X5D8X9_HUMAN Loading...

Contactin associated protein-like 2 isoform D

AlphaFold DB , UniProt , Accession X5D8X9, Species HUMAN (Homo sapiens, Human), Gene CNTNAP2, Length 664 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	31.9	Very low	37.4	Very low	223 Å²	223	119.7 Å²	119.7	100%	1.099	76%	0.757	S	S	*	*				0	124.2	0	-85.1	172.8	168	0	0	108.3
2	Q	25.3	Very low	38	Very low	204 Å²	204	114.3 Å²	114.3	95%	0.953	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-76.3	125.9	172	-80.9	172.8	-17.1	0	0	109
3	A	30.9	Very low	38.1	Very low	64 Å²	64	107.1 Å²	107.1	53%	0.529	68%	0.683	S	S	.	*	P	Polyproline II helix	trans	-82.9	146.6	177.4	0	0	0	0	0	111.2
4	A	30.4	Very low	38.5	Very low	96 Å²	96	105.5 Å²	105.5	79%	0.793	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-60.4	164.3	-172.8	0	0	0	0	0	114.8
5	P	32.5	Very low	38.9	Very low	132 Å²	132	98.9 Å²	98.9	86%	0.857	62%	0.624	S	S	*	*	P	Polyproline II helix	trans	-77.4	160.2	-157.5	31.3	-32.9	0	0	0	115.4
6	R	45.4	Very low	39.7	Very low	242 Å²	242	98.3 Å²	98.3	91%	0.913	61%	0.606	S	S	*	*	P	Polyproline II helix	trans	-57.3	126	-171.4	-67.9	171	171.2	174.3	-4.5	114.6
7	A	40.8	Very low	40.3	Very low	74 Å²	74	92.8 Å²	92.8	61%	0.612	57%	0.572	S	S	*	*			trans	-127	117.2	150.7	0	0	0	0	0	108.2
8	G	43.8	Very low	41.1	Very low	82 Å²	82	91.5 Å²	91.5	85%	0.845	56%	0.564	S	S	*	*	P	Polyproline II helix	trans	-79.3	129.2	-179.6	0	0	0	0	0	111.1
9	C	46.9	Very low	42	Very low	44 Å²	44	86.8 Å²	86.8	30%	0.297	54%	0.535	S	S	.	.	P	Polyproline II helix	trans	-95.9	119.8	174.5	-64.7	0	0	0	0	110.5	L13 C124	C9-L13 VanDerWaalsContact C-CD1 3.43Å; C9-L13 HydrophobicContact CB-CD1 3.28Å; C9-L13 HydrophobicContact CB-CD2 3.61Å; C9-L13 HydrophobicContact CB-CG 4.07Å; C9-L13 WeakPolarHBondContact O-CD1 3.22Å; C9-C124 HydrophobicContact CB-CB 3.95Å; C9-C124 WeakPolarHBondContact CB-SG 3.33Å; C9-C124 WeakPolarHBondContact SG-CB 3.19Å; C9-C124 CovalentContact SG-SG 2.01Å; C9-C124 PolarHBondContact SG-SG 2.97Å
10	G	44.3	Very low	42.8	Very low	68 Å²	68	83.1 Å²	83.1	70%	0.701	51%	0.513	S	S	*	.	P	Polyproline II helix	trans	-76.6	138.6	-176.6	0	0	0	0	0	113.7	L13	G10-L13 VanDerWaalsContact O-CD1 3.26Å; G10-L13 WeakPolarHBondContact O-CD1 3.44Å
11	A	39.7	Very low	43.8	Very low	88 Å²	88	79.8 Å²	79.8	73%	0.727	49%	0.493	S	S	*	.	S	Bend	trans	34.4	87.4	161.2	0	0	0	0	0	118.5
12	A	44.7	Very low	45.2	Very low	54 Å²	54	71.8 Å²	71.8	45%	0.446	45%	0.454	S	S	.	.	S	Bend	trans	84.7	96.3	165.6	0	0	0	0	0	114.1
13	L	38.5	Very low	47	Very low	21 Å²	21	62.3 Å²	62.3	11%	0.11	41%	0.41	C	S	.	.			trans	-138.6	133	-174.1	-74.1	119.7	0	0	0	109.4	C9 G10 L15 K95 C124	C9-L13 VanDerWaalsContact C-CD1 3.43Å; C9-L13 HydrophobicContact CB-CD1 3.28Å; C9-L13 HydrophobicContact CB-CD2 3.61Å; C9-L13 HydrophobicContact CB-CG 4.07Å; C9-L13 WeakPolarHBondContact O-CD1 3.22Å; G10-L13 VanDerWaalsContact O-CD1 3.26Å; G10-L13 WeakPolarHBondContact O-CD1 3.44Å; L13-L15 HydrophobicContact CB-CD1 3.56Å; L13-L15 HydrophobicContact CB-CG 3.84Å; L13-L15 HydrophobicContact CD1-CD1 4.47Å; L13-L15 PolarHBondContact O-N 3.39Å; L13-K95 HydrophobicContact CB-CD 4.43Å; L13-C124 VanDerWaalsContact CD2-CA 3.48Å; L13-C124 HydrophobicContact CD2-CB 3.28Å
14	L	43.3	Very low	48.2	Very low	85 Å²	85	64 Å²	64	45%	0.445	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	100.8	146	-81.4	152.7	0	0	0	105.3
15	L	45.8	Very low	49.1	Very low	7 Å²	7	60.2 Å²	60.2	4%	0.037	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	131.6	171.2	-76.5	114	0	0	0	107.6	L13 S93 K95 L98 L122 R123	L13-L15 HydrophobicContact CB-CD1 3.56Å; L13-L15 HydrophobicContact CB-CG 3.84Å; L13-L15 HydrophobicContact CD1-CD1 4.47Å; L13-L15 PolarHBondContact O-N 3.39Å; L15-S93 VanDerWaalsContact O-CA 3.27Å; L15-S93 WeakPolarHBondContact O-CA 3.43Å; L15-K95 VanDerWaalsContact CD1-CA 3.5Å; L15-K95 HydrophobicContact CD1-CB 3.52Å; L15-K95 HydrophobicContact CD1-CD 4.31Å; L15-K95 HydrophobicContact CD1-CG 3.51Å; L15-L98 HydrophobicContact CB-CD1 3.39Å; L15-L98 HydrophobicContact CD2-CB 4.21Å; L15-L98 HydrophobicContact CD2-CD1 4.49Å; L15-L98 HydrophobicContact CG-CD1 4.37Å; L15-L122 HydrophobicContact CB-CD1 4.28Å; L15-L122 HydrophobicContact CD2-CD1 3.29Å; L15-L122 HydrophobicContact CD2-CD2 3.73Å; L15-L122 HydrophobicContact CD2-CG 3.67Å; L15-L122 HydrophobicContact CG-CD1 4.37Å; L15-R123 WeakPolarHBondContact CA-O 3.42Å
16	W	50.4	Low	50	Low	89 Å²	89	54.6 Å²	54.6	34%	0.337	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	117.7	177.1	-60	71.6	0	0	0	109	F91 R123	W16-F91 HydrophobicContact CB-CD1 4.31Å; W16-F91 HydrophobicContact CD2-CD1 4.39Å; W16-F91 HydrophobicContact CE3-CB 4.11Å; W16-F91 AromaticContact CE3-CD1 3.42Å; W16-F91 HydrophobicContact CE3-CD1 3.42Å; W16-F91 VanDerWaalsContact CE3-CD1 3.42Å; W16-F91 AromaticContact CE3-CD2 3.76Å; W16-F91 HydrophobicContact CE3-CD2 3.76Å; W16-F91 AromaticContact CE3-CE1 3.56Å; W16-F91 HydrophobicContact CE3-CE1 3.56Å; W16-F91 AromaticContact CE3-CE2 3.94Å; W16-F91 HydrophobicContact CE3-CE2 3.94Å; W16-F91 AromaticContact CE3-CG 3.48Å; W16-F91 HydrophobicContact CE3-CG 3.48Å; W16-F91 VanDerWaalsContact CE3-CG 3.48Å; W16-F91 AromaticContact CE3-CZ 3.82Å; W16-F91 HydrophobicContact CE3-CZ 3.82Å; W16-F91 HydrophobicContact CZ3-CB 4.44Å; W16-F91 HydrophobicContact CZ3-CD1 4.12Å; W16-F91 AromaticContact CZ3-CD2 3.57Å; W16-F91 HydrophobicContact CZ3-CD2 3.57Å; W16-F91 HydrophobicContact CZ3-CE1 4.16Å; W16-F91 AromaticContact CZ3-CE2 3.68Å; W16-F91 HydrophobicContact CZ3-CE2 3.68Å; W16-F91 AromaticContact CZ3-CG 3.79Å; W16-F91 HydrophobicContact CZ3-CG 3.79Å; W16-F91 AromaticContact CZ3-CZ 3.96Å; W16-F91 HydrophobicContact CZ3-CZ 3.96Å; W16-R123 HydrophobicContact CB-CB 4.17Å; W16-R123 PolarHBondContact N-O 3.29Å; W16-R123 PolarHBondContact O-N 3.43Å
17	I	51.2	Low	50.2	Low	4 Å²	4	45.4 Å²	45.4	2%	0.021	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	119.5	166.4	-62.2	-176.2	0	0	0	107.4	S19 F91 L92 L98 V100 V119 L122	I17-S19 PolarHBondContact O-N 3.05Å; I17-F91 VanDerWaalsContact O-CA 3.27Å; I17-F91 WeakPolarHBondContact O-CA 3.46Å; I17-L92 HydrophobicContact CB-CB 4.28Å; I17-L92 PolarHBondContact N-O 2.78Å; I17-L92 PolarHBondContact O-N 2.83Å; I17-L98 HydrophobicContact CD1-CD1 4.18Å; I17-L98 HydrophobicContact CD1-CD2 3.39Å; I17-L98 HydrophobicContact CD1-CG 4.29Å; I17-L98 HydrophobicContact CG1-CD1 4.38Å; I17-L98 HydrophobicContact CG1-CD2 4.35Å; I17-V100 HydrophobicContact CD1-CB 4.31Å; I17-V100 HydrophobicContact CD1-CG2 3.73Å; I17-V119 HydrophobicContact CG2-CG1 3.46Å; I17-V119 VanDerWaalsContact CG2-CG1 3.46Å; I17-L122 HydrophobicContact CD1-CD1 3.72Å; I17-L122 HydrophobicContact CG1-CD1 3.72Å
18	V	53.5	Low	50.3	Low	70 Å²	70	43.5 Å²	43.5	42%	0.424	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	110	167.7	-179.1	0	0	0	0	107.1	F91 G120	V18-F91 HydrophobicContact CG2-CD1 3.93Å; V18-F91 HydrophobicContact CG2-CE1 3.38Å; V18-F91 HydrophobicContact CG2-CZ 4.22Å; V18-G120 PolarHBondContact O-N 3.44Å
19	S	59.6	Low	50	Low	3 Å²	3	43 Å²	43	2%	0.021	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	130.9	163.3	167.7	0	0	0	0	108.1	I17 W51 A89 G90	I17-S19 PolarHBondContact O-N 3.05Å; S19-W51 WeakPolarHBondContact OG-CZ3 3.49Å; S19-A89 VanDerWaalsContact O-CA 3.24Å; S19-A89 WeakPolarHBondContact O-CA 3.39Å; S19-G90 PolarHBondContact N-O 3.09Å; S19-G90 PolarHBondContact O-N 2.84Å
20	S	58.1	Low	49.9	Very low	12 Å²	12	46.2 Å²	46.2	8%	0.084	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	132.9	160.9	59.1	0	0	0	0	111.9	D88 L117 S118	S20-D88 CarbonylContact C-O 3.56Å; S20-D88 VanDerWaalsContact CA-O 3.24Å; S20-D88 WeakPolarHBondContact CA-O 3.47Å; S20-L117 WeakPolarHBondContact O-CA 3.15Å; S20-S118 PolarHBondContact N-O 2.8Å; S20-S118 PolarHBondContact O-N 2.76Å; S20-S118 PolarHBondContact OG-OG 3.49Å
21	C	62.2	Low	49.6	Very low	14 Å²	14	48.3 Å²	48.3	10%	0.095	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	134.4	172.7	-168.8	0	0	0	0	108.8	K87 D88 K116 L117	C21-K87 VanDerWaalsContact O-CA 3.26Å; C21-K87 WeakPolarHBondContact O-CA 3.38Å; C21-D88 PolarHBondContact N-O 3.2Å; C21-D88 PolarHBondContact O-N 2.98Å; C21-K116 CarbonylContact C-O 3.59Å; C21-L117 HydrophobicContact CB-CD1 4.04Å
22	L	61.8	Low	49.8	Very low	54 Å²	54	49.6 Å²	49.6	28%	0.283	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	137.5	167.5	-89.2	83.7	0	0	0	108.3	W85 R86 K87 A115 K116	L22-W85 HydrophobicContact CB-CE3 3.71Å; L22-W85 HydrophobicContact CB-CZ3 3.83Å; L22-W85 HydrophobicContact CD2-CE3 4.23Å; L22-W85 HydrophobicContact CG-CE3 4.47Å; L22-R86 CarbonylContact C-O 3.46Å; L22-R86 WeakPolarHBondContact CA-O 3.49Å; L22-K87 HydrophobicContact CD1-CB 4.37Å; L22-K87 HydrophobicContact CD1-CD 4.15Å; L22-K87 HydrophobicContact CD1-CG 3.97Å; L22-K87 HydrophobicContact CG-CB 4.31Å; L22-K87 HydrophobicContact CG-CG 4.45Å; L22-A115 CarbonylContact O-C 3.48Å; L22-A115 VanDerWaalsContact O-CA 3.26Å; L22-A115 WeakPolarHBondContact O-CA 3.18Å; L22-K116 HydrophobicContact CB-CB 4.21Å; L22-K116 PolarHBondContact N-O 2.88Å; L22-K116 PolarHBondContact O-N 3.24Å
23	C	64.2	Low	50	Low	5 Å²	5	55.7 Å²	55.7	3%	0.034	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	153.2	-174.7	55.7	0	0	0	0	112.1	W26 C78 W85 R86 E114	C23-W26 HydrophobicContact CB-CB 4.49Å; C23-C78 HydrophobicContact CB-CB 3.83Å; C23-C78 WeakPolarHBondContact CB-SG 3.16Å; C23-C78 WeakPolarHBondContact SG-CA 3.43Å; C23-C78 WeakPolarHBondContact SG-CB 3.45Å; C23-C78 CovalentContact SG-SG 2.03Å; C23-C78 PolarHBondContact SG-SG 3.34Å; C23-W85 WeakPolarHBondContact O-CA 3.5Å; C23-R86 PolarHBondContact N-O 3.25Å; C23-R86 PolarHBondContact O-N 3.08Å; C23-E114 CarbonylContact C-O 3.44Å; C23-E114 VanDerWaalsContact CA-O 3.27Å; C23-E114 WeakPolarHBondContact CA-O 3.23Å
24	R	55.8	Low	50.8	Low	100 Å²	100	56.8 Å²	56.8	38%	0.377	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	131.6	176.2	-169.9	-176.3	-170.2	-167.6	1.9	109.4	W26 K83 W85 S113 E114	R24-W26 PolarHBondContact O-N 3.29Å; R24-K83 WeakPolarHBondContact CG-O 3.47Å; R24-K83 PolarHBondContact NE-O 2.86Å; R24-K83 PolarHBondContact NH2-O 3.12Å; R24-W85 HydrophobicContact CB-CD2 4.28Å; R24-W85 HydrophobicContact CB-CE3 4.3Å; R24-W85 HydrophobicContact CB-CZ3 4.48Å; R24-S113 VanDerWaalsContact O-CA 3.29Å; R24-S113 WeakPolarHBondContact O-CA 3.4Å; R24-E114 HydrophobicContact CB-CB 4.49Å; R24-E114 PolarHBondContact N-O 3.29Å; R24-E114 PolarHBondContact O-N 3.45Å
25	A	49.2	Very low	51.5	Low	16 Å²	16	57.3 Å²	57.3	13%	0.132	34%	0.342	C	S	.	.	S	Bend	trans	48.7	54.2	179.6	0	0	0	0	0	114.1	D81 Y82 G112 S113	A25-D81 WeakPolarHBondContact CA-OD1 3.42Å; A25-Y82 PolarHBondContact N-O 2.87Å; A25-G112 WeakPolarHBondContact CB-O 3.4Å; A25-S113 WeakPolarHBondContact O-CA 3.46Å; A25-S113 WeakPolarHBondContact O-CB 3.28Å
26	W	51	Low	52.6	Low	14 Å²	14	58.9 Å²	58.9	5%	0.053	35%	0.353	C	S	.	.			trans	-114.4	124.3	-179.2	-167.8	52.6	0	0	0	111	C23 R24 T38 C78 D81 G106	C23-W26 HydrophobicContact CB-CB 4.49Å; R24-W26 PolarHBondContact O-N 3.29Å; W26-T38 HydrophobicContact CH2-CG2 3.47Å; W26-T38 VanDerWaalsContact CH2-CG2 3.47Å; W26-T38 HydrophobicContact CZ2-CG2 3.4Å; W26-C78 HydrophobicContact CE3-CB 3.71Å; W26-C78 VanDerWaalsContact CE3-O 3.24Å; W26-C78 HydrophobicContact CZ3-CB 3.78Å; W26-D81 PolarHBondContact N-OD1 2.68Å; W26-D81 WeakPolarHBondContact O-CA 3.06Å; W26-D81 WeakPolarHBondContact O-CB 3.27Å; W26-D81 PolarHBondContact O-N 2.96Å; W26-D81 VanDerWaalsContact O-N 3.12Å; W26-G106 PolarHBondContact NE1-O 2.77Å
27	T	49.2	Very low	53.6	Low	49 Å²	49	59.1 Å²	59.1	30%	0.301	35%	0.354	S	S	.	.			trans	-113.2	114.7	173.3	30.7	0	0	0	0	110	P29 D81 D107 R110	T27-P29 WeakPolarHBondContact O-CD 3.47Å; T27-D81 HydrophobicContact CG2-CB 3.51Å; T27-D81 VanDerWaalsContact CG2-CG 3.49Å; T27-D81 VanDerWaalsContact CG2-OD2 3.31Å; T27-D81 WeakPolarHBondContact CG2-OD2 3.48Å; T27-D107 PolarHBondContact N-OD2 3.35Å; T27-R110 PolarHBondContact OG1-NH1 2.7Å
28	A	44.1	Very low	54.7	Low	34 Å²	34	59.7 Å²	59.7	28%	0.281	36%	0.358	S	S	.	.			trans	-73.5	126.3	151.4	0	0	0	0	0	108.3	S30	A28-S30 VanDerWaalsContact C-N 3.34Å; A28-S30 PolarHBondContact O-N 3.45Å
29	P	37.3	Very low	56.1	Low	73 Å²	73	59 Å²	59	47%	0.474	35%	0.348	S	S	.	.			trans	-65.8	100.4	158	26.8	-30.9	0	0	0	107.8	T27 T31 Y37	T27-P29 WeakPolarHBondContact O-CD 3.47Å; P29-T31 PolarHBondContact O-N 2.87Å; P29-Y37 HydrophobicContact CG-CE2 3.48Å; P29-Y37 VanDerWaalsContact CG-CE2 3.48Å; P29-Y37 WeakPolarHBondContact CG-OH 3.38Å
30	S	44.8	Very low	57.4	Low	110 Å²	110	58.9 Å²	58.9	77%	0.769	35%	0.347	S	S	*	.			trans	-81.3	91.8	158.9	70	0	0	0	0	108.3	A28	A28-S30 VanDerWaalsContact C-N 3.34Å; A28-S30 PolarHBondContact O-N 3.45Å
31	T	38.1	Very low	58.8	Low	112 Å²	112	58.7 Å²	58.7	69%	0.687	35%	0.345	S	S	*	.			trans	-101.7	143	140.3	49.2	0	0	0	0	106.5	P29 H33 G34	P29-T31 PolarHBondContact O-N 2.87Å; T31-H33 PolarHBondContact O-N 2.97Å; T31-G34 PolarHBondContact O-N 2.94Å; T31-G34 VanDerWaalsContact O-N 3.12Å
32	S	43.6	Very low	60	Low	115 Å²	115	58.1 Å²	58.1	80%	0.804	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	16.5	-169	52.9	0	0	0	0	117.9
33	H	47.6	Very low	60.9	Low	182 Å²	182	60.9 Å²	60.9	84%	0.843	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-146.3	11.2	-179.4	-77	-74.9	0	0	0	115.1	T31	T31-H33 PolarHBondContact O-N 2.97Å
34	G	55.3	Low	61.9	Low	45 Å²	45	64.3 Å²	64.3	46%	0.464	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-92.1	144.7	-178.7	0	0	0	0	0	114.9	T31	T31-G34 PolarHBondContact O-N 2.94Å; T31-G34 VanDerWaalsContact O-N 3.12Å
35	S	58.4	Low	63.3	Low	96 Å²	96	65.6 Å²	65.6	67%	0.671	39%	0.394	S	S	*	.	P	Polyproline II helix	trans	-70.7	135	171.8	-64.3	0	0	0	0	111.1
36	P	68.9	Low	65.1	Low	39 Å²	39	67.2 Å²	67.2	25%	0.253	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-68.1	145.8	-179.8	28.9	-36.3	0	0	0	112.3	T38 Y49	P36-T38 VanDerWaalsContact C-N 3.31Å; P36-T38 PolarHBondContact O-N 2.83Å; P36-Y49 HydrophobicContact CG-CD1 3.27Å; P36-Y49 HydrophobicContact CG-CE1 3.89Å; P36-Y49 HydrophobicContact CG-CG 3.76Å
37	Y	70.8	Confident	66.9	Low	95 Å²	95	72.2 Å²	72.2	37%	0.373	42%	0.421	S	S	.	.	S	Bend	trans	-78.4	-12.3	-175.2	-72.5	-96.1	0	0	0	114.1	P29 W39 G106 D107	P29-Y37 HydrophobicContact CG-CE2 3.48Å; P29-Y37 VanDerWaalsContact CG-CE2 3.48Å; P29-Y37 WeakPolarHBondContact CG-OH 3.38Å; Y37-W39 WeakPolarHBondContact O-CZ3 3.38Å; Y37-G106 WeakPolarHBondContact O-CA 3.26Å; Y37-G106 PolarHBondContact O-N 3.06Å; Y37-D107 HydrophobicContact CD1-CB 4.13Å; Y37-D107 HydrophobicContact CG-CB 4.37Å
38	T	75.9	Confident	68.6	Low	15 Å²	15	70.7 Å²	70.7	9%	0.092	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	131.1	176.8	49.4	0	0	0	0	110.8	W26 P36 V104 V105	W26-T38 HydrophobicContact CH2-CG2 3.47Å; W26-T38 VanDerWaalsContact CH2-CG2 3.47Å; W26-T38 HydrophobicContact CZ2-CG2 3.4Å; P36-T38 VanDerWaalsContact C-N 3.31Å; P36-T38 PolarHBondContact O-N 2.83Å; T38-V104 WeakPolarHBondContact CA-O 3.09Å; T38-V105 HydrophobicContact CG2-CB 4.23Å; T38-V105 HydrophobicContact CG2-CG1 3.86Å; T38-V105 HydrophobicContact CG2-CG2 4.31Å
39	W	82.9	Confident	70.5	Confident	57 Å²	57	73 Å²	73	22%	0.216	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	162.9	174.4	65.4	90.6	0	0	0	110.5	Y37 H48 Y49 V104	Y37-W39 WeakPolarHBondContact O-CZ3 3.38Å; W39-H48 WeakPolarHBondContact CA-O 3.44Å; W39-H48 WeakPolarHBondContact CB-O 3.41Å; W39-Y49 HydrophobicContact CB-CD1 3.56Å; W39-Y49 HydrophobicContact CB-CE1 3.64Å; W39-Y49 HydrophobicContact CD2-CE1 4.44Å; W39-Y49 HydrophobicContact CE3-CE1 4.47Å; W39-Y49 HydrophobicContact CG-CE1 4.13Å; W39-V104 HydrophobicContact CD2-CB 4.06Å; W39-V104 HydrophobicContact CD2-CG1 4.47Å; W39-V104 HydrophobicContact CH2-CB 4.29Å; W39-V104 HydrophobicContact CH2-CG1 3.68Å; W39-V104 HydrophobicContact CZ2-CB 3.75Å; W39-V104 HydrophobicContact CZ2-CG1 3.5Å; W39-V104 VanDerWaalsContact CZ2-CG1 3.5Å; W39-V104 HydrophobicContact CZ2-CG2 4.03Å; W39-V104 HydrophobicContact CZ3-CG1 4.24Å; W39-V104 PolarHBondContact N-O 2.84Å; W39-V104 VanDerWaalsContact N-O 3.1Å; W39-V104 PolarHBondContact O-N 2.83Å; W39-V104 VanDerWaalsContact O-O 3.11Å
40	W	86.4	Confident	72.6	Confident	0 Å²	0	69.7 Å²	69.7	0%	0	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	159.7	171.4	62.8	-89.1	0	0	0	110.8	H48 Y50 L92 H97 L98 V100 Q102 V103	W40-H48 HydrophobicContact CD2-CB 3.71Å; W40-H48 HydrophobicContact CE3-CB 4.19Å; W40-H48 AromaticContact CE3-CD2 3.85Å; W40-H48 HydrophobicContact CG-CB 4.21Å; W40-H48 HydrophobicContact CH2-CB 4.23Å; W40-H48 AromaticContact CH2-CD2 3.59Å; W40-H48 HydrophobicContact CZ2-CB 3.72Å; W40-H48 AromaticContact CZ2-CD2 3.99Å; W40-H48 AromaticContact CZ2-CG 3.95Å; W40-H48 HydrophobicContact CZ3-CB 4.42Å; W40-H48 AromaticContact CZ3-CD2 3.49Å; W40-H48 VanDerWaalsContact CZ3-CD2 3.49Å; W40-H48 WeakPolarHBondContact CZ3-CD2 3.35Å; W40-H48 PolarHBondContact N-O 3.49Å; W40-H48 PolarHBondContact O-N 2.82Å; W40-Y50 WeakPolarHBondContact CH2-OH 3.2Å; W40-Y50 AromaticContact CZ2-CE1 3.86Å; W40-Y50 HydrophobicContact CZ2-CE1 3.86Å; W40-Y50 AromaticContact CZ2-CE2 3.85Å; W40-Y50 HydrophobicContact CZ2-CE2 3.85Å; W40-Y50 AromaticContact CZ2-CZ 3.35Å; W40-Y50 WeakPolarHBondContact CZ2-OH 3.42Å; W40-Y50 PolarHBondContact NE1-O 2.67Å; W40-L92 HydrophobicContact CD2-CD1 4.19Å; W40-L92 HydrophobicContact CH2-CD1 4.38Å; W40-L92 HydrophobicContact CZ2-CD1 3.84Å; W40-L92 HydrophobicContact CZ2-CD2 3.95Å; W40-L92 HydrophobicContact CZ2-CG 4.35Å; W40-H97 HydrophobicContact CH2-CB 3.56Å; W40-H97 HydrophobicContact CZ2-CB 4.48Å; W40-H97 HydrophobicContact CZ3-CB 4.18Å; W40-H97 WeakPolarHBondContact CZ3-O 3.41Å; W40-L98 HydrophobicContact CH2-CD2 3.82Å; W40-L98 HydrophobicContact CZ3-CD2 4.04Å; W40-V100 HydrophobicContact CB-CG1 4.23Å; W40-V100 HydrophobicContact CD2-CG2 4.15Å; W40-V100 HydrophobicContact CE3-CB 4.33Å; W40-V100 HydrophobicContact CE3-CG1 4.31Å; W40-V100 HydrophobicContact CE3-CG2 3.69Å; W40-V100 HydrophobicContact CZ3-CG2 3.91Å; W40-Q102 CarbonylContact C-O 3.48Å; W40-Q102 WeakPolarHBondContact CA-O 3.4Å; W40-V103 HydrophobicContact CB-CB 4.45Å; W40-V103 HydrophobicContact CB-CG1 4.41Å; W40-V103 HydrophobicContact CB-CG2 3.85Å
41	V	87.8	Confident	74.2	Confident	8 Å²	8	65.7 Å²	65.7	5%	0.048	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	130.1	-175.8	-175	0	0	0	0	109.3	N45 E46 S101 Q102	V41-N45 WeakPolarHBondContact CG1-OD1 3.37Å; V41-E46 WeakPolarHBondContact CA-O 3.46Å; V41-S101 PolarHBondContact O-N 2.83Å; V41-S101 PolarHBondContact O-OG 2.97Å; V41-Q102 HydrophobicContact CB-CB 4.07Å; V41-Q102 HydrophobicContact CG2-CB 4.15Å; V41-Q102 PolarHBondContact N-O 3.06Å
42	G	86	Confident	75.9	Confident	1 Å²	1	60.6 Å²	60.6	1%	0.01	33%	0.329	C	S	.	.			trans	-88.1	-167.1	-177.3	0	0	0	0	0	114.8	N45 E46 H97 P99 S101	G42-N45 PolarHBondContact O-N 2.89Å; G42-E46 PolarHBondContact N-O 2.95Å; G42-H97 CarbonylContact C-O 3.49Å; G42-H97 WeakPolarHBondContact CA-O 3.32Å; G42-P99 CarbonylContact C-O 3.51Å; G42-S101 PolarHBondContact O-OG 2.73Å; G42-S101 VanDerWaalsContact O-OG 3.09Å
43	K	82.1	Confident	77.3	Confident	112 Å²	112	57.2 Å²	57.2	49%	0.487	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-29.6	-177.7	78.2	-173.6	-169	-165	0	113.9	N45 D96 H97 L98 P99	K43-N45 VanDerWaalsContact C-N 3.3Å; K43-D96 VanDerWaalsContact CD-O 3.31Å; K43-D96 WeakPolarHBondContact CD-O 3.38Å; K43-D96 WeakPolarHBondContact CE-O 3.16Å; K43-D96 PolarHBondContact NZ-O 2.69Å; K43-D96 IonicContact NZ-OD1 3.62Å; K43-H97 PolarHBondContact N-O 3.06Å; K43-H97 VanDerWaalsContact N-O 3.08Å; K43-L98 WeakPolarHBondContact CB-O 3.38Å; K43-L98 WeakPolarHBondContact CD-O 3.25Å; K43-P99 PolarHBondContact N-O 2.9Å
44	A	84.5	Confident	78.7	Confident	77 Å²	77	49 Å²	49	64%	0.636	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	18.6	179	0	0	0	0	0	111.7	E46	A44-E46 WeakPolarHBondContact CA-OE2 3.27Å; A44-E46 WeakPolarHBondContact CB-OE2 3.43Å; A44-E46 PolarHBondContact N-OE2 3.01Å; A44-E46 PolarHBondContact O-N 3.43Å
45	N	84.6	Confident	79.9	Confident	128 Å²	128	47.3 Å²	47.3	68%	0.684	26%	0.257	S	S	*	.	S	Bend	trans	61.1	25.3	-179.5	-155.5	42	0	0	0	114	V41 G42 K43	V41-N45 WeakPolarHBondContact CG1-OD1 3.37Å; G42-N45 PolarHBondContact O-N 2.89Å; K43-N45 VanDerWaalsContact C-N 3.3Å
46	E	88.1	Confident	81	Confident	49 Å²	49	45.1 Å²	45.1	23%	0.229	24%	0.241	C	C	.	.			trans	-93.2	145.9	-179.5	78.6	-71.7	-174.8	0	0	111.4	V41 G42 A44 H48 H97	V41-E46 WeakPolarHBondContact CA-O 3.46Å; G42-E46 PolarHBondContact N-O 2.95Å; A44-E46 WeakPolarHBondContact CA-OE2 3.27Å; A44-E46 WeakPolarHBondContact CB-OE2 3.43Å; A44-E46 PolarHBondContact N-OE2 3.01Å; A44-E46 PolarHBondContact O-N 3.43Å; E46-H48 WeakPolarHBondContact CG-NE2 3.37Å; E46-H48 IonicContact OE1-CD2 3.94Å; E46-H48 IonicContact OE1-CE1 2.8Å; E46-H48 IonicContact OE1-NE2 2.84Å; E46-H48 PolarHBondContact OE1-NE2 2.97Å; E46-H97 IonicContact OE1-CD2 3.05Å
47	K	87.8	Confident	81.3	Confident	119 Å²	119	47.1 Å²	47.1	52%	0.517	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	130	-178.5	-63.7	-176.8	-177.4	-179.3	0	111.1	Y49	K47-Y49 HydrophobicContact CB-CE2 4.48Å
48	H	86.3	Confident	81.7	Confident	17 Å²	17	46.2 Å²	46.2	8%	0.079	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	131.8	177.9	-68.1	-60.1	0	0	0	111.3	W39 W40 E46 Y50 H97	W39-H48 WeakPolarHBondContact CA-O 3.44Å; W39-H48 WeakPolarHBondContact CB-O 3.41Å; W40-H48 HydrophobicContact CD2-CB 3.71Å; W40-H48 HydrophobicContact CE3-CB 4.19Å; W40-H48 AromaticContact CE3-CD2 3.85Å; W40-H48 HydrophobicContact CG-CB 4.21Å; W40-H48 HydrophobicContact CH2-CB 4.23Å; W40-H48 AromaticContact CH2-CD2 3.59Å; W40-H48 HydrophobicContact CZ2-CB 3.72Å; W40-H48 AromaticContact CZ2-CD2 3.99Å; W40-H48 AromaticContact CZ2-CG 3.95Å; W40-H48 HydrophobicContact CZ3-CB 4.42Å; W40-H48 AromaticContact CZ3-CD2 3.49Å; W40-H48 VanDerWaalsContact CZ3-CD2 3.49Å; W40-H48 WeakPolarHBondContact CZ3-CD2 3.35Å; W40-H48 PolarHBondContact N-O 3.49Å; W40-H48 PolarHBondContact O-N 2.82Å; E46-H48 WeakPolarHBondContact CG-NE2 3.37Å; E46-H48 IonicContact OE1-CD2 3.94Å; E46-H48 IonicContact OE1-CE1 2.8Å; E46-H48 IonicContact OE1-NE2 2.84Å; E46-H48 PolarHBondContact OE1-NE2 2.97Å; H48-Y50 HydrophobicContact CB-CD1 4.04Å; H48-Y50 HydrophobicContact CB-CE1 3.7Å; H48-Y50 AromaticContact CG-CE1 3.71Å; H48-Y50 AromaticContact ND1-CE1 3.52Å; H48-H97 AromaticContact CE1-CD2 3.2Å; H48-H97 PolarHBondContact CE1-CD2 2.86Å; H48-H97 AromaticContact CE1-CE1 3.52Å; H48-H97 AromaticContact CE1-CG 3.19Å; H48-H97 AromaticContact CE1-ND1 3.41Å; H48-H97 PolarHBondContact CE1-ND1 3.34Å; H48-H97 AromaticContact CE1-NE2 3.44Å; H48-H97 PolarHBondContact CE1-NE2 3.17Å; H48-H97 AromaticContact ND1-CE1 3.95Å; H48-H97 AromaticContact ND1-CG 3.93Å; H48-H97 AromaticContact ND1-ND1 3.76Å; H48-H97 VanDerWaalsContact NE2-CB 3.29Å; H48-H97 WeakPolarHBondContact NE2-CB 3.46Å; H48-H97 AromaticContact NE2-CD2 3.43Å; H48-H97 PolarHBondContact NE2-CD2 2.93Å; H48-H97 AromaticContact NE2-CG 3.25Å; H48-H97 AromaticContact NE2-ND1 3.88Å
49	Y	82.6	Confident	81.6	Confident	82 Å²	82	51.6 Å²	51.6	32%	0.322	29%	0.293	S	S	.	.			trans	-108.5	-7.7	-174.6	-58.1	-69.2	0	0	0	114	P36 W39 K47	P36-Y49 HydrophobicContact CG-CD1 3.27Å; P36-Y49 HydrophobicContact CG-CE1 3.89Å; P36-Y49 HydrophobicContact CG-CG 3.76Å; W39-Y49 HydrophobicContact CB-CD1 3.56Å; W39-Y49 HydrophobicContact CB-CE1 3.64Å; W39-Y49 HydrophobicContact CD2-CE1 4.44Å; W39-Y49 HydrophobicContact CE3-CE1 4.47Å; W39-Y49 HydrophobicContact CG-CE1 4.13Å; K47-Y49 HydrophobicContact CB-CE2 4.48Å
50	Y	82.5	Confident	81.5	Confident	5 Å²	5	52.3 Å²	52.3	2%	0.02	30%	0.298	C	S	.	.			trans	-83.4	147.7	173.4	71	-84.4	0	0	0	109.7	W40 H48 S54 G55 P56 L92 Y94 H97	W40-Y50 WeakPolarHBondContact CH2-OH 3.2Å; W40-Y50 AromaticContact CZ2-CE1 3.86Å; W40-Y50 HydrophobicContact CZ2-CE1 3.86Å; W40-Y50 AromaticContact CZ2-CE2 3.85Å; W40-Y50 HydrophobicContact CZ2-CE2 3.85Å; W40-Y50 AromaticContact CZ2-CZ 3.35Å; W40-Y50 WeakPolarHBondContact CZ2-OH 3.42Å; W40-Y50 PolarHBondContact NE1-O 2.67Å; H48-Y50 HydrophobicContact CB-CD1 4.04Å; H48-Y50 HydrophobicContact CB-CE1 3.7Å; H48-Y50 AromaticContact CG-CE1 3.71Å; H48-Y50 AromaticContact ND1-CE1 3.52Å; Y50-S54 WeakPolarHBondContact CB-OG 3.34Å; Y50-S54 WeakPolarHBondContact CD2-O 3.43Å; Y50-G55 VanDerWaalsContact CB-O 3.25Å; Y50-G55 WeakPolarHBondContact CB-O 3.3Å; Y50-P56 HydrophobicContact CD1-CB 4.14Å; Y50-P56 HydrophobicContact CD1-CG 4.23Å; Y50-P56 HydrophobicContact CE1-CB 4.1Å; Y50-P56 HydrophobicContact CE1-CG 3.85Å; Y50-P56 HydrophobicContact CE2-CG 4.46Å; Y50-L92 HydrophobicContact CD2-CD2 4.22Å; Y50-L92 HydrophobicContact CE2-CD2 3.95Å; Y50-Y94 AromaticContact CE2-CD2 3.99Å; Y50-Y94 HydrophobicContact CE2-CD2 3.99Å; Y50-H97 AromaticContact CE1-ND1 3.64Å; Y50-H97 AromaticContact CZ-ND1 3.58Å; Y50-H97 WeakPolarHBondContact OH-CB 3.41Å; Y50-H97 PolarHBondContact OH-ND1 3.46Å
51	W	78.3	Confident	81.3	Confident	26 Å²	26	52.6 Å²	52.6	10%	0.098	30%	0.3	C	S	.	.			trans	-119.5	172	-176.9	-83	101.3	0	0	0	112.1	S19 G53 S54 V103 L117	S19-W51 WeakPolarHBondContact OG-CZ3 3.49Å; W51-G53 PolarHBondContact O-N 2.81Å; W51-S54 PolarHBondContact N-OG 3.12Å; W51-S54 VanDerWaalsContact N-OG 3.09Å; W51-S54 PolarHBondContact O-N 2.85Å; W51-S54 PolarHBondContact O-OG 3.49Å; W51-V103 HydrophobicContact CH2-CG1 3.58Å; W51-V103 HydrophobicContact CZ2-CG1 4.07Å; W51-L117 HydrophobicContact CH2-CD1 3.58Å; W51-L117 HydrophobicContact CZ3-CD1 3.86Å
52	G	74.4	Confident	81.1	Confident	5 Å²	5	53.1 Å²	53.1	5%	0.052	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.1	127.5	-174.3	0	0	0	0	0	112.9	G90 F91	G52-G90 VanDerWaalsContact C-CA 3.48Å; G52-F91 WeakPolarHBondContact CA-O 3.37Å
53	G	71.1	Confident	81	Confident	43 Å²	43	53.6 Å²	53.6	44%	0.443	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.6	4.1	-176	0	0	0	0	0	115.7	W51 F91	W51-G53 PolarHBondContact O-N 2.81Å; G53-F91 PolarHBondContact N-O 3.36Å
54	S	78.6	Confident	81	Confident	11 Å²	11	48.8 Å²	48.8	8%	0.077	29%	0.29	C	S	.	.			trans	-123.8	160.4	172.5	73.2	0	0	0	0	112.2	Y50 W51 K60	Y50-S54 WeakPolarHBondContact CB-OG 3.34Å; Y50-S54 WeakPolarHBondContact CD2-O 3.43Å; W51-S54 PolarHBondContact N-OG 3.12Å; W51-S54 VanDerWaalsContact N-OG 3.09Å; W51-S54 PolarHBondContact O-N 2.85Å; W51-S54 PolarHBondContact O-OG 3.49Å; S54-K60 WeakPolarHBondContact CB-O 3.16Å; S54-K60 PolarHBondContact OG-O 2.76Å; S54-K60 VanDerWaalsContact OG-O 3.05Å
55	G	79.8	Confident	80.9	Confident	9 Å²	9	49 Å²	49	9%	0.093	28%	0.279	C	S	.	.			trans	-96.3	163.3	177.9	0	0	0	0	0	114.3	Y50 I58	Y50-G55 VanDerWaalsContact CB-O 3.25Å; Y50-G55 WeakPolarHBondContact CB-O 3.3Å; G55-I58 VanDerWaalsContact O-CB 3.29Å; G55-I58 WeakPolarHBondContact O-CB 3.48Å; G55-I58 PolarHBondContact O-N 3.21Å
56	P	82.4	Confident	80.9	Confident	50 Å²	50	49.1 Å²	49.1	33%	0.325	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	138.4	174.5	-25	31.8	0	0	0	112.4	Y50 I58 Y94	Y50-P56 HydrophobicContact CD1-CB 4.14Å; Y50-P56 HydrophobicContact CD1-CG 4.23Å; Y50-P56 HydrophobicContact CE1-CB 4.1Å; Y50-P56 HydrophobicContact CE1-CG 3.85Å; Y50-P56 HydrophobicContact CE2-CG 4.46Å; P56-I58 PolarHBondContact O-N 3.05Å; P56-Y94 WeakPolarHBondContact CD-OH 3.28Å; P56-Y94 HydrophobicContact CG-CD1 3.51Å; P56-Y94 HydrophobicContact CG-CD2 4Å; P56-Y94 HydrophobicContact CG-CE1 3.61Å; P56-Y94 HydrophobicContact CG-CE2 4.12Å; P56-Y94 HydrophobicContact CG-CG 3.71Å
57	G	75.1	Confident	80.7	Confident	80 Å²	80	57.8 Å²	57.8	83%	0.825	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.3	-12.8	-175.8	0	0	0	0	0	114.4
58	I	77.6	Confident	80.6	Confident	77 Å²	77	56.6 Å²	56.6	40%	0.395	31%	0.306	S	S	.	.			trans	-94.2	108.1	177.5	-53.1	173.4	0	0	0	109	G55 P56 K60 I65	G55-I58 VanDerWaalsContact O-CB 3.29Å; G55-I58 WeakPolarHBondContact O-CB 3.48Å; G55-I58 PolarHBondContact O-N 3.21Å; P56-I58 PolarHBondContact O-N 3.05Å; I58-K60 HydrophobicContact CG2-CB 4.08Å; I58-K60 HydrophobicContact CG2-CG 4.14Å; I58-K60 PolarHBondContact O-N 2.91Å; I58-I65 HydrophobicContact CG2-CD1 3.68Å
59	Q	74.9	Confident	80.6	Confident	128 Å²	128	56.5 Å²	56.5	60%	0.598	31%	0.307	S	S	*	.			trans	-84.9	49	179.5	-62.8	-179.8	-8.2	0	0	111.8
60	K	81.6	Confident	80.7	Confident	72 Å²	72	56.8 Å²	56.8	31%	0.313	32%	0.317	S	S	.	.			trans	-134.2	151.2	178	-55.8	-170.8	172.7	-175.3	0	109.9	S54 I58 I65 Y75	S54-K60 WeakPolarHBondContact CB-O 3.16Å; S54-K60 PolarHBondContact OG-O 2.76Å; S54-K60 VanDerWaalsContact OG-O 3.05Å; I58-K60 HydrophobicContact CG2-CB 4.08Å; I58-K60 HydrophobicContact CG2-CG 4.14Å; I58-K60 PolarHBondContact O-N 2.91Å; K60-I65 HydrophobicContact CB-CD1 3.83Å; K60-I65 HydrophobicContact CB-CG1 4.44Å; K60-I65 HydrophobicContact CD-CD1 4.08Å; K60-I65 HydrophobicContact CG-CD1 4.44Å; K60-Y75 HydrophobicContact CD-CD1 4.04Å; K60-Y75 HydrophobicContact CD-CG 4.34Å; K60-Y75 HydrophobicContact CG-CD1 4.22Å; K60-Y75 HydrophobicContact CG-CG 4Å
61	C	81.7	Confident	80.7	Confident	6 Å²	6	58.1 Å²	58.1	4%	0.041	33%	0.325	C	S	.	.			trans	-86.3	169.6	171.2	-63.8	0	0	0	0	110.7	C63 G64 I65 Y75 C76 D88	C61-C63 PolarHBondContact O-N 2.89Å; C61-C63 VanDerWaalsContact O-N 3.16Å; C61-G64 WeakPolarHBondContact O-CA 3.35Å; C61-G64 PolarHBondContact O-N 2.97Å; C61-I65 PolarHBondContact O-N 2.78Å; C61-Y75 PolarHBondContact N-O 3.29Å; C61-Y75 VanDerWaalsContact N-O 3.09Å; C61-C76 HydrophobicContact CB-CB 3.77Å; C61-C76 WeakPolarHBondContact CB-SG 3.49Å; C61-C76 PolarHBondContact N-SG 3.49Å; C61-C76 WeakPolarHBondContact SG-CB 3.21Å; C61-C76 CovalentContact SG-SG 2.03Å; C61-C76 PolarHBondContact SG-SG 3.34Å; C61-D88 HydrophobicContact CB-CB 4.35Å
62	A	82.8	Confident	80.9	Confident	18 Å²	18	62.7 Å²	62.7	15%	0.149	36%	0.358	C	S	.	.	H	α-helix	trans	-45.7	-47.9	177.8	0	0	0	0	0	112.9	G64 I65 E66	A62-G64 PolarHBondContact O-N 3.34Å; A62-I65 WeakPolarHBondContact O-CB 3.38Å; A62-I65 PolarHBondContact O-N 2.81Å; A62-I65 VanDerWaalsContact O-N 3.15Å; A62-E66 WeakPolarHBondContact O-CG 3.32Å; A62-E66 PolarHBondContact O-N 3.32Å
63	C	83.6	Confident	81.2	Confident	12 Å²	12	70.4 Å²	70.4	8%	0.081	39%	0.39	C	S	.	.	H	α-helix	trans	-63.9	-30	-179.5	74.4	0	0	0	0	113.6	C61 R67 N68 C69 N77	C61-C63 PolarHBondContact O-N 2.89Å; C61-C63 VanDerWaalsContact O-N 3.16Å; C63-R67 WeakPolarHBondContact O-CA 3.45Å; C63-R67 PolarHBondContact O-N 3.25Å; C63-N68 WeakPolarHBondContact CA-OD1 3.25Å; C63-N68 WeakPolarHBondContact CB-OD1 3.06Å; C63-N68 PolarHBondContact O-N 2.81Å; C63-N68 PolarHBondContact O-OD1 3.28Å; C63-C69 HydrophobicContact CB-CB 3.94Å; C63-C69 WeakPolarHBondContact CB-SG 3.35Å; C63-C69 PolarHBondContact O-N 3.15Å; C63-C69 PolarHBondContact O-SG 2.84Å; C63-C69 VanDerWaalsContact SG-CA 3.57Å; C63-C69 WeakPolarHBondContact SG-CB 3.39Å; C63-C69 CovalentContact SG-SG 2.06Å; C63-C69 PolarHBondContact SG-SG 3.4Å; C63-N77 PolarHBondContact SG-ND2 2.91Å
64	G	82.7	Confident	81.7	Confident	11 Å²	11	71.8 Å²	71.8	11%	0.113	38%	0.382	C	S	.	.	H	α-helix	trans	-78.2	-24	-179.8	0	0	0	0	0	112.3	C61 A62 C69 Y75	C61-G64 WeakPolarHBondContact O-CA 3.35Å; C61-G64 PolarHBondContact O-N 2.97Å; A62-G64 PolarHBondContact O-N 3.34Å; G64-C69 VanDerWaalsContact CA-SG 3.54Å; G64-C69 PolarHBondContact N-SG 2.96Å; G64-Y75 WeakPolarHBondContact CA-O 3.4Å
65	I	82.7	Confident	81.9	Confident	81 Å²	81	77.8 Å²	77.8	42%	0.415	40%	0.404	S	S	.	.	H	α-helix	trans	-75.4	-47.5	169.2	-54.9	-58.4	0	0	0	110.1	I58 K60 C61 A62 R67	I58-I65 HydrophobicContact CG2-CD1 3.68Å; K60-I65 HydrophobicContact CB-CD1 3.83Å; K60-I65 HydrophobicContact CB-CG1 4.44Å; K60-I65 HydrophobicContact CD-CD1 4.08Å; K60-I65 HydrophobicContact CG-CD1 4.44Å; C61-I65 PolarHBondContact O-N 2.78Å; A62-I65 WeakPolarHBondContact O-CB 3.38Å; A62-I65 PolarHBondContact O-N 2.81Å; A62-I65 VanDerWaalsContact O-N 3.15Å; I65-R67 PolarHBondContact O-N 3.37Å
66	E	84.6	Confident	82	Confident	130 Å²	130	78 Å²	78	61%	0.607	40%	0.404	S	S	*	.	H	α-helix	trans	-75.2	-8.4	-178.8	-66.7	176.2	-174.7	0	0	113.6	A62 N68	A62-E66 WeakPolarHBondContact O-CG 3.32Å; A62-E66 PolarHBondContact O-N 3.32Å; E66-N68 PolarHBondContact O-N 3.29Å; E66-N68 PolarHBondContact OE2-ND2 3.1Å
67	R	83.6	Confident	82	Confident	231 Å²	231	76.7 Å²	76.7	87%	0.872	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.6	35.8	-176	-55.7	-176.4	178.7	-169.9	-0.9	113.3	C63 I65	C63-R67 WeakPolarHBondContact O-CA 3.45Å; C63-R67 PolarHBondContact O-N 3.25Å; I65-R67 PolarHBondContact O-N 3.37Å
68	N	86.5	Confident	82.2	Confident	94 Å²	94	73.1 Å²	73.1	50%	0.503	36%	0.357	S	S	.	.			trans	-122.3	18.2	-179.7	69.4	9.8	0	0	0	113.1	C63 E66	C63-N68 WeakPolarHBondContact CA-OD1 3.25Å; C63-N68 WeakPolarHBondContact CB-OD1 3.06Å; C63-N68 PolarHBondContact O-N 2.81Å; C63-N68 PolarHBondContact O-OD1 3.28Å; E66-N68 PolarHBondContact O-N 3.29Å; E66-N68 PolarHBondContact OE2-ND2 3.1Å
69	C	84.9	Confident	82.2	Confident	15 Å²	15	71.1 Å²	71.1	10%	0.101	35%	0.347	C	S	.	.			trans	-59	150.1	172	-61	0	0	0	0	110.7	C63 G64 D71	C63-C69 HydrophobicContact CB-CB 3.94Å; C63-C69 WeakPolarHBondContact CB-SG 3.35Å; C63-C69 PolarHBondContact O-N 3.15Å; C63-C69 PolarHBondContact O-SG 2.84Å; C63-C69 VanDerWaalsContact SG-CA 3.57Å; C63-C69 WeakPolarHBondContact SG-CB 3.39Å; C63-C69 CovalentContact SG-SG 2.06Å; C63-C69 PolarHBondContact SG-SG 3.4Å; G64-C69 VanDerWaalsContact CA-SG 3.54Å; G64-C69 PolarHBondContact N-SG 2.96Å; C69-D71 PolarHBondContact O-N 3.32Å; C69-D71 VanDerWaalsContact O-N 3.16Å
70	T	85	Confident	82.1	Confident	89 Å²	89	65.3 Å²	65.3	55%	0.546	32%	0.321	S	S	.	.	S	Bend	trans	-56.3	-34.7	-179	-49.1	0	0	0	0	111.9	N77	T70-N77 WeakPolarHBondContact CB-OD1 3.01Å; T70-N77 PolarHBondContact N-OD1 3.05Å; T70-N77 PolarHBondContact OG1-OD1 3.37Å
71	D	82.7	Confident	81.7	Confident	32 Å²	32	64.2 Å²	64.2	17%	0.171	32%	0.318	C	S	.	.	S	Bend	trans	-120.2	114.6	171.3	-170.9	-31.2	0	0	0	108.9	C69 K73 Y74 A80 Y82	C69-D71 PolarHBondContact O-N 3.32Å; C69-D71 VanDerWaalsContact O-N 3.16Å; D71-K73 PolarHBondContact O-N 3.32Å; D71-K73 VanDerWaalsContact O-N 3.14Å; D71-K73 WeakPolarHBondContact OD1-CB 3.24Å; D71-K73 PolarHBondContact OD1-N 3.34Å; D71-Y74 HydrophobicContact CB-CD2 3.86Å; D71-Y74 HydrophobicContact CB-CE2 4.48Å; D71-Y74 PolarHBondContact O-N 3.33Å; D71-Y74 WeakPolarHBondContact OD2-CE2 3.38Å; D71-A80 HydrophobicContact CB-CB 4.41Å; D71-Y82 HydrophobicContact CB-CE2 4.19Å; D71-Y82 PolarHBondContact OD2-OH 2.77Å
72	P	82.1	Confident	81.6	Confident	123 Å²	123	68.4 Å²	68.4	80%	0.799	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-8.9	-175.8	28.4	-34.9	0	0	0	113.7	Y74	P72-Y74 VanDerWaalsContact C-N 3.32Å
73	K	81.6	Confident	81	Confident	166 Å²	166	75.5 Å²	75.5	72%	0.722	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-19.3	177	-169.3	177.4	176.3	-175.4	0	113	D71	D71-K73 PolarHBondContact O-N 3.32Å; D71-K73 VanDerWaalsContact O-N 3.14Å; D71-K73 WeakPolarHBondContact OD1-CB 3.24Å; D71-K73 PolarHBondContact OD1-N 3.34Å
74	Y	81.2	Confident	80.9	Confident	73 Å²	73	80.8 Å²	80.8	29%	0.286	39%	0.385	S	S	.	.	S	Bend	trans	-111.9	154.9	-173.1	-64.6	-82	0	0	0	112.3	D71 P72 D79 A80	D71-Y74 HydrophobicContact CB-CD2 3.86Å; D71-Y74 HydrophobicContact CB-CE2 4.48Å; D71-Y74 PolarHBondContact O-N 3.33Å; D71-Y74 WeakPolarHBondContact OD2-CE2 3.38Å; P72-Y74 VanDerWaalsContact C-N 3.32Å; Y74-D79 HydrophobicContact CD1-CB 3.76Å; Y74-D79 WeakPolarHBondContact CD1-O 3.3Å; Y74-D79 VanDerWaalsContact CE1-O 3.31Å; Y74-D79 WeakPolarHBondContact CE1-O 3.4Å; Y74-D79 HydrophobicContact CG-CB 4.26Å; Y74-A80 HydrophobicContact CD2-CB 3.57Å; Y74-A80 HydrophobicContact CE2-CB 3.78Å; Y74-A80 HydrophobicContact CG-CB 4.01Å
75	Y	82.4	Confident	80.7	Confident	136 Å²	136	85.5 Å²	85.5	53%	0.533	40%	0.399	S	S	.	.	S	Bend	trans	-89.3	-17.4	-178.1	-65.1	-35.8	0	0	0	113.8	K60 C61 G64	K60-Y75 HydrophobicContact CD-CD1 4.04Å; K60-Y75 HydrophobicContact CD-CG 4.34Å; K60-Y75 HydrophobicContact CG-CD1 4.22Å; K60-Y75 HydrophobicContact CG-CG 4Å; C61-Y75 PolarHBondContact N-O 3.29Å; C61-Y75 VanDerWaalsContact N-O 3.09Å; G64-Y75 WeakPolarHBondContact CA-O 3.4Å
76	C	82.6	Confident	80.8	Confident	13 Å²	13	84.4 Å²	84.4	9%	0.088	39%	0.39	C	S	.	.	S	Bend	trans	-136.7	152	170.1	-63.3	0	0	0	0	109.8	C61 C78 D79 D88	C61-C76 HydrophobicContact CB-CB 3.77Å; C61-C76 WeakPolarHBondContact CB-SG 3.49Å; C61-C76 PolarHBondContact N-SG 3.49Å; C61-C76 WeakPolarHBondContact SG-CB 3.21Å; C61-C76 CovalentContact SG-SG 2.03Å; C61-C76 PolarHBondContact SG-SG 3.34Å; C76-C78 PolarHBondContact O-N 2.02Å; C76-D79 WeakPolarHBondContact CB-OD2 3.21Å; C76-D79 PolarHBondContact N-OD2 3.02Å; C76-D79 PolarHBondContact O-N 3.33Å; C76-D88 WeakPolarHBondContact CB-OD2 3.39Å
77	N	82.9	Confident	80.7	Confident	23 Å²	23	84 Å²	84	12%	0.123	39%	0.386	C	S	.	.	G	3₁₀ helix	trans	-63.4	-27.3	176.9	-66.9	-69.3	0	0	0	112	C63 T70 D79 R86 K87 D88	C63-N77 PolarHBondContact SG-ND2 2.91Å; T70-N77 WeakPolarHBondContact CB-OD1 3.01Å; T70-N77 PolarHBondContact N-OD1 3.05Å; T70-N77 PolarHBondContact OG1-OD1 3.37Å; N77-D79 VanDerWaalsContact C-N 3.33Å; N77-R86 HydrophobicContact CB-CB 4.04Å; N77-K87 PolarHBondContact ND2-O 3.16Å; N77-D88 WeakPolarHBondContact CB-OD1 3.46Å; N77-D88 PolarHBondContact N-OD1 3.45Å; N77-D88 PolarHBondContact N-OD2 2.98Å; N77-D88 VanDerWaalsContact N-OD2 3.09Å; N77-D88 PolarHBondContact ND2-OD1 2.74Å
78	C	78.7	Confident	80.6	Confident	6 Å²	6	73.7 Å²	73.7	4%	0.041	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-74.3	-18.8	178.5	-79.6	0	0	0	0	115	C23 W26 C76 A80 D88	C23-C78 HydrophobicContact CB-CB 3.83Å; C23-C78 WeakPolarHBondContact CB-SG 3.16Å; C23-C78 WeakPolarHBondContact SG-CA 3.43Å; C23-C78 WeakPolarHBondContact SG-CB 3.45Å; C23-C78 CovalentContact SG-SG 2.03Å; C23-C78 PolarHBondContact SG-SG 3.34Å; W26-C78 HydrophobicContact CE3-CB 3.71Å; W26-C78 VanDerWaalsContact CE3-O 3.24Å; W26-C78 HydrophobicContact CZ3-CB 3.78Å; C76-C78 PolarHBondContact O-N 2.02Å; C78-A80 PolarHBondContact O-N 2.8Å; C78-D88 WeakPolarHBondContact CB-OD2 3.32Å; C78-D88 PolarHBondContact N-OD2 2.93Å
79	D	77.4	Confident	80.3	Confident	35 Å²	35	71.5 Å²	71.5	19%	0.187	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-75.8	-8.7	-178.5	-54	-26.8	0	0	0	113.5	Y74 C76 N77 D81	Y74-D79 HydrophobicContact CD1-CB 3.76Å; Y74-D79 WeakPolarHBondContact CD1-O 3.3Å; Y74-D79 VanDerWaalsContact CE1-O 3.31Å; Y74-D79 WeakPolarHBondContact CE1-O 3.4Å; Y74-D79 HydrophobicContact CG-CB 4.26Å; C76-D79 WeakPolarHBondContact CB-OD2 3.21Å; C76-D79 PolarHBondContact N-OD2 3.02Å; C76-D79 PolarHBondContact O-N 3.33Å; N77-D79 VanDerWaalsContact C-N 3.33Å; D79-D81 PolarHBondContact O-N 3.24Å
80	A	73.1	Confident	80.1	Confident	6 Å²	6	71.4 Å²	71.4	5%	0.05	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-87.2	10	-166.3	0	0	0	0	0	115.6	D71 Y74 C78 Y82	D71-A80 HydrophobicContact CB-CB 4.41Å; Y74-A80 HydrophobicContact CD2-CB 3.57Å; Y74-A80 HydrophobicContact CE2-CB 3.78Å; Y74-A80 HydrophobicContact CG-CB 4.01Å; C78-A80 PolarHBondContact O-N 2.8Å; A80-Y82 HydrophobicContact CB-CD2 3.55Å; A80-Y82 HydrophobicContact CB-CE2 3.43Å; A80-Y82 VanDerWaalsContact CB-CE2 3.43Å; A80-Y82 HydrophobicContact CB-CG 4.45Å; A80-Y82 PolarHBondContact O-N 2.89Å
81	D	73.4	Confident	79.8	Confident	48 Å²	48	71.5 Å²	71.5	26%	0.257	34%	0.338	S	S	.	.			trans	44.2	37.1	177.5	-161.7	24.2	0	0	0	116	A25 W26 T27 D79 R110	A25-D81 WeakPolarHBondContact CA-OD1 3.42Å; W26-D81 PolarHBondContact N-OD1 2.68Å; W26-D81 WeakPolarHBondContact O-CA 3.06Å; W26-D81 WeakPolarHBondContact O-CB 3.27Å; W26-D81 PolarHBondContact O-N 2.96Å; W26-D81 VanDerWaalsContact O-N 3.12Å; T27-D81 HydrophobicContact CG2-CB 3.51Å; T27-D81 VanDerWaalsContact CG2-CG 3.49Å; T27-D81 VanDerWaalsContact CG2-OD2 3.31Å; T27-D81 WeakPolarHBondContact CG2-OD2 3.48Å; D79-D81 PolarHBondContact O-N 3.24Å; D81-R110 IonicContact OD1-NH1 3.05Å; D81-R110 IonicContact OD2-CZ 3.86Å; D81-R110 IonicContact OD2-NH1 2.79Å; D81-R110 PolarHBondContact OD2-NH1 3.22Å; D81-R110 IonicContact OD2-NH2 3.9Å
82	Y	78.3	Confident	79.7	Confident	94 Å²	94	70 Å²	70	37%	0.369	33%	0.33	S	S	.	.			trans	-86.1	139.7	-179	-70.4	-48	0	0	0	112.4	A25 D71 A80 Q84	A25-Y82 PolarHBondContact N-O 2.87Å; D71-Y82 HydrophobicContact CB-CE2 4.19Å; D71-Y82 PolarHBondContact OD2-OH 2.77Å; A80-Y82 HydrophobicContact CB-CD2 3.55Å; A80-Y82 HydrophobicContact CB-CE2 3.43Å; A80-Y82 VanDerWaalsContact CB-CE2 3.43Å; A80-Y82 HydrophobicContact CB-CG 4.45Å; A80-Y82 PolarHBondContact O-N 2.89Å; Y82-Q84 PolarHBondContact O-N 2.85Å; Y82-Q84 VanDerWaalsContact O-N 3.1Å
83	K	71.3	Confident	79.5	Confident	167 Å²	167	66.4 Å²	66.4	73%	0.726	31%	0.308	S	S	*	.	S	Bend	trans	-68.5	0.2	170.2	-64.1	-173.3	-178.4	-178.1	0	113.6	R24	R24-K83 WeakPolarHBondContact CG-O 3.47Å; R24-K83 PolarHBondContact NE-O 2.86Å; R24-K83 PolarHBondContact NH2-O 3.12Å
84	Q	80.6	Confident	79.4	Confident	123 Å²	123	63.4 Å²	63.4	58%	0.575	29%	0.292	S	S	*	.	S	Bend	trans	-100	146.7	173.1	-68	179.2	-8.6	0	0	109.1	Y82 R86	Y82-Q84 PolarHBondContact O-N 2.85Å; Y82-Q84 VanDerWaalsContact O-N 3.1Å; Q84-R86 PolarHBondContact O-N 3.46Å; Q84-R86 VanDerWaalsContact OE1-NH2 3.07Å
85	W	80.2	Confident	79.1	Confident	110 Å²	110	63 Å²	63	42%	0.417	29%	0.292	S	S	.	.			trans	-61.8	121.5	173.9	-75.5	102	0	0	0	110.6	L22 C23 R24 E114	L22-W85 HydrophobicContact CB-CE3 3.71Å; L22-W85 HydrophobicContact CB-CZ3 3.83Å; L22-W85 HydrophobicContact CD2-CE3 4.23Å; L22-W85 HydrophobicContact CG-CE3 4.47Å; C23-W85 WeakPolarHBondContact O-CA 3.5Å; R24-W85 HydrophobicContact CB-CD2 4.28Å; R24-W85 HydrophobicContact CB-CE3 4.3Å; R24-W85 HydrophobicContact CB-CZ3 4.48Å; W85-E114 HydrophobicContact CH2-CB 3.78Å; W85-E114 HydrophobicContact CZ2-CB 4.24Å; W85-E114 WeakPolarHBondContact CZ2-OE2 3.41Å
86	R	83.9	Confident	79.1	Confident	58 Å²	58	61.5 Å²	61.5	22%	0.219	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	154.8	171.1	-66.3	-60.3	-176.9	-137.9	-6.1	109.7	L22 C23 N77 Q84	L22-R86 CarbonylContact C-O 3.46Å; L22-R86 WeakPolarHBondContact CA-O 3.49Å; C23-R86 PolarHBondContact N-O 3.25Å; C23-R86 PolarHBondContact O-N 3.08Å; N77-R86 HydrophobicContact CB-CB 4.04Å; Q84-R86 PolarHBondContact O-N 3.46Å; Q84-R86 VanDerWaalsContact OE1-NH2 3.07Å
87	K	83.2	Confident	79.2	Confident	122 Å²	122	62.9 Å²	62.9	53%	0.53	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	129.5	-176.3	-178.9	-179	176	-176.6	0	110.7	C21 L22 N77	C21-K87 VanDerWaalsContact O-CA 3.26Å; C21-K87 WeakPolarHBondContact O-CA 3.38Å; L22-K87 HydrophobicContact CD1-CB 4.37Å; L22-K87 HydrophobicContact CD1-CD 4.15Å; L22-K87 HydrophobicContact CD1-CG 3.97Å; L22-K87 HydrophobicContact CG-CB 4.31Å; L22-K87 HydrophobicContact CG-CG 4.45Å; N77-K87 PolarHBondContact ND2-O 3.16Å
88	D	80.3	Confident	79.1	Confident	15 Å²	15	62 Å²	62	8%	0.08	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	131.1	164.4	-67.8	-54.7	0	0	0	108.5	S20 C21 C61 C76 N77 C78	S20-D88 CarbonylContact C-O 3.56Å; S20-D88 VanDerWaalsContact CA-O 3.24Å; S20-D88 WeakPolarHBondContact CA-O 3.47Å; C21-D88 PolarHBondContact N-O 3.2Å; C21-D88 PolarHBondContact O-N 2.98Å; C61-D88 HydrophobicContact CB-CB 4.35Å; C76-D88 WeakPolarHBondContact CB-OD2 3.39Å; N77-D88 WeakPolarHBondContact CB-OD1 3.46Å; N77-D88 PolarHBondContact N-OD1 3.45Å; N77-D88 PolarHBondContact N-OD2 2.98Å; N77-D88 VanDerWaalsContact N-OD2 3.09Å; N77-D88 PolarHBondContact ND2-OD1 2.74Å; C78-D88 WeakPolarHBondContact CB-OD2 3.32Å; C78-D88 PolarHBondContact N-OD2 2.93Å
89	A	80.9	Confident	79.3	Confident	48 Å²	48	64 Å²	64	40%	0.397	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	147.9	179.9	0	0	0	0	0	111.8	S19	S19-A89 VanDerWaalsContact O-CA 3.24Å; S19-A89 WeakPolarHBondContact O-CA 3.39Å
