophobicContact CZ3-CZ 4Å; W609-F612 WeakPolarHBondContact O-CB 3.25Å; W609-F612 PolarHBondContact O-N 3.05Å; W609-P651 VanDerWaalsContact CH2-CD 3.46Å; W609-P651 HydrophobicContact CH2-CG 3.79Å; W609-P651 HydrophobicContact CZ3-CB 4.35Å; W609-P651 HydrophobicContact CZ3-CG 4.03Å
610	K	89.1	Confident	93.9	Very high	215 Å²	215	54.8 Å²	54.8	94%	0.935	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	123.5	-179	-175.2	-179.6	179.6	-177.7	0	111.2
611	G	89.1	Confident	93.9	Very high	69 Å²	69	52.2 Å²	52.2	71%	0.711	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	88	-7.9	-179.2	0	0	0	0	0	115.1	W609	W609-G611 PolarHBondContact O-N 3.31Å
612	F	93.9	Very high	93.8	Very high	16 Å²	16	47.2 Å²	47.2	7%	0.07	24%	0.244	C	C	.	.	S	Bend	trans	-84	136.4	173.5	-158.4	-87.2	0	0	0	110.5	F557 I605 W609 S614 I616 V635 V644 P651 V653	F557-F612 AromaticContact CE1-CE1 3.66Å; F557-F612 HydrophobicContact CE1-CE1 3.66Å; F557-F612 HydrophobicContact CE1-CZ 4.12Å; F557-F612 HydrophobicContact CZ-CE1 4.03Å; F557-F612 HydrophobicContact CZ-CZ 4.02Å; I605-F612 HydrophobicContact CG2-CB 4.25Å; I605-F612 HydrophobicContact CG2-CD1 3.82Å; I605-F612 HydrophobicContact CG2-CG 4.47Å; W609-F612 HydrophobicContact CB-CB 3.75Å; W609-F612 HydrophobicContact CB-CG 4.46Å; W609-F612 HydrophobicContact CE3-CB 4.29Å; W609-F612 AromaticContact CE3-CD1 3.71Å; W609-F612 HydrophobicContact CE3-CD1 3.71Å; W609-F612 HydrophobicContact CE3-CD2 4.03Å; W609-F612 AromaticContact CE3-CE1 3.95Å; W609-F612 HydrophobicContact CE3-CE1 3.95Å; W609-F612 HydrophobicContact CE3-CE2 4.27Å; W609-F612 AromaticContact CE3-CG 3.75Å; W609-F612 HydrophobicContact CE3-CG 3.75Å; W609-F612 HydrophobicContact CE3-CZ 4.22Å; W609-F612 HydrophobicContact CZ3-CD1 4.19Å; W609-F612 AromaticContact CZ3-CE1 3.94Å; W609-F612 HydrophobicContact CZ3-CE1 3.94Å; W609-F612 HydrophobicContact CZ3-CE2 4.3Å; W609-F612 HydrophobicContact CZ3-CG 4.47Å; W609-F612 AromaticContact CZ3-CZ 4Å; W609-F612 HydrophobicContact CZ3-CZ 4Å; W609-F612 WeakPolarHBondContact O-CB 3.25Å; W609-F612 PolarHBondContact O-N 3.05Å; F612-S614 PolarHBondContact O-N 3.04Å; F612-I616 HydrophobicContact CD1-CD1 4.35Å; F612-I616 HydrophobicContact CE1-CD1 3.78Å; F612-I616 HydrophobicContact CE1-CG1 4.09Å; F612-V635 HydrophobicContact CE1-CG2 4.42Å; F612-V635 HydrophobicContact CZ-CG1 4.19Å; F612-V635 HydrophobicContact CZ-CG2 3.97Å; F612-V644 HydrophobicContact CE2-CG1 4.38Å; F612-V644 HydrophobicContact CE2-CG2 3.9Å; F612-V644 HydrophobicContact CZ-CG2 4.37Å; F612-P651 HydrophobicContact CE2-CB 4.02Å; F612-P651 HydrophobicContact CZ-CB 4.4Å; F612-V653 HydrophobicContact CD2-CG2 3.83Å; F612-V653 HydrophobicContact CE2-CG2 4.37Å; F612-V653 HydrophobicContact CG-CG2 4.34Å
613	P	93.4	Very high	93.4	Very high	14 Å²	14	47.2 Å²	47.2	9%	0.091	24%	0.239	C	C	.	.			trans	-62.2	134.5	179.2	17.7	-25.6	0	0	0	111.8	T615 I616 V635 Y642	P613-T615 VanDerWaalsContact C-N 3.31Å; P613-T615 PolarHBondContact O-N 3.04Å; P613-I616 HydrophobicContact CB-CD1 4Å; P613-I616 HydrophobicContact CG-CD1 3.72Å; P613-I616 VanDerWaalsContact O-CD1 3.24Å; P613-I616 WeakPolarHBondContact O-CD1 3.49Å; P613-V635 HydrophobicContact CG-CG2 4.31Å; P613-Y642 HydrophobicContact CB-CE2 4.36Å; P613-Y642 HydrophobicContact CG-CD1 4.27Å; P613-Y642 HydrophobicContact CG-CD2 4.03Å; P613-Y642 HydrophobicContact CG-CE1 4.33Å; P613-Y642 HydrophobicContact CG-CE2 4.13Å; P613-Y642 HydrophobicContact CG-CG 4.11Å
614	S	91	Very high	92.9	Very high	16 Å²	16	44.7 Å²	44.7	11%	0.112	23%	0.226	C	C	.	.	S	Bend	trans	-78.7	-14.4	-174.2	68	0	0	0	0	115.2	G561 R606 F612	G561-S614 WeakPolarHBondContact CA-O 3.33Å; R606-S614 VanDerWaalsContact NE-CB 3.3Å; R606-S614 PolarHBondContact NE-OG 2.84Å; R606-S614 PolarHBondContact NH2-OG 2.85Å; F612-S614 PolarHBondContact O-N 3.04Å
615	T	93.2	Very high	92.1	Very high	13 Å²	13	49.5 Å²	49.5	8%	0.08	25%	0.252	C	S	.	.			trans	-128.3	75.1	-160.1	-58.1	0	0	0	0	107	D429 Y430 P613 S637	D429-T615 HydrophobicContact CB-CG2 4.06Å; Y430-T615 HydrophobicContact CD1-CG2 4.09Å; Y430-T615 HydrophobicContact CE1-CG2 3.75Å; Y430-T615 HydrophobicContact CE2-CG2 4.33Å; P613-T615 VanDerWaalsContact C-N 3.31Å; P613-T615 PolarHBondContact O-N 3.04Å; T615-S637 VanDerWaalsContact O-CA 3.25Å; T615-S637 WeakPolarHBondContact O-CA 3.47Å; T615-S637 VanDerWaalsContact O-CB 3.3Å; T615-S637 WeakPolarHBondContact O-CB 3.28Å; T615-S637 PolarHBondContact O-OG 2.93Å
