A0A077ZR54_TRITR Loading...

Peptidase C69 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZR54, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 219 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	63.7	Low	88.3	Confident	123 Å²	123	88.1 Å²	88.1	61%	0.606	44%	0.441	S	S	*	.				0	-81.9	0	-164.4	-165	-72.4	0	0	112.3	E4 R5 L19	M1-E4 PolarHBondContact N-OE2 3.4Å; M1-R5 WeakPolarHBondContact O-CB 3.29Å; M1-R5 VanDerWaalsContact O-CD 3.24Å; M1-R5 WeakPolarHBondContact O-CD 3.2Å; M1-R5 VanDerWaalsContact O-CG 3.29Å; M1-R5 WeakPolarHBondContact O-CG 3.47Å; M1-L19 HydrophobicContact CG-CD1 3.46Å; M1-L19 VanDerWaalsContact CG-CD1 3.46Å; M1-L19 HydrophobicContact SD-CB 4.34Å; M1-L19 HydrophobicContact SD-CD1 3.5Å; M1-L19 WeakPolarHBondContact SD-CD1 3.47Å
2	G	79.3	Confident	89.1	Confident	7 Å²	7	81.8 Å²	81.8	7%	0.072	41%	0.411	C	S	.	.			trans	-69.5	-57.8	179.9	0	0	0	0	0	112.5	E4 R5 S6	G2-E4 PolarHBondContact O-N 3.05Å; G2-E4 VanDerWaalsContact O-N 3.07Å; G2-R5 PolarHBondContact O-N 2.75Å; G2-S6 PolarHBondContact O-N 3.35Å; G2-S6 PolarHBondContact O-OG 2.84Å
3	L	82	Confident	89.7	Confident	159 Å²	159	75.5 Å²	75.5	83%	0.832	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-34.4	-175	-171.5	64	0	0	0	114.9
4	E	85	Confident	90.3	Very high	165 Å²	165	74.4 Å²	74.4	77%	0.771	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-13.3	-178.5	-62.1	156.4	146.7	0	0	113.2	M1 G2	M1-E4 PolarHBondContact N-OE2 3.4Å; G2-E4 PolarHBondContact O-N 3.05Å; G2-E4 VanDerWaalsContact O-N 3.07Å
5	R	88	Confident	90.7	Very high	154 Å²	154	71.4 Å²	71.4	58%	0.581	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.9	-8	-171.5	-64.3	175.5	60.5	168.2	-5	113.2	M1 G2 I15	M1-R5 WeakPolarHBondContact O-CB 3.29Å; M1-R5 VanDerWaalsContact O-CD 3.24Å; M1-R5 WeakPolarHBondContact O-CD 3.2Å; M1-R5 VanDerWaalsContact O-CG 3.29Å; M1-R5 WeakPolarHBondContact O-CG 3.47Å; G2-R5 PolarHBondContact O-N 2.75Å; R5-I15 HydrophobicContact CB-CD1 3.97Å; R5-I15 HydrophobicContact CB-CG2 4.26Å; R5-I15 WeakPolarHBondContact O-CD1 3.49Å
6	S	93	Very high	91	Very high	23 Å²	23	67.9 Å²	67.9	16%	0.161	34%	0.339	C	S	.	.			trans	-123.1	146.3	-177.5	64	0	0	0	0	111.7	G2 C12	G2-S6 PolarHBondContact O-N 3.35Å; G2-S6 PolarHBondContact O-OG 2.84Å; S6-C12 VanDerWaalsContact OG-CB 3.31Å; S6-C12 WeakPolarHBondContact OG-CB 3.38Å
7	T	91.1	Very high	91.3	Very high	133 Å²	133	63.9 Å²	63.9	82%	0.816	32%	0.319	S	S	*	.	S	Bend	trans	-105.2	-12.3	170.4	54.6	0	0	0	0	112.8
8	T	96.6	Very high	91.5	Very high	47 Å²	47	65.8 Å²	65.8	29%	0.288	33%	0.327	S	S	.	.	S	Bend	trans	-130.1	157	178.3	71.5	0	0	0	0	111.2	Y10 D11 C12 D45	T8-Y10 VanDerWaalsContact C-N 3.27Å; T8-Y10 PolarHBondContact O-N 2.89Å; T8-D11 PolarHBondContact O-N 3.36Å; T8-D11 WeakPolarHBondContact OG1-CB 3.18Å; T8-D11 PolarHBondContact OG1-N 3.43Å; T8-D11 PolarHBondContact OG1-OD2 3.18Å; T8-C12 WeakPolarHBondContact O-CB 3.48Å; T8-C12 PolarHBondContact O-N 3.38Å; T8-D45 WeakPolarHBondContact CA-OD2 3.5Å
9	A	97.2	Very high	91.6	Very high	3 Å²	3	63.8 Å²	63.8	3%	0.025	32%	0.317	C	S	.	.	H	α-helix	trans	-61	-39.3	174.7	0	0	0	0	0	111.4	C12 V13 I43 D45 E48	A9-C12 WeakPolarHBondContact O-CB 3.38Å; A9-C12 PolarHBondContact O-N 3.31Å; A9-V13 WeakPolarHBondContact O-CG2 3.47Å; A9-V13 PolarHBondContact O-N 3.39Å; A9-I43 HydrophobicContact CB-CG2 3.89Å; A9-D45 HydrophobicContact CB-CB 4.13Å; A9-D45 PolarHBondContact N-OD2 3.38Å; A9-E48 HydrophobicContact CB-CG 4.37Å
10	Y	97.8	Very high	91.7	Very high	95 Å²	95	61.6 Å²	61.6	37%	0.373	31%	0.306	S	S	.	.	H	α-helix	trans	-57.4	-50.8	174.1	178.2	-91.8	0	0	0	112.7	T8 C12 V13 K14 W50 L82	T8-Y10 VanDerWaalsContact C-N 3.27Å; T8-Y10 PolarHBondContact O-N 2.89Å; Y10-C12 VanDerWaalsContact C-N 3.27Å; Y10-C12 PolarHBondContact O-N 3.21Å; Y10-V13 WeakPolarHBondContact O-CB 3.45Å; Y10-V13 PolarHBondContact O-N 3.23Å; Y10-K14 HydrophobicContact CD1-CG 4.41Å; Y10-K14 HydrophobicContact CE1-CG 3.95Å; Y10-K14 PolarHBondContact O-N 3.32Å; Y10-W50 AromaticContact CD2-CZ2 3.97Å; Y10-W50 HydrophobicContact CD2-CZ2 3.97Å; Y10-L82 HydrophobicContact CD2-CD1 3.94Å; Y10-L82 HydrophobicContact CE2-CD1 3.7Å; Y10-L82 HydrophobicContact CE2-CD2 3.93Å; Y10-L82 HydrophobicContact CE2-CG 4.4Å
11	D	97.4	Very high	91.7	Very high	60 Å²	60	61.6 Å²	61.6	32%	0.321	31%	0.305	S	S	.	.	H	α-helix	trans	-64.3	-37.1	179.8	-63.3	-36.5	0	0	0	111	T8 K14 I15	T8-D11 PolarHBondContact O-N 3.36Å; T8-D11 WeakPolarHBondContact OG1-CB 3.18Å; T8-D11 PolarHBondContact OG1-N 3.43Å; T8-D11 PolarHBondContact OG1-OD2 3.18Å; D11-K14 PolarHBondContact O-N 3.23Å; D11-I15 WeakPolarHBondContact O-CB 3.15Å; D11-I15 WeakPolarHBondContact O-CD1 3.36Å; D11-I15 WeakPolarHBondContact O-CG1 3.29Å; D11-I15 PolarHBondContact O-N 3.15Å
12	C	97.7	Very high	93	Very high	13 Å²	13	62.7 Å²	62.7	9%	0.088	31%	0.307	C	S	.	.	H	α-helix	trans	-60.9	-46.3	176	-171.6	0	0	0	0	111.6	S6 T8 A9 Y10 K14 I15 I16 I43	S6-C12 VanDerWaalsContact OG-CB 3.31Å; S6-C12 WeakPolarHBondContact OG-CB 3.38Å; T8-C12 WeakPolarHBondContact O-CB 3.48Å; T8-C12 PolarHBondContact O-N 3.38Å; A9-C12 WeakPolarHBondContact O-CB 3.38Å; A9-C12 PolarHBondContact O-N 3.31Å; Y10-C12 VanDerWaalsContact C-N 3.27Å; Y10-C12 PolarHBondContact O-N 3.21Å; C12-K14 VanDerWaalsContact C-N 3.34Å; C12-K14 PolarHBondContact O-N 3.43Å; C12-I15 PolarHBondContact O-N 2.86Å; C12-I16 WeakPolarHBondContact O-CB 3.31Å; C12-I16 WeakPolarHBondContact O-CG1 3.27Å; C12-I16 PolarHBondContact O-N 3.44Å; C12-I43 HydrophobicContact CB-CG2 3.7Å
13	V	97.9	Very high	93.6	Very high	0 Å²	0	69.9 Å²	69.9	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-56.2	-49.2	174.5	168.5	0	0	0	0	110.5	A9 Y10 G17 I43 W50 L52 W59 A61 L82	A9-V13 WeakPolarHBondContact O-CG2 3.47Å; A9-V13 PolarHBondContact O-N 3.39Å; Y10-V13 WeakPolarHBondContact O-CB 3.45Å; Y10-V13 PolarHBondContact O-N 3.23Å; V13-G17 PolarHBondContact O-N 3.11Å; V13-I43 HydrophobicContact CG2-CB 4.41Å; V13-I43 HydrophobicContact CG2-CD1 3.72Å; V13-W50 HydrophobicContact CG2-CB 3.74Å; V13-W50 HydrophobicContact CG2-CD2 4.38Å; V13-W50 HydrophobicContact CG2-CG 3.94Å; V13-L52 HydrophobicContact CG1-CD1 4.38Å; V13-W59 HydrophobicContact CG1-CZ3 3.95Å; V13-A61 HydrophobicContact CG1-CB 3.48Å; V13-A61 VanDerWaalsContact CG1-CB 3.48Å; V13-L82 HydrophobicContact CG1-CD1 3.88Å
14	K	97.3	Very high	94	Very high	59 Å²	59	63.2 Å²	63.2	26%	0.257	30%	0.303	S	S	.	.	H	α-helix	trans	-62.5	-46.5	-179.4	-74.3	-68.6	-65.4	153.3	0	112.4	Y10 D11 C12 G17 E18 W59	Y10-K14 HydrophobicContact CD1-CG 4.41Å; Y10-K14 HydrophobicContact CE1-CG 3.95Å; Y10-K14 PolarHBondContact O-N 3.32Å; D11-K14 PolarHBondContact O-N 3.23Å; C12-K14 VanDerWaalsContact C-N 3.34Å; C12-K14 PolarHBondContact O-N 3.43Å; K14-G17 PolarHBondContact O-N 3.46Å; K14-E18 WeakPolarHBondContact CE-OE1 3.1Å; K14-E18 IonicContact NZ-OE1 3.12Å; K14-E18 PolarHBondContact NZ-OE1 3.37Å; K14-E18 VanDerWaalsContact NZ-OE1 3.12Å; K14-E18 WeakPolarHBondContact O-CB 3.39Å; K14-E18 VanDerWaalsContact O-CG 3.27Å; K14-E18 WeakPolarHBondContact O-CG 3.12Å; K14-E18 PolarHBondContact O-N 2.72Å; K14-W59 HydrophobicContact CD-CH2 4.27Å