90	G	79.7	Confident	79.6	Confident	13 Å²	13	63.1 Å²	63.1	13%	0.134	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	173.3	-171.7	172.7	0	0	0	0	0	112	S19 G52	S19-G90 PolarHBondContact N-O 3.09Å; S19-G90 PolarHBondContact O-N 2.84Å; G52-G90 VanDerWaalsContact C-CA 3.48Å
91	F	78.9	Confident	80.1	Confident	90 Å²	90	65.5 Å²	65.5	40%	0.395	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	134	-175.4	-61.6	-75.5	0	0	0	112.6	W16 I17 V18 G52 G53	W16-F91 HydrophobicContact CB-CD1 4.31Å; W16-F91 HydrophobicContact CD2-CD1 4.39Å; W16-F91 HydrophobicContact CE3-CB 4.11Å; W16-F91 AromaticContact CE3-CD1 3.42Å; W16-F91 HydrophobicContact CE3-CD1 3.42Å; W16-F91 VanDerWaalsContact CE3-CD1 3.42Å; W16-F91 AromaticContact CE3-CD2 3.76Å; W16-F91 HydrophobicContact CE3-CD2 3.76Å; W16-F91 AromaticContact CE3-CE1 3.56Å; W16-F91 HydrophobicContact CE3-CE1 3.56Å; W16-F91 AromaticContact CE3-CE2 3.94Å; W16-F91 HydrophobicContact CE3-CE2 3.94Å; W16-F91 AromaticContact CE3-CG 3.48Å; W16-F91 HydrophobicContact CE3-CG 3.48Å; W16-F91 VanDerWaalsContact CE3-CG 3.48Å; W16-F91 AromaticContact CE3-CZ 3.82Å; W16-F91 HydrophobicContact CE3-CZ 3.82Å; W16-F91 HydrophobicContact CZ3-CB 4.44Å; W16-F91 HydrophobicContact CZ3-CD1 4.12Å; W16-F91 AromaticContact CZ3-CD2 3.57Å; W16-F91 HydrophobicContact CZ3-CD2 3.57Å; W16-F91 HydrophobicContact CZ3-CE1 4.16Å; W16-F91 AromaticContact CZ3-CE2 3.68Å; W16-F91 HydrophobicContact CZ3-CE2 3.68Å; W16-F91 AromaticContact CZ3-CG 3.79Å; W16-F91 HydrophobicContact CZ3-CG 3.79Å; W16-F91 AromaticContact CZ3-CZ 3.96Å; W16-F91 HydrophobicContact CZ3-CZ 3.96Å; I17-F91 VanDerWaalsContact O-CA 3.27Å; I17-F91 WeakPolarHBondContact O-CA 3.46Å; V18-F91 HydrophobicContact CG2-CD1 3.93Å; V18-F91 HydrophobicContact CG2-CE1 3.38Å; V18-F91 HydrophobicContact CG2-CZ 4.22Å; G52-F91 WeakPolarHBondContact CA-O 3.37Å; G53-F91 PolarHBondContact N-O 3.36Å
92	L	81.7	Confident	80.7	Confident	2 Å²	2	67.9 Å²	67.9	1%	0.01	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	119.6	162.2	-57.9	173.8	0	0	0	107.8	I17 W40 Y50 L98 V100	I17-L92 HydrophobicContact CB-CB 4.28Å; I17-L92 PolarHBondContact N-O 2.78Å; I17-L92 PolarHBondContact O-N 2.83Å; W40-L92 HydrophobicContact CD2-CD1 4.19Å; W40-L92 HydrophobicContact CH2-CD1 4.38Å; W40-L92 HydrophobicContact CZ2-CD1 3.84Å; W40-L92 HydrophobicContact CZ2-CD2 3.95Å; W40-L92 HydrophobicContact CZ2-CG 4.35Å; Y50-L92 HydrophobicContact CD2-CD2 4.22Å; Y50-L92 HydrophobicContact CE2-CD2 3.95Å; L92-L98 HydrophobicContact CB-CD1 4.48Å; L92-L98 HydrophobicContact CB-CD2 4.16Å; L92-L98 HydrophobicContact CD1-CD2 4.5Å; L92-L98 WeakPolarHBondContact O-CD1 3.44Å; L92-V100 HydrophobicContact CD1-CG2 3.56Å
93	S	77	Confident	81	Confident	46 Å²	46	64.9 Å²	64.9	32%	0.322	32%	0.32	S	S	.	.			trans	-121.5	-4.3	-171.3	54.9	0	0	0	0	115.5	L15 K95	L15-S93 VanDerWaalsContact O-CA 3.27Å; L15-S93 WeakPolarHBondContact O-CA 3.43Å; S93-K95 PolarHBondContact O-N 2.95Å; S93-K95 VanDerWaalsContact O-N 3.15Å
94	Y	80.7	Confident	81.5	Confident	103 Å²	103	58.6 Å²	58.6	40%	0.404	30%	0.295	S	S	.	.			trans	-79.8	102.7	-175.9	-76.1	-96.8	0	0	0	111.2	Y50 P56 D96 H97 L98	Y50-Y94 AromaticContact CE2-CD2 3.99Å; Y50-Y94 HydrophobicContact CE2-CD2 3.99Å; P56-Y94 WeakPolarHBondContact CD-OH 3.28Å; P56-Y94 HydrophobicContact CG-CD1 3.51Å; P56-Y94 HydrophobicContact CG-CD2 4Å; P56-Y94 HydrophobicContact CG-CE1 3.61Å; P56-Y94 HydrophobicContact CG-CE2 4.12Å; P56-Y94 HydrophobicContact CG-CG 3.71Å; Y94-D96 PolarHBondContact O-N 2.86Å; Y94-D96 VanDerWaalsContact O-N 3.16Å; Y94-H97 PolarHBondContact O-N 3.48Å; Y94-L98 WeakPolarHBondContact O-CG 3.14Å; Y94-L98 PolarHBondContact O-N 3.26Å
95	K	73.3	Confident	81.4	Confident	64 Å²	64	54.8 Å²	54.8	28%	0.278	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-39.1	-175.2	173	177.7	174.1	-129.4	0	114.1	L13 L15 S93 H97 L98	L13-K95 HydrophobicContact CB-CD 4.43Å; L15-K95 VanDerWaalsContact CD1-CA 3.5Å; L15-K95 HydrophobicContact CD1-CB 3.52Å; L15-K95 HydrophobicContact CD1-CD 4.31Å; L15-K95 HydrophobicContact CD1-CG 3.51Å; S93-K95 PolarHBondContact O-N 2.95Å; S93-K95 VanDerWaalsContact O-N 3.15Å; K95-H97 PolarHBondContact O-N 3.15Å; K95-L98 PolarHBondContact O-N 2.82Å
96	D	82.1	Confident	81	Confident	105 Å²	105	50.4 Å²	50.4	56%	0.561	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-17.3	-174.6	-64.4	-44	0	0	0	113.4	K43 Y94	K43-D96 VanDerWaalsContact CD-O 3.31Å; K43-D96 WeakPolarHBondContact CD-O 3.38Å; K43-D96 WeakPolarHBondContact CE-O 3.16Å; K43-D96 PolarHBondContact NZ-O 2.69Å; K43-D96 IonicContact NZ-OD1 3.62Å; Y94-D96 PolarHBondContact O-N 2.86Å; Y94-D96 VanDerWaalsContact O-N 3.16Å
97	H	84.7	Confident	80.3	Confident	42 Å²	42	49.9 Å²	49.9	19%	0.194	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-21.1	179.2	-58.9	160.9	0	0	0	112.4	W40 G42 K43 E46 H48 Y50 Y94 K95	W40-H97 HydrophobicContact CH2-CB 3.56Å; W40-H97 HydrophobicContact CZ2-CB 4.48Å; W40-H97 HydrophobicContact CZ3-CB 4.18Å; W40-H97 WeakPolarHBondContact CZ3-O 3.41Å; G42-H97 CarbonylContact C-O 3.49Å; G42-H97 WeakPolarHBondContact CA-O 3.32Å; K43-H97 PolarHBondContact N-O 3.06Å; K43-H97 VanDerWaalsContact N-O 3.08Å; E46-H97 IonicContact OE1-CD2 3.05Å; H48-H97 AromaticContact CE1-CD2 3.2Å; H48-H97 PolarHBondContact CE1-CD2 2.86Å; H48-H97 AromaticContact CE1-CE1 3.52Å; H48-H97 AromaticContact CE1-CG 3.19Å; H48-H97 AromaticContact CE1-ND1 3.41Å; H48-H97 PolarHBondContact CE1-ND1 3.34Å; H48-H97 AromaticContact CE1-NE2 3.44Å; H48-H97 PolarHBondContact CE1-NE2 3.17Å; H48-H97 AromaticContact ND1-CE1 3.95Å; H48-H97 AromaticContact ND1-CG 3.93Å; H48-H97 AromaticContact ND1-ND1 3.76Å; H48-H97 VanDerWaalsContact NE2-CB 3.29Å; H48-H97 WeakPolarHBondContact NE2-CB 3.46Å; H48-H97 AromaticContact NE2-CD2 3.43Å; H48-H97 PolarHBondContact NE2-CD2 2.93Å; H48-H97 AromaticContact NE2-CG 3.25Å; H48-H97 AromaticContact NE2-ND1 3.88Å; Y50-H97 AromaticContact CE1-ND1 3.64Å; Y50-H97 AromaticContact CZ-ND1 3.58Å; Y50-H97 WeakPolarHBondContact OH-CB 3.41Å; Y50-H97 PolarHBondContact OH-ND1 3.46Å; Y94-H97 PolarHBondContact O-N 3.48Å; K95-H97 PolarHBondContact O-N 3.15Å
98	L	82.8	Confident	79.5	Confident	5 Å²	5	47.6 Å²	47.6	3%	0.026	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-90.8	153.1	-175.3	-66.8	179	0	0	0	113	L15 I17 W40 K43 L92 Y94 K95 V100	L15-L98 HydrophobicContact CB-CD1 3.39Å; L15-L98 HydrophobicContact CD2-CB 4.21Å; L15-L98 HydrophobicContact CD2-CD1 4.49Å; L15-L98 HydrophobicContact CG-CD1 4.37Å; I17-L98 HydrophobicContact CD1-CD1 4.18Å; I17-L98 HydrophobicContact CD1-CD2 3.39Å; I17-L98 HydrophobicContact CD1-CG 4.29Å; I17-L98 HydrophobicContact CG1-CD1 4.38Å; I17-L98 HydrophobicContact CG1-CD2 4.35Å; W40-L98 HydrophobicContact CH2-CD2 3.82Å; W40-L98 HydrophobicContact CZ3-CD2 4.04Å; K43-L98 WeakPolarHBondContact CB-O 3.38Å; K43-L98 WeakPolarHBondContact CD-O 3.25Å; L92-L98 HydrophobicContact CB-CD1 4.48Å; L92-L98 HydrophobicContact CB-CD2 4.16Å; L92-L98 HydrophobicContact CD1-CD2 4.5Å; L92-L98 WeakPolarHBondContact O-CD1 3.44Å; Y94-L98 WeakPolarHBondContact O-CG 3.14Å; Y94-L98 PolarHBondContact O-N 3.26Å; K95-L98 PolarHBondContact O-N 2.82Å; L98-V100 HydrophobicContact CD2-CG2 3.82Å
99	P	81.4	Confident	78.9	Confident	49 Å²	49	54.9 Å²	54.9	32%	0.318	31%	0.306	S	S	.	.	S	Bend	cis	-76.3	159.4	4.9	30.5	-36.5	0	0	0	114.4	G42 K43 S101 L122	G42-P99 CarbonylContact C-O 3.51Å; K43-P99 PolarHBondContact N-O 2.9Å; P99-S101 PolarHBondContact O-N 2.79Å; P99-L122 HydrophobicContact CB-CD1 4.42Å; P99-L122 HydrophobicContact CB-CD2 4.23Å
100	V	84.4	Confident	78.4	Confident	15 Å²	15	58.2 Å²	58.2	9%	0.091	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-68.6	116.3	167.6	178.6	0	0	0	0	108.2	I17 W40 L92 L98 V103 V119	I17-V100 HydrophobicContact CD1-CB 4.31Å; I17-V100 HydrophobicContact CD1-CG2 3.73Å; W40-V100 HydrophobicContact CB-CG1 4.23Å; W40-V100 HydrophobicContact CD2-CG2 4.15Å; W40-V100 HydrophobicContact CE3-CB 4.33Å; W40-V100 HydrophobicContact CE3-CG1 4.31Å; W40-V100 HydrophobicContact CE3-CG2 3.69Å; W40-V100 HydrophobicContact CZ3-CG2 3.91Å; L92-V100 HydrophobicContact CD1-CG2 3.56Å; L98-V100 HydrophobicContact CD2-CG2 3.82Å; V100-V103 HydrophobicContact CG1-CG2 3.63Å; V100-V119 HydrophobicContact CB-CG1 4.38Å
101	S	83.6	Confident	77.7	Confident	57 Å²	57	67.2 Å²	67.2	40%	0.399	35%	0.347	S	S	.	.			trans	-92.1	-33.1	178.8	58	0	0	0	0	112	V41 G42 P99	V41-S101 PolarHBondContact O-N 2.83Å; V41-S101 PolarHBondContact O-OG 2.97Å; G42-S101 PolarHBondContact O-OG 2.73Å; G42-S101 VanDerWaalsContact O-OG 3.09Å; P99-S101 PolarHBondContact O-N 2.79Å
102	Q	84.8	Confident	77.1	Confident	98 Å²	98	65.1 Å²	65.1	46%	0.458	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	150.9	-179.6	-179.2	177.7	-6.8	0	0	110.3	W40 V41 V104	W40-Q102 CarbonylContact C-O 3.48Å; W40-Q102 WeakPolarHBondContact CA-O 3.4Å; V41-Q102 HydrophobicContact CB-CB 4.07Å; V41-Q102 HydrophobicContact CG2-CB 4.15Å; V41-Q102 PolarHBondContact N-O 3.06Å; Q102-V104 HydrophobicContact CG-CG2 4.22Å
103	V	84.9	Confident	76.6	Confident	30 Å²	30	65.5 Å²	65.5	18%	0.182	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	137.8	164.5	-175.9	0	0	0	0	109.6	W40 W51 V100 V105 L117 V119	W40-V103 HydrophobicContact CB-CB 4.45Å; W40-V103 HydrophobicContact CB-CG1 4.41Å; W40-V103 HydrophobicContact CB-CG2 3.85Å; W51-V103 HydrophobicContact CH2-CG1 3.58Å; W51-V103 HydrophobicContact CZ2-CG1 4.07Å; V100-V103 HydrophobicContact CG1-CG2 3.63Å; V103-V105 HydrophobicContact CG1-CG2 4.47Å; V103-L117 HydrophobicContact CB-CD2 3.46Å; V103-L117 VanDerWaalsContact CB-CD2 3.46Å; V103-L117 HydrophobicContact CG1-CD2 3.37Å; V103-L117 HydrophobicContact CG2-CD2 3.7Å; V103-V119 HydrophobicContact CG2-CG2 3.93Å
104	V	82.4	Confident	76.6	Confident	35 Å²	35	68 Å²	68	21%	0.212	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	131.1	176.3	-174	0	0	0	0	109.2	T38 W39 Q102	T38-V104 WeakPolarHBondContact CA-O 3.09Å; W39-V104 HydrophobicContact CD2-CB 4.06Å; W39-V104 HydrophobicContact CD2-CG1 4.47Å; W39-V104 HydrophobicContact CH2-CB 4.29Å; W39-V104 HydrophobicContact CH2-CG1 3.68Å; W39-V104 HydrophobicContact CZ2-CB 3.75Å; W39-V104 HydrophobicContact CZ2-CG1 3.5Å; W39-V104 VanDerWaalsContact CZ2-CG1 3.5Å; W39-V104 HydrophobicContact CZ2-CG2 4.03Å; W39-V104 HydrophobicContact CZ3-CG1 4.24Å; W39-V104 PolarHBondContact N-O 2.84Å; W39-V104 VanDerWaalsContact N-O 3.1Å; W39-V104 PolarHBondContact O-N 2.83Å; W39-V104 VanDerWaalsContact O-O 3.11Å; Q102-V104 HydrophobicContact CG-CG2 4.22Å
105	V	77.5	Confident	76.4	Confident	43 Å²	43	65 Å²	65	26%	0.261	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	121.7	175.1	-177.9	0	0	0	0	107.5	T38 V103 T108 A115	T38-V105 HydrophobicContact CG2-CB 4.23Å; T38-V105 HydrophobicContact CG2-CG1 3.86Å; T38-V105 HydrophobicContact CG2-CG2 4.31Å; V103-V105 HydrophobicContact CG1-CG2 4.47Å; V105-T108 HydrophobicContact CG1-CG2 4.1Å; V105-A115 HydrophobicContact CG1-CB 3.68Å
106	G	72.1	Confident	76.7	Confident	18 Å²	18	69 Å²	69	19%	0.186	38%	0.375	C	S	.	.			trans	-105.4	176.1	177.2	0	0	0	0	0	113	W26 Y37 T108	W26-G106 PolarHBondContact NE1-O 2.77Å; Y37-G106 WeakPolarHBondContact O-CA 3.26Å; Y37-G106 PolarHBondContact O-N 3.06Å; G106-T108 VanDerWaalsContact C-N 3.35Å; G106-T108 PolarHBondContact O-N 3.1Å
107	D	70.3	Confident	76.4	Confident	48 Å²	48	66.3 Å²	66.3	26%	0.257	36%	0.36	S	S	.	.			trans	60.8	35.8	-178.2	-168.4	48.9	0	0	0	114.5	T27 Y37 S113	T27-D107 PolarHBondContact N-OD2 3.35Å; Y37-D107 HydrophobicContact CD1-CB 4.13Å; Y37-D107 HydrophobicContact CG-CB 4.37Å; D107-S113 WeakPolarHBondContact O-CB 3.35Å; D107-S113 PolarHBondContact O-OG 3.07Å
108	T	66.4	Low	76	Confident	73 Å²	73	67.3 Å²	67.3	45%	0.448	37%	0.372	S	S	.	.			trans	-96.4	-2.3	175.6	52	0	0	0	0	114	V105 G106 R110 A115	V105-T108 HydrophobicContact CG1-CG2 4.1Å; G106-T108 VanDerWaalsContact C-N 3.35Å; G106-T108 PolarHBondContact O-N 3.1Å; T108-R110 VanDerWaalsContact C-N 3.31Å; T108-A115 HydrophobicContact CG2-CB 4.36Å
109	D	66.4	Low	75.9	Confident	169 Å²	169	70 Å²	70	90%	0.904	39%	0.388	S	S	*	.			trans	-87.2	-1.6	-177.5	-158.2	25.4	0	0	0	112.9
110	R	70.4	Confident	75.5	Confident	118 Å²	118	68.6 Å²	68.6	45%	0.445	38%	0.383	S	S	.	.	S	Bend	trans	-82.4	136.5	176.3	-173.1	177.2	177.8	-155.1	-9.2	110.3	T27 D81 T108 G112 S113	T27-R110 PolarHBondContact OG1-NH1 2.7Å; D81-R110 IonicContact OD1-NH1 3.05Å; D81-R110 IonicContact OD2-CZ 3.86Å; D81-R110 IonicContact OD2-NH1 2.79Å; D81-R110 PolarHBondContact OD2-NH1 3.22Å; D81-R110 IonicContact OD2-NH2 3.9Å; T108-R110 VanDerWaalsContact C-N 3.31Å; R110-G112 PolarHBondContact O-N 2.82Å; R110-G112 VanDerWaalsContact O-N 3.07Å; R110-S113 VanDerWaalsContact O-CB 3.32Å; R110-S113 WeakPolarHBondContact O-CB 2.99Å; R110-S113 PolarHBondContact O-N 2.94Å
111	Q	65.8	Low	74.8	Confident	202 Å²	202	72.4 Å²	72.4	94%	0.944	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	116.3	177.7	-111.5	-173.6	-3.7	0	0	111.7
112	G	66.9	Low	74.1	Confident	46 Å²	46	72.3 Å²	72.3	47%	0.474	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.2	-3.7	-179.8	0	0	0	0	0	115.5	A25 R110	A25-G112 WeakPolarHBondContact CB-O 3.4Å; R110-G112 PolarHBondContact O-N 2.82Å; R110-G112 VanDerWaalsContact O-N 3.07Å
113	S	70.6	Confident	73.1	Confident	10 Å²	10	75.9 Å²	75.9	7%	0.07	41%	0.412	C	S	.	.			trans	-77.8	116.5	174.1	-176.1	0	0	0	0	110.3	R24 A25 D107 R110	R24-S113 VanDerWaalsContact O-CA 3.29Å; R24-S113 WeakPolarHBondContact O-CA 3.4Å; A25-S113 WeakPolarHBondContact O-CA 3.46Å; A25-S113 WeakPolarHBondContact O-CB 3.28Å; D107-S113 WeakPolarHBondContact O-CB 3.35Å; D107-S113 PolarHBondContact O-OG 3.07Å; R110-S113 VanDerWaalsContact O-CB 3.32Å; R110-S113 WeakPolarHBondContact O-CB 2.99Å; R110-S113 PolarHBondContact O-N 2.94Å
114	E	76.3	Confident	71.8	Confident	98 Å²	98	77.2 Å²	77.2	46%	0.458	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	138.9	177.5	-69.3	178.6	-154.4	0	0	110.2	C23 R24 W85	C23-E114 CarbonylContact C-O 3.44Å; C23-E114 VanDerWaalsContact CA-O 3.27Å; C23-E114 WeakPolarHBondContact CA-O 3.23Å; R24-E114 HydrophobicContact CB-CB 4.49Å; R24-E114 PolarHBondContact N-O 3.29Å; R24-E114 PolarHBondContact O-N 3.45Å; W85-E114 HydrophobicContact CH2-CB 3.78Å; W85-E114 HydrophobicContact CZ2-CB 4.24Å; W85-E114 WeakPolarHBondContact CZ2-OE2 3.41Å
115	A	76.5	Confident	70.5	Confident	41 Å²	41	80 Å²	80	34%	0.339	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	136.1	175.7	0	0	0	0	0	111.4	L22 V105 T108	L22-A115 CarbonylContact O-C 3.48Å; L22-A115 VanDerWaalsContact O-CA 3.26Å; L22-A115 WeakPolarHBondContact O-CA 3.18Å; V105-A115 HydrophobicContact CG1-CB 3.68Å; T108-A115 HydrophobicContact CG2-CB 4.36Å
116	K	79.4	Confident	69.3	Low	148 Å²	148	79.3 Å²	79.3	64%	0.643	43%	0.434	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.7	124.1	174.6	-178.4	176.2	-177.1	175.9	0	109.6	C21 L22	C21-K116 CarbonylContact C-O 3.59Å; L22-K116 HydrophobicContact CB-CB 4.21Å; L22-K116 PolarHBondContact N-O 2.88Å; L22-K116 PolarHBondContact O-N 3.24Å
117	L	76.7	Confident	68.7	Low	48 Å²	48	81.3 Å²	81.3	25%	0.251	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	139.1	-178.9	-174.5	87.8	0	0	0	111	S20 C21 W51 V103 V119	S20-L117 WeakPolarHBondContact O-CA 3.15Å; C21-L117 HydrophobicContact CB-CD1 4.04Å; W51-L117 HydrophobicContact CH2-CD1 3.58Å; W51-L117 HydrophobicContact CZ3-CD1 3.86Å; V103-L117 HydrophobicContact CB-CD2 3.46Å; V103-L117 VanDerWaalsContact CB-CD2 3.46Å; V103-L117 HydrophobicContact CG1-CD2 3.37Å; V103-L117 HydrophobicContact CG2-CD2 3.7Å; L117-V119 HydrophobicContact CD2-CG2 3.95Å; L117-V119 HydrophobicContact CG-CG2 4.45Å
118	S	76.8	Confident	68.2	Low	63 Å²	63	88.3 Å²	88.3	44%	0.441	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	132.4	164.8	57	0	0	0	0	111.3	S20	S20-S118 PolarHBondContact N-O 2.8Å; S20-S118 PolarHBondContact O-N 2.76Å; S20-S118 PolarHBondContact OG-OG 3.49Å
119	V	79.6	Confident	68.1	Low	60 Å²	60	87.7 Å²	87.7	36%	0.364	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	117	172.5	-176.7	0	0	0	0	107.3	I17 V100 V103 L117	I17-V119 HydrophobicContact CG2-CG1 3.46Å; I17-V119 VanDerWaalsContact CG2-CG1 3.46Å; V100-V119 HydrophobicContact CB-CG1 4.38Å; V103-V119 HydrophobicContact CG2-CG2 3.93Å; L117-V119 HydrophobicContact CD2-CG2 3.95Å; L117-V119 HydrophobicContact CG-CG2 4.45Å
120	G	72.9	Confident	68.1	Low	21 Å²	21	83.5 Å²	83.5	22%	0.216	43%	0.43	C	S	.	.			trans	-70.2	165.9	177.6	0	0	0	0	0	112.9	V18	V18-G120 PolarHBondContact O-N 3.44Å
121	P	69.9	Low	68.2	Low	95 Å²	95	84.6 Å²	84.6	62%	0.617	43%	0.434	S	S	*	.			trans	-61.8	146.4	178.3	27.4	-35	0	0	0	111.1	R123	P121-R123 PolarHBondContact O-N 2.92Å; P121-R123 VanDerWaalsContact O-N 3.13Å
122	L	69.8	Low	69.1	Low	55 Å²	55	75.3 Å²	75.3	29%	0.288	39%	0.391	S	S	.	.			trans	-62.1	113	171.2	-168.9	69.1	0	0	0	109.4	L15 I17 P99	L15-L122 HydrophobicContact CB-CD1 4.28Å; L15-L122 HydrophobicContact CD2-CD1 3.29Å; L15-L122 HydrophobicContact CD2-CD2 3.73Å; L15-L122 HydrophobicContact CD2-CG 3.67Å; L15-L122 HydrophobicContact CG-CD1 4.37Å; I17-L122 HydrophobicContact CD1-CD1 3.72Å; I17-L122 HydrophobicContact CG1-CD1 3.72Å; P99-L122 HydrophobicContact CB-CD1 4.42Å; P99-L122 HydrophobicContact CB-CD2 4.23Å
123	R	63.5	Low	70.1	Confident	172 Å²	172	73.4 Å²	73.4	65%	0.649	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101	126.5	173.7	-60.7	-172.8	175.9	-167.2	-2.3	110.3	L15 W16 P121	L15-R123 WeakPolarHBondContact CA-O 3.42Å; W16-R123 HydrophobicContact CB-CB 4.17Å; W16-R123 PolarHBondContact N-O 3.29Å; W16-R123 PolarHBondContact O-N 3.43Å; P121-R123 PolarHBondContact O-N 2.92Å; P121-R123 VanDerWaalsContact O-N 3.13Å
124	C	58.3	Low	71.1	Confident	58 Å²	58	72.9 Å²	72.9	39%	0.392	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	110.1	-179.5	-68.3	0	0	0	0	109	C9 L13	C9-C124 HydrophobicContact CB-CB 3.95Å; C9-C124 WeakPolarHBondContact CB-SG 3.33Å; C9-C124 WeakPolarHBondContact SG-CB 3.19Å; C9-C124 CovalentContact SG-SG 2.01Å; C9-C124 PolarHBondContact SG-SG 2.97Å; L13-C124 VanDerWaalsContact CD2-CA 3.48Å; L13-C124 HydrophobicContact CD2-CB 3.28Å
125	Q	53.8	Low	71.7	Confident	94 Å²	94	69 Å²	69	44%	0.439	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	121.7	172	-166.9	170	18.5	0	0	107
126	G	52.3	Low	72.3	Confident	29 Å²	29	67.1 Å²	67.1	30%	0.299	34%	0.335	S	S	.	.			trans	-70.3	175.6	-174.7	0	0	0	0	0	113.4	R128 W131	G126-R128 PolarHBondContact O-N 2.95Å; G126-R128 VanDerWaalsContact O-N 3.17Å; G126-W131 VanDerWaalsContact CA-CD1 3.49Å
127	D	61.2	Low	72.3	Confident	60 Å²	60	61.8 Å²	61.8	32%	0.321	32%	0.315	S	S	.	.			trans	-48.4	117.3	-179.1	-178.8	4.6	0	0	0	112.2	N129 Y130 W131	D127-N129 PolarHBondContact O-N 3.29Å; D127-N129 WeakPolarHBondContact OD1-CB 3.4Å; D127-N129 PolarHBondContact OD1-N 2.94Å; D127-N129 PolarHBondContact OD1-ND2 2.87Å; D127-N129 VanDerWaalsContact OD1-ND2 3.16Å; D127-Y130 PolarHBondContact O-N 2.9Å; D127-W131 VanDerWaalsContact O-CD1 3.23Å; D127-W131 PolarHBondContact O-N 3.42Å
128	R	58	Low	72.4	Confident	195 Å²	195	62.8 Å²	62.8	74%	0.736	32%	0.321	S	S	*	.	H	α-helix	trans	-50.2	-31.6	176	-86.1	-174.2	167.7	-172.8	-4.6	111.6	G126 N132	G126-R128 PolarHBondContact O-N 2.95Å; G126-R128 VanDerWaalsContact O-N 3.17Å; R128-N132 WeakPolarHBondContact O-CB 3.41Å; R128-N132 PolarHBondContact O-N 3.14Å; R128-N132 VanDerWaalsContact O-N 3.12Å
129	N	65.3	Low	72.5	Confident	60 Å²	60	61.3 Å²	61.3	32%	0.321	31%	0.31	S	S	.	.	H	α-helix	trans	-73.1	-39.6	179	-57.7	-48.4	0	0	0	113.1	D127 S272 T279	D127-N129 PolarHBondContact O-N 3.29Å; D127-N129 WeakPolarHBondContact OD1-CB 3.4Å; D127-N129 PolarHBondContact OD1-N 2.94Å; D127-N129 PolarHBondContact OD1-ND2 2.87Å; D127-N129 VanDerWaalsContact OD1-ND2 3.16Å; N129-S272 VanDerWaalsContact O-CA 3.3Å; N129-S272 WeakPolarHBondContact O-CA 3.38Å; N129-S272 VanDerWaalsContact O-CB 3.29Å; N129-S272 WeakPolarHBondContact O-CB 3.25Å; N129-S272 PolarHBondContact O-OG 3.25Å; N129-T279 HydrophobicContact CB-CG2 4.42Å
130	Y	66	Low	72.6	Confident	81 Å²	81	63 Å²	63	32%	0.318	32%	0.324	S	S	.	.	H	α-helix	trans	-76.9	-37.9	-178.7	-176.4	-98.8	0	0	0	112.5	D127 Y159 R271	D127-Y130 PolarHBondContact O-N 2.9Å; Y130-Y159 HydrophobicContact CD2-CE2 4.33Å; Y130-Y159 HydrophobicContact CE2-CE2 4.02Å; Y130-R271 PolarHBondContact OH-NH1 3.49Å; Y130-R271 PolarHBondContact OH-NH2 2.89Å
131	W	71.9	Confident	72.9	Confident	141 Å²	141	62.9 Å²	62.9	53%	0.534	32%	0.32	S	S	.	.	H	α-helix	trans	-88.7	-7.4	-177.7	-63.6	99.1	0	0	0	114.1	G126 D127 A133	G126-W131 VanDerWaalsContact CA-CD1 3.49Å; D127-W131 VanDerWaalsContact O-CD1 3.23Å; D127-W131 PolarHBondContact O-N 3.42Å; W131-A133 PolarHBondContact O-N 2.73Å
132	N	85.1	Confident	73.9	Confident	6 Å²	6	63.4 Å²	63.4	3%	0.032	31%	0.31	C	S	.	.			trans	-60.7	104.5	170.4	167.6	31.8	0	0	0	109.8	R128 R271 S272 L280 L282 E283	R128-N132 WeakPolarHBondContact O-CB 3.41Å; R128-N132 PolarHBondContact O-N 3.14Å; R128-N132 VanDerWaalsContact O-N 3.12Å; N132-R271 CarbonylContact O-C 3.56Å; N132-R271 WeakPolarHBondContact O-CA 3.29Å; N132-R271 WeakPolarHBondContact O-CB 3.42Å; N132-S272 PolarHBondContact O-N 3.22Å; N132-L280 PolarHBondContact ND2-O 3.47Å; N132-L282 WeakPolarHBondContact OD1-CA 3.41Å; N132-L282 WeakPolarHBondContact OD1-CB 3.33Å; N132-L282 PolarHBondContact OD1-N 2.82Å; N132-E283 PolarHBondContact OD1-N 3.13Å
133	A	89.1	Confident	74.9	Confident	6 Å²	6	60.8 Å²	60.8	5%	0.05	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	147.8	-171.3	0	0	0	0	0	111.8	W131 I270 R271 R295 C296	W131-A133 PolarHBondContact O-N 2.73Å; A133-I270 VanDerWaalsContact CA-O 3.26Å; A133-I270 WeakPolarHBondContact CA-O 3.46Å; A133-R271 HydrophobicContact CB-CB 3.56Å; A133-R295 WeakPolarHBondContact O-CA 3.46Å; A133-R295 PolarHBondContact O-N 3.17Å; A133-C296 HydrophobicContact CB-CB 4.38Å
134	A	90.2	Very high	76.3	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	145.5	171.1	0	0	0	0	0	110.2	F136 L143 C269 I270 L282 A286	A134-F136 HydrophobicContact CB-CE2 4.12Å; A134-F136 HydrophobicContact CB-CZ 4.31Å; A134-L143 HydrophobicContact CB-CD1 3.89Å; A134-C269 WeakPolarHBondContact O-CA 3.35Å; A134-I270 PolarHBondContact N-O 3.23Å; A134-I270 PolarHBondContact O-N 2.84Å; A134-L282 HydrophobicContact CB-CB 3.89Å; A134-A286 HydrophobicContact CB-CB 3.93Å
135	S	88.8	Confident	77.9	Confident	16 Å²	16	54.1 Å²	54.1	11%	0.112	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	136.7	169.6	-54.9	0	0	0	0	110.2	P137 G268 C269 I293 R295	S135-P137 VanDerWaalsContact O-CD 3.29Å; S135-P137 WeakPolarHBondContact O-CD 3.46Å; S135-G268 CarbonylContact C-O 3.51Å; S135-G268 WeakPolarHBondContact CA-O 3.48Å; S135-C269 PolarHBondContact OG-SG 2.75Å; S135-I293 PolarHBondContact N-O 3.06Å; S135-I293 VanDerWaalsContact N-O 3.09Å; S135-R295 PolarHBondContact OG-O 2.96Å
136	F	88.8	Confident	79.8	Confident	2 Å²	2	54.2 Å²	54.2	1%	0.009	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	92.2	179.2	-61.5	-94.9	0	0	0	107.5	A134 L143 V257 G258 F266 G268 I270 F292	A134-F136 HydrophobicContact CB-CE2 4.12Å; A134-F136 HydrophobicContact CB-CZ 4.31Å; F136-L143 HydrophobicContact CE1-CB 4.47Å; F136-L143 HydrophobicContact CE1-CD1 4.17Å; F136-L143 HydrophobicContact CE1-CG 3.94Å; F136-L143 HydrophobicContact CZ-CD1 3.97Å; F136-L143 HydrophobicContact CZ-CG 4.26Å; F136-V257 HydrophobicContact CE1-CG1 4.45Å; F136-V257 VanDerWaalsContact CE1-O 3.26Å; F136-V257 WeakPolarHBondContact CE1-O 3.3Å; F136-V257 HydrophobicContact CZ-CG1 3.92Å; F136-G258 VanDerWaalsContact CE1-CA 3.5Å; F136-F266 HydrophobicContact CB-CD1 4.32Å; F136-F266 VanDerWaalsContact CB-O 3.25Å; F136-F266 WeakPolarHBondContact CB-O 3.36Å; F136-F266 AromaticContact CD2-CD1 3.99Å; F136-F266 HydrophobicContact CD2-CD1 3.99Å; F136-F266 HydrophobicContact CD2-CE1 4.21Å; F136-F266 HydrophobicContact CG-CD1 4.21Å; F136-G268 PolarHBondContact N-O 2.91Å; F136-G268 PolarHBondContact O-N 2.76Å; F136-G268 VanDerWaalsContact O-N 3.16Å; F136-I270 HydrophobicContact CD2-CD1 4.36Å; F136-I270 HydrophobicContact CD2-CG1 4.17Å; F136-I270 HydrophobicContact CE2-CB 3.81Å; F136-I270 HydrophobicContact CE2-CD1 3.77Å; F136-I270 HydrophobicContact CE2-CG1 3.7Å; F136-I270 HydrophobicContact CZ-CD1 4.08Å; F136-I270 HydrophobicContact CZ-CG1 4.46Å; F136-F292 HydrophobicContact CD1-CD1 4.34Å; F136-F292 AromaticContact CD1-CE1 3.58Å; F136-F292 HydrophobicContact CD1-CE1 3.58Å; F136-F292 HydrophobicContact CE1-CD1 4.47Å; F136-F292 AromaticContact CE1-CE1 3.79Å; F136-F292 HydrophobicContact CE1-CE1 3.79Å; F136-F292 HydrophobicContact CG-CE1 4.41Å
137	P	79.6	Confident	81.7	Confident	35 Å²	35	54.5 Å²	54.5	23%	0.227	27%	0.274	C	S	.	.			trans	-77.8	-26.6	-171.9	28.9	-32.7	0	0	0	112.1	S135 G291 H318	S135-P137 VanDerWaalsContact O-CD 3.29Å; S135-P137 WeakPolarHBondContact O-CD 3.46Å; P137-G291 WeakPolarHBondContact CG-O 3.5Å; P137-H318 PolarHBondContact O-CE1 2.72Å; P137-H318 PolarHBondContact O-ND1 2.97Å
138	N	79.9	Confident	83.2	Confident	70 Å²	70	52.5 Å²	52.5	37%	0.374	26%	0.262	S	S	.	.	S	Bend	trans	-120.1	132.3	-175.8	-179.8	-3.9	0	0	0	110.4	S140 S141	N138-S140 PolarHBondContact O-N 3.23Å; N138-S140 VanDerWaalsContact O-N 3.08Å; N138-S140 PolarHBondContact OD1-N 2.77Å; N138-S141 WeakPolarHBondContact O-CB 3.34Å; N138-S141 PolarHBondContact O-N 3.01Å; N138-S141 PolarHBondContact O-OG 2.79Å
139	P	79.2	Confident	84.6	Confident	32 Å²	32	49.8 Å²	49.8	21%	0.208	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-15	174.9	25.9	-36.3	0	0	0	113.7	G265	P139-G265 WeakPolarHBondContact O-CA 3.32Å; P139-G265 PolarHBondContact O-N 2.97Å
140	S	80.7	Confident	85.3	Confident	96 Å²	96	47.1 Å²	47.1	67%	0.671	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-3.2	172.5	-52.7	0	0	0	0	113.6	N138	N138-S140 PolarHBondContact O-N 3.23Å; N138-S140 VanDerWaalsContact O-N 3.08Å; N138-S140 PolarHBondContact OD1-N 2.77Å
141	S	80.1	Confident	86.2	Confident	17 Å²	17	47 Å²	47	12%	0.119	25%	0.247	C	C	.	.			trans	-94.8	137.2	-175.8	72.2	0	0	0	0	111.5	N138 G258	N138-S141 WeakPolarHBondContact O-CB 3.34Å; N138-S141 PolarHBondContact O-N 3.01Å; N138-S141 PolarHBondContact O-OG 2.79Å; S141-G258 VanDerWaalsContact O-O 3.09Å
142	Y	89.8	Confident	86.7	Confident	106 Å²	106	43.8 Å²	43.8	42%	0.416	24%	0.243	S	C	.	.			trans	-139.1	151.8	173.1	55.3	-95.4	0	0	0	111.5	F256 V257 F292	Y142-F256 AromaticContact CD2-CD1 3.4Å; Y142-F256 HydrophobicContact CD2-CD1 3.4Å; Y142-F256 AromaticContact CD2-CE1 3.86Å; Y142-F256 HydrophobicContact CD2-CE1 3.86Å; Y142-F256 AromaticContact CE2-CD1 3.61Å; Y142-F256 HydrophobicContact CE2-CD1 3.61Å; Y142-F256 AromaticContact CE2-CE1 3.53Å; Y142-F256 HydrophobicContact CE2-CE1 3.53Å; Y142-F256 HydrophobicContact CG-CD1 4Å; Y142-V257 CarbonylContact C-O 3.33Å; Y142-V257 WeakPolarHBondContact CA-O 3.12Å; Y142-F292 VanDerWaalsContact C-CZ 3.42Å; Y142-F292 VanDerWaalsContact O-CZ 3.3Å; Y142-F292 WeakPolarHBondContact O-CZ 2.93Å
143	L	92.1	Very high	87	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	136.1	165.3	-63.6	179.4	0	0	0	108.6	A134 F136 F145 V257 L282 R285 T289 F292	A134-L143 HydrophobicContact CB-CD1 3.89Å; F136-L143 HydrophobicContact CE1-CB 4.47Å; F136-L143 HydrophobicContact CE1-CD1 4.17Å; F136-L143 HydrophobicContact CE1-CG 3.94Å; F136-L143 HydrophobicContact CZ-CD1 3.97Å; F136-L143 HydrophobicContact CZ-CG 4.26Å; L143-F145 HydrophobicContact CB-CE2 3.91Å; L143-V257 HydrophobicContact CB-CB 4.47Å; L143-V257 PolarHBondContact N-O 2.88Å; L143-V257 PolarHBondContact O-N 3.13Å; L143-L282 HydrophobicContact CD1-CD2 4.43Å; L143-R285 HydrophobicContact CB-CG 4.24Å; L143-R285 HydrophobicContact CD1-CB 4.42Å; L143-R285 HydrophobicContact CD1-CG 4.37Å; L143-R285 HydrophobicContact CD2-CG 4.1Å; L143-R285 HydrophobicContact CG-CG 4.47Å; L143-T289 HydrophobicContact CD2-CG2 4.34Å; L143-F292 HydrophobicContact CD1-CD1 4.47Å; L143-F292 HydrophobicContact CD2-CD1 3.69Å; L143-F292 HydrophobicContact CD2-CD2 3.88Å; L143-F292 HydrophobicContact CD2-CE1 3.71Å; L143-F292 HydrophobicContact CD2-CE2 3.89Å; L143-F292 HydrophobicContact CD2-CG 3.76Å; L143-F292 HydrophobicContact CD2-CZ 3.8Å; L143-F292 HydrophobicContact CG-CD1 3.98Å; L143-F292 HydrophobicContact CG-CE1 3.75Å; L143-F292 HydrophobicContact CG-CZ 4.13Å
144	H	91.3	Very high	87.2	Confident	65 Å²	65	46 Å²	46	30%	0.301	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	140.9	175.1	66.7	-94.1	0	0	0	112	Q254 L255 F256 R285	H144-Q254 HydrophobicContact CB-CB 4.39Å; H144-Q254 PolarHBondContact CD2-OE1 3.21Å; H144-Q254 VanDerWaalsContact CD2-OE1 3.3Å; H144-L255 CarbonylContact C-O 3.46Å; H144-L255 VanDerWaalsContact CA-O 3.27Å; H144-L255 WeakPolarHBondContact CA-O 3.39Å; H144-F256 HydrophobicContact CB-CD1 4.31Å; H144-F256 HydrophobicContact CB-CE1 4.4Å; H144-R285 PolarHBondContact CD2-NH2 3.34Å; H144-R285 PolarHBondContact CE1-NH2 3.4Å; H144-R285 PolarHBondContact ND1-NH2 2.94Å; H144-R285 PolarHBondContact NE2-NH2 3.49Å; H144-R285 PolarHBondContact O-NE 3.25Å; H144-R285 PolarHBondContact O-NH2 2.89Å
145	F	93.6	Very high	87.4	Confident	25 Å²	25	49.4 Å²	49.4	11%	0.11	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	170.8	175.8	-65	-90.3	0	0	0	110.5	L143 Q254 L255 V257 L280 L282 R285	L143-F145 HydrophobicContact CB-CE2 3.91Å; F145-Q254 WeakPolarHBondContact O-CB 3.39Å; F145-L255 HydrophobicContact CB-CB 4.23Å; F145-L255 HydrophobicContact CB-CD2 4.16Å; F145-L255 PolarHBondContact N-O 2.9Å; F145-L255 PolarHBondContact O-N 3.06Å; F145-L255 VanDerWaalsContact O-N 3.08Å; F145-V257 HydrophobicContact CD2-CB 4.45Å; F145-V257 HydrophobicContact CD2-CG2 3.71Å; F145-V257 HydrophobicContact CE2-CB 4.17Å; F145-V257 HydrophobicContact CE2-CG2 3.79Å; F145-L280 HydrophobicContact CD1-CB 4.23Å; F145-L280 HydrophobicContact CD1-CD1 4.4Å; F145-L280 HydrophobicContact CD1-CD2 3.98Å; F145-L280 HydrophobicContact CD1-CG 4.44Å; F145-L280 HydrophobicContact CD2-CD1 4.36Å; F145-L280 HydrophobicContact CE1-CB 4Å; F145-L280 HydrophobicContact CG-CD1 4.19Å; F145-L280 HydrophobicContact CG-CD2 4.37Å; F145-L280 HydrophobicContact CZ-CB 4.35Å; F145-L282 HydrophobicContact CE2-CD2 4.02Å; F145-L282 HydrophobicContact CZ-CD2 3.81Å; F145-R285 HydrophobicContact CE1-CB 4.1Å; F145-R285 HydrophobicContact CE1-CG 4.09Å; F145-R285 HydrophobicContact CE2-CG 4.45Å; F145-R285 HydrophobicContact CZ-CB 3.89Å; F145-R285 HydrophobicContact CZ-CG 3.84Å
146	S	93	Very high	87.8	Confident	97 Å²	97	48.6 Å²	48.6	68%	0.678	27%	0.271	S	S	*	.	S	Bend	trans	-56.6	148	171.4	50.9	0	0	0	0	111.1	F148	S146-F148 PolarHBondContact O-N 3.25Å
147	T	92.9	Very high	88.2	Confident	34 Å²	34	50 Å²	50	21%	0.209	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-49.6	130.8	176.5	-53.5	0	0	0	0	111.4	Q149 L251 S253	T147-Q149 PolarHBondContact O-N 2.78Å; T147-Q149 PolarHBondContact O-NE2 2.81Å; T147-Q149 VanDerWaalsContact O-NE2 3.15Å; T147-L251 HydrophobicContact CG2-CB 3.93Å; T147-L251 WeakPolarHBondContact CG2-O 3.36Å; T147-S253 VanDerWaalsContact CB-O 3.31Å; T147-S253 WeakPolarHBondContact CB-O 3.45Å; T147-S253 VanDerWaalsContact CG2-O 3.26Å; T147-S253 WeakPolarHBondContact CG2-O 3.31Å; T147-S253 PolarHBondContact OG1-O 2.81Å
148	F	92.1	Very high	89	Confident	19 Å²	19	48.4 Å²	48.4	8%	0.083	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-68.2	126.5	-178.4	174.8	-123.6	0	0	0	111.2	S146 G150 A154 N172 I179 L251 M275 N276	S146-F148 PolarHBondContact O-N 3.25Å; F148-G150 PolarHBondContact O-N 2.98Å; F148-A154 HydrophobicContact CE1-CB 3.64Å; F148-A154 HydrophobicContact CZ-CB 3.78Å; F148-N172 WeakPolarHBondContact CB-OD1 3.35Å; F148-N172 PolarHBondContact N-OD1 2.67Å; F148-I179 HydrophobicContact CE1-CD1 4.44Å; F148-L251 HydrophobicContact CB-CD1 4.15Å; F148-L251 HydrophobicContact CD1-CD1 3.93Å; F148-M275 HydrophobicContact CB-CE 4.1Å; F148-M275 HydrophobicContact CD1-CE 3.91Å; F148-M275 HydrophobicContact CD2-CB 4.09Å; F148-M275 HydrophobicContact CD2-CE 3.52Å; F148-M275 HydrophobicContact CD2-SD 4.25Å; F148-M275 HydrophobicContact CE1-CE 4.17Å; F148-M275 HydrophobicContact CE2-CB 3.81Å; F148-M275 HydrophobicContact CE2-CE 3.84Å; F148-M275 HydrophobicContact CG-CE 3.56Å; F148-M275 HydrophobicContact CZ-CE 4.14Å; F148-N276 HydrophobicContact CE2-CB 4.22Å; F148-N276 WeakPolarHBondContact CE2-ND2 3.45Å; F148-N276 VanDerWaalsContact CZ-ND2 3.28Å; F148-N276 WeakPolarHBondContact CZ-ND2 3.41Å
149	Q	87.4	Confident	89.7	Confident	138 Å²	138	47.6 Å²	47.6	65%	0.645	26%	0.263	S	S	*	.			trans	-93.8	84.9	178.3	-57.1	-58.9	-53.9	0	0	109.3	T147 N276	T147-Q149 PolarHBondContact O-N 2.78Å; T147-Q149 PolarHBondContact O-NE2 2.81Å; T147-Q149 VanDerWaalsContact O-NE2 3.15Å; Q149-N276 PolarHBondContact O-ND2 2.92Å
150	G	80.1	Confident	90.5	Very high	4 Å²	4	46 Å²	46	4%	0.041	25%	0.253	C	S	.	.			trans	-135.7	37	-171.6	0	0	0	0	0	114.8	F148 T152 S153	F148-G150 PolarHBondContact O-N 2.98Å; G150-T152 PolarHBondContact O-N 3.41Å; G150-S153 CarbonylContact C-O 3.46Å; G150-S153 WeakPolarHBondContact CA-O 3.38Å
151	E	83.6	Confident	91	Very high	78 Å²	78	43 Å²	43	36%	0.364	23%	0.228	S	C	.	.	S	Bend	trans	-49	-57.2	-172.7	-72.6	-179.8	-170.5	0	0	113.5	R222 R248 L249	E151-R222 PolarHBondContact O-NH1 2.79Å; E151-R248 HydrophobicContact CB-CG 3.81Å; E151-R248 HydrophobicContact CG-CG 4.25Å; E151-R248 CarbonylContact O-C 3.5Å; E151-R248 WeakPolarHBondContact O-CA 3.35Å; E151-R248 IonicContact OE1-NH2 2.74Å; E151-R248 IonicContact OE2-CZ 3.63Å; E151-R248 IonicContact OE2-NE 2.7Å; E151-R248 PolarHBondContact OE2-NE 3.08Å; E151-R248 IonicContact OE2-NH2 3.71Å; E151-R248 PolarHBondContact OE2-NH2 2.91Å; E151-L249 PolarHBondContact O-N 2.89Å
152	T	84.3	Confident	91.5	Very high	74 Å²	74	42.3 Å²	42.3	45%	0.454	22%	0.223	S	C	.	.	S	Bend	trans	-104.4	-17.7	-174.6	53.8	0	0	0	0	113.7	G150	G150-T152 PolarHBondContact O-N 3.41Å
153	S	89.6	Confident	91.4	Very high	56 Å²	56	41 Å²	41	39%	0.392	22%	0.222	S	C	.	.			trans	-151	144.1	177.4	59.7	0	0	0	0	112.5	G150 R222 N276	G150-S153 CarbonylContact C-O 3.46Å; G150-S153 WeakPolarHBondContact CA-O 3.38Å; S153-R222 CarbonylContact C-O 3.56Å; S153-R222 WeakPolarHBondContact CA-O 3.21Å; S153-N276 PolarHBondContact O-ND2 3.37Å
154	A	93.3	Very high	91.2	Very high	2 Å²	2	41.9 Å²	41.9	2%	0.017	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	123.7	170.7	0	0	0	0	0	109.7	F148 I179 E221 R222 N276	F148-A154 HydrophobicContact CE1-CB 3.64Å; F148-A154 HydrophobicContact CZ-CB 3.78Å; A154-I179 HydrophobicContact CB-CD1 4.03Å; A154-E221 CarbonylContact O-C 3.4Å; A154-E221 VanDerWaalsContact O-CA 3.23Å; A154-E221 WeakPolarHBondContact O-CA 3.41Å; A154-R222 HydrophobicContact CB-CB 4.18Å; A154-R222 PolarHBondContact N-O 2.82Å; A154-R222 PolarHBondContact O-N 3.2Å; A154-N276 WeakPolarHBondContact CA-OD1 3.39Å
155	D	95.1	Very high	91.3	Very high	71 Å²	71	41.2 Å²	41.2	38%	0.38	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	110.6	169	171.5	23	0	0	0	108.2	M275 N276	D155-M275 CarbonylContact O-C 3.55Å; D155-M275 VanDerWaalsContact O-CA 3.29Å; D155-M275 WeakPolarHBondContact O-CA 3.38Å; D155-N276 PolarHBondContact N-OD1 2.94Å; D155-N276 PolarHBondContact O-N 2.96Å
156	I	97.2	Very high	91.3	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	126.3	-174.4	-55.7	171	0	0	0	108.5	F158 L170 I179 L181 T219 A220 L273 R274 M275	I156-F158 HydrophobicContact CG2-CD1 4.27Å; I156-F158 HydrophobicContact CG2-CE1 4.49Å; I156-L170 HydrophobicContact CD1-CD1 4.47Å; I156-L170 HydrophobicContact CG2-CD2 3.9Å; I156-I179 HydrophobicContact CD1-CD1 3.74Å; I156-L181 HydrophobicContact CB-CD1 4.31Å; I156-L181 HydrophobicContact CD1-CD1 4.13Å; I156-L181 HydrophobicContact CG2-CD1 3.84Å; I156-T219 CarbonylContact O-C 3.42Å; I156-T219 WeakPolarHBondContact O-CA 3.08Å; I156-A220 HydrophobicContact CB-CB 4.49Å; I156-A220 PolarHBondContact N-O 2.83Å; I156-A220 PolarHBondContact O-N 3.21Å; I156-L273 HydrophobicContact CG2-CD1 4.32Å; I156-R274 WeakPolarHBondContact CA-O 3.17Å; I156-M275 HydrophobicContact CD1-CE 3.75Å; I156-M275 HydrophobicContact CG1-CE 3.9Å; I156-M275 HydrophobicContact CG1-CG 4.32Å; I156-M275 HydrophobicContact CG2-CG 4.31Å
157	S	96.4	Very high	91.3	Very high	31 Å²	31	39.7 Å²	39.7	22%	0.217	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	141.6	173.3	56.3	0	0	0	0	112.4	V218 L273 R274	S157-V218 VanDerWaalsContact CA-O 3.28Å; S157-V218 WeakPolarHBondContact CA-O 3.26Å; S157-L273 CarbonylContact O-C 3.5Å; S157-L273 WeakPolarHBondContact O-CA 3.41Å; S157-R274 PolarHBondContact N-O 3Å; S157-R274 PolarHBondContact O-N 3.35Å
158	F	96.8	Very high	91.4	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.009	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	172.7	176.8	60.7	-80.7	0	0	0	110.4	I156 F160 F169 L170 L181 V218 I270 L273	I156-F158 HydrophobicContact CG2-CD1 4.27Å; I156-F158 HydrophobicContact CG2-CE1 4.49Å; F158-F160 HydrophobicContact CD2-CB 4.42Å; F158-F160 HydrophobicContact CE2-CB 4.22Å; F158-F160 HydrophobicContact CE2-CD1 4.21Å; F158-F169 HydrophobicContact CE2-CB 4.02Å; F158-F169 AromaticContact CE2-CD1 3.86Å; F158-F169 HydrophobicContact CE2-CD1 3.86Å; F158-F169 HydrophobicContact CE2-CD2 4.08Å; F158-F169 HydrophobicContact CE2-CE1 4.28Å; F158-F169 HydrophobicContact CE2-CE2 4.49Å; F158-F169 AromaticContact CE2-CG 3.74Å; F158-F169 HydrophobicContact CE2-CG 3.74Å; F158-F169 HydrophobicContact CZ-CB 3.8Å; F158-F169 HydrophobicContact CZ-CD1 4.31Å; F158-F169 AromaticContact CZ-CD2 3.74Å; F158-F169 HydrophobicContact CZ-CD2 3.74Å; F158-F169 HydrophobicContact CZ-CE2 4.35Å; F158-F169 AromaticContact CZ-CG 3.71Å; F158-F169 HydrophobicContact CZ-CG 3.71Å; F158-L170 HydrophobicContact CE1-CD2 4.41Å; F158-L181 HydrophobicContact CE1-CD1 4.05Å; F158-V218 HydrophobicContact CD1-CB 4.28Å; F158-V218 HydrophobicContact CE1-CB 3.73Å; F158-V218 HydrophobicContact CE1-CG1 3.79Å; F158-V218 HydrophobicContact CE2-CB 4.09Å; F158-V218 HydrophobicContact CE2-CG2 4.1Å; F158-V218 HydrophobicContact CZ-CB 3.64Å; F158-V218 HydrophobicContact CZ-CG1 3.86Å; F158-V218 HydrophobicContact CZ-CG2 3.93Å; F158-V218 PolarHBondContact N-O 2.92Å; F158-V218 PolarHBondContact O-N 3.24Å; F158-I270 HydrophobicContact CB-CG2 4.16Å; F158-I270 HydrophobicContact CD2-CG2 4Å; F158-I270 HydrophobicContact CG-CG2 4.37Å; F158-L273 HydrophobicContact CB-CB 4.19Å; F158-L273 HydrophobicContact CB-CD1 3.78Å; F158-L273 HydrophobicContact CD1-CD1 3.97Å; F158-L273 HydrophobicContact CG-CD1 4.13Å
159	Y	95.3	Very high	91.6	Very high	52 Å²	52	37.3 Å²	37.3	20%	0.204	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	147.4	163.7	-57.7	-106.9	0	0	0	110.5	Y130 H216 R217 I270 R271	Y130-Y159 HydrophobicContact CD2-CE2 4.33Å; Y130-Y159 HydrophobicContact CE2-CE2 4.02Å; Y159-H216 CarbonylContact C-O 3.58Å; Y159-H216 WeakPolarHBondContact CA-O 3.21Å; Y159-H216 WeakPolarHBondContact CB-O 3.26Å; Y159-R217 HydrophobicContact CD1-CB 3.72Å; Y159-R217 HydrophobicContact CD1-CG 4.18Å; Y159-R217 HydrophobicContact CE1-CB 3.6Å; Y159-R217 HydrophobicContact CE1-CG 3.87Å; Y159-R217 HydrophobicContact CE2-CG 4.42Å; Y159-R217 HydrophobicContact CG-CB 4.46Å; Y159-I270 CarbonylContact O-C 3.56Å; Y159-I270 WeakPolarHBondContact O-CA 3.45Å; Y159-R271 HydrophobicContact CD2-CG 4.16Å; Y159-R271 HydrophobicContact CG-CG 4.22Å; Y159-R271 PolarHBondContact N-O 3.44Å; Y159-R271 PolarHBondContact O-N 2.96Å
160	F	95.3	Very high	92	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	157.2	172.1	75.5	-87.5	0	0	0	111.6	F158 T162 F169 V189 L210 W215 H216 V218 F266 C269	F158-F160 HydrophobicContact CD2-CB 4.42Å; F158-F160 HydrophobicContact CE2-CB 4.22Å; F158-F160 HydrophobicContact CE2-CD1 4.21Å; F160-T162 HydrophobicContact CD2-CG2 4.02Å; F160-T162 HydrophobicContact CE2-CG2 4.03Å; F160-F169 HydrophobicContact CB-CD1 4.24Å; F160-F169 HydrophobicContact CB-CE1 3.61Å; F160-F169 HydrophobicContact CB-CZ 4.29Å; F160-F169 AromaticContact CD1-CE1 3.9Å; F160-F169 HydrophobicContact CD1-CE1 3.9Å; F160-F169 HydrophobicContact CD1-CE2 4.48Å; F160-F169 AromaticContact CD1-CZ 3.68Å; F160-F169 HydrophobicContact CD1-CZ 3.68Å; F160-F169 AromaticContact CD2-CE1 3.76Å; F160-F169 HydrophobicContact CD2-CE1 3.76Å; F160-F169 AromaticContact CD2-CZ 3.86Å; F160-F169 HydrophobicContact CD2-CZ 3.86Å; F160-F169 HydrophobicContact CE1-CE1 4.5Å; F160-F169 AromaticContact CE1-CZ 3.86Å; F160-F169 HydrophobicContact CE1-CZ 3.86Å; F160-F169 HydrophobicContact CE2-CE1 4.39Å; F160-F169 HydrophobicContact CE2-CZ 4.05Å; F160-F169 HydrophobicContact CG-CD1 4.49Å; F160-F169 AromaticContact CG-CE1 3.48Å; F160-F169 HydrophobicContact CG-CE1 3.48Å; F160-F169 VanDerWaalsContact CG-CE1 3.48Å; F160-F169 AromaticContact CG-CZ 3.67Å; F160-F169 HydrophobicContact CG-CZ 3.67Å; F160-F169 HydrophobicContact CZ-CZ 4.04Å; F160-V189 HydrophobicContact CZ-CG2 4.5Å; F160-L210 HydrophobicContact CE2-CB 4.38Å; F160-L210 HydrophobicContact CZ-CB 4.05Å; F160-L210 HydrophobicContact CZ-CD1 4.45Å; F160-W215 WeakPolarHBondContact O-CA 3.45Å; F160-H216 HydrophobicContact CD1-CB 4.01Å; F160-H216 HydrophobicContact CE1-CB 3.48Å; F160-H216 VanDerWaalsContact CE1-CB 3.48Å; F160-H216 HydrophobicContact CE2-CB 4.22Å; F160-H216 HydrophobicContact CZ-CB 3.61Å; F160-H216 PolarHBondContact N-O 2.93Å; F160-H216 PolarHBondContact O-N 2.86Å; F160-V218 HydrophobicContact CD1-CG2 3.68Å; F160-V218 HydrophobicContact CE1-CG2 3.55Å; F160-F266 HydrophobicContact CB-CE2 4.39Å; F160-F266 HydrophobicContact CB-CZ 3.99Å; F160-F266 HydrophobicContact CD2-CE2 4.26Å; F160-F266 HydrophobicContact CD2-CZ 4.45Å; F160-C269 CarbonylContact C-O 3.58Å; F160-C269 WeakPolarHBondContact CA-O 3.05Å
161	K	92.1	Very high	92.7	Very high	33 Å²	33	31.5 Å²	31.5	14%	0.143	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	126.4	173	-175.1	178.6	101.3	103.6	0	108.2	D213 Q214 W215 G268 C269 C296	K161-D213 VanDerWaalsContact CD-O 3.31Å; K161-D213 WeakPolarHBondContact CD-O 3.32Å; K161-D213 VanDerWaalsContact CE-OD1 3.3Å; K161-D213 WeakPolarHBondContact CE-OD1 3.13Å; K161-D213 WeakPolarHBondContact CG-O 2.89Å; K161-D213 IonicContact NZ-OD1 2.62Å; K161-D213 PolarHBondContact NZ-OD1 2.76Å; K161-D213 IonicContact NZ-OD2 3.12Å; K161-D213 PolarHBondContact NZ-OD2 2.88Å; K161-Q214 WeakPolarHBondContact CA-O 3.21Å; K161-W215 HydrophobicContact CB-CD2 3.98Å; K161-W215 HydrophobicContact CB-CE3 3.77Å; K161-W215 HydrophobicContact CB-CH2 4.3Å; K161-W215 HydrophobicContact CB-CZ2 4.46Å; K161-W215 HydrophobicContact CB-CZ3 3.93Å; K161-W215 HydrophobicContact CD-CD2 4.44Å; K161-G268 CarbonylContact O-C 3.48Å; K161-G268 VanDerWaalsContact O-CA 3.29Å; K161-G268 WeakPolarHBondContact O-CA 3.02Å; K161-C269 HydrophobicContact CB-CB 4.3Å; K161-C269 PolarHBondContact N-O 2.03Å; K161-C269 PolarHBondContact O-N 2.99Å; K161-C296 VanDerWaalsContact CE-SG 3.59Å
162	T	90.4	Very high	93.1	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.012	15%	0.151	C	C	.	.			trans	-153.6	161	-176.9	-173.1	0	0	0	0	112.3	F160 T164 L183 N211 D213 F266 L267	F160-T162 HydrophobicContact CD2-CG2 4.02Å; F160-T162 HydrophobicContact CE2-CG2 4.03Å; T162-T164 WeakPolarHBondContact CG2-O 3.31Å; T162-T164 PolarHBondContact OG1-N 2.83Å; T162-L183 HydrophobicContact CG2-CD2 3.96Å; T162-N211 HydrophobicContact CG2-CB 4.15Å; T162-N211 CarbonylContact O-C 3.55Å; T162-N211 WeakPolarHBondContact O-CA 3.27Å; T162-D213 PolarHBondContact O-N 2.82Å; T162-D213 VanDerWaalsContact O-N 3.14Å; T162-F266 HydrophobicContact CG2-CE2 4.04Å; T162-L267 VanDerWaalsContact CB-O 3.31Å; T162-L267 WeakPolarHBondContact CB-O 3.43Å; T162-L267 PolarHBondContact OG1-O 2.89Å