616	I	95.6	Very high	91.2	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.005	27%	0.272	C	S	.	.			trans	-85.6	118.9	-175.9	-49.2	-53.9	0	0	0	109.2	T539 A540 F557 F612 P613 A618 V635 F636	T539-I616 VanDerWaalsContact CB-O 3.31Å; T539-I616 WeakPolarHBondContact CB-O 3.42Å; T539-I616 PolarHBondContact OG1-O 3.01Å; A540-I616 HydrophobicContact CB-CB 4.2Å; A540-I616 HydrophobicContact CB-CG2 3.46Å; A540-I616 VanDerWaalsContact CB-CG2 3.46Å; F557-I616 HydrophobicContact CB-CB 3.95Å; F557-I616 HydrophobicContact CB-CG1 4.36Å; F557-I616 HydrophobicContact CB-CG2 4.48Å; F557-I616 HydrophobicContact CD1-CB 4.05Å; F557-I616 HydrophobicContact CD1-CG1 3.54Å; F557-I616 HydrophobicContact CD2-CB 4.29Å; F557-I616 HydrophobicContact CD2-CG1 4.45Å; F557-I616 HydrophobicContact CD2-CG2 4.07Å; F557-I616 HydrophobicContact CE1-CG1 3.86Å; F557-I616 HydrophobicContact CE2-CG2 4.47Å; F557-I616 HydrophobicContact CG-CB 3.83Å; F557-I616 HydrophobicContact CG-CG1 3.86Å; F557-I616 HydrophobicContact CG-CG2 4.13Å; F557-I616 HydrophobicContact CZ-CG1 4.45Å; F612-I616 HydrophobicContact CD1-CD1 4.35Å; F612-I616 HydrophobicContact CE1-CD1 3.78Å; F612-I616 HydrophobicContact CE1-CG1 4.09Å; P613-I616 HydrophobicContact CB-CD1 4Å; P613-I616 HydrophobicContact CG-CD1 3.72Å; P613-I616 VanDerWaalsContact O-CD1 3.24Å; P613-I616 WeakPolarHBondContact O-CD1 3.49Å; I616-A618 VanDerWaalsContact CG2-O 3.24Å; I616-A618 WeakPolarHBondContact CG2-O 3.05Å; I616-V635 HydrophobicContact CD1-CB 4.35Å; I616-V635 HydrophobicContact CD1-CG2 4.14Å; I616-V635 HydrophobicContact CG2-CB 4.17Å; I616-F636 CarbonylContact C-O 3.58Å; I616-F636 VanDerWaalsContact CA-O 3.32Å; I616-F636 WeakPolarHBondContact CA-O 3.18Å; I616-F636 WeakPolarHBondContact CG2-O 3.49Å
617	T	94.8	Very high	90.4	Very high	2 Å²	2	49.8 Å²	49.8	1%	0.012	26%	0.257	C	S	.	.	S	Bend	trans	-94.5	-29.1	-179.8	42.9	0	0	0	0	112.6	D429 P445 V446 T539 F636 R638	D429-T617 VanDerWaalsContact O-CG2 3.31Å; D429-T617 WeakPolarHBondContact O-CG2 3.26Å; P445-T617 HydrophobicContact CB-CG2 3.83Å; V446-T617 CarbonylContact O-C 3.49Å; V446-T617 VanDerWaalsContact O-O 3.06Å; T539-T617 CarbonylContact O-C 3.58Å; T617-F636 PolarHBondContact N-O 2.87Å; T617-F636 PolarHBondContact OG1-O 2.91Å; T617-R638 PolarHBondContact OG1-N 3.06Å; T617-R638 PolarHBondContact OG1-O 3.36Å
618	A	96.1	Very high	89.8	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	166.7	168.7	0	0	0	0	0	111.1	V446 I449 I616 F636	V446-A618 HydrophobicContact CG2-CB 3.83Å; I449-A618 HydrophobicContact CG2-CB 3.73Å; I616-A618 VanDerWaalsContact CG2-O 3.24Å; I616-A618 WeakPolarHBondContact CG2-O 3.05Å; A618-F636 HydrophobicContact CB-CB 4.26Å; A618-F636 HydrophobicContact CB-CD2 4.24Å; A618-F636 HydrophobicContact CB-CG 4.49Å; A618-F636 PolarHBondContact O-N 3.49Å
619	A	97.4	Very high	89.3	Confident	3 Å²	3	43.1 Å²	43.1	3%	0.025	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	143.2	175.3	0	0	0	0	0	110.1	I449 A540 L542 F557 V634 V635	I449-A619 VanDerWaalsContact O-O 3.09Å; A540-A619 HydrophobicContact CB-CB 4.09Å; L542-A619 HydrophobicContact CB-CB 3.83Å; L542-A619 HydrophobicContact CD1-CB 4.02Å; F557-A619 HydrophobicContact CE2-CB 4.48Å; A619-V634 CarbonylContact C-O 3.59Å; A619-V634 WeakPolarHBondContact CA-O 3.42Å; A619-V635 HydrophobicContact CB-CG1 3.95Å
620	V	96.9	Very high	89	Confident	3 Å²	3	43.3 Å²	43.3	2%	0.018	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	149.8	-179.7	63.6	0	0	0	0	111.6	I449 M457 V622 V634 F636	I449-V620 HydrophobicContact CB-CB 4.44Å; I449-V620 HydrophobicContact CD1-CG1 4.24Å; I449-V620 HydrophobicContact CG1-CB 4.1Å; I449-V620 HydrophobicContact CG1-CG1 4.29Å; I449-V620 HydrophobicContact CG1-CG2 4.23Å; I449-V620 HydrophobicContact CG2-CB 3.82Å; I449-V620 HydrophobicContact CG2-CG1 4.05Å; M457-V620 HydrophobicContact CE-CG1 4.27Å; M457-V620 HydrophobicContact CE-CG2 3.88Å; V620-V622 HydrophobicContact CG1-CG2 4.29Å; V620-V622 HydrophobicContact CG2-CG2 4.19Å; V620-V634 HydrophobicContact CG1-CB 4Å; V620-V634 PolarHBondContact N-O 2.81Å; V620-V634 PolarHBondContact O-N 3.26Å; V620-F636 HydrophobicContact CG1-CE2 4.17Å
621	S	95.7	Very high	89.1	Confident	12 Å²	12	35.3 Å²	35.3	8%	0.084	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	102.1	178.4	-52.7	0	0	0	0	108.1	C497 L542 S543 K632 Y633	C497-S621 WeakPolarHBondContact SG-CB 3.41Å; L542-S621 WeakPolarHBondContact CD1-OG 3.41Å; S543-S621 WeakPolarHBondContact O-CB 3.3Å; S543-S621 PolarHBondContact O-OG 2.91Å; S621-K632 CarbonylContact C-O 3.55Å; S621-K632 WeakPolarHBondContact CA-O 3.5Å; S621-Y633 WeakPolarHBondContact OG-CD1 3.09Å
622	V	91.4	Very high	89.1	Confident	2 Å²	2	33 Å²	33	1%	0.012	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	124.3	-174.7	-174.2	0	0	0	0	108.7	F170 M457 V620 Y631 K632	F170-V622 HydrophobicContact CD1-CG1 3.98Å; F170-V622 HydrophobicContact CD2-CG1 4.18Å; F170-V622 HydrophobicContact CE1-CG1 3.71Å; F170-V622 HydrophobicContact CE2-CG1 3.94Å; F170-V622 HydrophobicContact CG-CG1 4.21Å; F170-V622 HydrophobicContact CZ-CG1 3.7Å; M457-V622 HydrophobicContact CE-CG2 3.72Å; M457-V622 HydrophobicContact SD-CG1 4.46Å; M457-V622 HydrophobicContact SD-CG2 4.17Å; V620-V622 HydrophobicContact CG1-CG2 4.29Å; V620-V622 HydrophobicContact CG2-CG2 4.19Å; V622-Y631 CarbonylContact O-C 3.58Å; V622-Y631 VanDerWaalsContact O-CA 3.27Å; V622-Y631 WeakPolarHBondContact O-CA 2.92Å; V622-K632 PolarHBondContact N-O 3.1Å; V622-K632 PolarHBondContact O-N 3.29Å