15	I	96.8	Very high	94.1	Very high	30 Å²	30	57 Å²	57	15%	0.154	27%	0.274	C	S	.	.	H	α-helix	trans	-64.4	-46.3	-179.5	-70.8	164	0	0	0	111.2	R5 D11 C12 L19	R5-I15 HydrophobicContact CB-CD1 3.97Å; R5-I15 HydrophobicContact CB-CG2 4.26Å; R5-I15 WeakPolarHBondContact O-CD1 3.49Å; D11-I15 WeakPolarHBondContact O-CB 3.15Å; D11-I15 WeakPolarHBondContact O-CD1 3.36Å; D11-I15 WeakPolarHBondContact O-CG1 3.29Å; D11-I15 PolarHBondContact O-N 3.15Å; C12-I15 PolarHBondContact O-N 2.86Å; I15-L19 HydrophobicContact CG2-CD1 3.95Å; I15-L19 WeakPolarHBondContact O-CB 3.47Å; I15-L19 WeakPolarHBondContact O-CD1 3.08Å; I15-L19 VanDerWaalsContact O-CG 3.22Å; I15-L19 WeakPolarHBondContact O-CG 3.35Å; I15-L19 PolarHBondContact O-N 3.06Å; I15-L19 VanDerWaalsContact O-N 3.11Å
16	I	95.7	Very high	93.6	Very high	16 Å²	16	53.2 Å²	53.2	8%	0.082	28%	0.283	C	S	.	.	H	α-helix	trans	-62.8	-49	177.4	-67	170.6	0	0	0	109.2	C12 E18 L19 L20 F41 I43 L52	C12-I16 WeakPolarHBondContact O-CB 3.31Å; C12-I16 WeakPolarHBondContact O-CG1 3.27Å; C12-I16 PolarHBondContact O-N 3.44Å; I16-E18 PolarHBondContact O-N 3.21Å; I16-L19 PolarHBondContact O-N 3.16Å; I16-L20 HydrophobicContact CG2-CD1 3.78Å; I16-L20 HydrophobicContact CG2-CG 4.18Å; I16-L20 VanDerWaalsContact O-CG 3.26Å; I16-L20 WeakPolarHBondContact O-CG 3.48Å; I16-L20 PolarHBondContact O-N 2.89Å; I16-F41 HydrophobicContact CG2-CE2 4.36Å; I16-I43 HydrophobicContact CD1-CD1 3.89Å; I16-L52 HydrophobicContact CB-CD2 3.83Å; I16-L52 HydrophobicContact CG2-CD2 3.54Å
17	G	95.8	Very high	93	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-55.3	-47.5	178.7	0	0	0	0	0	113.6	V13 K14 L19 L20 E21 W59	V13-G17 PolarHBondContact O-N 3.11Å; K14-G17 PolarHBondContact O-N 3.46Å; G17-L19 VanDerWaalsContact C-N 3.35Å; G17-L19 PolarHBondContact O-N 3.42Å; G17-L20 PolarHBondContact O-N 3.34Å; G17-E21 WeakPolarHBondContact O-CG 3.49Å; G17-E21 PolarHBondContact O-N 3.37Å; G17-W59 VanDerWaalsContact CA-CD1 3.46Å; G17-W59 VanDerWaalsContact CA-CE2 3.42Å; G17-W59 PolarHBondContact O-NE1 3.08Å; G17-W59 VanDerWaalsContact O-NE1 3.14Å
18	E	94.5	Very high	92.4	Very high	98 Å²	98	53.1 Å²	53.1	46%	0.458	29%	0.292	S	S	.	.	H	α-helix	trans	-66.5	-34.3	179.5	-73.8	167.6	-167.7	0	0	113	K14 I16 K22	K14-E18 WeakPolarHBondContact CE-OE1 3.1Å; K14-E18 IonicContact NZ-OE1 3.12Å; K14-E18 PolarHBondContact NZ-OE1 3.37Å; K14-E18 VanDerWaalsContact NZ-OE1 3.12Å; K14-E18 WeakPolarHBondContact O-CB 3.39Å; K14-E18 VanDerWaalsContact O-CG 3.27Å; K14-E18 WeakPolarHBondContact O-CG 3.12Å; K14-E18 PolarHBondContact O-N 2.72Å; I16-E18 PolarHBondContact O-N 3.21Å; E18-K22 WeakPolarHBondContact O-CB 3.49Å; E18-K22 PolarHBondContact O-N 2.71Å; E18-K22 VanDerWaalsContact O-N 3.15Å
19	L	94	Very high	91.5	Very high	28 Å²	28	54.3 Å²	54.3	15%	0.147	30%	0.302	C	S	.	.	H	α-helix	trans	-69.4	-39.8	174	-69.9	170	0	0	0	111.4	M1 I15 I16 G17 K22 Y23	M1-L19 HydrophobicContact CG-CD1 3.46Å; M1-L19 VanDerWaalsContact CG-CD1 3.46Å; M1-L19 HydrophobicContact SD-CB 4.34Å; M1-L19 HydrophobicContact SD-CD1 3.5Å; M1-L19 WeakPolarHBondContact SD-CD1 3.47Å; I15-L19 HydrophobicContact CG2-CD1 3.95Å; I15-L19 WeakPolarHBondContact O-CB 3.47Å; I15-L19 WeakPolarHBondContact O-CD1 3.08Å; I15-L19 VanDerWaalsContact O-CG 3.22Å; I15-L19 WeakPolarHBondContact O-CG 3.35Å; I15-L19 PolarHBondContact O-N 3.06Å; I15-L19 VanDerWaalsContact O-N 3.11Å; I16-L19 PolarHBondContact O-N 3.16Å; G17-L19 VanDerWaalsContact C-N 3.35Å; G17-L19 PolarHBondContact O-N 3.42Å; L19-K22 PolarHBondContact O-N 3.32Å; L19-Y23 HydrophobicContact CD2-CD2 4.09Å; L19-Y23 HydrophobicContact CD2-CE2 3.77Å; L19-Y23 WeakPolarHBondContact O-CB 3.22Å; L19-Y23 WeakPolarHBondContact O-CD2 3.49Å; L19-Y23 PolarHBondContact O-N 3.31Å
20	L	92.7	Very high	90.6	Very high	18 Å²	18	56.1 Å²	56.1	9%	0.094	31%	0.314	C	S	.	.	H	α-helix	trans	-66.1	-42	175.6	-69.6	178.1	0	0	0	112.1	I16 G17 K22 G24 Q25 T54	I16-L20 HydrophobicContact CG2-CD1 3.78Å; I16-L20 HydrophobicContact CG2-CG 4.18Å; I16-L20 VanDerWaalsContact O-CG 3.26Å; I16-L20 WeakPolarHBondContact O-CG 3.48Å; I16-L20 PolarHBondContact O-N 2.89Å; G17-L20 PolarHBondContact O-N 3.34Å; L20-K22 VanDerWaalsContact C-N 3.25Å; L20-K22 PolarHBondContact O-N 3.46Å; L20-G24 WeakPolarHBondContact O-CA 3.26Å; L20-G24 PolarHBondContact O-N 3.12Å; L20-Q25 HydrophobicContact CD2-CG 3.43Å; L20-Q25 VanDerWaalsContact CD2-CG 3.43Å; L20-T54 HydrophobicContact CD1-CG2 3.37Å
21	E	91.6	Very high	89.8	Confident	62 Å²	62	61 Å²	61	29%	0.29	34%	0.34	S	S	.	.	H	α-helix	trans	-58.8	-39.3	173.4	-78.9	179.2	-141.8	0	0	112	G17 W59 S84	G17-E21 WeakPolarHBondContact O-CG 3.49Å; G17-E21 PolarHBondContact O-N 3.37Å; E21-W59 PolarHBondContact OE1-NE1 2.87Å; E21-S84 WeakPolarHBondContact OE1-CA 3.24Å; E21-S84 WeakPolarHBondContact OE1-CB 3.5Å
22	K	92.7	Very high	89.1	Confident	147 Å²	147	65.5 Å²	65.5	64%	0.639	37%	0.365	S	S	*	.	H	α-helix	trans	-80.9	-40.4	-174.9	-174.6	174.2	179.6	-168.6	0	113.6	E18 L19 L20	E18-K22 WeakPolarHBondContact O-CB 3.49Å; E18-K22 PolarHBondContact O-N 2.71Å; E18-K22 VanDerWaalsContact O-N 3.15Å; L19-K22 PolarHBondContact O-N 3.32Å; L20-K22 VanDerWaalsContact C-N 3.25Å; L20-K22 PolarHBondContact O-N 3.46Å
23	Y	91.8	Very high	88	Confident	157 Å²	157	68.7 Å²	68.7	62%	0.616	38%	0.384	S	S	*	.	H	α-helix	trans	-115.7	-6.3	-169.2	-57.9	-64.9	0	0	0	113.7	L19	L19-Y23 HydrophobicContact CD2-CD2 4.09Å; L19-Y23 HydrophobicContact CD2-CE2 3.77Å; L19-Y23 WeakPolarHBondContact O-CB 3.22Å; L19-Y23 WeakPolarHBondContact O-CD2 3.49Å; L19-Y23 PolarHBondContact O-N 3.31Å
24	G	89.6	Confident	87	Confident	20 Å²	20	78.5 Å²	78.5	21%	0.206	43%	0.43	C	S	.	.			trans	72.1	-166.7	-173.5	0	0	0	0	0	112.7	L20	L20-G24 WeakPolarHBondContact O-CA 3.26Å; L20-G24 PolarHBondContact O-N 3.12Å
25	Q	87.6	Confident	86	Confident	34 Å²	34	79.1 Å²	79.1	16%	0.159	43%	0.434	C	S	.	.			trans	-105.9	162.6	173.8	-75.9	-172.7	85.4	0	0	112.2	L20 H38 T54 D56	L20-Q25 HydrophobicContact CD2-CG 3.43Å; L20-Q25 VanDerWaalsContact CD2-CG 3.43Å; Q25-H38 PolarHBondContact NE2-CD2 3.03Å; Q25-T54 PolarHBondContact NE2-OG1 3.12Å; Q25-T54 PolarHBondContact OE1-OG1 3.22Å; Q25-D56 PolarHBondContact NE2-O 3.48Å
26	G	77.8	Confident	84.9	Confident	74 Å²	74	82.1 Å²	82.1	76%	0.763	46%	0.458	S	S	*	.			trans	-63.3	170.9	177.7	0	0	0	0	0	113.6
27	G	79.4	Confident	84.1	Confident	47 Å²	47	86.8 Å²	86.8	49%	0.485	48%	0.475	S	S	.	.			trans	-94.1	-144.9	-176.7	0	0	0	0	0	114.1	C29	G27-C29 PolarHBondContact O-N 3.41Å
28	P	78.1	Confident	83.6	Confident	107 Å²	107	90.9 Å²	90.9	70%	0.695	49%	0.494	S	S	*	.			trans	-52	134.4	-180	-25	33.4	0	0	0	112.7	S30	P28-S30 VanDerWaalsContact C-N 3.3Å
29	C	77.4	Confident	83.3	Confident	72 Å²	72	88.8 Å²	88.8	49%	0.486	49%	0.486	S	S	.	.	S	Bend	trans	-88.5	1	176.4	-57.4	0	0	0	0	112.7	G27 M35 Y37	G27-C29 PolarHBondContact O-N 3.41Å; C29-M35 HydrophobicContact CB-CG 4.46Å; C29-M35 WeakPolarHBondContact CB-O 3.38Å; C29-M35 PolarHBondContact N-O 3.06Å; C29-Y37 HydrophobicContact CB-CE1 4.32Å; C29-Y37 VanDerWaalsContact SG-CE1 3.51Å
30	S	79.5	Confident	83.3	Confident	42 Å²	42	88.9 Å²	88.9	29%	0.294	49%	0.489	S	S	.	.			trans	-148.3	145.9	178.5	177.6	0	0	0	0	108.7	P28 D32 V33	P28-S30 VanDerWaalsContact C-N 3.3Å; S30-D32 PolarHBondContact OG-N 3.17Å; S30-V33 PolarHBondContact OG-N 3.26Å; S30-V33 VanDerWaalsContact OG-N 3.14Å