163	L	86.6	Confident	93.5	Very high	77 Å²	77	27.8 Å²	27.8	40%	0.403	15%	0.146	S	C	.	.	S	Bend	trans	-107.3	-11.1	166.4	-71.9	170.2	0	0	0	111.9	N211 D213	L163-N211 PolarHBondContact O-ND2 2.77Å; L163-D213 HydrophobicContact CD2-CB 3.77Å; L163-D213 HydrophobicContact CG-CB 4.19Å
164	T	89.4	Confident	93.5	Very high	19 Å²	19	26.2 Å²	26.2	12%	0.117	14%	0.138	C	C	.	.	S	Bend	trans	-86.9	136.8	-177.1	-56.5	0	0	0	0	109.9	T162 W166 L183 N211	T162-T164 WeakPolarHBondContact CG2-O 3.31Å; T162-T164 PolarHBondContact OG1-N 2.83Å; T164-W166 HydrophobicContact CG2-CD2 4.07Å; T164-W166 HydrophobicContact CG2-CE3 4.35Å; T164-W166 HydrophobicContact CG2-CG 4.46Å; T164-W166 HydrophobicContact CG2-CH2 4.47Å; T164-W166 HydrophobicContact CG2-CZ2 4.29Å; T164-W166 HydrophobicContact CG2-CZ3 4.49Å; T164-W166 VanDerWaalsContact CG2-O 3.31Å; T164-W166 WeakPolarHBondContact CG2-O 3.1Å; T164-W166 PolarHBondContact O-N 2.79Å; T164-L183 WeakPolarHBondContact O-CD2 3.33Å; T164-N211 WeakPolarHBondContact O-CB 3.36Å
165	P	93.5	Very high	93.2	Very high	51 Å²	51	34.6 Å²	34.6	33%	0.331	18%	0.175	S	C	.	.	S	Bend	trans	-77.9	-1.4	-177.7	31.8	-35.8	0	0	0	113.5	S185 A186	P165-S185 CarbonylContact O-C 3.54Å; P165-S185 WeakPolarHBondContact O-CA 3.36Å; P165-S185 PolarHBondContact O-N 3.24Å; P165-A186 HydrophobicContact CB-CB 3.89Å; P165-A186 PolarHBondContact O-N 2.81Å
166	W	92.8	Very high	92.8	Very high	86 Å²	86	37.6 Å²	37.6	33%	0.326	19%	0.186	S	C	.	.			trans	-149.8	163.4	-178.9	51.5	-104	0	0	0	111.1	T164 L183 Q264	T164-W166 HydrophobicContact CG2-CD2 4.07Å; T164-W166 HydrophobicContact CG2-CE3 4.35Å; T164-W166 HydrophobicContact CG2-CG 4.46Å; T164-W166 HydrophobicContact CG2-CH2 4.47Å; T164-W166 HydrophobicContact CG2-CZ2 4.29Å; T164-W166 HydrophobicContact CG2-CZ3 4.49Å; T164-W166 VanDerWaalsContact CG2-O 3.31Å; T164-W166 WeakPolarHBondContact CG2-O 3.1Å; T164-W166 PolarHBondContact O-N 2.79Å; W166-L183 CarbonylContact C-O 3.52Å; W166-L183 WeakPolarHBondContact CA-O 3.07Å; W166-Q264 HydrophobicContact CE3-CB 3.83Å; W166-Q264 HydrophobicContact CE3-CG 4.26Å; W166-Q264 HydrophobicContact CH2-CB 3.85Å; W166-Q264 HydrophobicContact CH2-CG 3.34Å; W166-Q264 VanDerWaalsContact CZ2-CD 3.41Å; W166-Q264 HydrophobicContact CZ2-CG 4.23Å; W166-Q264 HydrophobicContact CZ3-CB 3.29Å; W166-Q264 VanDerWaalsContact CZ3-CD 3.45Å; W166-Q264 HydrophobicContact CZ3-CG 3.37Å
167	G	93.5	Very high	92.5	Very high	4 Å²	4	38.5 Å²	38.5	4%	0.041	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	152.1	147.5	170.7	0	0	0	0	0	113.9	E182 L183	G167-E182 WeakPolarHBondContact O-CA 3.36Å; G167-L183 PolarHBondContact N-O 3.12Å; G167-L183 PolarHBondContact O-N 2.85Å
168	V	95.4	Very high	92.4	Very high	3 Å²	3	39.3 Å²	39.3	2%	0.018	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	118.2	178.8	-174.6	0	0	0	0	111.1	E171 K180 E182 G258 G259 A260 Q263 F266	V168-E171 HydrophobicContact CG1-CB 4.33Å; V168-K180 HydrophobicContact CG1-CD 4.21Å; V168-K180 HydrophobicContact CG1-CG 3.97Å; V168-E182 HydrophobicContact CB-CB 4.43Å; V168-E182 HydrophobicContact CG2-CB 4.2Å; V168-G258 CarbonylContact O-C 3.48Å; V168-G259 PolarHBondContact O-N 3.01Å; V168-A260 HydrophobicContact CB-CB 4.06Å; V168-A260 HydrophobicContact CG1-CB 3.89Å; V168-A260 HydrophobicContact CG2-CB 3.98Å; V168-Q263 HydrophobicContact CG2-CB 4.44Å; V168-F266 WeakPolarHBondContact O-CB 3.48Å; V168-F266 PolarHBondContact O-N 3.18Å
169	F	95.7	Very high	92.3	Very high	1 Å²	1	39.2 Å²	39.2	0%	0.004	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	-44.9	179.6	-61.2	-62.5	0	0	0	112.1	F158 F160 L181 L183 V189 V257 G258 F266 I270	F158-F169 HydrophobicContact CE2-CB 4.02Å; F158-F169 AromaticContact CE2-CD1 3.86Å; F158-F169 HydrophobicContact CE2-CD1 3.86Å; F158-F169 HydrophobicContact CE2-CD2 4.08Å; F158-F169 HydrophobicContact CE2-CE1 4.28Å; F158-F169 HydrophobicContact CE2-CE2 4.49Å; F158-F169 AromaticContact CE2-CG 3.74Å; F158-F169 HydrophobicContact CE2-CG 3.74Å; F158-F169 HydrophobicContact CZ-CB 3.8Å; F158-F169 HydrophobicContact CZ-CD1 4.31Å; F158-F169 AromaticContact CZ-CD2 3.74Å; F158-F169 HydrophobicContact CZ-CD2 3.74Å; F158-F169 HydrophobicContact CZ-CE2 4.35Å; F158-F169 AromaticContact CZ-CG 3.71Å; F158-F169 HydrophobicContact CZ-CG 3.71Å; F160-F169 HydrophobicContact CB-CD1 4.24Å; F160-F169 HydrophobicContact CB-CE1 3.61Å; F160-F169 HydrophobicContact CB-CZ 4.29Å; F160-F169 AromaticContact CD1-CE1 3.9Å; F160-F169 HydrophobicContact CD1-CE1 3.9Å; F160-F169 HydrophobicContact CD1-CE2 4.48Å; F160-F169 AromaticContact CD1-CZ 3.68Å; F160-F169 HydrophobicContact CD1-CZ 3.68Å; F160-F169 AromaticContact CD2-CE1 3.76Å; F160-F169 HydrophobicContact CD2-CE1 3.76Å; F160-F169 AromaticContact CD2-CZ 3.86Å; F160-F169 HydrophobicContact CD2-CZ 3.86Å; F160-F169 HydrophobicContact CE1-CE1 4.5Å; F160-F169 AromaticContact CE1-CZ 3.86Å; F160-F169 HydrophobicContact CE1-CZ 3.86Å; F160-F169 HydrophobicContact CE2-CE1 4.39Å; F160-F169 HydrophobicContact CE2-CZ 4.05Å; F160-F169 HydrophobicContact CG-CD1 4.49Å; F160-F169 AromaticContact CG-CE1 3.48Å; F160-F169 HydrophobicContact CG-CE1 3.48Å; F160-F169 VanDerWaalsContact CG-CE1 3.48Å; F160-F169 AromaticContact CG-CZ 3.67Å; F160-F169 HydrophobicContact CG-CZ 3.67Å; F160-F169 HydrophobicContact CZ-CZ 4.04Å; F169-L181 HydrophobicContact CB-CB 4.43Å; F169-L181 WeakPolarHBondContact CB-O 3.49Å; F169-L181 HydrophobicContact CD2-CB 4.41Å; F169-L181 PolarHBondContact N-O 2.86Å; F169-L183 HydrophobicContact CE2-CB 4Å; F169-L183 HydrophobicContact CZ-CB 3.78Å; F169-V189 HydrophobicContact CE2-CG1 4.25Å; F169-V257 CarbonylContact O-C 2.77Å; F169-V257 WeakPolarHBondContact O-CA 3.12Å; F169-G258 PolarHBondContact O-N 2.73Å; F169-F266 HydrophobicContact CD1-CD1 4.48Å; F169-F266 AromaticContact CD1-CD2 3.6Å; F169-F266 HydrophobicContact CD1-CD2 3.6Å; F169-F266 AromaticContact CD1-CE2 3.85Å; F169-F266 HydrophobicContact CD1-CE2 3.85Å; F169-F266 AromaticContact CD1-CG 3.95Å; F169-F266 HydrophobicContact CD1-CG 3.95Å; F169-F266 HydrophobicContact CD1-CZ 4.38Å; F169-F266 AromaticContact CE1-CD2 3.47Å; F169-F266 HydrophobicContact CE1-CD2 3.47Å; F169-F266 VanDerWaalsContact CE1-CD2 3.47Å; F169-F266 AromaticContact CE1-CE2 3.35Å; F169-F266 HydrophobicContact CE1-CE2 3.35Å; F169-F266 HydrophobicContact CE1-CG 4.27Å; F169-F266 HydrophobicContact CE1-CZ 4.05Å; F169-F266 HydrophobicContact CZ-CE2 4.42Å; F169-I270 HydrophobicContact CD1-CD1 4.44Å
170	L	95.1	Very high	92.3	Very high	2 Å²	2	37.9 Å²	37.9	1%	0.01	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	151	176	63	91.5	0	0	0	111.2	I156 F158 K180 L181 L255 F256 V257 L273	I156-L170 HydrophobicContact CD1-CD1 4.47Å; I156-L170 HydrophobicContact CG2-CD2 3.9Å; F158-L170 HydrophobicContact CE1-CD2 4.41Å; L170-K180 WeakPolarHBondContact O-CA 3.27Å; L170-L181 HydrophobicContact CD1-CB 4.44Å; L170-L181 HydrophobicContact CD1-CD1 4.13Å; L170-L181 HydrophobicContact CD2-CD1 3.95Å; L170-L181 HydrophobicContact CG-CB 4.12Å; L170-L181 HydrophobicContact CG-CD1 4.15Å; L170-L181 PolarHBondContact N-O 3.04Å; L170-L181 PolarHBondContact O-N 2.99Å; L170-L255 HydrophobicContact CB-CD1 4.37Å; L170-L255 HydrophobicContact CD1-CD1 4.31Å; L170-F256 CarbonylContact C-O 3.57Å; L170-F256 WeakPolarHBondContact CA-O 3.46Å; L170-F256 WeakPolarHBondContact CB-O 3.31Å; L170-V257 HydrophobicContact CB-CG2 4.36Å; L170-L273 HydrophobicContact CD2-CD1 4.07Å
171	E	94.6	Very high	92.4	Very high	18 Å²	18	37.9 Å²	37.9	8%	0.084	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	136.3	177.7	-177.4	178.9	-106.9	0	0	110.1	V168 M173 I179 K180 F256 A260 G261	V168-E171 HydrophobicContact CG1-CB 4.33Å; E171-M173 HydrophobicContact CG-CG 4.08Å; E171-I179 WeakPolarHBondContact CA-O 3.39Å; E171-K180 HydrophobicContact CB-CG 4.45Å; E171-F256 PolarHBondContact N-O 2.06Å; E171-F256 PolarHBondContact O-N 3.23Å; E171-A260 HydrophobicContact CB-CB 4.09Å; E171-A260 HydrophobicContact CG-CB 4.36Å; E171-A260 WeakPolarHBondContact OE1-CB 3.37Å; E171-A260 WeakPolarHBondContact OE2-CA 3.48Å; E171-A260 WeakPolarHBondContact OE2-CB 3.34Å; E171-G261 PolarHBondContact OE2-N 2.98Å
172	N	93.4	Very high	92.6	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	124.3	166	-160.1	169.1	0	0	0	108.5	F148 F178 I179 L251 S253 Q254 L255	F148-N172 WeakPolarHBondContact CB-OD1 3.35Å; F148-N172 PolarHBondContact N-OD1 2.67Å; N172-F178 WeakPolarHBondContact O-CA 3.32Å; N172-I179 HydrophobicContact CB-CG2 3.86Å; N172-I179 PolarHBondContact N-O 3.2Å; N172-I179 PolarHBondContact O-N 2.78Å; N172-L251 HydrophobicContact CB-CD1 4.06Å; N172-L251 WeakPolarHBondContact O-CD2 3.29Å; N172-S253 PolarHBondContact ND2-O 2.81Å; N172-S253 PolarHBondContact ND2-OG 3.16Å; N172-Q254 PolarHBondContact ND2-O 2.96Å; N172-L255 HydrophobicContact CB-CD1 3.92Å
173	M	92	Very high	92.9	Very high	74 Å²	74	37.5 Å²	37.5	37%	0.365	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	144.5	-178.2	-58.1	-167.8	-72.5	0	0	112.7	E171 Y252 S253	E171-M173 HydrophobicContact CG-CG 4.08Å; M173-Y252 PolarHBondContact O-N 3.02Å; M173-S253 WeakPolarHBondContact CA-OG 3.44Å; M173-S253 PolarHBondContact N-OG 3.43Å; M173-S253 WeakPolarHBondContact O-CB 3.07Å; M173-S253 PolarHBondContact O-N 3.24Å; M173-S253 PolarHBondContact O-OG 3.38Å
174	G	90.2	Very high	93.3	Very high	22 Å²	22	38.2 Å²	38.2	23%	0.227	18%	0.184	C	C	.	.	B	Isolated β-bridge	trans	-105	-151.3	165.8	0	0	0	0	0	111.2	D177 E250	G174-D177 VanDerWaalsContact CA-O 3.25Å; G174-D177 WeakPolarHBondContact CA-O 3.5Å; G174-D177 PolarHBondContact N-O 3.12Å; G174-E250 VanDerWaalsContact CA-O 3.31Å; G174-E250 WeakPolarHBondContact CA-O 3.49Å
175	K	85.8	Confident	93.6	Very high	179 Å²	179	39.1 Å²	39.1	78%	0.778	19%	0.191	S	C	*	.	S	Bend	trans	-79.8	-47.8	175.1	-176.5	-175.1	171.2	-168.6	0	111.5	Y252	K175-Y252 HydrophobicContact CB-CE2 4.43Å
176	E	86.3	Confident	93.7	Very high	133 Å²	133	37.9 Å²	37.9	62%	0.621	19%	0.186	S	C	*	.	S	Bend	trans	-125.2	-31.3	173.9	-66.6	177.2	-166.8	0	0	109.3
177	D	92	Very high	93.9	Very high	19 Å²	19	36 Å²	36	10%	0.102	18%	0.183	C	C	.	.			trans	-65.7	148.6	173.8	-65.3	29	0	0	0	113.6	G174 D194 G196 L249 E250	G174-D177 VanDerWaalsContact CA-O 3.25Å; G174-D177 WeakPolarHBondContact CA-O 3.5Å; G174-D177 PolarHBondContact N-O 3.12Å; D177-D194 WeakPolarHBondContact CA-O 3.48Å; D177-D194 WeakPolarHBondContact CB-O 3.46Å; D177-G196 PolarHBondContact OD1-N 2.91Å; D177-L249 HydrophobicContact CB-CD1 4.04Å; D177-L249 WeakPolarHBondContact OD2-CA 3.48Å; D177-E250 PolarHBondContact OD2-N 2.97Å
178	F	93.5	Very high	94.2	Very high	48 Å²	48	37.4 Å²	37.4	21%	0.211	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	165.6	167.4	69.3	-90.5	0	0	0	111.3	N172 K180 F193 D194 P199	N172-F178 WeakPolarHBondContact O-CA 3.32Å; F178-K180 HydrophobicContact CD2-CB 4.12Å; F178-K180 HydrophobicContact CE2-CB 4.31Å; F178-F193 CarbonylContact O-C 3.55Å; F178-F193 WeakPolarHBondContact O-CA 3.3Å; F178-F193 VanDerWaalsContact O-CB 3.25Å; F178-F193 WeakPolarHBondContact O-CB 3.34Å; F178-D194 HydrophobicContact CD1-CB 3.62Å; F178-D194 HydrophobicContact CE1-CB 3.52Å; F178-D194 HydrophobicContact CZ-CB 4.36Å; F178-D194 PolarHBondContact N-O 2.95Å; F178-D194 VanDerWaalsContact N-O 3.12Å; F178-D194 PolarHBondContact O-N 3.47Å; F178-P199 HydrophobicContact CE1-CB 4.08Å; F178-P199 HydrophobicContact CZ-CB 3.93Å
179	I	94.6	Very high	94.3	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	130.4	167.2	-171.8	169	0	0	0	109.3	F148 A154 I156 E171 N172 F191 F193 L249 L251	F148-I179 HydrophobicContact CE1-CD1 4.44Å; A154-I179 HydrophobicContact CB-CD1 4.03Å; I156-I179 HydrophobicContact CD1-CD1 3.74Å; E171-I179 WeakPolarHBondContact CA-O 3.39Å; N172-I179 HydrophobicContact CB-CG2 3.86Å; N172-I179 PolarHBondContact N-O 3.2Å; N172-I179 PolarHBondContact O-N 2.78Å; I179-F191 HydrophobicContact CD1-CE2 3.83Å; I179-F191 HydrophobicContact CD1-CZ 4.07Å; I179-F191 HydrophobicContact CG1-CE2 3.66Å; I179-F191 HydrophobicContact CG1-CZ 4.31Å; I179-F193 HydrophobicContact CB-CB 4.44Å; I179-F193 HydrophobicContact CG1-CB 4.39Å; I179-L249 HydrophobicContact CB-CD2 4.15Å; I179-L249 HydrophobicContact CD1-CD2 4.23Å; I179-L249 HydrophobicContact CG2-CD2 4.36Å; I179-L251 HydrophobicContact CG2-CD1 3.82Å; I179-L251 HydrophobicContact CG2-CD2 4.4Å
180	K	95.4	Very high	94.4	Very high	24 Å²	24	37.2 Å²	37.2	10%	0.104	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	136.5	-173.7	-173.7	176.5	68.8	143.7	0	112.2	V168 L170 E171 F178 E182 S192	V168-K180 HydrophobicContact CG1-CD 4.21Å; V168-K180 HydrophobicContact CG1-CG 3.97Å; L170-K180 WeakPolarHBondContact O-CA 3.27Å; E171-K180 HydrophobicContact CB-CG 4.45Å; F178-K180 HydrophobicContact CD2-CB 4.12Å; F178-K180 HydrophobicContact CE2-CB 4.31Å; K180-E182 IonicContact NZ-OE1 3.73Å; K180-E182 PolarHBondContact NZ-OE1 3.01Å; K180-E182 IonicContact NZ-OE2 2.91Å; K180-E182 PolarHBondContact NZ-OE2 3.43Å; K180-S192 PolarHBondContact N-O 2.94Å; K180-S192 PolarHBondContact O-N 3.15Å; K180-S192 PolarHBondContact O-OG 3.39Å
181	L	97.2	Very high	94.5	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	131.1	170.7	-80	153.1	0	0	0	109.7	I156 F158 F169 L170 S190 F191 V218 A220 L229	I156-L181 HydrophobicContact CB-CD1 4.31Å; I156-L181 HydrophobicContact CD1-CD1 4.13Å; I156-L181 HydrophobicContact CG2-CD1 3.84Å; F158-L181 HydrophobicContact CE1-CD1 4.05Å; F169-L181 HydrophobicContact CB-CB 4.43Å; F169-L181 WeakPolarHBondContact CB-O 3.49Å; F169-L181 HydrophobicContact CD2-CB 4.41Å; F169-L181 PolarHBondContact N-O 2.86Å; L170-L181 HydrophobicContact CD1-CB 4.44Å; L170-L181 HydrophobicContact CD1-CD1 4.13Å; L170-L181 HydrophobicContact CD2-CD1 3.95Å; L170-L181 HydrophobicContact CG-CB 4.12Å; L170-L181 HydrophobicContact CG-CD1 4.15Å; L170-L181 PolarHBondContact N-O 3.04Å; L170-L181 PolarHBondContact O-N 2.99Å; L181-S190 WeakPolarHBondContact CA-O 3.02Å; L181-F191 HydrophobicContact CD1-CD2 4.36Å; L181-F191 HydrophobicContact CD2-CB 3.65Å; L181-F191 HydrophobicContact CD2-CD2 3.71Å; L181-F191 HydrophobicContact CD2-CG 3.97Å; L181-F191 HydrophobicContact CG-CD2 3.74Å; L181-F191 HydrophobicContact CG-CE2 4.41Å; L181-F191 HydrophobicContact CG-CG 4.49Å; L181-V218 HydrophobicContact CD2-CG1 4.27Å; L181-A220 HydrophobicContact CD1-CB 4.07Å; L181-A220 HydrophobicContact CD2-CB 3.94Å; L181-L229 HydrophobicContact CD2-CD1 4.07Å
182	E	96.4	Very high	94.5	Very high	24 Å²	24	36.7 Å²	36.7	11%	0.112	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	155	-177	69.4	-169.8	165.5	0	0	113.2	G167 V168 K180 K184 V189 S190	G167-E182 WeakPolarHBondContact O-CA 3.36Å; V168-E182 HydrophobicContact CB-CB 4.43Å; V168-E182 HydrophobicContact CG2-CB 4.2Å; K180-E182 IonicContact NZ-OE1 3.73Å; K180-E182 PolarHBondContact NZ-OE1 3.01Å; K180-E182 IonicContact NZ-OE2 2.91Å; K180-E182 PolarHBondContact NZ-OE2 3.43Å; E182-K184 HydrophobicContact CG-CG 3.81Å; E182-V189 WeakPolarHBondContact O-CA 3.39Å; E182-S190 PolarHBondContact N-O 2.73Å; E182-S190 PolarHBondContact O-N 2.97Å
183	L	96.9	Very high	94.6	Very high	3 Å²	3	37.5 Å²	37.5	2%	0.016	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	111.1	162	-172.3	68.3	0	0	0	107.2	T162 T164 W166 G167 F169 S185 V189 L210	T162-L183 HydrophobicContact CG2-CD2 3.96Å; T164-L183 WeakPolarHBondContact O-CD2 3.33Å; W166-L183 CarbonylContact C-O 3.52Å; W166-L183 WeakPolarHBondContact CA-O 3.07Å; G167-L183 PolarHBondContact N-O 3.12Å; G167-L183 PolarHBondContact O-N 2.85Å; F169-L183 HydrophobicContact CE2-CB 4Å; F169-L183 HydrophobicContact CZ-CB 3.78Å; L183-S185 WeakPolarHBondContact CD1-O 3.26Å; L183-S185 WeakPolarHBondContact CG-O 3.31Å; L183-V189 HydrophobicContact CD1-CG2 3.88Å; L183-L210 HydrophobicContact CD1-CB 4.48Å; L183-L210 HydrophobicContact CD1-CD1 4.33Å
184	K	94.8	Very high	94.6	Very high	93 Å²	93	34.9 Å²	34.9	40%	0.404	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	-33.9	-179.2	-68.7	-172.2	73.4	170.6	0	112.4	E182 E188 S190 E201	E182-K184 HydrophobicContact CG-CG 3.81Å; K184-E188 HydrophobicContact CB-CB 4.34Å; K184-E188 PolarHBondContact N-O 2.75Å; K184-S190 VanDerWaalsContact CD-CB 3.44Å; K184-E201 VanDerWaalsContact CD-OE1 3.26Å; K184-E201 WeakPolarHBondContact CD-OE1 3.4Å; K184-E201 IonicContact NZ-OE1 3.33Å; K184-E201 PolarHBondContact NZ-OE1 2.99Å; K184-E201 IonicContact NZ-OE2 3.88Å; K184-E201 PolarHBondContact NZ-OE2 2.84Å
185	S	96.2	Very high	94.5	Very high	38 Å²	38	34.4 Å²	34.4	27%	0.266	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	172.8	174.6	74.8	0	0	0	0	109.5	P165 L183 T187 E188	P165-S185 CarbonylContact O-C 3.54Å; P165-S185 WeakPolarHBondContact O-CA 3.36Å; P165-S185 PolarHBondContact O-N 3.24Å; L183-S185 WeakPolarHBondContact CD1-O 3.26Å; L183-S185 WeakPolarHBondContact CG-O 3.31Å; S185-T187 PolarHBondContact O-N 2.81Å; S185-T187 PolarHBondContact OG-N 3.47Å; S185-E188 PolarHBondContact N-O 3.11Å; S185-E188 PolarHBondContact O-N 3.32Å; S185-E188 WeakPolarHBondContact OG-CB 3.48Å; S185-E188 WeakPolarHBondContact OG-CG 3.17Å; S185-E188 PolarHBondContact OG-N 3.01Å
186	A	96.1	Very high	94.4	Very high	25 Å²	25	27.3 Å²	27.3	21%	0.207	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.9	-22.8	179.1	0	0	0	0	0	113.2	P165 P209 L210 N211	P165-A186 HydrophobicContact CB-CB 3.89Å; P165-A186 PolarHBondContact O-N 2.81Å; A186-P209 HydrophobicContact CB-CB 4.35Å; A186-P209 CarbonylContact O-C 3.57Å; A186-P209 WeakPolarHBondContact O-CA 3.38Å; A186-L210 PolarHBondContact O-N 3.42Å; A186-N211 WeakPolarHBondContact CB-OD1 3.42Å
187	T	97.6	Very high	94.2	Very high	45 Å²	45	24.6 Å²	24.6	28%	0.276	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.1	1	-177.3	53.7	0	0	0	0	114	S185 R205 S206	S185-T187 PolarHBondContact O-N 2.81Å; S185-T187 PolarHBondContact OG-N 3.47Å; T187-R205 CarbonylContact O-C 3.58Å; T187-R205 WeakPolarHBondContact O-CA 3.15Å; T187-S206 WeakPolarHBondContact CB-O 3.5Å; T187-S206 PolarHBondContact O-N 3.09Å
188	E	97.9	Very high	94	Very high	34 Å²	34	25 Å²	25	16%	0.159	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	118	-170.5	-61.6	-171.8	164.2	0	0	112.4	K184 S185 V203 R205	K184-E188 HydrophobicContact CB-CB 4.34Å; K184-E188 PolarHBondContact N-O 2.75Å; S185-E188 PolarHBondContact N-O 3.11Å; S185-E188 PolarHBondContact O-N 3.32Å; S185-E188 WeakPolarHBondContact OG-CB 3.48Å; S185-E188 WeakPolarHBondContact OG-CG 3.17Å; S185-E188 PolarHBondContact OG-N 3.01Å; E188-V203 HydrophobicContact CB-CG1 4.14Å; E188-V203 HydrophobicContact CG-CG1 4.47Å; E188-R205 HydrophobicContact CG-CG 4.09Å; E188-R205 IonicContact OE1-CZ 3.16Å; E188-R205 IonicContact OE1-NE 2.69Å; E188-R205 PolarHBondContact OE1-NE 3.45Å; E188-R205 VanDerWaalsContact OE1-NE 3.16Å; E188-R205 IonicContact OE1-NH1 3.86Å; E188-R205 PolarHBondContact OE1-NH1 3.34Å; E188-R205 IonicContact OE1-NH2 3.1Å; E188-R205 PolarHBondContact OE1-NH2 3.49Å
189	V	98.3	Very high	93.8	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	134.6	169.9	178.9	0	0	0	0	108.7	F160 F169 E182 L183 V203 V204 L210 V218 L229 V231	F160-V189 HydrophobicContact CZ-CG2 4.5Å; F169-V189 HydrophobicContact CE2-CG1 4.25Å; E182-V189 WeakPolarHBondContact O-CA 3.39Å; L183-V189 HydrophobicContact CD1-CG2 3.88Å; V189-V203 WeakPolarHBondContact O-CA 3.29Å; V189-V204 PolarHBondContact N-O 2.88Å; V189-V204 VanDerWaalsContact N-O 3.11Å; V189-V204 PolarHBondContact O-N 2.98Å; V189-L210 HydrophobicContact CG2-CD1 3.7Å; V189-V218 HydrophobicContact CG1-CG1 4.33Å; V189-V218 HydrophobicContact CG1-CG2 4.35Å; V189-L229 HydrophobicContact CG1-CD2 4.29Å; V189-L229 WeakPolarHBondContact O-CD2 3.38Å; V189-V231 HydrophobicContact CB-CG2 3.69Å; V189-V231 HydrophobicContact CG1-CG2 4.02Å; V189-V231 HydrophobicContact CG2-CG1 4.4Å; V189-V231 HydrophobicContact CG2-CG2 3.84Å
190	S	97.7	Very high	93.7	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	139.3	-178.6	-177	0	0	0	0	112.1	L181 E182 K184 E201 I202	L181-S190 WeakPolarHBondContact CA-O 3.02Å; E182-S190 PolarHBondContact N-O 2.73Å; E182-S190 PolarHBondContact O-N 2.97Å; K184-S190 VanDerWaalsContact CD-CB 3.44Å; S190-E201 WeakPolarHBondContact CB-OE1 3.16Å; S190-E201 VanDerWaalsContact OG-CD 3.29Å; S190-E201 WeakPolarHBondContact OG-CG 3.42Å; S190-E201 PolarHBondContact OG-OE1 3.35Å; S190-I202 WeakPolarHBondContact CA-O 3.05Å
191	F	97.8	Very high	93.7	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	118.6	168.3	178.1	-141.3	0	0	0	108.5	I179 L181 F193 E201 I202 A220 R222 A227 L229	I179-F191 HydrophobicContact CD1-CE2 3.83Å; I179-F191 HydrophobicContact CD1-CZ 4.07Å; I179-F191 HydrophobicContact CG1-CE2 3.66Å; I179-F191 HydrophobicContact CG1-CZ 4.31Å; L181-F191 HydrophobicContact CD1-CD2 4.36Å; L181-F191 HydrophobicContact CD2-CB 3.65Å; L181-F191 HydrophobicContact CD2-CD2 3.71Å; L181-F191 HydrophobicContact CD2-CG 3.97Å; L181-F191 HydrophobicContact CG-CD2 3.74Å; L181-F191 HydrophobicContact CG-CE2 4.41Å; L181-F191 HydrophobicContact CG-CG 4.49Å; F191-F193 HydrophobicContact CD1-CD1 4.43Å; F191-F193 HydrophobicContact CD1-CE1 4.49Å; F191-F193 AromaticContact CE1-CD1 3.96Å; F191-F193 HydrophobicContact CE1-CD1 3.96Å; F191-F193 HydrophobicContact CE1-CE1 4.06Å; F191-F193 HydrophobicContact CE2-CD1 4.37Å; F191-F193 AromaticContact CZ-CD1 3.93Å; F191-F193 HydrophobicContact CZ-CD1 3.93Å; F191-F193 HydrophobicContact CZ-CE1 4.45Å; F191-E201 WeakPolarHBondContact O-CA 3.34Å; F191-I202 HydrophobicContact CD1-CD1 4.34Å; F191-I202 PolarHBondContact N-O 3.49Å; F191-I202 PolarHBondContact O-N 2.81Å; F191-A220 HydrophobicContact CD1-CB 3.97Å; F191-A220 HydrophobicContact CD2-CB 4.15Å; F191-A220 HydrophobicContact CE1-CB 4.14Å; F191-A220 HydrophobicContact CE2-CB 4.29Å; F191-A220 HydrophobicContact CG-CB 3.99Å; F191-A220 HydrophobicContact CZ-CB 4.3Å; F191-R222 HydrophobicContact CE1-CB 4.37Å; F191-R222 HydrophobicContact CZ-CB 4.31Å; F191-A227 HydrophobicContact CE1-CB 4.35Å; F191-L229 HydrophobicContact CB-CB 4.23Å; F191-L229 HydrophobicContact CB-CD1 4.1Å; F191-L229 HydrophobicContact CB-CD2 3.95Å; F191-L229 HydrophobicContact CB-CG 4.31Å
192	S	95.3	Very high	93.7	Very high	10 Å²	10	31.1 Å²	31.1	7%	0.07	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	144.8	-179	56.4	0	0	0	0	112	K180 V200	K180-S192 PolarHBondContact N-O 2.94Å; K180-S192 PolarHBondContact O-N 3.15Å; K180-S192 PolarHBondContact O-OG 3.39Å; S192-V200 CarbonylContact C-O 3.25Å; S192-V200 WeakPolarHBondContact CA-O 3.29Å
193	F	94.1	Very high	93.8	Very high	16 Å²	16	32 Å²	32	7%	0.07	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	154.6	176.5	60.2	-88.2	0	0	0	111.2	F178 I179 F191 V195 V200 R222 A227	F178-F193 CarbonylContact O-C 3.55Å; F178-F193 WeakPolarHBondContact O-CA 3.3Å; F178-F193 VanDerWaalsContact O-CB 3.25Å; F178-F193 WeakPolarHBondContact O-CB 3.34Å; I179-F193 HydrophobicContact CB-CB 4.44Å; I179-F193 HydrophobicContact CG1-CB 4.39Å; F191-F193 HydrophobicContact CD1-CD1 4.43Å; F191-F193 HydrophobicContact CD1-CE1 4.49Å; F191-F193 AromaticContact CE1-CD1 3.96Å; F191-F193 HydrophobicContact CE1-CD1 3.96Å; F191-F193 HydrophobicContact CE1-CE1 4.06Å; F191-F193 HydrophobicContact CE2-CD1 4.37Å; F191-F193 AromaticContact CZ-CD1 3.93Å; F191-F193 HydrophobicContact CZ-CD1 3.93Å; F191-F193 HydrophobicContact CZ-CE1 4.45Å; F193-V195 HydrophobicContact CD2-CG1 4.08Å; F193-V200 HydrophobicContact CD2-CB 4.42Å; F193-V200 HydrophobicContact CE1-CB 4.22Å; F193-V200 HydrophobicContact CE1-CG1 4Å; F193-V200 HydrophobicContact CE2-CB 4Å; F193-V200 HydrophobicContact CE2-CG1 4.36Å; F193-V200 HydrophobicContact CE2-CG2 4.3Å; F193-V200 HydrophobicContact CZ-CB 3.88Å; F193-V200 HydrophobicContact CZ-CG1 3.76Å; F193-V200 HydrophobicContact CZ-CG2 4.48Å; F193-V200 PolarHBondContact N-O 3.3Å; F193-V200 PolarHBondContact O-N 3.17Å; F193-R222 HydrophobicContact CZ-CG 4.4Å; F193-A227 HydrophobicContact CE1-CB 3.47Å; F193-A227 VanDerWaalsContact CE1-CB 3.47Å; F193-A227 HydrophobicContact CZ-CB 3.56Å
194	D	91.9	Very high	93.9	Very high	19 Å²	19	32 Å²	32	10%	0.102	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	141.1	169.1	-162.2	-20.3	0	0	0	108.7	D177 F178 G196 N197 G198 P199 L249	D177-D194 WeakPolarHBondContact CA-O 3.48Å; D177-D194 WeakPolarHBondContact CB-O 3.46Å; F178-D194 HydrophobicContact CD1-CB 3.62Å; F178-D194 HydrophobicContact CE1-CB 3.52Å; F178-D194 HydrophobicContact CZ-CB 4.36Å; F178-D194 PolarHBondContact N-O 2.95Å; F178-D194 VanDerWaalsContact N-O 3.12Å; F178-D194 PolarHBondContact O-N 3.47Å; D194-G196 PolarHBondContact OD1-N 3.05Å; D194-N197 PolarHBondContact OD1-N 3.19Å; D194-G198 WeakPolarHBondContact OD1-CA 3.47Å; D194-G198 PolarHBondContact OD1-N 2.8Å; D194-G198 WeakPolarHBondContact OD2-CA 3.43Å; D194-P199 WeakPolarHBondContact OD2-CD 3.46Å; D194-L249 WeakPolarHBondContact O-CD1 3.29Å
195	V	88.5	Confident	94	Very high	12 Å²	12	36.3 Å²	36.3	7%	0.073	21%	0.207	C	C	.	.	S	Bend	trans	-127	16.2	-178.1	-64.6	0	0	0	0	110.8	F193 H246 L249	F193-V195 HydrophobicContact CD2-CG1 4.08Å; V195-H246 WeakPolarHBondContact CG2-O 3.24Å; V195-H246 WeakPolarHBondContact O-CB 3.4Å; V195-L249 HydrophobicContact CG1-CB 4.18Å; V195-L249 HydrophobicContact CG1-CD1 3.82Å
196	G	83.5	Confident	94.1	Very high	31 Å²	31	35.1 Å²	35.1	32%	0.32	20%	0.199	S	C	.	.	S	Bend	trans	99.4	-0.9	-177.3	0	0	0	0	0	114.9	D177 D194	D177-G196 PolarHBondContact OD1-N 2.91Å; D194-G196 PolarHBondContact OD1-N 3.05Å
197	N	83.4	Confident	94	Very high	75 Å²	75	39.4 Å²	39.4	40%	0.401	22%	0.224	S	C	.	.	S	Bend	trans	-106	8.6	175.2	-51.7	-48.9	0	0	0	112.7	D194 G245 H246	D194-N197 PolarHBondContact OD1-N 3.19Å; N197-G245 VanDerWaalsContact OD1-CA 3.28Å; N197-G245 WeakPolarHBondContact OD1-CA 3.21Å; N197-H246 PolarHBondContact ND2-N 2.88Å; N197-H246 VanDerWaalsContact ND2-N 3.1Å; N197-H246 PolarHBondContact ND2-O 2.85Å; N197-H246 VanDerWaalsContact ND2-O 3.13Å; N197-H246 PolarHBondContact OD1-N 3.05Å; N197-H246 VanDerWaalsContact OD1-N 3.1Å
198	G	86.8	Confident	93.8	Very high	28 Å²	28	41.2 Å²	41.2	29%	0.289	24%	0.236	S	C	.	.			trans	97.5	161.3	-173.6	0	0	0	0	0	112.9	D194 V200	D194-G198 WeakPolarHBondContact OD1-CA 3.47Å; D194-G198 PolarHBondContact OD1-N 2.8Å; D194-G198 WeakPolarHBondContact OD2-CA 3.43Å; G198-V200 PolarHBondContact O-N 3.42Å
199	P	90.3	Very high	93.8	Very high	96 Å²	96	42.9 Å²	42.9	62%	0.623	25%	0.25	S	C	*	.			trans	-71.6	131.8	-170.9	27.2	-34.9	0	0	0	112.1	F178 D194	F178-P199 HydrophobicContact CE1-CB 4.08Å; F178-P199 HydrophobicContact CZ-CB 3.93Å; D194-P199 WeakPolarHBondContact OD2-CD 3.46Å
200	V	92	Very high	93.6	Very high	25 Å²	25	43 Å²	43	15%	0.152	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	133.1	173.3	176.6	0	0	0	0	108.8	S192 F193 G198 R239	S192-V200 CarbonylContact C-O 3.25Å; S192-V200 WeakPolarHBondContact CA-O 3.29Å; F193-V200 HydrophobicContact CD2-CB 4.42Å; F193-V200 HydrophobicContact CE1-CB 4.22Å; F193-V200 HydrophobicContact CE1-CG1 4Å; F193-V200 HydrophobicContact CE2-CB 4Å; F193-V200 HydrophobicContact CE2-CG1 4.36Å; F193-V200 HydrophobicContact CE2-CG2 4.3Å; F193-V200 HydrophobicContact CZ-CB 3.88Å; F193-V200 HydrophobicContact CZ-CG1 3.76Å; F193-V200 HydrophobicContact CZ-CG2 4.48Å; F193-V200 PolarHBondContact N-O 3.3Å; F193-V200 PolarHBondContact O-N 3.17Å; G198-V200 PolarHBondContact O-N 3.42Å; V200-R239 HydrophobicContact CG1-CG 4.42Å
201	E	95.4	Very high	93.4	Very high	70 Å²	70	44.8 Å²	44.8	33%	0.327	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	138.3	176.8	-167.8	178.9	-157.3	0	0	111.2	K184 S190 F191 V203 R239	K184-E201 VanDerWaalsContact CD-OE1 3.26Å; K184-E201 WeakPolarHBondContact CD-OE1 3.4Å; K184-E201 IonicContact NZ-OE1 3.33Å; K184-E201 PolarHBondContact NZ-OE1 2.99Å; K184-E201 IonicContact NZ-OE2 3.88Å; K184-E201 PolarHBondContact NZ-OE2 2.84Å; S190-E201 WeakPolarHBondContact CB-OE1 3.16Å; S190-E201 VanDerWaalsContact OG-CD 3.29Å; S190-E201 WeakPolarHBondContact OG-CG 3.42Å; S190-E201 PolarHBondContact OG-OE1 3.35Å; F191-E201 WeakPolarHBondContact O-CA 3.34Å; E201-V203 HydrophobicContact CG-CG2 3.97Å; E201-R239 PolarHBondContact O-NH1 3.26Å
202	I	97.4	Very high	92.9	Very high	9 Å²	9	48.2 Å²	48.2	5%	0.046	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	126.5	171.6	-51.9	178.3	0	0	0	107.8	S190 F191 A227 L229 Q237 R239	S190-I202 WeakPolarHBondContact CA-O 3.05Å; F191-I202 HydrophobicContact CD1-CD1 4.34Å; F191-I202 PolarHBondContact N-O 3.49Å; F191-I202 PolarHBondContact O-N 2.81Å; I202-A227 VanDerWaalsContact CD1-C 3.47Å; I202-A227 HydrophobicContact CD1-CB 3.62Å; I202-A227 WeakPolarHBondContact CD1-O 3.2Å; I202-L229 HydrophobicContact CB-CB 4.36Å; I202-L229 HydrophobicContact CG2-CB 3.83Å; I202-L229 WeakPolarHBondContact O-CD2 3.22Å; I202-Q237 HydrophobicContact CG2-CB 3.62Å; I202-R239 HydrophobicContact CD1-CB 3.82Å; I202-R239 HydrophobicContact CG1-CB 3.96Å
203	V	98	Very high	92.2	Very high	42 Å²	42	49.9 Å²	49.9	26%	0.255	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	131.4	-178	-177.5	0	0	0	0	110.1	E188 V189 E201 R205	E188-V203 HydrophobicContact CB-CG1 4.14Å; E188-V203 HydrophobicContact CG-CG1 4.47Å; V189-V203 WeakPolarHBondContact O-CA 3.29Å; E201-V203 HydrophobicContact CG-CG2 3.97Å; V203-R205 HydrophobicContact CG1-CG 4.29Å
204	V	98.3	Very high	91.7	Very high	5 Å²	5	54.6 Å²	54.6	3%	0.03	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	126.5	167.5	173.2	0	0	0	0	108.2	V189 L229 V231 L234 Q237	V189-V204 PolarHBondContact N-O 2.88Å; V189-V204 VanDerWaalsContact N-O 3.11Å; V189-V204 PolarHBondContact O-N 2.98Å; V204-L229 HydrophobicContact CB-CD2 4.24Å; V204-L229 HydrophobicContact CB-CG 4.47Å; V204-L229 HydrophobicContact CG2-CB 4.08Å; V204-L229 HydrophobicContact CG2-CD2 3.82Å; V204-L229 HydrophobicContact CG2-CG 3.66Å; V204-L229 WeakPolarHBondContact CG2-O 3.36Å; V204-V231 HydrophobicContact CB-CB 4.49Å; V204-V231 HydrophobicContact CB-CG2 3.83Å; V204-V231 HydrophobicContact CG1-CB 3.93Å; V204-V231 HydrophobicContact CG1-CG2 3.83Å; V204-V231 HydrophobicContact CG2-CG2 4.3Å; V204-L234 HydrophobicContact CG1-CB 4.23Å; V204-L234 HydrophobicContact CG1-CD1 3.83Å; V204-Q237 HydrophobicContact CG2-CB 4.23Å; V204-Q237 HydrophobicContact CG2-CG 3.73Å
205	R	97.9	Very high	91.6	Very high	183 Å²	183	57.4 Å²	57.4	69%	0.691	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.5	122.3	176	-55.5	-168.4	177.5	-140.4	-4.5	110.3	T187 E188 V203	T187-R205 CarbonylContact O-C 3.58Å; T187-R205 WeakPolarHBondContact O-CA 3.15Å; E188-R205 HydrophobicContact CG-CG 4.09Å; E188-R205 IonicContact OE1-CZ 3.16Å; E188-R205 IonicContact OE1-NE 2.69Å; E188-R205 PolarHBondContact OE1-NE 3.45Å; E188-R205 VanDerWaalsContact OE1-NE 3.16Å; E188-R205 IonicContact OE1-NH1 3.86Å; E188-R205 PolarHBondContact OE1-NH1 3.34Å; E188-R205 IonicContact OE1-NH2 3.1Å; E188-R205 PolarHBondContact OE1-NH2 3.49Å; V203-R205 HydrophobicContact CG1-CG 4.29Å
206	S	97	Very high	91.8	Very high	12 Å²	12	57.4 Å²	57.4	8%	0.084	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-87.7	139.3	174.8	-179.1	0	0	0	0	110.8	T187 T208	T187-S206 WeakPolarHBondContact CB-O 3.5Å; T187-S206 PolarHBondContact O-N 3.09Å; S206-T208 VanDerWaalsContact CB-O 3.25Å; S206-T208 WeakPolarHBondContact CB-O 3.38Å; S206-T208 PolarHBondContact O-N 2.93Å; S206-T208 PolarHBondContact OG-N 3.43Å; S206-T208 PolarHBondContact OG-O 2.82Å
207	P	95.5	Very high	92.4	Very high	115 Å²	115	60.6 Å²	60.6	75%	0.747	32%	0.319	S	S	*	.	S	Bend	trans	-69.4	-21.6	172.9	29	-34.5	0	0	0	112.9
208	T	93.6	Very high	93.1	Very high	83 Å²	83	57 Å²	57	51%	0.509	30%	0.3	S	S	.	.	S	Bend	trans	-117.3	149.6	177.8	55	0	0	0	0	110.9	S206 L210	S206-T208 VanDerWaalsContact CB-O 3.25Å; S206-T208 WeakPolarHBondContact CB-O 3.38Å; S206-T208 PolarHBondContact O-N 2.93Å; S206-T208 PolarHBondContact OG-N 3.43Å; S206-T208 PolarHBondContact OG-O 2.82Å; T208-L210 PolarHBondContact O-N 3.14Å
209	P	96.4	Very high	93.6	Very high	70 Å²	70	57.5 Å²	57.5	46%	0.455	30%	0.297	S	S	.	.			trans	-56.5	137.9	172.7	-23.5	34.2	0	0	0	112	A186 N211	A186-P209 HydrophobicContact CB-CB 4.35Å; A186-P209 CarbonylContact O-C 3.57Å; A186-P209 WeakPolarHBondContact O-CA 3.38Å; P209-N211 WeakPolarHBondContact CB-OD1 3.26Å
210	L	95.8	Very high	94	Very high	2 Å²	2	52.9 Å²	52.9	1%	0.01	27%	0.268	C	S	.	.	S	Bend	trans	-98	1.7	179	-59.5	171.9	0	0	0	112.4	F160 L183 A186 V189 T208 D212 H216 V231	F160-L210 HydrophobicContact CE2-CB 4.38Å; F160-L210 HydrophobicContact CZ-CB 4.05Å; F160-L210 HydrophobicContact CZ-CD1 4.45Å; L183-L210 HydrophobicContact CD1-CB 4.48Å; L183-L210 HydrophobicContact CD1-CD1 4.33Å; A186-L210 PolarHBondContact O-N 3.42Å; V189-L210 HydrophobicContact CG2-CD1 3.7Å; T208-L210 PolarHBondContact O-N 3.14Å; L210-D212 VanDerWaalsContact C-N 3.34Å; L210-H216 PolarHBondContact O-CD2 2.76Å; L210-H216 VanDerWaalsContact O-CD2 3.24Å; L210-H216 PolarHBondContact O-NE2 3.35Å; L210-V231 HydrophobicContact CD1-CG1 4.21Å; L210-V231 HydrophobicContact CD2-CG1 4.4Å
211	N	92.9	Very high	94.2	Very high	37 Å²	37	55.2 Å²	55.2	20%	0.198	28%	0.277	C	S	.	.			trans	-101.5	42.3	174.5	70.7	-48.1	0	0	0	111.1	T162 L163 T164 A186 P209	T162-N211 HydrophobicContact CG2-CB 4.15Å; T162-N211 CarbonylContact O-C 3.55Å; T162-N211 WeakPolarHBondContact O-CA 3.27Å; L163-N211 PolarHBondContact O-ND2 2.77Å; T164-N211 WeakPolarHBondContact O-CB 3.36Å; A186-N211 WeakPolarHBondContact CB-OD1 3.42Å; P209-N211 WeakPolarHBondContact CB-OD1 3.26Å
212	D	86.3	Confident	94.1	Very high	72 Å²	72	52.4 Å²	52.4	39%	0.385	26%	0.263	S	S	.	.	S	Bend	trans	-96.2	12.5	-174	67.6	-4.9	0	0	0	113.4	L210 Q214 H216	L210-D212 VanDerWaalsContact C-N 3.34Å; D212-Q214 PolarHBondContact O-N 3.24Å; D212-Q214 WeakPolarHBondContact OD1-CA 3.36Å; D212-Q214 VanDerWaalsContact OD1-CB 3.25Å; D212-Q214 WeakPolarHBondContact OD1-CB 3.47Å; D212-Q214 PolarHBondContact OD1-N 3.19Å; D212-H216 IonicContact OD1-CD2 3.75Å; D212-H216 IonicContact OD1-CE1 2.85Å; D212-H216 IonicContact OD1-NE2 3.16Å; D212-H216 PolarHBondContact OD1-NE2 2.56Å; D212-H216 IonicContact OD2-CE1 3.37Å; D212-H216 IonicContact OD2-NE2 2.76Å
213	D	80.6	Confident	93.7	Very high	46 Å²	46	53.9 Å²	53.9	25%	0.246	27%	0.271	C	S	.	.	S	Bend	trans	58.4	22.4	-172.5	-159.2	44.5	0	0	0	114.9	K161 T162 L163	K161-D213 VanDerWaalsContact CD-O 3.31Å; K161-D213 WeakPolarHBondContact CD-O 3.32Å; K161-D213 VanDerWaalsContact CE-OD1 3.3Å; K161-D213 WeakPolarHBondContact CE-OD1 3.13Å; K161-D213 WeakPolarHBondContact CG-O 2.89Å; K161-D213 IonicContact NZ-OD1 2.62Å; K161-D213 PolarHBondContact NZ-OD1 2.76Å; K161-D213 IonicContact NZ-OD2 3.12Å; K161-D213 PolarHBondContact NZ-OD2 2.88Å; T162-D213 PolarHBondContact O-N 2.82Å; T162-D213 VanDerWaalsContact O-N 3.14Å; L163-D213 HydrophobicContact CD2-CB 3.77Å; L163-D213 HydrophobicContact CG-CB 4.19Å
214	Q	84.8	Confident	93.3	Very high	115 Å²	115	55.4 Å²	55.4	54%	0.537	28%	0.281	S	S	.	.	S	Bend	trans	-103.5	163.4	170.4	-56.8	-55	-57.5	0	0	112.2	K161 D212 H216	K161-Q214 WeakPolarHBondContact CA-O 3.21Å; D212-Q214 PolarHBondContact O-N 3.24Å; D212-Q214 WeakPolarHBondContact OD1-CA 3.36Å; D212-Q214 VanDerWaalsContact OD1-CB 3.25Å; D212-Q214 WeakPolarHBondContact OD1-CB 3.47Å; D212-Q214 PolarHBondContact OD1-N 3.19Å; Q214-H216 PolarHBondContact O-CD2 2.91Å; Q214-H216 PolarHBondContact O-N 2.79Å
215	W	88.7	Confident	92.8	Very high	77 Å²	77	63 Å²	63	29%	0.292	31%	0.313	S	S	.	.			trans	-81.6	116.7	178.1	-75.4	107.9	0	0	0	111.2	F160 K161 C269 R271 C296	F160-W215 WeakPolarHBondContact O-CA 3.45Å; K161-W215 HydrophobicContact CB-CD2 3.98Å; K161-W215 HydrophobicContact CB-CE3 3.77Å; K161-W215 HydrophobicContact CB-CH2 4.3Å; K161-W215 HydrophobicContact CB-CZ2 4.46Å; K161-W215 HydrophobicContact CB-CZ3 3.93Å; K161-W215 HydrophobicContact CD-CD2 4.44Å; W215-C269 HydrophobicContact CH2-CB 3.5Å; W215-C269 VanDerWaalsContact CH2-CB 3.5Å; W215-C269 HydrophobicContact CZ2-CB 4.25Å; W215-C269 HydrophobicContact CZ3-CB 4.05Å; W215-R271 HydrophobicContact CD2-CG 4.49Å; W215-R271 HydrophobicContact CE3-CG 3.91Å; W215-R271 HydrophobicContact CH2-CB 3.84Å; W215-R271 HydrophobicContact CH2-CG 3.67Å; W215-R271 HydrophobicContact CZ2-CG 4.29Å; W215-R271 HydrophobicContact CZ3-CB 4.02Å; W215-R271 HydrophobicContact CZ3-CG 3.48Å; W215-R271 VanDerWaalsContact CZ3-CG 3.48Å; W215-C296 HydrophobicContact CH2-CB 4.01Å; W215-C296 HydrophobicContact CZ2-CB 3.8Å
216	H	93.6	Very high	92.6	Very high	13 Å²	13	57.3 Å²	57.3	6%	0.06	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	142.3	172	-63	-72.6	0	0	0	110.8	Y159 F160 L210 D212 Q214 D232	Y159-H216 CarbonylContact C-O 3.58Å; Y159-H216 WeakPolarHBondContact CA-O 3.21Å; Y159-H216 WeakPolarHBondContact CB-O 3.26Å; F160-H216 HydrophobicContact CD1-CB 4.01Å; F160-H216 HydrophobicContact CE1-CB 3.48Å; F160-H216 VanDerWaalsContact CE1-CB 3.48Å; F160-H216 HydrophobicContact CE2-CB 4.22Å; F160-H216 HydrophobicContact CZ-CB 3.61Å; F160-H216 PolarHBondContact N-O 2.93Å; F160-H216 PolarHBondContact O-N 2.86Å; L210-H216 PolarHBondContact O-CD2 2.76Å; L210-H216 VanDerWaalsContact O-CD2 3.24Å; L210-H216 PolarHBondContact O-NE2 3.35Å; D212-H216 IonicContact OD1-CD2 3.75Å; D212-H216 IonicContact OD1-CE1 2.85Å; D212-H216 IonicContact OD1-NE2 3.16Å; D212-H216 PolarHBondContact OD1-NE2 2.56Å; D212-H216 IonicContact OD2-CE1 3.37Å; D212-H216 IonicContact OD2-NE2 2.76Å; Q214-H216 PolarHBondContact O-CD2 2.91Å; Q214-H216 PolarHBondContact O-N 2.79Å; H216-D232 VanDerWaalsContact CA-OD1 3.26Å; H216-D232 WeakPolarHBondContact CA-OD1 3.24Å; H216-D232 IonicContact CE1-OD2 3.87Å; H216-D232 IonicContact CG-OD2 2.64Å; H216-D232 IonicContact ND1-OD1 2.74Å; H216-D232 IonicContact ND1-OD2 2.93Å; H216-D232 PolarHBondContact ND1-OD2 2.91Å
217	R	95.6	Very high	92.5	Very high	97 Å²	97	56.9 Å²	56.9	37%	0.366	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	132.5	177.2	-170.6	174.3	66.3	175.1	3	110.3	Y159 V231 D232	Y159-R217 HydrophobicContact CD1-CB 3.72Å; Y159-R217 HydrophobicContact CD1-CG 4.18Å; Y159-R217 HydrophobicContact CE1-CB 3.6Å; Y159-R217 HydrophobicContact CE1-CG 3.87Å; Y159-R217 HydrophobicContact CE2-CG 4.42Å; Y159-R217 HydrophobicContact CG-CB 4.46Å; R217-V231 CarbonylContact O-C 3.45Å; R217-V231 WeakPolarHBondContact O-CA 3.23Å; R217-D232 PolarHBondContact N-OD1 3.25Å; R217-D232 PolarHBondContact O-N 3.43Å
218	V	98.2	Very high	92.6	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	131.9	171.8	-179.5	0	0	0	0	108.6	S157 F158 F160 L181 V189 L229	S157-V218 VanDerWaalsContact CA-O 3.28Å; S157-V218 WeakPolarHBondContact CA-O 3.26Å; F158-V218 HydrophobicContact CD1-CB 4.28Å; F158-V218 HydrophobicContact CE1-CB 3.73Å; F158-V218 HydrophobicContact CE1-CG1 3.79Å; F158-V218 HydrophobicContact CE2-CB 4.09Å; F158-V218 HydrophobicContact CE2-CG2 4.1Å; F158-V218 HydrophobicContact CZ-CB 3.64Å; F158-V218 HydrophobicContact CZ-CG1 3.86Å; F158-V218 HydrophobicContact CZ-CG2 3.93Å; F158-V218 PolarHBondContact N-O 2.92Å; F158-V218 PolarHBondContact O-N 3.24Å; F160-V218 HydrophobicContact CD1-CG2 3.68Å; F160-V218 HydrophobicContact CE1-CG2 3.55Å; L181-V218 HydrophobicContact CD2-CG1 4.27Å; V189-V218 HydrophobicContact CG1-CG1 4.33Å; V189-V218 HydrophobicContact CG1-CG2 4.35Å; V218-L229 HydrophobicContact CG1-CD1 3.85Å
219	T	97.7	Very high	92.8	Very high	38 Å²	38	47.7 Å²	47.7	23%	0.233	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	123	172	-53.8	0	0	0	0	108.4	I156 Q230	I156-T219 CarbonylContact O-C 3.42Å; I156-T219 WeakPolarHBondContact O-CA 3.08Å; T219-Q230 PolarHBondContact N-O 2.97Å; T219-Q230 PolarHBondContact O-N 2.87Å
220	A	97.9	Very high	92.9	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	130.1	177.1	0	0	0	0	0	109.4	I156 L181 F191 S228 L229	I156-A220 HydrophobicContact CB-CB 4.49Å; I156-A220 PolarHBondContact N-O 2.83Å; I156-A220 PolarHBondContact O-N 3.21Å; L181-A220 HydrophobicContact CD1-CB 4.07Å; L181-A220 HydrophobicContact CD2-CB 3.94Å; F191-A220 HydrophobicContact CD1-CB 3.97Å; F191-A220 HydrophobicContact CD2-CB 4.15Å; F191-A220 HydrophobicContact CE1-CB 4.14Å; F191-A220 HydrophobicContact CE2-CB 4.29Å; F191-A220 HydrophobicContact CG-CB 3.99Å; F191-A220 HydrophobicContact CZ-CB 4.3Å; A220-S228 WeakPolarHBondContact CA-O 3.41Å; A220-L229 HydrophobicContact CB-CD1 4.1Å
221	E	96.2	Very high	93	Very high	74 Å²	74	46.8 Å²	46.8	35%	0.346	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	137.3	179	-165	-165	149	0	0	109.5	A154 N223 A227 S228	A154-E221 CarbonylContact O-C 3.4Å; A154-E221 VanDerWaalsContact O-CA 3.23Å; A154-E221 WeakPolarHBondContact O-CA 3.41Å; E221-N223 PolarHBondContact OE1-ND2 3.1Å; E221-N223 VanDerWaalsContact OE1-ND2 3.14Å; E221-A227 CarbonylContact O-C 3.57Å; E221-A227 WeakPolarHBondContact O-CA 3.27Å; E221-S228 PolarHBondContact N-O 2.89Å; E221-S228 PolarHBondContact O-N 2.76Å
222	R	93.6	Very high	93	Very high	10 Å²	10	47.2 Å²	47.2	4%	0.038	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	134.6	168.2	177.7	-165.7	171.3	-101.4	-9.2	107.9	E151 S153 A154 F191 F193 A227 T247	E151-R222 PolarHBondContact O-NH1 2.79Å; S153-R222 CarbonylContact C-O 3.56Å; S153-R222 WeakPolarHBondContact CA-O 3.21Å; A154-R222 HydrophobicContact CB-CB 4.18Å; A154-R222 PolarHBondContact N-O 2.82Å; A154-R222 PolarHBondContact O-N 3.2Å; F191-R222 HydrophobicContact CE1-CB 4.37Å; F191-R222 HydrophobicContact CZ-CB 4.31Å; F193-R222 HydrophobicContact CZ-CG 4.4Å; R222-A227 HydrophobicContact CB-CB 4.34Å; R222-A227 HydrophobicContact CG-CB 4.4Å; R222-T247 PolarHBondContact NH2-O 2.9Å
223	N	89.9	Confident	93.1	Very high	40 Å²	40	55 Å²	55	21%	0.214	25%	0.25	C	C	.	.			trans	-139.9	-178.9	166.1	62	53.1	0	0	0	109.5	E221 K225 Q226	E221-N223 PolarHBondContact OE1-ND2 3.1Å; E221-N223 VanDerWaalsContact OE1-ND2 3.14Å; N223-K225 PolarHBondContact O-N 2.89Å; N223-K225 VanDerWaalsContact O-N 3.14Å; N223-K225 WeakPolarHBondContact OD1-CA 3.33Å; N223-K225 WeakPolarHBondContact OD1-CB 3.34Å; N223-K225 PolarHBondContact OD1-N 2.84Å; N223-Q226 PolarHBondContact N-O 3.01Å; N223-Q226 PolarHBondContact OD1-N 3.04Å; N223-Q226 PolarHBondContact OD1-O 3.12Å
224	V	88	Confident	93.6	Very high	75 Å²	75	54.6 Å²	54.6	46%	0.455	25%	0.247	S	C	.	.	S	Bend	trans	-64	-16.4	-178.2	-59.9	0	0	0	0	114.4	A241	V224-A241 WeakPolarHBondContact O-CB 3.44Å
225	K	89.2	Confident	94	Very high	163 Å²	163	53.8 Å²	53.8	71%	0.709	25%	0.252	S	S	*	.	S	Bend	trans	-101.1	-35.3	-178.2	-62.2	-174.8	180	178.5	0	112.8	N223 A241	N223-K225 PolarHBondContact O-N 2.89Å; N223-K225 VanDerWaalsContact O-N 3.14Å; N223-K225 WeakPolarHBondContact OD1-CA 3.33Å; N223-K225 WeakPolarHBondContact OD1-CB 3.34Å; N223-K225 PolarHBondContact OD1-N 2.84Å; K225-A241 WeakPolarHBondContact O-CB 3.11Å; K225-A241 PolarHBondContact O-N 2.93Å
226	Q	92.9	Very high	94.3	Very high	64 Å²	64	54.2 Å²	54.2	30%	0.299	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	162.2	-174.6	66.5	-176.1	23.5	0	0	112	N223 I238 R239	N223-Q226 PolarHBondContact N-O 3.01Å; N223-Q226 PolarHBondContact OD1-N 3.04Å; N223-Q226 PolarHBondContact OD1-O 3.12Å; Q226-I238 HydrophobicContact CB-CG2 4.06Å; Q226-I238 HydrophobicContact CG-CG2 4.3Å; Q226-R239 CarbonylContact C-O 3.58Å; Q226-R239 VanDerWaalsContact CA-O 3.29Å; Q226-R239 WeakPolarHBondContact CA-O 3.41Å; Q226-R239 WeakPolarHBondContact CB-O 3.16Å
227	A	95.3	Very high	94.5	Very high	4 Å²	4	57.6 Å²	57.6	3%	0.033	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	152.9	164.4	0	0	0	0	0	110.1	F191 F193 I202 E221 R222 I238 R239	F191-A227 HydrophobicContact CE1-CB 4.35Å; F193-A227 HydrophobicContact CE1-CB 3.47Å; F193-A227 VanDerWaalsContact CE1-CB 3.47Å; F193-A227 HydrophobicContact CZ-CB 3.56Å; I202-A227 VanDerWaalsContact CD1-C 3.47Å; I202-A227 HydrophobicContact CD1-CB 3.62Å; I202-A227 WeakPolarHBondContact CD1-O 3.2Å; E221-A227 CarbonylContact O-C 3.57Å; E221-A227 WeakPolarHBondContact O-CA 3.27Å; R222-A227 HydrophobicContact CB-CB 4.34Å; R222-A227 HydrophobicContact CG-CB 4.4Å; A227-I238 CarbonylContact O-C 3.59Å; A227-I238 WeakPolarHBondContact O-CA 3.41Å; A227-R239 PolarHBondContact N-O 2.62Å; A227-R239 PolarHBondContact O-N 2.73Å