623	P	87.4	Confident	89.2	Confident	56 Å²	56	32.4 Å²	32.4	36%	0.364	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	144.9	174.3	-22.3	33.2	0	0	0	112.1	T451 G630 Y631	T451-P623 HydrophobicContact CG2-CG 4.33Å; P623-G630 CarbonylContact C-O 3.59Å; P623-G630 WeakPolarHBondContact CA-O 3.4Å; P623-Y631 HydrophobicContact CB-CE1 4.34Å; P623-Y631 HydrophobicContact CG-CD1 4.29Å; P623-Y631 HydrophobicContact CG-CE1 3.87Å
624	T	83.9	Confident	89.2	Confident	11 Å²	11	31.7 Å²	31.7	7%	0.067	18%	0.175	C	C	.	.			trans	-154.7	147.9	171.5	-175.9	0	0	0	0	111.3	R626 N627 G630 K632	T624-R626 PolarHBondContact OG1-N 2.03Å; T624-N627 HydrophobicContact CG2-CB 3.75Å; T624-G630 PolarHBondContact N-O 3.24Å; T624-G630 CarbonylContact O-C 3.36Å; T624-G630 WeakPolarHBondContact O-CA 2.91Å; T624-K632 HydrophobicContact CG2-CD 4.07Å; T624-K632 HydrophobicContact CG2-CG 3.79Å
625	N	79.7	Confident	89.4	Confident	150 Å²	150	31 Å²	31	80%	0.802	17%	0.17	S	C	*	.	S	Bend	trans	-83.1	-14.7	173.4	-63.4	-15.9	0	0	0	112.5
626	R	76.6	Confident	89.5	Confident	111 Å²	111	30.5 Å²	30.5	42%	0.419	17%	0.167	S	C	.	.	S	Bend	trans	-77.8	-25.9	-176.8	-62.7	-171.3	-171.9	-171.1	-6.2	114.3	D168 N176 T624	D168-R626 WeakPolarHBondContact OD2-CD 3.11Å; D168-R626 WeakPolarHBondContact OD2-CG 3.16Å; D168-R626 IonicContact OD2-CZ 2.93Å; D168-R626 IonicContact OD2-NE 3.22Å; D168-R626 PolarHBondContact OD2-NE 3.01Å; D168-R626 IonicContact OD2-NH2 3.24Å; N176-R626 PolarHBondContact OD1-NH1 2.75Å; T624-R626 PolarHBondContact OG1-N 2.03Å
627	N	76.4	Confident	89.3	Confident	48 Å²	48	31.5 Å²	31.5	26%	0.257	17%	0.174	S	C	.	.	S	Bend	trans	-97.1	135.3	-178.9	-70.1	13.6	0	0	0	110	T624 E629 G630 Y631 K632	T624-N627 HydrophobicContact CG2-CB 3.75Å; N627-E629 HydrophobicContact CB-CG 4.48Å; N627-E629 PolarHBondContact O-N 2.82Å; N627-E629 VanDerWaalsContact O-N 3.15Å; N627-G630 WeakPolarHBondContact O-CA 3.46Å; N627-G630 PolarHBondContact O-N 2.88Å; N627-Y631 PolarHBondContact ND2-O 3.02Å; N627-K632 VanDerWaalsContact ND2-CG 3.3Å; N627-K632 WeakPolarHBondContact ND2-CG 3.39Å
628	P	78.2	Confident	88.9	Confident	109 Å²	109	37.6 Å²	37.6	71%	0.708	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-17.4	-179.7	28.9	-36.4	0	0	0	113.4	Y547	Y547-P628 HydrophobicContact CE2-CB 4.39Å; Y547-P628 WeakPolarHBondContact CE2-O 3.25Å
629	E	84	Confident	88.1	Confident	31 Å²	31	40.9 Å²	40.9	15%	0.145	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	1.5	170.4	68.1	178.9	132.4	0	0	114.3	Y547 R550 N627 Y631 Y633	Y547-E629 HydrophobicContact CD1-CB 4.01Å; Y547-E629 HydrophobicContact CD2-CB 3.77Å; Y547-E629 HydrophobicContact CE1-CB 4.32Å; Y547-E629 HydrophobicContact CE2-CB 4.12Å; Y547-E629 HydrophobicContact CG-CB 3.72Å; R550-E629 IonicContact CZ-OE2 2.87Å; R550-E629 VanDerWaalsContact CZ-OE2 3.26Å; R550-E629 IonicContact NH1-OE2 3.71Å; R550-E629 PolarHBondContact NH1-OE2 3.05Å; R550-E629 IonicContact NH2-OE1 3.19Å; R550-E629 IonicContact NH2-OE2 2.7Å; R550-E629 PolarHBondContact NH2-OE2 2.02Å; N627-E629 HydrophobicContact CB-CG 4.48Å; N627-E629 PolarHBondContact O-N 2.82Å; N627-E629 VanDerWaalsContact O-N 3.15Å; E629-Y631 VanDerWaalsContact C-N 3.3Å; E629-Y631 WeakPolarHBondContact O-CD2 3.33Å; E629-Y631 PolarHBondContact O-N 2.87Å; E629-Y633 VanDerWaalsContact CD-OH 3.24Å; E629-Y633 PolarHBondContact OE2-OH 3.22Å
630	G	86.3	Confident	87.6	Confident	27 Å²	27	41.8 Å²	41.8	28%	0.278	23%	0.225	S	C	.	.	S	Bend	trans	77.7	-1	173.8	0	0	0	0	0	116.6	P623 T624 N627	P623-G630 CarbonylContact C-O 3.59Å; P623-G630 WeakPolarHBondContact CA-O 3.4Å; T624-G630 PolarHBondContact N-O 3.24Å; T624-G630 CarbonylContact O-C 3.36Å; T624-G630 WeakPolarHBondContact O-CA 2.91Å; N627-G630 WeakPolarHBondContact O-CA 3.46Å; N627-G630 PolarHBondContact O-N 2.88Å
631	Y	90.4	Very high	87.3	Confident	47 Å²	47	41.7 Å²	41.7	18%	0.184	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	151.8	-175	-67.4	-100.2	0	0	0	112.7	C497 P545 V622 P623 N627 E629	C497-Y631 WeakPolarHBondContact CA-OH 3.49Å; C497-Y631 HydrophobicContact CB-CD1 4.44Å; C497-Y631 HydrophobicContact CB-CD2 4.41Å; C497-Y631 HydrophobicContact CB-CE1 3.93Å; C497-Y631 HydrophobicContact CB-CE2 3.92Å; C497-Y631 VanDerWaalsContact SG-CE1 3.56Å; P545-Y631 HydrophobicContact CB-CD2 4.24Å; P545-Y631 HydrophobicContact CB-CE2 4.19Å; P545-Y631 HydrophobicContact CG-CD2 3.73Å; P545-Y631 HydrophobicContact CG-CE2 4.19Å; V622-Y631 CarbonylContact O-C 3.58Å; V622-Y631 VanDerWaalsContact O-CA 3.27Å; V622-Y631 WeakPolarHBondContact O-CA 2.92Å; P623-Y631 HydrophobicContact CB-CE1 4.34Å; P623-Y631 HydrophobicContact CG-CD1 4.29Å; P623-Y631 HydrophobicContact CG-CE1 3.87Å; N627-Y631 PolarHBondContact ND2-O 3.02Å; E629-Y631 VanDerWaalsContact C-N 3.3Å; E629-Y631 WeakPolarHBondContact O-CD2 3.33Å; E629-Y631 PolarHBondContact O-N 2.87Å