31	E	80.2	Confident	83.5	Confident	196 Å²	196	91.2 Å²	91.2	92%	0.916	50%	0.498	S	S	*	.	S	Bend	trans	-78.9	-26.4	172.1	-62.8	-177.2	174.1	0	0	111.7
32	D	82.8	Confident	83.7	Confident	156 Å²	156	93.3 Å²	93.3	83%	0.834	51%	0.511	S	S	*	.	S	Bend	trans	-102.4	-19.9	-172.8	-60.3	-52.2	0	0	0	113.7	S30	S30-D32 PolarHBondContact OG-N 3.17Å
33	V	75.9	Confident	83.9	Confident	80 Å²	80	87.1 Å²	87.1	49%	0.485	49%	0.485	S	S	.	.	S	Bend	trans	-124.7	134	-174.1	-173	0	0	0	0	110	S30 M35	S30-V33 PolarHBondContact OG-N 3.26Å; S30-V33 VanDerWaalsContact OG-N 3.14Å; V33-M35 HydrophobicContact CG1-CB 4.25Å; V33-M35 PolarHBondContact O-N 3.22Å
34	E	76.2	Confident	84.1	Confident	206 Å²	206	82.3 Å²	82.3	96%	0.963	48%	0.478	S	S	*	.			trans	-67.4	75.9	168.7	-69.8	-173.7	176.2	0	0	110.4
35	M	75.5	Confident	84.4	Confident	72 Å²	72	83.1 Å²	83.1	36%	0.355	48%	0.477	S	S	.	.			trans	-124.4	108.5	179.1	-177.6	178.5	-62.7	0	0	108.9	C29 V33 F160	C29-M35 HydrophobicContact CB-CG 4.46Å; C29-M35 WeakPolarHBondContact CB-O 3.38Å; C29-M35 PolarHBondContact N-O 3.06Å; V33-M35 HydrophobicContact CG1-CB 4.25Å; V33-M35 PolarHBondContact O-N 3.22Å; M35-F160 HydrophobicContact CE-CE1 4.49Å; M35-F160 HydrophobicContact CE-CZ 3.85Å
36	S	75.2	Confident	84.8	Confident	92 Å²	92	84.5 Å²	84.5	64%	0.643	48%	0.481	S	S	*	.			trans	-128.3	138	167.7	57.2	0	0	0	0	108.2
37	Y	78.9	Confident	85.7	Confident	114 Å²	114	90.2 Å²	90.2	45%	0.447	49%	0.485	S	S	.	.			trans	-142.4	148.3	171.3	68.4	-81.9	0	0	0	109.8	C29 N39	C29-Y37 HydrophobicContact CB-CE1 4.32Å; C29-Y37 VanDerWaalsContact SG-CE1 3.51Å; Y37-N39 WeakPolarHBondContact CE2-OD1 3.41Å; Y37-N39 PolarHBondContact OH-OD1 3.16Å
38	H	84.4	Confident	86.6	Confident	87 Å²	87	90.3 Å²	90.3	40%	0.403	47%	0.472	S	S	.	.			trans	-82	137.1	170.1	-62.2	127.8	0	0	0	109.1	Q25 T54 D56	Q25-H38 PolarHBondContact NE2-CD2 3.03Å; H38-T54 WeakPolarHBondContact CB-O 3.21Å; H38-D56 PolarHBondContact CD2-N 3.35Å; H38-D56 VanDerWaalsContact CD2-N 3.26Å; H38-D56 PolarHBondContact CE1-N 2.9Å; H38-D56 PolarHBondContact ND1-N 2.81Å; H38-D56 WeakPolarHBondContact NE2-CA 3.43Å; H38-D56 PolarHBondContact NE2-N 2.82Å
39	N	89.2	Confident	87.5	Confident	54 Å²	54	86.7 Å²	86.7	29%	0.289	45%	0.451	S	S	.	.			trans	-83.5	143	-170.6	-70.8	-83.1	0	0	0	111.4	Y37 F41 T54	Y37-N39 WeakPolarHBondContact CE2-OD1 3.41Å; Y37-N39 PolarHBondContact OH-OD1 3.16Å; N39-F41 HydrophobicContact CB-CD2 4.45Å; N39-F41 HydrophobicContact CB-CE1 4.04Å; N39-F41 HydrophobicContact CB-CE2 3.61Å; N39-F41 HydrophobicContact CB-CZ 3.37Å; N39-T54 PolarHBondContact N-OG1 2.74Å; N39-T54 WeakPolarHBondContact O-CB 3.42Å; N39-T54 WeakPolarHBondContact O-CG2 3.43Å; N39-T54 PolarHBondContact O-OG1 3.44Å
40	S	93.9	Very high	88.5	Confident	29 Å²	29	83.5 Å²	83.5	20%	0.203	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	143.7	163.3	-62.5	0	0	0	0	108.9	L52	S40-L52 CarbonylContact C-O 3.54Å; S40-L52 VanDerWaalsContact CA-O 3.28Å; S40-L52 WeakPolarHBondContact CA-O 3.37Å
41	F	95.1	Very high	89.4	Confident	67 Å²	67	82.2 Å²	82.2	29%	0.294	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	136.3	-174.8	-54.3	-88.1	0	0	0	110.9	I16 N39 I43 I51 L52 T54	I16-F41 HydrophobicContact CG2-CE2 4.36Å; N39-F41 HydrophobicContact CB-CD2 4.45Å; N39-F41 HydrophobicContact CB-CE1 4.04Å; N39-F41 HydrophobicContact CB-CE2 3.61Å; N39-F41 HydrophobicContact CB-CZ 3.37Å; F41-I43 HydrophobicContact CB-CD1 4.23Å; F41-I43 HydrophobicContact CB-CG1 4.07Å; F41-I51 WeakPolarHBondContact O-CA 3.17Å; F41-L52 HydrophobicContact CB-CB 4.32Å; F41-L52 HydrophobicContact CD2-CD2 4.03Å; F41-L52 HydrophobicContact CD2-CG 4.16Å; F41-L52 PolarHBondContact N-O 2.88Å; F41-L52 PolarHBondContact O-N 3.24Å; F41-T54 HydrophobicContact CD2-CG2 4.49Å; F41-T54 HydrophobicContact CE2-CG2 4.23Å
42	L	96.1	Very high	90.2	Very high	107 Å²	107	72.9 Å²	72.9	56%	0.56	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.1	123	160.5	-64.7	176.9	0	0	0	108.3	I51 I70	L42-I51 HydrophobicContact CD2-CG1 3.99Å; L42-I70 HydrophobicContact CD1-CD1 4.43Å; L42-I70 HydrophobicContact CD1-CG1 4.19Å; L42-I70 HydrophobicContact CD2-CD1 4Å; L42-I70 HydrophobicContact CD2-CG1 4.09Å; L42-I70 HydrophobicContact CD2-CG2 4.14Å; L42-I70 HydrophobicContact CG-CD1 3.67Å; L42-I70 HydrophobicContact CG-CG1 3.9Å
43	I	97.3	Very high	90.9	Very high	17 Å²	17	65.5 Å²	65.5	9%	0.087	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	121.7	-178.2	-58.6	172.7	0	0	0	107.5	A9 C12 V13 I16 F41 A49 W50 L52	A9-I43 HydrophobicContact CB-CG2 3.89Å; C12-I43 HydrophobicContact CB-CG2 3.7Å; V13-I43 HydrophobicContact CG2-CB 4.41Å; V13-I43 HydrophobicContact CG2-CD1 3.72Å; I16-I43 HydrophobicContact CD1-CD1 3.89Å; F41-I43 HydrophobicContact CB-CD1 4.23Å; F41-I43 HydrophobicContact CB-CG1 4.07Å; I43-A49 CarbonylContact O-C 3.6Å; I43-A49 VanDerWaalsContact O-CA 3.3Å; I43-A49 WeakPolarHBondContact O-CA 3.45Å; I43-W50 PolarHBondContact N-O 3.4Å; I43-W50 PolarHBondContact O-N 2.94Å; I43-L52 HydrophobicContact CD1-CB 4.14Å; I43-L52 HydrophobicContact CD1-CD2 4.04Å
44	A	96.6	Very high	91.8	Very high	56 Å²	56	61.7 Å²	61.7	46%	0.463	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	145.9	-176.1	0	0	0	0	0	112.1	E48 A49 I170	A44-E48 WeakPolarHBondContact CA-O 3.22Å; A44-A49 HydrophobicContact CB-CB 3.82Å; A44-I170 HydrophobicContact CB-CD1 4.29Å
45	D	96	Very high	92.7	Very high	36 Å²	36	52.2 Å²	52.2	19%	0.193	27%	0.27	C	S	.	.			trans	-128.2	-165.5	167.2	69	26.1	0	0	0	110.2	T8 A9 K47 E48	T8-D45 WeakPolarHBondContact CA-OD2 3.5Å; A9-D45 HydrophobicContact CB-CB 4.13Å; A9-D45 PolarHBondContact N-OD2 3.38Å; D45-K47 PolarHBondContact O-N 2.91Å; D45-K47 WeakPolarHBondContact OD1-CA 3.39Å; D45-K47 WeakPolarHBondContact OD1-CB 3.32Å; D45-K47 PolarHBondContact OD1-N 3.4Å; D45-E48 PolarHBondContact N-O 3.14Å; D45-E48 PolarHBondContact OD1-N 3.39Å
46	R	95.8	Very high	93.4	Very high	64 Å²	64	53 Å²	53	24%	0.242	28%	0.275	C	S	.	.	S	Bend	trans	-70.9	-14	-178.3	-65.7	-172	175.5	-102.6	10.1	114.5	I170 P171 S172 D173 V176	R46-I170 HydrophobicContact CB-CG2 4.36Å; R46-I170 HydrophobicContact CG-CG2 3.68Å; R46-P171 WeakPolarHBondContact CD-O 3.42Å; R46-P171 VanDerWaalsContact CG-O 3.24Å; R46-P171 WeakPolarHBondContact CG-O 3.49Å; R46-P171 PolarHBondContact NH1-O 2.7Å; R46-S172 PolarHBondContact O-OG 3.26Å; R46-D173 PolarHBondContact NH1-O 3.33Å; R46-V176 PolarHBondContact NH1-O 2.98Å; R46-V176 PolarHBondContact NH2-O 3.49Å
47	K	96.5	Very high	94.2	Very high	194 Å²	194	49.8 Å²	49.8	84%	0.843	25%	0.253	S	S	*	.	S	Bend	trans	-110.4	-36.6	-173	-64.3	-177.3	-179.9	178.3	0	112.4	D45	D45-K47 PolarHBondContact O-N 2.91Å; D45-K47 WeakPolarHBondContact OD1-CA 3.39Å; D45-K47 WeakPolarHBondContact OD1-CB 3.32Å; D45-K47 PolarHBondContact OD1-N 3.4Å
48	E	97.4	Very high	95.1	Very high	48 Å²	48	44.4 Å²	44.4	22%	0.224	23%	0.232	C	C	.	.			trans	-155	163.1	-172.5	57.9	-178.6	-167.5	0	0	113.1	A9 A44 D45 W50 K63	A9-E48 HydrophobicContact CB-CG 4.37Å; A44-E48 WeakPolarHBondContact CA-O 3.22Å; D45-E48 PolarHBondContact N-O 3.14Å; D45-E48 PolarHBondContact OD1-N 3.39Å; E48-W50 PolarHBondContact OE1-NE1 2.85Å; E48-K63 WeakPolarHBondContact OE2-CE 3.45Å; E48-K63 IonicContact OE2-NZ 2.65Å; E48-K63 PolarHBondContact OE2-NZ 2.95Å