228	S	97.1	Very high	94.5	Very high	5 Å²	5	57.3 Å²	57.3	4%	0.035	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	153.2	-178.3	76.1	0	0	0	0	113.1	A220 E221 Q236 Q237	A220-S228 WeakPolarHBondContact CA-O 3.41Å; E221-S228 PolarHBondContact N-O 2.89Å; E221-S228 PolarHBondContact O-N 2.76Å; S228-Q236 PolarHBondContact OG-NE2 2.9Å; S228-Q237 CarbonylContact C-O 3.54Å; S228-Q237 WeakPolarHBondContact CA-O 3.24Å; S228-Q237 VanDerWaalsContact CB-O 3.31Å; S228-Q237 WeakPolarHBondContact CB-O 3.18Å
229	L	98.5	Very high	94.3	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	134.7	176.4	179.2	62.5	0	0	0	109.4	L181 V189 F191 I202 V204 V218 A220 Q237	L181-L229 HydrophobicContact CD2-CD1 4.07Å; V189-L229 HydrophobicContact CG1-CD2 4.29Å; V189-L229 WeakPolarHBondContact O-CD2 3.38Å; F191-L229 HydrophobicContact CB-CB 4.23Å; F191-L229 HydrophobicContact CB-CD1 4.1Å; F191-L229 HydrophobicContact CB-CD2 3.95Å; F191-L229 HydrophobicContact CB-CG 4.31Å; I202-L229 HydrophobicContact CB-CB 4.36Å; I202-L229 HydrophobicContact CG2-CB 3.83Å; I202-L229 WeakPolarHBondContact O-CD2 3.22Å; V204-L229 HydrophobicContact CB-CD2 4.24Å; V204-L229 HydrophobicContact CB-CG 4.47Å; V204-L229 HydrophobicContact CG2-CB 4.08Å; V204-L229 HydrophobicContact CG2-CD2 3.82Å; V204-L229 HydrophobicContact CG2-CG 3.66Å; V204-L229 WeakPolarHBondContact CG2-O 3.36Å; V218-L229 HydrophobicContact CG1-CD1 3.85Å; A220-L229 HydrophobicContact CB-CD1 4.1Å; L229-Q237 PolarHBondContact N-O 2.72Å; L229-Q237 PolarHBondContact O-N 2.75Å
230	Q	97.6	Very high	94	Very high	53 Å²	53	69.8 Å²	69.8	25%	0.248	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	135.9	172.2	-176.2	171.2	46.6	0	0	110	T219 L234 Q236	T219-Q230 PolarHBondContact N-O 2.97Å; T219-Q230 PolarHBondContact O-N 2.87Å; Q230-L234 PolarHBondContact NE2-O 3.17Å; Q230-L234 VanDerWaalsContact NE2-O 3.12Å; Q230-Q236 HydrophobicContact CB-CB 4.34Å; Q230-Q236 HydrophobicContact CB-CG 4.37Å
231	V	97.7	Very high	93.4	Very high	0 Å²	0	71.6 Å²	71.6	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	127.3	172	-175.5	0	0	0	0	108.2	V189 V204 L210 R217 R233 L234	V189-V231 HydrophobicContact CB-CG2 3.69Å; V189-V231 HydrophobicContact CG1-CG2 4.02Å; V189-V231 HydrophobicContact CG2-CG1 4.4Å; V189-V231 HydrophobicContact CG2-CG2 3.84Å; V204-V231 HydrophobicContact CB-CB 4.49Å; V204-V231 HydrophobicContact CB-CG2 3.83Å; V204-V231 HydrophobicContact CG1-CB 3.93Å; V204-V231 HydrophobicContact CG1-CG2 3.83Å; V204-V231 HydrophobicContact CG2-CG2 4.3Å; L210-V231 HydrophobicContact CD1-CG1 4.21Å; L210-V231 HydrophobicContact CD2-CG1 4.4Å; R217-V231 CarbonylContact O-C 3.45Å; R217-V231 WeakPolarHBondContact O-CA 3.23Å; V231-R233 PolarHBondContact O-N 3.14Å; V231-R233 VanDerWaalsContact O-N 3.14Å; V231-L234 HydrophobicContact CB-CD1 4.41Å; V231-L234 VanDerWaalsContact O-CB 3.25Å; V231-L234 WeakPolarHBondContact O-CB 3.19Å; V231-L234 WeakPolarHBondContact O-CG 3.09Å; V231-L234 PolarHBondContact O-N 3.05Å
232	D	92.9	Very high	92.7	Very high	45 Å²	45	72.2 Å²	72.2	24%	0.241	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	51	-111.8	-175.3	-65.7	-36.4	0	0	0	113.7	H216 R217	H216-D232 VanDerWaalsContact CA-OD1 3.26Å; H216-D232 WeakPolarHBondContact CA-OD1 3.24Å; H216-D232 IonicContact CE1-OD2 3.87Å; H216-D232 IonicContact CG-OD2 2.64Å; H216-D232 IonicContact ND1-OD1 2.74Å; H216-D232 IonicContact ND1-OD2 2.93Å; H216-D232 PolarHBondContact ND1-OD2 2.91Å; R217-D232 PolarHBondContact N-OD1 3.25Å; R217-D232 PolarHBondContact O-N 3.43Å
233	R	88.4	Confident	91.7	Very high	237 Å²	237	78.9 Å²	78.9	89%	0.894	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.7	14.4	176.8	-59	-177.2	-175.3	170.1	2.1	111.3	V231	V231-R233 PolarHBondContact O-N 3.14Å; V231-R233 VanDerWaalsContact O-N 3.14Å
234	L	90.9	Very high	90.8	Very high	37 Å²	37	84.9 Å²	84.9	19%	0.194	42%	0.419	C	S	.	.	S	Bend	trans	-67.3	157	175.9	-61.4	176.1	0	0	0	110.2	V204 Q230 V231 Q236	V204-L234 HydrophobicContact CG1-CB 4.23Å; V204-L234 HydrophobicContact CG1-CD1 3.83Å; Q230-L234 PolarHBondContact NE2-O 3.17Å; Q230-L234 VanDerWaalsContact NE2-O 3.12Å; V231-L234 HydrophobicContact CB-CD1 4.41Å; V231-L234 VanDerWaalsContact O-CB 3.25Å; V231-L234 WeakPolarHBondContact O-CB 3.19Å; V231-L234 WeakPolarHBondContact O-CG 3.09Å; V231-L234 PolarHBondContact O-N 3.05Å; L234-Q236 PolarHBondContact O-N 2.64Å
235	P	94.5	Very high	89.9	Confident	98 Å²	98	83.6 Å²	83.6	64%	0.636	42%	0.421	S	S	*	.	P	Polyproline II helix	trans	-56	126.2	176.7	-24.7	34.6	0	0	0	111.5	Q237	P235-Q237 PolarHBondContact O-N 3.47Å; P235-Q237 PolarHBondContact O-NE2 2.91Å
236	Q	95.1	Very high	89.3	Confident	85 Å²	85	81.9 Å²	81.9	40%	0.397	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-61.6	128.5	176.7	-177.7	-179.7	-2	0	0	109.8	S228 Q230 L234 I238	S228-Q236 PolarHBondContact OG-NE2 2.9Å; Q230-Q236 HydrophobicContact CB-CB 4.34Å; Q230-Q236 HydrophobicContact CB-CG 4.37Å; L234-Q236 PolarHBondContact O-N 2.64Å; Q236-I238 HydrophobicContact CG-CG1 4.09Å
237	Q	97.5	Very high	88.8	Confident	85 Å²	85	82.6 Å²	82.6	40%	0.397	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	131.7	174	-61.4	-56.3	-49.8	0	0	108.7	I202 V204 S228 L229 P235	I202-Q237 HydrophobicContact CG2-CB 3.62Å; V204-Q237 HydrophobicContact CG2-CB 4.23Å; V204-Q237 HydrophobicContact CG2-CG 3.73Å; S228-Q237 CarbonylContact C-O 3.54Å; S228-Q237 WeakPolarHBondContact CA-O 3.24Å; S228-Q237 VanDerWaalsContact CB-O 3.31Å; S228-Q237 WeakPolarHBondContact CB-O 3.18Å; L229-Q237 PolarHBondContact N-O 2.72Å; L229-Q237 PolarHBondContact O-N 2.75Å; P235-Q237 PolarHBondContact O-N 3.47Å; P235-Q237 PolarHBondContact O-NE2 2.91Å
238	I	95.9	Very high	88.3	Confident	90 Å²	90	88.8 Å²	88.8	46%	0.462	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	135	-175.3	-58.1	176.1	0	0	0	108.9	Q226 A227 Q236	Q226-I238 HydrophobicContact CB-CG2 4.06Å; Q226-I238 HydrophobicContact CG-CG2 4.3Å; A227-I238 CarbonylContact O-C 3.59Å; A227-I238 WeakPolarHBondContact O-CA 3.41Å; Q236-I238 HydrophobicContact CG-CG1 4.09Å
239	R	93.3	Very high	87.9	Confident	124 Å²	124	88.7 Å²	88.7	47%	0.468	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	122.2	173.8	-172.1	161	176.6	165.7	-0.8	109.3	V200 E201 I202 Q226 A227	V200-R239 HydrophobicContact CG1-CG 4.42Å; E201-R239 PolarHBondContact O-NH1 3.26Å; I202-R239 HydrophobicContact CD1-CB 3.82Å; I202-R239 HydrophobicContact CG1-CB 3.96Å; Q226-R239 CarbonylContact C-O 3.58Å; Q226-R239 VanDerWaalsContact CA-O 3.29Å; Q226-R239 WeakPolarHBondContact CA-O 3.41Å; Q226-R239 WeakPolarHBondContact CB-O 3.16Å; A227-R239 PolarHBondContact N-O 2.62Å; A227-R239 PolarHBondContact O-N 2.73Å
240	K	90.8	Very high	87.5	Confident	176 Å²	176	93 Å²	93	77%	0.765	47%	0.466	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.1	143.3	177.5	-66.9	-175.5	179.3	179.9	0	110.2
241	A	85.3	Confident	87.2	Confident	38 Å²	38	91.4 Å²	91.4	31%	0.314	46%	0.459	S	S	.	.	P	Polyproline II helix	trans	-67.5	144.6	172.2	0	0	0	0	0	109.7	V224 K225	V224-A241 WeakPolarHBondContact O-CB 3.44Å; K225-A241 WeakPolarHBondContact O-CB 3.11Å; K225-A241 PolarHBondContact O-N 2.93Å
242	P	81.6	Confident	86.8	Confident	87 Å²	87	98.6 Å²	98.6	57%	0.565	49%	0.487	S	S	*	.	P	Polyproline II helix	trans	-54.6	145.1	169.9	-24.3	34.6	0	0	0	111.6	E244	P242-E244 VanDerWaalsContact C-N 3.27Å; P242-E244 WeakPolarHBondContact CB-O 3.24Å; P242-E244 PolarHBondContact O-N 2.74Å
243	T	74.2	Confident	86.7	Confident	150 Å²	150	97.9 Å²	97.9	92%	0.92	49%	0.486	S	S	*	.	S	Bend	trans	-72.9	-20.4	177.8	41.5	0	0	0	0	113.2
244	E	70.6	Confident	86.9	Confident	166 Å²	166	91 Å²	91	78%	0.776	46%	0.464	S	S	*	.	S	Bend	trans	-126.3	139.8	177.7	-63.7	-178.5	-178.8	0	0	109.2	P242	P242-E244 VanDerWaalsContact C-N 3.27Å; P242-E244 WeakPolarHBondContact CB-O 3.24Å; P242-E244 PolarHBondContact O-N 2.74Å
245	G	69.7	Low	87	Confident	48 Å²	48	89.3 Å²	89.3	50%	0.495	46%	0.455	S	S	.	.	S	Bend	trans	130.7	-178	174.2	0	0	0	0	0	114.8	N197	N197-G245 VanDerWaalsContact OD1-CA 3.28Å; N197-G245 WeakPolarHBondContact OD1-CA 3.21Å
246	H	76.5	Confident	87	Confident	127 Å²	127	86.1 Å²	86.1	59%	0.588	43%	0.431	S	S	*	.			trans	-66.8	136.5	177.2	-67.4	-84.9	0	0	0	111.8	V195 N197	V195-H246 WeakPolarHBondContact CG2-O 3.24Å; V195-H246 WeakPolarHBondContact O-CB 3.4Å; N197-H246 PolarHBondContact ND2-N 2.88Å; N197-H246 VanDerWaalsContact ND2-N 3.1Å; N197-H246 PolarHBondContact ND2-O 2.85Å; N197-H246 VanDerWaalsContact ND2-O 3.13Å; N197-H246 PolarHBondContact OD1-N 3.05Å; N197-H246 VanDerWaalsContact OD1-N 3.1Å
247	T	80.8	Confident	86.9	Confident	79 Å²	79	82.1 Å²	82.1	49%	0.485	41%	0.413	S	S	.	.			trans	-111.5	-12	179.6	56.1	0	0	0	0	113.1	R222	R222-T247 PolarHBondContact NH2-O 2.9Å
248	R	86.4	Confident	86.6	Confident	134 Å²	134	78.1 Å²	78.1	51%	0.506	39%	0.394	S	S	.	.			trans	-95.2	129.4	-176.3	-130.8	173.3	-176.6	179.1	-3.8	109.5	E151	E151-R248 HydrophobicContact CB-CG 3.81Å; E151-R248 HydrophobicContact CG-CG 4.25Å; E151-R248 CarbonylContact O-C 3.5Å; E151-R248 WeakPolarHBondContact O-CA 3.35Å; E151-R248 IonicContact OE1-NH2 2.74Å; E151-R248 IonicContact OE2-CZ 3.63Å; E151-R248 IonicContact OE2-NE 2.7Å; E151-R248 PolarHBondContact OE2-NE 3.08Å; E151-R248 IonicContact OE2-NH2 3.71Å; E151-R248 PolarHBondContact OE2-NH2 2.91Å
249	L	88.2	Confident	86	Confident	3 Å²	3	73.9 Å²	73.9	2%	0.016	37%	0.373	C	S	.	.			trans	-94.2	106.8	173.4	-178.1	70.7	0	0	0	108.9	E151 D177 I179 D194 V195 L251	E151-L249 PolarHBondContact O-N 2.89Å; D177-L249 HydrophobicContact CB-CD1 4.04Å; D177-L249 WeakPolarHBondContact OD2-CA 3.48Å; I179-L249 HydrophobicContact CB-CD2 4.15Å; I179-L249 HydrophobicContact CD1-CD2 4.23Å; I179-L249 HydrophobicContact CG2-CD2 4.36Å; D194-L249 WeakPolarHBondContact O-CD1 3.29Å; V195-L249 HydrophobicContact CG1-CB 4.18Å; V195-L249 HydrophobicContact CG1-CD1 3.82Å; L249-L251 HydrophobicContact CD1-CD2 4.17Å; L249-L251 HydrophobicContact CD2-CD1 3.89Å; L249-L251 HydrophobicContact CD2-CD2 4.44Å; L249-L251 HydrophobicContact CD2-CG 4.23Å; L249-L251 HydrophobicContact CG-CD1 4.18Å; L249-L251 HydrophobicContact CG-CD2 4.08Å; L249-L251 HydrophobicContact CG-CG 3.95Å
250	E	89.9	Confident	85	Confident	92 Å²	92	68.4 Å²	68.4	43%	0.43	35%	0.354	S	S	.	.			trans	-99.2	98.3	-177.2	-66.9	-171.1	179.1	0	0	111.6	G174 D177 Y252	G174-E250 VanDerWaalsContact CA-O 3.31Å; G174-E250 WeakPolarHBondContact CA-O 3.49Å; D177-E250 PolarHBondContact OD2-N 2.97Å; E250-Y252 HydrophobicContact CB-CE2 4.13Å; E250-Y252 PolarHBondContact OE2-OH 3.15Å
251	L	91.8	Very high	83.6	Confident	18 Å²	18	62.7 Å²	62.7	9%	0.094	35%	0.345	C	S	.	.	B	Isolated β-bridge	trans	-102.9	138	-179.3	-56.5	172.4	0	0	0	110.5	T147 F148 N172 I179 L249	T147-L251 HydrophobicContact CG2-CB 3.93Å; T147-L251 WeakPolarHBondContact CG2-O 3.36Å; F148-L251 HydrophobicContact CB-CD1 4.15Å; F148-L251 HydrophobicContact CD1-CD1 3.93Å; N172-L251 HydrophobicContact CB-CD1 4.06Å; N172-L251 WeakPolarHBondContact O-CD2 3.29Å; I179-L251 HydrophobicContact CG2-CD1 3.82Å; I179-L251 HydrophobicContact CG2-CD2 4.4Å; L249-L251 HydrophobicContact CD1-CD2 4.17Å; L249-L251 HydrophobicContact CD2-CD1 3.89Å; L249-L251 HydrophobicContact CD2-CD2 4.44Å; L249-L251 HydrophobicContact CD2-CG 4.23Å; L249-L251 HydrophobicContact CG-CD1 4.18Å; L249-L251 HydrophobicContact CG-CD2 4.08Å; L249-L251 HydrophobicContact CG-CG 3.95Å
252	Y	88.7	Confident	82.4	Confident	151 Å²	151	64.8 Å²	64.8	59%	0.592	37%	0.37	S	S	*	.			trans	-125	-24.5	-178	-59.6	-72.4	0	0	0	113.3	M173 K175 E250	M173-Y252 PolarHBondContact O-N 3.02Å; K175-Y252 HydrophobicContact CB-CE2 4.43Å; E250-Y252 HydrophobicContact CB-CE2 4.13Å; E250-Y252 PolarHBondContact OE2-OH 3.15Å
253	S	90.1	Very high	81.7	Confident	30 Å²	30	65.7 Å²	65.7	21%	0.21	37%	0.367	C	S	.	.	S	Bend	trans	-78.1	167	177.7	63.4	0	0	0	0	112.1	T147 N172 M173	T147-S253 VanDerWaalsContact CB-O 3.31Å; T147-S253 WeakPolarHBondContact CB-O 3.45Å; T147-S253 VanDerWaalsContact CG2-O 3.26Å; T147-S253 WeakPolarHBondContact CG2-O 3.31Å; T147-S253 PolarHBondContact OG1-O 2.81Å; N172-S253 PolarHBondContact ND2-O 2.81Å; N172-S253 PolarHBondContact ND2-OG 3.16Å; M173-S253 WeakPolarHBondContact CA-OG 3.44Å; M173-S253 PolarHBondContact N-OG 3.43Å; M173-S253 WeakPolarHBondContact O-CB 3.07Å; M173-S253 PolarHBondContact O-N 3.24Å; M173-S253 PolarHBondContact O-OG 3.38Å
254	Q	92.6	Very high	81.8	Confident	93 Å²	93	64.4 Å²	64.4	44%	0.435	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-65.2	152.4	166.4	-69.2	180	-31.2	0	0	110.3	H144 F145 N172 F256	H144-Q254 HydrophobicContact CB-CB 4.39Å; H144-Q254 PolarHBondContact CD2-OE1 3.21Å; H144-Q254 VanDerWaalsContact CD2-OE1 3.3Å; F145-Q254 WeakPolarHBondContact O-CB 3.39Å; N172-Q254 PolarHBondContact ND2-O 2.96Å; Q254-F256 WeakPolarHBondContact O-CD2 3.45Å; Q254-F256 PolarHBondContact O-N 3.38Å
255	L	93.7	Very high	82.5	Confident	2 Å²	2	56.5 Å²	56.5	1%	0.01	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	119.3	172.1	170.6	71.3	0	0	0	108.8	H144 F145 L170 N172 V257 M275 L280	H144-L255 CarbonylContact C-O 3.46Å; H144-L255 VanDerWaalsContact CA-O 3.27Å; H144-L255 WeakPolarHBondContact CA-O 3.39Å; F145-L255 HydrophobicContact CB-CB 4.23Å; F145-L255 HydrophobicContact CB-CD2 4.16Å; F145-L255 PolarHBondContact N-O 2.9Å; F145-L255 PolarHBondContact O-N 3.06Å; F145-L255 VanDerWaalsContact O-N 3.08Å; L170-L255 HydrophobicContact CB-CD1 4.37Å; L170-L255 HydrophobicContact CD1-CD1 4.31Å; N172-L255 HydrophobicContact CB-CD1 3.92Å; L255-V257 HydrophobicContact CD2-CG2 4.26Å; L255-V257 HydrophobicContact CG-CG2 4.2Å; L255-M275 HydrophobicContact CD1-CE 4.22Å; L255-M275 HydrophobicContact CD1-SD 4.3Å; L255-M275 HydrophobicContact CD2-CE 4.16Å; L255-M275 HydrophobicContact CD2-SD 3.28Å; L255-M275 WeakPolarHBondContact CD2-SD 3.23Å; L255-M275 HydrophobicContact CG-SD 4.43Å; L255-L280 HydrophobicContact CD2-CD1 3.62Å
256	F	93.6	Very high	83.5	Confident	31 Å²	31	54.2 Å²	54.2	14%	0.136	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	133.4	172.5	-59.9	-74.8	0	0	0	110	Y142 H144 L170 E171 Q254 G259	Y142-F256 AromaticContact CD2-CD1 3.4Å; Y142-F256 HydrophobicContact CD2-CD1 3.4Å; Y142-F256 AromaticContact CD2-CE1 3.86Å; Y142-F256 HydrophobicContact CD2-CE1 3.86Å; Y142-F256 AromaticContact CE2-CD1 3.61Å; Y142-F256 HydrophobicContact CE2-CD1 3.61Å; Y142-F256 AromaticContact CE2-CE1 3.53Å; Y142-F256 HydrophobicContact CE2-CE1 3.53Å; Y142-F256 HydrophobicContact CG-CD1 4Å; H144-F256 HydrophobicContact CB-CD1 4.31Å; H144-F256 HydrophobicContact CB-CE1 4.4Å; L170-F256 CarbonylContact C-O 3.57Å; L170-F256 WeakPolarHBondContact CA-O 3.46Å; L170-F256 WeakPolarHBondContact CB-O 3.31Å; E171-F256 PolarHBondContact N-O 2.06Å; E171-F256 PolarHBondContact O-N 3.23Å; Q254-F256 WeakPolarHBondContact O-CD2 3.45Å; Q254-F256 PolarHBondContact O-N 3.38Å; F256-G259 VanDerWaalsContact CB-O 3.31Å; F256-G259 WeakPolarHBondContact CB-O 3.43Å
257	V	94.8	Very high	84.1	Confident	1 Å²	1	48.9 Å²	48.9	1%	0.006	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	131.5	176.1	179.6	0	0	0	0	107.9	F136 Y142 L143 F145 F169 L170 L255 G259 I270 L273 L282	F136-V257 HydrophobicContact CE1-CG1 4.45Å; F136-V257 VanDerWaalsContact CE1-O 3.26Å; F136-V257 WeakPolarHBondContact CE1-O 3.3Å; F136-V257 HydrophobicContact CZ-CG1 3.92Å; Y142-V257 CarbonylContact C-O 3.33Å; Y142-V257 WeakPolarHBondContact CA-O 3.12Å; L143-V257 HydrophobicContact CB-CB 4.47Å; L143-V257 PolarHBondContact N-O 2.88Å; L143-V257 PolarHBondContact O-N 3.13Å; F145-V257 HydrophobicContact CD2-CB 4.45Å; F145-V257 HydrophobicContact CD2-CG2 3.71Å; F145-V257 HydrophobicContact CE2-CB 4.17Å; F145-V257 HydrophobicContact CE2-CG2 3.79Å; F169-V257 CarbonylContact O-C 2.77Å; F169-V257 WeakPolarHBondContact O-CA 3.12Å; L170-V257 HydrophobicContact CB-CG2 4.36Å; L255-V257 HydrophobicContact CD2-CG2 4.26Å; L255-V257 HydrophobicContact CG-CG2 4.2Å; V257-G259 VanDerWaalsContact C-N 3.29Å; V257-I270 HydrophobicContact CG1-CD1 3.84Å; V257-L273 HydrophobicContact CG1-CD2 3.93Å; V257-L273 HydrophobicContact CG2-CD2 3.71Å; V257-L282 HydrophobicContact CG1-CD2 4.26Å
258	G	89.8	Confident	84.5	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.25	C	S	.	.	S	Bend	trans	81.1	2.8	-177.3	0	0	0	0	0	115.2	F136 S141 V168 F169 G265 F266	F136-G258 VanDerWaalsContact CE1-CA 3.5Å; S141-G258 VanDerWaalsContact O-O 3.09Å; V168-G258 CarbonylContact O-C 3.48Å; F169-G258 PolarHBondContact O-N 2.73Å; G258-G265 CarbonylContact O-C 3.59Å; G258-G265 WeakPolarHBondContact O-CA 3.26Å; G258-F266 PolarHBondContact O-N 3.23Å
259	G	83.1	Confident	84.7	Confident	2 Å²	2	40 Å²	40	2%	0.021	23%	0.229	C	C	.	.			trans	-168.8	168.4	176.3	0	0	0	0	0	111.6	V168 F256 V257	V168-G259 PolarHBondContact O-N 3.01Å; F256-G259 VanDerWaalsContact CB-O 3.31Å; F256-G259 WeakPolarHBondContact CB-O 3.43Å; V257-G259 VanDerWaalsContact C-N 3.29Å
260	A	73.9	Confident	84.9	Confident	9 Å²	9	39.9 Å²	39.9	7%	0.074	23%	0.229	C	C	.	.			trans	-128.7	150.3	178.5	0	0	0	0	0	109.1	V168 E171 G262 Q263	V168-A260 HydrophobicContact CB-CB 4.06Å; V168-A260 HydrophobicContact CG1-CB 3.89Å; V168-A260 HydrophobicContact CG2-CB 3.98Å; E171-A260 HydrophobicContact CB-CB 4.09Å; E171-A260 HydrophobicContact CG-CB 4.36Å; E171-A260 WeakPolarHBondContact OE1-CB 3.37Å; E171-A260 WeakPolarHBondContact OE2-CA 3.48Å; E171-A260 WeakPolarHBondContact OE2-CB 3.34Å; A260-G262 VanDerWaalsContact C-N 3.28Å; A260-G262 PolarHBondContact O-N 3.29Å; A260-Q263 HydrophobicContact CB-CB 4.07Å; A260-Q263 PolarHBondContact O-N 3.14Å
261	G	60.2	Low	85	Confident	55 Å²	55	36.2 Å²	36.2	57%	0.567	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.5	82.9	-179.9	0	0	0	0	0	111.8	E171	E171-G261 PolarHBondContact OE2-N 2.98Å
262	G	61.1	Low	85	Confident	82 Å²	82	35.9 Å²	35.9	85%	0.845	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	109.5	4.8	177.6	0	0	0	0	0	116.6	A260	A260-G262 VanDerWaalsContact C-N 3.28Å; A260-G262 PolarHBondContact O-N 3.29Å
263	Q	66.6	Low	85.3	Confident	106 Å²	106	28.8 Å²	28.8	50%	0.495	18%	0.183	S	C	.	.	S	Bend	trans	-114.9	167.7	175.5	-62.4	-161.6	-22.6	0	0	112.9	V168 A260 G265	V168-Q263 HydrophobicContact CG2-CB 4.44Å; A260-Q263 HydrophobicContact CB-CB 4.07Å; A260-Q263 PolarHBondContact O-N 3.14Å; Q263-G265 PolarHBondContact O-N 3.09Å; Q263-G265 VanDerWaalsContact O-N 3.17Å
264	Q	76.6	Confident	85.5	Confident	123 Å²	123	31.6 Å²	31.6	58%	0.575	19%	0.189	S	C	*	.			trans	-65.7	106.8	173.9	-114.5	175.5	5.5	0	0	110	W166	W166-Q264 HydrophobicContact CE3-CB 3.83Å; W166-Q264 HydrophobicContact CE3-CG 4.26Å; W166-Q264 HydrophobicContact CH2-CB 3.85Å; W166-Q264 HydrophobicContact CH2-CG 3.34Å; W166-Q264 VanDerWaalsContact CZ2-CD 3.41Å; W166-Q264 HydrophobicContact CZ2-CG 4.23Å; W166-Q264 HydrophobicContact CZ3-CB 3.29Å; W166-Q264 VanDerWaalsContact CZ3-CD 3.45Å; W166-Q264 HydrophobicContact CZ3-CG 3.37Å
265	G	83.8	Confident	85.5	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	-73.1	170.9	-176.3	0	0	0	0	0	114	P139 G258 Q263	P139-G265 WeakPolarHBondContact O-CA 3.32Å; P139-G265 PolarHBondContact O-N 2.97Å; G258-G265 CarbonylContact O-C 3.59Å; G258-G265 WeakPolarHBondContact O-CA 3.26Å; Q263-G265 PolarHBondContact O-N 3.09Å; Q263-G265 VanDerWaalsContact O-N 3.17Å
266	F	91.3	Very high	85.3	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	18%	0.184	C	C	.	.			trans	-74	135.2	-179.1	172.7	-101.6	0	0	0	111.5	F136 F160 T162 V168 F169 G258 I270	F136-F266 HydrophobicContact CB-CD1 4.32Å; F136-F266 VanDerWaalsContact CB-O 3.25Å; F136-F266 WeakPolarHBondContact CB-O 3.36Å; F136-F266 AromaticContact CD2-CD1 3.99Å; F136-F266 HydrophobicContact CD2-CD1 3.99Å; F136-F266 HydrophobicContact CD2-CE1 4.21Å; F136-F266 HydrophobicContact CG-CD1 4.21Å; F160-F266 HydrophobicContact CB-CE2 4.39Å; F160-F266 HydrophobicContact CB-CZ 3.99Å; F160-F266 HydrophobicContact CD2-CE2 4.26Å; F160-F266 HydrophobicContact CD2-CZ 4.45Å; T162-F266 HydrophobicContact CG2-CE2 4.04Å; V168-F266 WeakPolarHBondContact O-CB 3.48Å; V168-F266 PolarHBondContact O-N 3.18Å; F169-F266 HydrophobicContact CD1-CD1 4.48Å; F169-F266 AromaticContact CD1-CD2 3.6Å; F169-F266 HydrophobicContact CD1-CD2 3.6Å; F169-F266 AromaticContact CD1-CE2 3.85Å; F169-F266 HydrophobicContact CD1-CE2 3.85Å; F169-F266 AromaticContact CD1-CG 3.95Å; F169-F266 HydrophobicContact CD1-CG 3.95Å; F169-F266 HydrophobicContact CD1-CZ 4.38Å; F169-F266 AromaticContact CE1-CD2 3.47Å; F169-F266 HydrophobicContact CE1-CD2 3.47Å; F169-F266 VanDerWaalsContact CE1-CD2 3.47Å; F169-F266 AromaticContact CE1-CE2 3.35Å; F169-F266 HydrophobicContact CE1-CE2 3.35Å; F169-F266 HydrophobicContact CE1-CG 4.27Å; F169-F266 HydrophobicContact CE1-CZ 4.05Å; F169-F266 HydrophobicContact CZ-CE2 4.42Å; G258-F266 PolarHBondContact O-N 3.23Å; F266-I270 HydrophobicContact CD1-CD1 3.89Å; F266-I270 HydrophobicContact CD1-CG1 3.86Å; F266-I270 HydrophobicContact CE1-CD1 4.15Å; F266-I270 HydrophobicContact CE1-CG1 3.59Å; F266-I270 HydrophobicContact CZ-CG1 4.4Å
267	L	88.5	Confident	84.9	Confident	16 Å²	16	31.6 Å²	31.6	8%	0.084	21%	0.207	C	C	.	.			trans	-114.7	120.7	175.1	-158.2	168	0	0	0	108.3	T162 Y317	T162-L267 VanDerWaalsContact CB-O 3.31Å; T162-L267 WeakPolarHBondContact CB-O 3.43Å; T162-L267 PolarHBondContact OG1-O 2.89Å; L267-Y317 HydrophobicContact CD1-CD2 3.32Å; L267-Y317 HydrophobicContact CD1-CE2 3.84Å; L267-Y317 HydrophobicContact CD1-CG 4.21Å; L267-Y317 HydrophobicContact CD2-CD2 4.01Å; L267-Y317 HydrophobicContact CD2-CG 4.38Å; L267-Y317 HydrophobicContact CG-CD2 4.27Å
268	G	89.3	Confident	84.7	Confident	15 Å²	15	35.9 Å²	35.9	16%	0.155	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	143.8	-147.2	-179	0	0	0	0	0	111.9	S135 F136 K161	S135-G268 CarbonylContact C-O 3.51Å; S135-G268 WeakPolarHBondContact CA-O 3.48Å; F136-G268 PolarHBondContact N-O 2.91Å; F136-G268 PolarHBondContact O-N 2.76Å; F136-G268 VanDerWaalsContact O-N 3.16Å; K161-G268 CarbonylContact O-C 3.48Å; K161-G268 VanDerWaalsContact O-CA 3.29Å; K161-G268 WeakPolarHBondContact O-CA 3.02Å
269	C	90.8	Very high	84.7	Confident	10 Å²	10	37.8 Å²	37.8	7%	0.068	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	141.7	177.6	-57.6	0	0	0	0	111.8	A134 S135 F160 K161 W215 C296	A134-C269 WeakPolarHBondContact O-CA 3.35Å; S135-C269 PolarHBondContact OG-SG 2.75Å; F160-C269 CarbonylContact C-O 3.58Å; F160-C269 WeakPolarHBondContact CA-O 3.05Å; K161-C269 HydrophobicContact CB-CB 4.3Å; K161-C269 PolarHBondContact N-O 2.03Å; K161-C269 PolarHBondContact O-N 2.99Å; W215-C269 HydrophobicContact CH2-CB 3.5Å; W215-C269 VanDerWaalsContact CH2-CB 3.5Å; W215-C269 HydrophobicContact CZ2-CB 4.25Å; W215-C269 HydrophobicContact CZ3-CB 4.05Å; C269-C296 HydrophobicContact CB-CB 3.55Å; C269-C296 WeakPolarHBondContact CB-SG 3.28Å; C269-C296 WeakPolarHBondContact SG-CB 3.04Å; C269-C296 CovalentContact SG-SG 2.02Å; C269-C296 PolarHBondContact SG-SG 2.94Å
270	I	93.8	Very high	85.1	Confident	2 Å²	2	38.9 Å²	38.9	1%	0.01	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	138	166.1	-57.3	177	0	0	0	107.7	A133 A134 F136 F158 Y159 F169 V257 F266 L273 L282	A133-I270 VanDerWaalsContact CA-O 3.26Å; A133-I270 WeakPolarHBondContact CA-O 3.46Å; A134-I270 PolarHBondContact N-O 3.23Å; A134-I270 PolarHBondContact O-N 2.84Å; F136-I270 HydrophobicContact CD2-CD1 4.36Å; F136-I270 HydrophobicContact CD2-CG1 4.17Å; F136-I270 HydrophobicContact CE2-CB 3.81Å; F136-I270 HydrophobicContact CE2-CD1 3.77Å; F136-I270 HydrophobicContact CE2-CG1 3.7Å; F136-I270 HydrophobicContact CZ-CD1 4.08Å; F136-I270 HydrophobicContact CZ-CG1 4.46Å; F158-I270 HydrophobicContact CB-CG2 4.16Å; F158-I270 HydrophobicContact CD2-CG2 4Å; F158-I270 HydrophobicContact CG-CG2 4.37Å; Y159-I270 CarbonylContact O-C 3.56Å; Y159-I270 WeakPolarHBondContact O-CA 3.45Å; F169-I270 HydrophobicContact CD1-CD1 4.44Å; V257-I270 HydrophobicContact CG1-CD1 3.84Å; F266-I270 HydrophobicContact CD1-CD1 3.89Å; F266-I270 HydrophobicContact CD1-CG1 3.86Å; F266-I270 HydrophobicContact CE1-CD1 4.15Å; F266-I270 HydrophobicContact CE1-CG1 3.59Å; F266-I270 HydrophobicContact CZ-CG1 4.4Å; I270-L273 HydrophobicContact CG2-CB 4.41Å; I270-L282 HydrophobicContact CB-CD1 4.23Å; I270-L282 HydrophobicContact CG2-CD1 3.9Å; I270-L282 WeakPolarHBondContact O-CD1 3.08Å
271	R	91.9	Very high	86	Confident	14 Å²	14	42.1 Å²	42.1	5%	0.053	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	160.5	173.5	72.4	173.9	-177.5	-175.9	-4.2	112.6	Y130 N132 A133 Y159 W215 L273	Y130-R271 PolarHBondContact OH-NH1 3.49Å; Y130-R271 PolarHBondContact OH-NH2 2.89Å; N132-R271 CarbonylContact O-C 3.56Å; N132-R271 WeakPolarHBondContact O-CA 3.29Å; N132-R271 WeakPolarHBondContact O-CB 3.42Å; A133-R271 HydrophobicContact CB-CB 3.56Å; Y159-R271 HydrophobicContact CD2-CG 4.16Å; Y159-R271 HydrophobicContact CG-CG 4.22Å; Y159-R271 PolarHBondContact N-O 3.44Å; Y159-R271 PolarHBondContact O-N 2.96Å; W215-R271 HydrophobicContact CD2-CG 4.49Å; W215-R271 HydrophobicContact CE3-CG 3.91Å; W215-R271 HydrophobicContact CH2-CB 3.84Å; W215-R271 HydrophobicContact CH2-CG 3.67Å; W215-R271 HydrophobicContact CZ2-CG 4.29Å; W215-R271 HydrophobicContact CZ3-CB 4.02Å; W215-R271 HydrophobicContact CZ3-CG 3.48Å; W215-R271 VanDerWaalsContact CZ3-CG 3.48Å; R271-L273 PolarHBondContact O-N 3.1Å
272	S	91.1	Very high	87.5	Confident	12 Å²	12	39.5 Å²	39.5	8%	0.084	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	51.5	39.2	173.8	-176.1	0	0	0	0	112.6	N129 N132 R274	N129-S272 VanDerWaalsContact O-CA 3.3Å; N129-S272 WeakPolarHBondContact O-CA 3.38Å; N129-S272 VanDerWaalsContact O-CB 3.29Å; N129-S272 WeakPolarHBondContact O-CB 3.25Å; N129-S272 PolarHBondContact O-OG 3.25Å; N132-S272 PolarHBondContact O-N 3.22Å; S272-R274 PolarHBondContact O-N 3.31Å
273	L	95.5	Very high	88.8	Confident	1 Å²	1	36.9 Å²	36.9	1%	0.005	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	119.1	178	177.8	62	0	0	0	110	I156 S157 F158 L170 V257 I270 R271 M275 L280 L282	I156-L273 HydrophobicContact CG2-CD1 4.32Å; S157-L273 CarbonylContact O-C 3.5Å; S157-L273 WeakPolarHBondContact O-CA 3.41Å; F158-L273 HydrophobicContact CB-CB 4.19Å; F158-L273 HydrophobicContact CB-CD1 3.78Å; F158-L273 HydrophobicContact CD1-CD1 3.97Å; F158-L273 HydrophobicContact CG-CD1 4.13Å; L170-L273 HydrophobicContact CD2-CD1 4.07Å; V257-L273 HydrophobicContact CG1-CD2 3.93Å; V257-L273 HydrophobicContact CG2-CD2 3.71Å; I270-L273 HydrophobicContact CG2-CB 4.41Å; R271-L273 PolarHBondContact O-N 3.1Å; L273-M275 HydrophobicContact CD1-CG 4.44Å; L273-L280 HydrophobicContact CD2-CB 4.5Å; L273-L280 HydrophobicContact CD2-CD1 3.82Å; L273-L280 HydrophobicContact CG-CD1 4.16Å; L273-L280 PolarHBondContact O-N 3.01Å; L273-L282 HydrophobicContact CB-CD1 3.96Å; L273-L282 HydrophobicContact CB-CD2 4.38Å; L273-L282 HydrophobicContact CB-CG 4.33Å; L273-L282 HydrophobicContact CD2-CD2 4.07Å
274	R	93.4	Very high	89.8	Confident	90 Å²	90	37.8 Å²	37.8	34%	0.34	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	138.1	178	-70.5	-177.3	172.1	-175.4	1.8	110.1	I156 S157 S272 V278 T279	I156-R274 WeakPolarHBondContact CA-O 3.17Å; S157-R274 PolarHBondContact N-O 3Å; S157-R274 PolarHBondContact O-N 3.35Å; S272-R274 PolarHBondContact O-N 3.31Å; R274-V278 CarbonylContact C-O 3.57Å; R274-V278 VanDerWaalsContact CA-O 3.26Å; R274-V278 WeakPolarHBondContact CA-O 3.42Å; R274-T279 HydrophobicContact CG-CG2 4.46Å; R274-T279 WeakPolarHBondContact CG-OG1 3.35Å; R274-T279 PolarHBondContact NE-OG1 3.07Å
275	M	92.8	Very high	90.5	Very high	8 Å²	8	34.9 Å²	34.9	4%	0.039	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	121.4	175.9	-62.2	-171.7	79.5	0	0	109.2	F148 D155 I156 L255 L273 G277 V278 L280	F148-M275 HydrophobicContact CB-CE 4.1Å; F148-M275 HydrophobicContact CD1-CE 3.91Å; F148-M275 HydrophobicContact CD2-CB 4.09Å; F148-M275 HydrophobicContact CD2-CE 3.52Å; F148-M275 HydrophobicContact CD2-SD 4.25Å; F148-M275 HydrophobicContact CE1-CE 4.17Å; F148-M275 HydrophobicContact CE2-CB 3.81Å; F148-M275 HydrophobicContact CE2-CE 3.84Å; F148-M275 HydrophobicContact CG-CE 3.56Å; F148-M275 HydrophobicContact CZ-CE 4.14Å; D155-M275 CarbonylContact O-C 3.55Å; D155-M275 VanDerWaalsContact O-CA 3.29Å; D155-M275 WeakPolarHBondContact O-CA 3.38Å; I156-M275 HydrophobicContact CD1-CE 3.75Å; I156-M275 HydrophobicContact CG1-CE 3.9Å; I156-M275 HydrophobicContact CG1-CG 4.32Å; I156-M275 HydrophobicContact CG2-CG 4.31Å; L255-M275 HydrophobicContact CD1-CE 4.22Å; L255-M275 HydrophobicContact CD1-SD 4.3Å; L255-M275 HydrophobicContact CD2-CE 4.16Å; L255-M275 HydrophobicContact CD2-SD 3.28Å; L255-M275 WeakPolarHBondContact CD2-SD 3.23Å; L255-M275 HydrophobicContact CG-SD 4.43Å; L273-M275 HydrophobicContact CD1-CG 4.44Å; M275-G277 PolarHBondContact O-N 2.94Å; M275-V278 PolarHBondContact N-O 2.76Å; M275-V278 WeakPolarHBondContact O-CB 3.45Å; M275-V278 PolarHBondContact O-N 2.86Å; M275-L280 HydrophobicContact CG-CD1 4.22Å; M275-L280 HydrophobicContact SD-CD1 3.79Å
276	N	90.2	Very high	90.6	Very high	57 Å²	57	34.9 Å²	34.9	31%	0.305	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.8	44.2	-175.6	-70.8	-8	0	0	0	112.9	F148 Q149 S153 A154 D155 V278	F148-N276 HydrophobicContact CE2-CB 4.22Å; F148-N276 WeakPolarHBondContact CE2-ND2 3.45Å; F148-N276 VanDerWaalsContact CZ-ND2 3.28Å; F148-N276 WeakPolarHBondContact CZ-ND2 3.41Å; Q149-N276 PolarHBondContact O-ND2 2.92Å; S153-N276 PolarHBondContact O-ND2 3.37Å; A154-N276 WeakPolarHBondContact CA-OD1 3.39Å; D155-N276 PolarHBondContact N-OD1 2.94Å; D155-N276 PolarHBondContact O-N 2.96Å; N276-V278 PolarHBondContact O-N 2.86Å
277	G	85	Confident	90.3	Very high	61 Å²	61	41 Å²	41	63%	0.629	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.3	-9.1	-178.1	0	0	0	0	0	115.7	M275	M275-G277 PolarHBondContact O-N 2.94Å
278	V	89.8	Confident	90.2	Very high	91 Å²	91	45 Å²	45	55%	0.552	25%	0.245	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-88.3	126.6	176.7	-177.1	0	0	0	0	109.9	R274 M275 N276	R274-V278 CarbonylContact C-O 3.57Å; R274-V278 VanDerWaalsContact CA-O 3.26Å; R274-V278 WeakPolarHBondContact CA-O 3.42Å; M275-V278 PolarHBondContact N-O 2.76Å; M275-V278 WeakPolarHBondContact O-CB 3.45Å; M275-V278 PolarHBondContact O-N 2.86Å; N276-V278 PolarHBondContact O-N 2.86Å
279	T	90	Very high	89.9	Confident	39 Å²	39	45.9 Å²	45.9	24%	0.239	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	121.8	173.3	-57.1	0	0	0	0	109.3	N129 R274	N129-T279 HydrophobicContact CB-CG2 4.42Å; R274-T279 HydrophobicContact CG-CG2 4.46Å; R274-T279 WeakPolarHBondContact CG-OG1 3.35Å; R274-T279 PolarHBondContact NE-OG1 3.07Å
280	L	92.5	Very high	89	Confident	26 Å²	26	51 Å²	51	14%	0.136	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-83.6	122.8	176.4	-66	177.4	0	0	0	109.7	N132 F145 L255 L273 M275 L282	N132-L280 PolarHBondContact ND2-O 3.47Å; F145-L280 HydrophobicContact CD1-CB 4.23Å; F145-L280 HydrophobicContact CD1-CD1 4.4Å; F145-L280 HydrophobicContact CD1-CD2 3.98Å; F145-L280 HydrophobicContact CD1-CG 4.44Å; F145-L280 HydrophobicContact CD2-CD1 4.36Å; F145-L280 HydrophobicContact CE1-CB 4Å; F145-L280 HydrophobicContact CG-CD1 4.19Å; F145-L280 HydrophobicContact CG-CD2 4.37Å; F145-L280 HydrophobicContact CZ-CB 4.35Å; L255-L280 HydrophobicContact CD2-CD1 3.62Å; L273-L280 HydrophobicContact CD2-CB 4.5Å; L273-L280 HydrophobicContact CD2-CD1 3.82Å; L273-L280 HydrophobicContact CG-CD1 4.16Å; L273-L280 PolarHBondContact O-N 3.01Å; M275-L280 HydrophobicContact CG-CD1 4.22Å; M275-L280 HydrophobicContact SD-CD1 3.79Å; L280-L282 PolarHBondContact O-N 3.18Å
281	D	91.1	Very high	88	Confident	76 Å²	76	53.9 Å²	53.9	41%	0.406	31%	0.313	S	S	.	.			trans	-74.1	91.1	-178.6	-160.1	-34.9	0	0	0	111.4	E283 E284 R285	D281-E283 PolarHBondContact OD1-N 2.75Å; D281-E284 HydrophobicContact CB-CB 4.25Å; D281-E284 WeakPolarHBondContact OD1-CB 3.23Å; D281-E284 PolarHBondContact OD1-N 3.35Å; D281-R285 VanDerWaalsContact O-CB 3.23Å; D281-R285 WeakPolarHBondContact O-CB 3.39Å; D281-R285 PolarHBondContact O-N 3.46Å
282	L	92.3	Very high	87.1	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-69.2	-36.7	177.1	-59.9	176	0	0	0	110.8	N132 A134 L143 F145 V257 I270 L273 L280 A286	N132-L282 WeakPolarHBondContact OD1-CA 3.41Å; N132-L282 WeakPolarHBondContact OD1-CB 3.33Å; N132-L282 PolarHBondContact OD1-N 2.82Å; A134-L282 HydrophobicContact CB-CB 3.89Å; L143-L282 HydrophobicContact CD1-CD2 4.43Å; F145-L282 HydrophobicContact CE2-CD2 4.02Å; F145-L282 HydrophobicContact CZ-CD2 3.81Å; V257-L282 HydrophobicContact CG1-CD2 4.26Å; I270-L282 HydrophobicContact CB-CD1 4.23Å; I270-L282 HydrophobicContact CG2-CD1 3.9Å; I270-L282 WeakPolarHBondContact O-CD1 3.08Å; L273-L282 HydrophobicContact CB-CD1 3.96Å; L273-L282 HydrophobicContact CB-CD2 4.38Å; L273-L282 HydrophobicContact CB-CG 4.33Å; L273-L282 HydrophobicContact CD2-CD2 4.07Å; L280-L282 PolarHBondContact O-N 3.18Å; L282-A286 WeakPolarHBondContact O-CB 3.48Å; L282-A286 PolarHBondContact O-N 2.98Å
283	E	88.3	Confident	86.3	Confident	27 Å²	27	57.6 Å²	57.6	13%	0.126	33%	0.331	C	S	.	.	H	α-helix	trans	-67.5	-49.1	-175.9	-168.6	-173.9	157.2	0	0	111.1	N132 D281 R285 A286 K287 R295	N132-E283 PolarHBondContact OD1-N 3.13Å; D281-E283 PolarHBondContact OD1-N 2.75Å; E283-R285 VanDerWaalsContact C-N 3.35Å; E283-A286 PolarHBondContact O-N 2.98Å; E283-K287 WeakPolarHBondContact O-CG 3.31Å; E283-K287 PolarHBondContact O-N 3.47Å; E283-K287 VanDerWaalsContact O-N 3.13Å; E283-K287 WeakPolarHBondContact OE1-CE 3.5Å; E283-K287 IonicContact OE1-NZ 3.77Å; E283-K287 PolarHBondContact OE1-NZ 2.7Å; E283-R295 VanDerWaalsContact CD-NH2 3.31Å; E283-R295 IonicContact OE1-CZ 2.97Å; E283-R295 IonicContact OE1-NE 2.75Å; E283-R295 PolarHBondContact OE1-NE 2.91Å; E283-R295 IonicContact OE1-NH2 3.23Å; E283-R295 PolarHBondContact OE1-NH2 2.03Å; E283-R295 IonicContact OE2-CZ 3.67Å; E283-R295 IonicContact OE2-NH2 3.7Å; E283-R295 PolarHBondContact OE2-NH2 2.03Å; E283-R295 VanDerWaalsContact OE2-NH2 3.14Å
284	E	88.1	Confident	85	Confident	125 Å²	125	59.2 Å²	59.2	58%	0.584	34%	0.343	S	S	*	.	H	α-helix	trans	-63.8	-43	176.7	-167.2	-175.6	-161.3	0	0	110.7	D281 A286 K287 V288	D281-E284 HydrophobicContact CB-CB 4.25Å; D281-E284 WeakPolarHBondContact OD1-CB 3.23Å; D281-E284 PolarHBondContact OD1-N 3.35Å; E284-A286 VanDerWaalsContact C-N 3.34Å; E284-A286 PolarHBondContact O-N 3.33Å; E284-K287 PolarHBondContact O-N 2.78Å; E284-V288 PolarHBondContact O-N 2.95Å
285	R	90.4	Very high	84.1	Confident	62 Å²	62	59.8 Å²	59.8	23%	0.234	35%	0.345	C	S	.	.	H	α-helix	trans	-62.7	-40.2	179	-166.7	70.1	-177.6	121.4	-4.7	112.8	L143 H144 F145 D281 E283 V288 T289	L143-R285 HydrophobicContact CB-CG 4.24Å; L143-R285 HydrophobicContact CD1-CB 4.42Å; L143-R285 HydrophobicContact CD1-CG 4.37Å; L143-R285 HydrophobicContact CD2-CG 4.1Å; L143-R285 HydrophobicContact CG-CG 4.47Å; H144-R285 PolarHBondContact CD2-NH2 3.34Å; H144-R285 PolarHBondContact CE1-NH2 3.4Å; H144-R285 PolarHBondContact ND1-NH2 2.94Å; H144-R285 PolarHBondContact NE2-NH2 3.49Å; H144-R285 PolarHBondContact O-NE 3.25Å; H144-R285 PolarHBondContact O-NH2 2.89Å; F145-R285 HydrophobicContact CE1-CB 4.1Å; F145-R285 HydrophobicContact CE1-CG 4.09Å; F145-R285 HydrophobicContact CE2-CG 4.45Å; F145-R285 HydrophobicContact CZ-CB 3.89Å; F145-R285 HydrophobicContact CZ-CG 3.84Å; D281-R285 VanDerWaalsContact O-CB 3.23Å; D281-R285 WeakPolarHBondContact O-CB 3.39Å; D281-R285 PolarHBondContact O-N 3.46Å; E283-R285 VanDerWaalsContact C-N 3.35Å; R285-V288 VanDerWaalsContact O-CG2 3.26Å; R285-V288 WeakPolarHBondContact O-CG2 3.46Å; R285-T289 WeakPolarHBondContact O-CB 3.48Å; R285-T289 PolarHBondContact O-N 2.86Å; R285-T289 PolarHBondContact O-OG1 2.75Å
286	A	87.8	Confident	83.1	Confident	1 Å²	1	60.9 Å²	60.9	1%	0.008	35%	0.353	C	S	.	.	H	α-helix	trans	-66.2	-37	175.7	0	0	0	0	0	112.2	A134 L282 E283 E284 V288 T289 F292	A134-A286 HydrophobicContact CB-CB 3.93Å; L282-A286 WeakPolarHBondContact O-CB 3.48Å; L282-A286 PolarHBondContact O-N 2.98Å; E283-A286 PolarHBondContact O-N 2.98Å; E284-A286 VanDerWaalsContact C-N 3.34Å; E284-A286 PolarHBondContact O-N 3.33Å; A286-V288 VanDerWaalsContact C-N 3.3Å; A286-V288 PolarHBondContact O-N 3.31Å; A286-T289 PolarHBondContact O-N 3.1Å; A286-T289 VanDerWaalsContact O-O 3.08Å; A286-F292 HydrophobicContact CB-CB 3.87Å
287	K	84.4	Confident	81.8	Confident	128 Å²	128	61.5 Å²	61.5	56%	0.557	36%	0.361	S	S	*	.	H	α-helix	trans	-62.7	-35.7	178.8	-74.8	172.8	-173.9	160.6	0	113.3	E283 E284 S294	E283-K287 WeakPolarHBondContact O-CG 3.31Å; E283-K287 PolarHBondContact O-N 3.47Å; E283-K287 VanDerWaalsContact O-N 3.13Å; E283-K287 WeakPolarHBondContact OE1-CE 3.5Å; E283-K287 IonicContact OE1-NZ 3.77Å; E283-K287 PolarHBondContact OE1-NZ 2.7Å; E284-K287 PolarHBondContact O-N 2.78Å; K287-S294 WeakPolarHBondContact CE-OG 3.4Å
288	V	85.8	Confident	80.8	Confident	100 Å²	100	59.4 Å²	59.4	61%	0.606	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-6.2	-177.4	-58.8	0	0	0	0	113.2	E284 R285 A286	E284-V288 PolarHBondContact O-N 2.95Å; R285-V288 VanDerWaalsContact O-CG2 3.26Å; R285-V288 WeakPolarHBondContact O-CG2 3.46Å; A286-V288 VanDerWaalsContact C-N 3.3Å; A286-V288 PolarHBondContact O-N 3.31Å
289	T	82.7	Confident	79.6	Confident	34 Å²	34	57.5 Å²	57.5	21%	0.209	33%	0.325	C	S	.	.	S	Bend	trans	-110.7	116.8	-177.3	-48.7	0	0	0	0	109.6	L143 R285 A286 G291 F292	L143-T289 HydrophobicContact CD2-CG2 4.34Å; R285-T289 WeakPolarHBondContact O-CB 3.48Å; R285-T289 PolarHBondContact O-N 2.86Å; R285-T289 PolarHBondContact O-OG1 2.75Å; A286-T289 PolarHBondContact O-N 3.1Å; A286-T289 VanDerWaalsContact O-O 3.08Å; T289-G291 PolarHBondContact O-N 2.96Å; T289-F292 HydrophobicContact CG2-CD2 3.5Å; T289-F292 VanDerWaalsContact CG2-CD2 3.5Å; T289-F292 HydrophobicContact CG2-CE2 3.6Å; T289-F292 PolarHBondContact O-N 3.28Å
290	S	72.8	Confident	78.9	Confident	118 Å²	118	57.1 Å²	57.1	83%	0.825	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	136.2	179.9	55.6	0	0	0	0	111.8
291	G	71.4	Confident	77.8	Confident	62 Å²	62	61.8 Å²	61.8	64%	0.639	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.5	2.1	178.8	0	0	0	0	0	114.8	P137 T289	P137-G291 WeakPolarHBondContact CG-O 3.5Å; T289-G291 PolarHBondContact O-N 2.96Å
292	F	74.3	Confident	76.5	Confident	27 Å²	27	61.5 Å²	61.5	12%	0.118	36%	0.358	C	S	.	.			trans	-105	150	171.5	-72	-93.6	0	0	0	111.6	F136 Y142 L143 A286 T289	F136-F292 HydrophobicContact CD1-CD1 4.34Å; F136-F292 AromaticContact CD1-CE1 3.58Å; F136-F292 HydrophobicContact CD1-CE1 3.58Å; F136-F292 HydrophobicContact CE1-CD1 4.47Å; F136-F292 AromaticContact CE1-CE1 3.79Å; F136-F292 HydrophobicContact CE1-CE1 3.79Å; F136-F292 HydrophobicContact CG-CE1 4.41Å; Y142-F292 VanDerWaalsContact C-CZ 3.42Å; Y142-F292 VanDerWaalsContact O-CZ 3.3Å; Y142-F292 WeakPolarHBondContact O-CZ 2.93Å; L143-F292 HydrophobicContact CD1-CD1 4.47Å; L143-F292 HydrophobicContact CD2-CD1 3.69Å; L143-F292 HydrophobicContact CD2-CD2 3.88Å; L143-F292 HydrophobicContact CD2-CE1 3.71Å; L143-F292 HydrophobicContact CD2-CE2 3.89Å; L143-F292 HydrophobicContact CD2-CG 3.76Å; L143-F292 HydrophobicContact CD2-CZ 3.8Å; L143-F292 HydrophobicContact CG-CD1 3.98Å; L143-F292 HydrophobicContact CG-CE1 3.75Å; L143-F292 HydrophobicContact CG-CZ 4.13Å; A286-F292 HydrophobicContact CB-CB 3.87Å; T289-F292 HydrophobicContact CG2-CD2 3.5Å; T289-F292 VanDerWaalsContact CG2-CD2 3.5Å; T289-F292 HydrophobicContact CG2-CE2 3.6Å; T289-F292 PolarHBondContact O-N 3.28Å
293	I	73.9	Confident	75.4	Confident	76 Å²	76	67 Å²	67	39%	0.39	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	121.4	175	-56	169.9	0	0	0	108	S135 R295	S135-I293 PolarHBondContact N-O 3.06Å; S135-I293 VanDerWaalsContact N-O 3.09Å; I293-R295 PolarHBondContact O-N 3.21Å
294	S	67.9	Low	74.8	Confident	36 Å²	36	66.5 Å²	66.5	25%	0.252	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	125.2	171.3	71.9	0	0	0	0	108.7	K287	K287-S294 WeakPolarHBondContact CE-OG 3.4Å
295	R	75.3	Confident	74.4	Confident	101 Å²	101	66.4 Å²	66.4	38%	0.381	39%	0.39	S	S	.	.	S	Bend	trans	81.3	155.1	-169.5	-50.5	168.8	-179.5	-72.2	-25.6	114.5	A133 S135 E283 I293	A133-R295 WeakPolarHBondContact O-CA 3.46Å; A133-R295 PolarHBondContact O-N 3.17Å; S135-R295 PolarHBondContact OG-O 2.96Å; E283-R295 VanDerWaalsContact CD-NH2 3.31Å; E283-R295 IonicContact OE1-CZ 2.97Å; E283-R295 IonicContact OE1-NE 2.75Å; E283-R295 PolarHBondContact OE1-NE 2.91Å; E283-R295 IonicContact OE1-NH2 3.23Å; E283-R295 PolarHBondContact OE1-NH2 2.03Å; E283-R295 IonicContact OE2-CZ 3.67Å; E283-R295 IonicContact OE2-NH2 3.7Å; E283-R295 PolarHBondContact OE2-NH2 2.03Å; E283-R295 VanDerWaalsContact OE2-NH2 3.14Å; I293-R295 PolarHBondContact O-N 3.21Å
296	C	71.4	Confident	74.1	Confident	32 Å²	32	66.1 Å²	66.1	22%	0.216	39%	0.393	C	S	.	.			trans	-102.6	87	172.6	-174	0	0	0	0	109.7	A133 K161 W215 C269	A133-C296 HydrophobicContact CB-CB 4.38Å; K161-C296 VanDerWaalsContact CE-SG 3.59Å; W215-C296 HydrophobicContact CH2-CB 4.01Å; W215-C296 HydrophobicContact CZ2-CB 3.8Å; C269-C296 HydrophobicContact CB-CB 3.55Å; C269-C296 WeakPolarHBondContact CB-SG 3.28Å; C269-C296 WeakPolarHBondContact SG-CB 3.04Å; C269-C296 CovalentContact SG-SG 2.02Å; C269-C296 PolarHBondContact SG-SG 2.94Å
297	S	63.3	Low	74.2	Confident	69 Å²	69	66.7 Å²	66.7	48%	0.483	40%	0.396	S	S	.	.			trans	-115.1	125.3	173.2	-31.4	0	0	0	0	107.1
298	G	63.5	Low	74.4	Confident	18 Å²	18	63.4 Å²	63.4	19%	0.186	38%	0.383	C	S	.	.			trans	-63.5	148.2	176.5	0	0	0	0	0	111.6	C300 T301 E315	G298-C300 PolarHBondContact O-N 2.87Å; G298-T301 PolarHBondContact O-N 3.48Å; G298-E315 WeakPolarHBondContact CA-OE2 3.02Å
299	H	64.9	Low	74.7	Confident	51 Å²	51	61.3 Å²	61.3	24%	0.236	37%	0.368	C	S	.	.	H	α-helix	trans	-61.7	-34.2	175.4	-67.8	-85.5	0	0	0	111.2	T301 S302 Y303 E315 G319 Y320	H299-T301 VanDerWaalsContact C-N 3.25Å; H299-T301 PolarHBondContact O-N 3.47Å; H299-S302 PolarHBondContact O-N 3.09Å; H299-S302 VanDerWaalsContact O-N 3.13Å; H299-Y303 HydrophobicContact CB-CD2 4.04Å; H299-Y303 AromaticContact ND1-CD2 3.87Å; H299-Y303 AromaticContact ND1-CE2 3.77Å; H299-Y303 WeakPolarHBondContact O-CA 3.37Å; H299-Y303 WeakPolarHBondContact O-CB 3.21Å; H299-Y303 WeakPolarHBondContact O-CD2 3.38Å; H299-Y303 PolarHBondContact O-N 3.26Å; H299-E315 WeakPolarHBondContact CA-OE1 3Å; H299-E315 VanDerWaalsContact CB-OE1 3.22Å; H299-E315 WeakPolarHBondContact CB-OE1 3.35Å; H299-E315 IonicContact CD2-OE1 3.76Å; H299-E315 PolarHBondContact CD2-OE1 2.95Å; H299-E315 IonicContact CG-OE1 2.77Å; H299-E315 PolarHBondContact N-OE1 2.97Å; H299-E315 PolarHBondContact N-OE2 2.81Å; H299-G319 VanDerWaalsContact CD2-CA 3.42Å; H299-G319 WeakPolarHBondContact CD2-CA 3.42Å; H299-G319 PolarHBondContact CD2-O 3.39Å; H299-Y320 HydrophobicContact CB-CD1 4Å; H299-Y320 HydrophobicContact CB-CG 4.37Å
300	C	74.2	Confident	75	Confident	31 Å²	31	63 Å²	63	21%	0.209	39%	0.393	C	S	.	.	H	α-helix	trans	-66	-26	177.6	-76.3	0	0	0	0	113.7	G298 S302 G304 C313 E315	G298-C300 PolarHBondContact O-N 2.87Å; C300-S302 VanDerWaalsContact C-N 3.34Å; C300-G304 WeakPolarHBondContact O-CA 3.36Å; C300-G304 PolarHBondContact O-N 2.98Å; C300-C313 WeakPolarHBondContact CA-SG 3.4Å; C300-C313 HydrophobicContact CB-CB 3.84Å; C300-C313 WeakPolarHBondContact CB-SG 3.38Å; C300-C313 WeakPolarHBondContact SG-CB 3.45Å; C300-C313 CovalentContact SG-SG 2.04Å; C300-C313 PolarHBondContact SG-SG 3.44Å; C300-E315 PolarHBondContact N-OE2 3.19Å; C300-E315 PolarHBondContact SG-N 3.19Å; C300-E315 VanDerWaalsContact SG-N 3.37Å