632	K	89.9	Confident	87.2	Confident	21 Å²	21	43 Å²	43	9%	0.091	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	141.9	163.2	-75.4	169.4	-178.2	178	0	108.9	F174 S621 V622 T624 N627	F174-K632 HydrophobicContact CB-CD 3.87Å; F174-K632 HydrophobicContact CD1-CD 3.98Å; F174-K632 HydrophobicContact CD2-CD 3.66Å; F174-K632 HydrophobicContact CE1-CB 4.13Å; F174-K632 HydrophobicContact CE1-CD 4.36Å; F174-K632 HydrophobicContact CE2-CB 4.35Å; F174-K632 HydrophobicContact CE2-CD 4.06Å; F174-K632 HydrophobicContact CG-CD 3.6Å; F174-K632 HydrophobicContact CZ-CB 4.02Å; F174-K632 HydrophobicContact CZ-CD 4.39Å; S621-K632 CarbonylContact C-O 3.55Å; S621-K632 WeakPolarHBondContact CA-O 3.5Å; V622-K632 PolarHBondContact N-O 3.1Å; V622-K632 PolarHBondContact O-N 3.29Å; T624-K632 HydrophobicContact CG2-CD 4.07Å; T624-K632 HydrophobicContact CG2-CG 3.79Å; N627-K632 VanDerWaalsContact ND2-CG 3.3Å; N627-K632 WeakPolarHBondContact ND2-CG 3.39Å
633	Y	94.1	Very high	87.1	Confident	3 Å²	3	44.6 Å²	44.6	1%	0.012	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	136.1	-175.9	-47	-73.4	0	0	0	111.1	L542 V544 P545 S621 E629 V644 M646	L542-Y633 HydrophobicContact CD1-CD1 4.05Å; L542-Y633 HydrophobicContact CD1-CG 4.47Å; L542-Y633 HydrophobicContact CG-CD1 4.47Å; V544-Y633 HydrophobicContact CG2-CD1 4.48Å; V544-Y633 HydrophobicContact CG2-CE1 4.05Å; P545-Y633 VanDerWaalsContact CD-OH 3.23Å; P545-Y633 WeakPolarHBondContact CD-OH 3.49Å; S621-Y633 WeakPolarHBondContact OG-CD1 3.09Å; E629-Y633 VanDerWaalsContact CD-OH 3.24Å; E629-Y633 PolarHBondContact OE2-OH 3.22Å; Y633-V644 PolarHBondContact O-N 3.01Å; Y633-M646 HydrophobicContact CD2-CG 4.28Å; Y633-M646 HydrophobicContact CE2-CG 3.65Å
634	V	94.4	Very high	87.4	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	134.3	174.4	-178.1	0	0	0	0	109	F174 A619 V620 F636 A641 Y642 F667	F174-V634 HydrophobicContact CE1-CG2 3.6Å; F174-V634 HydrophobicContact CZ-CG2 3.57Å; A619-V634 CarbonylContact C-O 3.59Å; A619-V634 WeakPolarHBondContact CA-O 3.42Å; V620-V634 HydrophobicContact CG1-CB 4Å; V620-V634 PolarHBondContact N-O 2.81Å; V620-V634 PolarHBondContact O-N 3.26Å; V634-F636 HydrophobicContact CB-CE2 4.38Å; V634-F636 HydrophobicContact CG1-CD2 4.28Å; V634-F636 HydrophobicContact CG1-CE2 3.68Å; V634-F636 HydrophobicContact CG1-CZ 3.98Å; V634-A641 HydrophobicContact CG1-CB 3.87Å; V634-Y642 WeakPolarHBondContact CA-O 3.43Å; V634-F667 HydrophobicContact CG1-CD2 4.44Å; V634-F667 HydrophobicContact CG1-CE2 4.26Å; V634-F667 HydrophobicContact CG2-CE2 4.28Å
635	V	96.1	Very high	87.7	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	139.5	171.2	-56.7	0	0	0	0	110.3	L542 F612 P613 I616 A619 Y642 V644	L542-V635 HydrophobicContact CD2-CG1 4.45Å; F612-V635 HydrophobicContact CE1-CG2 4.42Å; F612-V635 HydrophobicContact CZ-CG1 4.19Å; F612-V635 HydrophobicContact CZ-CG2 3.97Å; P613-V635 HydrophobicContact CG-CG2 4.31Å; I616-V635 HydrophobicContact CD1-CB 4.35Å; I616-V635 HydrophobicContact CD1-CG2 4.14Å; I616-V635 HydrophobicContact CG2-CB 4.17Å; A619-V635 HydrophobicContact CB-CG1 3.95Å; V635-Y642 PolarHBondContact N-O 2.94Å; V635-Y642 PolarHBondContact O-N 3.24Å; V635-V644 HydrophobicContact CB-CG2 4.44Å; V635-V644 HydrophobicContact CG1-CG2 4.06Å; V635-V644 HydrophobicContact CG2-CG2 3.69Å
636	F	94.1	Very high	88.2	Confident	3 Å²	3	41.7 Å²	41.7	1%	0.013	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	135.7	-179.4	-66.3	-101.2	0	0	0	109.1	I449 I616 T617 A618 V620 V634 T640 A641 F667 F668	I449-F636 HydrophobicContact CD1-CE2 4.29Å; I449-F636 HydrophobicContact CD1-CZ 4.22Å; I449-F636 HydrophobicContact CG2-CD2 3.93Å; I449-F636 HydrophobicContact CG2-CE2 3.68Å; I616-F636 CarbonylContact C-O 3.58Å; I616-F636 VanDerWaalsContact CA-O 3.32Å; I616-F636 WeakPolarHBondContact CA-O 3.18Å; I616-F636 WeakPolarHBondContact CG2-O 3.49Å; T617-F636 PolarHBondContact N-O 2.87Å; T617-F636 PolarHBondContact OG1-O 2.91Å; A618-F636 HydrophobicContact CB-CB 4.26Å; A618-F636 HydrophobicContact CB-CD2 4.24Å; A618-F636 HydrophobicContact CB-CG 4.49Å; A618-F636 PolarHBondContact O-N 3.49Å; V620-F636 HydrophobicContact CG1-CE2 4.17Å; V634-F636 HydrophobicContact CB-CE2 4.38Å; V634-F636 HydrophobicContact CG1-CD2 4.28Å; V634-F636 HydrophobicContact CG1-CE2 3.68Å; V634-F636 HydrophobicContact CG1-CZ 3.98Å; F636-T640 WeakPolarHBondContact CA-O 3.38Å; F636-A641 HydrophobicContact CD1-CB 3.95Å; F636-A641 HydrophobicContact CE1-CB 