49	A	97.7	Very high	95.7	Very high	31 Å²	31	40.3 Å²	40.3	26%	0.256	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	149.9	173.1	0	0	0	0	0	110.3	I43 A44 K63 V64	I43-A49 CarbonylContact O-C 3.6Å; I43-A49 VanDerWaalsContact O-CA 3.3Å; I43-A49 WeakPolarHBondContact O-CA 3.45Å; A44-A49 HydrophobicContact CB-CB 3.82Å; A49-K63 WeakPolarHBondContact O-CA 3.46Å; A49-V64 HydrophobicContact CB-CB 4.04Å; A49-V64 HydrophobicContact CB-CG2 4.14Å; A49-V64 PolarHBondContact O-N 3.12Å
50	W	98.4	Very high	96.1	Very high	5 Å²	5	37.8 Å²	37.8	2%	0.019	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	144.3	-175	-70	87.9	0	0	0	110.2	Y10 V13 I43 E48 A61 A62 K63 T81 L82	Y10-W50 AromaticContact CD2-CZ2 3.97Å; Y10-W50 HydrophobicContact CD2-CZ2 3.97Å; V13-W50 HydrophobicContact CG2-CB 3.74Å; V13-W50 HydrophobicContact CG2-CD2 4.38Å; V13-W50 HydrophobicContact CG2-CG 3.94Å; I43-W50 PolarHBondContact N-O 3.4Å; I43-W50 PolarHBondContact O-N 2.94Å; E48-W50 PolarHBondContact OE1-NE1 2.85Å; W50-A61 HydrophobicContact CE3-CB 3.93Å; W50-A61 HydrophobicContact CZ3-CB 4.3Å; W50-A62 WeakPolarHBondContact CA-O 3.49Å; W50-K63 HydrophobicContact CD2-CG 3.77Å; W50-K63 HydrophobicContact CE3-CB 4.47Å; W50-K63 HydrophobicContact CE3-CG 3.8Å; W50-K63 HydrophobicContact CH2-CD 4.17Å; W50-K63 HydrophobicContact CH2-CG 3.46Å; W50-K63 VanDerWaalsContact CH2-CG 3.46Å; W50-K63 HydrophobicContact CZ2-CD 3.9Å; W50-K63 HydrophobicContact CZ2-CG 3.43Å; W50-K63 VanDerWaalsContact CZ2-CG 3.43Å; W50-K63 HydrophobicContact CZ3-CG 3.64Å; W50-T81 WeakPolarHBondContact CH2-OG1 3.2Å; W50-T81 WeakPolarHBondContact CZ3-OG1 3.35Å; W50-L82 HydrophobicContact CE3-CD1 4.44Å; W50-L82 HydrophobicContact CH2-CD1 3.69Å; W50-L82 HydrophobicContact CH2-CG 3.95Å; W50-L82 HydrophobicContact CZ2-CD1 4.22Å; W50-L82 HydrophobicContact CZ3-CD1 3.82Å; W50-L82 HydrophobicContact CZ3-CG 4.01Å
51	I	98.2	Very high	96.4	Very high	16 Å²	16	36.4 Å²	36.4	8%	0.082	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	123.8	160.3	-49.8	175.9	0	0	0	106.4	F41 L42 E53 A61 A62 V64 A68 I70 I76	F41-I51 WeakPolarHBondContact O-CA 3.17Å; L42-I51 HydrophobicContact CD2-CG1 3.99Å; I51-E53 HydrophobicContact CG2-CG 3.83Å; I51-A61 CarbonylContact O-C 3.56Å; I51-A61 WeakPolarHBondContact O-CA 3.41Å; I51-A61 WeakPolarHBondContact O-CB 3.37Å; I51-A62 PolarHBondContact N-O 2.89Å; I51-A62 PolarHBondContact O-N 2.85Å; I51-V64 HydrophobicContact CD1-CG2 4.38Å; I51-V64 HydrophobicContact CG1-CG2 3.73Å; I51-A68 HydrophobicContact CD1-CB 3.66Å; I51-A68 HydrophobicContact CG1-CB 4.18Å; I51-I70 HydrophobicContact CD1-CG2 4Å; I51-I70 HydrophobicContact CG1-CG2 4.32Å; I51-I70 HydrophobicContact CG2-CG2 3.76Å; I51-I76 HydrophobicContact CB-CD1 4.11Å; I51-I76 HydrophobicContact CG2-CD1 4.06Å; I51-I76 HydrophobicContact CG2-CG1 4.48Å
52	L	97.9	Very high	96.5	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	118.7	169.2	168.6	62.1	0	0	0	108	V13 I16 S40 F41 I43 T54 W59 V60 A61	V13-L52 HydrophobicContact CG1-CD1 4.38Å; I16-L52 HydrophobicContact CB-CD2 3.83Å; I16-L52 HydrophobicContact CG2-CD2 3.54Å; S40-L52 CarbonylContact C-O 3.54Å; S40-L52 VanDerWaalsContact CA-O 3.28Å; S40-L52 WeakPolarHBondContact CA-O 3.37Å; F41-L52 HydrophobicContact CB-CB 4.32Å; F41-L52 HydrophobicContact CD2-CD2 4.03Å; F41-L52 HydrophobicContact CD2-CG 4.16Å; F41-L52 PolarHBondContact N-O 2.88Å; F41-L52 PolarHBondContact O-N 3.24Å; I43-L52 HydrophobicContact CD1-CB 4.14Å; I43-L52 HydrophobicContact CD1-CD2 4.04Å; L52-T54 HydrophobicContact CD1-CG2 4.29Å; L52-T54 HydrophobicContact CG-CG2 4.12Å; L52-W59 HydrophobicContact CD1-CB 3.92Å; L52-W59 HydrophobicContact CD1-CD2 4.01Å; L52-W59 HydrophobicContact CD1-CE3 3.49Å; L52-W59 VanDerWaalsContact CD1-CE3 3.49Å; L52-W59 HydrophobicContact CD1-CG 4.2Å; L52-W59 HydrophobicContact CD1-CZ3 4.34Å; L52-V60 WeakPolarHBondContact CD1-O 3.46Å; L52-A61 HydrophobicContact CB-CB 4.48Å; L52-A61 HydrophobicContact CD1-CB 4.26Å
53	E	96.8	Very high	96.6	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	143.6	177	-65.7	-169.7	169	0	0	110.1	I51 W59 V60 L74 T75 I76 F105	I51-E53 HydrophobicContact CG2-CG 3.83Å; E53-W59 CarbonylContact O-C 3.49Å; E53-W59 WeakPolarHBondContact O-CA 3.49Å; E53-W59 WeakPolarHBondContact O-CB 3.31Å; E53-V60 HydrophobicContact CB-CG2 4.28Å; E53-V60 PolarHBondContact N-O 2.56Å; E53-V60 PolarHBondContact O-N 3.33Å; E53-L74 HydrophobicContact CB-CD2 4.06Å; E53-L74 HydrophobicContact CG-CD2 4.44Å; E53-T75 WeakPolarHBondContact OE1-CA 3.42Å; E53-T75 WeakPolarHBondContact OE1-CB 3.2Å; E53-T75 WeakPolarHBondContact OE1-CG2 3.44Å; E53-T75 PolarHBondContact OE1-N 2.86Å; E53-T75 PolarHBondContact OE1-OG1 3.2Å; E53-T75 PolarHBondContact OE2-N 3.47Å; E53-I76 HydrophobicContact CB-CD1 4.08Å; E53-I76 HydrophobicContact CG-CD1 3.67Å; E53-I76 HydrophobicContact CG-CG1 3.99Å; E53-I76 PolarHBondContact OE1-N 2.91Å; E53-I76 WeakPolarHBondContact OE2-CB 3.29Å; E53-I76 PolarHBondContact OE2-N 3.21Å; E53-F105 HydrophobicContact CB-CD1 4.17Å; E53-F105 HydrophobicContact CB-CE1 3.92Å
54	T	95.7	Very high	96.6	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.006	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	151.5	-167.7	74.2	0	0	0	0	110.2	L20 Q25 H38 N39 F41 L52 V58 W59	L20-T54 HydrophobicContact CD1-CG2 3.37Å; Q25-T54 PolarHBondContact NE2-OG1 3.12Å; Q25-T54 PolarHBondContact OE1-OG1 3.22Å; H38-T54 WeakPolarHBondContact CB-O 3.21Å; N39-T54 PolarHBondContact N-OG1 2.74Å; N39-T54 WeakPolarHBondContact O-CB 3.42Å; N39-T54 WeakPolarHBondContact O-CG2 3.43Å; N39-T54 PolarHBondContact O-OG1 3.44Å; F41-T54 HydrophobicContact CD2-CG2 4.49Å; F41-T54 HydrophobicContact CE2-CG2 4.23Å; L52-T54 HydrophobicContact CD1-CG2 4.29Å; L52-T54 HydrophobicContact CG-CG2 4.12Å; T54-V58 WeakPolarHBondContact CA-O 3.48Å; T54-W59 HydrophobicContact CG2-CB 4.02Å
55	A	93	Very high	96.4	Very high	7 Å²	7	39.8 Å²	39.8	6%	0.058	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	112.6	171.1	0	0	0	0	0	108.3	C57 V58 F105 F109	A55-C57 PolarHBondContact O-N 3.31Å; A55-V58 HydrophobicContact CB-CG2 4.01Å; A55-V58 PolarHBondContact N-O 3.42Å; A55-V58 WeakPolarHBondContact O-CG2 3.33Å; A55-V58 PolarHBondContact O-N 2.77Å; A55-F105 HydrophobicContact CB-CZ 3.9Å; A55-F109 HydrophobicContact CB-CB 3.73Å; A55-F109 HydrophobicContact CB-CD1 3.85Å; A55-F109 HydrophobicContact CB-CG 3.96Å
56	D	90.9	Very high	96.3	Very high	87 Å²	87	41.5 Å²	41.5	47%	0.465	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	49	-112.4	-173.3	178.8	40.3	0	0	0	111.5	Q25 H38	Q25-D56 PolarHBondContact NE2-O 3.48Å; H38-D56 PolarHBondContact CD2-N 3.35Å; H38-D56 VanDerWaalsContact CD2-N 3.26Å; H38-D56 PolarHBondContact CE1-N 2.9Å; H38-D56 PolarHBondContact ND1-N 2.81Å; H38-D56 WeakPolarHBondContact NE2-CA 3.43Å; H38-D56 PolarHBondContact NE2-N 2.82Å
57	C	93	Very high	96.2	Very high	26 Å²	26	41.2 Å²	41.2	18%	0.176	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.7	10.8	-179.1	63.4	0	0	0	0	114.3	A55 N86	A55-C57 PolarHBondContact O-N 3.31Å; C57-N86 PolarHBondContact O-ND2 2.62Å; C57-N86 VanDerWaalsContact O-ND2 3.08Å; C57-N86 PolarHBondContact O-OD1 3.4Å