301	T	69.6	Low	75.9	Confident	124 Å²	124	58 Å²	58	76%	0.761	36%	0.36	S	S	*	.	H	α-helix	trans	-70.8	-32.5	174.5	-49.4	0	0	0	0	112	G298 H299	G298-T301 PolarHBondContact O-N 3.48Å; H299-T301 VanDerWaalsContact C-N 3.25Å; H299-T301 PolarHBondContact O-N 3.47Å
302	S	63.3	Low	76.8	Confident	70 Å²	70	61.7 Å²	61.7	49%	0.49	36%	0.358	S	S	.	.	H	α-helix	trans	-96.9	-34.6	-175.7	-53.4	0	0	0	0	113.1	H299 C300	H299-S302 PolarHBondContact O-N 3.09Å; H299-S302 VanDerWaalsContact O-N 3.13Å; C300-S302 VanDerWaalsContact C-N 3.34Å
303	Y	69.3	Low	77.4	Confident	114 Å²	114	61.8 Å²	61.8	45%	0.447	36%	0.362	S	S	.	.	H	α-helix	trans	-122.2	1.3	-171	-53.3	-71.6	0	0	0	112.9	H299 T305 N306 Y320	H299-Y303 HydrophobicContact CB-CD2 4.04Å; H299-Y303 AromaticContact ND1-CD2 3.87Å; H299-Y303 AromaticContact ND1-CE2 3.77Å; H299-Y303 WeakPolarHBondContact O-CA 3.37Å; H299-Y303 WeakPolarHBondContact O-CB 3.21Å; H299-Y303 WeakPolarHBondContact O-CD2 3.38Å; H299-Y303 PolarHBondContact O-N 3.26Å; Y303-T305 PolarHBondContact O-N 2.7Å; Y303-T305 VanDerWaalsContact O-N 3.15Å; Y303-N306 WeakPolarHBondContact O-CB 3.42Å; Y303-N306 PolarHBondContact O-N 3.15Å; Y303-Y320 HydrophobicContact CD2-CD1 4.44Å; Y303-Y320 HydrophobicContact CD2-CE1 4.36Å; Y303-Y320 HydrophobicContact CG-CD1 4.42Å; Y303-Y320 AromaticContact CG-CE1 3.98Å; Y303-Y320 HydrophobicContact CG-CE1 3.98Å
304	G	75.5	Confident	77.8	Confident	18 Å²	18	60.6 Å²	60.6	19%	0.186	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-61.1	-24.1	178.9	0	0	0	0	0	113.4	C300 N306 C307	C300-G304 WeakPolarHBondContact O-CA 3.36Å; C300-G304 PolarHBondContact O-N 2.98Å; G304-N306 PolarHBondContact O-N 3.12Å; G304-C307 PolarHBondContact O-N 2.9Å; G304-C307 VanDerWaalsContact O-N 3.1Å
305	T	81.4	Confident	78	Confident	123 Å²	123	61.4 Å²	61.4	76%	0.755	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-63.5	-17	171.7	52.1	0	0	0	0	113.6	Y303 C307	Y303-T305 PolarHBondContact O-N 2.7Å; Y303-T305 VanDerWaalsContact O-N 3.15Å; T305-C307 VanDerWaalsContact C-N 3.28Å
306	N	83.8	Confident	77.4	Confident	55 Å²	55	62.9 Å²	62.9	29%	0.294	36%	0.362	S	S	.	.	G	3₁₀ helix	trans	-77.9	-13.7	176.1	-60.8	-8	0	0	0	112.1	Y303 G304 E308 Y320 F333	Y303-N306 WeakPolarHBondContact O-CB 3.42Å; Y303-N306 PolarHBondContact O-N 3.15Å; G304-N306 PolarHBondContact O-N 3.12Å; N306-E308 PolarHBondContact O-N 2.81Å; N306-Y320 HydrophobicContact CB-CE2 4.18Å; N306-Y320 VanDerWaalsContact CB-OH 3.26Å; N306-Y320 WeakPolarHBondContact CB-OH 3.06Å; N306-Y320 PolarHBondContact ND2-OH 3.36Å; N306-F333 HydrophobicContact CB-CD1 4.4Å; N306-F333 WeakPolarHBondContact O-CB 3.36Å
307	C	88.8	Confident	76.4	Confident	13 Å²	13	67.6 Å²	67.6	9%	0.088	38%	0.376	C	S	.	.	S	Bend	trans	-77.3	101.2	168.8	-60.7	0	0	0	0	108.9	G304 T305 G311 C322	G304-C307 PolarHBondContact O-N 2.9Å; G304-C307 VanDerWaalsContact O-N 3.1Å; T305-C307 VanDerWaalsContact C-N 3.28Å; C307-G311 WeakPolarHBondContact CB-O 3.33Å; C307-C322 WeakPolarHBondContact CA-SG 3.41Å; C307-C322 HydrophobicContact CB-CB 3.73Å; C307-C322 WeakPolarHBondContact CB-SG 3.39Å; C307-C322 VanDerWaalsContact SG-CA 3.53Å; C307-C322 WeakPolarHBondContact SG-CB 3.42Å; C307-C322 CovalentContact SG-SG 2.03Å; C307-C322 PolarHBondContact SG-SG 2.8Å
308	E	89.8	Confident	75.8	Confident	59 Å²	59	69.3 Å²	69.3	28%	0.276	38%	0.376	S	S	.	.			trans	-79.5	171.2	-175.7	-63.2	-173.3	-169.9	0	0	111.8	N306 G310 G311 F333 C334	N306-E308 PolarHBondContact O-N 2.81Å; E308-G310 PolarHBondContact O-N 3.41Å; E308-G311 PolarHBondContact O-N 2.79Å; E308-F333 PolarHBondContact N-O 3.09Å; E308-C334 WeakPolarHBondContact O-CB 3.36Å
309	N	91.6	Very high	75.8	Confident	56 Å²	56	69 Å²	69	30%	0.299	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.9	31.2	167.5	-58.6	-51.7	0	0	0	116	G311 Y329 C334	N309-G311 VanDerWaalsContact C-N 3.34Å; N309-Y329 HydrophobicContact CB-CD1 4.25Å; N309-Y329 HydrophobicContact CB-CD2 3.36Å; N309-Y329 HydrophobicContact CB-CE1 4.27Å; N309-Y329 HydrophobicContact CB-CE2 3.43Å; N309-Y329 VanDerWaalsContact CB-CE2 3.43Å; N309-Y329 HydrophobicContact CB-CG 3.81Å; N309-C334 PolarHBondContact ND2-O 3.1Å
310	G	88.9	Confident	76.4	Confident	71 Å²	71	69 Å²	69	73%	0.732	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.1	12.9	-179.8	0	0	0	0	0	114.3	E308	E308-G310 PolarHBondContact O-N 3.41Å
311	G	91.3	Very high	76.8	Confident	12 Å²	12	69.1 Å²	69.1	12%	0.124	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-59.9	137.9	171.7	0	0	0	0	0	111.9	C307 E308 N309 D323	C307-G311 WeakPolarHBondContact CB-O 3.33Å; E308-G311 PolarHBondContact O-N 2.79Å; N309-G311 VanDerWaalsContact C-N 3.34Å; G311-D323 WeakPolarHBondContact CA-O 3.17Å
312	K	90.9	Very high	77.7	Confident	139 Å²	139	64 Å²	64	60%	0.604	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.8	120.6	179.5	-177.1	-179.3	178.8	-176.8	0	109.7	L314 D323	K312-L314 HydrophobicContact CD-CD2 4.15Å; K312-L314 HydrophobicContact CG-CD2 4.19Å; K312-L314 PolarHBondContact O-N 2.97Å; K312-D323 HydrophobicContact CB-CB 4.29Å; K312-D323 PolarHBondContact N-O 3.37Å; K312-D323 PolarHBondContact O-N 2.84Å
313	C	86.6	Confident	79.1	Confident	30 Å²	30	62.9 Å²	62.9	20%	0.203	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	124.4	172.4	-169.5	0	0	0	0	110.4	C300	C300-C313 WeakPolarHBondContact CA-SG 3.4Å; C300-C313 HydrophobicContact CB-CB 3.84Å; C300-C313 WeakPolarHBondContact CB-SG 3.38Å; C300-C313 WeakPolarHBondContact SG-CB 3.45Å; C300-C313 CovalentContact SG-SG 2.04Å; C300-C313 PolarHBondContact SG-SG 3.44Å
314	L	81.9	Confident	80.2	Confident	50 Å²	50	58 Å²	58	26%	0.262	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	119	173.1	-56.5	-175.7	0	0	0	108.6	K312 Y320 S321 D323	K312-L314 HydrophobicContact CD-CD2 4.15Å; K312-L314 HydrophobicContact CG-CD2 4.19Å; K312-L314 PolarHBondContact O-N 2.97Å; L314-Y320 WeakPolarHBondContact O-CA 3.4Å; L314-S321 PolarHBondContact N-O 3.03Å; L314-S321 PolarHBondContact O-N 3.16Å; L314-D323 HydrophobicContact CD1-CB 3.73Å; L314-D323 HydrophobicContact CD2-CB 4.39Å; L314-D323 HydrophobicContact CG-CB 3.91Å
315	E	72.3	Confident	80.9	Confident	53 Å²	53	61.1 Å²	61.1	25%	0.248	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	135.4	175.2	-166.5	66.9	-114.2	0	0	109.3	G298 H299 C300	G298-E315 WeakPolarHBondContact CA-OE2 3.02Å; H299-E315 WeakPolarHBondContact CA-OE1 3Å; H299-E315 VanDerWaalsContact CB-OE1 3.22Å; H299-E315 WeakPolarHBondContact CB-OE1 3.35Å; H299-E315 IonicContact CD2-OE1 3.76Å; H299-E315 PolarHBondContact CD2-OE1 2.95Å; H299-E315 IonicContact CG-OE1 2.77Å; H299-E315 PolarHBondContact N-OE1 2.97Å; H299-E315 PolarHBondContact N-OE2 2.81Å; C300-E315 PolarHBondContact N-OE2 3.19Å; C300-E315 PolarHBondContact SG-N 3.19Å; C300-E315 VanDerWaalsContact SG-N 3.37Å
316	R	62.4	Low	81.2	Confident	133 Å²	133	60.2 Å²	60.2	50%	0.502	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	157.2	176	-60.8	-66.5	-173.3	173.4	0.3	108.5	H318 G319 S321	R316-H318 VanDerWaalsContact C-N 3.29Å; R316-H318 PolarHBondContact O-N 2.91Å; R316-G319 CarbonylContact C-O 3.6Å; R316-G319 WeakPolarHBondContact CA-O 3.39Å; R316-G319 PolarHBondContact N-O 2.97Å; R316-G319 PolarHBondContact O-N 3.49Å; R316-S321 PolarHBondContact NE-OG 3.49Å
317	Y	51.4	Low	81.7	Confident	130 Å²	130	57.8 Å²	57.8	51%	0.51	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-31.8	-176.1	78.2	-87.5	0	0	0	113.5	L267	L267-Y317 HydrophobicContact CD1-CD2 3.32Å; L267-Y317 HydrophobicContact CD1-CE2 3.84Å; L267-Y317 HydrophobicContact CD1-CG 4.21Å; L267-Y317 HydrophobicContact CD2-CD2 4.01Å; L267-Y317 HydrophobicContact CD2-CG 4.38Å; L267-Y317 HydrophobicContact CG-CD2 4.27Å
318	H	50.1	Low	81.9	Confident	105 Å²	105	57.3 Å²	57.3	49%	0.486	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.6	23.5	174.7	-79.5	-33.5	0	0	0	112.7	P137 R316	P137-H318 PolarHBondContact O-CE1 2.72Å; P137-H318 PolarHBondContact O-ND1 2.97Å; R316-H318 VanDerWaalsContact C-N 3.29Å; R316-H318 PolarHBondContact O-N 2.91Å
319	G	64.3	Low	82.1	Confident	11 Å²	11	55.2 Å²	55.2	11%	0.113	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	149.6	-138.9	-179.8	0	0	0	0	0	113.8	H299 R316	H299-G319 VanDerWaalsContact CD2-CA 3.42Å; H299-G319 WeakPolarHBondContact CD2-CA 3.42Å; H299-G319 PolarHBondContact CD2-O 3.39Å; R316-G319 CarbonylContact C-O 3.6Å; R316-G319 WeakPolarHBondContact CA-O 3.39Å; R316-G319 PolarHBondContact N-O 2.97Å; R316-G319 PolarHBondContact O-N 3.49Å
320	Y	76.3	Confident	82.1	Confident	52 Å²	52	54 Å²	54	20%	0.204	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	160.6	174.2	69.9	-76.2	0	0	0	110	H299 Y303 N306 L314 F333	H299-Y320 HydrophobicContact CB-CD1 4Å; H299-Y320 HydrophobicContact CB-CG 4.37Å; Y303-Y320 HydrophobicContact CD2-CD1 4.44Å; Y303-Y320 HydrophobicContact CD2-CE1 4.36Å; Y303-Y320 HydrophobicContact CG-CD1 4.42Å; Y303-Y320 AromaticContact CG-CE1 3.98Å; Y303-Y320 HydrophobicContact CG-CE1 3.98Å; N306-Y320 HydrophobicContact CB-CE2 4.18Å; N306-Y320 VanDerWaalsContact CB-OH 3.26Å; N306-Y320 WeakPolarHBondContact CB-OH 3.06Å; N306-Y320 PolarHBondContact ND2-OH 3.36Å; L314-Y320 WeakPolarHBondContact O-CA 3.4Å; Y320-F333 HydrophobicContact CE2-CD1 4.19Å; Y320-F333 AromaticContact CE2-CE1 3.88Å; Y320-F333 HydrophobicContact CE2-CE1 3.88Å; Y320-F333 AromaticContact CZ-CE1 3.75Å; Y320-F333 WeakPolarHBondContact OH-CE1 3.41Å
321	S	83	Confident	82	Confident	34 Å²	34	52.4 Å²	52.4	24%	0.238	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	150.3	170.9	58.3	0	0	0	0	109.4	L314 R316	L314-S321 PolarHBondContact N-O 3.03Å; L314-S321 PolarHBondContact O-N 3.16Å; R316-S321 PolarHBondContact NE-OG 3.49Å
322	C	88.5	Confident	81.7	Confident	17 Å²	17	56.6 Å²	56.6	12%	0.115	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	125.1	174.9	-56.1	0	0	0	0	110.2	C307 C324 T332 C334	C307-C322 WeakPolarHBondContact CA-SG 3.41Å; C307-C322 HydrophobicContact CB-CB 3.73Å; C307-C322 WeakPolarHBondContact CB-SG 3.39Å; C307-C322 VanDerWaalsContact SG-CA 3.53Å; C307-C322 WeakPolarHBondContact SG-CB 3.42Å; C307-C322 CovalentContact SG-SG 2.03Å; C307-C322 PolarHBondContact SG-SG 2.8Å; C322-C324 PolarHBondContact O-N 2.77Å; C322-T332 WeakPolarHBondContact CB-O 3.03Å; C322-C334 VanDerWaalsContact CB-SG 3.58Å
323	D	92.4	Very high	81.6	Confident	46 Å²	46	53.4 Å²	53.4	25%	0.246	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	108.9	168.9	176.4	15.2	0	0	0	109.7	G311 K312 L314 S325	G311-D323 WeakPolarHBondContact CA-O 3.17Å; K312-D323 HydrophobicContact CB-CB 4.29Å; K312-D323 PolarHBondContact N-O 3.37Å; K312-D323 PolarHBondContact O-N 2.84Å; L314-D323 HydrophobicContact CD1-CB 3.73Å; L314-D323 HydrophobicContact CD2-CB 4.39Å; L314-D323 HydrophobicContact CG-CB 3.91Å; D323-S325 WeakPolarHBondContact OD1-CB 3.22Å; D323-S325 PolarHBondContact OD1-N 3.37Å; D323-S325 PolarHBondContact OD1-OG 3.32Å
324	C	93.3	Very high	81.9	Confident	12 Å²	12	52 Å²	52	8%	0.081	27%	0.273	C	S	.	.			trans	-98.3	6.4	-179.8	-41.9	0	0	0	0	112.6	C322 N326 T327 Y329 G331 C334 K524	C322-C324 PolarHBondContact O-N 2.77Å; C324-N326 VanDerWaalsContact C-N 3.29Å; C324-N326 PolarHBondContact O-N 2.9Å; C324-T327 PolarHBondContact O-N 3.02Å; C324-T327 VanDerWaalsContact O-N 3.09Å; C324-T327 PolarHBondContact O-OG1 3.18Å; C324-Y329 VanDerWaalsContact CB-O 3.29Å; C324-Y329 WeakPolarHBondContact CB-O 3.5Å; C324-G331 PolarHBondContact SG-O 3.03Å; C324-G331 VanDerWaalsContact SG-O 3.39Å; C324-C334 WeakPolarHBondContact CA-SG 3.42Å; C324-C334 HydrophobicContact CB-CB 3.81Å; C324-C334 WeakPolarHBondContact CB-SG 3.35Å; C324-C334 WeakPolarHBondContact SG-CA 3.48Å; C324-C334 WeakPolarHBondContact SG-CB 3.46Å; C324-C334 PolarHBondContact SG-N 2.03Å; C324-C334 VanDerWaalsContact SG-N 3.42Å; C324-C334 CovalentContact SG-SG 2.03Å; C324-C334 PolarHBondContact SG-SG 2.86Å; C324-K524 PolarHBondContact O-NZ 3.41Å
325	S	90	Very high	82.3	Confident	83 Å²	83	52.3 Å²	52.3	58%	0.58	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-37.5	-169.6	-54.1	0	0	0	0	113.1	D323 T327	D323-S325 WeakPolarHBondContact OD1-CB 3.22Å; D323-S325 PolarHBondContact OD1-N 3.37Å; D323-S325 PolarHBondContact OD1-OG 3.32Å; S325-T327 VanDerWaalsContact C-N 3.32Å; S325-T327 PolarHBondContact O-N 3.15Å
326	N	88.3	Confident	83.2	Confident	104 Å²	104	55.1 Å²	55.1	56%	0.556	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	27.3	179.3	-62	-36.5	0	0	0	113.1	C324	C324-N326 VanDerWaalsContact C-N 3.29Å; C324-N326 PolarHBondContact O-N 2.9Å
327	T	93.3	Very high	84.5	Confident	4 Å²	4	49.8 Å²	49.8	3%	0.025	27%	0.267	C	S	.	.	S	Bend	trans	-128.2	160	179.8	77.1	0	0	0	0	109.9	C324 S325 Y329 K524	C324-T327 PolarHBondContact O-N 3.02Å; C324-T327 VanDerWaalsContact O-N 3.09Å; C324-T327 PolarHBondContact O-OG1 3.18Å; S325-T327 VanDerWaalsContact C-N 3.32Å; S325-T327 PolarHBondContact O-N 3.15Å; T327-Y329 PolarHBondContact O-N 3.25Å; T327-Y329 PolarHBondContact OG1-N 2.88Å; T327-Y329 PolarHBondContact OG1-O 3.13Å; T327-K524 WeakPolarHBondContact O-CD 3.29Å
328	A	94.1	Very high	86.6	Confident	2 Å²	2	43.6 Å²	43.6	2%	0.017	24%	0.243	C	C	.	.	S	Bend	trans	-78.8	17.1	171.8	0	0	0	0	0	114.4	V338 Q516 A521	A328-V338 WeakPolarHBondContact O-CB 3.35Å; A328-V338 PolarHBondContact O-N 3.3Å; A328-Q516 HydrophobicContact CB-CB 4.1Å; A328-A521 HydrophobicContact CB-CB 4.08Å
329	Y	93.8	Very high	88.7	Confident	16 Å²	16	38.6 Å²	38.6	6%	0.063	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	153.7	-172.3	-54.1	-96.9	0	0	0	111.3	N309 C324 T327 C334 K336 D337 R514 K524	N309-Y329 HydrophobicContact CB-CD1 4.25Å; N309-Y329 HydrophobicContact CB-CD2 3.36Å; N309-Y329 HydrophobicContact CB-CE1 4.27Å; N309-Y329 HydrophobicContact CB-CE2 3.43Å; N309-Y329 VanDerWaalsContact CB-CE2 3.43Å; N309-Y329 HydrophobicContact CB-CG 3.81Å; C324-Y329 VanDerWaalsContact CB-O 3.29Å; C324-Y329 WeakPolarHBondContact CB-O 3.5Å; T327-Y329 PolarHBondContact O-N 3.25Å; T327-Y329 PolarHBondContact OG1-N 2.88Å; T327-Y329 PolarHBondContact OG1-O 3.13Å; Y329-C334 VanDerWaalsContact CB-O 3.29Å; Y329-C334 WeakPolarHBondContact CB-O 3.27Å; Y329-K336 CarbonylContact C-O 3.5Å; Y329-K336 VanDerWaalsContact CA-O 3.25Å; Y329-K336 WeakPolarHBondContact CA-O 3.4Å; Y329-D337 WeakPolarHBondContact CD1-OD1 3.5Å; Y329-D337 WeakPolarHBondContact CE1-OD1 3.32Å; Y329-R514 HydrophobicContact CE1-CB 4.45Å; Y329-R514 HydrophobicContact CE1-CG 3.68Å; Y329-R514 WeakPolarHBondContact OH-CD 3.34Å; Y329-K524 PolarHBondContact O-NZ 2.78Å
330	D	91.6	Very high	90.1	Very high	29 Å²	29	38.1 Å²	38.1	16%	0.155	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	-170.8	171.8	-80.9	-22	0	0	0	110	C334 N335 K336 V338 K524 R528	D330-C334 CarbonylContact O-C 3.57Å; D330-C334 VanDerWaalsContact O-CA 3.27Å; D330-C334 WeakPolarHBondContact O-CA 3.12Å; D330-N335 PolarHBondContact O-N 3.45Å; D330-K336 HydrophobicContact CB-CB 4.28Å; D330-K336 HydrophobicContact CB-CD 4.42Å; D330-K336 PolarHBondContact N-O 3.43Å; D330-K336 WeakPolarHBondContact O-CB 2.96Å; D330-K336 PolarHBondContact O-N 3.16Å; D330-V338 HydrophobicContact CB-CG2 4.2Å; D330-K524 WeakPolarHBondContact OD1-CE 3.09Å; D330-K524 IonicContact OD1-NZ 3.65Å; D330-K524 PolarHBondContact OD1-NZ 2.95Å; D330-R528 IonicContact OD2-CZ 2.81Å; D330-R528 VanDerWaalsContact OD2-CZ 3.23Å; D330-R528 IonicContact OD2-NE 3.16Å; D330-R528 PolarHBondContact OD2-NE 2.89Å; D330-R528 IonicContact OD2-NH2 3.58Å; D330-R528 PolarHBondContact OD2-NH2 3Å
331	G	86.9	Confident	91	Very high	38 Å²	38	39.8 Å²	39.8	39%	0.392	22%	0.224	S	C	.	.	S	Bend	trans	94.5	166.3	179.9	0	0	0	0	0	112.4	C324 F333 C334	C324-G331 PolarHBondContact SG-O 3.03Å; C324-G331 VanDerWaalsContact SG-O 3.39Å; G331-F333 PolarHBondContact O-N 2.83Å; G331-C334 PolarHBondContact O-N 3.01Å
332	T	84.9	Confident	91.5	Very high	101 Å²	101	38.2 Å²	38.2	62%	0.62	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-26.2	-176.5	52.4	0	0	0	0	113.1	C322	C322-T332 WeakPolarHBondContact CB-O 3.03Å
333	F	88.8	Confident	91.8	Very high	71 Å²	71	42.9 Å²	42.9	31%	0.311	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121	15.7	-177	-59.5	-56	0	0	0	112.9	N306 E308 Y320 G331 N335	N306-F333 HydrophobicContact CB-CD1 4.4Å; N306-F333 WeakPolarHBondContact O-CB 3.36Å; E308-F333 PolarHBondContact N-O 3.09Å; Y320-F333 HydrophobicContact CE2-CD1 4.19Å; Y320-F333 AromaticContact CE2-CE1 3.88Å; Y320-F333 HydrophobicContact CE2-CE1 3.88Å; Y320-F333 AromaticContact CZ-CE1 3.75Å; Y320-F333 WeakPolarHBondContact OH-CE1 3.41Å; G331-F333 PolarHBondContact O-N 2.83Å; F333-N335 VanDerWaalsContact C-N 3.3Å; F333-N335 PolarHBondContact O-N 3.2Å
334	C	92.7	Very high	91.7	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.246	C	C	.	.	S	Bend	trans	58.2	39.2	-176	-45	0	0	0	0	113.5	E308 N309 C322 C324 Y329 D330 G331	E308-C334 WeakPolarHBondContact O-CB 3.36Å; N309-C334 PolarHBondContact ND2-O 3.1Å; C322-C334 VanDerWaalsContact CB-SG 3.58Å; C324-C334 WeakPolarHBondContact CA-SG 3.42Å; C324-C334 HydrophobicContact CB-CB 3.81Å; C324-C334 WeakPolarHBondContact CB-SG 3.35Å; C324-C334 WeakPolarHBondContact SG-CA 3.48Å; C324-C334 WeakPolarHBondContact SG-CB 3.46Å; C324-C334 PolarHBondContact SG-N 2.03Å; C324-C334 VanDerWaalsContact SG-N 3.42Å; C324-C334 CovalentContact SG-SG 2.03Å; C324-C334 PolarHBondContact SG-SG 2.86Å; Y329-C334 VanDerWaalsContact CB-O 3.29Å; Y329-C334 WeakPolarHBondContact CB-O 3.27Å; D330-C334 CarbonylContact O-C 3.57Å; D330-C334 VanDerWaalsContact O-CA 3.27Å; D330-C334 WeakPolarHBondContact O-CA 3.12Å; G331-C334 PolarHBondContact O-N 3.01Å
335	N	89.9	Confident	91.6	Very high	58 Å²	58	47 Å²	47	31%	0.31	26%	0.258	S	S	.	.			trans	-113.2	-0.5	-174.5	67.9	-19.1	0	0	0	114.1	D330 F333	D330-N335 PolarHBondContact O-N 3.45Å; F333-N335 VanDerWaalsContact C-N 3.3Å; F333-N335 PolarHBondContact O-N 3.2Å
336	K	90.1	Very high	91.8	Very high	112 Å²	112	44.1 Å²	44.1	49%	0.487	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	119.2	175.8	-174.9	-174.5	174.8	-169.4	0	109.2	Y329 D330	Y329-K336 CarbonylContact C-O 3.5Å; Y329-K336 VanDerWaalsContact CA-O 3.25Å; Y329-K336 WeakPolarHBondContact CA-O 3.4Å; D330-K336 HydrophobicContact CB-CB 4.28Å; D330-K336 HydrophobicContact CB-CD 4.42Å; D330-K336 PolarHBondContact N-O 3.43Å; D330-K336 WeakPolarHBondContact O-CB 2.96Å; D330-K336 PolarHBondContact O-N 3.16Å
337	D	91.6	Very high	92.1	Very high	20 Å²	20	41 Å²	41	11%	0.107	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	138.4	177.4	-61.6	-22.5	0	0	0	111.8	Y329 R514 A549	Y329-D337 WeakPolarHBondContact CD1-OD1 3.5Å; Y329-D337 WeakPolarHBondContact CE1-OD1 3.32Å; D337-R514 HydrophobicContact CB-CG 4.18Å; D337-R514 VanDerWaalsContact CG-NH2 3.35Å; D337-R514 IonicContact OD1-CZ 3.98Å; D337-R514 IonicContact OD1-NE 3.61Å; D337-R514 PolarHBondContact OD1-NE 3.33Å; D337-R514 IonicContact OD1-NH2 3.94Å; D337-R514 PolarHBondContact OD1-NH2 3.17Å; D337-R514 IonicContact OD2-CZ 2.91Å; D337-R514 IonicContact OD2-NE 2.76Å; D337-R514 PolarHBondContact OD2-NE 2.87Å; D337-R514 IonicContact OD2-NH2 3.49Å; D337-R514 PolarHBondContact OD2-NH2 3.36Å; D337-A549 WeakPolarHBondContact OD2-CB 3.37Å
338	V	93.9	Very high	92.2	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.006	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-96	121.2	164.6	-175.7	0	0	0	0	108.4	A328 D330 S513 R514 K524 L527	A328-V338 WeakPolarHBondContact O-CB 3.35Å; A328-V338 PolarHBondContact O-N 3.3Å; D330-V338 HydrophobicContact CB-CG2 4.2Å; V338-S513 WeakPolarHBondContact O-CA 3.36Å; V338-R514 PolarHBondContact O-N 3.38Å; V338-K524 HydrophobicContact CB-CB 4.43Å; V338-K524 HydrophobicContact CG1-CB 4.09Å; V338-K524 HydrophobicContact CG1-CG 4.48Å; V338-K524 HydrophobicContact CG2-CB 4.47Å; V338-K524 HydrophobicContact CG2-CD 4.32Å; V338-K524 HydrophobicContact CG2-CG 4.28Å; V338-L527 HydrophobicContact CG1-CD1 3.75Å
339	G	94.5	Very high	92.3	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	162.9	-179	0	0	0	0	0	112.6	L512 E544 S545	G339-L512 CarbonylContact C-O 3.54Å; G339-L512 WeakPolarHBondContact CA-O 3.42Å; G339-E544 WeakPolarHBondContact O-CA 3.4Å; G339-S545 CarbonylContact C-O 3.56Å; G339-S545 VanDerWaalsContact C-O 3.23Å; G339-S545 WeakPolarHBondContact CA-O 3.41Å; G339-S545 PolarHBondContact O-N 3.45Å
340	A	94.7	Very high	92.4	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	149.3	-179.4	0	0	0	0	0	111.5	F342 C511 L512 L523 L527 L542 V543	A340-F342 HydrophobicContact CB-CE2 4.26Å; A340-C511 PolarHBondContact O-SG 3.31Å; A340-L512 PolarHBondContact N-O 2.78Å; A340-L512 PolarHBondContact O-N 3.29Å; A340-L523 HydrophobicContact CB-CD2 4.14Å; A340-L523 HydrophobicContact CB-CG 4.24Å; A340-L527 HydrophobicContact CB-CD1 4.38Å; A340-L542 HydrophobicContact CB-CD1 3.54Å; A340-L542 HydrophobicContact CB-CD2 4.19Å; A340-L542 HydrophobicContact CB-CG 3.76Å; A340-V543 VanDerWaalsContact CA-O 3.28Å; A340-V543 WeakPolarHBondContact CA-O 3.4Å
341	F	94.3	Very high	92.5	Very high	88 Å²	88	43 Å²	43	39%	0.386	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	139.6	173.3	-170.8	-99.7	0	0	0	110.8	E343 G510 C511 V543	F341-E343 HydrophobicContact CD1-CG 4.15Å; F341-E343 HydrophobicContact CE1-CG 3.89Å; F341-G510 WeakPolarHBondContact CD2-O 3.47Å; F341-C511 HydrophobicContact CD2-CB 4.37Å; F341-V543 PolarHBondContact N-O 3.2Å; F341-V543 VanDerWaalsContact N-O 3.1Å
342	F	94.8	Very high	92.6	Very high	1 Å²	1	42.2 Å²	42.2	0%	0.004	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	124.4	178.1	-73.7	-104.4	0	0	0	109.5	A340 M346 L348 L487 F508 T509 G510 L512 L523 L542	A340-F342 HydrophobicContact CB-CE2 4.26Å; F342-M346 HydrophobicContact CD1-CB 4.22Å; F342-L348 HydrophobicContact CE1-CB 4.17Å; F342-L348 HydrophobicContact CZ-CB 4.3Å; F342-L487 HydrophobicContact CE1-CB 4.09Å; F342-L487 HydrophobicContact CZ-CB 3.9Å; F342-L487 HydrophobicContact CZ-CD1 4.47Å; F342-F508 HydrophobicContact CB-CD1 3.81Å; F342-F508 HydrophobicContact CB-CE1 4.03Å; F342-F508 HydrophobicContact CD2-CD1 4.39Å; F342-F508 HydrophobicContact CD2-CE1 4.2Å; F342-F508 HydrophobicContact CG-CD1 4.11Å; F342-F508 HydrophobicContact CG-CE1 4.31Å; F342-T509 VanDerWaalsContact O-CA 3.32Å; F342-T509 WeakPolarHBondContact O-CA 3.32Å; F342-G510 PolarHBondContact N-O 2.96Å; F342-G510 PolarHBondContact O-N 3.17Å; F342-L512 HydrophobicContact CD2-CB 4.35Å; F342-L512 HydrophobicContact CD2-CD1 4.05Å; F342-L512 HydrophobicContact CD2-CG 4.41Å; F342-L512 HydrophobicContact CE2-CB 4.01Å; F342-L512 HydrophobicContact CE2-CD1 3.78Å; F342-L512 HydrophobicContact CE2-CG 4.31Å; F342-L512 HydrophobicContact CZ-CD1 4.18Å; F342-L523 HydrophobicContact CE2-CD2 4.03Å; F342-L523 HydrophobicContact CZ-CD2 3.93Å; F342-L542 HydrophobicContact CE1-CD1 4.28Å; F342-L542 HydrophobicContact CE2-CD1 4.09Å; F342-L542 HydrophobicContact CZ-CD1 3.9Å
343	E	93.2	Very high	92.5	Very high	114 Å²	114	41.6 Å²	41.6	53%	0.533	20%	0.198	S	C	.	.			trans	-88.5	168	169.4	-58.3	-172.9	152.3	0	0	111.5	F341 G345 M346	F341-E343 HydrophobicContact CD1-CG 4.15Å; F341-E343 HydrophobicContact CE1-CG 3.89Å; E343-G345 PolarHBondContact O-N 2.81Å; E343-M346 HydrophobicContact CB-CE 3.71Å; E343-M346 HydrophobicContact CB-CG 4.06Å; E343-M346 HydrophobicContact CB-SD 3.8Å; E343-M346 HydrophobicContact CG-CE 3.68Å; E343-M346 HydrophobicContact CG-SD 4.08Å; E343-M346 PolarHBondContact N-SD 2.99Å; E343-M346 WeakPolarHBondContact O-CB 3.21Å; E343-M346 PolarHBondContact O-N 3.27Å; E343-M346 VanDerWaalsContact O-N 3.15Å; E343-M346 WeakPolarHBondContact OE2-CE 3.31Å
344	E	91.6	Very high	91.1	Very high	115 Å²	115	40.7 Å²	40.7	54%	0.537	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55	129.8	176.5	-70.4	-177.4	-176.5	0	0	111.2	M346 K392 P506 T509	E344-M346 VanDerWaalsContact C-N 3.29Å; E344-M346 PolarHBondContact O-N 3.45Å; E344-K392 IonicContact OE1-NZ 3.85Å; E344-P506 HydrophobicContact CB-CB 4.39Å; E344-P506 HydrophobicContact CG-CB 4.3Å; E344-P506 HydrophobicContact CG-CG 4.41Å; E344-T509 HydrophobicContact CG-CG2 4.31Å; E344-T509 WeakPolarHBondContact CG-OG1 3.39Å; E344-T509 PolarHBondContact N-OG1 3.02Å
345	G	90.9	Very high	89.3	Confident	31 Å²	31	44.3 Å²	44.3	32%	0.32	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	82	-9.4	179.7	0	0	0	0	0	116.2	E343 P506	E343-G345 PolarHBondContact O-N 2.81Å; G345-P506 PolarHBondContact N-O 2.99Å
346	M	94.2	Very high	87.4	Confident	21 Å²	21	45.7 Å²	45.7	10%	0.103	25%	0.246	C	C	.	.			trans	-67.8	148.2	174.7	-68	-171.5	172.6	0	0	111.6	F342 E343 E344 K489 Q539 E541	F342-M346 HydrophobicContact CD1-CB 4.22Å; E343-M346 HydrophobicContact CB-CE 3.71Å; E343-M346 HydrophobicContact CB-CG 4.06Å; E343-M346 HydrophobicContact CB-SD 3.8Å; E343-M346 HydrophobicContact CG-CE 3.68Å; E343-M346 HydrophobicContact CG-SD 4.08Å; E343-M346 PolarHBondContact N-SD 2.99Å; E343-M346 WeakPolarHBondContact O-CB 3.21Å; E343-M346 PolarHBondContact O-N 3.27Å; E343-M346 VanDerWaalsContact O-N 3.15Å; E343-M346 WeakPolarHBondContact OE2-CE 3.31Å; E344-M346 VanDerWaalsContact C-N 3.29Å; E344-M346 PolarHBondContact O-N 3.45Å; M346-K489 PolarHBondContact O-N 3.37Å; M346-Q539 WeakPolarHBondContact CA-O 3.41Å; M346-E541 WeakPolarHBondContact CE-O 3.35Å
347	W	94.6	Very high	85	Confident	38 Å²	38	46.5 Å²	46.5	14%	0.144	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	149.2	171.8	60	-94.8	0	0	0	112.5	R349 L487 K489 I491 H537 I538 Q539	W347-R349 HydrophobicContact CE3-CB 3.83Å; W347-R349 HydrophobicContact CZ3-CB 3.59Å; W347-L487 WeakPolarHBondContact CA-O 3.36Å; W347-K489 HydrophobicContact CB-CB 4.1Å; W347-K489 WeakPolarHBondContact CB-O 3.28Å; W347-I491 HydrophobicContact CD2-CD1 3.62Å; W347-I491 HydrophobicContact CD2-CG1 3.66Å; W347-I491 HydrophobicContact CE3-CD1 3.79Å; W347-I491 HydrophobicContact CE3-CG1 3.95Å; W347-I491 HydrophobicContact CG-CD1 4.46Å; W347-I491 HydrophobicContact CG-CG1 4.08Å; W347-I491 HydrophobicContact CG-CG2 4.4Å; W347-I491 HydrophobicContact CH2-CD1 3.48Å; W347-I491 VanDerWaalsContact CH2-CD1 3.48Å; W347-I491 HydrophobicContact CZ2-CD1 3.24Å; W347-I491 HydrophobicContact CZ2-CG1 4.21Å; W347-I491 HydrophobicContact CZ3-CD1 3.73Å; W347-I491 HydrophobicContact CZ3-CG1 4.37Å; W347-H537 HydrophobicContact CH2-CB 4.04Å; W347-H537 HydrophobicContact CZ3-CB 3.82Å; W347-H537 VanDerWaalsContact CZ3-O 3.3Å; W347-H537 WeakPolarHBondContact CZ3-O 3.12Å; W347-I538 WeakPolarHBondContact O-CA 3.19Å; W347-Q539 HydrophobicContact CD2-CB 3.89Å; W347-Q539 HydrophobicContact CG-CB 4.03Å; W347-Q539 HydrophobicContact CZ2-CB 3.65Å; W347-Q539 PolarHBondContact N-O 2.94Å; W347-Q539 PolarHBondContact O-N 3.44Å
348	L	95.8	Very high	82.5	Confident	0 Å²	0	53 Å²	53	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	128.2	169.2	-179.6	160.9	0	0	0	107.9	F342 F486 L487 P522 L523 A526 V536 H537 I538 L542	F342-L348 HydrophobicContact CE1-CB 4.17Å; F342-L348 HydrophobicContact CZ-CB 4.3Å; L348-F486 CarbonylContact O-C 3.59Å; L348-F486 WeakPolarHBondContact O-CA 3.36Å; L348-L487 HydrophobicContact CB-CB 4.34Å; L348-L487 HydrophobicContact CD2-CD1 4.15Å; L348-L487 HydrophobicContact CD2-CG 4.49Å; L348-L487 PolarHBondContact N-O 2.95Å; L348-L487 PolarHBondContact O-N 2.97Å; L348-P522 HydrophobicContact CD2-CB 3.92Å; L348-L523 HydrophobicContact CD1-CD2 3.78Å; L348-A526 HydrophobicContact CD1-CB 3.68Å; L348-V536 HydrophobicContact CD1-CG1 4.28Å; L348-V536 HydrophobicContact CD2-CG1 4.27Å; L348-V536 HydrophobicContact CG-CG1 4Å; L348-H537 WeakPolarHBondContact CA-O 3.38Å; L348-I538 HydrophobicContact CD1-CG1 4.5Å; L348-I538 HydrophobicContact CG-CG1 4.3Å; L348-L542 HydrophobicContact CD1-CD2 4.04Å
349	R	95.5	Very high	79.9	Confident	51 Å²	51	57.5 Å²	57.5	19%	0.192	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	126.3	174.7	-180	-174.4	177.7	-174.5	-9.6	109.3	W347 N351 S484 L485 F486 V536 H537	W347-R349 HydrophobicContact CE3-CB 3.83Å; W347-R349 HydrophobicContact CZ3-CB 3.59Å; R349-N351 PolarHBondContact NE-OD1 2.98Å; R349-N351 PolarHBondContact NH2-OD1 2.93Å; R349-S484 PolarHBondContact NE-OG 3.37Å; R349-S484 PolarHBondContact NH2-OG 2.94Å; R349-S484 VanDerWaalsContact NH2-OG 3.17Å; R349-L485 CarbonylContact C-O 3.57Å; R349-L485 WeakPolarHBondContact CA-O 3.34Å; R349-F486 HydrophobicContact CB-CD1 3.94Å; R349-F486 HydrophobicContact CB-CE1 3.87Å; R349-F486 HydrophobicContact CG-CD1 3.96Å; R349-F486 HydrophobicContact CG-CE1 3.51Å; R349-F486 HydrophobicContact CG-CZ 3.9Å; R349-V536 CarbonylContact O-C 3.48Å; R349-V536 WeakPolarHBondContact O-CA 3.26Å; R349-H537 HydrophobicContact CB-CB 4.41Å; R349-H537 PolarHBondContact N-O 2.64Å; R349-H537 PolarHBondContact O-N 3.22Å
350	Y	94.9	Very high	77.5	Confident	21 Å²	21	68.3 Å²	68.3	8%	0.082	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	122.7	168	-172.2	-79.4	0	0	0	109.2	F352 S484 L485 I520 P522 A525 H535 V536	Y350-F352 HydrophobicContact CD1-CD1 4.03Å; Y350-F352 HydrophobicContact CD1-CE1 4.17Å; Y350-F352 AromaticContact CE1-CD1 3.99Å; Y350-F352 HydrophobicContact CE1-CD1 3.99Å; Y350-F352 HydrophobicContact CE1-CE1 4.4Å; Y350-S484 CarbonylContact O-C 3.52Å; Y350-S484 VanDerWaalsContact O-CA 3.25Å; Y350-S484 WeakPolarHBondContact O-CA 3.15Å; Y350-L485 PolarHBondContact N-O 2.97Å; Y350-L485 PolarHBondContact O-N 2.81Å; Y350-I520 HydrophobicContact CD1-CG2 4.01Å; Y350-I520 HydrophobicContact CD2-CG2 4.16Å; Y350-I520 HydrophobicContact CE1-CD1 4.15Å; Y350-I520 HydrophobicContact CE1-CG2 3.6Å; Y350-I520 HydrophobicContact CE2-CG2 3.76Å; Y350-I520 HydrophobicContact CG-CG2 4.29Å; Y350-I520 VanDerWaalsContact CZ-CG2 3.47Å; Y350-P522 HydrophobicContact CD2-CB 4.05Å; Y350-P522 HydrophobicContact CD2-CG 4.34Å; Y350-P522 HydrophobicContact CG-CB 4.29Å; Y350-P522 HydrophobicContact CG-CG 4.31Å; Y350-A525 HydrophobicContact CE2-CB 4.27Å; Y350-H535 WeakPolarHBondContact CA-O 3.48Å; Y350-H535 HydrophobicContact CD2-CB 4.35Å; Y350-H535 HydrophobicContact CE1-CB 4.19Å; Y350-H535 HydrophobicContact CE2-CB 3.87Å; Y350-V536 HydrophobicContact CD2-CG2 3.81Å; Y350-V536 HydrophobicContact CE2-CG2 4.21Å
351	N	93.7	Very high	74.9	Confident	21 Å²	21	75.5 Å²	75.5	11%	0.112	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	126.7	174	-69	-24.8	0	0	0	109.8	R349 Q353 S484 H535 H537	R349-N351 PolarHBondContact NE-OD1 2.98Å; R349-N351 PolarHBondContact NH2-OD1 2.93Å; N351-Q353 WeakPolarHBondContact CB-O 3.3Å; N351-Q353 PolarHBondContact O-N 3.3Å; N351-S484 PolarHBondContact OD1-OG 3.47Å; N351-H535 PolarHBondContact N-O 2.97Å; N351-H535 WeakPolarHBondContact O-CB 3.15Å; N351-H535 PolarHBondContact O-CD2 2.69Å; N351-H535 VanDerWaalsContact O-CD2 3.3Å; N351-H537 PolarHBondContact ND2-CD2 2.82Å; N351-H537 VanDerWaalsContact ND2-CD2 3.28Å; N351-H537 PolarHBondContact ND2-NE2 2.93Å; N351-H537 VanDerWaalsContact ND2-NE2 3.1Å
352	F	90.3	Very high	72.1	Confident	22 Å²	22	76.8 Å²	76.8	10%	0.096	43%	0.432	C	S	.	.	S	Bend	trans	-69.2	-21.9	175.3	-62.9	-62.3	0	0	0	112.6	Y350 H376 I400 P482 K483 L485 F517 I520	Y350-F352 HydrophobicContact CD1-CD1 4.03Å; Y350-F352 HydrophobicContact CD1-CE1 4.17Å; Y350-F352 AromaticContact CE1-CD1 3.99Å; Y350-F352 HydrophobicContact CE1-CD1 3.99Å; Y350-F352 HydrophobicContact CE1-CE1 4.4Å; F352-H376 PolarHBondContact O-CE1 3.02Å; F352-H376 PolarHBondContact O-NE2 3.3Å; F352-I400 HydrophobicContact CE2-CG2 3.96Å; F352-I400 HydrophobicContact CZ-CG2 4.33Å; F352-P482 HydrophobicContact CD2-CB 3.87Å; F352-P482 HydrophobicContact CE2-CB 3.83Å; F352-K483 VanDerWaalsContact CD2-C 3.44Å; F352-K483 PolarHBondContact N-O 3.43Å; F352-L485 HydrophobicContact CE2-CB 4.47Å; F352-L485 HydrophobicContact CZ-CB 3.99Å; F352-F517 AromaticContact CE1-CD1 3.71Å; F352-F517 HydrophobicContact CE1-CD1 3.71Å; F352-F517 HydrophobicContact CE1-CE1 4Å; F352-F517 AromaticContact CZ-CD1 3.68Å; F352-F517 HydrophobicContact CZ-CD1 3.68Å; F352-F517 AromaticContact CZ-CE1 3.75Å; F352-F517 HydrophobicContact CZ-CE1 3.75Å; F352-I520 HydrophobicContact CD1-CD1 3.53Å; F352-I520 HydrophobicContact CE1-CD1 3.58Å
353	Q	82.1	Confident	69.6	Low	89 Å²	89	82.4 Å²	82.4	42%	0.416	47%	0.471	S	S	.	.	S	Bend	trans	-104	136	174.3	-168.5	-178.8	-3.6	0	0	111.2	N351	N351-Q353 WeakPolarHBondContact CB-O 3.3Å; N351-Q353 PolarHBondContact O-N 3.3Å
354	A	60.9	Low	67.2	Low	51 Å²	51	81.7 Å²	81.7	42%	0.421	48%	0.479	S	S	.	.	P	Polyproline II helix	trans	-64.8	146.1	170.7	0	0	0	0	0	110.9	A356	A354-A356 PolarHBondContact O-N 2.93Å
355	P	54.3	Low	64.6	Low	76 Å²	76	87.3 Å²	87.3	49%	0.494	50%	0.495	S	S	.	.	P	Polyproline II helix	trans	-57.5	129.2	168.9	-15.8	27.6	0	0	0	109.2	T357	P355-T357 PolarHBondContact O-N 3.27Å
356	A	49.5	Very low	62.3	Low	88 Å²	88	92.2 Å²	92.2	73%	0.727	52%	0.518	S	S	*	.			trans	-58	108.7	173	0	0	0	0	0	108.6	A354 N358	A354-A356 PolarHBondContact O-N 2.93Å; A356-N358 PolarHBondContact O-N 2.63Å; A356-N358 VanDerWaalsContact O-N 3.15Å
357	T	40	Very low	59.5	Low	129 Å²	129	98.6 Å²	98.6	79%	0.791	55%	0.553	S	S	*	*			trans	-62.1	117.8	168.8	48.5	0	0	0	0	106.9	P355 A359	P355-T357 PolarHBondContact O-N 3.27Å; T357-A359 VanDerWaalsContact C-N 3.27Å; T357-A359 PolarHBondContact O-N 3.41Å
358	N	40	Very low	56.9	Low	155 Å²	155	104.7 Å²	104.7	83%	0.829	59%	0.588	S	S	*	*			trans	-58.9	88.1	175.5	-73.8	-40.5	0	0	0	110.1	A356 R360	A356-N358 PolarHBondContact O-N 2.63Å; A356-N358 VanDerWaalsContact O-N 3.15Å; N358-R360 PolarHBondContact O-N 3.03Å
359	A	37.4	Very low	53.8	Low	96 Å²	96	108.4 Å²	108.4	79%	0.793	62%	0.619	S	S	*	*			trans	-75.2	71.3	164.7	0	0	0	0	0	108.4	T357 D361	T357-A359 VanDerWaalsContact C-N 3.27Å; T357-A359 PolarHBondContact O-N 3.41Å; A359-D361 VanDerWaalsContact C-N 3.29Å; A359-D361 PolarHBondContact O-N 3.3Å
360	R	46	Very low	51	Low	228 Å²	228	111.8 Å²	111.8	86%	0.86	65%	0.648	S	S	*	*			trans	-83.7	86.1	152.7	-76.9	-169.7	-179	178.3	1.1	106.7	N358	N358-R360 PolarHBondContact O-N 3.03Å
361	D	38.9	Very low	47.9	Very low	150 Å²	150	117.7 Å²	117.7	80%	0.802	68%	0.681	S	S	*	*			trans	170.9	118.6	134.9	-93.8	-19.1	0	0	0	109.1	A359	A359-D361 VanDerWaalsContact C-N 3.29Å; A359-D361 PolarHBondContact O-N 3.3Å
362	S	35.5	Very low	45.1	Very low	115 Å²	115	125.7 Å²	125.7	80%	0.804	72%	0.718	S	S	*	*			trans	144.9	88.6	143.9	-63.4	0	0	0	0	109.5	S364	S362-S364 PolarHBondContact O-N 3.47Å; S362-S364 VanDerWaalsContact O-N 3.17Å
363	S	43.3	Very low	42.7	Very low	119 Å²	119	131.9 Å²	131.9	83%	0.832	75%	0.747	S	S	*	*			trans	-54.3	112.7	154.4	53.5	0	0	0	0	109.4
364	S	41	Very low	40.8	Very low	100 Å²	100	134.8 Å²	134.8	70%	0.699	77%	0.765	S	S	*	*			trans	156.4	108.8	138.6	55.2	0	0	0	0	111	S362	S362-S364 PolarHBondContact O-N 3.47Å; S362-S364 VanDerWaalsContact O-N 3.17Å
365	R	37.6	Very low	40	Very low	233 Å²	233	136.9 Å²	136.9	88%	0.879	78%	0.777	S	S	*	*				161.9	122.4	117.3	-85.6	171.7	-172.7	-176.7	2.2	108.7
366	V	42.4	Very low	40.3	Very low	133 Å²	133	136.6 Å²	136.6	81%	0.806	77%	0.769	S	S	*	*			trans	-69.3	120.2	166.2	173.8	0	0	0	0	106.7
367	D	35.5	Very low	41.5	Very low	155 Å²	155	136.9 Å²	136.9	83%	0.829	76%	0.763	S	S	*	*			trans	-146.5	126.3	150.8	-92.2	-37.4	0	0	0	108.3	A369	D367-A369 PolarHBondContact O-N 3.38Å
368	N	39.4	Very low	43.8	Very low	166 Å²	166	134.3 Å²	134.3	89%	0.888	74%	0.744	S	S	*	*			trans	-64.3	100.8	179.9	-73.4	-43.7	0	0	0	110.2
369	A	31.1	Very low	46.2	Very low	78 Å²	78	128.3 Å²	128.3	65%	0.645	71%	0.712	S	S	*	*			trans	-109.7	136.9	156.2	0	0	0	0	0	107.4	D367 D371	D367-A369 PolarHBondContact O-N 3.38Å; A369-D371 PolarHBondContact O-N 3.21Å
370	P	36.3	Very low	48.8	Very low	122 Å²	122	125.7 Å²	125.7	79%	0.792	69%	0.69	S	S	*	*			trans	-62.7	125.5	172.2	27.1	-29.6	0	0	0	107.5	Q372	P370-Q372 PolarHBondContact O-N 2.92Å
371	D	29.9	Very low	51.1	Low	145 Å²	145	119.9 Å²	119.9	78%	0.775	67%	0.673	S	S	*	*			trans	-41.7	105	176	-84.7	-45.6	0	0	0	110.6	A369 Q373	A369-D371 PolarHBondContact O-N 3.21Å; D371-Q373 PolarHBondContact O-N 2.88Å
372	Q	35.9	Very low	53.8	Low	190 Å²	190	112.7 Å²	112.7	89%	0.888	64%	0.635	S	S	*	*			trans	-71.4	76	152.7	-80.5	-171.6	-9.6	0	0	106.3	P370 N374	P370-Q372 PolarHBondContact O-N 2.92Å; Q372-N374 PolarHBondContact O-N 3.45Å; Q372-N374 VanDerWaalsContact O-N 3.15Å
373	Q	40.2	Very low	56.7	Low	152 Å²	152	109.5 Å²	109.5	71%	0.71	61%	0.607	S	S	*	*			trans	-56.5	119.8	169	-153.2	140.2	6.4	0	0	106.3	D371 S375	D371-Q373 PolarHBondContact O-N 2.88Å; Q373-S375 PolarHBondContact O-N 2.78Å; Q373-S375 PolarHBondContact O-OG 3.21Å
374	N	41.2	Very low	59.2	Low	150 Å²	150	103.9 Å²	103.9	80%	0.802	57%	0.568	S	S	*	*			trans	-61.4	68	173	-85.7	-34.4	0	0	0	110.2	Q372	Q372-N374 PolarHBondContact O-N 3.45Å; Q372-N374 VanDerWaalsContact O-N 3.15Å
375	S	43.9	Very low	61.8	Low	95 Å²	95	102.6 Å²	102.6	66%	0.664	55%	0.548	S	S	*	.			trans	-93.9	113.7	167.6	45.4	0	0	0	0	107.9	Q373	Q373-S375 PolarHBondContact O-N 2.78Å; Q373-S375 PolarHBondContact O-OG 3.21Å
376	H	60.2	Low	64.6	Low	70 Å²	70	91.6 Å²	91.6	32%	0.324	51%	0.506	S	S	.	.	P	Polyproline II helix	trans	-61.3	139.4	168.7	-73.9	-79.3	0	0	0	109.1	F352 D378	F352-H376 PolarHBondContact O-CE1 3.02Å; F352-H376 PolarHBondContact O-NE2 3.3Å; H376-D378 PolarHBondContact O-N 3.33Å
377	P	76.3	Confident	67.2	Low	94 Å²	94	85.6 Å²	85.6	61%	0.61	47%	0.47	S	S	*	.	P	Polyproline II helix	trans	-65.9	133.8	-176.3	26.4	-33.1	0	0	0	110.2	L379	P377-L379 PolarHBondContact O-N 3.36Å
378	D	87.2	Confident	70	Confident	74 Å²	74	78.3 Å²	78.3	40%	0.396	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-59.2	132.8	168.1	-59	-40.3	0	0	0	109.1	H376 L478 N480 S481	H376-D378 PolarHBondContact O-N 3.33Å; D378-L478 HydrophobicContact CB-CB 4.24Å; D378-L478 HydrophobicContact CB-CD1 4.16Å; D378-N480 VanDerWaalsContact OD1-CA 3.23Å; D378-N480 WeakPolarHBondContact OD1-CA 3.26Å; D378-S481 PolarHBondContact OD1-N 3.5Å
379	L	91	Very high	72.7	Confident	29 Å²	29	71.3 Å²	71.3	15%	0.152	40%	0.395	C	S	.	.	B	Isolated β-bridge	trans	-93.3	115	-171.8	-57.7	176.8	0	0	0	109.8	P377 Q381 E382 R452 L478 F479 P482 F517	P377-L379 PolarHBondContact O-N 3.36Å; L379-Q381 VanDerWaalsContact C-N 3.32Å; L379-E382 HydrophobicContact CD1-CB 4.42Å; L379-R452 PolarHBondContact O-NH2 3.15Å; L379-L478 WeakPolarHBondContact O-CA 3.49Å; L379-F479 HydrophobicContact CB-CB 4.26Å; L379-F479 PolarHBondContact N-O 3.21Å; L379-F479 PolarHBondContact O-N 3.34Å; L379-P482 HydrophobicContact CD1-CG 3.77Å; L379-P482 HydrophobicContact CG-CG 4.19Å; L379-F517 HydrophobicContact CD1-CE1 4.16Å; L379-F517 HydrophobicContact CD1-CZ 3.75Å
380	A	92.6	Very high	75.7	Confident	41 Å²	41	67.8 Å²	67.8	34%	0.339	37%	0.365	S	S	.	.	S	Bend	trans	-81.6	-17.8	164.3	0	0	0	0	0	112	R452 E454 L478	A380-R452 PolarHBondContact O-NH1 3.03Å; A380-E454 PolarHBondContact O-N 3.37Å; A380-L478 HydrophobicContact CB-CD2 3.78Å
381	Q	94.6	Very high	78.4	Confident	106 Å²	106	66.9 Å²	66.9	50%	0.495	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	137.5	-179.3	177	-177.9	-18.9	0	0	110.2	L379 R452 H453	L379-Q381 VanDerWaalsContact C-N 3.32Å; Q381-R452 WeakPolarHBondContact CA-O 3.35Å; Q381-R452 VanDerWaalsContact CG-O 3.27Å; Q381-R452 WeakPolarHBondContact CG-O 2.95Å; Q381-H453 PolarHBondContact NE2-CE1 3.29Å; Q381-H453 PolarHBondContact OE1-CE1 3.13Å; Q381-H453 PolarHBondContact OE1-ND1 3.39Å; Q381-H453 VanDerWaalsContact OE1-ND1 3.16Å
382	E	94.6	Very high	81.5	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	153.5	168.2	71.2	-80.9	173.3	0	0	111.8	L379 I384 Y422 T451 R452 F517 N518	L379-E382 HydrophobicContact CD1-CB 4.42Å; E382-I384 HydrophobicContact CG-CG1 4.45Å; E382-Y422 WeakPolarHBondContact OE1-CE1 3.26Å; E382-Y422 PolarHBondContact OE1-OH 3.41Å; E382-T451 WeakPolarHBondContact O-CA 3.36Å; E382-R452 PolarHBondContact N-O 3.27Å; E382-R452 PolarHBondContact O-N 2.69Å; E382-R452 VanDerWaalsContact OE1-CB 3.24Å; E382-R452 WeakPolarHBondContact OE1-CB 3.26Å; E382-R452 WeakPolarHBondContact OE1-CD 3.18Å; E382-R452 IonicContact OE1-CZ 3.88Å; E382-R452 IonicContact OE1-NE 3.73Å; E382-R452 PolarHBondContact OE1-NE 2.83Å; E382-R452 IonicContact OE1-NH2 3.29Å; E382-R452 IonicContact OE2-CZ 2.82Å; E382-R452 IonicContact OE2-NE 2.76Å; E382-R452 PolarHBondContact OE2-NE 3.19Å; E382-R452 IonicContact OE2-NH2 3.47Å; E382-R452 PolarHBondContact OE2-NH2 3.29Å; E382-F517 HydrophobicContact CB-CE2 3.91Å; E382-F517 HydrophobicContact CB-CZ 4.14Å; E382-F517 HydrophobicContact CG-CE2 4.08Å; E382-N518 WeakPolarHBondContact CA-OD1 3.29Å
383	E	95.5	Very high	84.2	Confident	48 Å²	48	57.7 Å²	57.7	22%	0.224	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	130.9	174.9	-179.7	166.7	-145.3	0	0	110.5	R385 I450 T451 F517 N518	E383-R385 VanDerWaalsContact CD-NE 3.26Å; E383-R385 HydrophobicContact CG-CG 4.23Å; E383-R385 IonicContact OE1-CZ 2.89Å; E383-R385 IonicContact OE1-NE 3.58Å; E383-R385 PolarHBondContact OE1-NE 2.83Å; E383-R385 IonicContact OE1-NH2 2.68Å; E383-R385 PolarHBondContact OE1-NH2 2.93Å; E383-R385 IonicContact OE2-CZ 3.22Å; E383-R385 IonicContact OE2-NE 3.58Å; E383-R385 IonicContact OE2-NH2 3.39Å; E383-R385 PolarHBondContact OE2-NH2 3.37Å; E383-R385 VanDerWaalsContact OE2-NH2 3.12Å; E383-I450 CarbonylContact C-O 3.55Å; E383-I450 WeakPolarHBondContact CA-O 3.26Å; E383-T451 HydrophobicContact CB-CG2 4.48Å; E383-F517 WeakPolarHBondContact O-CA 3.46Å; E383-N518 PolarHBondContact N-OD1 3.18Å; E383-N518 PolarHBondContact O-N 2.93Å
384	I	96.9	Very high	86.8	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	121.3	-177.3	-45.2	-167.8	0	0	0	108.4	E382 F386 L398 I400 L408 N449 I450 Q516 F517	E382-I384 HydrophobicContact CG-CG1 4.45Å; I384-F386 HydrophobicContact CG2-CD1 4.12Å; I384-F386 HydrophobicContact CG2-CE1 4.44Å; I384-L398 HydrophobicContact CG2-CD1 3.92Å; I384-I400 HydrophobicContact CD1-CD1 4.03Å; I384-L408 HydrophobicContact CD1-CD2 3.16Å; I384-L408 HydrophobicContact CD1-CG 4.26Å; I384-N449 CarbonylContact O-C 3.54Å; I384-N449 WeakPolarHBondContact O-CA 3.43Å; I384-N449 PolarHBondContact O-OD1 3.46Å; I384-I450 HydrophobicContact CB-CB 4.3Å; I384-I450 PolarHBondContact N-O 3.02Å; I384-I450 PolarHBondContact O-N 2.02Å; I384-Q516 WeakPolarHBondContact CA-O 3.41Å; I384-F517 HydrophobicContact CD1-CD2 3.84Å; I384-F517 HydrophobicContact CD1-CE2 3.98Å; I384-F517 HydrophobicContact CG1-CD2 3.77Å; I384-F517 HydrophobicContact CG1-CE2 4.13Å
385	R	96.3	Very high	89.3	Confident	74 Å²	74	45.4 Å²	45.4	28%	0.279	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	133.5	177.1	-58.8	177.5	-175.9	170.9	3.2	107.6	E383 V448 N449 R514 V515 Q516	E383-R385 VanDerWaalsContact CD-NE 3.26Å; E383-R385 HydrophobicContact CG-CG 4.23Å; E383-R385 IonicContact OE1-CZ 2.89Å; E383-R385 IonicContact OE1-NE 3.58Å; E383-R385 PolarHBondContact OE1-NE 2.83Å; E383-R385 IonicContact OE1-NH2 2.68Å; E383-R385 PolarHBondContact OE1-NH2 2.93Å; E383-R385 IonicContact OE2-CZ 3.22Å; E383-R385 IonicContact OE2-NE 3.58Å; E383-R385 IonicContact OE2-NH2 3.39Å; E383-R385 PolarHBondContact OE2-NH2 3.37Å; E383-R385 VanDerWaalsContact OE2-NH2 3.12Å; R385-V448 WeakPolarHBondContact CA-O 3.38Å; R385-N449 HydrophobicContact CG-CB 4.36Å; R385-R514 CarbonylContact C-O 3.43Å; R385-V515 CarbonylContact O-C 3.33Å; R385-V515 WeakPolarHBondContact O-CA 3.41Å; R385-Q516 HydrophobicContact CB-CB 4.42Å; R385-Q516 PolarHBondContact N-O 3.38Å; R385-Q516 PolarHBondContact O-N 2.91Å