3.65Å; F636-A641 HydrophobicContact CZ-CB 4.08Å; F636-F667 HydrophobicContact CE1-CB 4.05Å; F636-F667 AromaticContact CE1-CD1 3.92Å; F636-F667 HydrophobicContact CE1-CD1 3.92Å; F636-F667 HydrophobicContact CE1-CD2 4.46Å; F636-F667 AromaticContact CE1-CG 3.87Å; F636-F667 HydrophobicContact CE1-CG 3.87Å; F636-F667 HydrophobicContact CZ-CB 4.4Å; F636-F667 AromaticContact CZ-CD1 3.59Å; F636-F667 HydrophobicContact CZ-CD1 3.59Å; F636-F667 HydrophobicContact CZ-CD2 4.01Å; F636-F667 AromaticContact CZ-CE1 3.8Å; F636-F667 HydrophobicContact CZ-CE1 3.8Å; F636-F667 HydrophobicContact CZ-CE2 4.2Å; F636-F667 AromaticContact CZ-CG 3.71Å; F636-F667 HydrophobicContact CZ-CG 3.71Å; F636-F667 HydrophobicContact CZ-CZ 4.1Å; F636-F668 HydrophobicContact CE1-CZ 4.15Å
637	S	92.5	Very high	88.8	Confident	22 Å²	22	40 Å²	40	15%	0.154	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	105.1	174.2	154.2	0	0	0	0	108.4	T615 S639 T640	T615-S637 VanDerWaalsContact O-CA 3.25Å; T615-S637 WeakPolarHBondContact O-CA 3.47Å; T615-S637 VanDerWaalsContact O-CB 3.3Å; T615-S637 WeakPolarHBondContact O-CB 3.28Å; T615-S637 PolarHBondContact O-OG 2.93Å; S637-S639 PolarHBondContact O-N 3.4Å; S637-T640 PolarHBondContact N-O 3.39Å; S637-T640 PolarHBondContact O-N 3.39Å
638	R	86.1	Confident	89.1	Confident	131 Å²	131	43 Å²	43	49%	0.494	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	57	-114.5	-159.8	-58.1	-178.5	-176.7	142.5	-2.6	110.2	D429 T617	D429-R638 IonicContact OD1-CZ 3.09Å; D429-R638 IonicContact OD1-NE 2.76Å; D429-R638 PolarHBondContact OD1-NE 3.41Å; D429-R638 IonicContact OD1-NH2 2.78Å; D429-R638 PolarHBondContact OD1-NH2 3.33Å; D429-R638 IonicContact OD2-CZ 2.68Å; D429-R638 IonicContact OD2-NE 2.92Å; D429-R638 IonicContact OD2-NH2 3.86Å; D429-R638 PolarHBondContact OD2-NH2 3Å; T617-R638 PolarHBondContact OG1-N 3.06Å; T617-R638 PolarHBondContact OG1-O 3.36Å
639	S	79.5	Confident	89.3	Confident	69 Å²	69	39.5 Å²	39.5	48%	0.483	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-18.9	178.7	50.6	0	0	0	0	114.5	G443 S637	G443-S639 WeakPolarHBondContact O-CB 3.32Å; S637-S639 PolarHBondContact O-N 3.4Å
640	T	86.9	Confident	89.6	Confident	22 Å²	22	43 Å²	43	14%	0.135	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	125.7	-176	-60.3	0	0	0	0	111.1	F636 S637 Y642 K663 D665	F636-T640 WeakPolarHBondContact CA-O 3.38Å; S637-T640 PolarHBondContact N-O 3.39Å; S637-T640 PolarHBondContact O-N 3.39Å; T640-Y642 HydrophobicContact CG2-CD2 3.98Å; T640-Y642 HydrophobicContact CG2-CE2 3.45Å; T640-Y642 VanDerWaalsContact CG2-CE2 3.45Å; T640-Y642 WeakPolarHBondContact O-CD2 3.34Å; T640-K663 HydrophobicContact CG2-CB 3.68Å; T640-K663 HydrophobicContact CG2-CD 3.84Å; T640-K663 HydrophobicContact CG2-CG 3.67Å; T640-D665 PolarHBondContact OG1-OD1 2.99Å
641	A	90.4	Very high	89.9	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	138.6	169.6	0	0	0	0	0	111.2	V634 F636 K663 T664 F667	V634-A641 HydrophobicContact CG1-CB 3.87Å; F636-A641 HydrophobicContact CD1-CB 3.95Å; F636-A641 HydrophobicContact CE1-CB 3.65Å; F636-A641 HydrophobicContact CZ-CB 4.08Å; A641-K663 VanDerWaalsContact O-CA 3.3Å; A641-K663 WeakPolarHBondContact O-CA 3.47Å; A641-T664 PolarHBondContact O-N 3.38Å; A641-F667 HydrophobicContact CB-CB 3.95Å; A641-F667 HydrophobicContact CB-CD2 4.08Å; A641-F667 HydrophobicContact CB-CG 4.25Å
642	Y	92	Very high	90	Very high	41 Å²	41	41.1 Å²	41.1	16%	0.161	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	127	179.7	-67.6	-105.3	0	0	0	110.2	P613 V634 V635 T640 V653 K663	P613-Y642 HydrophobicContact CB-CE2 4.36Å; P613-Y642 HydrophobicContact CG-CD1 4.27Å; P613-Y642 HydrophobicContact CG-CD2 4.03Å; P613-Y642 HydrophobicContact CG-CE1 4.33Å; P613-Y642 HydrophobicContact CG-CE2 4.13Å; P613-Y642 HydrophobicContact CG-CG 4.11Å; V634-Y642 WeakPolarHBondContact CA-O 3.43Å; V635-Y642 PolarHBondContact N-O 2.94Å; V635-Y642 PolarHBondContact O-N 3.24Å; T640-Y642 HydrophobicContact CG2-CD2 3.98Å; T640-Y642 HydrophobicContact CG2-CE2 3.45Å; T640-Y642 VanDerWaalsContact CG2-CE2 3.45Å; T640-Y642 WeakPolarHBondContact O-CD2 3.34Å; Y642-V653 HydrophobicContact CD1-CG1 4.13Å; Y642-V653 HydrophobicContact CD1-CG2 4.45Å; Y642-K663 HydrophobicContact CD1-CG 4.42Å; Y642-K663 HydrophobicContact CE1-CG 4.11Å
643	N	90.6	Very high	90	Very high	34 Å²	34	41.8 Å²	41.8	18%	0.182	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	134.3	172.9	-70.8	-21.7	0	0	0	110.3	F174 V653 A654	F174-N643 WeakPolarHBondContact CE1-OD1 3.11Å; N643-V653 WeakPolarHBondContact O-CA 3.06Å; N643-A654 HydrophobicContact CB-CB 4.13Å; N643-A654 PolarHBondContact O-N 2.82Å