58	V	96.3	Very high	96.1	Very high	1 Å²	1	33 Å²	33	1%	0.006	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	152.8	173.6	-61.6	0	0	0	0	111.5	T54 A55 S84 L87 I90 F105 F109	T54-V58 WeakPolarHBondContact CA-O 3.48Å; A55-V58 HydrophobicContact CB-CG2 4.01Å; A55-V58 PolarHBondContact N-O 3.42Å; A55-V58 WeakPolarHBondContact O-CG2 3.33Å; A55-V58 PolarHBondContact O-N 2.77Å; V58-S84 WeakPolarHBondContact CA-OG 3.42Å; V58-L87 HydrophobicContact CB-CD1 4.1Å; V58-L87 HydrophobicContact CG1-CD1 4.48Å; V58-L87 HydrophobicContact CG2-CD1 4.31Å; V58-I90 HydrophobicContact CG1-CB 3.77Å; V58-I90 HydrophobicContact CG1-CG1 3.64Å; V58-I90 HydrophobicContact CG1-CG2 4.11Å; V58-F105 HydrophobicContact CB-CE2 4.46Å; V58-F105 HydrophobicContact CG2-CE2 3.85Å; V58-F105 HydrophobicContact CG2-CZ 4.25Å; V58-F109 HydrophobicContact CG2-CD1 4.05Å; V58-F109 HydrophobicContact CG2-CE1 3.66Å; V58-F109 HydrophobicContact CG2-CE2 4.26Å; V58-F109 HydrophobicContact CG2-CZ 3.78Å
59	W	97.6	Very high	96	Very high	1 Å²	1	32 Å²	32	0%	0.004	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	157.7	177.2	62.4	-90.1	0	0	0	111.4	V13 K14 G17 E21 L52 E53 T54 A61 L82 K83 S84	V13-W59 HydrophobicContact CG1-CZ3 3.95Å; K14-W59 HydrophobicContact CD-CH2 4.27Å; G17-W59 VanDerWaalsContact CA-CD1 3.46Å; G17-W59 VanDerWaalsContact CA-CE2 3.42Å; G17-W59 PolarHBondContact O-NE1 3.08Å; G17-W59 VanDerWaalsContact O-NE1 3.14Å; E21-W59 PolarHBondContact OE1-NE1 2.87Å; L52-W59 HydrophobicContact CD1-CB 3.92Å; L52-W59 HydrophobicContact CD1-CD2 4.01Å; L52-W59 HydrophobicContact CD1-CE3 3.49Å; L52-W59 VanDerWaalsContact CD1-CE3 3.49Å; L52-W59 HydrophobicContact CD1-CG 4.2Å; L52-W59 HydrophobicContact CD1-CZ3 4.34Å; E53-W59 CarbonylContact O-C 3.49Å; E53-W59 WeakPolarHBondContact O-CA 3.49Å; E53-W59 WeakPolarHBondContact O-CB 3.31Å; T54-W59 HydrophobicContact CG2-CB 4.02Å; W59-A61 HydrophobicContact CZ3-CB 4.3Å; W59-L82 HydrophobicContact CH2-CB 4.09Å; W59-L82 HydrophobicContact CZ3-CB 3.75Å; W59-K83 CarbonylContact O-C 3.15Å; W59-K83 VanDerWaalsContact O-CA 3.32Å; W59-K83 WeakPolarHBondContact O-CA 3.07Å; W59-S84 PolarHBondContact N-OG 2.91Å; W59-S84 PolarHBondContact O-N 3.03Å
60	V	98.5	Very high	95.8	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	152.9	170.9	-65.6	0	0	0	0	109.8	L52 E53 I76 Y80 L82 K83 L87 F105	L52-V60 WeakPolarHBondContact CD1-O 3.46Å; E53-V60 HydrophobicContact CB-CG2 4.28Å; E53-V60 PolarHBondContact N-O 2.56Å; E53-V60 PolarHBondContact O-N 3.33Å; V60-I76 HydrophobicContact CG2-CB 4.05Å; V60-I76 HydrophobicContact CG2-CD1 4.07Å; V60-I76 HydrophobicContact CG2-CG2 3.74Å; V60-Y80 HydrophobicContact CB-CD1 3.92Å; V60-Y80 HydrophobicContact CB-CD2 4.46Å; V60-Y80 HydrophobicContact CB-CG 3.79Å; V60-Y80 HydrophobicContact CG1-CD1 3.69Å; V60-Y80 HydrophobicContact CG1-CD2 4.13Å; V60-Y80 HydrophobicContact CG1-CE1 3.98Å; V60-Y80 HydrophobicContact CG1-CE2 4.41Å; V60-Y80 HydrophobicContact CG1-CG 3.77Å; V60-Y80 HydrophobicContact CG2-CD1 4.28Å; V60-L82 CarbonylContact C-O 3.57Å; V60-L82 WeakPolarHBondContact CA-O 3.44Å; V60-K83 HydrophobicContact CG1-CB 4.03Å; V60-L87 HydrophobicContact CG1-CD1 4.37Å; V60-L87 HydrophobicContact CG1-CD2 3.63Å; V60-F105 HydrophobicContact CB-CD2 4.2Å; V60-F105 HydrophobicContact CB-CG 4.26Å; V60-F105 HydrophobicContact CG1-CB 4.16Å; V60-F105 HydrophobicContact CG1-CD2 3.48Å; V60-F105 VanDerWaalsContact CG1-CD2 3.48Å; V60-F105 HydrophobicContact CG1-CE2 4.03Å; V60-F105 HydrophobicContact CG1-CG 3.93Å; V60-F105 HydrophobicContact CG2-CB 3.64Å; V60-F105 HydrophobicContact CG2-CD1 3.49Å; V60-F105 VanDerWaalsContact CG2-CD1 3.49Å; V60-F105 HydrophobicContact CG2-CD2 3.7Å; V60-F105 HydrophobicContact CG2-CE1 4.01Å; V60-F105 HydrophobicContact CG2-CE2 4.2Å; V60-F105 HydrophobicContact CG2-CG 3.32Å; V60-F105 HydrophobicContact CG2-CZ 4.34Å
61	A	98.6	Very high	95.5	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	142.1	171.8	0	0	0	0	0	112.5	V13 W50 I51 L52 W59 Y80 T81 L82	V13-A61 HydrophobicContact CG1-CB 3.48Å; V13-A61 VanDerWaalsContact CG1-CB 3.48Å; W50-A61 HydrophobicContact CE3-CB 3.93Å; W50-A61 HydrophobicContact CZ3-CB 4.3Å; I51-A61 CarbonylContact O-C 3.56Å; I51-A61 WeakPolarHBondContact O-CA 3.41Å; I51-A61 WeakPolarHBondContact O-CB 3.37Å; L52-A61 HydrophobicContact CB-CB 4.48Å; L52-A61 HydrophobicContact CD1-CB 4.26Å; W59-A61 HydrophobicContact CZ3-CB 4.3Å; A61-Y80 WeakPolarHBondContact O-CA 3.33Å; A61-Y80 WeakPolarHBondContact O-CB 3.36Å; A61-T81 PolarHBondContact O-N 3.19Å; A61-L82 HydrophobicContact CB-CB 4.18Å; A61-L82 PolarHBondContact N-O 3Å; A61-L82 PolarHBondContact O-N 2.92Å
62	A	98.4	Very high	95	Very high	5 Å²	5	37.3 Å²	37.3	4%	0.041	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	140	176.8	0	0	0	0	0	109.7	W50 I51 I76	W50-A62 WeakPolarHBondContact CA-O 3.49Å; I51-A62 PolarHBondContact N-O 2.89Å; I51-A62 PolarHBondContact O-N 2.85Å; A62-I76 HydrophobicContact CB-CD1 3.93Å; A62-I76 HydrophobicContact CB-CG1 4.19Å; A62-I76 HydrophobicContact CB-CG2 4.43Å
63	K	98.1	Very high	94.6	Very high	117 Å²	117	38.9 Å²	38.9	51%	0.509	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	142.5	171.4	-69.8	-167.7	-179.1	-163.8	0	109.7	E48 A49 W50	E48-K63 WeakPolarHBondContact OE2-CE 3.45Å; E48-K63 IonicContact OE2-NZ 2.65Å; E48-K63 PolarHBondContact OE2-NZ 2.95Å; A49-K63 WeakPolarHBondContact O-CA 3.46Å; W50-K63 HydrophobicContact CD2-CG 3.77Å; W50-K63 HydrophobicContact CE3-CB 4.47Å; W50-K63 HydrophobicContact CE3-CG 3.8Å; W50-K63 HydrophobicContact CH2-CD 4.17Å; W50-K63 HydrophobicContact CH2-CG 3.46Å; W50-K63 VanDerWaalsContact CH2-CG 3.46Å; W50-K63 HydrophobicContact CZ2-CD 3.9Å; W50-K63 HydrophobicContact CZ2-CG 3.43Å; W50-K63 VanDerWaalsContact CZ2-CG 3.43Å; W50-K63 HydrophobicContact CZ3-CG 3.64Å
64	V	96.9	Very high	94.4	Very high	37 Å²	37	40 Å²	40	22%	0.224	23%	0.232	C	C	.	.			trans	-79.7	122.6	169.1	179.1	0	0	0	0	108.2	A49 I51 A68	A49-V64 HydrophobicContact CB-CB 4.04Å; A49-V64 HydrophobicContact CB-CG2 4.14Å; A49-V64 PolarHBondContact O-N 3.12Å; I51-V64 HydrophobicContact CD1-CG2 4.38Å; I51-V64 HydrophobicContact CG1-CG2 3.73Å; V64-A68 HydrophobicContact CB-CB 4.43Å; V64-A68 HydrophobicContact CG1-CB 3.77Å; V64-A68 HydrophobicContact CG2-CB 3.8Å
65	D	93.3	Very high	94.3	Very high	159 Å²	159	41.4 Å²	41.4	85%	0.85	24%	0.241	S	C	*	.			trans	-110.3	117.6	169.5	-174.5	17.9	0	0	0	109	F67	D65-F67 PolarHBondContact O-N 2.92Å; D65-F67 VanDerWaalsContact O-N 3.1Å
66	G	92.6	Very high	94.4	Very high	73 Å²	73	41.2 Å²	41.2	75%	0.753	24%	0.239	S	C	*	.	S	Bend	trans	73.2	-93.8	-170.5	0	0	0	0	0	112.5
67	F	94.2	Very high	94.6	Very high	57 Å²	57	37.5 Å²	37.5	25%	0.25	22%	0.221	C	C	.	.			trans	-136.3	153.9	-175.5	64.5	-89.4	0	0	0	112.1	D65 R124 L127 E128 C131	D65-F67 PolarHBondContact O-N 2.92Å; D65-F67 VanDerWaalsContact O-N 3.1Å; F67-R124 HydrophobicContact CE2-CG 4.19Å; F67-L127 HydrophobicContact CB-CB 4.43Å; F67-L127 HydrophobicContact CD2-CB 3.62Å; F67-L127 HydrophobicContact CD2-CD1 4.23Å; F67-L127 HydrophobicContact CE2-CB 4.13Å; F67-L127 HydrophobicContact CG-CB 4.15Å; F67-E128 HydrophobicContact CE1-CB 4.35Å; F67-E128 HydrophobicContact CE1-CG 4.49Å; F67-E128 HydrophobicContact CE2-CB 4.01Å; F67-E128 HydrophobicContact CZ-CB 3.56Å; F67-E128 HydrophobicContact CZ-CG 3.88Å; F67-C131 HydrophobicContact CD1-CB 4.09Å; F67-C131 HydrophobicContact CE1-CB 4.47Å