386	F	96.4	Very high	91.7	Very high	2 Å²	2	41 Å²	41	1%	0.009	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.3	169.8	168.9	65.2	-79.2	0	0	0	110	I384 F388 L397 L398 V410 V448 L512 S513 V515	I384-F386 HydrophobicContact CG2-CD1 4.12Å; I384-F386 HydrophobicContact CG2-CE1 4.44Å; F386-F388 HydrophobicContact CD2-CB 4.5Å; F386-F388 HydrophobicContact CD2-CD1 4.35Å; F386-F388 HydrophobicContact CE2-CB 4.48Å; F386-F388 AromaticContact CE2-CD1 3.82Å; F386-F388 HydrophobicContact CE2-CD1 3.82Å; F386-F388 HydrophobicContact CE2-CG 4.48Å; F386-L397 HydrophobicContact CE2-CB 3.98Å; F386-L397 HydrophobicContact CE2-CD1 3.93Å; F386-L397 HydrophobicContact CZ-CB 4.3Å; F386-L397 HydrophobicContact CZ-CD1 4.27Å; F386-L398 HydrophobicContact CD1-CD1 4.44Å; F386-V410 HydrophobicContact CE1-CG1 4.46Å; F386-V410 HydrophobicContact CE1-CG2 4.34Å; F386-V410 HydrophobicContact CZ-CB 4.13Å; F386-V410 HydrophobicContact CZ-CG1 3.84Å; F386-V410 HydrophobicContact CZ-CG2 4.44Å; F386-V448 HydrophobicContact CD1-CB 4.15Å; F386-V448 HydrophobicContact CE1-CB 3.74Å; F386-V448 HydrophobicContact CE1-CG1 3.78Å; F386-V448 HydrophobicContact CE1-CG2 4.37Å; F386-V448 HydrophobicContact CE2-CB 4.25Å; F386-V448 HydrophobicContact CE2-CG2 4.1Å; F386-V448 HydrophobicContact CZ-CB 3.8Å; F386-V448 HydrophobicContact CZ-CG1 4Å; F386-V448 HydrophobicContact CZ-CG2 3.91Å; F386-V448 PolarHBondContact N-O 3.09Å; F386-V448 PolarHBondContact O-N 3.41Å; F386-L512 HydrophobicContact CD2-CD2 4.16Å; F386-S513 CarbonylContact C-O 3.58Å; F386-V515 HydrophobicContact CB-CB 4.28Å; F386-V515 HydrophobicContact CB-CG2 3.79Å
387	S	95.4	Very high	93.4	Very high	7 Å²	7	37.6 Å²	37.6	5%	0.049	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	147.2	170.1	-59.1	0	0	0	0	109.2	H446 S447 L512 S513	S387-H446 CarbonylContact C-O 3.51Å; S387-H446 WeakPolarHBondContact CA-O 3.21Å; S387-H446 VanDerWaalsContact CB-O 3.3Å; S387-H446 WeakPolarHBondContact CB-O 3.23Å; S387-S447 WeakPolarHBondContact OG-CA 3.48Å; S387-S447 PolarHBondContact OG-OG 2.89Å; S387-S447 VanDerWaalsContact OG-OG 3.09Å; S387-L512 CarbonylContact O-C 3.54Å; S387-L512 WeakPolarHBondContact O-CA 3.33Å; S387-S513 PolarHBondContact N-O 2.04Å; S387-S513 PolarHBondContact O-N 3.29Å
388	F	95.4	Very high	94.4	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.009	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	150.3	-176.8	74.3	-82.6	0	0	0	111.3	F386 T390 L397 V412 L418 M440 P445 H446 V448 C511 L512	F386-F388 HydrophobicContact CD2-CB 4.5Å; F386-F388 HydrophobicContact CD2-CD1 4.35Å; F386-F388 HydrophobicContact CE2-CB 4.48Å; F386-F388 AromaticContact CE2-CD1 3.82Å; F386-F388 HydrophobicContact CE2-CD1 3.82Å; F386-F388 HydrophobicContact CE2-CG 4.48Å; F388-T390 HydrophobicContact CD2-CG2 4.14Å; F388-T390 HydrophobicContact CE2-CG2 4.23Å; F388-L397 HydrophobicContact CB-CD2 4.32Å; F388-L397 HydrophobicContact CD1-CD1 3.7Å; F388-L397 HydrophobicContact CD2-CD1 3.92Å; F388-L397 HydrophobicContact CD2-CD2 3.86Å; F388-L397 HydrophobicContact CE1-CD1 3.68Å; F388-L397 HydrophobicContact CE2-CD1 3.91Å; F388-L397 HydrophobicContact CE2-CD2 4.38Å; F388-L397 HydrophobicContact CG-CD1 3.81Å; F388-L397 HydrophobicContact CG-CD2 4.08Å; F388-L397 HydrophobicContact CZ-CD1 3.79Å; F388-V412 HydrophobicContact CE2-CG2 4.19Å; F388-V412 HydrophobicContact CZ-CG2 4.48Å; F388-L418 HydrophobicContact CE1-CD1 4.33Å; F388-L418 HydrophobicContact CZ-CD1 4.24Å; F388-M440 HydrophobicContact CE2-CB 4.31Å; F388-M440 HydrophobicContact CZ-CB 4.02Å; F388-P445 WeakPolarHBondContact O-CA 3.38Å; F388-H446 HydrophobicContact CD1-CB 4.2Å; F388-H446 HydrophobicContact CE1-CB 3.76Å; F388-H446 HydrophobicContact CZ-CB 3.98Å; F388-H446 PolarHBondContact N-O 3.38Å; F388-H446 PolarHBondContact O-N 3.32Å; F388-V448 HydrophobicContact CD1-CG2 4.01Å; F388-V448 HydrophobicContact CE1-CG2 3.66Å; F388-C511 CarbonylContact C-O 3.59Å; F388-C511 WeakPolarHBondContact CA-O 3.37Å; F388-L512 HydrophobicContact CB-CD2 3.71Å
389	S	94.8	Very high	94.8	Very high	18 Å²	18	30.2 Å²	30.2	13%	0.126	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	131.9	165.3	59.2	0	0	0	0	108.9	Q444 G510 C511	S389-Q444 WeakPolarHBondContact CB-O 3.02Å; S389-G510 CarbonylContact O-C 3.38Å; S389-G510 VanDerWaalsContact O-CA 3.27Å; S389-G510 WeakPolarHBondContact O-CA 2.96Å; S389-C511 PolarHBondContact N-O 3.16Å; S389-C511 PolarHBondContact O-N 3.17Å; S389-C511 WeakPolarHBondContact OG-CB 3.39Å
390	T	94.4	Very high	95	Very high	4 Å²	4	28.8 Å²	28.8	3%	0.025	16%	0.158	C	C	.	.			trans	-154.1	154.4	177.4	-173	0	0	0	0	110.9	F388 K392 A441 N442 G443 F508 T509	F388-T390 HydrophobicContact CD2-CG2 4.14Å; F388-T390 HydrophobicContact CE2-CG2 4.23Å; T390-K392 PolarHBondContact OG1-N 2.74Å; T390-K392 PolarHBondContact OG1-O 3.29Å; T390-A441 HydrophobicContact CG2-CB 4.18Å; T390-A441 CarbonylContact O-C 3.56Å; T390-A441 WeakPolarHBondContact O-CA 3.42Å; T390-N442 PolarHBondContact O-N 2.92Å; T390-G443 WeakPolarHBondContact O-CA 3.2Å; T390-G443 PolarHBondContact O-N 3.32Å; T390-F508 HydrophobicContact CG2-CE2 4.25Å; T390-T509 WeakPolarHBondContact CB-O 3.2Å; T390-T509 PolarHBondContact OG1-O 2.9Å
391	T	94.1	Very high	95.1	Very high	103 Å²	103	27 Å²	27	63%	0.632	14%	0.143	S	C	*	.	S	Bend	trans	-113.4	8.3	169	60.1	0	0	0	0	111.6
392	K	94.1	Very high	95	Very high	99 Å²	99	22.5 Å²	22.5	43%	0.43	12%	0.123	S	C	.	.			trans	-111.4	136.4	-176.8	-60.9	-69.3	-170.1	161.5	0	109.6	E344 T390	E344-K392 IonicContact OE1-NZ 3.85Å; T390-K392 PolarHBondContact OG1-N 2.74Å; T390-K392 PolarHBondContact OG1-O 3.29Å
393	A	93.5	Very high	94.8	Very high	43 Å²	43	28.1 Å²	28.1	36%	0.355	15%	0.148	S	C	.	.			trans	-149.3	144.9	171.5	0	0	0	0	0	108.9	V412 A441	A393-V412 HydrophobicContact CB-CG1 3.98Å; A393-A441 HydrophobicContact CB-CB 3.96Å
394	P	93.7	Very high	94.4	Very high	45 Å²	45	29.1 Å²	29.1	29%	0.292	16%	0.157	S	C	.	.	S	Bend	cis	-76.3	157	-3.2	33.4	-36.3	0	0	0	113.2	V412 P414 Y503	P394-V412 WeakPolarHBondContact CA-O 3.44Å; P394-V412 WeakPolarHBondContact CB-O 3.07Å; P394-P414 HydrophobicContact CB-CG 4.01Å; P394-P414 HydrophobicContact CG-CG 4.07Å; P394-Y503 HydrophobicContact CB-CD1 3.45Å; P394-Y503 VanDerWaalsContact CB-CD1 3.45Å; P394-Y503 HydrophobicContact CB-CE1 3.96Å; P394-Y503 HydrophobicContact CB-CG 3.85Å; P394-Y503 HydrophobicContact CG-CD1 3.53Å; P394-Y503 HydrophobicContact CG-CE1 4.06Å; P394-Y503 HydrophobicContact CG-CG 4.32Å
395	C	94.4	Very high	94	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	156.8	173.8	61.8	0	0	0	0	112.3	L411 V412 F508	C395-L411 CarbonylContact O-C 3.05Å; C395-L411 WeakPolarHBondContact O-CA 3.27Å; C395-L411 WeakPolarHBondContact O-CB 3.07Å; C395-V412 PolarHBondContact N-O 3.13Å; C395-V412 VanDerWaalsContact N-O 3.12Å; C395-V412 PolarHBondContact O-N 3.31Å; C395-F508 HydrophobicContact CB-CB 4.35Å
396	I	94.8	Very high	93.9	Very high	1 Å²	1	31 Å²	31	1%	0.005	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	124	173.5	-59.3	162.9	0	0	0	109.2	L411 V490 I500 N504 F508	I396-L411 HydrophobicContact CG1-CB 4.49Å; I396-V490 HydrophobicContact CD1-CG2 3.86Å; I396-V490 HydrophobicContact CG2-CG2 4.03Å; I396-I500 HydrophobicContact CD1-CG2 3.66Å; I396-I500 WeakPolarHBondContact CD1-O 3.3Å; I396-N504 HydrophobicContact CD1-CB 3.78Å; I396-F508 WeakPolarHBondContact O-CB 3.41Å
397	L	95.4	Very high	93.8	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	-43.9	179.8	-57.4	178	0	0	0	111.6	F386 F388 V410 V412 L418 F508	F386-L397 HydrophobicContact CE2-CB 3.98Å; F386-L397 HydrophobicContact CE2-CD1 3.93Å; F386-L397 HydrophobicContact CZ-CB 4.3Å; F386-L397 HydrophobicContact CZ-CD1 4.27Å; F388-L397 HydrophobicContact CB-CD2 4.32Å; F388-L397 HydrophobicContact CD1-CD1 3.7Å; F388-L397 HydrophobicContact CD2-CD1 3.92Å; F388-L397 HydrophobicContact CD2-CD2 3.86Å; F388-L397 HydrophobicContact CE1-CD1 3.68Å; F388-L397 HydrophobicContact CE2-CD1 3.91Å; F388-L397 HydrophobicContact CE2-CD2 4.38Å; F388-L397 HydrophobicContact CG-CD1 3.81Å; F388-L397 HydrophobicContact CG-CD2 4.08Å; F388-L397 HydrophobicContact CZ-CD1 3.79Å; L397-V410 HydrophobicContact CD1-CG1 4.41Å; L397-V410 PolarHBondContact N-O 3.19Å; L397-V412 HydrophobicContact CD1-CG2 3.91Å; L397-V412 HydrophobicContact CD2-CG2 4.26Å; L397-V412 HydrophobicContact CG-CG2 4.17Å; L397-L418 HydrophobicContact CD1-CD1 3.76Å; L397-F508 HydrophobicContact CD2-CD2 3.39Å; L397-F508 HydrophobicContact CD2-CE2 3.45Å; L397-F508 VanDerWaalsContact CD2-CE2 3.45Å; L397-F508 HydrophobicContact CD2-CG 4.36Å; L397-F508 HydrophobicContact CD2-CZ 4.5Å
398	L	96.4	Very high	93.8	Very high	1 Å²	1	31 Å²	31	1%	0.005	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	136.6	-176.4	179.1	147.8	0	0	0	109.5	I384 F386 I400 A409 V410 L485 L487 V515	I384-L398 HydrophobicContact CG2-CD1 3.92Å; F386-L398 HydrophobicContact CD1-CD1 4.44Å; L398-I400 HydrophobicContact CD2-CD1 3.93Å; L398-I400 HydrophobicContact CD2-CG1 3.74Å; L398-A409 WeakPolarHBondContact O-CA 3.4Å; L398-V410 HydrophobicContact CD2-CG2 4.5Å; L398-V410 PolarHBondContact N-O 3.42Å; L398-V410 PolarHBondContact O-N 3.27Å; L398-L485 HydrophobicContact CD1-CD1 4.4Å; L398-L487 HydrophobicContact CB-CD2 4.3Å; L398-L487 HydrophobicContact CD1-CD2 4.21Å; L398-L487 HydrophobicContact CG-CD2 4.3Å; L398-V515 HydrophobicContact CD1-CG1 4.37Å
399	Y	96.5	Very high	93.8	Very high	11 Å²	11	31 Å²	31	4%	0.043	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	129.9	174.4	176.7	-106.3	0	0	0	110.2	F407 L408 A409 L485 F486 V490 E492 I500	Y399-F407 HydrophobicContact CE2-CB 3.79Å; Y399-F407 AromaticContact CE2-CD2 3.86Å; Y399-F407 HydrophobicContact CE2-CD2 3.86Å; Y399-F407 AromaticContact CE2-CG 3.97Å; Y399-F407 HydrophobicContact CE2-CG 3.97Å; Y399-L408 CarbonylContact C-O 3.58Å; Y399-L408 WeakPolarHBondContact CA-O 3.29Å; Y399-A409 HydrophobicContact CD2-CB 3.94Å; Y399-L485 CarbonylContact O-C 3.1Å; Y399-L485 WeakPolarHBondContact O-CA 3.46Å; Y399-F486 AromaticContact CD1-CD2 3.72Å; Y399-F486 HydrophobicContact CD1-CD2 3.72Å; Y399-F486 HydrophobicContact CD1-CE2 4.31Å; Y399-F486 HydrophobicContact CD1-CG 4.45Å; Y399-F486 HydrophobicContact CE1-CD2 4.37Å; Y399-F486 PolarHBondContact N-O 2.58Å; Y399-F486 PolarHBondContact O-N 2.79Å; Y399-V490 HydrophobicContact CD1-CB 4.46Å; Y399-V490 HydrophobicContact CD1-CG1 3.42Å; Y399-V490 VanDerWaalsContact CD1-CG1 3.42Å; Y399-V490 HydrophobicContact CD1-CG2 4.15Å; Y399-V490 HydrophobicContact CE1-CG1 3.81Å; Y399-V490 HydrophobicContact CG-CG1 4.12Å; Y399-V490 HydrophobicContact CG-CG2 4.08Å; Y399-E492 HydrophobicContact CE1-CB 4.26Å; Y399-I500 HydrophobicContact CD2-CG2 4.28Å; Y399-I500 HydrophobicContact CE2-CG2 4.35Å
400	I	95.8	Very high	93.9	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	119.6	176.4	-54.7	176.6	0	0	0	107.9	F352 I384 L398 F407 L408 F479 S484 L485 F517	F352-I400 HydrophobicContact CE2-CG2 3.96Å; F352-I400 HydrophobicContact CZ-CG2 4.33Å; I384-I400 HydrophobicContact CD1-CD1 4.03Å; L398-I400 HydrophobicContact CD2-CD1 3.93Å; L398-I400 HydrophobicContact CD2-CG1 3.74Å; I400-F407 VanDerWaalsContact O-CA 3.26Å; I400-F407 WeakPolarHBondContact O-CA 3.43Å; I400-F407 WeakPolarHBondContact O-CB 3.39Å; I400-L408 HydrophobicContact CB-CB 4.47Å; I400-L408 PolarHBondContact N-O 2.96Å; I400-L408 PolarHBondContact O-N 2.97Å; I400-F479 HydrophobicContact CB-CE1 4.34Å; I400-F479 HydrophobicContact CB-CZ 4.29Å; I400-F479 HydrophobicContact CG2-CE1 3.84Å; I400-F479 HydrophobicContact CG2-CZ 3.79Å; I400-S484 WeakPolarHBondContact CA-O 3.4Å; I400-L485 HydrophobicContact CD1-CD1 4.13Å; I400-L485 HydrophobicContact CG1-CB 4.24Å; I400-L485 HydrophobicContact CG1-CD1 4.18Å; I400-L485 HydrophobicContact CG1-CG 4.03Å; I400-F517 HydrophobicContact CD1-CD2 3.29Å; I400-F517 HydrophobicContact CD1-CE2 3.35Å; I400-F517 HydrophobicContact CD1-CG 4.01Å; I400-F517 HydrophobicContact CD1-CZ 4.08Å
401	S	94.3	Very high	94	Very high	3 Å²	3	29.9 Å²	29.9	2%	0.021	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	159.9	175.4	61.6	0	0	0	0	111.4	K483 S484 E492	S401-K483 PolarHBondContact O-N 3.24Å; S401-S484 PolarHBondContact N-O 2.78Å; S401-S484 PolarHBondContact O-N 2.82Å; S401-S484 PolarHBondContact OG-N 3.43Å; S401-S484 PolarHBondContact OG-O 3.3Å; S401-E492 WeakPolarHBondContact CB-OE2 3.4Å; S401-E492 PolarHBondContact OG-OE2 3.14Å
402	S	92.6	Very high	94	Very high	11 Å²	11	25 Å²	25	8%	0.077	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	174.2	166.2	74.6	0	0	0	0	112.7	T404 D406 N480 S481	S402-T404 VanDerWaalsContact OG-C 3.27Å; S402-T404 WeakPolarHBondContact OG-CA 3.22Å; S402-T404 PolarHBondContact OG-N 3.14Å; S402-T404 PolarHBondContact OG-O 2.74Å; S402-T404 PolarHBondContact OG-OG1 3.5Å; S402-D406 WeakPolarHBondContact CB-O 3.46Å; S402-D406 PolarHBondContact N-O 2.78Å; S402-D406 PolarHBondContact OG-N 3.26Å; S402-D406 VanDerWaalsContact OG-N 3.14Å; S402-D406 PolarHBondContact OG-O 3.07Å; S402-N480 WeakPolarHBondContact CB-O 3.44Å; S402-S481 WeakPolarHBondContact CA-O 3.36Å; S402-S481 WeakPolarHBondContact CB-O 3.12Å
403	F	89.4	Confident	94	Very high	118 Å²	118	22.2 Å²	22.2	52%	0.518	13%	0.126	S	C	.	.	S	Bend	trans	-75.9	-12.6	165.1	-68.5	-75.7	0	0	0	112.9	S481 K483	F403-S481 WeakPolarHBondContact CD2-O 3.43Å; F403-S481 PolarHBondContact N-O 2.94Å; F403-K483 HydrophobicContact CD1-CB 4.3Å; F403-K483 HydrophobicContact CD1-CD 3.92Å; F403-K483 HydrophobicContact CD1-CG 4.03Å; F403-K483 HydrophobicContact CD2-CB 3.86Å; F403-K483 HydrophobicContact CD2-CG 4.32Å; F403-K483 HydrophobicContact CE1-CB 4.3Å; F403-K483 HydrophobicContact CE1-CD 3.91Å; F403-K483 HydrophobicContact CE1-CG 3.71Å; F403-K483 HydrophobicContact CE2-CB 3.86Å; F403-K483 HydrophobicContact CE2-CG 4.02Å; F403-K483 HydrophobicContact CG-CB 4.1Å; F403-K483 HydrophobicContact CG-CD 4.46Å; F403-K483 HydrophobicContact CG-CG 4.34Å; F403-K483 HydrophobicContact CZ-CB 4.1Å; F403-K483 HydrophobicContact CZ-CD 4.43Å; F403-K483 HydrophobicContact CZ-CG 3.72Å
404	T	88.6	Confident	93.9	Very high	69 Å²	69	24 Å²	24	42%	0.423	13%	0.134	S	C	.	.	S	Bend	trans	-93.1	-146.3	172.4	66.3	0	0	0	0	109.7	S402 D406 N480	S402-T404 VanDerWaalsContact OG-C 3.27Å; S402-T404 WeakPolarHBondContact OG-CA 3.22Å; S402-T404 PolarHBondContact OG-N 3.14Å; S402-T404 PolarHBondContact OG-O 2.74Å; S402-T404 PolarHBondContact OG-OG1 3.5Å; T404-D406 VanDerWaalsContact OG1-CG 3.25Å; T404-D406 PolarHBondContact OG1-N 3.02Å; T404-D406 PolarHBondContact OG1-OD1 3.05Å; T404-D406 PolarHBondContact OG1-OD2 3.4Å; T404-N480 HydrophobicContact CG2-CB 3.99Å
405	T	88.6	Confident	93.8	Very high	106 Å²	106	26.8 Å²	26.8	65%	0.65	15%	0.151	S	C	*	.	S	Bend	trans	-100	-0.5	171.6	51.3	0	0	0	0	113.1	N423	T405-N423 PolarHBondContact O-ND2 3.34Å
406	D	93.2	Very high	93.7	Very high	7 Å²	7	26.9 Å²	26.9	4%	0.037	15%	0.151	C	C	.	.			trans	-72.5	141.9	-174.5	-57.1	-1.2	0	0	0	110.3	S402 T404 N423 F479 N480	S402-D406 WeakPolarHBondContact CB-O 3.46Å; S402-D406 PolarHBondContact N-O 2.78Å; S402-D406 PolarHBondContact OG-N 3.26Å; S402-D406 VanDerWaalsContact OG-N 3.14Å; S402-D406 PolarHBondContact OG-O 3.07Å; T404-D406 VanDerWaalsContact OG1-CG 3.25Å; T404-D406 PolarHBondContact OG1-N 3.02Å; T404-D406 PolarHBondContact OG1-OD1 3.05Å; T404-D406 PolarHBondContact OG1-OD2 3.4Å; D406-N423 CarbonylContact C-O 3.6Å; D406-N423 WeakPolarHBondContact CA-O 3.18Å; D406-N423 VanDerWaalsContact CB-O 3.32Å; D406-N423 WeakPolarHBondContact CB-O 3.48Å; D406-F479 HydrophobicContact CB-CD2 3.53Å; D406-F479 HydrophobicContact CB-CE2 3.58Å; D406-N480 VanDerWaalsContact OD2-CB 3.31Å; D406-N480 WeakPolarHBondContact OD2-CB 3.31Å; D406-N480 PolarHBondContact OD2-N 2.89Å; D406-N480 PolarHBondContact OD2-ND2 3.43Å
407	F	94.4	Very high	93.6	Very high	11 Å²	11	27.6 Å²	27.6	5%	0.048	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	161.4	174.3	70.4	-95.3	0	0	0	111.9	Y399 I400 A409 R421 N423 P430 D497	Y399-F407 HydrophobicContact CE2-CB 3.79Å; Y399-F407 AromaticContact CE2-CD2 3.86Å; Y399-F407 HydrophobicContact CE2-CD2 3.86Å; Y399-F407 AromaticContact CE2-CG 3.97Å; Y399-F407 HydrophobicContact CE2-CG 3.97Å; I400-F407 VanDerWaalsContact O-CA 3.26Å; I400-F407 WeakPolarHBondContact O-CA 3.43Å; I400-F407 WeakPolarHBondContact O-CB 3.39Å; F407-A409 HydrophobicContact CD2-CB 4.38Å; F407-A409 HydrophobicContact CE2-CB 4.47Å; F407-R421 HydrophobicContact CE2-CB 4.43Å; F407-N423 HydrophobicContact CD1-CB 3.58Å; F407-N423 HydrophobicContact CE1-CB 3.4Å; F407-N423 HydrophobicContact CE2-CB 4.41Å; F407-N423 HydrophobicContact CG-CB 4.17Å; F407-N423 HydrophobicContact CZ-CB 3.86Å; F407-N423 PolarHBondContact N-O 3.27Å; F407-N423 PolarHBondContact O-N 3.13Å; F407-P430 HydrophobicContact CE1-CG 4.13Å; F407-P430 HydrophobicContact CZ-CB 3.99Å; F407-P430 HydrophobicContact CZ-CG 3.62Å; F407-D497 HydrophobicContact CE1-CB 4.04Å; F407-D497 HydrophobicContact CZ-CB 3.79Å
408	L	95.6	Very high	93.6	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	130.8	169.7	172.4	55.7	0	0	0	109.1	I384 Y399 I400 I420 R421 Y422 F479	I384-L408 HydrophobicContact CD1-CD2 3.16Å; I384-L408 HydrophobicContact CD1-CG 4.26Å; Y399-L408 CarbonylContact C-O 3.58Å; Y399-L408 WeakPolarHBondContact CA-O 3.29Å; I400-L408 HydrophobicContact CB-CB 4.47Å; I400-L408 PolarHBondContact N-O 2.96Å; I400-L408 PolarHBondContact O-N 2.97Å; L408-I420 HydrophobicContact CD1-CG2 3.95Å; L408-R421 WeakPolarHBondContact CA-O 3.49Å; L408-R421 WeakPolarHBondContact CD1-O 3.34Å; L408-Y422 HydrophobicContact CB-CE1 4.35Å; L408-Y422 HydrophobicContact CD1-CD1 3.88Å; L408-Y422 HydrophobicContact CD1-CD2 3.62Å; L408-Y422 HydrophobicContact CD1-CE1 3.63Å; L408-Y422 HydrophobicContact CD1-CE2 3.35Å; L408-Y422 HydrophobicContact CD1-CG 3.88Å; L408-Y422 HydrophobicContact CD2-CE1 3.72Å; L408-Y422 HydrophobicContact CD2-CE2 4.42Å; L408-Y422 WeakPolarHBondContact CD2-OH 3.25Å; L408-Y422 HydrophobicContact CG-CE1 4.12Å; L408-F479 HydrophobicContact CB-CE1 4.36Å
409	A	96.2	Very high	93.6	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	142.4	177.3	0	0	0	0	0	111.4	L398 Y399 F407 I420 R421 I500	L398-A409 WeakPolarHBondContact O-CA 3.4Å; Y399-A409 HydrophobicContact CD2-CB 3.94Å; F407-A409 HydrophobicContact CD2-CB 4.38Å; F407-A409 HydrophobicContact CE2-CB 4.47Å; A409-I420 WeakPolarHBondContact O-CA 3.29Å; A409-R421 HydrophobicContact CB-CB 4.4Å; A409-R421 PolarHBondContact N-O 2.66Å; A409-R421 PolarHBondContact O-N 3.12Å; A409-I500 HydrophobicContact CB-CD1 3.42Å; A409-I500 VanDerWaalsContact CB-CD1 3.42Å; A409-I500 HydrophobicContact CB-CG1 4.41Å
410	V	96.6	Very high	93.6	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	124.5	167.8	-168.6	0	0	0	0	108.4	F386 L397 L398 L418 I420 I450	F386-V410 HydrophobicContact CE1-CG1 4.46Å; F386-V410 HydrophobicContact CE1-CG2 4.34Å; F386-V410 HydrophobicContact CZ-CB 4.13Å; F386-V410 HydrophobicContact CZ-CG1 3.84Å; F386-V410 HydrophobicContact CZ-CG2 4.44Å; L397-V410 HydrophobicContact CD1-CG1 4.41Å; L397-V410 PolarHBondContact N-O 3.19Å; L398-V410 HydrophobicContact CD2-CG2 4.5Å; L398-V410 PolarHBondContact N-O 3.42Å; L398-V410 PolarHBondContact O-N 3.27Å; V410-L418 HydrophobicContact CG1-CD1 3.79Å; V410-L418 HydrophobicContact CG1-CG 4.31Å; V410-I420 HydrophobicContact CG1-CG1 4.16Å; V410-I420 HydrophobicContact CG2-CG1 4.37Å; V410-I420 HydrophobicContact CG2-CG2 4.47Å; V410-I450 HydrophobicContact CG2-CD1 3.72Å
411	L	95.3	Very high	93.5	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	159	-173	65.9	87.6	0	0	0	112	C395 I396 K413 Q419 R421 I500 Y503	C395-L411 CarbonylContact O-C 3.05Å; C395-L411 WeakPolarHBondContact O-CA 3.27Å; C395-L411 WeakPolarHBondContact O-CB 3.07Å; I396-L411 HydrophobicContact CG1-CB 4.49Å; L411-K413 HydrophobicContact CD1-CG 3.87Å; L411-Q419 HydrophobicContact CD1-CB 3.91Å; L411-Q419 HydrophobicContact CG-CB 4.25Å; L411-Q419 PolarHBondContact N-O 2.97Å; L411-Q419 PolarHBondContact O-N 2.69Å; L411-R421 HydrophobicContact CD2-CG 4.48Å; L411-I500 HydrophobicContact CD2-CD1 3.78Å; L411-Y503 HydrophobicContact CD1-CD2 3.87Å; L411-Y503 HydrophobicContact CD1-CE2 4.04Å; L411-Y503 HydrophobicContact CD2-CD2 4.06Å
412	V	94.8	Very high	93.6	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	122.8	170.9	-175.5	0	0	0	0	107.9	F388 A393 P394 C395 L397 L418 A441	F388-V412 HydrophobicContact CE2-CG2 4.19Å; F388-V412 HydrophobicContact CZ-CG2 4.48Å; A393-V412 HydrophobicContact CB-CG1 3.98Å; P394-V412 WeakPolarHBondContact CA-O 3.44Å; P394-V412 WeakPolarHBondContact CB-O 3.07Å; C395-V412 PolarHBondContact N-O 3.13Å; C395-V412 VanDerWaalsContact N-O 3.12Å; C395-V412 PolarHBondContact O-N 3.31Å; L397-V412 HydrophobicContact CD1-CG2 3.91Å; L397-V412 HydrophobicContact CD2-CG2 4.26Å; L397-V412 HydrophobicContact CG-CG2 4.17Å; V412-L418 HydrophobicContact CG2-CD1 4.4Å; V412-A441 HydrophobicContact CG1-CB 4.49Å
413	K	93.4	Very high	93.7	Very high	40 Å²	40	28.4 Å²	28.4	17%	0.174	16%	0.159	C	C	.	.			trans	-70.8	165	178.2	-69.1	-166.4	-59.8	-170	0	111.3	L411 T415 G416 S417 Q419 D434	L411-K413 HydrophobicContact CD1-CG 3.87Å; K413-T415 PolarHBondContact O-N 3.09Å; K413-G416 WeakPolarHBondContact O-CA 3.35Å; K413-G416 PolarHBondContact O-N 2.83Å; K413-S417 WeakPolarHBondContact CE-OG 3.47Å; K413-S417 PolarHBondContact N-O 3.29Å; K413-Q419 HydrophobicContact CD-CB 4.25Å; K413-Q419 HydrophobicContact CG-CB 4.08Å; K413-D434 WeakPolarHBondContact CE-OD1 3.07Å; K413-D434 VanDerWaalsContact NZ-CG 3.28Å; K413-D434 IonicContact NZ-OD1 2.69Å; K413-D434 PolarHBondContact NZ-OD1 3.06Å; K413-D434 IonicContact NZ-OD2 3.78Å
414	P	92.5	Very high	93.9	Very high	80 Å²	80	22.9 Å²	22.9	52%	0.519	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-24.9	175.1	-24.9	34.3	0	0	0	114	P394 G416 Y503	P394-P414 HydrophobicContact CB-CG 4.01Å; P394-P414 HydrophobicContact CG-CG 4.07Å; P414-G416 PolarHBondContact O-N 3.05Å; P414-Y503 HydrophobicContact CG-CE1 4Å
415	T	91.5	Very high	94	Very high	105 Å²	105	20.2 Å²	20.2	64%	0.644	12%	0.121	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-10	174.2	50.8	0	0	0	0	113.7	K413 S417	K413-T415 PolarHBondContact O-N 3.09Å; T415-S417 VanDerWaalsContact C-N 3.32Å; T415-S417 PolarHBondContact OG1-OG 2.89Å
416	G	92	Very high	93.9	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.01	12%	0.116	C	C	.	.	S	Bend	trans	84.1	-0.3	-173.8	0	0	0	0	0	114.6	K413 P414 N439 M440	K413-G416 WeakPolarHBondContact O-CA 3.35Å; K413-G416 PolarHBondContact O-N 2.83Å; P414-G416 PolarHBondContact O-N 3.05Å; G416-N439 VanDerWaalsContact CA-OD1 3.28Å; G416-N439 WeakPolarHBondContact CA-OD1 3.31Å; G416-M440 WeakPolarHBondContact O-CB 3.21Å; G416-M440 PolarHBondContact O-N 2.65Å
417	S	93.6	Very high	93.7	Very high	17 Å²	17	19 Å²	19	12%	0.119	13%	0.125	C	C	.	.			trans	-82.5	146.4	177.1	50.3	0	0	0	0	112.1	K413 T415	K413-S417 WeakPolarHBondContact CE-OG 3.47Å; K413-S417 PolarHBondContact N-O 3.29Å; T415-S417 VanDerWaalsContact C-N 3.32Å; T415-S417 PolarHBondContact OG1-OG 2.89Å
418	L	95.1	Very high	93.3	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	136.6	178.5	-170	72.9	0	0	0	109.9	F388 L397 V410 V412 V435 M440 V448 L461	F388-L418 HydrophobicContact CE1-CD1 4.33Å; F388-L418 HydrophobicContact CZ-CD1 4.24Å; L397-L418 HydrophobicContact CD1-CD1 3.76Å; V410-L418 HydrophobicContact CG1-CD1 3.79Å; V410-L418 HydrophobicContact CG1-CG 4.31Å; V412-L418 HydrophobicContact CG2-CD1 4.4Å; L418-V435 HydrophobicContact CB-CB 4.28Å; L418-V435 HydrophobicContact CB-CG2 4.44Å; L418-V435 HydrophobicContact CD2-CG2 4.48Å; L418-V435 WeakPolarHBondContact O-CB 3.33Å; L418-V435 PolarHBondContact O-N 2.98Å; L418-M440 HydrophobicContact CB-CG 4.37Å; L418-V448 HydrophobicContact CD2-CG1 4.43Å; L418-V448 HydrophobicContact CD2-CG2 4.11Å; L418-L461 HydrophobicContact CD2-CD1 3.92Å
419	Q	95.4	Very high	93	Very high	6 Å²	6	37.4 Å²	37.4	3%	0.028	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	134.2	174.4	-173.1	-176.6	63.7	0	0	110	L411 K413 R421 I433 D434	L411-Q419 HydrophobicContact CD1-CB 3.91Å; L411-Q419 HydrophobicContact CG-CB 4.25Å; L411-Q419 PolarHBondContact N-O 2.97Å; L411-Q419 PolarHBondContact O-N 2.69Å; K413-Q419 HydrophobicContact CD-CB 4.25Å; K413-Q419 HydrophobicContact CG-CB 4.08Å; Q419-R421 HydrophobicContact CG-CG 3.98Å; Q419-I433 WeakPolarHBondContact CA-O 2.93Å; Q419-D434 WeakPolarHBondContact CG-OD1 3.27Å; Q419-D434 PolarHBondContact NE2-OD1 2.89Å
420	I	96.1	Very high	92.8	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	133.3	173.7	-56.6	161.1	0	0	0	107.5	L408 A409 V410 Y422 I433 I450 L459	L408-I420 HydrophobicContact CD1-CG2 3.95Å; A409-I420 WeakPolarHBondContact O-CA 3.29Å; V410-I420 HydrophobicContact CG1-CG1 4.16Å; V410-I420 HydrophobicContact CG2-CG1 4.37Å; V410-I420 HydrophobicContact CG2-CG2 4.47Å; I420-Y422 HydrophobicContact CG2-CD2 3.98Å; I420-Y422 HydrophobicContact CG2-CE2 3.78Å; I420-I433 HydrophobicContact CB-CB 4.25Å; I420-I433 PolarHBondContact N-O 2.79Å; I420-I433 PolarHBondContact O-N 2.81Å; I420-I450 HydrophobicContact CD1-CD1 3.64Å; I420-I450 HydrophobicContact CD1-CG1 3.92Å; I420-I450 HydrophobicContact CG1-CD1 3.96Å; I420-I450 HydrophobicContact CG2-CD1 4.22Å; I420-L459 HydrophobicContact CD1-CD1 3.73Å; I420-L459 HydrophobicContact CD1-CD2 3.84Å; I420-L459 HydrophobicContact CD1-CG 4.28Å
421	R	95.6	Very high	92.7	Very high	11 Å²	11	41.6 Å²	41.6	4%	0.042	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	125.2	-175.8	-54	-172.1	73.7	-159.1	-8.1	110.4	F407 L408 A409 L411 Q419 Y431 N432 D497 E499	F407-R421 HydrophobicContact CE2-CB 4.43Å; L408-R421 WeakPolarHBondContact CA-O 3.49Å; L408-R421 WeakPolarHBondContact CD1-O 3.34Å; A409-R421 HydrophobicContact CB-CB 4.4Å; A409-R421 PolarHBondContact N-O 2.66Å; A409-R421 PolarHBondContact O-N 3.12Å; L411-R421 HydrophobicContact CD2-CG 4.48Å; Q419-R421 HydrophobicContact CG-CG 3.98Å; R421-Y431 WeakPolarHBondContact CA-O 3.15Å; R421-N432 WeakPolarHBondContact CG-OD1 3.47Å; R421-N432 PolarHBondContact NE-OD1 3.15Å; R421-D497 IonicContact CZ-OD1 3.61Å; R421-D497 IonicContact NH1-OD1 2.87Å; R421-D497 PolarHBondContact NH1-OD1 2.95Å; R421-D497 IonicContact NH2-OD1 3.79Å; R421-D497 IonicContact NH2-OD2 3.08Å; R421-E499 IonicContact CZ-OE2 3.42Å; R421-E499 IonicContact NE-OE2 3.5Å; R421-E499 IonicContact NH1-OE2 2.74Å; R421-E499 PolarHBondContact NH1-OE2 2.7Å; R421-E499 IonicContact NH2-OE2 3.14Å
422	Y	95.5	Very high	92.7	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.008	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	131.4	177.8	-88	-86.7	0	0	0	110.5	E382 L408 I420 L424 P430 Y431 I457	E382-Y422 WeakPolarHBondContact OE1-CE1 3.26Å; E382-Y422 PolarHBondContact OE1-OH 3.41Å; L408-Y422 HydrophobicContact CB-CE1 4.35Å; L408-Y422 HydrophobicContact CD1-CD1 3.88Å; L408-Y422 HydrophobicContact CD1-CD2 3.62Å; L408-Y422 HydrophobicContact CD1-CE1 3.63Å; L408-Y422 HydrophobicContact CD1-CE2 3.35Å; L408-Y422 HydrophobicContact CD1-CG 3.88Å; L408-Y422 HydrophobicContact CD2-CE1 3.72Å; L408-Y422 HydrophobicContact CD2-CE2 4.42Å; L408-Y422 WeakPolarHBondContact CD2-OH 3.25Å; L408-Y422 HydrophobicContact CG-CE1 4.12Å; I420-Y422 HydrophobicContact CG2-CD2 3.98Å; I420-Y422 HydrophobicContact CG2-CE2 3.78Å; Y422-L424 HydrophobicContact CD1-CD1 4.47Å; Y422-L424 HydrophobicContact CD1-CD2 4.05Å; Y422-L424 HydrophobicContact CD1-CG 4.25Å; Y422-P430 CarbonylContact O-C 3.55Å; Y422-P430 WeakPolarHBondContact O-CA 3.31Å; Y422-Y431 PolarHBondContact N-O 2.76Å; Y422-Y431 PolarHBondContact O-N 3.49Å; Y422-I457 HydrophobicContact CD2-CD1 3.59Å; Y422-I457 HydrophobicContact CE2-CD1 3.62Å; Y422-I457 HydrophobicContact CE2-CG1 4.22Å; Y422-I457 HydrophobicContact CE2-CG2 4.41Å; Y422-I457 HydrophobicContact CG-CD1 4.23Å
423	N	94.6	Very high	92.7	Very high	24 Å²	24	44.5 Å²	44.5	13%	0.128	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	107.5	164.3	-176.6	20	0	0	0	107.8	T405 D406 F407 P430	T405-N423 PolarHBondContact O-ND2 3.34Å; D406-N423 CarbonylContact C-O 3.6Å; D406-N423 WeakPolarHBondContact CA-O 3.18Å; D406-N423 VanDerWaalsContact CB-O 3.32Å; D406-N423 WeakPolarHBondContact CB-O 3.48Å; F407-N423 HydrophobicContact CD1-CB 3.58Å; F407-N423 HydrophobicContact CE1-CB 3.4Å; F407-N423 HydrophobicContact CE2-CB 4.41Å; F407-N423 HydrophobicContact CG-CB 4.17Å; F407-N423 HydrophobicContact CZ-CB 3.86Å; F407-N423 PolarHBondContact N-O 3.27Å; F407-N423 PolarHBondContact O-N 3.13Å; N423-P430 HydrophobicContact CB-CB 4.24Å; N423-P430 HydrophobicContact CB-CG 4.37Å
424	L	93.9	Very high	92.7	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.005	25%	0.247	C	C	.	.			trans	-110.9	1.2	-179.3	-59.3	-173.4	0	0	0	112.8	Y422 L471 D476 F479	Y422-L424 HydrophobicContact CD1-CD1 4.47Å; Y422-L424 HydrophobicContact CD1-CD2 4.05Å; Y422-L424 HydrophobicContact CD1-CG 4.25Å; L424-L471 HydrophobicContact CD1-CD1 3.55Å; L424-L471 HydrophobicContact CG-CD1 4.48Å; L424-D476 WeakPolarHBondContact O-CB 3.09Å; L424-F479 HydrophobicContact CD2-CB 3.74Å; L424-F479 HydrophobicContact CD2-CD2 4.14Å; L424-F479 HydrophobicContact CD2-CG 3.99Å
425	G	89.4	Confident	92.6	Very high	13 Å²	13	42.8 Å²	42.8	13%	0.134	22%	0.224	C	C	.	.	S	Bend	trans	96	168.6	-167.8	0	0	0	0	0	113.5	T427 D476	G425-T427 PolarHBondContact O-N 2.87Å; G425-T427 VanDerWaalsContact O-N 3.15Å; G425-D476 WeakPolarHBondContact CA-OD2 3.04Å; G425-D476 PolarHBondContact O-N 2.92Å; G425-D476 VanDerWaalsContact O-N 3.08Å
426	G	87.6	Confident	91.6	Very high	52 Å²	52	45.2 Å²	45.2	54%	0.536	23%	0.233	S	C	.	.	S	Bend	trans	80.6	-24.7	-179.7	0	0	0	0	0	116.2	S474 D476	G426-S474 CarbonylContact C-O 3.57Å; G426-S474 VanDerWaalsContact C-O 3.25Å; G426-S474 VanDerWaalsContact CA-O 3.24Å; G426-S474 WeakPolarHBondContact CA-O 3.43Å; G426-D476 PolarHBondContact N-OD2 2.79Å
427	T	88.4	Confident	90.6	Very high	36 Å²	36	48.4 Å²	48.4	22%	0.221	25%	0.247	C	C	.	.	S	Bend	trans	-104.5	154	175.3	61.1	0	0	0	0	112.8	G425 E429 P472	G425-T427 PolarHBondContact O-N 2.87Å; G425-T427 VanDerWaalsContact O-N 3.15Å; T427-E429 WeakPolarHBondContact CB-O 3.46Å; T427-E429 PolarHBondContact OG1-O 3.35Å; T427-P472 HydrophobicContact CG2-CB 4.39Å; T427-P472 HydrophobicContact CG2-CG 4.46Å
428	R	86.1	Confident	90	Very high	249 Å²	249	58.3 Å²	58.3	94%	0.94	28%	0.282	S	S	*	.	S	Bend	trans	-74.8	-31.9	175.5	-174	176.6	177.7	176.8	-0.6	112.6
429	E	89.4	Confident	89.8	Confident	149 Å²	149	62.3 Å²	62.3	70%	0.696	30%	0.303	S	S	*	.	S	Bend	trans	-125.4	151.7	179.7	-65.3	-174	170.4	0	0	110.3	T427	T427-E429 WeakPolarHBondContact CB-O 3.46Å; T427-E429 PolarHBondContact OG1-O 3.35Å
430	P	92.2	Very high	89.6	Confident	23 Å²	23	62.3 Å²	62.3	15%	0.149	30%	0.303	C	S	.	.			trans	-61.3	145.9	174.2	-20.9	32.6	0	0	0	112	F407 Y422 N423	F407-P430 HydrophobicContact CE1-CG 4.13Å; F407-P430 HydrophobicContact CZ-CB 3.99Å; F407-P430 HydrophobicContact CZ-CG 3.62Å; Y422-P430 CarbonylContact O-C 3.55Å; Y422-P430 WeakPolarHBondContact O-CA 3.31Å; N423-P430 HydrophobicContact CB-CB 4.24Å; N423-P430 HydrophobicContact CB-CG 4.37Å
431	Y	94.8	Very high	89.5	Confident	65 Å²	65	62.9 Å²	62.9	26%	0.255	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	124.1	172.3	-177.8	-108.6	0	0	0	110.4	R421 Y422 I433 H470 L471 P472	R421-Y431 WeakPolarHBondContact CA-O 3.15Å; Y422-Y431 PolarHBondContact N-O 2.76Å; Y422-Y431 PolarHBondContact O-N 3.49Å; Y431-I433 HydrophobicContact CD1-CD1 4.43Å; Y431-I433 HydrophobicContact CD1-CG1 3.99Å; Y431-I433 HydrophobicContact CE1-CD1 3.99Å; Y431-I433 HydrophobicContact CE1-CG1 3.48Å; Y431-I433 VanDerWaalsContact CE1-CG1 3.48Å; Y431-H470 PolarHBondContact OH-O 2.93Å; Y431-L471 HydrophobicContact CD1-CD2 3.56Å; Y431-L471 HydrophobicContact CE1-CD2 4.33Å; Y431-L471 HydrophobicContact CG-CD2 3.97Å; Y431-P472 HydrophobicContact CD2-CG 3.72Å; Y431-P472 HydrophobicContact CE2-CG 4.26Å; Y431-P472 HydrophobicContact CG-CG 4.33Å
432	N	94.8	Very high	89.3	Confident	58 Å²	58	65.6 Å²	65.6	31%	0.31	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	128.4	-177.5	-59.1	-19.8	0	0	0	110.3	R421	R421-N432 WeakPolarHBondContact CG-OD1 3.47Å; R421-N432 PolarHBondContact NE-OD1 3.15Å
433	I	95.1	Very high	89.1	Confident	2 Å²	2	67.2 Å²	67.2	1%	0.01	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	103	170	-58.8	168.5	0	0	0	106.9	Q419 I420 Y431 V435 I457 Y469	Q419-I433 WeakPolarHBondContact CA-O 2.93Å; I420-I433 HydrophobicContact CB-CB 4.25Å; I420-I433 PolarHBondContact N-O 2.79Å; I420-I433 PolarHBondContact O-N 2.81Å; Y431-I433 HydrophobicContact CD1-CD1 4.43Å; Y431-I433 HydrophobicContact CD1-CG1 3.99Å; Y431-I433 HydrophobicContact CE1-CD1 3.99Å; Y431-I433 HydrophobicContact CE1-CG1 3.48Å; Y431-I433 VanDerWaalsContact CE1-CG1 3.48Å; I433-V435 HydrophobicContact CG2-CG2 4.29Å; I433-I457 HydrophobicContact CD1-CB 4.4Å; I433-I457 HydrophobicContact CD1-CD1 3.83Å; I433-I457 HydrophobicContact CD1-CG2 4.11Å; I433-Y469 HydrophobicContact CD1-CD2 4.16Å; I433-Y469 HydrophobicContact CD1-CG 3.95Å; I433-Y469 HydrophobicContact CG1-CD1 4.37Å; I433-Y469 HydrophobicContact CG1-CG 4.2Å; I433-Y469 HydrophobicContact CG2-CD1 3.79Å; I433-Y469 HydrophobicContact CG2-CD2 3.87Å; I433-Y469 HydrophobicContact CG2-CE1 3.62Å; I433-Y469 HydrophobicContact CG2-CE2 3.7Å; I433-Y469 HydrophobicContact CG2-CG 3.91Å
434	D	92.8	Very high	88.9	Confident	80 Å²	80	72 Å²	72	43%	0.428	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	114.6	172.8	-71.9	-54.9	0	0	0	109.6	K413 Q419 D436	K413-D434 WeakPolarHBondContact CE-OD1 3.07Å; K413-D434 VanDerWaalsContact NZ-CG 3.28Å; K413-D434 IonicContact NZ-OD1 2.69Å; K413-D434 PolarHBondContact NZ-OD1 3.06Å; K413-D434 IonicContact NZ-OD2 3.78Å; Q419-D434 WeakPolarHBondContact CG-OD1 3.27Å; Q419-D434 PolarHBondContact NE2-OD1 2.89Å; D434-D436 PolarHBondContact O-N 2.94Å
435	V	90.4	Very high	88.8	Confident	5 Å²	5	75.3 Å²	75.3	3%	0.03	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	106.3	-177.9	-167.5	0	0	0	0	108.3	L418 I433 H437 L459 L461	L418-V435 HydrophobicContact CB-CB 4.28Å; L418-V435 HydrophobicContact CB-CG2 4.44Å; L418-V435 HydrophobicContact CD2-CG2 4.48Å; L418-V435 WeakPolarHBondContact O-CB 3.33Å; L418-V435 PolarHBondContact O-N 2.98Å; I433-V435 HydrophobicContact CG2-CG2 4.29Å; V435-H437 VanDerWaalsContact C-N 3.3Å; V435-H437 WeakPolarHBondContact CG1-CD2 3.26Å; V435-H437 PolarHBondContact O-N 3.08Å; V435-L459 HydrophobicContact CB-CD2 4.46Å; V435-L459 HydrophobicContact CG1-CD2 4.08Å; V435-L459 HydrophobicContact CG2-CD2 3.47Å; V435-L459 VanDerWaalsContact CG2-CD2 3.47Å; V435-L461 HydrophobicContact CG1-CD2 4.33Å
436	D	72.1	Confident	88.9	Confident	156 Å²	156	75.4 Å²	75.4	83%	0.834	38%	0.381	S	S	*	.			trans	-81.3	76.4	-174.9	-158.8	15.2	0	0	0	111.6	D434	D434-D436 PolarHBondContact O-N 2.94Å
437	H	69.8	Low	89.2	Confident	68 Å²	68	75 Å²	75	32%	0.315	37%	0.37	S	S	.	.			trans	-126.1	168.3	172.9	-72.9	-49	0	0	0	110.2	V435 M440 L461	V435-H437 VanDerWaalsContact C-N 3.3Å; V435-H437 WeakPolarHBondContact CG1-CD2 3.26Å; V435-H437 PolarHBondContact O-N 3.08Å; H437-M440 HydrophobicContact CB-CE 3.14Å; H437-L461 WeakPolarHBondContact CD2-CD2 3.25Å
438	R	81.7	Confident	89.6	Confident	225 Å²	225	73.3 Å²	73.3	85%	0.849	36%	0.359	S	S	*	.	S	Bend	trans	-52.7	162.1	177.3	-64	-178.4	-179.6	-161.4	-0.1	111.4	M440	R438-M440 WeakPolarHBondContact O-CE 3.29Å; R438-M440 PolarHBondContact O-N 2.79Å
439	N	90.3	Very high	90.1	Very high	83 Å²	83	63.3 Å²	63.3	44%	0.444	33%	0.325	S	S	.	.			trans	-48.8	116.1	175.6	-178.9	4.8	0	0	0	111.6	G416 A441 N442	G416-N439 VanDerWaalsContact CA-OD1 3.28Å; G416-N439 WeakPolarHBondContact CA-OD1 3.31Å; N439-A441 WeakPolarHBondContact OD1-CA 3.38Å; N439-A441 WeakPolarHBondContact OD1-CB 3.34Å; N439-A441 PolarHBondContact OD1-N 3.27Å; N439-N442 PolarHBondContact O-ND2 3.23Å
440	M	92.2	Very high	90.5	Very high	7 Å²	7	56.2 Å²	56.2	3%	0.034	29%	0.291	C	S	.	.	S	Bend	trans	-84.3	-15.6	179.7	-60.8	-63.6	169.1	0	0	112.8	F388 G416 L418 H437 R438 N442 H446 L461	F388-M440 HydrophobicContact CE2-CB 4.31Å; F388-M440 HydrophobicContact CZ-CB 4.02Å; G416-M440 WeakPolarHBondContact O-CB 3.21Å; G416-M440 PolarHBondContact O-N 2.65Å; L418-M440 HydrophobicContact CB-CG 4.37Å; H437-M440 HydrophobicContact CB-CE 3.14Å; R438-M440 WeakPolarHBondContact O-CE 3.29Å; R438-M440 PolarHBondContact O-N 2.79Å; M440-N442 PolarHBondContact O-N 2.88Å; M440-N442 VanDerWaalsContact O-N 3.12Å; M440-H446 PolarHBondContact O-CD2 2.89Å; M440-L461 HydrophobicContact CE-CD2 3.38Å; M440-L461 HydrophobicContact SD-CD2 4.25Å
441	A	93.1	Very high	90.7	Very high	12 Å²	12	56.2 Å²	56.2	10%	0.099	29%	0.291	C	S	.	.			trans	-85.6	49.3	172.9	0	0	0	0	0	110.9	T390 A393 V412 N439	T390-A441 HydrophobicContact CG2-CB 4.18Å; T390-A441 CarbonylContact O-C 3.56Å; T390-A441 WeakPolarHBondContact O-CA 3.42Å; A393-A441 HydrophobicContact CB-CB 3.96Å; V412-A441 HydrophobicContact CG1-CB 4.49Å; N439-A441 WeakPolarHBondContact OD1-CA 3.38Å; N439-A441 WeakPolarHBondContact OD1-CB 3.34Å; N439-A441 PolarHBondContact OD1-N 3.27Å
442	N	92.2	Very high	90.8	Very high	67 Å²	67	53.1 Å²	53.1	36%	0.358	28%	0.279	S	S	.	.	S	Bend	trans	-102	3	-175.3	62.6	32.4	0	0	0	113.4	T390 N439 M440 Q444 H446	T390-N442 PolarHBondContact O-N 2.92Å; N439-N442 PolarHBondContact O-ND2 3.23Å; M440-N442 PolarHBondContact O-N 2.88Å; M440-N442 VanDerWaalsContact O-N 3.12Å; N442-Q444 VanDerWaalsContact C-N 3.29Å; N442-Q444 PolarHBondContact O-N 2.76Å; N442-Q444 WeakPolarHBondContact OD1-CA 2.92Å; N442-Q444 VanDerWaalsContact OD1-CB 3.22Å; N442-Q444 WeakPolarHBondContact OD1-CB 3.3Å; N442-Q444 PolarHBondContact OD1-N 3.16Å; N442-H446 PolarHBondContact ND2-NE2 2.85Å; N442-H446 PolarHBondContact OD1-NE2 3.13Å
443	G	90.6	Very high	90.9	Very high	37 Å²	37	53.9 Å²	53.9	38%	0.381	28%	0.28	S	S	.	.	S	Bend	trans	81.1	-5.4	-178.3	0	0	0	0	0	115.6	T390	T390-G443 WeakPolarHBondContact O-CA 3.2Å; T390-G443 PolarHBondContact O-N 3.32Å
444	Q	90.6	Very high	90.8	Very high	125 Å²	125	59.6 Å²	59.6	58%	0.584	31%	0.307	S	S	*	.	S	Bend	trans	-85.5	154	175.8	-58.1	-175.4	7.9	0	0	111.2	S389 N442 H446	S389-Q444 WeakPolarHBondContact CB-O 3.02Å; N442-Q444 VanDerWaalsContact C-N 3.29Å; N442-Q444 PolarHBondContact O-N 2.76Å; N442-Q444 WeakPolarHBondContact OD1-CA 2.92Å; N442-Q444 VanDerWaalsContact OD1-CB 3.22Å; N442-Q444 WeakPolarHBondContact OD1-CB 3.3Å; N442-Q444 PolarHBondContact OD1-N 3.16Å; Q444-H446 PolarHBondContact O-CD2 2.77Å; Q444-H446 PolarHBondContact O-N 2.75Å
445	P	91.1	Very high	90.9	Very high	70 Å²	70	58.8 Å²	58.8	46%	0.455	30%	0.3	S	S	.	.			trans	-73.2	125.6	173.7	28.8	-32.9	0	0	0	111.1	F388	F388-P445 WeakPolarHBondContact O-CA 3.38Å
446	H	92.4	Very high	91.2	Very high	15 Å²	15	60.3 Å²	60.3	7%	0.069	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	139.9	174.2	-68.6	-69.9	0	0	0	110.8	S387 F388 M440 N442 Q444 D462	S387-H446 CarbonylContact C-O 3.51Å; S387-H446 WeakPolarHBondContact CA-O 3.21Å; S387-H446 VanDerWaalsContact CB-O 3.3Å; S387-H446 WeakPolarHBondContact CB-O 3.23Å; F388-H446 HydrophobicContact CD1-CB 4.2Å; F388-H446 HydrophobicContact CE1-CB 3.76Å; F388-H446 HydrophobicContact CZ-CB 3.98Å; F388-H446 PolarHBondContact N-O 3.38Å; F388-H446 PolarHBondContact O-N 3.32Å; M440-H446 PolarHBondContact O-CD2 2.89Å; N442-H446 PolarHBondContact ND2-NE2 2.85Å; N442-H446 PolarHBondContact OD1-NE2 3.13Å; Q444-H446 PolarHBondContact O-CD2 2.77Å; Q444-H446 PolarHBondContact O-N 2.75Å; H446-D462 WeakPolarHBondContact CA-OD1 3.46Å; H446-D462 IonicContact CE1-OD2 3.73Å; H446-D462 IonicContact CG-OD1 3.78Å; H446-D462 IonicContact CG-OD2 3.68Å; H446-D462 IonicContact ND1-OD1 2.78Å; H446-D462 PolarHBondContact ND1-OD1 2.76Å; H446-D462 IonicContact ND1-OD2 3.38Å; H446-D462 PolarHBondContact ND1-OD2 3.44Å
447	S	93.6	Very high	92.4	Very high	43 Å²	43	52.9 Å²	52.9	30%	0.301	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	128.2	179.6	-160.6	0	0	0	0	111.1	S387 L461 D462	S387-S447 WeakPolarHBondContact OG-CA 3.48Å; S387-S447 PolarHBondContact OG-OG 2.89Å; S387-S447 VanDerWaalsContact OG-OG 3.09Å; S447-L461 CarbonylContact O-C 3.23Å; S447-L461 WeakPolarHBondContact O-CA 3.31Å; S447-D462 PolarHBondContact N-OD1 3.2Å; S447-D462 PolarHBondContact O-N 3.47Å
448	V	95.6	Very high	93.7	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	122.4	-177.8	-174.5	0	0	0	0	108.5	R385 F386 F388 L418 I450 L459 L461	R385-V448 WeakPolarHBondContact CA-O 3.38Å; F386-V448 HydrophobicContact CD1-CB 4.15Å; F386-V448 HydrophobicContact CE1-CB 3.74Å; F386-V448 HydrophobicContact CE1-CG1 3.78Å; F386-V448 HydrophobicContact CE1-CG2 4.37Å; F386-V448 HydrophobicContact CE2-CB 4.25Å; F386-V448 HydrophobicContact CE2-CG2 4.1Å; F386-V448 HydrophobicContact CZ-CB 3.8Å; F386-V448 HydrophobicContact CZ-CG1 4Å; F386-V448 HydrophobicContact CZ-CG2 3.91Å; F386-V448 PolarHBondContact N-O 3.09Å; F386-V448 PolarHBondContact O-N 3.41Å; F388-V448 HydrophobicContact CD1-CG2 4.01Å; F388-V448 HydrophobicContact CE1-CG2 3.66Å; L418-V448 HydrophobicContact CD2-CG1 4.43Å; L418-V448 HydrophobicContact CD2-CG2 4.11Å; V448-I450 HydrophobicContact CG1-CD1 3.95Å; V448-I450 HydrophobicContact CG1-CG1 3.93Å; V448-L459 HydrophobicContact CG1-CD1 4.11Å; V448-L461 HydrophobicContact CG2-CD1 3.73Å
449	N	96.9	Very high	94.4	Very high	40 Å²	40	42.9 Å²	42.9	21%	0.214	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	120.4	170	-175.5	-1.8	0	0	0	109.7	I384 R385 L459 K460	I384-N449 CarbonylContact O-C 3.54Å; I384-N449 WeakPolarHBondContact O-CA 3.43Å; I384-N449 PolarHBondContact O-OD1 3.46Å; R385-N449 HydrophobicContact CG-CB 4.36Å; N449-L459 WeakPolarHBondContact O-CA 3.4Å; N449-K460 HydrophobicContact CB-CB 4.29Å; N449-K460 PolarHBondContact N-O 3.43Å; N449-K460 PolarHBondContact O-N 3.47Å
450	I	97.6	Very high	94.7	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	123.4	179.6	-56.9	162.7	0	0	0	107.3	E383 I384 V410 I420 V448 I457 F458 L459	E383-I450 CarbonylContact C-O 3.55Å; E383-I450 WeakPolarHBondContact CA-O 3.26Å; I384-I450 HydrophobicContact CB-CB 4.3Å; I384-I450 PolarHBondContact N-O 3.02Å; I384-I450 PolarHBondContact O-N 2.02Å; V410-I450 HydrophobicContact CG2-CD1 3.72Å; I420-I450 HydrophobicContact CD1-CD1 3.64Å; I420-I450 HydrophobicContact CD1-CG1 3.92Å; I420-I450 HydrophobicContact CG1-CD1 3.96Å; I420-I450 HydrophobicContact CG2-CD1 4.22Å; V448-I450 HydrophobicContact CG1-CD1 3.95Å; V448-I450 HydrophobicContact CG1-CG1 3.93Å; I450-I457 HydrophobicContact CG2-CG2 3.94Å; I450-F458 CarbonylContact C-O 3.53Å; I450-F458 WeakPolarHBondContact CA-O 3.16Å; I450-L459 HydrophobicContact CG1-CD1 3.86Å
451	T	97.4	Very high	94.7	Very high	22 Å²	22	43.7 Å²	43.7	14%	0.135	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	119	173.5	-44.8	0	0	0	0	108.6	E382 E383 H453 F458	E382-T451 WeakPolarHBondContact O-CA 3.36Å; E383-T451 HydrophobicContact CB-CG2 4.48Å; T451-H453 WeakPolarHBondContact CG2-NE2 3.05Å; T451-F458 PolarHBondContact N-O 3.04Å; T451-F458 PolarHBondContact O-N 3.31Å
452	R	96.4	Very high	94.7	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	133.7	174.1	-173.9	-175.2	67.3	89.6	0.9	109.8	L379 A380 Q381 E382 E454 T456 I457 T477	L379-R452 PolarHBondContact O-NH2 3.15Å; A380-R452 PolarHBondContact O-NH1 3.03Å; Q381-R452 WeakPolarHBondContact CA-O 3.35Å; Q381-R452 VanDerWaalsContact CG-O 3.27Å; Q381-R452 WeakPolarHBondContact CG-O 2.95Å; E382-R452 PolarHBondContact N-O 3.27Å; E382-R452 PolarHBondContact O-N 2.69Å; E382-R452 VanDerWaalsContact OE1-CB 3.24Å; E382-R452 WeakPolarHBondContact OE1-CB 3.26Å; E382-R452 WeakPolarHBondContact OE1-CD 3.18Å; E382-R452 IonicContact OE1-CZ 3.88Å; E382-R452 IonicContact OE1-NE 3.73Å; E382-R452 PolarHBondContact OE1-NE 2.83Å; E382-R452 IonicContact OE1-NH2 3.29Å; E382-R452 IonicContact OE2-CZ 2.82Å; E382-R452 IonicContact OE2-NE 2.76Å; E382-R452 PolarHBondContact OE2-NE 3.19Å; E382-R452 IonicContact OE2-NH2 3.47Å; E382-R452 PolarHBondContact OE2-NH2 3.29Å; R452-E454 WeakPolarHBondContact CD-O 3.04Å; R452-E454 WeakPolarHBondContact CG-O 3.31Å; R452-E454 PolarHBondContact NH1-O 2.97Å; R452-T456 CarbonylContact C-O 3.52Å; R452-T456 WeakPolarHBondContact CA-O 3.41Å; R452-I457 HydrophobicContact CB-CG1 4.14Å; R452-I457 HydrophobicContact CG-CG1 3.76Å; R452-T477 PolarHBondContact NH1-O 3.36Å