644	V	92.3	Very high	89.5	Confident	10 Å²	10	42.9 Å²	42.9	6%	0.061	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	142.2	-174.1	167	0	0	0	0	110.6	F612 Y633 V635 P651 V652	F612-V644 HydrophobicContact CE2-CG1 4.38Å; F612-V644 HydrophobicContact CE2-CG2 3.9Å; F612-V644 HydrophobicContact CZ-CG2 4.37Å; Y633-V644 PolarHBondContact O-N 3.01Å; V635-V644 HydrophobicContact CB-CG2 4.44Å; V635-V644 HydrophobicContact CG1-CG2 4.06Å; V635-V644 HydrophobicContact CG2-CG2 3.69Å; V644-P651 HydrophobicContact CG1-CB 3.64Å; V644-V652 WeakPolarHBondContact CA-O 3.04Å
645	R	90.7	Very high	88.3	Confident	124 Å²	124	46.9 Å²	46.9	47%	0.468	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	155.8	175.1	66.7	-176.8	-171.9	114	6.6	110.3	H647 V652	R645-H647 PolarHBondContact NH1-CD2 3.2Å; R645-V652 HydrophobicContact CG-CG2 3.64Å; R645-V652 PolarHBondContact N-O 3.38Å; R645-V652 PolarHBondContact O-N 3.12Å
646	M	91.1	Very high	86.4	Confident	23 Å²	23	50.7 Å²	50.7	11%	0.113	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	123.7	174.8	-64.8	-55.8	-60	0	0	110.8	V544 Y555 Y633 R650 P651	V544-M646 HydrophobicContact CG1-CE 4.21Å; V544-M646 HydrophobicContact CG1-CG 4.14Å; V544-M646 HydrophobicContact CG1-SD 4.14Å; V544-M646 HydrophobicContact CG2-SD 4.05Å; Y555-M646 HydrophobicContact CE2-CE 4.04Å; Y555-M646 WeakPolarHBondContact OH-CE 3.29Å; Y633-M646 HydrophobicContact CD2-CG 4.28Å; Y633-M646 HydrophobicContact CE2-CG 3.65Å; M646-R650 WeakPolarHBondContact CA-O 3.39Å; M646-P651 HydrophobicContact CE-CG 4.37Å; M646-P651 HydrophobicContact SD-CB 4.13Å; M646-P651 HydrophobicContact SD-CG 4.09Å
647	H	88	Confident	84.4	Confident	75 Å²	75	56.2 Å²	56.2	35%	0.347	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	137.1	178.9	-162.7	-88.4	0	0	0	109.6	R645 G649 R650 V652	R645-H647 PolarHBondContact NH1-CD2 3.2Å; H647-G649 PolarHBondContact O-N 2.9Å; H647-R650 PolarHBondContact N-O 2.87Å; H647-R650 WeakPolarHBondContact O-CG 3.3Å; H647-R650 PolarHBondContact O-N 2.77Å; H647-V652 HydrophobicContact CB-CG1 4.19Å; H647-V652 HydrophobicContact CB-CG2 3.65Å
648	D	83.8	Confident	82	Confident	110 Å²	110	59.7 Å²	59.7	59%	0.588	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	50	26.8	-174.7	-37.7	-51	0	0	0	114.5	R650	D648-R650 VanDerWaalsContact C-N 3.32Å; D648-R650 HydrophobicContact CB-CG 4.49Å; D648-R650 PolarHBondContact O-N 3.09Å; D648-R650 IonicContact OD2-CZ 3.7Å; D648-R650 IonicContact OD2-NE 2.64Å; D648-R650 PolarHBondContact OD2-NE 3.07Å; D648-R650 IonicContact OD2-NH2 2.81Å; D648-R650 PolarHBondContact OD2-NH2 2.87Å
649	G	82.3	Confident	79.9	Confident	37 Å²	37	61.7 Å²	61.7	38%	0.381	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.7	11.5	-175.1	0	0	0	0	0	115.9	Y555 H647	Y555-G649 PolarHBondContact OH-O 3.35Å; H647-G649 PolarHBondContact O-N 2.9Å
650	R	89.6	Confident	78.4	Confident	104 Å²	104	61.8 Å²	61.8	39%	0.392	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	158	174.5	53.8	174.4	169.3	-160.8	-7.9	111.8	M646 H647 D648 V652	M646-R650 WeakPolarHBondContact CA-O 3.39Å; H647-R650 PolarHBondContact N-O 2.87Å; H647-R650 WeakPolarHBondContact O-CG 3.3Å; H647-R650 PolarHBondContact O-N 2.77Å; D648-R650 VanDerWaalsContact C-N 3.32Å; D648-R650 HydrophobicContact CB-CG 4.49Å; D648-R650 PolarHBondContact O-N 3.09Å; D648-R650 IonicContact OD2-CZ 3.7Å; D648-R650 IonicContact OD2-NE 2.64Å; D648-R650 PolarHBondContact OD2-NE 3.07Å; D648-R650 IonicContact OD2-NH2 2.81Å; D648-R650 PolarHBondContact OD2-NH2 2.87Å; R650-V652 HydrophobicContact CG-CG1 4.44Å
651	P	92.6	Very high	76.5	Confident	1 Å²	1	63.8 Å²	63.8	1%	0.006	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	136.5	171.9	-9.2	26.9	0	0	0	110.6	L542 Y555 W609 F612 V644 M646	L542-P651 HydrophobicContact CD2-CB 4.28Å; L542-P651 HydrophobicContact CD2-CG 4.25Å; Y555-P651 HydrophobicContact CD1-CG 3.95Å; Y555-P651 HydrophobicContact CD2-CG 3.9Å; Y555-P651 HydrophobicContact CE1-CG 3.92Å; Y555-P651 HydrophobicContact CE2-CG 3.91Å; Y555-P651 HydrophobicContact CG-CG 3.93Å; W609-P651 VanDerWaalsContact CH2-CD 3.46Å; W609-P651 HydrophobicContact CH2-CG 3.79Å; W609-P651 HydrophobicContact CZ3-CB 4.35Å; W609-P651 HydrophobicContact CZ3-CG 4.03Å; F612-P651 HydrophobicContact CE2-CB 4.02Å; F612-P651 HydrophobicContact CZ-CB 4.4Å; V644-P651 HydrophobicContact CG1-CB 3.64Å; M646-P651 HydrophobicContact CE-CG 4.37Å; M646-P651 HydrophobicContact SD-CB 4.13Å; M646-P651 HydrophobicContact SD-CG 4.09Å
652	V	93.4	Very high	74.6	Confident	34 Å²	34	65.5 Å²	65.5	21%	0.206	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	146.5	170.7	-58.9	0	0	0	0	110.1	V644 R645 H647 R650 A654	V644-V652 WeakPolarHBondContact CA-O 3.04Å; R645-V652 HydrophobicContact CG-CG2 3.64Å; R645-V652 PolarHBondContact N-O 3.38Å; R645-V652 PolarHBondContact O-N 3.12Å; H647-V652 HydrophobicContact CB-CG1 4.19Å; H647-V652 HydrophobicContact CB-CG2 3.65Å; R650-V652 HydrophobicContact CG-CG1 4.44Å; V652-A654 PolarHBondContact O-N 2.7Å