68	A	94.7	Very high	94.8	Very high	21 Å²	21	41 Å²	41	17%	0.174	24%	0.238	C	C	.	.			trans	-139.9	144.5	175	0	0	0	0	0	110.6	I51 V64 L127	I51-A68 HydrophobicContact CD1-CB 3.66Å; I51-A68 HydrophobicContact CG1-CB 4.18Å; V64-A68 HydrophobicContact CB-CB 4.43Å; V64-A68 HydrophobicContact CG1-CB 3.77Å; V64-A68 HydrophobicContact CG2-CB 3.8Å; A68-L127 WeakPolarHBondContact O-CD1 3.48Å
69	N	94.9	Very high	94.8	Very high	29 Å²	29	45.7 Å²	45.7	16%	0.155	26%	0.263	C	S	.	.			trans	-125.5	126.7	169.2	-170.8	44.3	0	0	0	108.4	R119 Q120 G123 R124 L127	N69-R119 PolarHBondContact ND2-O 2.93Å; N69-Q120 WeakPolarHBondContact ND2-CA 2.94Å; N69-Q120 PolarHBondContact ND2-O 3.5Å; N69-G123 WeakPolarHBondContact ND2-CA 3.36Å; N69-R124 HydrophobicContact CB-CB 4.26Å; N69-R124 PolarHBondContact ND2-N 2.81Å; N69-L127 HydrophobicContact CB-CD1 3.91Å
70	I	94.1	Very high	94.8	Very high	33 Å²	33	47.4 Å²	47.4	17%	0.169	27%	0.27	C	S	.	.			trans	-120.9	155.4	174.7	66.9	164.9	0	0	0	110	L42 I51 T75	L42-I70 HydrophobicContact CD1-CD1 4.43Å; L42-I70 HydrophobicContact CD1-CG1 4.19Å; L42-I70 HydrophobicContact CD2-CD1 4Å; L42-I70 HydrophobicContact CD2-CG1 4.09Å; L42-I70 HydrophobicContact CD2-CG2 4.14Å; L42-I70 HydrophobicContact CG-CD1 3.67Å; L42-I70 HydrophobicContact CG-CG1 3.9Å; I51-I70 HydrophobicContact CD1-CG2 4Å; I51-I70 HydrophobicContact CG1-CG2 4.32Å; I51-I70 HydrophobicContact CG2-CG2 3.76Å; I70-T75 HydrophobicContact CG2-CG2 4.41Å
71	S	91.7	Very high	94.8	Very high	26 Å²	26	52 Å²	52	18%	0.182	30%	0.298	C	S	.	.			trans	-154.3	-147	177.6	67.2	0	0	0	0	108.7	N73 D117 Q120	S71-N73 PolarHBondContact O-N 2.92Å; S71-D117 WeakPolarHBondContact CB-OD2 3.47Å; S71-D117 VanDerWaalsContact OG-CG 3.31Å; S71-D117 PolarHBondContact OG-OD2 3.28Å; S71-Q120 WeakPolarHBondContact OG-CB 3.4Å; S71-Q120 WeakPolarHBondContact OG-CG 3.15Å
72	N	87.5	Confident	94.8	Very high	104 Å²	104	53.4 Å²	53.4	56%	0.556	31%	0.305	S	S	*	.	S	Bend	trans	-79	2.3	-175.3	-69.5	68.2	0	0	0	114.4	D117 R119	N72-D117 PolarHBondContact N-OD2 3.47Å; N72-R119 PolarHBondContact OD1-NH2 2.9Å
73	N	89.9	Confident	94.8	Very high	33 Å²	33	57.5 Å²	57.5	18%	0.176	32%	0.322	C	S	.	.	S	Bend	trans	-110.6	147.2	174.1	-79.4	-7.1	0	0	0	111.5	S71 T75 G115 D117	S71-N73 PolarHBondContact O-N 2.92Å; N73-T75 WeakPolarHBondContact O-CG2 3.5Å; N73-G115 PolarHBondContact ND2-O 3.28Å; N73-D117 HydrophobicContact CB-CB 4.47Å
74	L	93	Very high	94.7	Very high	23 Å²	23	51.9 Å²	51.9	12%	0.12	30%	0.298	C	S	.	.			trans	-68.5	144	168.9	-53.8	178.2	0	0	0	110	E53 F105 K106 F109 S110	E53-L74 HydrophobicContact CB-CD2 4.06Å; E53-L74 HydrophobicContact CG-CD2 4.44Å; L74-F105 HydrophobicContact CD1-CD1 3.89Å; L74-F105 HydrophobicContact CD1-CE1 3.75Å; L74-F105 HydrophobicContact CD2-CE1 4.12Å; L74-K106 HydrophobicContact CB-CB 3.77Å; L74-F109 HydrophobicContact CD1-CB 3.78Å; L74-S110 WeakPolarHBondContact CB-OG 3.34Å
75	T	93.1	Very high	94.7	Very high	30 Å²	30	54.6 Å²	54.6	18%	0.184	32%	0.324	C	S	.	.			trans	-125.8	-25.3	-169.3	78.2	0	0	0	0	112.1	E53 I70 N73 G77	E53-T75 WeakPolarHBondContact OE1-CA 3.42Å; E53-T75 WeakPolarHBondContact OE1-CB 3.2Å; E53-T75 WeakPolarHBondContact OE1-CG2 3.44Å; E53-T75 PolarHBondContact OE1-N 2.86Å; E53-T75 PolarHBondContact OE1-OG1 3.2Å; E53-T75 PolarHBondContact OE2-N 3.47Å; I70-T75 HydrophobicContact CG2-CG2 4.41Å; N73-T75 WeakPolarHBondContact O-CG2 3.5Å; T75-G77 PolarHBondContact O-N 3.31Å
76	I	95.8	Very high	94.8	Very high	4 Å²	4	48.9 Å²	48.9	2%	0.021	29%	0.293	C	S	.	.			trans	-79	122.4	-176.5	-63.7	176.2	0	0	0	109	I51 E53 V60 A62 Y80 F105 K106	I51-I76 HydrophobicContact CB-CD1 4.11Å; I51-I76 HydrophobicContact CG2-CD1 4.06Å; I51-I76 HydrophobicContact CG2-CG1 4.48Å; E53-I76 HydrophobicContact CB-CD1 4.08Å; E53-I76 HydrophobicContact CG-CD1 3.67Å; E53-I76 HydrophobicContact CG-CG1 3.99Å; E53-I76 PolarHBondContact OE1-N 2.91Å; E53-I76 WeakPolarHBondContact OE2-CB 3.29Å; E53-I76 PolarHBondContact OE2-N 3.21Å; V60-I76 HydrophobicContact CG2-CB 4.05Å; V60-I76 HydrophobicContact CG2-CD1 4.07Å; V60-I76 HydrophobicContact CG2-CG2 3.74Å; A62-I76 HydrophobicContact CB-CD1 3.93Å; A62-I76 HydrophobicContact CB-CG1 4.19Å; A62-I76 HydrophobicContact CB-CG2 4.43Å; I76-Y80 HydrophobicContact CG2-CD1 3.91Å; I76-Y80 HydrophobicContact CG2-CG 4.36Å; I76-F105 WeakPolarHBondContact O-CB 3.36Å; I76-K106 WeakPolarHBondContact O-CB 3.45Å; I76-K106 WeakPolarHBondContact O-CG 3.09Å; I76-K106 PolarHBondContact O-N 2.94Å
77	G	95.5	Very high	95	Very high	9 Å²	9	45.4 Å²	45.4	9%	0.093	26%	0.258	C	S	.	.			trans	-85.3	-119.8	174.3	0	0	0	0	0	110.8	T75 N79 Y80 S104 F105	T75-G77 PolarHBondContact O-N 3.31Å; G77-N79 PolarHBondContact N-OD1 3.29Å; G77-Y80 VanDerWaalsContact O-CD1 3.26Å; G77-Y80 WeakPolarHBondContact O-CD1 3.26Å; G77-Y80 WeakPolarHBondContact O-CE1 3.26Å; G77-S104 WeakPolarHBondContact CA-OG 3.42Å; G77-F105 PolarHBondContact O-N 2.6Å
78	N	96.6	Very high	95.1	Very high	98 Å²	98	45.3 Å²	45.3	52%	0.524	26%	0.258	S	S	.	.	S	Bend	trans	-99.2	4.7	175.1	62.7	3.4	0	0	0	113.1	Y80 P102 L103	N78-Y80 VanDerWaalsContact C-N 3.29Å; N78-Y80 PolarHBondContact O-N 2.94Å; N78-P102 HydrophobicContact CB-CB 4.26Å; N78-L103 VanDerWaalsContact CA-O 3.26Å; N78-L103 WeakPolarHBondContact CA-O 3.44Å; N78-L103 WeakPolarHBondContact CB-O 3.39Å
79	N	96.2	Very high	95.1	Very high	101 Å²	101	51.1 Å²	51.1	54%	0.54	28%	0.279	S	S	.	.			trans	-90.2	14.4	-175.2	67.2	-61.4	0	0	0	113.5	G77	G77-N79 PolarHBondContact N-OD1 3.29Å
80	Y	98	Very high	95.2	Very high	36 Å²	36	51.9 Å²	51.9	14%	0.141	28%	0.283	C	S	.	.			trans	-69	148.5	171.3	50.8	-99.1	0	0	0	111	V60 A61 I76 G77 N78 K83 L87 L103 F105	V60-Y80 HydrophobicContact CB-CD1 3.92Å; V60-Y80 HydrophobicContact CB-CD2 4.46Å; V60-Y80 HydrophobicContact CB-CG 3.79Å; V60-Y80 HydrophobicContact CG1-CD1 3.69Å; V60-Y80 HydrophobicContact CG1-CD2 4.13Å; V60-Y80 HydrophobicContact CG1-CE1 3.98Å; V60-Y80 HydrophobicContact CG1-CE2 4.41Å; V60-Y80 HydrophobicContact CG1-CG 3.77Å; V60-Y80 HydrophobicContact CG2-CD1 4.28Å; A61-Y80 WeakPolarHBondContact O-CA 3.33Å; A61-Y80 WeakPolarHBondContact O-CB 3.36Å; I76-Y80 HydrophobicContact CG2-CD1 3.91Å; I76-Y80 HydrophobicContact CG2-CG 4.36Å; G77-Y80 VanDerWaalsContact O-CD1 3.26Å; G77-Y80 WeakPolarHBondContact O-CD1 3.26Å; G77-Y80 WeakPolarHBondContact O-CE1 3.26Å; N78-Y80 VanDerWaalsContact C-N 3.29Å; N78-Y80 PolarHBondContact O-N 2.94Å; Y80-K83 HydrophobicContact CD2-CB 4.2Å; Y80-K83 HydrophobicContact CE2-CB 4.23Å; Y80-K83 HydrophobicContact CE2-CD 3.95Å; Y80-K83 HydrophobicContact CE2-CG 4.48Å; Y80-L87 HydrophobicContact CE1-CD2 4.42Å; Y80-L87 HydrophobicContact CE2-CD2 4.16Å; Y80-L103 HydrophobicContact CE1-CD2 4.41Å; Y80-L103 WeakPolarHBondContact CE1-O 3.22Å; Y80-L103 WeakPolarHBondContact OH-CB 3.45Å; Y80-L103 PolarHBondContact OH-O 3.14Å; Y80-F105 HydrophobicContact CD1-CB 4.5Å; Y80-F105 HydrophobicContact CE1-CB 4.45Å
81	T	97.7	Very high	95.3	Very high	98 Å²	98	50.3 Å²	50.3	60%	0.601	28%	0.275	S	S	*	.	S	Bend	trans	-112.7	-15.7	176.5	56.4	0	0	0	0	112.3	W50 A61	W50-T81 WeakPolarHBondContact CH2-OG1 3.2Å; W50-T81 WeakPolarHBondContact CZ3-OG1 3.35Å; A61-T81 PolarHBondContact O-N 3.19Å