453	H	96.4	Very high	94.4	Very high	75 Å²	75	50.6 Å²	50.6	35%	0.347	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	108.6	166.4	-63.4	-93.4	0	0	0	108.1	Q381 T451 K455 T456 F458	Q381-H453 PolarHBondContact NE2-CE1 3.29Å; Q381-H453 PolarHBondContact OE1-CE1 3.13Å; Q381-H453 PolarHBondContact OE1-ND1 3.39Å; Q381-H453 VanDerWaalsContact OE1-ND1 3.16Å; T451-H453 WeakPolarHBondContact CG2-NE2 3.05Å; H453-K455 PolarHBondContact O-N 2.01Å; H453-T456 PolarHBondContact N-O 3.16Å; H453-T456 PolarHBondContact O-N 3.06Å; H453-F458 AromaticContact CD2-CE2 3.94Å
454	E	94	Very high	94.4	Very high	122 Å²	122	54.8 Å²	54.8	57%	0.57	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.2	-111.2	-175.4	-56.5	179.8	171.5	0	0	111.3	A380 R452	A380-E454 PolarHBondContact O-N 3.37Å; R452-E454 WeakPolarHBondContact CD-O 3.04Å; R452-E454 WeakPolarHBondContact CG-O 3.31Å; R452-E454 PolarHBondContact NH1-O 2.97Å
455	K	94.5	Very high	94.4	Very high	63 Å²	63	53.9 Å²	53.9	27%	0.274	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-10.4	179.6	-59.6	-163.8	178.7	-167.4	0	113.9	H453 H470 L471 S473 S475 T477	H453-K455 PolarHBondContact O-N 2.01Å; K455-H470 CarbonylContact O-C 3.51Å; K455-H470 WeakPolarHBondContact O-CA 3.31Å; K455-L471 HydrophobicContact CB-CB 4.15Å; K455-L471 PolarHBondContact O-N 3.31Å; K455-S473 PolarHBondContact NZ-O 3.41Å; K455-S475 VanDerWaalsContact CE-O 3.22Å; K455-S475 WeakPolarHBondContact CE-O 3.42Å; K455-S475 PolarHBondContact NZ-O 2.74Å; K455-T477 HydrophobicContact CD-CG2 4.3Å; K455-T477 VanDerWaalsContact CE-CG2 3.42Å; K455-T477 HydrophobicContact CG-CG2 3.84Å
456	T	96.6	Very high	94.5	Very high	36 Å²	36	53.8 Å²	53.8	22%	0.221	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	127	-173.6	-53.8	0	0	0	0	110.3	R452 H453 F458	R452-T456 CarbonylContact C-O 3.52Å; R452-T456 WeakPolarHBondContact CA-O 3.41Å; H453-T456 PolarHBondContact N-O 3.16Å; H453-T456 PolarHBondContact O-N 3.06Å; T456-F458 HydrophobicContact CG2-CD2 4.36Å; T456-F458 HydrophobicContact CG2-CE1 4.26Å; T456-F458 HydrophobicContact CG2-CE2 3.69Å; T456-F458 HydrophobicContact CG2-CZ 3.64Å
457	I	97.3	Very high	94.6	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	122.2	179.7	-61.7	161.9	0	0	0	108.3	Y422 I433 I450 R452 S468 Y469 L471	Y422-I457 HydrophobicContact CD2-CD1 3.59Å; Y422-I457 HydrophobicContact CE2-CD1 3.62Å; Y422-I457 HydrophobicContact CE2-CG1 4.22Å; Y422-I457 HydrophobicContact CE2-CG2 4.41Å; Y422-I457 HydrophobicContact CG-CD1 4.23Å; I433-I457 HydrophobicContact CD1-CB 4.4Å; I433-I457 HydrophobicContact CD1-CD1 3.83Å; I433-I457 HydrophobicContact CD1-CG2 4.11Å; I450-I457 HydrophobicContact CG2-CG2 3.94Å; R452-I457 HydrophobicContact CB-CG1 4.14Å; R452-I457 HydrophobicContact CG-CG1 3.76Å; I457-S468 CarbonylContact O-C 3.52Å; I457-S468 VanDerWaalsContact O-CA 3.32Å; I457-S468 WeakPolarHBondContact O-CA 3.15Å; I457-Y469 PolarHBondContact N-O 3Å; I457-Y469 PolarHBondContact O-N 3.09Å; I457-L471 HydrophobicContact CD1-CD1 4.44Å; I457-L471 HydrophobicContact CD1-CD2 3.88Å; I457-L471 HydrophobicContact CD1-CG 3.9Å
458	F	97.6	Very high	94.8	Very high	79 Å²	79	57.3 Å²	57.3	35%	0.346	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	123.8	172	-61.1	-82.3	0	0	0	109.2	I450 T451 H453 T456	I450-F458 CarbonylContact C-O 3.53Å; I450-F458 WeakPolarHBondContact CA-O 3.16Å; T451-F458 PolarHBondContact N-O 3.04Å; T451-F458 PolarHBondContact O-N 3.31Å; H453-F458 AromaticContact CD2-CE2 3.94Å; T456-F458 HydrophobicContact CG2-CD2 4.36Å; T456-F458 HydrophobicContact CG2-CE1 4.26Å; T456-F458 HydrophobicContact CG2-CE2 3.69Å; T456-F458 HydrophobicContact CG2-CZ 3.64Å
459	L	96.3	Very high	94.8	Very high	5 Å²	5	60 Å²	60	3%	0.026	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	122.4	176.1	172	64	0	0	0	109.4	I420 V435 V448 N449 I450 S466 V467 Y469	I420-L459 HydrophobicContact CD1-CD1 3.73Å; I420-L459 HydrophobicContact CD1-CD2 3.84Å; I420-L459 HydrophobicContact CD1-CG 4.28Å; V435-L459 HydrophobicContact CB-CD2 4.46Å; V435-L459 HydrophobicContact CG1-CD2 4.08Å; V435-L459 HydrophobicContact CG2-CD2 3.47Å; V435-L459 VanDerWaalsContact CG2-CD2 3.47Å; V448-L459 HydrophobicContact CG1-CD1 4.11Å; N449-L459 WeakPolarHBondContact O-CA 3.4Å; I450-L459 HydrophobicContact CG1-CD1 3.86Å; L459-S466 CarbonylContact O-C 3.59Å; L459-S466 WeakPolarHBondContact O-CA 3.44Å; L459-V467 PolarHBondContact N-O 2.82Å; L459-V467 PolarHBondContact O-N 3.08Å; L459-Y469 HydrophobicContact CB-CD2 4.43Å; L459-Y469 HydrophobicContact CB-CE2 4.11Å; L459-Y469 HydrophobicContact CD2-CE2 4.15Å
460	K	95.6	Very high	94.8	Very high	101 Å²	101	63.5 Å²	63.5	44%	0.439	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	117	165.5	-177.6	-178.1	179.5	-177.3	0	108.8	N449	N449-K460 HydrophobicContact CB-CB 4.29Å; N449-K460 PolarHBondContact N-O 3.43Å; N449-K460 PolarHBondContact O-N 3.47Å
461	L	93.6	Very high	94.6	Very high	5 Å²	5	64 Å²	64	3%	0.026	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	127.8	174.7	-172.5	70.7	0	0	0	109.6	L418 V435 H437 M440 S447 V448 H463 Y464	L418-L461 HydrophobicContact CD2-CD1 3.92Å; V435-L461 HydrophobicContact CG1-CD2 4.33Å; H437-L461 WeakPolarHBondContact CD2-CD2 3.25Å; M440-L461 HydrophobicContact CE-CD2 3.38Å; M440-L461 HydrophobicContact SD-CD2 4.25Å; S447-L461 CarbonylContact O-C 3.23Å; S447-L461 WeakPolarHBondContact O-CA 3.31Å; V448-L461 HydrophobicContact CG2-CD1 3.73Å; L461-H463 PolarHBondContact O-N 3.41Å; L461-Y464 VanDerWaalsContact O-CB 3.3Å; L461-Y464 WeakPolarHBondContact O-CB 3.34Å; L461-Y464 WeakPolarHBondContact O-CD2 3.08Å; L461-Y464 PolarHBondContact O-N 3.02Å
462	D	91.6	Very high	94.5	Very high	35 Å²	35	65 Å²	65	19%	0.187	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	48.7	-128	-177.1	-59.7	-31.7	0	0	0	112.1	H446 S447 Y464	H446-D462 WeakPolarHBondContact CA-OD1 3.46Å; H446-D462 IonicContact CE1-OD2 3.73Å; H446-D462 IonicContact CG-OD1 3.78Å; H446-D462 IonicContact CG-OD2 3.68Å; H446-D462 IonicContact ND1-OD1 2.78Å; H446-D462 PolarHBondContact ND1-OD1 2.76Å; H446-D462 IonicContact ND1-OD2 3.38Å; H446-D462 PolarHBondContact ND1-OD2 3.44Å; S447-D462 PolarHBondContact N-OD1 3.2Å; S447-D462 PolarHBondContact O-N 3.47Å; D462-Y464 HydrophobicContact CB-CD2 4.19Å; D462-Y464 HydrophobicContact CB-CE2 4.47Å
463	H	87.3	Confident	94.2	Very high	190 Å²	190	70.4 Å²	70.4	88%	0.88	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.9	7.4	176	-61.1	86.9	0	0	0	112.3	L461	L461-H463 PolarHBondContact O-N 3.41Å
464	Y	89.1	Confident	94	Very high	124 Å²	124	70.5 Å²	70.5	49%	0.486	38%	0.376	S	S	.	.	S	Bend	trans	-70	152.3	176.7	-64.6	-79.3	0	0	0	110.6	L461 D462	L461-Y464 VanDerWaalsContact O-CB 3.3Å; L461-Y464 WeakPolarHBondContact O-CB 3.34Å; L461-Y464 WeakPolarHBondContact O-CD2 3.08Å; L461-Y464 PolarHBondContact O-N 3.02Å; D462-Y464 HydrophobicContact CB-CD2 4.19Å; D462-Y464 HydrophobicContact CB-CE2 4.47Å
465	P	90.9	Very high	94	Very high	107 Å²	107	64.9 Å²	64.9	70%	0.695	35%	0.35	S	S	*	.	P	Polyproline II helix	trans	-56.1	148.9	172.9	-24	34.2	0	0	0	111.9
466	S	93.7	Very high	94	Very high	68 Å²	68	65.6 Å²	65.6	48%	0.476	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-65.6	134.4	175.5	-171	0	0	0	0	110.7	L459	L459-S466 CarbonylContact O-C 3.59Å; L459-S466 WeakPolarHBondContact O-CA 3.44Å
467	V	95.4	Very high	93.8	Very high	68 Å²	68	66.4 Å²	66.4	41%	0.412	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	134.7	178.5	-176.5	0	0	0	0	109.1	L459 Y469	L459-V467 PolarHBondContact N-O 2.82Å; L459-V467 PolarHBondContact O-N 3.08Å; V467-Y469 HydrophobicContact CB-CE2 4.05Å; V467-Y469 HydrophobicContact CG1-CD2 4.42Å; V467-Y469 HydrophobicContact CG1-CE2 3.71Å
468	S	96.6	Very high	93.7	Very high	64 Å²	64	69.3 Å²	69.3	45%	0.448	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	131.7	178.6	62.7	0	0	0	0	112.1	I457	I457-S468 CarbonylContact O-C 3.52Å; I457-S468 VanDerWaalsContact O-CA 3.32Å; I457-S468 WeakPolarHBondContact O-CA 3.15Å
469	Y	96.3	Very high	93.5	Very high	57 Å²	57	65.6 Å²	65.6	22%	0.224	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	157	171.5	-59.8	-88.7	0	0	0	109.7	I433 I457 L459 V467	I433-Y469 HydrophobicContact CD1-CD2 4.16Å; I433-Y469 HydrophobicContact CD1-CG 3.95Å; I433-Y469 HydrophobicContact CG1-CD1 4.37Å; I433-Y469 HydrophobicContact CG1-CG 4.2Å; I433-Y469 HydrophobicContact CG2-CD1 3.79Å; I433-Y469 HydrophobicContact CG2-CD2 3.87Å; I433-Y469 HydrophobicContact CG2-CE1 3.62Å; I433-Y469 HydrophobicContact CG2-CE2 3.7Å; I433-Y469 HydrophobicContact CG2-CG 3.91Å; I457-Y469 PolarHBondContact N-O 3Å; I457-Y469 PolarHBondContact O-N 3.09Å; L459-Y469 HydrophobicContact CB-CD2 4.43Å; L459-Y469 HydrophobicContact CB-CE2 4.11Å; L459-Y469 HydrophobicContact CD2-CE2 4.15Å; V467-Y469 HydrophobicContact CB-CE2 4.05Å; V467-Y469 HydrophobicContact CG1-CD2 4.42Å; V467-Y469 HydrophobicContact CG1-CE2 3.71Å
470	H	95.8	Very high	93.3	Very high	112 Å²	112	67 Å²	67	52%	0.519	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	128.1	-178.9	-66.9	69.3	0	0	0	109.6	Y431 K455	Y431-H470 PolarHBondContact OH-O 2.93Å; K455-H470 CarbonylContact O-C 3.51Å; K455-H470 WeakPolarHBondContact O-CA 3.31Å
471	L	94.8	Very high	93.1	Very high	10 Å²	10	64 Å²	64	5%	0.052	36%	0.36	C	S	.	.			trans	-62.7	148.6	172.7	-70.9	173.9	0	0	0	110.3	L424 Y431 K455 I457	L424-L471 HydrophobicContact CD1-CD1 3.55Å; L424-L471 HydrophobicContact CG-CD1 4.48Å; Y431-L471 HydrophobicContact CD1-CD2 3.56Å; Y431-L471 HydrophobicContact CE1-CD2 4.33Å; Y431-L471 HydrophobicContact CG-CD2 3.97Å; K455-L471 HydrophobicContact CB-CB 4.15Å; K455-L471 PolarHBondContact O-N 3.31Å; I457-L471 HydrophobicContact CD1-CD1 4.44Å; I457-L471 HydrophobicContact CD1-CD2 3.88Å; I457-L471 HydrophobicContact CD1-CG 3.9Å
472	P	94.5	Very high	93	Very high	43 Å²	43	64 Å²	64	28%	0.279	36%	0.361	S	S	.	.			trans	-55.3	149.7	177.9	-25.1	34	0	0	0	112.5	T427 Y431 S474 S475	T427-P472 HydrophobicContact CG2-CB 4.39Å; T427-P472 HydrophobicContact CG2-CG 4.46Å; Y431-P472 HydrophobicContact CD2-CG 3.72Å; Y431-P472 HydrophobicContact CE2-CG 4.26Å; Y431-P472 HydrophobicContact CG-CG 4.33Å; P472-S474 PolarHBondContact O-N 3.48Å; P472-S474 VanDerWaalsContact O-N 3.12Å; P472-S475 VanDerWaalsContact O-CB 3.23Å; P472-S475 WeakPolarHBondContact O-CB 3.16Å; P472-S475 PolarHBondContact O-N 3.33Å
473	S	90.9	Very high	93.1	Very high	115 Å²	115	64 Å²	64	80%	0.804	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-30.7	179.7	-51.7	0	0	0	0	113.3	K455 S475	K455-S473 PolarHBondContact NZ-O 3.41Å; S473-S475 VanDerWaalsContact C-N 3.35Å
474	S	92.6	Very high	93.4	Very high	76 Å²	76	55 Å²	55	53%	0.531	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-10.4	176.2	56.9	0	0	0	0	114.5	G426 P472	G426-S474 CarbonylContact C-O 3.57Å; G426-S474 VanDerWaalsContact C-O 3.25Å; G426-S474 VanDerWaalsContact CA-O 3.24Å; G426-S474 WeakPolarHBondContact CA-O 3.43Å; P472-S474 PolarHBondContact O-N 3.48Å; P472-S474 VanDerWaalsContact O-N 3.12Å
475	S	93.4	Very high	93.7	Very high	5 Å²	5	49.1 Å²	49.1	4%	0.035	30%	0.295	C	S	.	.	S	Bend	trans	-72	142.9	174.4	-175.7	0	0	0	0	110.2	K455 P472 S473	K455-S475 VanDerWaalsContact CE-O 3.22Å; K455-S475 WeakPolarHBondContact CE-O 3.42Å; K455-S475 PolarHBondContact NZ-O 2.74Å; P472-S475 VanDerWaalsContact O-CB 3.23Å; P472-S475 WeakPolarHBondContact O-CB 3.16Å; P472-S475 PolarHBondContact O-N 3.33Å; S473-S475 VanDerWaalsContact C-N 3.35Å
476	D	93.9	Very high	94	Very high	77 Å²	77	44.1 Å²	44.1	41%	0.412	26%	0.262	S	S	.	.			trans	-67.5	164.7	168.7	-64.6	-28.2	0	0	0	110.8	L424 G425 G426	L424-D476 WeakPolarHBondContact O-CB 3.09Å; G425-D476 WeakPolarHBondContact CA-OD2 3.04Å; G425-D476 PolarHBondContact O-N 2.92Å; G425-D476 VanDerWaalsContact O-N 3.08Å; G426-D476 PolarHBondContact N-OD2 2.79Å
477	T	92.6	Very high	94.1	Very high	54 Å²	54	41 Å²	41	33%	0.331	24%	0.239	S	C	.	.	S	Bend	trans	-103	-15.9	-175.9	52.7	0	0	0	0	113.8	R452 K455	R452-T477 PolarHBondContact NH1-O 3.36Å; K455-T477 HydrophobicContact CD-CG2 4.3Å; K455-T477 VanDerWaalsContact CE-CG2 3.42Å; K455-T477 HydrophobicContact CG-CG2 3.84Å
478	L	94.4	Very high	94	Very high	61 Å²	61	37.8 Å²	37.8	32%	0.319	22%	0.22	S	C	.	.			trans	-104.9	137.5	-175.4	-62.7	179.3	0	0	0	110	D378 L379 A380 N480	D378-L478 HydrophobicContact CB-CB 4.24Å; D378-L478 HydrophobicContact CB-CD1 4.16Å; L379-L478 WeakPolarHBondContact O-CA 3.49Å; A380-L478 HydrophobicContact CB-CD2 3.78Å; L478-N480 PolarHBondContact O-ND2 3.02Å
479	F	94.8	Very high	93.8	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-90.9	102.9	163.9	-174.9	-171.3	0	0	0	107.8	L379 I400 D406 L408 L424 P482	L379-F479 HydrophobicContact CB-CB 4.26Å; L379-F479 PolarHBondContact N-O 3.21Å; L379-F479 PolarHBondContact O-N 3.34Å; I400-F479 HydrophobicContact CB-CE1 4.34Å; I400-F479 HydrophobicContact CB-CZ 4.29Å; I400-F479 HydrophobicContact CG2-CE1 3.84Å; I400-F479 HydrophobicContact CG2-CZ 3.79Å; D406-F479 HydrophobicContact CB-CD2 3.53Å; D406-F479 HydrophobicContact CB-CE2 3.58Å; L408-F479 HydrophobicContact CB-CE1 4.36Å; L424-F479 HydrophobicContact CD2-CB 3.74Å; L424-F479 HydrophobicContact CD2-CD2 4.14Å; L424-F479 HydrophobicContact CD2-CG 3.99Å; F479-P482 HydrophobicContact CD1-CG 4.24Å; F479-P482 HydrophobicContact CE1-CG 4.33Å; F479-P482 HydrophobicContact CG-CG 4.37Å
480	N	91.9	Very high	93.7	Very high	36 Å²	36	35.5 Å²	35.5	19%	0.193	20%	0.204	C	C	.	.			trans	-82.1	129.1	-166.2	-56.5	-71.8	0	0	0	111.3	D378 S402 T404 D406 L478	D378-N480 VanDerWaalsContact OD1-CA 3.23Å; D378-N480 WeakPolarHBondContact OD1-CA 3.26Å; S402-N480 WeakPolarHBondContact CB-O 3.44Å; T404-N480 HydrophobicContact CG2-CB 3.99Å; D406-N480 VanDerWaalsContact OD2-CB 3.31Å; D406-N480 WeakPolarHBondContact OD2-CB 3.31Å; D406-N480 PolarHBondContact OD2-N 2.89Å; D406-N480 PolarHBondContact OD2-ND2 3.43Å; L478-N480 PolarHBondContact O-ND2 3.02Å
481	S	91	Very high	93.3	Very high	36 Å²	36	33 Å²	33	25%	0.252	19%	0.194	S	C	.	.			trans	42.8	64	171.7	-60.3	0	0	0	0	116.1	D378 S402 F403 K483	D378-S481 PolarHBondContact OD1-N 3.5Å; S402-S481 WeakPolarHBondContact CA-O 3.36Å; S402-S481 WeakPolarHBondContact CB-O 3.12Å; F403-S481 WeakPolarHBondContact CD2-O 3.43Å; F403-S481 PolarHBondContact N-O 2.94Å; S481-K483 PolarHBondContact O-N 3.37Å
482	P	92.4	Very high	92.8	Very high	7 Å²	7	33.7 Å²	33.7	5%	0.045	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54	134.1	174.7	-24	33.7	0	0	0	112.4	F352 L379 F479	F352-P482 HydrophobicContact CD2-CB 3.87Å; F352-P482 HydrophobicContact CE2-CB 3.83Å; L379-P482 HydrophobicContact CD1-CG 3.77Å; L379-P482 HydrophobicContact CG-CG 4.19Å; F479-P482 HydrophobicContact CD1-CG 4.24Å; F479-P482 HydrophobicContact CE1-CG 4.33Å; F479-P482 HydrophobicContact CG-CG 4.37Å
483	K	92.2	Very high	91.7	Very high	35 Å²	35	36.6 Å²	36.6	15%	0.152	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	-54.8	-171.3	175	-173.2	178.2	-166.2	0	112.7	F352 S401 F403 S481 E492	F352-K483 VanDerWaalsContact CD2-C 3.44Å; F352-K483 PolarHBondContact N-O 3.43Å; S401-K483 PolarHBondContact O-N 3.24Å; F403-K483 HydrophobicContact CD1-CB 4.3Å; F403-K483 HydrophobicContact CD1-CD 3.92Å; F403-K483 HydrophobicContact CD1-CG 4.03Å; F403-K483 HydrophobicContact CD2-CB 3.86Å; F403-K483 HydrophobicContact CD2-CG 4.32Å; F403-K483 HydrophobicContact CE1-CB 4.3Å; F403-K483 HydrophobicContact CE1-CD 3.91Å; F403-K483 HydrophobicContact CE1-CG 3.71Å; F403-K483 HydrophobicContact CE2-CB 3.86Å; F403-K483 HydrophobicContact CE2-CG 4.02Å; F403-K483 HydrophobicContact CG-CB 4.1Å; F403-K483 HydrophobicContact CG-CD 4.46Å; F403-K483 HydrophobicContact CG-CG 4.34Å; F403-K483 HydrophobicContact CZ-CB 4.1Å; F403-K483 HydrophobicContact CZ-CD 4.43Å; F403-K483 HydrophobicContact CZ-CG 3.72Å; S481-K483 PolarHBondContact O-N 3.37Å; K483-E492 IonicContact NZ-OE1 2.72Å; K483-E492 PolarHBondContact NZ-OE1 3.01Å; K483-E492 IonicContact NZ-OE2 3.77Å
484	S	94.1	Very high	90.8	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.007	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	146.9	-174.4	-64.8	0	0	0	0	112	R349 Y350 N351 I400 S401	R349-S484 PolarHBondContact NE-OG 3.37Å; R349-S484 PolarHBondContact NH2-OG 2.94Å; R349-S484 VanDerWaalsContact NH2-OG 3.17Å; Y350-S484 CarbonylContact O-C 3.52Å; Y350-S484 VanDerWaalsContact O-CA 3.25Å; Y350-S484 WeakPolarHBondContact O-CA 3.15Å; N351-S484 PolarHBondContact OD1-OG 3.47Å; I400-S484 WeakPolarHBondContact CA-O 3.4Å; S401-S484 PolarHBondContact N-O 2.78Å; S401-S484 PolarHBondContact O-N 2.82Å; S401-S484 PolarHBondContact OG-N 3.43Å; S401-S484 PolarHBondContact OG-O 3.3Å
485	L	96	Very high	89.9	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	129.6	171.8	-179.9	160.9	0	0	0	109	R349 Y350 F352 L398 Y399 I400 L487 F517 P522	R349-L485 CarbonylContact C-O 3.57Å; R349-L485 WeakPolarHBondContact CA-O 3.34Å; Y350-L485 PolarHBondContact N-O 2.97Å; Y350-L485 PolarHBondContact O-N 2.81Å; F352-L485 HydrophobicContact CE2-CB 4.47Å; F352-L485 HydrophobicContact CZ-CB 3.99Å; L398-L485 HydrophobicContact CD1-CD1 4.4Å; Y399-L485 CarbonylContact O-C 3.1Å; Y399-L485 WeakPolarHBondContact O-CA 3.46Å; I400-L485 HydrophobicContact CD1-CD1 4.13Å; I400-L485 HydrophobicContact CG1-CB 4.24Å; I400-L485 HydrophobicContact CG1-CD1 4.18Å; I400-L485 HydrophobicContact CG1-CG 4.03Å; L485-L487 HydrophobicContact CD2-CD1 4.38Å; L485-L487 HydrophobicContact CD2-CD2 3.79Å; L485-L487 HydrophobicContact CD2-CG 3.77Å; L485-F517 HydrophobicContact CD1-CB 3.69Å; L485-F517 HydrophobicContact CD1-CG 4.24Å; L485-P522 HydrophobicContact CD1-CG 4.04Å; L485-P522 HydrophobicContact CD2-CB 4.33Å; L485-P522 HydrophobicContact CD2-CG 3.85Å
486	F	96.3	Very high	89.3	Confident	2 Å²	2	42.4 Å²	42.4	1%	0.009	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	137.1	-179.7	-61	-94.2	0	0	0	111.2	L348 R349 Y399 V490 I491 E492	L348-F486 CarbonylContact O-C 3.59Å; L348-F486 WeakPolarHBondContact O-CA 3.36Å; R349-F486 HydrophobicContact CB-CD1 3.94Å; R349-F486 HydrophobicContact CB-CE1 3.87Å; R349-F486 HydrophobicContact CG-CD1 3.96Å; R349-F486 HydrophobicContact CG-CE1 3.51Å; R349-F486 HydrophobicContact CG-CZ 3.9Å; Y399-F486 AromaticContact CD1-CD2 3.72Å; Y399-F486 HydrophobicContact CD1-CD2 3.72Å; Y399-F486 HydrophobicContact CD1-CE2 4.31Å; Y399-F486 HydrophobicContact CD1-CG 4.45Å; Y399-F486 HydrophobicContact CE1-CD2 4.37Å; Y399-F486 PolarHBondContact N-O 2.58Å; Y399-F486 PolarHBondContact O-N 2.79Å; F486-V490 HydrophobicContact CB-CG2 4.28Å; F486-V490 HydrophobicContact CD2-CG1 4.48Å; F486-V490 HydrophobicContact CG-CG1 4.37Å; F486-I491 HydrophobicContact CD1-CG1 4.29Å; F486-I491 HydrophobicContact CE1-CG1 3.95Å; F486-E492 HydrophobicContact CE2-CB 4.18Å; F486-E492 WeakPolarHBondContact CE2-OE2 3.36Å; F486-E492 HydrophobicContact CZ-CB 4.09Å; F486-E492 WeakPolarHBondContact CZ-OE2 3.25Å
487	L	96.6	Very high	88.9	Confident	1 Å²	1	40.6 Å²	40.6	1%	0.005	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	143.9	170.6	-53.4	175	0	0	0	108.7	F342 W347 L348 L398 L485 L512 V515 L523	F342-L487 HydrophobicContact CE1-CB 4.09Å; F342-L487 HydrophobicContact CZ-CB 3.9Å; F342-L487 HydrophobicContact CZ-CD1 4.47Å; W347-L487 WeakPolarHBondContact CA-O 3.36Å; L348-L487 HydrophobicContact CB-CB 4.34Å; L348-L487 HydrophobicContact CD2-CD1 4.15Å; L348-L487 HydrophobicContact CD2-CG 4.49Å; L348-L487 PolarHBondContact N-O 2.95Å; L348-L487 PolarHBondContact O-N 2.97Å; L398-L487 HydrophobicContact CB-CD2 4.3Å; L398-L487 HydrophobicContact CD1-CD2 4.21Å; L398-L487 HydrophobicContact CG-CD2 4.3Å; L485-L487 HydrophobicContact CD2-CD1 4.38Å; L485-L487 HydrophobicContact CD2-CD2 3.79Å; L485-L487 HydrophobicContact CD2-CG 3.77Å; L487-L512 HydrophobicContact CB-CD1 3.97Å; L487-L512 HydrophobicContact CD2-CD1 4.29Å; L487-V515 HydrophobicContact CD1-CB 4.36Å; L487-V515 HydrophobicContact CD1-CG1 3.98Å; L487-V515 HydrophobicContact CD1-CG2 4.19Å; L487-V515 HydrophobicContact CD2-CG1 3.96Å; L487-V515 HydrophobicContact CD2-CG2 4.5Å; L487-L523 HydrophobicContact CD1-CD2 3.82Å
488	G	93	Very high	88.6	Confident	1 Å²	1	46.2 Å²	46.2	1%	0.01	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	83.2	-126.8	-173.9	0	0	0	0	0	111.3
489	K	92.6	Very high	88.1	Confident	69 Å²	69	46 Å²	46	30%	0.3	25%	0.245	S	C	.	.	S	Bend	trans	-80.6	137.2	173.7	-172.9	175.6	-177.7	177.5	0	111.5	M346 W347	M346-K489 PolarHBondContact O-N 3.37Å; W347-K489 HydrophobicContact CB-CB 4.1Å; W347-K489 WeakPolarHBondContact CB-O 3.28Å
490	V	93.1	Very high	87.8	Confident	4 Å²	4	46 Å²	46	2%	0.024	25%	0.245	C	C	.	.			trans	-87.2	122.3	176.2	-178.1	0	0	0	0	109.6	I396 Y399 F486 E492 N504	I396-V490 HydrophobicContact CD1-CG2 3.86Å; I396-V490 HydrophobicContact CG2-CG2 4.03Å; Y399-V490 HydrophobicContact CD1-CB 4.46Å; Y399-V490 HydrophobicContact CD1-CG1 3.42Å; Y399-V490 VanDerWaalsContact CD1-CG1 3.42Å; Y399-V490 HydrophobicContact CD1-CG2 4.15Å; Y399-V490 HydrophobicContact CE1-CG1 3.81Å; Y399-V490 HydrophobicContact CG-CG1 4.12Å; Y399-V490 HydrophobicContact CG-CG2 4.08Å; F486-V490 HydrophobicContact CB-CG2 4.28Å; F486-V490 HydrophobicContact CD2-CG1 4.48Å; F486-V490 HydrophobicContact CG-CG1 4.37Å; V490-E492 HydrophobicContact CG1-CB 4.18Å; V490-N504 WeakPolarHBondContact CB-OD1 3.35Å; V490-N504 PolarHBondContact N-OD1 2.97Å; V490-N504 PolarHBondContact O-ND2 3.02Å
491	I	89.3	Confident	87.7	Confident	60 Å²	60	50.3 Å²	50.3	31%	0.308	26%	0.264	S	S	.	.			trans	-123.2	49	177.8	55.5	136.8	0	0	0	111.2	W347 F486	W347-I491 HydrophobicContact CD2-CD1 3.62Å; W347-I491 HydrophobicContact CD2-CG1 3.66Å; W347-I491 HydrophobicContact CE3-CD1 3.79Å; W347-I491 HydrophobicContact CE3-CG1 3.95Å; W347-I491 HydrophobicContact CG-CD1 4.46Å; W347-I491 HydrophobicContact CG-CG1 4.08Å; W347-I491 HydrophobicContact CG-CG2 4.4Å; W347-I491 HydrophobicContact CH2-CD1 3.48Å; W347-I491 VanDerWaalsContact CH2-CD1 3.48Å; W347-I491 HydrophobicContact CZ2-CD1 3.24Å; W347-I491 HydrophobicContact CZ2-CG1 4.21Å; W347-I491 HydrophobicContact CZ3-CD1 3.73Å; W347-I491 HydrophobicContact CZ3-CG1 4.37Å; F486-I491 HydrophobicContact CD1-CG1 4.29Å; F486-I491 HydrophobicContact CE1-CG1 3.95Å
492	E	84.3	Confident	87.7	Confident	24 Å²	24	55 Å²	55	11%	0.112	28%	0.28	C	S	.	.			trans	-75.5	142.6	177.6	-175.1	56.9	-100	0	0	111.4	Y399 S401 K483 F486 V490 I496	Y399-E492 HydrophobicContact CE1-CB 4.26Å; S401-E492 WeakPolarHBondContact CB-OE2 3.4Å; S401-E492 PolarHBondContact OG-OE2 3.14Å; K483-E492 IonicContact NZ-OE1 2.72Å; K483-E492 PolarHBondContact NZ-OE1 3.01Å; K483-E492 IonicContact NZ-OE2 3.77Å; F486-E492 HydrophobicContact CE2-CB 4.18Å; F486-E492 WeakPolarHBondContact CE2-OE2 3.36Å; F486-E492 HydrophobicContact CZ-CB 4.09Å; F486-E492 WeakPolarHBondContact CZ-OE2 3.25Å; V490-E492 HydrophobicContact CG1-CB 4.18Å; E492-I496 HydrophobicContact CB-CD1 3.99Å; E492-I496 HydrophobicContact CB-CG1 4.25Å
493	T	70.4	Confident	87.6	Confident	104 Å²	104	55.3 Å²	55.3	64%	0.638	28%	0.28	S	S	*	.	S	Bend	trans	-93.7	112.9	175.7	54.8	0	0	0	0	109.1
494	G	72.6	Confident	87.5	Confident	68 Å²	68	54.3 Å²	54.3	70%	0.701	28%	0.277	S	S	*	.	S	Bend	trans	138.9	-158.6	177.1	0	0	0	0	0	113.6	I496	G494-I496 PolarHBondContact O-N 3.04Å
495	K	72.4	Confident	87.3	Confident	214 Å²	214	59.2 Å²	59.2	93%	0.93	31%	0.307	S	S	*	.			trans	-79.6	101.3	178.8	-168.5	-178.6	-179	-174.6	0	109.7
496	I	82.4	Confident	86.8	Confident	37 Å²	37	62 Å²	62	19%	0.19	33%	0.325	C	S	.	.			trans	-89.1	142.3	172.5	-58.7	176.3	0	0	0	108.9	E492 G494 I500	E492-I496 HydrophobicContact CB-CD1 3.99Å; E492-I496 HydrophobicContact CB-CG1 4.25Å; G494-I496 PolarHBondContact O-N 3.04Å; I496-I500 HydrophobicContact CG2-CB 3.79Å; I496-I500 HydrophobicContact CG2-CG2 3.64Å
497	D	84.9	Confident	86.4	Confident	38 Å²	38	62 Å²	62	20%	0.203	33%	0.326	C	S	.	.			trans	-56	140.1	172.7	178	-93.6	0	0	0	111.5	F407 R421 E499 I500 H501	F407-D497 HydrophobicContact CE1-CB 4.04Å; F407-D497 HydrophobicContact CZ-CB 3.79Å; R421-D497 IonicContact CZ-OD1 3.61Å; R421-D497 IonicContact NH1-OD1 2.87Å; R421-D497 PolarHBondContact NH1-OD1 2.95Å; R421-D497 IonicContact NH2-OD1 3.79Å; R421-D497 IonicContact NH2-OD2 3.08Å; D497-E499 VanDerWaalsContact C-N 3.28Å; D497-E499 PolarHBondContact O-N 2.83Å; D497-E499 WeakPolarHBondContact OD1-CB 3.47Å; D497-E499 PolarHBondContact OD1-N 2.87Å; D497-I500 HydrophobicContact CB-CB 4.32Å; D497-I500 HydrophobicContact CB-CG1 3.9Å; D497-I500 WeakPolarHBondContact O-CB 3.45Å; D497-I500 PolarHBondContact O-N 3.25Å; D497-I500 VanDerWaalsContact O-N 3.15Å; D497-I500 PolarHBondContact OD1-N 3.15Å; D497-H501 PolarHBondContact O-N 2.97Å
498	Q	86.3	Confident	86.3	Confident	172 Å²	172	62 Å²	62	80%	0.804	33%	0.325	S	S	*	.	H	α-helix	trans	-62	-34.9	-171	-173.1	178.1	3	0	0	112.8	K502	Q498-K502 WeakPolarHBondContact O-CB 3.37Å; Q498-K502 PolarHBondContact O-N 2.8Å
499	E	84.3	Confident	86.3	Confident	57 Å²	57	63 Å²	63	27%	0.266	33%	0.331	S	S	.	.	H	α-helix	trans	-76	-35.8	178.4	-96.9	-154.5	144.8	0	0	112	R421 D497 H501 K502 Y503	R421-E499 IonicContact CZ-OE2 3.42Å; R421-E499 IonicContact NE-OE2 3.5Å; R421-E499 IonicContact NH1-OE2 2.74Å; R421-E499 PolarHBondContact NH1-OE2 2.7Å; R421-E499 IonicContact NH2-OE2 3.14Å; D497-E499 VanDerWaalsContact C-N 3.28Å; D497-E499 PolarHBondContact O-N 2.83Å; D497-E499 WeakPolarHBondContact OD1-CB 3.47Å; D497-E499 PolarHBondContact OD1-N 2.87Å; E499-H501 VanDerWaalsContact C-N 3.33Å; E499-K502 WeakPolarHBondContact O-CB 3.07Å; E499-K502 PolarHBondContact O-N 2.71Å; E499-Y503 WeakPolarHBondContact O-CD2 3.46Å; E499-Y503 PolarHBondContact O-N 2.98Å; E499-Y503 PolarHBondContact OE1-OH 2.83Å
500	I	88.5	Confident	86.4	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-60	-48.8	170.6	-58.3	-56.4	0	0	0	108.8	I396 Y399 A409 L411 I496 D497 K502 Y503 N504	I396-I500 HydrophobicContact CD1-CG2 3.66Å; I396-I500 WeakPolarHBondContact CD1-O 3.3Å; Y399-I500 HydrophobicContact CD2-CG2 4.28Å; Y399-I500 HydrophobicContact CE2-CG2 4.35Å; A409-I500 HydrophobicContact CB-CD1 3.42Å; A409-I500 VanDerWaalsContact CB-CD1 3.42Å; A409-I500 HydrophobicContact CB-CG1 4.41Å; L411-I500 HydrophobicContact CD2-CD1 3.78Å; I496-I500 HydrophobicContact CG2-CB 3.79Å; I496-I500 HydrophobicContact CG2-CG2 3.64Å; D497-I500 HydrophobicContact CB-CB 4.32Å; D497-I500 HydrophobicContact CB-CG1 3.9Å; D497-I500 WeakPolarHBondContact O-CB 3.45Å; D497-I500 PolarHBondContact O-N 3.25Å; D497-I500 VanDerWaalsContact O-N 3.15Å; D497-I500 PolarHBondContact OD1-N 3.15Å; I500-K502 VanDerWaalsContact C-N 3.26Å; I500-K502 PolarHBondContact O-N 2.87Å; I500-Y503 PolarHBondContact O-N 3.03Å; I500-N504 VanDerWaalsContact O-CB 3.27Å; I500-N504 WeakPolarHBondContact O-CB 3.29Å; I500-N504 PolarHBondContact O-N 2.91Å; I500-N504 VanDerWaalsContact O-N 3.08Å
501	H	89.8	Confident	86.5	Confident	126 Å²	126	60.1 Å²	60.1	58%	0.583	32%	0.321	S	S	*	.	H	α-helix	trans	-57	-39.7	175.5	-173.8	-83.3	0	0	0	112.6	D497 E499 N504	D497-H501 PolarHBondContact O-N 2.97Å; E499-H501 VanDerWaalsContact C-N 3.33Å; H501-N504 PolarHBondContact O-N 3.12Å
502	K	89.9	Confident	86.8	Confident	136 Å²	136	57.2 Å²	57.2	59%	0.591	31%	0.306	S	S	*	.	H	α-helix	trans	-63.3	-39.8	178.7	-175.6	-176.2	177.2	-171.6	0	113.2	Q498 E499 I500	Q498-K502 WeakPolarHBondContact O-CB 3.37Å; Q498-K502 PolarHBondContact O-N 2.8Å; E499-K502 WeakPolarHBondContact O-CB 3.07Å; E499-K502 PolarHBondContact O-N 2.71Å; I500-K502 VanDerWaalsContact C-N 3.26Å; I500-K502 PolarHBondContact O-N 2.87Å
503	Y	91	Very high	87.4	Confident	13 Å²	13	56.3 Å²	56.3	5%	0.051	30%	0.303	C	S	.	.	H	α-helix	trans	-94.8	3.3	-177.8	-54.9	-36	0	0	0	113.9	P394 L411 P414 E499 I500	P394-Y503 HydrophobicContact CB-CD1 3.45Å; P394-Y503 VanDerWaalsContact CB-CD1 3.45Å; P394-Y503 HydrophobicContact CB-CE1 3.96Å; P394-Y503 HydrophobicContact CB-CG 3.85Å; P394-Y503 HydrophobicContact CG-CD1 3.53Å; P394-Y503 HydrophobicContact CG-CE1 4.06Å; P394-Y503 HydrophobicContact CG-CG 4.32Å; L411-Y503 HydrophobicContact CD1-CD2 3.87Å; L411-Y503 HydrophobicContact CD1-CE2 4.04Å; L411-Y503 HydrophobicContact CD2-CD2 4.06Å; P414-Y503 HydrophobicContact CG-CE1 4Å; E499-Y503 WeakPolarHBondContact O-CD2 3.46Å; E499-Y503 PolarHBondContact O-N 2.98Å; E499-Y503 PolarHBondContact OE1-OH 2.83Å; I500-Y503 PolarHBondContact O-N 3.03Å
504	N	90.8	Very high	88.5	Confident	14 Å²	14	54.9 Å²	54.9	8%	0.075	29%	0.286	C	S	.	.			trans	-82.7	-7.5	-178.9	-166.5	35.2	0	0	0	114.7	I396 V490 I500 H501 P506 G507	I396-N504 HydrophobicContact CD1-CB 3.78Å; V490-N504 WeakPolarHBondContact CB-OD1 3.35Å; V490-N504 PolarHBondContact N-OD1 2.97Å; V490-N504 PolarHBondContact O-ND2 3.02Å; I500-N504 VanDerWaalsContact O-CB 3.27Å; I500-N504 WeakPolarHBondContact O-CB 3.29Å; I500-N504 PolarHBondContact O-N 2.91Å; I500-N504 VanDerWaalsContact O-N 3.08Å; H501-N504 PolarHBondContact O-N 3.12Å; N504-P506 CarbonylContact O-C 3.56Å; N504-G507 WeakPolarHBondContact O-CA 3.38Å; N504-G507 PolarHBondContact O-N 3.06Å; N504-G507 VanDerWaalsContact O-N 3.16Å
505	T	88	Confident	89.6	Confident	104 Å²	104	51.7 Å²	51.7	64%	0.638	25%	0.252	S	S	*	.	S	Bend	trans	-121.8	118.6	179.8	-54	0	0	0	0	109.3
506	P	85.6	Confident	90.7	Very high	58 Å²	58	42 Å²	42	38%	0.377	21%	0.211	S	C	.	.	S	Bend	cis	-81.2	-6.2	9.9	33.2	-36	0	0	0	115.7	E344 G345 N504	E344-P506 HydrophobicContact CB-CB 4.39Å; E344-P506 HydrophobicContact CG-CB 4.3Å; E344-P506 HydrophobicContact CG-CG 4.41Å; G345-P506 PolarHBondContact N-O 2.99Å; N504-P506 CarbonylContact O-C 3.56Å
507	G	88	Confident	91.4	Very high	3 Å²	3	40.5 Å²	40.5	3%	0.031	20%	0.203	C	C	.	.			trans	107.1	-168.8	-172.4	0	0	0	0	0	111	N504	N504-G507 WeakPolarHBondContact O-CA 3.38Å; N504-G507 PolarHBondContact O-N 3.06Å; N504-G507 VanDerWaalsContact O-N 3.16Å
508	F	94.7	Very high	91.7	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.204	C	C	.	.			trans	-81.9	137	173.8	168.3	-95.1	0	0	0	112.1	F342 T390 C395 I396 L397 L512	F342-F508 HydrophobicContact CB-CD1 3.81Å; F342-F508 HydrophobicContact CB-CE1 4.03Å; F342-F508 HydrophobicContact CD2-CD1 4.39Å; F342-F508 HydrophobicContact CD2-CE1 4.2Å; F342-F508 HydrophobicContact CG-CD1 4.11Å; F342-F508 HydrophobicContact CG-CE1 4.31Å; T390-F508 HydrophobicContact CG2-CE2 4.25Å; C395-F508 HydrophobicContact CB-CB 4.35Å; I396-F508 WeakPolarHBondContact O-CB 3.41Å; L397-F508 HydrophobicContact CD2-CD2 3.39Å; L397-F508 HydrophobicContact CD2-CE2 3.45Å; L397-F508 VanDerWaalsContact CD2-CE2 3.45Å; L397-F508 HydrophobicContact CD2-CG 4.36Å; L397-F508 HydrophobicContact CD2-CZ 4.5Å; F508-L512 HydrophobicContact CD1-CD1 3.96Å; F508-L512 HydrophobicContact CD1-CG 4.18Å; F508-L512 HydrophobicContact CE1-CD1 3.83Å; F508-L512 HydrophobicContact CE1-CD2 4.31Å; F508-L512 HydrophobicContact CE1-CG 3.54Å; F508-L512 HydrophobicContact CZ-CD2 4.19Å; F508-L512 HydrophobicContact CZ-CG 3.86Å
509	T	94.5	Very high	91.9	Very high	22 Å²	22	38.9 Å²	38.9	14%	0.135	20%	0.195	C	C	.	.			trans	-131.6	127.5	172.5	-56.2	0	0	0	0	108.4	F342 E344 T390	F342-T509 VanDerWaalsContact O-CA 3.32Å; F342-T509 WeakPolarHBondContact O-CA 3.32Å; E344-T509 HydrophobicContact CG-CG2 4.31Å; E344-T509 WeakPolarHBondContact CG-OG1 3.39Å; E344-T509 PolarHBondContact N-OG1 3.02Å; T390-T509 WeakPolarHBondContact CB-O 3.2Å; T390-T509 PolarHBondContact OG1-O 2.9Å
510	G	94.3	Very high	92.2	Very high	8 Å²	8	38.3 Å²	38.3	8%	0.082	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	142.1	-160.9	-170.9	0	0	0	0	0	111.4	F341 F342 S389	F341-G510 WeakPolarHBondContact CD2-O 3.47Å; F342-G510 PolarHBondContact N-O 2.96Å; F342-G510 PolarHBondContact O-N 3.17Å; S389-G510 CarbonylContact O-C 3.38Å; S389-G510 VanDerWaalsContact O-CA 3.27Å; S389-G510 WeakPolarHBondContact O-CA 2.96Å
511	C	94.8	Very high	92.5	Very high	4 Å²	4	38.8 Å²	38.8	3%	0.027	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	133.6	-177.4	-149.6	0	0	0	0	111.1	A340 F341 F388 S389 S545 C547	A340-C511 PolarHBondContact O-SG 3.31Å; F341-C511 HydrophobicContact CD2-CB 4.37Å; F388-C511 CarbonylContact C-O 3.59Å; F388-C511 WeakPolarHBondContact CA-O 3.37Å; S389-C511 PolarHBondContact N-O 3.16Å; S389-C511 PolarHBondContact O-N 3.17Å; S389-C511 WeakPolarHBondContact OG-CB 3.39Å; C511-S545 VanDerWaalsContact SG-CB 3.6Å; C511-S545 PolarHBondContact SG-OG 2.82Å; C511-S545 VanDerWaalsContact SG-OG 3.37Å; C511-C547 HydrophobicContact CB-CB 3.57Å; C511-C547 WeakPolarHBondContact CB-SG 3.28Å; C511-C547 WeakPolarHBondContact SG-CA 3.34Å; C511-C547 WeakPolarHBondContact SG-CB 3.33Å; C511-C547 CovalentContact SG-SG 2.02Å; C511-C547 PolarHBondContact SG-SG 3.17Å
512	L	96.4	Very high	92.7	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	135.6	170.5	-74	167	0	0	0	109.2	G339 A340 F342 F386 S387 F388 L487 F508 V515 L523 C547	G339-L512 CarbonylContact C-O 3.54Å; G339-L512 WeakPolarHBondContact CA-O 3.42Å; A340-L512 PolarHBondContact N-O 2.78Å; A340-L512 PolarHBondContact O-N 3.29Å; F342-L512 HydrophobicContact CD2-CB 4.35Å; F342-L512 HydrophobicContact CD2-CD1 4.05Å; F342-L512 HydrophobicContact CD2-CG 4.41Å; F342-L512 HydrophobicContact CE2-CB 4.01Å; F342-L512 HydrophobicContact CE2-CD1 3.78Å; F342-L512 HydrophobicContact CE2-CG 4.31Å; F342-L512 HydrophobicContact CZ-CD1 4.18Å; F386-L512 HydrophobicContact CD2-CD2 4.16Å; S387-L512 CarbonylContact O-C 3.54Å; S387-L512 WeakPolarHBondContact O-CA 3.33Å; F388-L512 HydrophobicContact CB-CD2 3.71Å; L487-L512 HydrophobicContact CB-CD1 3.97Å; L487-L512 HydrophobicContact CD2-CD1 4.29Å; F508-L512 HydrophobicContact CD1-CD1 3.96Å; F508-L512 HydrophobicContact CD1-CG 4.18Å; F508-L512 HydrophobicContact CE1-CD1 3.83Å; F508-L512 HydrophobicContact CE1-CD2 4.31Å; F508-L512 HydrophobicContact CE1-CG 3.54Å; F508-L512 HydrophobicContact CZ-CD2 4.19Å; F508-L512 HydrophobicContact CZ-CG 3.86Å; L512-V515 HydrophobicContact CB-CG2 4.17Å; L512-L523 HydrophobicContact CB-CD1 4.02Å; L512-L523 VanDerWaalsContact O-CD1 3.26Å; L512-L523 WeakPolarHBondContact O-CD1 3.37Å; L512-C547 VanDerWaalsContact C-SG 3.58Å; L512-C547 PolarHBondContact O-SG 2.93Å; L512-C547 VanDerWaalsContact O-SG 3.33Å
513	S	95.6	Very high	93	Very high	5 Å²	5	26.4 Å²	26.4	4%	0.035	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	165.3	174.5	64.5	0	0	0	0	111.6	V338 F386 S387 V515	V338-S513 WeakPolarHBondContact O-CA 3.36Å; F386-S513 CarbonylContact C-O 3.58Å; S387-S513 PolarHBondContact N-O 2.04Å; S387-S513 PolarHBondContact O-N 3.29Å; S513-V515 PolarHBondContact O-N 2.89Å
514	R	94.3	Very high	93.1	Very high	73 Å²	73	26.7 Å²	26.7	28%	0.275	14%	0.144	S	C	.	.	E	Extended strand (participates in β ladder)	trans	56.3	23.9	175.9	-53.6	174	178	172.3	5.3	114	Y329 D337 V338 R385 Q516	Y329-R514 HydrophobicContact CE1-CB 4.45Å; Y329-R514 HydrophobicContact CE1-CG 3.68Å; Y329-R514 WeakPolarHBondContact OH-CD 3.34Å; D337-R514 HydrophobicContact CB-CG 4.18Å; D337-R514 VanDerWaalsContact CG-NH2 3.35Å; D337-R514 IonicContact OD1-CZ 3.98Å; D337-R514 IonicContact OD1-NE 3.61Å; D337-R514 PolarHBondContact OD1-NE 3.33Å; D337-R514 IonicContact OD1-NH2 3.94Å; D337-R514 PolarHBondContact OD1-NH2 3.17Å; D337-R514 IonicContact OD2-CZ 2.91Å; D337-R514 IonicContact OD2-NE 2.76Å; D337-R514 PolarHBondContact OD2-NE 2.87Å; D337-R514 IonicContact OD2-NH2 3.49Å; D337-R514 PolarHBondContact OD2-NH2 3.36Å; V338-R514 PolarHBondContact O-N 3.38Å; R385-R514 CarbonylContact C-O 3.43Å; R514-Q516 PolarHBondContact O-N 2.74Å; R514-Q516 VanDerWaalsContact O-N 3.13Å
515	V	96.1	Very high	93.2	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.006	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	113.6	-175.6	-178.2	0	0	0	0	109.4	R385 F386 L398 L487 L512 S513 A521 P522 L523	R385-V515 CarbonylContact O-C 3.33Å; R385-V515 WeakPolarHBondContact O-CA 3.41Å; F386-V515 HydrophobicContact CB-CB 4.28Å; F386-V515 HydrophobicContact CB-CG2 3.79Å; L398-V515 HydrophobicContact CD1-CG1 4.37Å; L487-V515 HydrophobicContact CD1-CB 4.36Å; L487-V515 HydrophobicContact CD1-CG1 3.98Å; L487-V515 HydrophobicContact CD1-CG2 4.19Å; L487-V515 HydrophobicContact CD2-CG1 3.96Å; L487-V515 HydrophobicContact CD2-CG2 4.5Å; L512-V515 HydrophobicContact CB-CG2 4.17Å; S513-V515 PolarHBondContact O-N 2.89Å; V515-A521 WeakPolarHBondContact O-CA 3.37Å; V515-P522 WeakPolarHBondContact O-CD 3.44Å; V515-L523 HydrophobicContact CB-CB 4.46Å; V515-L523 HydrophobicContact CB-CD1 4.16Å; V515-L523 HydrophobicContact CG2-CD1 3.66Å
516	Q	95.6	Very high	93.5	Very high	11 Å²	11	22.7 Å²	22.7	5%	0.051	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	128.1	-178.5	-174.5	160.1	-12.3	0	0	109.9	A328 I384 R385 R514 N518 I520	A328-Q516 HydrophobicContact CB-CB 4.1Å; I384-Q516 WeakPolarHBondContact CA-O 3.41Å; R385-Q516 HydrophobicContact CB-CB 4.42Å; R385-Q516 PolarHBondContact N-O 3.38Å; R385-Q516 PolarHBondContact O-N 2.91Å; R514-Q516 PolarHBondContact O-N 2.74Å; R514-Q516 VanDerWaalsContact O-N 3.13Å; Q516-N518 WeakPolarHBondContact CG-O 3.4Å; Q516-N518 PolarHBondContact NE2-O 2.87Å; Q516-I520 CarbonylContact C-O 3.56Å; Q516-I520 VanDerWaalsContact CA-O 3.29Å; Q516-I520 WeakPolarHBondContact CA-O 3.25Å
517	F	95.3	Very high	93.8	Very high	5 Å²	5	21.8 Å²	21.8	2%	0.022	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	109.8	169.9	178.3	-101.4	0	0	0	107.8	F352 L379 E382 E383 I384 I400 L485 Q519 I520	F352-F517 AromaticContact CE1-CD1 3.71Å; F352-F517 HydrophobicContact CE1-CD1 3.71Å; F352-F517 HydrophobicContact CE1-CE1 4Å; F352-F517 AromaticContact CZ-CD1 3.68Å; F352-F517 HydrophobicContact CZ-CD1 3.68Å; F352-F517 AromaticContact CZ-CE1 3.75Å; F352-F517 HydrophobicContact CZ-CE1 3.75Å; L379-F517 HydrophobicContact CD1-CE1 4.16Å; L379-F517 HydrophobicContact CD1-CZ 3.75Å; E382-F517 HydrophobicContact CB-CE2 3.91Å; E382-F517 HydrophobicContact CB-CZ 4.14Å; E382-F517 HydrophobicContact CG-CE2 4.08Å; E383-F517 WeakPolarHBondContact O-CA 3.46Å; I384-F517 HydrophobicContact CD1-CD2 3.84Å; I384-F517 HydrophobicContact CD1-CE2 3.98Å; I384-F517 HydrophobicContact CG1-CD2 3.77Å; I384-F517 HydrophobicContact CG1-CE2 4.13Å; I400-F517 HydrophobicContact CD1-CD2 3.29Å; I400-F517 HydrophobicContact CD1-CE2 3.35Å; I400-F517 HydrophobicContact CD1-CG 4.01Å; I400-F517 HydrophobicContact CD1-CZ 4.08Å; L485-F517 HydrophobicContact CD1-CB 3.69Å; L485-F517 HydrophobicContact CD1-CG 4.24Å; F517-Q519 PolarHBondContact O-N 3.28Å; F517-Q519 VanDerWaalsContact O-N 3.12Å; F517-I520 PolarHBondContact N-O 2.81Å; F517-I520 WeakPolarHBondContact O-CB 3.34Å; F517-I520 PolarHBondContact O-N 2.7Å
518	N	92.6	Very high	93.9	Very high	44 Å²	44	24.7 Å²	24.7	24%	0.235	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	52	-114.7	-168	-59.4	-28.7	0	0	0	110.5	E382 E383 Q516	E382-N518 WeakPolarHBondContact CA-OD1 3.29Å; E383-N518 PolarHBondContact N-OD1 3.18Å; E383-N518 PolarHBondContact O-N 2.93Å; Q516-N518 WeakPolarHBondContact CG-O 3.4Å; Q516-N518 PolarHBondContact NE2-O 2.87Å
519	Q	89.2	Confident	93.2	Very high	132 Å²	132	34.3 Å²	34.3	62%	0.617	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.3	6.1	178.4	-58	-63.6	77.2	0	0	113.4	F517	F517-Q519 PolarHBondContact O-N 3.28Å; F517-Q519 VanDerWaalsContact O-N 3.12Å
520	I	91.8	Very high	92.4	Very high	45 Å²	45	36.7 Å²	36.7	23%	0.231	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-99.9	127.1	-175.4	-60	170.5	0	0	0	108.9	Y350 F352 Q516 F517 P522	Y350-I520 HydrophobicContact CD1-CG2 4.01Å; Y350-I520 HydrophobicContact CD2-CG2 4.16Å; Y350-I520 HydrophobicContact CE1-CD1 4.15Å; Y350-I520 HydrophobicContact CE1-CG2 3.6Å; Y350-I520 HydrophobicContact CE2-CG2 3.76Å; Y350-I520 HydrophobicContact CG-CG2 4.29Å; Y350-I520 VanDerWaalsContact CZ-CG2 3.47Å; F352-I520 HydrophobicContact CD1-CD1 3.53Å; F352-I520 HydrophobicContact CE1-CD1 3.58Å; Q516-I520 CarbonylContact C-O 3.56Å; Q516-I520 VanDerWaalsContact CA-O 3.29Å; Q516-I520 WeakPolarHBondContact CA-O 3.25Å; F517-I520 PolarHBondContact N-O 2.81Å; F517-I520 WeakPolarHBondContact O-CB 3.34Å; F517-I520 PolarHBondContact O-N 2.7Å; I520-P522 HydrophobicContact CG2-CG 4.21Å; I520-P522 WeakPolarHBondContact O-CD 3.26Å
521	A	94.8	Very high	91.6	Very high	11 Å²	11	43.9 Å²	43.9	9%	0.091	22%	0.221	C	C	.	.			trans	-115.9	86	175.3	0	0	0	0	0	110.6	A328 V515 L523 K524 A525	A328-A521 HydrophobicContact CB-CB 4.08Å; V515-A521 WeakPolarHBondContact O-CA 3.37Å; A521-L523 VanDerWaalsContact C-N 3.29Å; A521-L523 PolarHBondContact O-N 2.85Å; A521-K524 HydrophobicContact CB-CB 3.93Å; A521-K524 PolarHBondContact O-N 3.33Å; A521-A525 PolarHBondContact O-N 3.31Å
522	P	94.6	Very high	90.9	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-57.5	-40.2	-172.2	-27	35.6	0	0	0	113.9	L348 Y350 L485 V515 I520 A525 A526	L348-P522 HydrophobicContact CD2-CB 3.92Å; Y350-P522 HydrophobicContact CD2-CB 4.05Å; Y350-P522 HydrophobicContact CD2-CG 4.34Å; Y350-P522 HydrophobicContact CG-CB 4.29Å; Y350-P522 HydrophobicContact CG-CG 4.31Å; L485-P522 HydrophobicContact CD1-CG 4.04Å; L485-P522 HydrophobicContact CD2-CB 4.33Å; L485-P522 HydrophobicContact CD2-CG 3.85Å; V515-P522 WeakPolarHBondContact O-CD 3.44Å; I520-P522 HydrophobicContact CG2-CG 4.21Å; I520-P522 WeakPolarHBondContact O-CD 3.26Å; P522-A525 PolarHBondContact O-N 3.08Å; P522-A526 WeakPolarHBondContact O-CB 3.28Å; P522-A526 PolarHBondContact O-N 3.44Å
523	L	94.4	Very high	90.3	Very high	2 Å²	2	47 Å²	47	1%	0.01	25%	0.245	C	C	.	.	H	α-helix	trans	-67.8	-39.3	-177.8	-133.8	164.7	0	0	0	111.2	A340 F342 L348 L487 L512 V515 A521 A526 L527 L542	A340-L523 HydrophobicContact CB-CD2 4.14Å; A340-L523 HydrophobicContact CB-CG 4.24Å; F342-L523 HydrophobicContact CE2-CD2 4.03Å; F342-L523 HydrophobicContact CZ-CD2 3.93Å; L348-L523 HydrophobicContact CD1-CD2 3.78Å; L487-L523 HydrophobicContact CD1-CD2 3.82Å; L512-L523 HydrophobicContact CB-CD1 4.02Å; L512-L523 VanDerWaalsContact O-CD1 3.26Å; L512-L523 WeakPolarHBondContact O-CD1 3.37Å; V515-L523 HydrophobicContact CB-CB 4.46Å; V515-L523 HydrophobicContact CB-CD1 4.16Å; V515-L523 HydrophobicContact CG2-CD1 3.66Å; A521-L523 VanDerWaalsContact C-N 3.29Å; A521-L523 PolarHBondContact O-N 2.85Å; L523-A526 WeakPolarHBondContact O-CB 3.26Å; L523-A526 PolarHBondContact O-N 2.85Å; L523-L527 WeakPolarHBondContact O-CB 3.31Å; L523-L527 WeakPolarHBondContact O-CG 3.38Å; L523-L527 PolarHBondContact O-N 2.84Å; L523-L527 VanDerWaalsContact O-N 3.11Å; L523-L542 HydrophobicContact CD2-CD2 4.49Å
524	K	94.3	Very high	89.9	Confident	18 Å²	18	49.9 Å²	49.9	8%	0.078	27%	0.269	C	S	.	.	H	α-helix	trans	-69.4	-41.9	174	-172.6	175.8	-177.7	165.5	0	111.9	C324 T327 Y329 D330 V338 A521 A526 L527 R528	C324-K524 PolarHBondContact O-NZ 3.41Å; T327-K524 WeakPolarHBondContact O-CD 3.29Å; Y329-K524 PolarHBondContact O-NZ 2.78Å; D330-K524 WeakPolarHBondContact OD1-CE 3.09Å; D330-K524 IonicContact OD1-NZ 3.65Å; D330-K524 PolarHBondContact OD1-NZ 2.95Å; V338-K524 HydrophobicContact CB-CB 4.43Å; V338-K524 HydrophobicContact CG1-CB 4.09Å; V338-K524 HydrophobicContact CG1-CG 4.48Å; V338-K524 HydrophobicContact CG2-CB 4.47Å; V338-K524 HydrophobicContact CG2-CD 4.32Å; V338-K524 HydrophobicContact CG2-CG 4.28Å; A521-K524 HydrophobicContact CB-CB 3.93Å; A521-K524 PolarHBondContact O-N 3.33Å; K524-A526 PolarHBondContact O-N 2.89Å; K524-L527 PolarHBondContact O-N 3.36Å; K524-R528 HydrophobicContact CG-CG 3.85Å; K524-R528 VanDerWaalsContact O-CB 3.31Å; K524-R528 WeakPolarHBondContact O-CB 3.25Å; K524-R528 WeakPolarHBondContact O-CG 3.08Å; K524-R528 PolarHBondContact O-N 2.89Å