653	V	90.4	Very high	72.9	Confident	34 Å²	34	67.9 Å²	67.9	21%	0.206	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	136.4	173.6	-178.4	0	0	0	0	108.9	F612 Y642 N643	F612-V653 HydrophobicContact CD2-CG2 3.83Å; F612-V653 HydrophobicContact CE2-CG2 4.37Å; F612-V653 HydrophobicContact CG-CG2 4.34Å; Y642-V653 HydrophobicContact CD1-CG1 4.13Å; Y642-V653 HydrophobicContact CD1-CG2 4.45Å; N643-V653 WeakPolarHBondContact O-CA 3.06Å
654	A	82.1	Confident	71.5	Confident	27 Å²	27	68.2 Å²	68.2	22%	0.223	39%	0.386	C	S	.	.	P	Polyproline II helix	trans	-65.2	139.6	174.5	0	0	0	0	0	110.2	N643 V652	N643-A654 HydrophobicContact CB-CB 4.13Å; N643-A654 PolarHBondContact O-N 2.82Å; V652-A654 PolarHBondContact O-N 2.7Å
655	A	69.4	Low	69.8	Low	84 Å²	84	72.8 Å²	72.8	69%	0.694	41%	0.411	S	S	*	.	P	Polyproline II helix	trans	-69.3	139.7	173.3	0	0	0	0	0	109.2	R657	A655-R657 PolarHBondContact O-N 2.73Å
656	P	55.7	Low	68.7	Low	80 Å²	80	73.6 Å²	73.6	52%	0.519	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-60.4	132.1	170.2	22.5	-29.2	0	0	0	110.3	V660 P662	P656-V660 WeakPolarHBondContact CB-O 3.29Å; P656-P662 HydrophobicContact CB-CB 4.19Å; P656-P662 HydrophobicContact CB-CG 4.1Å; P656-P662 HydrophobicContact CG-CB 4.47Å; P656-P662 HydrophobicContact CG-CG 4.13Å
657	R	51.9	Low	68.3	Low	119 Å²	119	73.1 Å²	73.1	45%	0.449	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-66.6	156.7	161.4	-73.7	-178.9	166.2	-122.7	-15.4	108.4	N176 D177 D178 A655 N659 V660	N176-R657 PolarHBondContact O-NH1 3.28Å; D177-R657 VanDerWaalsContact CA-NH2 3.31Å; D177-R657 IonicContact OD1-CZ 3.38Å; D177-R657 IonicContact OD1-NE 3.53Å; D177-R657 PolarHBondContact OD1-NE 3.21Å; D177-R657 IonicContact OD1-NH2 2.72Å; D177-R657 PolarHBondContact OD1-NH2 2.04Å; D178-R657 PolarHBondContact O-NH2 3.44Å; A655-R657 PolarHBondContact O-N 2.73Å; R657-N659 PolarHBondContact O-N 2.94Å; R657-V660 HydrophobicContact CB-CB 4.38Å; R657-V660 PolarHBondContact O-N 2.72Å
658	A	42.5	Very low	68.3	Low	94 Å²	94	71 Å²	71	78%	0.777	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	133.4	170	0	0	0	0	0	109.4	V660	A658-V660 VanDerWaalsContact C-N 3.26Å; A658-V660 PolarHBondContact O-N 2.67Å
659	N	42.4	Very low	68.4	Low	174 Å²	174	70.2 Å²	70.2	93%	0.93	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.3	9.6	-176.1	-53.1	-17.1	0	0	0	117.1	R657	R657-N659 PolarHBondContact O-N 2.94Å
660	V	49.2	Very low	68.4	Low	70 Å²	70	70.8 Å²	70.8	42%	0.424	40%	0.398	S	S	.	.			trans	-127.7	119.1	174.8	-173.2	0	0	0	0	111.5	P656 R657 A658	P656-V660 WeakPolarHBondContact CB-O 3.29Å; R657-V660 HydrophobicContact CB-CB 4.38Å; R657-V660 PolarHBondContact O-N 2.72Å; A658-V660 VanDerWaalsContact C-N 3.26Å; A658-V660 PolarHBondContact O-N 2.67Å
661	S	46.6	Very low	67.8	Low	65 Å²	65	70.7 Å²	70.7	46%	0.455	41%	0.411	S	S	.	.			trans	-58.6	142.2	173.7	175	0	0	0	0	111.5	K663	S661-K663 PolarHBondContact O-N 2.91Å; S661-K663 WeakPolarHBondContact OG-CB 3.43Å; S661-K663 PolarHBondContact OG-N 3.45Å; S661-K663 VanDerWaalsContact OG-N 3.09Å; S661-K663 PolarHBondContact OG-O 3.39Å
662	P	51.1	Low	66.6	Low	35 Å²	35	80.2 Å²	80.2	23%	0.227	45%	0.452	C	S	.	.	S	Bend	trans	-81.9	1.4	173.2	36.8	-29.7	0	0	0	111.9	P656	P656-P662 HydrophobicContact CB-CB 4.19Å; P656-P662 HydrophobicContact CB-CG 4.1Å; P656-P662 HydrophobicContact CG-CB 4.47Å; P656-P662 HydrophobicContact CG-CG 4.13Å
663	K	55.5	Low	64.7	Low	92 Å²	92	88.5 Å²	88.5	40%	0.4	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	132.8	179.7	-60.9	172.8	174.7	-177.1	0	109.6	T640 A641 Y642 S661	T640-K663 HydrophobicContact CG2-CB 3.68Å; T640-K663 HydrophobicContact CG2-CD 3.84Å; T640-K663 HydrophobicContact CG2-CG 3.67Å; A641-K663 VanDerWaalsContact O-CA 3.3Å; A641-K663 WeakPolarHBondContact O-CA 3.47Å; Y642-K663 HydrophobicContact CD1-CG 4.42Å; Y642-K663 HydrophobicContact CE1-CG 4.11Å; S661-K663 PolarHBondContact O-N 2.91Å; S661-K663 WeakPolarHBondContact OG-CB 3.43Å; S661-K663 PolarHBondContact OG-N 3.45Å; S661-K663 VanDerWaalsContact OG-N 3.09Å; S661-K663 PolarHBondContact OG-O 3.39Å
664	T	60.5	Low	62	Low	40 Å²	40	96 Å²	96	25%	0.245	54%	0.539	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	96.4	172	-50.5	0	0	0	0	108.8	A641 N666 F667	A641-T664 PolarHBondContact O-N 3.38Å; T664-N666 PolarHBondContact O-N 2.79Å; T664-F667 HydrophobicContact CG2-CB 4.49Å
665	D	57.6	Low	61	Low	107 Å²	107	99.4 Å²	99.4	57%	0.572	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.8	-12.1	-177.3	-63.1	-49.2	0	0	0	113.1	T640	T640-D665 PolarHBondContact OG1-OD1 2.99Å
666	N	67.4	Low	60.6	Low	141 Å²	141	100.2 Å²	100.2	75%	0.754	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.1	58.8	172.2	-70.3	-42.5	0	0	0	111.2	T664	T664-N666 PolarHBondContact O-N 2.79Å