82	L	98.4	Very high	95.5	Very high	28 Å²	28	51.5 Å²	51.5	15%	0.147	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	147.5	170.7	-57.1	174.6	0	0	0	109.5	Y10 V13 W50 W59 V60 A61	Y10-L82 HydrophobicContact CD2-CD1 3.94Å; Y10-L82 HydrophobicContact CE2-CD1 3.7Å; Y10-L82 HydrophobicContact CE2-CD2 3.93Å; Y10-L82 HydrophobicContact CE2-CG 4.4Å; V13-L82 HydrophobicContact CG1-CD1 3.88Å; W50-L82 HydrophobicContact CE3-CD1 4.44Å; W50-L82 HydrophobicContact CH2-CD1 3.69Å; W50-L82 HydrophobicContact CH2-CG 3.95Å; W50-L82 HydrophobicContact CZ2-CD1 4.22Å; W50-L82 HydrophobicContact CZ3-CD1 3.82Å; W50-L82 HydrophobicContact CZ3-CG 4.01Å; W59-L82 HydrophobicContact CH2-CB 4.09Å; W59-L82 HydrophobicContact CZ3-CB 3.75Å; V60-L82 CarbonylContact C-O 3.57Å; V60-L82 WeakPolarHBondContact CA-O 3.44Å; A61-L82 HydrophobicContact CB-CB 4.18Å; A61-L82 PolarHBondContact N-O 3Å; A61-L82 PolarHBondContact O-N 2.92Å
83	K	98	Very high	95.8	Very high	91 Å²	91	52.7 Å²	52.7	40%	0.396	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	161.6	179.8	60.6	172.9	-179.7	178.5	0	111.4	W59 V60 Y80 L87 E88	W59-K83 CarbonylContact O-C 3.15Å; W59-K83 VanDerWaalsContact O-CA 3.32Å; W59-K83 WeakPolarHBondContact O-CA 3.07Å; V60-K83 HydrophobicContact CG1-CB 4.03Å; Y80-K83 HydrophobicContact CD2-CB 4.2Å; Y80-K83 HydrophobicContact CE2-CB 4.23Å; Y80-K83 HydrophobicContact CE2-CD 3.95Å; Y80-K83 HydrophobicContact CE2-CG 4.48Å; K83-L87 HydrophobicContact CB-CD2 3.83Å; K83-L87 HydrophobicContact CD-CB 4.43Å; K83-L87 HydrophobicContact CD-CD2 3.83Å; K83-L87 HydrophobicContact CG-CD2 4.45Å; K83-E88 IonicContact NZ-OE1 2.56Å; K83-E88 PolarHBondContact NZ-OE1 3.31Å; K83-E88 IonicContact NZ-OE2 3.12Å; K83-E88 PolarHBondContact NZ-OE2 3.38Å; K83-E88 VanDerWaalsContact NZ-OE2 3.12Å
84	S	97.5	Very high	95.9	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	30%	0.298	C	S	.	.			trans	-67.8	150	169.4	69.2	0	0	0	0	112.4	E21 V58 W59 N86 L87	E21-S84 WeakPolarHBondContact OE1-CA 3.24Å; E21-S84 WeakPolarHBondContact OE1-CB 3.5Å; V58-S84 WeakPolarHBondContact CA-OG 3.42Å; W59-S84 PolarHBondContact N-OG 2.91Å; W59-S84 PolarHBondContact O-N 3.03Å; S84-N86 WeakPolarHBondContact CB-OD1 3.28Å; S84-N86 PolarHBondContact O-N 3.45Å; S84-N86 PolarHBondContact OG-OD1 3.25Å; S84-L87 WeakPolarHBondContact O-CB 3.36Å; S84-L87 PolarHBondContact O-N 2.84Å; S84-L87 PolarHBondContact OG-N 3.07Å
85	A	95.9	Very high	95.8	Very high	94 Å²	94	55.6 Å²	55.6	78%	0.777	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-25.2	-177.7	0	0	0	0	0	113.2
86	N	94.8	Very high	95.8	Very high	38 Å²	38	60 Å²	60	20%	0.203	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92	0	-179.6	62.2	-18.1	0	0	0	114.1	C57 S84 E88 K89 I90	C57-N86 PolarHBondContact O-ND2 2.62Å; C57-N86 VanDerWaalsContact O-ND2 3.08Å; C57-N86 PolarHBondContact O-OD1 3.4Å; S84-N86 WeakPolarHBondContact CB-OD1 3.28Å; S84-N86 PolarHBondContact O-N 3.45Å; S84-N86 PolarHBondContact OG-OD1 3.25Å; N86-E88 PolarHBondContact O-N 3.29Å; N86-K89 WeakPolarHBondContact O-CB 3.34Å; N86-K89 PolarHBondContact O-N 3.06Å; N86-K89 VanDerWaalsContact O-N 3.16Å; N86-I90 HydrophobicContact CB-CG1 4.33Å; N86-I90 WeakPolarHBondContact O-CG1 3.35Å; N86-I90 PolarHBondContact O-N 2.98Å
87	L	97	Very high	95.8	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-52	-56.9	-169.8	177.2	64.4	0	0	0	113.2	V58 V60 Y80 K83 S84 K89 I90 A91 L103 F105 F109	V58-L87 HydrophobicContact CB-CD1 4.1Å; V58-L87 HydrophobicContact CG1-CD1 4.48Å; V58-L87 HydrophobicContact CG2-CD1 4.31Å; V60-L87 HydrophobicContact CG1-CD1 4.37Å; V60-L87 HydrophobicContact CG1-CD2 3.63Å; Y80-L87 HydrophobicContact CE1-CD2 4.42Å; Y80-L87 HydrophobicContact CE2-CD2 4.16Å; K83-L87 HydrophobicContact CB-CD2 3.83Å; K83-L87 HydrophobicContact CD-CB 4.43Å; K83-L87 HydrophobicContact CD-CD2 3.83Å; K83-L87 HydrophobicContact CG-CD2 4.45Å; S84-L87 WeakPolarHBondContact O-CB 3.36Å; S84-L87 PolarHBondContact O-N 2.84Å; S84-L87 PolarHBondContact OG-N 3.07Å; L87-K89 VanDerWaalsContact C-N 3.3Å; L87-K89 PolarHBondContact O-N 2.74Å; L87-I90 PolarHBondContact O-N 3.34Å; L87-A91 VanDerWaalsContact O-CB 3.31Å; L87-A91 WeakPolarHBondContact O-CB 3.43Å; L87-A91 PolarHBondContact O-N 3.46Å; L87-L103 HydrophobicContact CD1-CD1 4.45Å; L87-L103 HydrophobicContact CD1-CD2 4.42Å; L87-L103 HydrophobicContact CD2-CD1 4.1Å; L87-L103 HydrophobicContact CD2-CD2 4.2Å; L87-L103 HydrophobicContact CG-CD1 3.84Å; L87-L103 HydrophobicContact CG-CD2 4.4Å; L87-F105 HydrophobicContact CD1-CD2 3.72Å; L87-F105 HydrophobicContact CD1-CE2 3.79Å; L87-F109 HydrophobicContact CD1-CE2 3.63Å; L87-F109 HydrophobicContact CD1-CZ 4.03Å
88	E	96.9	Very high	95.7	Very high	56 Å²	56	68.6 Å²	68.6	26%	0.262	38%	0.379	S	S	.	.	H	α-helix	trans	-62.6	-37	-178	-76	75.3	-167.7	0	0	112.6	K83 N86 A91 A92 W97 L103	K83-E88 IonicContact NZ-OE1 2.56Å; K83-E88 PolarHBondContact NZ-OE1 3.31Å; K83-E88 IonicContact NZ-OE2 3.12Å; K83-E88 PolarHBondContact NZ-OE2 3.38Å; K83-E88 VanDerWaalsContact NZ-OE2 3.12Å; N86-E88 PolarHBondContact O-N 3.29Å; E88-A91 PolarHBondContact O-N 3.14Å; E88-A92 WeakPolarHBondContact O-CB 3.02Å; E88-A92 PolarHBondContact O-N 3.03Å; E88-W97 HydrophobicContact CB-CH2 3.73Å; E88-W97 HydrophobicContact CB-CZ3 3.83Å; E88-W97 HydrophobicContact CG-CH2 3.54Å; E88-W97 HydrophobicContact CG-CZ2 4.14Å; E88-W97 HydrophobicContact CG-CZ3 4.12Å; E88-W97 VanDerWaalsContact O-CZ3 3.29Å; E88-W97 WeakPolarHBondContact O-CZ3 3.44Å; E88-L103 HydrophobicContact CG-CD1 4.13Å
89	K	95.6	Very high	95.6	Very high	142 Å²	142	72.4 Å²	72.4	62%	0.617	39%	0.393	S	S	*	.	H	α-helix	trans	-62.4	-48.8	178.4	178.2	-175.2	173.7	-173.8	0	110.8	N86 L87 A92 Q93	N86-K89 WeakPolarHBondContact O-CB 3.34Å; N86-K89 PolarHBondContact O-N 3.06Å; N86-K89 VanDerWaalsContact O-N 3.16Å; L87-K89 VanDerWaalsContact C-N 3.3Å; L87-K89 PolarHBondContact O-N 2.74Å; K89-A92 PolarHBondContact O-N 3.05Å; K89-Q93 VanDerWaalsContact O-CG 3.29Å; K89-Q93 WeakPolarHBondContact O-CG 3.38Å; K89-Q93 PolarHBondContact O-N 3.3Å
90	I	95.5	Very high	95.4	Very high	45 Å²	45	70.9 Å²	70.9	23%	0.231	40%	0.402	C	S	.	.	H	α-helix	trans	-68.4	-39.8	179.2	-58.4	-56.7	0	0	0	110.4	V58 N86 L87 A92 Q93 S94 F109	V58-I90 HydrophobicContact CG1-CB 3.77Å; V58-I90 HydrophobicContact CG1-CG1 3.64Å; V58-I90 HydrophobicContact CG1-CG2 4.11Å; N86-I90 HydrophobicContact CB-CG1 4.33Å; N86-I90 WeakPolarHBondContact O-CG1 3.35Å; N86-I90 PolarHBondContact O-N 2.98Å; L87-I90 PolarHBondContact O-N 3.34Å; I90-A92 VanDerWaalsContact C-N 3.34Å; I90-A92 PolarHBondContact O-N 3.44Å; I90-Q93 WeakPolarHBondContact O-CB 3.22Å; I90-Q93 PolarHBondContact O-N 3.17Å; I90-S94 PolarHBondContact O-N 2.95Å; I90-F109 HydrophobicContact CG2-CE1 3.9Å; I90-F109 HydrophobicContact CG2-CZ 4.27Å
91	A	96.6	Very high	95.2	Very high	0 Å²	0	75.2 Å²	75.2	0%	0	42%	0.423	C	S	.	.	H	α-helix	trans	-63	-37.8	176.6	0	0	0	0	0	112.8	L87 E88 Q93 S94 W97 L103 V108 F109	L87-A91 VanDerWaalsContact O-CB 3.31Å; L87-A91 WeakPolarHBondContact O-CB 3.43Å; L87-A91 PolarHBondContact O-N 3.46Å; E88-A91 PolarHBondContact O-N 3.14Å; A91-Q93 VanDerWaalsContact C-N 3.32Å; A91-S94 PolarHBondContact O-N 3.38Å; A91-S94 PolarHBondContact O-OG 3.26Å; A91-W97 HydrophobicContact CB-CB 4.16Å; A91-W97 HydrophobicContact CB-CD2 4.16Å; A91-W97 HydrophobicContact CB-CE3 3.8Å; A91-W97 HydrophobicContact CB-CG 4.35Å; A91-L103 HydrophobicContact CB-CD1 3.5Å; A91-L103 HydrophobicContact CB-CG 4.17Å; A91-V108 HydrophobicContact CB-CG1 4.02Å; A91-F109 HydrophobicContact CB-CE2 4.18Å; A91-F109 HydrophobicContact CB-CZ 3.96Å