525	A	92.7	Very high	89.7	Confident	7 Å²	7	48.2 Å²	48.2	6%	0.058	26%	0.264	C	S	.	.	H	α-helix	trans	-61.5	-30.5	175.5	0	0	0	0	0	112.8	Y350 A521 P522 A532 S533 V536	Y350-A525 HydrophobicContact CE2-CB 4.27Å; A521-A525 PolarHBondContact O-N 3.31Å; P522-A525 PolarHBondContact O-N 3.08Å; A525-A532 HydrophobicContact CB-CB 3.71Å; A525-S533 WeakPolarHBondContact O-CB 3.35Å; A525-S533 PolarHBondContact O-OG 3.18Å; A525-V536 HydrophobicContact CB-CG2 3.78Å
526	A	93	Very high	89.6	Confident	28 Å²	28	49.1 Å²	49.1	23%	0.231	27%	0.27	C	S	.	.	H	α-helix	trans	-72.5	-44.6	173.9	0	0	0	0	0	112.9	L348 P522 L523 K524 V536 I538 L542	L348-A526 HydrophobicContact CD1-CB 3.68Å; P522-A526 WeakPolarHBondContact O-CB 3.28Å; P522-A526 PolarHBondContact O-N 3.44Å; L523-A526 WeakPolarHBondContact O-CB 3.26Å; L523-A526 PolarHBondContact O-N 2.85Å; K524-A526 PolarHBondContact O-N 2.89Å; A526-V536 HydrophobicContact CB-CG1 3.87Å; A526-I538 HydrophobicContact CB-CD1 3.83Å; A526-L542 HydrophobicContact CB-CD2 3.71Å
527	L	92.1	Very high	89.5	Confident	38 Å²	38	52.1 Å²	52.1	20%	0.199	28%	0.284	C	S	.	.	H	α-helix	trans	-88.5	-14.9	-172.8	-67.3	172.2	0	0	0	114.2	V338 A340 L523 K524 L542 E544	V338-L527 HydrophobicContact CG1-CD1 3.75Å; A340-L527 HydrophobicContact CB-CD1 4.38Å; L523-L527 WeakPolarHBondContact O-CB 3.31Å; L523-L527 WeakPolarHBondContact O-CG 3.38Å; L523-L527 PolarHBondContact O-N 2.84Å; L523-L527 VanDerWaalsContact O-N 3.11Å; K524-L527 PolarHBondContact O-N 3.36Å; L527-L542 HydrophobicContact CD2-CD2 3.9Å; L527-L542 HydrophobicContact CD2-CG 4.24Å; L527-L542 HydrophobicContact CG-CD2 4.1Å; L527-E544 HydrophobicContact CD1-CB 4.15Å; L527-E544 HydrophobicContact CD1-CG 4.14Å; L527-E544 HydrophobicContact CD2-CB 4.19Å
528	R	91.1	Very high	89.4	Confident	64 Å²	64	55 Å²	55	24%	0.242	30%	0.299	C	S	.	.	S	Bend	trans	-120.7	127.1	179.6	-53.2	-62.3	176.9	-110.7	0.6	109	D330 K524 T530 S533 E544	D330-R528 IonicContact OD2-CZ 2.81Å; D330-R528 VanDerWaalsContact OD2-CZ 3.23Å; D330-R528 IonicContact OD2-NE 3.16Å; D330-R528 PolarHBondContact OD2-NE 2.89Å; D330-R528 IonicContact OD2-NH2 3.58Å; D330-R528 PolarHBondContact OD2-NH2 3Å; K524-R528 HydrophobicContact CG-CG 3.85Å; K524-R528 VanDerWaalsContact O-CB 3.31Å; K524-R528 WeakPolarHBondContact O-CB 3.25Å; K524-R528 WeakPolarHBondContact O-CG 3.08Å; K524-R528 PolarHBondContact O-N 2.89Å; R528-T530 HydrophobicContact CB-CG2 4.11Å; R528-T530 PolarHBondContact O-N 3.46Å; R528-T530 PolarHBondContact O-OG1 3.24Å; R528-S533 PolarHBondContact O-OG 3.48Å; R528-E544 IonicContact CZ-OE1 3.91Å; R528-E544 IonicContact CZ-OE2 2.7Å; R528-E544 IonicContact NH1-OE1 3Å; R528-E544 IonicContact NH1-OE2 3.73Å; R528-E544 PolarHBondContact NH1-OE2 3.07Å; R528-E544 IonicContact NH2-OE1 3.67Å; R528-E544 PolarHBondContact NH2-OE1 3.05Å; R528-E544 IonicContact NH2-OE2 3.59Å; R528-E544 PolarHBondContact NH2-OE2 2.86Å
529	Q	79.8	Confident	89.5	Confident	203 Å²	203	58.4 Å²	58.4	95%	0.949	31%	0.313	S	S	*	.			trans	-70.3	97.2	179.9	-151.6	168.3	15.4	0	0	109.6
530	T	78.1	Confident	89.5	Confident	71 Å²	71	54.3 Å²	54.3	44%	0.436	31%	0.306	S	S	.	.	S	Bend	trans	-135.4	169.6	-174.8	59.1	0	0	0	0	110.1	R528 A532 S533	R528-T530 HydrophobicContact CB-CG2 4.11Å; R528-T530 PolarHBondContact O-N 3.46Å; R528-T530 PolarHBondContact O-OG1 3.24Å; T530-A532 PolarHBondContact O-N 3.38Å; T530-A532 VanDerWaalsContact O-N 3.17Å; T530-S533 PolarHBondContact N-OG 2.94Å; T530-S533 WeakPolarHBondContact O-CB 3.2Å; T530-S533 PolarHBondContact O-N 2.86Å; T530-S533 PolarHBondContact O-OG 3.19Å; T530-S533 VanDerWaalsContact O-OG 3.07Å; T530-S533 PolarHBondContact OG1-OG 3.35Å
531	N	77.3	Confident	89.4	Confident	160 Å²	160	59.5 Å²	59.5	86%	0.856	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-59.5	-26.7	173.7	-68.2	-14.1	0	0	0	112.3	S533	N531-S533 VanDerWaalsContact C-N 3.26Å; N531-S533 PolarHBondContact O-N 2.97Å
532	A	80.3	Confident	89.1	Confident	33 Å²	33	60.4 Å²	60.4	27%	0.273	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-70	-20.9	175.6	0	0	0	0	0	112.8	A525 T530 A534 H535	A525-A532 HydrophobicContact CB-CB 3.71Å; T530-A532 PolarHBondContact O-N 3.38Å; T530-A532 VanDerWaalsContact O-N 3.17Å; A532-A534 PolarHBondContact O-N 2.88Å; A532-H535 WeakPolarHBondContact O-CB 3.25Å; A532-H535 PolarHBondContact O-N 2.92Å
533	S	83.8	Confident	88.8	Confident	36 Å²	36	64.4 Å²	64.4	25%	0.252	36%	0.357	S	S	.	.	G	3₁₀ helix	trans	-61.7	-26.7	179.7	-52.8	0	0	0	0	113	A525 R528 T530 N531 H535 V536	A525-S533 WeakPolarHBondContact O-CB 3.35Å; A525-S533 PolarHBondContact O-OG 3.18Å; R528-S533 PolarHBondContact O-OG 3.48Å; T530-S533 PolarHBondContact N-OG 2.94Å; T530-S533 WeakPolarHBondContact O-CB 3.2Å; T530-S533 PolarHBondContact O-N 2.86Å; T530-S533 PolarHBondContact O-OG 3.19Å; T530-S533 VanDerWaalsContact O-OG 3.07Å; T530-S533 PolarHBondContact OG1-OG 3.35Å; N531-S533 VanDerWaalsContact C-N 3.26Å; N531-S533 PolarHBondContact O-N 2.97Å; S533-H535 PolarHBondContact O-N 2.78Å; S533-V536 PolarHBondContact O-N 3.27Å; S533-V536 VanDerWaalsContact O-N 3.13Å
534	A	87.7	Confident	88.7	Confident	65 Å²	65	68 Å²	68	54%	0.537	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	-64.1	-17.7	175.3	0	0	0	0	0	113.9	A532	A532-A534 PolarHBondContact O-N 2.88Å
535	H	90.1	Very high	88.4	Confident	39 Å²	39	68.8 Å²	68.8	18%	0.181	38%	0.382	C	S	.	.	G	3₁₀ helix	trans	-92.8	-7	179.2	-61.2	80	0	0	0	112.7	Y350 N351 A532 S533	Y350-H535 WeakPolarHBondContact CA-O 3.48Å; Y350-H535 HydrophobicContact CD2-CB 4.35Å; Y350-H535 HydrophobicContact CE1-CB 4.19Å; Y350-H535 HydrophobicContact CE2-CB 3.87Å; N351-H535 PolarHBondContact N-O 2.97Å; N351-H535 WeakPolarHBondContact O-CB 3.15Å; N351-H535 PolarHBondContact O-CD2 2.69Å; N351-H535 VanDerWaalsContact O-CD2 3.3Å; A532-H535 WeakPolarHBondContact O-CB 3.25Å; A532-H535 PolarHBondContact O-N 2.92Å; S533-H535 PolarHBondContact O-N 2.78Å
536	V	93.4	Very high	88	Confident	19 Å²	19	73.8 Å²	73.8	12%	0.115	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	131.7	-173.6	-174.2	0	0	0	0	110.1	L348 R349 Y350 A525 A526 S533 I538	L348-V536 HydrophobicContact CD1-CG1 4.28Å; L348-V536 HydrophobicContact CD2-CG1 4.27Å; L348-V536 HydrophobicContact CG-CG1 4Å; R349-V536 CarbonylContact O-C 3.48Å; R349-V536 WeakPolarHBondContact O-CA 3.26Å; Y350-V536 HydrophobicContact CD2-CG2 3.81Å; Y350-V536 HydrophobicContact CE2-CG2 4.21Å; A525-V536 HydrophobicContact CB-CG2 3.78Å; A526-V536 HydrophobicContact CB-CG1 3.87Å; S533-V536 PolarHBondContact O-N 3.27Å; S533-V536 VanDerWaalsContact O-N 3.13Å; V536-I538 HydrophobicContact CG1-CD1 4.04Å; V536-I538 HydrophobicContact CG1-CG1 3.78Å
537	H	93.9	Very high	87.6	Confident	75 Å²	75	72.8 Å²	72.8	35%	0.347	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	136.4	170.3	-58.1	-82.1	0	0	0	109.2	W347 L348 R349 N351	W347-H537 HydrophobicContact CH2-CB 4.04Å; W347-H537 HydrophobicContact CZ3-CB 3.82Å; W347-H537 VanDerWaalsContact CZ3-O 3.3Å; W347-H537 WeakPolarHBondContact CZ3-O 3.12Å; L348-H537 WeakPolarHBondContact CA-O 3.38Å; R349-H537 HydrophobicContact CB-CB 4.41Å; R349-H537 PolarHBondContact N-O 2.64Å; R349-H537 PolarHBondContact O-N 3.22Å; N351-H537 PolarHBondContact ND2-CD2 2.82Å; N351-H537 VanDerWaalsContact ND2-CD2 3.28Å; N351-H537 PolarHBondContact ND2-NE2 2.93Å; N351-H537 VanDerWaalsContact ND2-NE2 3.1Å
538	I	93.4	Very high	86.5	Confident	65 Å²	65	73.3 Å²	73.3	33%	0.333	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	141	-173.2	-51.8	173.4	0	0	0	108.7	W347 L348 A526 V536 L542	W347-I538 WeakPolarHBondContact O-CA 3.19Å; L348-I538 HydrophobicContact CD1-CG1 4.5Å; L348-I538 HydrophobicContact CG-CG1 4.3Å; A526-I538 HydrophobicContact CB-CD1 3.83Å; V536-I538 HydrophobicContact CG1-CD1 4.04Å; V536-I538 HydrophobicContact CG1-CG1 3.78Å; I538-L542 HydrophobicContact CD1-CB 4.46Å; I538-L542 HydrophobicContact CD1-CD2 4.19Å; I538-L542 HydrophobicContact CG2-CB 4.3Å
539	Q	94.1	Very high	85.1	Confident	116 Å²	116	71.5 Å²	71.5	54%	0.542	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	128.1	165	-179.6	72.3	31.7	0	0	109.6	M346 W347	M346-Q539 WeakPolarHBondContact CA-O 3.41Å; W347-Q539 HydrophobicContact CD2-CB 3.89Å; W347-Q539 HydrophobicContact CG-CB 4.03Å; W347-Q539 HydrophobicContact CZ2-CB 3.65Å; W347-Q539 PolarHBondContact N-O 2.94Å; W347-Q539 PolarHBondContact O-N 3.44Å
540	G	89.5	Confident	83.8	Confident	46 Å²	46	67 Å²	67	47%	0.474	40%	0.402	S	S	.	.	S	Bend	trans	95.3	175	-169.9	0	0	0	0	0	111.8
541	E	88.4	Confident	82.3	Confident	154 Å²	154	68.7 Å²	68.7	72%	0.72	42%	0.415	S	S	*	.			trans	-92.6	111.9	177	-172.4	174.4	176.9	0	0	109.9	M346 V543	M346-E541 WeakPolarHBondContact CE-O 3.35Å; E541-V543 HydrophobicContact CG-CG2 4.37Å; E541-V543 PolarHBondContact O-N 2.79Å
542	L	89.3	Confident	80.5	Confident	30 Å²	30	67.4 Å²	67.4	16%	0.157	41%	0.407	C	S	.	.			trans	-84.3	111.7	179.6	-169.6	75.5	0	0	0	110	A340 F342 L348 L523 A526 L527 I538	A340-L542 HydrophobicContact CB-CD1 3.54Å; A340-L542 HydrophobicContact CB-CD2 4.19Å; A340-L542 HydrophobicContact CB-CG 3.76Å; F342-L542 HydrophobicContact CE1-CD1 4.28Å; F342-L542 HydrophobicContact CE2-CD1 4.09Å; F342-L542 HydrophobicContact CZ-CD1 3.9Å; L348-L542 HydrophobicContact CD1-CD2 4.04Å; L523-L542 HydrophobicContact CD2-CD2 4.49Å; A526-L542 HydrophobicContact CB-CD2 3.71Å; L527-L542 HydrophobicContact CD2-CD2 3.9Å; L527-L542 HydrophobicContact CD2-CG 4.24Å; L527-L542 HydrophobicContact CG-CD2 4.1Å; I538-L542 HydrophobicContact CD1-CB 4.46Å; I538-L542 HydrophobicContact CD1-CD2 4.19Å; I538-L542 HydrophobicContact CG2-CB 4.3Å
543	V	88.8	Confident	78.4	Confident	83 Å²	83	72.2 Å²	72.2	50%	0.503	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	127.1	-179.9	-177.1	0	0	0	0	110.3	A340 F341 E541 S545	A340-V543 VanDerWaalsContact CA-O 3.28Å; A340-V543 WeakPolarHBondContact CA-O 3.4Å; F341-V543 PolarHBondContact N-O 3.2Å; F341-V543 VanDerWaalsContact N-O 3.1Å; E541-V543 HydrophobicContact CG-CG2 4.37Å; E541-V543 PolarHBondContact O-N 2.79Å; V543-S545 PolarHBondContact O-N 3.49Å
544	E	91.5	Very high	76.3	Confident	77 Å²	77	75.8 Å²	75.8	36%	0.36	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	133.8	175	-175.6	170.9	176	0	0	110.5	G339 L527 R528	G339-E544 WeakPolarHBondContact O-CA 3.4Å; L527-E544 HydrophobicContact CD1-CB 4.15Å; L527-E544 HydrophobicContact CD1-CG 4.14Å; L527-E544 HydrophobicContact CD2-CB 4.19Å; R528-E544 IonicContact CZ-OE1 3.91Å; R528-E544 IonicContact CZ-OE2 2.7Å; R528-E544 IonicContact NH1-OE1 3Å; R528-E544 IonicContact NH1-OE2 3.73Å; R528-E544 PolarHBondContact NH1-OE2 3.07Å; R528-E544 IonicContact NH2-OE1 3.67Å; R528-E544 PolarHBondContact NH2-OE1 3.05Å; R528-E544 IonicContact NH2-OE2 3.59Å; R528-E544 PolarHBondContact NH2-OE2 2.86Å
545	S	89.3	Confident	73.5	Confident	36 Å²	36	77.7 Å²	77.7	25%	0.252	46%	0.459	S	S	.	.			trans	-143	145.3	-179	179	0	0	0	0	110.7	G339 C511 V543 C547	G339-S545 CarbonylContact C-O 3.56Å; G339-S545 VanDerWaalsContact C-O 3.23Å; G339-S545 WeakPolarHBondContact CA-O 3.41Å; G339-S545 PolarHBondContact O-N 3.45Å; C511-S545 VanDerWaalsContact SG-CB 3.6Å; C511-S545 PolarHBondContact SG-OG 2.82Å; C511-S545 VanDerWaalsContact SG-OG 3.37Å; V543-S545 PolarHBondContact O-N 3.49Å; S545-C547 PolarHBondContact O-N 3.44Å; S545-C547 PolarHBondContact OG-N 3.03Å
546	N	83.4	Confident	70.7	Confident	111 Å²	111	81.9 Å²	81.9	59%	0.594	49%	0.489	S	S	*	.			trans	-76	-4.2	174.7	69	-1.5	0	0	0	112.9	G548 A549	N546-G548 PolarHBondContact O-N 2.95Å; N546-G548 PolarHBondContact OD1-N 3.47Å; N546-A549 VanDerWaalsContact O-CB 3.25Å; N546-A549 WeakPolarHBondContact O-CB 3.45Å; N546-A549 PolarHBondContact O-N 3.04Å
547	C	84.2	Confident	67.8	Low	8 Å²	8	88.8 Å²	88.8	5%	0.054	52%	0.522	C	S	.	.	T	Hydrogen-bonded Turn	trans	48.7	29.5	179	-60.2	0	0	0	0	115.2	C511 L512 S545 A549	C511-C547 HydrophobicContact CB-CB 3.57Å; C511-C547 WeakPolarHBondContact CB-SG 3.28Å; C511-C547 WeakPolarHBondContact SG-CA 3.34Å; C511-C547 WeakPolarHBondContact SG-CB 3.33Å; C511-C547 CovalentContact SG-SG 2.02Å; C511-C547 PolarHBondContact SG-SG 3.17Å; L512-C547 VanDerWaalsContact C-SG 3.58Å; L512-C547 PolarHBondContact O-SG 2.93Å; L512-C547 VanDerWaalsContact O-SG 3.33Å; S545-C547 PolarHBondContact O-N 3.44Å; S545-C547 PolarHBondContact OG-N 3.03Å; C547-A549 PolarHBondContact O-N 2.86Å
548	G	69.3	Low	64.9	Low	48 Å²	48	90.6 Å²	90.6	50%	0.495	54%	0.543	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.7	14.8	-176.9	0	0	0	0	0	114.7	N546 S550	N546-G548 PolarHBondContact O-N 2.95Å; N546-G548 PolarHBondContact OD1-N 3.47Å; G548-S550 PolarHBondContact O-N 3.02Å
549	A	61.1	Low	62.2	Low	26 Å²	26	92.3 Å²	92.3	22%	0.215	56%	0.561	C	S	.	*			trans	-63	115.8	170.5	0	0	0	0	0	109.3	D337 N546 C547	D337-A549 WeakPolarHBondContact OD2-CB 3.37Å; N546-A549 VanDerWaalsContact O-CB 3.25Å; N546-A549 WeakPolarHBondContact O-CB 3.45Å; N546-A549 PolarHBondContact O-N 3.04Å; C547-A549 PolarHBondContact O-N 2.86Å
550	S	53.6	Low	59.5	Low	108 Å²	108	91.5 Å²	91.5	76%	0.755	57%	0.574	S	S	*	*			trans	-67.7	125.7	169.7	-63	0	0	0	0	107.9	G548 L552	G548-S550 PolarHBondContact O-N 3.02Å; S550-L552 PolarHBondContact O-N 3.5Å
551	P	45.1	Very low	56.9	Low	108 Å²	108	95.4 Å²	95.4	70%	0.701	59%	0.589	S	S	*	*			trans	-60.5	128.6	174.6	23.9	-30.6	0	0	0	108.4	T553	P551-T553 PolarHBondContact O-N 2.71Å
552	L	39.8	Very low	54.3	Low	133 Å²	133	92.9 Å²	92.9	70%	0.696	58%	0.58	S	S	*	*			trans	-62	105.4	163.4	-75.3	165	0	0	0	106.2	S550 L554	S550-L552 PolarHBondContact O-N 3.5Å; L552-L554 PolarHBondContact O-N 2.7Å
553	T	36.2	Very low	51.6	Low	133 Å²	133	96.6 Å²	96.6	82%	0.816	61%	0.606	S	S	*	*			trans	-70.9	74.6	173	54.4	0	0	0	0	108.4	P551 S555	P551-T553 PolarHBondContact O-N 2.71Å; T553-S555 PolarHBondContact O-N 3.15Å
554	L	40	Very low	49	Very low	111 Å²	111	102.7 Å²	102.7	58%	0.581	62%	0.62	S	S	*	*			trans	-67.6	117.4	152.5	-74.9	164.6	0	0	0	105.2	L552	L552-L554 PolarHBondContact O-N 2.7Å
555	S	28.5	Very low	46.1	Very low	106 Å²	106	106 Å²	106	74%	0.741	64%	0.635	S	S	*	*			trans	-43.7	132.9	170.5	-55.8	0	0	0	0	108.3	T553 M557	T553-S555 PolarHBondContact O-N 3.15Å; S555-M557 PolarHBondContact O-N 3.41Å
556	P	31.4	Very low	43.5	Very low	126 Å²	126	110.6 Å²	110.6	82%	0.818	66%	0.656	S	S	*	*			trans	-58.1	108	175.2	22.7	-29.1	0	0	0	106.7	S558	P556-S558 PolarHBondContact O-N 3.37Å; P556-S558 VanDerWaalsContact O-N 3.14Å
557	M	33.6	Very low	41	Very low	165 Å²	165	111.8 Å²	111.8	81%	0.813	66%	0.663	S	S	*	*			trans	-64.6	116.9	164.4	-155.9	174.7	-73.3	0	0	103.6	S555 S559	S555-M557 PolarHBondContact O-N 3.41Å; M557-S559 PolarHBondContact O-N 2.76Å
558	S	32.6	Very low	38.7	Very low	112 Å²	112	118.9 Å²	118.9	78%	0.783	70%	0.695	S	S	*	*			trans	-39.9	111.8	-175.6	0.1	0	0	0	0	109.2	P556 A560	P556-S558 PolarHBondContact O-N 3.37Å; P556-S558 VanDerWaalsContact O-N 3.14Å; S558-A560 PolarHBondContact O-N 3.2Å; S558-A560 VanDerWaalsContact O-N 3.15Å
559	S	36.8	Very low	36.8	Very low	102 Å²	102	124.7 Å²	124.7	71%	0.713	71%	0.714	S	S	*	*			trans	-47.1	125.5	163.6	48.4	0	0	0	0	106.1	M557 T561	M557-S559 PolarHBondContact O-N 2.76Å; S559-T561 PolarHBondContact O-N 3.04Å
560	A	38.3	Very low	35.3	Very low	98 Å²	98	130.4 Å²	130.4	81%	0.81	74%	0.74	S	S	*	*			trans	-46.9	113.1	169.7	0	0	0	0	0	106.7	S558 D562	S558-A560 PolarHBondContact O-N 3.2Å; S558-A560 VanDerWaalsContact O-N 3.15Å; A560-D562 PolarHBondContact O-N 2.77Å
561	T	33.7	Very low	34.2	Very low	129 Å²	129	130.6 Å²	130.6	79%	0.791	74%	0.742	S	S	*	*			trans	-54.9	110	179.2	18.9	0	0	0	0	107.4	S559 P563	S559-T561 PolarHBondContact O-N 3.04Å; T561-P563 VanDerWaalsContact O-CD 3.23Å; T561-P563 WeakPolarHBondContact O-CD 3.33Å
562	D	34.2	Very low	33.3	Very low	101 Å²	101	130 Å²	130	54%	0.54	75%	0.747	S	S	.	*			trans	-64.2	116	162.5	178.8	2.1	0	0	0	107.5	A560 W564 H565	A560-D562 PolarHBondContact O-N 2.77Å; D562-W564 PolarHBondContact O-N 2.94Å; D562-W564 PolarHBondContact OD1-N 3.25Å; D562-H565 IonicContact OD2-CD2 2.8Å
563	P	32.9	Very low	32.7	Very low	107 Å²	107	129 Å²	129	70%	0.695	75%	0.75	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.8	2.2	-179.8	-12.3	29.6	0	0	0	114.3	T561	T561-P563 VanDerWaalsContact O-CD 3.23Å; T561-P563 WeakPolarHBondContact O-CD 3.33Å
564	W	33.1	Very low	32.3	Very low	212 Å²	212	127.6 Å²	127.6	80%	0.803	75%	0.752	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.9	16.2	-167.3	-67.5	106.2	0	0	0	117.4	D562 L566	D562-W564 PolarHBondContact O-N 2.94Å; D562-W564 PolarHBondContact OD1-N 3.25Å; W564-L566 PolarHBondContact O-N 2.95Å; W564-L566 VanDerWaalsContact O-N 3.1Å
565	H	30.8	Very low	31.6	Very low	145 Å²	145	129.1 Å²	129.1	67%	0.671	76%	0.761	S	S	*	*			trans	-81.8	88.8	163	-106.9	-63.4	0	0	0	111	D562 D567	D562-H565 IonicContact OD2-CD2 2.8Å; H565-D567 VanDerWaalsContact C-N 3.35Å; H565-D567 IonicContact ND1-OD1 3.89Å; H565-D567 IonicContact ND1-OD2 2.76Å; H565-D567 PolarHBondContact O-N 2.88Å
566	L	35.7	Very low	31.4	Very low	133 Å²	133	133.9 Å²	133.9	70%	0.696	77%	0.769	S	S	*	*			trans	-87.9	74.5	166.4	-139.2	108.7	0	0	0	108.7	W564 H568	W564-L566 PolarHBondContact O-N 2.95Å; W564-L566 VanDerWaalsContact O-N 3.1Å; L566-H568 PolarHBondContact O-N 2.88Å
567	D	30.6	Very low	31.3	Very low	136 Å²	136	133.7 Å²	133.7	73%	0.727	77%	0.767	S	S	*	*			trans	-83.1	100.5	168.9	-81.5	-8.2	0	0	0	109.2	H565 L569	H565-D567 VanDerWaalsContact C-N 3.35Å; H565-D567 IonicContact ND1-OD1 3.89Å; H565-D567 IonicContact ND1-OD2 2.76Å; H565-D567 PolarHBondContact O-N 2.88Å; D567-L569 PolarHBondContact O-N 3.04Å
568	H	35.1	Very low	30.7	Very low	158 Å²	158	135.5 Å²	135.5	73%	0.731	77%	0.766	S	S	*	*			trans	-53	122.7	150.2	-74.3	-85.1	0	0	0	109.2	L566	L566-H568 PolarHBondContact O-N 2.88Å
569	L	30.8	Very low	30.6	Very low	170 Å²	170	135.3 Å²	135.3	89%	0.89	76%	0.757	S	S	*	*				-164.9	139.9	128.3	-121.7	111.7	0	0	0	112.3	D567	D567-L569 PolarHBondContact O-N 3.04Å
570	D	28.6	Very low	30.6	Very low	145 Å²	145	135.6 Å²	135.6	78%	0.775	76%	0.756	S	S	*	*			trans	-65.7	145.7	-178.1	-70.9	-56.1	0	0	0	114.3
571	S	30	Very low	30	Very low	112 Å²	112	134.4 Å²	134.4	78%	0.783	75%	0.753	S	S	*	*			trans	36.2	112.4	141	60.9	0	0	0	0	120.5
572	A	27.3	Very low	29.9	Very low	97 Å²	97	137.8 Å²	137.8	80%	0.802	76%	0.76	S	S	*	*				-158.1	109	129.3	0	0	0	0	0	111.4
573	S	26.6	Very low	29.6	Very low	111 Å²	111	136.4 Å²	136.4	78%	0.776	77%	0.77	S	S	*	*			trans	-3.4	128.6	154.4	54.4	0	0	0	0	120.1
574	A	27.2	Very low	29.4	Very low	103 Å²	103	140.5 Å²	140.5	85%	0.851	78%	0.78	S	S	*	*			trans	-136.4	109.3	134.2	0	0	0	0	0	108.8
575	D	25.2	Very low	29.3	Very low	143 Å²	143	135.1 Å²	135.1	77%	0.765	78%	0.781	S	S	*	*			trans	-54.8	137.4	176.9	-85	-45.2	0	0	0	113.3
576	F	24.5	Very low	29.4	Very low	206 Å²	206	136.4 Å²	136.4	90%	0.904	79%	0.791	S	S	*	*			trans	-147.2	145.5	135.5	-81.4	-72.4	0	0	0	110.4
577	P	29.4	Very low	29.3	Very low	122 Å²	122	140.8 Å²	140.8	79%	0.792	80%	0.798	S	S	*	*			trans	-90	141.5	-153.2	14.8	-0.4	0	0	0	115
578	Y	22.6	Very low	29.5	Very low	203 Å²	203	141.9 Å²	141.9	80%	0.796	80%	0.804	S	S	*	*			trans	-50.7	143.4	160	-155.9	-133.7	0	0	0	110.2
579	N	29.7	Very low	29.4	Very low	108 Å²	108	138.2 Å²	138.2	58%	0.578	81%	0.808	S	S	*	*				170.9	-179.6	69.1	-148.8	1	0	0	0	109.8
580	P	36.7	Very low	30	Very low	109 Å²	109	136.5 Å²	136.5	71%	0.708	81%	0.805	S	S	*	*				-119.6	159.7	-79.2	28.5	-11	0	0	0	114.1
581	G	25.9	Very low	30.9	Very low	72 Å²	72	135.9 Å²	135.9	74%	0.742	80%	0.801	S	S	*	*			trans	175.7	111.4	160.8	0	0	0	0	0	114.8
582	Q	31.3	Very low	32.1	Very low	200 Å²	200	140.8 Å²	140.8	94%	0.935	80%	0.803	S	S	*	*			trans	71	91.1	165.6	-77.4	175.8	-22.1	0	0	118.8
583	G	28.5	Very low	33.4	Very low	73 Å²	73	141.3 Å²	141.3	75%	0.753	79%	0.792	S	S	*	*			trans	-76.6	132.8	150.8	0	0	0	0	0	111.3
584	Q	28.9	Very low	35	Very low	192 Å²	192	139.6 Å²	139.6	90%	0.897	78%	0.78	S	S	*	*			trans	-163.8	115.4	133.4	-117.4	164.9	-19.2	0	0	110.2	I586	Q584-I586 PolarHBondContact O-N 2.78Å
585	A	31.1	Very low	36.8	Very low	99 Å²	99	138.2 Å²	138.2	82%	0.818	77%	0.769	S	S	*	*			trans	-62.3	124.2	174.9	0	0	0	0	0	110.8	R587	A585-R587 VanDerWaalsContact C-N 3.28Å; A585-R587 PolarHBondContact O-N 2.75Å
586	I	32.2	Very low	38.8	Very low	172 Å²	172	136.5 Å²	136.5	88%	0.882	76%	0.758	S	S	*	*			trans	-76.6	87.9	165.9	-59.2	177.6	0	0	0	107.4	Q584	Q584-I586 PolarHBondContact O-N 2.78Å
587	R	32.5	Very low	41	Very low	225 Å²	225	131.7 Å²	131.7	85%	0.849	74%	0.741	S	S	*	*			trans	-82.9	111.9	154.8	-162.6	-176.4	-162.8	-168.4	5.3	105.6	A585	A585-R587 VanDerWaalsContact C-N 3.28Å; A585-R587 PolarHBondContact O-N 2.75Å
588	N	34.8	Very low	43.1	Very low	160 Å²	160	127.8 Å²	127.8	86%	0.856	72%	0.723	S	S	*	*			trans	178.1	123.3	145.4	-89	-21.4	0	0	0	112.8
589	G	34.5	Very low	45.8	Very low	80 Å²	80	119.7 Å²	119.7	83%	0.825	70%	0.701	S	S	*	*			trans	-171.6	32.2	167.8	0	0	0	0	0	112.4
590	V	42	Very low	48.4	Very low	134 Å²	134	118.8 Å²	118.8	81%	0.812	70%	0.699	S	S	*	*	S	Bend	trans	-111.7	119.4	170	-169.3	0	0	0	0	108	R592	V590-R592 PolarHBondContact O-N 3.12Å
591	N	48.3	Very low	50.7	Low	132 Å²	132	118 Å²	118	71%	0.706	69%	0.689	S	S	*	*			trans	-49.8	120.7	-173.4	-98	-35.4	0	0	0	113.4	N593 S594	N591-N593 PolarHBondContact O-N 3.22Å; N591-S594 PolarHBondContact O-N 2.86Å; N591-S594 PolarHBondContact O-OG 2.94Å
592	R	55.5	Low	53.7	Low	216 Å²	216	117.3 Å²	117.3	82%	0.815	68%	0.676	S	S	*	*	H	α-helix	trans	-63.6	-6.7	177.7	-162.9	160.1	66.4	-166.2	2.9	114.4	V590 I596	V590-R592 PolarHBondContact O-N 3.12Å; R592-I596 WeakPolarHBondContact O-CD1 3.23Å
593	N	55	Low	56.5	Low	108 Å²	108	112.2 Å²	112.2	58%	0.578	66%	0.658	S	S	*	*	H	α-helix	trans	-87.9	-21.6	179.9	-62.8	-11.3	0	0	0	113.1	N591 I597	N591-N593 PolarHBondContact O-N 3.22Å; N593-I597 VanDerWaalsContact O-CD1 3.23Å; N593-I597 WeakPolarHBondContact O-CD1 3.48Å; N593-I597 WeakPolarHBondContact O-CG1 3.17Å; N593-I597 PolarHBondContact O-N 3.33Å
594	S	59.4	Low	59.5	Low	74 Å²	74	112.2 Å²	112.2	52%	0.517	64%	0.643	S	S	.	*	H	α-helix	trans	-77.7	-35.2	-178.6	69.6	0	0	0	0	113	N591 I597 G598	N591-S594 PolarHBondContact O-N 2.86Å; N591-S594 PolarHBondContact O-OG 2.94Å; S594-I597 PolarHBondContact O-N 3.48Å; S594-G598 PolarHBondContact O-N 2.64Å
595	A	65	Low	62.6	Low	75 Å²	75	107.4 Å²	107.4	62%	0.62	62%	0.623	S	S	*	*	H	α-helix	trans	-68.5	-35.4	177.4	0	0	0	0	0	112.2	G599	A595-G599 PolarHBondContact O-N 2.72Å
596	I	67.1	Low	65.5	Low	106 Å²	106	109.5 Å²	109.5	54%	0.544	61%	0.613	S	S	.	*	H	α-helix	trans	-69.8	-43.4	175.9	-59.4	173.1	0	0	0	109.9	R592 G599 V600	R592-I596 WeakPolarHBondContact O-CD1 3.23Å; I596-G599 PolarHBondContact O-N 3.37Å; I596-V600 WeakPolarHBondContact O-CG2 3.44Å; I596-V600 PolarHBondContact O-N 2.91Å
597	I	70.7	Confident	68.3	Low	106 Å²	106	104.5 Å²	104.5	54%	0.544	59%	0.591	S	S	.	*	H	α-helix	trans	-64.2	-43.3	177.6	-66.7	165.3	0	0	0	110.9	N593 S594 G599 V600 I601	N593-I597 VanDerWaalsContact O-CD1 3.23Å; N593-I597 WeakPolarHBondContact O-CD1 3.48Å; N593-I597 WeakPolarHBondContact O-CG1 3.17Å; N593-I597 PolarHBondContact O-N 3.33Å; S594-I597 PolarHBondContact O-N 3.48Å; I597-G599 PolarHBondContact O-N 2.86Å; I597-V600 PolarHBondContact O-N 2.92Å; I597-I601 HydrophobicContact CG2-CD1 3.86Å; I597-I601 WeakPolarHBondContact O-CD1 3.4Å; I597-I601 VanDerWaalsContact O-CG1 3.26Å; I597-I601 WeakPolarHBondContact O-CG1 3.47Å; I597-I601 PolarHBondContact O-N 3.11Å; I597-I601 VanDerWaalsContact O-N 3.09Å
598	G	74.3	Confident	71.2	Confident	39 Å²	39	98.3 Å²	98.3	40%	0.402	57%	0.574	S	S	.	*	H	α-helix	trans	-63.3	-39.7	174.6	0	0	0	0	0	113	S594 I601 A602	S594-G598 PolarHBondContact O-N 2.64Å; G598-I601 PolarHBondContact O-N 3.16Å; G598-A602 WeakPolarHBondContact O-CB 2.95Å; G598-A602 PolarHBondContact O-N 2.8Å
599	G	78.4	Confident	73.9	Confident	34 Å²	34	95.5 Å²	95.5	35%	0.351	56%	0.558	S	S	.	*	H	α-helix	trans	-64	-44.8	176.3	0	0	0	0	0	113	A595 I596 I597 A602 V603	A595-G599 PolarHBondContact O-N 2.72Å; I596-G599 PolarHBondContact O-N 3.37Å; I597-G599 PolarHBondContact O-N 2.86Å; G599-A602 PolarHBondContact O-N 2.85Å; G599-V603 WeakPolarHBondContact O-CG2 3.11Å; G599-V603 PolarHBondContact O-N 2.78Å
600	V	84.9	Confident	76.7	Confident	88 Å²	88	94.2 Å²	94.2	53%	0.533	54%	0.536	S	S	.	.	H	α-helix	trans	-64.7	-42.6	178.2	175.5	0	0	0	0	110.8	I596 I597 A602 V603 V604	I596-V600 WeakPolarHBondContact O-CG2 3.44Å; I596-V600 PolarHBondContact O-N 2.91Å; I597-V600 PolarHBondContact O-N 2.92Å; V600-A602 VanDerWaalsContact C-N 3.35Å; V600-A602 PolarHBondContact O-N 3.43Å; V600-V603 PolarHBondContact O-N 3.45Å; V600-V604 HydrophobicContact CG1-CG2 4.44Å; V600-V604 VanDerWaalsContact O-CG2 3.31Å; V600-V604 WeakPolarHBondContact O-CG2 3.39Å; V600-V604 PolarHBondContact O-N 3.38Å
601	I	85.5	Confident	78.9	Confident	94 Å²	94	91.7 Å²	91.7	48%	0.482	52%	0.521	S	S	.	.	H	α-helix	trans	-62.6	-43	177.2	-67.1	167.2	0	0	0	110.9	I597 G598 V603 V604 I605	I597-I601 HydrophobicContact CG2-CD1 3.86Å; I597-I601 WeakPolarHBondContact O-CD1 3.4Å; I597-I601 VanDerWaalsContact O-CG1 3.26Å; I597-I601 WeakPolarHBondContact O-CG1 3.47Å; I597-I601 PolarHBondContact O-N 3.11Å; I597-I601 VanDerWaalsContact O-N 3.09Å; G598-I601 PolarHBondContact O-N 3.16Å; I601-V603 PolarHBondContact O-N 3.06Å; I601-V604 PolarHBondContact O-N 3.3Å; I601-I605 HydrophobicContact CG2-CD1 3.76Å; I601-I605 HydrophobicContact CG2-CG1 4.43Å; I601-I605 VanDerWaalsContact O-CG1 3.32Å; I601-I605 WeakPolarHBondContact O-CG1 3.46Å; I601-I605 PolarHBondContact O-N 3.06Å
602	A	86.9	Confident	80.9	Confident	57 Å²	57	90 Å²	90	47%	0.471	51%	0.511	S	S	.	.	H	α-helix	trans	-62.6	-41.6	177.7	0	0	0	0	0	112.4	G598 G599 V600 I605 F606	G598-A602 WeakPolarHBondContact O-CB 2.95Å; G598-A602 PolarHBondContact O-N 2.8Å; G599-A602 PolarHBondContact O-N 2.85Å; V600-A602 VanDerWaalsContact C-N 3.35Å; V600-A602 PolarHBondContact O-N 3.43Å; A602-I605 PolarHBondContact O-N 2.81Å; A602-F606 VanDerWaalsContact O-CB 3.3Å; A602-F606 WeakPolarHBondContact O-CB 3.15Å; A602-F606 PolarHBondContact O-N 3.23Å
603	V	90.9	Very high	82.5	Confident	93 Å²	93	83.4 Å²	83.4	56%	0.564	50%	0.495	S	S	*	.	H	α-helix	trans	-65.7	-42.2	177	172.5	0	0	0	0	111.2	G599 V600 I601 F606 T607	G599-V603 WeakPolarHBondContact O-CG2 3.11Å; G599-V603 PolarHBondContact O-N 2.78Å; V600-V603 PolarHBondContact O-N 3.45Å; I601-V603 PolarHBondContact O-N 3.06Å; V603-F606 PolarHBondContact O-N 2.83Å; V603-T607 HydrophobicContact CG1-CG2 4.25Å; V603-T607 WeakPolarHBondContact O-CG2 3.31Å; V603-T607 PolarHBondContact O-N 2.88Å; V603-T607 PolarHBondContact O-OG1 3.45Å
604	V	92.6	Very high	84.1	Confident	73 Å²	73	86 Å²	86	44%	0.442	50%	0.502	S	S	.	.	H	α-helix	trans	-62.6	-47.7	177.4	172.5	0	0	0	0	110.7	V600 I601 F606 T607 I608	V600-V604 HydrophobicContact CG1-CG2 4.44Å; V600-V604 VanDerWaalsContact O-CG2 3.31Å; V600-V604 WeakPolarHBondContact O-CG2 3.39Å; V600-V604 PolarHBondContact O-N 3.38Å; I601-V604 PolarHBondContact O-N 3.3Å; V604-F606 VanDerWaalsContact C-N 3.32Å; V604-F606 PolarHBondContact O-N 2.82Å; V604-T607 PolarHBondContact O-N 2.94Å; V604-T607 PolarHBondContact O-OG1 2.84Å; V604-I608 HydrophobicContact CG1-CD1 3.89Å; V604-I608 WeakPolarHBondContact O-CG1 3.49Å; V604-I608 PolarHBondContact O-N 3.39Å
605	I	92.6	Very high	85.1	Confident	91 Å²	91	87.5 Å²	87.5	47%	0.467	50%	0.503	S	S	.	.	H	α-helix	trans	-60.6	-43.9	177.4	-67.5	169.5	0	0	0	110.8	I601 A602 T607 I608 L609	I601-I605 HydrophobicContact CG2-CD1 3.76Å; I601-I605 HydrophobicContact CG2-CG1 4.43Å; I601-I605 VanDerWaalsContact O-CG1 3.32Å; I601-I605 WeakPolarHBondContact O-CG1 3.46Å; I601-I605 PolarHBondContact O-N 3.06Å; A602-I605 PolarHBondContact O-N 2.81Å; I605-T607 PolarHBondContact O-N 3.14Å; I605-I608 PolarHBondContact O-N 2.81Å; I605-L609 HydrophobicContact CG2-CD1 4.07Å; I605-L609 WeakPolarHBondContact O-CG 3.2Å; I605-L609 PolarHBondContact O-N 2.93Å
606	F	93	Very high	86	Confident	142 Å²	142	87.7 Å²	87.7	62%	0.623	49%	0.493	S	S	*	.	H	α-helix	trans	-62.4	-42.3	178.5	-172	-100.1	0	0	0	111.9	A602 V603 V604 I608 L609 C610	A602-F606 VanDerWaalsContact O-CB 3.3Å; A602-F606 WeakPolarHBondContact O-CB 3.15Å; A602-F606 PolarHBondContact O-N 3.23Å; V603-F606 PolarHBondContact O-N 2.83Å; V604-F606 VanDerWaalsContact C-N 3.32Å; V604-F606 PolarHBondContact O-N 2.82Å; F606-I608 PolarHBondContact O-N 3.47Å; F606-L609 PolarHBondContact O-N 2.87Å; F606-C610 VanDerWaalsContact CE1-SG 3.58Å; F606-C610 PolarHBondContact O-N 2.83Å; F606-C610 PolarHBondContact O-SG 3.03Å; F606-C610 VanDerWaalsContact O-SG 3.38Å
607	T	89.9	Confident	86.6	Confident	68 Å²	68	91.7 Å²	91.7	42%	0.417	50%	0.501	S	S	.	.	H	α-helix	trans	-64.6	-39	177.3	63.5	0	0	0	0	112.3	V603 V604 I605 C610 T611	V603-T607 HydrophobicContact CG1-CG2 4.25Å; V603-T607 WeakPolarHBondContact O-CG2 3.31Å; V603-T607 PolarHBondContact O-N 2.88Å; V603-T607 PolarHBondContact O-OG1 3.45Å; V604-T607 PolarHBondContact O-N 2.94Å; V604-T607 PolarHBondContact O-OG1 2.84Å; I605-T607 PolarHBondContact O-N 3.14Å; T607-C610 PolarHBondContact O-N 3.3Å; T607-T611 WeakPolarHBondContact O-CG2 3.47Å; T607-T611 PolarHBondContact O-N 2.8Å; T607-T611 PolarHBondContact O-OG1 2.78Å
608	I	93.3	Very high	86.9	Confident	94 Å²	94	93.6 Å²	93.6	48%	0.482	50%	0.503	S	S	.	.	H	α-helix	trans	-64.7	-42.7	175.8	-67.4	167.7	0	0	0	110.7	V604 I605 F606 T611 L612	V604-I608 HydrophobicContact CG1-CD1 3.89Å; V604-I608 WeakPolarHBondContact O-CG1 3.49Å; V604-I608 PolarHBondContact O-N 3.39Å; I605-I608 PolarHBondContact O-N 2.81Å; F606-I608 PolarHBondContact O-N 3.47Å; I608-T611 PolarHBondContact O-N 2.86Å; I608-T611 PolarHBondContact O-OG1 2.97Å; I608-L612 WeakPolarHBondContact O-CB 3.08Å; I608-L612 PolarHBondContact O-N 2.71Å
609	L	93	Very high	86.6	Confident	101 Å²	101	97 Å²	97	53%	0.529	51%	0.509	S	S	.	.	H	α-helix	trans	-65.4	-40.7	177.1	-70.9	172.5	0	0	0	111.7	I605 F606 L612 V613	I605-L609 HydrophobicContact CG2-CD1 4.07Å; I605-L609 WeakPolarHBondContact O-CG 3.2Å; I605-L609 PolarHBondContact O-N 2.93Å; F606-L609 PolarHBondContact O-N 2.87Å; L609-L612 PolarHBondContact O-N 2.93Å; L609-V613 WeakPolarHBondContact O-CG2 3.29Å; L609-V613 PolarHBondContact O-N 2.75Å
610	C	91.4	Very high	86.1	Confident	53 Å²	53	103.3 Å²	103.3	36%	0.358	53%	0.528	S	S	.	.	H	α-helix	trans	-64.3	-42.1	176.3	-73.2	0	0	0	0	112.8	F606 T607 L612 V613 F614	F606-C610 VanDerWaalsContact CE1-SG 3.58Å; F606-C610 PolarHBondContact O-N 2.83Å; F606-C610 PolarHBondContact O-SG 3.03Å; F606-C610 VanDerWaalsContact O-SG 3.38Å; T607-C610 PolarHBondContact O-N 3.3Å; C610-L612 VanDerWaalsContact C-N 3.34Å; C610-V613 PolarHBondContact O-N 2.69Å; C610-F614 PolarHBondContact O-N 2.74Å
611	T	89.3	Confident	85	Confident	82 Å²	82	109.8 Å²	109.8	50%	0.503	54%	0.542	S	S	.	.	H	α-helix	trans	-67.3	-36.6	176.6	56.1	0	0	0	0	111.6	T607 I608 F614 L615	T607-T611 WeakPolarHBondContact O-CG2 3.47Å; T607-T611 PolarHBondContact O-N 2.8Å; T607-T611 PolarHBondContact O-OG1 2.78Å; I608-T611 PolarHBondContact O-N 2.86Å; I608-T611 PolarHBondContact O-OG1 2.97Å; T611-F614 PolarHBondContact O-N 2.75Å; T611-L615 WeakPolarHBondContact O-CB 3.45Å; T611-L615 WeakPolarHBondContact O-CG 3.25Å; T611-L615 PolarHBondContact O-N 2.92Å
612	L	90.2	Very high	83.7	Confident	95 Å²	95	111.7 Å²	111.7	50%	0.497	55%	0.549	S	S	.	.	H	α-helix	trans	-66.2	-41.5	176.9	-153.9	130.3	0	0	0	111.5	I608 L609 C610 F614 L615 I616	I608-L612 WeakPolarHBondContact O-CB 3.08Å; I608-L612 PolarHBondContact O-N 2.71Å; L609-L612 PolarHBondContact O-N 2.93Å; C610-L612 VanDerWaalsContact C-N 3.34Å; L612-F614 VanDerWaalsContact C-N 3.34Å; L612-F614 PolarHBondContact O-N 3.38Å; L612-L615 PolarHBondContact O-N 3.25Å; L612-I616 HydrophobicContact CD2-CD1 3.62Å; L612-I616 HydrophobicContact CD2-CG1 4.45Å; L612-I616 WeakPolarHBondContact O-CB 3.28Å; L612-I616 WeakPolarHBondContact O-CG1 3.39Å; L612-I616 PolarHBondContact O-N 2.88Å
613	V	89.4	Confident	81.9	Confident	78 Å²	78	116.5 Å²	116.5	47%	0.473	56%	0.559	S	S	.	*	H	α-helix	trans	-63.7	-39.7	172.9	171.8	0	0	0	0	111.6	L609 C610 R617	L609-V613 WeakPolarHBondContact O-CG2 3.29Å; L609-V613 PolarHBondContact O-N 2.75Å; C610-V613 PolarHBondContact O-N 2.69Å; V613-R617 WeakPolarHBondContact O-CB 3.45Å; V613-R617 PolarHBondContact O-N 2.89Å
614	F	87.8	Confident	80.2	Confident	164 Å²	164	115.2 Å²	115.2	72%	0.719	57%	0.565	S	S	*	*	H	α-helix	trans	-66.4	-42.1	175.4	-108.9	-84.2	0	0	0	112.4	C610 T611 L612 R617 Y618	C610-F614 PolarHBondContact O-N 2.74Å; T611-F614 PolarHBondContact O-N 2.75Å; L612-F614 VanDerWaalsContact C-N 3.34Å; L612-F614 PolarHBondContact O-N 3.38Å; F614-R617 PolarHBondContact O-N 2.82Å; F614-Y618 WeakPolarHBondContact O-CB 3.45Å; F614-Y618 PolarHBondContact O-N 3.25Å
615	L	81.7	Confident	77.9	Confident	105 Å²	105	118 Å²	118	55%	0.55	58%	0.583	S	S	.	*	H	α-helix	trans	-64.6	-41.8	175.8	-77.7	170.9	0	0	0	111.5	T611 L612 Y618 M619	T611-L615 WeakPolarHBondContact O-CB 3.45Å; T611-L615 WeakPolarHBondContact O-CG 3.25Å; T611-L615 PolarHBondContact O-N 2.92Å; L612-L615 PolarHBondContact O-N 3.25Å; L615-Y618 PolarHBondContact O-N 3.12Å; L615-M619 WeakPolarHBondContact O-CB 3.46Å; L615-M619 VanDerWaalsContact O-CG 3.31Å; L615-M619 WeakPolarHBondContact O-CG 3.41Å; L615-M619 PolarHBondContact O-N 3.14Å
616	I	82.5	Confident	75.6	Confident	79 Å²	79	124.3 Å²	124.3	41%	0.405	60%	0.602	S	S	.	*	H	α-helix	trans	-60.4	-49.5	174.1	-73.6	171.9	0	0	0	110	L612 Y618 M619 F620	L612-I616 HydrophobicContact CD2-CD1 3.62Å; L612-I616 HydrophobicContact CD2-CG1 4.45Å; L612-I616 WeakPolarHBondContact O-CB 3.28Å; L612-I616 WeakPolarHBondContact O-CG1 3.39Å; L612-I616 PolarHBondContact O-N 2.88Å; I616-Y618 VanDerWaalsContact C-N 3.32Å; I616-Y618 PolarHBondContact O-N 3.04Å; I616-M619 PolarHBondContact O-N 3.1Å; I616-F620 HydrophobicContact CG2-CD2 3.55Å; I616-F620 HydrophobicContact CG2-CE2 3.51Å; I616-F620 WeakPolarHBondContact O-CB 3.39Å; I616-F620 WeakPolarHBondContact O-CD2 3.43Å; I616-F620 PolarHBondContact O-N 3.13Å
617	R	79.6	Confident	73.1	Confident	190 Å²	190	126 Å²	126	72%	0.717	61%	0.611	S	S	*	*	H	α-helix	trans	-63.6	-36.2	176.3	-80.5	-170.1	168.8	171.9	-0.9	112.7	V613 F614 F620 R621	V613-R617 WeakPolarHBondContact O-CB 3.45Å; V613-R617 PolarHBondContact O-N 2.89Å; F614-R617 PolarHBondContact O-N 2.82Å; R617-F620 PolarHBondContact O-N 3.15Å; R617-R621 WeakPolarHBondContact O-CB 3.46Å; R617-R621 PolarHBondContact O-N 3.14Å
618	Y	77.3	Confident	71	Confident	145 Å²	145	127.8 Å²	127.8	57%	0.569	62%	0.622	S	S	*	*	H	α-helix	trans	-67.2	-45.6	176.7	-178	-96.7	0	0	0	111.4	F614 L615 I616 F620 R621 H622	F614-Y618 WeakPolarHBondContact O-CB 3.45Å; F614-Y618 PolarHBondContact O-N 3.25Å; L615-Y618 PolarHBondContact O-N 3.12Å; I616-Y618 VanDerWaalsContact C-N 3.32Å; I616-Y618 PolarHBondContact O-N 3.04Å; Y618-F620 VanDerWaalsContact C-N 3.32Å; Y618-F620 PolarHBondContact O-N 2.89Å; Y618-R621 PolarHBondContact O-N 2.82Å; Y618-H622 AromaticContact CE2-CD2 3.65Å; Y618-H622 AromaticContact CZ-CD2 3.89Å; Y618-H622 PolarHBondContact O-N 3.28Å
619	M	69.6	Low	68.5	Low	111 Å²	111	130.6 Å²	130.6	55%	0.547	64%	0.638	S	S	.	*	H	α-helix	trans	-61.8	-38.8	175.3	-76.4	-169	68.3	0	0	112.1	L615 I616 K623	L615-M619 WeakPolarHBondContact O-CB 3.46Å; L615-M619 VanDerWaalsContact O-CG 3.31Å; L615-M619 WeakPolarHBondContact O-CG 3.41Å; L615-M619 PolarHBondContact O-N 3.14Å; I616-M619 PolarHBondContact O-N 3.1Å; M619-K623 PolarHBondContact O-N 3.1Å
620	F	66.4	Low	66.1	Low	167 Å²	167	133.9 Å²	133.9	73%	0.732	65%	0.651	S	S	*	*	H	α-helix	trans	-77	-24.9	176.3	-74.6	-57.7	0	0	0	113.7	I616 R617 Y618	I616-F620 HydrophobicContact CG2-CD2 3.55Å; I616-F620 HydrophobicContact CG2-CE2 3.51Å; I616-F620 WeakPolarHBondContact O-CB 3.39Å; I616-F620 WeakPolarHBondContact O-CD2 3.43Å; I616-F620 PolarHBondContact O-N 3.13Å; R617-F620 PolarHBondContact O-N 3.15Å; Y618-F620 VanDerWaalsContact C-N 3.32Å; Y618-F620 PolarHBondContact O-N 2.89Å
621	R	61.6	Low	63.5	Low	223 Å²	223	136 Å²	136	84%	0.842	67%	0.673	S	S	*	*	H	α-helix	trans	-82.3	-21.8	176.8	-157.2	174.7	-175.8	134	1.1	113.1	R617 Y618	R617-R621 WeakPolarHBondContact O-CB 3.46Å; R617-R621 PolarHBondContact O-N 3.14Å; Y618-R621 PolarHBondContact O-N 2.82Å
622	H	59.1	Low	61.5	Low	134 Å²	134	142.5 Å²	142.5	62%	0.62	69%	0.694	S	S	*	*	H	α-helix	trans	-108.9	4.5	179	-87.6	-71.8	0	0	0	115.9	Y618	Y618-H622 AromaticContact CE2-CD2 3.65Å; Y618-H622 AromaticContact CZ-CD2 3.89Å; Y618-H622 PolarHBondContact O-N 3.28Å
623	K	48.3	Very low	59.5	Low	158 Å²	158	141.6 Å²	141.6	69%	0.687	71%	0.708	S	S	*	*			trans	-100.3	62.9	165.4	-79.4	-168.5	173.4	-175	0	111.8	M619	M619-K623 PolarHBondContact O-N 3.1Å
624	G	54.8	Low	57.2	Low	66 Å²	66	142.4 Å²	142.4	68%	0.68	72%	0.722	S	S	*	*			trans	-95.2	85.5	150.9	0	0	0	0	0	108.6
625	T	44.6	Very low	55.2	Low	133 Å²	133	143.9 Å²	143.9	82%	0.816	73%	0.732	S	S	*	*			trans	164.4	108.5	152.5	44.3	0	0	0	0	108.1
626	Y	45.8	Very low	53.7	Low	223 Å²	223	144.9 Å²	144.9	88%	0.875	75%	0.747	S	S	*	*			trans	-74.8	127	167.5	-68.8	-94	0	0	0	108.4
627	H	39.8	Very low	51.7	Low	177 Å²	177	144.6 Å²	144.6	82%	0.819	76%	0.756	S	S	*	*			trans	-100.4	100.7	160.3	-144.7	74.5	0	0	0	105.6	N629	H627-N629 PolarHBondContact O-N 2.81Å
628	T	46.3	Very low	50.3	Low	105 Å²	105	145.3 Å²	145.3	64%	0.644	77%	0.768	S	S	*	*			trans	-77.2	112.4	172.3	41.3	0	0	0	0	107.9	E630	T628-E630 VanDerWaalsContact C-N 3.25Å; T628-E630 PolarHBondContact O-N 2.95Å
629	N	39.9	Very low	49.3	Very low	153 Å²	153	141.7 Å²	141.7	82%	0.818	76%	0.764	S	S	*	*			trans	-75.4	87.2	162.2	-77.5	-27.2	0	0	0	107.4	H627	H627-N629 PolarHBondContact O-N 2.81Å
630	E	42.8	Very low	48.2	Very low	170 Å²	170	140 Å²	140	79%	0.794	77%	0.768	S	S	*	*			trans	-67.9	135.9	164.7	-76.1	-176.1	162.6	0	0	109.7	T628 K632	T628-E630 VanDerWaalsContact C-N 3.25Å; T628-E630 PolarHBondContact O-N 2.95Å; E630-K632 PolarHBondContact O-N 3.48Å
631	A	37.4	Very low	47.5	Very low	99 Å²	99	138 Å²	138	82%	0.818	77%	0.765	S	S	*	*			trans	-66.5	118.6	170.5	0	0	0	0	0	108.9	G633	A631-G633 PolarHBondContact O-N 3.41Å; A631-G633 VanDerWaalsContact O-N 3.15Å
632	K	45.8	Very low	47.1	Very low	217 Å²	217	130 Å²	130	94%	0.943	75%	0.746	S	S	*	*	S	Bend	trans	-59.9	112.3	168.3	-89.8	178.5	171.5	176.4	0	109.5	E630	E630-K632 PolarHBondContact O-N 3.48Å
633	G	49.7	Very low	46.9	Very low	77 Å²	77	127.2 Å²	127.2	79%	0.794	75%	0.746	S	S	*	*			trans	150	51.1	167.6	0	0	0	0	0	114.6	A631	A631-G633 PolarHBondContact O-N 3.41Å; A631-G633 VanDerWaalsContact O-N 3.15Å
634	A	41.3	Very low	46.9	Very low	94 Å²	94	126.2 Å²	126.2	78%	0.777	75%	0.747	S	S	*	*			trans	-153.5	22.3	167.2	0	0	0	0	0	114.2	S636	A634-S636 PolarHBondContact O-N 2.86Å
635	E	45.5	Very low	46.4	Very low	196 Å²	196	131 Å²	131	92%	0.916	75%	0.753	S	S	*	*	S	Bend	trans	-95.6	65	169.5	-71.1	-168.1	170	0	0	110.2
636	S	49.2	Very low	46.2	Very low	125 Å²	125	131.3 Å²	131.3	87%	0.874	75%	0.75	S	S	*	*	S	Bend	trans	177.2	54	163.7	25.8	0	0	0	0	112.3	A634	A634-S636 PolarHBondContact O-N 2.86Å
637	A	40.9	Very low	46	Very low	73 Å²	73	127.8 Å²	127.8	60%	0.603	75%	0.747	S	S	*	*			trans	-143	120.6	165.5	0	0	0	0	0	109.7	S639	A637-S639 PolarHBondContact O-N 3.22Å
638	E	49.5	Very low	45.8	Very low	205 Å²	205	126.8 Å²	126.8	96%	0.958	75%	0.747	S	S	*	*			trans	-91	9	-164.3	-136.1	177.9	-175.5	0	0	114.2
639	S	56.2	Low	45.8	Very low	69 Å²	69	126.9 Å²	126.9	48%	0.483	75%	0.75	S	S	.	*	S	Bend	trans	-166.6	159.3	167.5	70.9	0	0	0	0	113.1	A637 D641 A642	A637-S639 PolarHBondContact O-N 3.22Å; S639-D641 PolarHBondContact O-N 3.32Å; S639-A642 PolarHBondContact O-N 3.47Å
640	A	47.6	Very low	45.3	Very low	76 Å²	76	126.9 Å²	126.9	63%	0.628	75%	0.75	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.5	-18.7	-178.3	0	0	0	0	0	114.1
641	D	52.3	Low	44.6	Very low	126 Å²	126	127.1 Å²	127.1	67%	0.674	75%	0.748	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.6	-12.5	-177.9	-62	-32.7	0	0	0	113.1	S639	S639-D641 PolarHBondContact O-N 3.32Å
642	A	53.2	Low	44.3	Very low	53 Å²	53	126.6 Å²	126.6	44%	0.438	74%	0.735	S	S	.	*	S	Bend	trans	-89.1	-18.1	177.1	0	0	0	0	0	113.9	S639	S639-A642 PolarHBondContact O-N 3.47Å
643	A	53	Low	43.7	Very low	76 Å²	76	124.2 Å²	124.2	63%	0.628	73%	0.728	S	S	*	*	S	Bend	trans	-82.4	-14.4	179.1	0	0	0	0	0	113.5
644	I	50.1	Low	43	Very low	137 Å²	137	127.3 Å²	127.3	70%	0.703	73%	0.731	S	S	*	*	S	Bend	trans	-92.6	-18.9	-173.5	-59.7	175.9	0	0	0	112.2	N646	I644-N646 PolarHBondContact O-N 3.44Å
645	M	42.8	Very low	42.8	Very low	166 Å²	166	130.4 Å²	130.4	82%	0.818	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.3	-3.7	-178.5	-72.9	-154.6	-131.1	0	0	115.7
646	N	40.8	Very low	42.1	Very low	141 Å²	141	127.8 Å²	127.8	75%	0.754	73%	0.725	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103	8.9	-171.8	-95.2	-4.4	0	0	0	116	I644	I644-N646 PolarHBondContact O-N 3.44Å
647	N	41.7	Very low	41.3	Very low	149 Å²	149	130 Å²	130	80%	0.797	72%	0.722	S	S	*	*			trans	-137.5	77.3	178.3	-86.1	-24.5	0	0	0	112.4
648	D	34.8	Very low	41	Very low	156 Å²	156	131.1 Å²	131.1	83%	0.834	73%	0.725	S	S	*	*			trans	165.3	164	132.5	-105.4	-23.9	0	0	0	110.6
649	P	46.8	Very low	40.2	Very low	107 Å²	107	131.7 Å²	131.7	70%	0.695	72%	0.724	S	S	*	*			cis	-135.4	-179.9	-28.5	32.4	-12.8	0	0	0	112.5
650	N	29.3	Very low	39.2	Very low	152 Å²	152	137.6 Å²	137.6	81%	0.813	74%	0.741	S	S	*	*			trans	100.6	138.8	144.7	-135.1	7.6	0	0	0	120.9
651	F	28.8	Very low	38.7	Very low	175 Å²	175	142.4 Å²	142.4	77%	0.768	75%	0.751	S	S	*	*			trans	113.3	84.6	156.9	-124.4	-106.6	0	0	0	120.2
652	T	31.2	Very low	37.8	Very low	88 Å²	88	148 Å²	148	54%	0.54	76%	0.763	S	S	.	*				50.6	135.4	126	59.9	0	0	0	0	124.8
653	E	33.5	Very low	36.9	Very low	168 Å²	168	153 Å²	153	79%	0.785	78%	0.781	S	S	*	*			trans	67.9	121.7	135.5	-72.5	-172.4	171.8	0	0	121.2
654	T	35.1	Very low	36.1	Very low	142 Å²	142	160.6 Å²	160.6	87%	0.871	81%	0.809	S	S	*	*				-173.8	152.8	97.9	26.6	0	0	0	0	112.4
655	I	36.5	Very low	35.4	Very low	159 Å²	159	161.8 Å²	161.8	82%	0.815	81%	0.814	S	S	*	*			trans	-103.7	157.3	-169.9	-63.8	167.3	0	0	0	109.8
656	D	30.1	Very low	35	Very low	141 Å²	141	161.5 Å²	161.5	75%	0.754	81%	0.814	S	S	*	*			trans	98	120.8	151.4	-130.1	-5.9	0	0	0	118.9
657	E	34.1	Very low	34.7	Very low	172 Å²	172	162.7 Å²	162.7	80%	0.804	82%	0.817	S	S	*	*				179	124.3	112.1	-99.6	-170.9	166.7	0	0	113.3
658	S	33.2	Very low	34.3	Very low	95 Å²	95	163.5 Å²	163.5	66%	0.664	82%	0.818	S	S	*	*			trans	41.5	115.8	135.5	79.1	0	0	0	0	121.5
659	K	33	Very low	34.3	Very low	218 Å²	218	163.9 Å²	163.9	95%	0.948	82%	0.817	S	S	*	*			trans	-97.6	111.8	157	-113.6	-179.7	180	178.5	0	109.3
660	K	35.3	Very low	33.4	Very low	193 Å²	193	167.7 Å²	167.7	84%	0.839	83%	0.825	S	S	*	*			trans	-94.7	148.8	165.3	-102.5	-178.3	179.7	174.4	0	111.4
661	E	38	Very low	33.7	Very low	176 Å²	176	168.9 Å²	168.9	82%	0.822	83%	0.826	S	S	*	*			trans	-61.1	161.8	-175	-55.1	171.5	165.3	0	0	116.1
662	W	32.4	Very low	34.1	Very low	244 Å²	244	168.4 Å²	168.4	92%	0.924	83%	0.831	S	S	*	*			trans	-141.2	117.7	138.3	-9.7	-77.2	0	0	0	111.8
663	L	34.6	Very low	34.4	Very low	159 Å²	159	175.1 Å²	175.1	83%	0.832	86%	0.855	S	S	*	*			trans	13.1	142	138.6	-65.7	143.9	0	0	0	119
664	I	36.6	Very low	34.4	Very low	234 Å²	234	175.7 Å²	175.7	100%	1.2	86%	0.861	S	S	*	*				-130.5	0	51.4	-65.1	166.5	0	0	0	112.9

Retrieved 664 of 664 residues in 543.4 ms (Link to these results)

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