667	F	82.8	Confident	60.9	Low	12 Å²	12	101.3 Å²	101.3	5%	0.053	55%	0.549	C	S	.	.			trans	-65.7	-41.3	177.8	-178	-85.4	0	0	0	112.4	I173 I449 M457 L468 L472 V634 F636 A641 T664	I173-F667 HydrophobicContact CG2-CE2 4.31Å; I449-F667 HydrophobicContact CD1-CE1 3.79Å; I449-F667 HydrophobicContact CD1-CZ 4.36Å; M457-F667 HydrophobicContact CE-CZ 4.23Å; L468-F667 HydrophobicContact CD1-CE1 4.4Å; L472-F667 HydrophobicContact CD1-CD1 4.4Å; L472-F667 HydrophobicContact CD1-CE1 4Å; L472-F667 HydrophobicContact CD1-CE2 4.3Å; L472-F667 HydrophobicContact CD1-CZ 3.94Å; L472-F667 WeakPolarHBondContact CD1-O 3.47Å; V634-F667 HydrophobicContact CG1-CD2 4.44Å; V634-F667 HydrophobicContact CG1-CE2 4.26Å; V634-F667 HydrophobicContact CG2-CE2 4.28Å; F636-F667 HydrophobicContact CE1-CB 4.05Å; F636-F667 AromaticContact CE1-CD1 3.92Å; F636-F667 HydrophobicContact CE1-CD1 3.92Å; F636-F667 HydrophobicContact CE1-CD2 4.46Å; F636-F667 AromaticContact CE1-CG 3.87Å; F636-F667 HydrophobicContact CE1-CG 3.87Å; F636-F667 HydrophobicContact CZ-CB 4.4Å; F636-F667 AromaticContact CZ-CD1 3.59Å; F636-F667 HydrophobicContact CZ-CD1 3.59Å; F636-F667 HydrophobicContact CZ-CD2 4.01Å; F636-F667 AromaticContact CZ-CE1 3.8Å; F636-F667 HydrophobicContact CZ-CE1 3.8Å; F636-F667 HydrophobicContact CZ-CE2 4.2Å; F636-F667 AromaticContact CZ-CG 3.71Å; F636-F667 HydrophobicContact CZ-CG 3.71Å; F636-F667 HydrophobicContact CZ-CZ 4.1Å; A641-F667 HydrophobicContact CB-CB 3.95Å; A641-F667 HydrophobicContact CB-CD2 4.08Å; A641-F667 HydrophobicContact CB-CG 4.25Å; T664-F667 HydrophobicContact CG2-CB 4.49Å
668	F	87.3	Confident	61.4	Low	31 Å²	31	100.3 Å²	100.3	14%	0.136	56%	0.555	C	S	.	*	S	Bend	trans	-84.4	124.7	171.5	-49.5	-60.3	0	0	0	108.6	L440 V446 I449 V459 L468 F636 C670	L440-F668 HydrophobicContact CD1-CE2 4.42Å; L440-F668 HydrophobicContact CD2-CD1 3.95Å; L440-F668 HydrophobicContact CD2-CD2 4.3Å; L440-F668 HydrophobicContact CD2-CE1 4.24Å; L440-F668 HydrophobicContact CD2-CG 4Å; L440-F668 HydrophobicContact CG-CD2 4.22Å; L440-F668 HydrophobicContact CG-CE2 4.43Å; L440-F668 HydrophobicContact CG-CG 4.38Å; V446-F668 HydrophobicContact CG1-CE2 4.14Å; V446-F668 HydrophobicContact CG1-CZ 4.1Å; V446-F668 HydrophobicContact CG2-CZ 4.48Å; I449-F668 HydrophobicContact CD1-CE1 4.13Å; V459-F668 HydrophobicContact CG1-CE1 4.06Å; V459-F668 HydrophobicContact CG1-CZ 3.92Å; V459-F668 HydrophobicContact CG2-CD1 4.43Å; V459-F668 HydrophobicContact CG2-CE1 3.7Å; V459-F668 HydrophobicContact CG2-CZ 4.4Å; L468-F668 HydrophobicContact CD1-CD1 4.01Å; L468-F668 HydrophobicContact CD1-CE1 4.17Å; L468-F668 HydrophobicContact CD2-CD1 4.14Å; F636-F668 HydrophobicContact CE1-CZ 4.15Å; F668-C670 PolarHBondContact O-N 3.4Å
669	R	85.7	Confident	62.6	Low	93 Å²	93	100.7 Å²	100.7	35%	0.351	54%	0.541	S	S	.	.			trans	-80.1	76.3	178.3	-68.5	-155.4	-172.5	176.3	-4.5	110.5	E172 N471 L472 V473	E172-R669 VanDerWaalsContact CB-NH2 3.32Å; E172-R669 IonicContact OE2-CZ 2.72Å; E172-R669 IonicContact OE2-NH1 3.11Å; E172-R669 PolarHBondContact OE2-NH1 2.82Å; E172-R669 IonicContact OE2-NH2 3.44Å; E172-R669 PolarHBondContact OE2-NH2 3.49Å; N471-R669 VanDerWaalsContact O-CB 3.29Å; N471-R669 WeakPolarHBondContact O-CB 3.36Å; N471-R669 WeakPolarHBondContact O-CD 3.21Å; N471-R669 WeakPolarHBondContact O-CG 3.19Å; L472-R669 HydrophobicContact CB-CG 4.44Å; L472-R669 PolarHBondContact O-N 3.41Å; V473-R669 HydrophobicContact CG2-CB 4.08Å; V473-R669 WeakPolarHBondContact CG2-O 3.19Å
670	C	83.4	Confident	63.9	Low	50 Å²	50	95.8 Å²	95.8	34%	0.338	52%	0.515	S	S	.	.	P	Polyproline II helix	trans	-65.8	124.5	178.5	-67.6	0	0	0	0	111.3	C441 F668 K672	C441-C670 VanDerWaalsContact CA-SG 3.57Å; C441-C670 HydrophobicContact CB-CB 3.65Å; C441-C670 WeakPolarHBondContact CB-SG 3.4Å; C441-C670 VanDerWaalsContact SG-CA 3.55Å; C441-C670 WeakPolarHBondContact SG-CB 3.49Å; C441-C670 CovalentContact SG-SG 2.02Å; C441-C670 PolarHBondContact SG-SG 3.14Å; F668-C670 PolarHBondContact O-N 3.4Å; C670-K672 PolarHBondContact O-N 3.13Å
671	P	75.7	Confident	65	Low	101 Å²	101	97.6 Å²	97.6	66%	0.656	52%	0.521	S	S	*	.	P	Polyproline II helix	trans	-63.6	132	175	26.6	-33	0	0	0	109.5
672	K	68.4	Low	66.4	Low	201 Å²	201	100.2 Å²	100.2	87%	0.874	53%	0.526	S	S	*	.	P	Polyproline II helix	trans	-66.4	134.7	171.9	-64.3	179.1	-178	176.8	0	108.2	C670 S674	C670-K672 PolarHBondContact O-N 3.13Å; K672-S674 PolarHBondContact O-N 2.79Å
673	K	53	Low	67.7	Low	209 Å²	209	105.6 Å²	105.6	91%	0.909	55%	0.551	S	S	*	*	P	Polyproline II helix	trans	-63.5	129.8	165.1	-66.7	-172.6	176.7	-172.8	0	108.1
674	S	34.7	Very low	68.8	Low	190 Å²	190	106.8 Å²	106.8	100%	1.329	57%	0.565	S	S	*	*			trans	-73.3	0	171.5	56.7	0	0	0	0	111	K672	K672-S674 PolarHBondContact O-N 2.79Å

Retrieved 674 of 674 residues in 3050.1 ms (Link to these results)

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