92	A	95.7	Very high	95.1	Very high	51 Å²	51	74.9 Å²	74.9	42%	0.421	42%	0.423	S	S	.	.	H	α-helix	trans	-67.4	-34.7	175.5	0	0	0	0	0	111.9	E88 K89 I90 S94 G95 W97	E88-A92 WeakPolarHBondContact O-CB 3.02Å; E88-A92 PolarHBondContact O-N 3.03Å; K89-A92 PolarHBondContact O-N 3.05Å; I90-A92 VanDerWaalsContact C-N 3.34Å; I90-A92 PolarHBondContact O-N 3.44Å; A92-S94 VanDerWaalsContact C-N 3.29Å; A92-S94 PolarHBondContact O-N 3.03Å; A92-G95 PolarHBondContact O-N 2.81Å; A92-W97 HydrophobicContact CB-CE3 4.07Å; A92-W97 HydrophobicContact CB-CZ3 4.06Å
93	Q	94.9	Very high	95.1	Very high	130 Å²	130	73.8 Å²	73.8	61%	0.607	42%	0.417	S	S	*	.	H	α-helix	trans	-68.6	-25	177.9	-72.1	172.2	-15	0	0	113.3	K89 I90 A91 G95	K89-Q93 VanDerWaalsContact O-CG 3.29Å; K89-Q93 WeakPolarHBondContact O-CG 3.38Å; K89-Q93 PolarHBondContact O-N 3.3Å; I90-Q93 WeakPolarHBondContact O-CB 3.22Å; I90-Q93 PolarHBondContact O-N 3.17Å; A91-Q93 VanDerWaalsContact C-N 3.32Å; Q93-G95 PolarHBondContact O-N 2.92Å
94	S	90.8	Very high	95	Very high	53 Å²	53	70.3 Å²	70.3	37%	0.371	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-18.7	176.6	77.6	0	0	0	0	113.3	I90 A91 A92 L96	I90-S94 PolarHBondContact O-N 2.95Å; A91-S94 PolarHBondContact O-N 3.38Å; A91-S94 PolarHBondContact O-OG 3.26Å; A92-S94 VanDerWaalsContact C-N 3.29Å; A92-S94 PolarHBondContact O-N 3.03Å; S94-L96 PolarHBondContact O-N 2.9Å; S94-L96 WeakPolarHBondContact OG-CB 3.48Å; S94-L96 PolarHBondContact OG-N 2.61Å; S94-L96 VanDerWaalsContact OG-N 3.16Å
95	G	92.6	Very high	95	Very high	63 Å²	63	70.3 Å²	70.3	65%	0.649	41%	0.405	S	S	*	.	S	Bend	trans	71.9	-2.9	-172.8	0	0	0	0	0	114.6	A92 Q93	A92-G95 PolarHBondContact O-N 2.81Å; Q93-G95 PolarHBondContact O-N 2.92Å
96	L	92.1	Very high	94.9	Very high	124 Å²	124	69.6 Å²	69.6	65%	0.649	38%	0.384	S	S	*	.	S	Bend	trans	-87.3	-15.2	179.1	-60.8	176.7	0	0	0	113	S94 V108	S94-L96 PolarHBondContact O-N 2.9Å; S94-L96 WeakPolarHBondContact OG-CB 3.48Å; S94-L96 PolarHBondContact OG-N 2.61Å; S94-L96 VanDerWaalsContact OG-N 3.16Å; L96-V108 HydrophobicContact CB-CG1 4.48Å; L96-V108 WeakPolarHBondContact CD1-O 3.36Å
97	W	96.1	Very high	94.9	Very high	30 Å²	30	71.6 Å²	71.6	11%	0.114	39%	0.394	C	S	.	.			trans	-126.3	144.8	177.7	177	76.2	0	0	0	111.1	E88 A91 A92 E99 Q101 L103 V108	E88-W97 HydrophobicContact CB-CH2 3.73Å; E88-W97 HydrophobicContact CB-CZ3 3.83Å; E88-W97 HydrophobicContact CG-CH2 3.54Å; E88-W97 HydrophobicContact CG-CZ2 4.14Å; E88-W97 HydrophobicContact CG-CZ3 4.12Å; E88-W97 VanDerWaalsContact O-CZ3 3.29Å; E88-W97 WeakPolarHBondContact O-CZ3 3.44Å; A91-W97 HydrophobicContact CB-CB 4.16Å; A91-W97 HydrophobicContact CB-CD2 4.16Å; A91-W97 HydrophobicContact CB-CE3 3.8Å; A91-W97 HydrophobicContact CB-CG 4.35Å; A92-W97 HydrophobicContact CB-CE3 4.07Å; A92-W97 HydrophobicContact CB-CZ3 4.06Å; W97-E99 HydrophobicContact CH2-CB 4.35Å; W97-E99 HydrophobicContact CH2-CG 4.45Å; W97-Q101 PolarHBondContact NE1-O 2.76Å; W97-L103 HydrophobicContact CD2-CB 4.4Å; W97-L103 HydrophobicContact CD2-CD1 4.07Å; W97-L103 HydrophobicContact CD2-CG 4.17Å; W97-L103 HydrophobicContact CE3-CD1 4.38Å; W97-L103 HydrophobicContact CG-CB 4.44Å; W97-L103 HydrophobicContact CG-CD1 4.46Å; W97-L103 HydrophobicContact CG-CG 4.11Å; W97-L103 HydrophobicContact CZ2-CB 4.25Å; W97-L103 HydrophobicContact CZ2-CD1 4.31Å; W97-V108 HydrophobicContact CB-CG2 3.83Å
98	K	94	Very high	94.8	Very high	163 Å²	163	72.2 Å²	72.2	71%	0.709	40%	0.398	S	S	*	.			trans	-116.6	135.8	177.1	-65.9	-177.7	-178.3	178.3	0	109.6	Q101	K98-Q101 WeakPolarHBondContact O-CB 3.08Å; K98-Q101 PolarHBondContact O-N 2.91Å
99	E	93.5	Very high	94.6	Very high	177 Å²	177	71.5 Å²	71.5	83%	0.827	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	140.8	176.5	-168.3	173	-177.2	0	0	111.5	W97 Q101	W97-E99 HydrophobicContact CH2-CB 4.35Å; W97-E99 HydrophobicContact CH2-CG 4.45Å; E99-Q101 VanDerWaalsContact C-N 3.34Å
100	G	91.9	Very high	94.4	Very high	70 Å²	70	65.7 Å²	65.7	72%	0.722	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.2	-8	-176.6	0	0	0	0	0	115.3
101	Q	93.5	Very high	93.8	Very high	126 Å²	126	69 Å²	69	59%	0.589	41%	0.406	S	S	*	.	S	Bend	trans	-96.2	150.3	171.4	-60	-57.2	-47	0	0	111.4	W97 K98 E99 L103	W97-Q101 PolarHBondContact NE1-O 2.76Å; K98-Q101 WeakPolarHBondContact O-CB 3.08Å; K98-Q101 PolarHBondContact O-N 2.91Å; E99-Q101 VanDerWaalsContact C-N 3.34Å; Q101-L103 PolarHBondContact O-N 2.88Å
102	P	96.3	Very high	93	Very high	91 Å²	91	73 Å²	73	59%	0.591	43%	0.427	S	S	*	.	P	Polyproline II helix	trans	-55.2	124.4	169.8	-23.3	33.6	0	0	0	110.8	N78	N78-P102 HydrophobicContact CB-CB 4.26Å
103	L	97.6	Very high	92	Very high	6 Å²	6	74 Å²	74	3%	0.031	43%	0.43	C	S	.	.	P	Polyproline II helix	trans	-85.1	118.2	179.7	-171.1	169.6	0	0	0	109	N78 Y80 L87 E88 A91 W97 Q101	N78-L103 VanDerWaalsContact CA-O 3.26Å; N78-L103 WeakPolarHBondContact CA-O 3.44Å; N78-L103 WeakPolarHBondContact CB-O 3.39Å; Y80-L103 HydrophobicContact CE1-CD2 4.41Å; Y80-L103 WeakPolarHBondContact CE1-O 3.22Å; Y80-L103 WeakPolarHBondContact OH-CB 3.45Å; Y80-L103 PolarHBondContact OH-O 3.14Å; L87-L103 HydrophobicContact CD1-CD1 4.45Å; L87-L103 HydrophobicContact CD1-CD2 4.42Å; L87-L103 HydrophobicContact CD2-CD1 4.1Å; L87-L103 HydrophobicContact CD2-CD2 4.2Å; L87-L103 HydrophobicContact CG-CD1 3.84Å; L87-L103 HydrophobicContact CG-CD2 4.4Å; E88-L103 HydrophobicContact CG-CD1 4.13Å; A91-L103 HydrophobicContact CB-CD1 3.5Å; A91-L103 HydrophobicContact CB-CG 4.17Å; W97-L103 HydrophobicContact CD2-CB 4.4Å; W97-L103 HydrophobicContact CD2-CD1 4.07Å; W97-L103 HydrophobicContact CD2-CG 4.17Å; W97-L103 HydrophobicContact CE3-CD1 4.38Å; W97-L103 HydrophobicContact CG-CB 4.44Å; W97-L103 HydrophobicContact CG-CD1 4.46Å; W97-L103 HydrophobicContact CG-CG 4.11Å; W97-L103 HydrophobicContact CZ2-CB 4.25Å; W97-L103 HydrophobicContact CZ2-CD1 4.31Å; Q101-L103 PolarHBondContact O-N 2.88Å
104	S	96.7	Very high	91.1	Very high	18 Å²	18	72.9 Å²	72.9	13%	0.126	44%	0.436	C	S	.	.			trans	-97.3	111.4	173.4	178.8	0	0	0	0	109.6	G77 K106 D107 V108	G77-S104 WeakPolarHBondContact CA-OG 3.42Å; S104-K106 PolarHBondContact O-N 3.01Å; S104-D107 WeakPolarHBondContact CB-OD2 3.44Å; S104-D107 PolarHBondContact O-N 2.89Å; S104-D107 PolarHBondContact OG-OD2 3.2Å; S104-V108 WeakPolarHBondContact O-CG2 3.12Å; S104-V108 PolarHBondContact O-N 2.81Å; S104-V108 VanDerWaalsContact O-N 3.14Å
105	F	96.9	Very high	90.3	Very high	0 Å²	0	71.2 Å²	71.2	0%	0	43%	0.427	C	S	.	.	H	α-helix	trans	-60.9	-48.9	-172.3	-171.8	-100.5	0	0	0	111.7	E53 A55 V58 V60 L74 I76 G77 Y80 L87 D107 V108 F109	E53-F105 HydrophobicContact CB-CD1 4.17Å; E53-F105 HydrophobicContact CB-CE1 3.92Å; A55-F105 HydrophobicContact CB-CZ 3.9Å; V58-F105 HydrophobicContact CB-CE2 4.46Å; V58-F105 HydrophobicContact CG2-CE2 3.85Å; V58-F105 HydrophobicContact CG2-CZ 4.25Å; V60-F105 HydrophobicContact CB-CD2 4.2Å; V60-F105 HydrophobicContact CB-CG 4.26Å; V60-F105 HydrophobicContact CG1-CB 4.16Å; V60-F105 HydrophobicContact CG1-CD2 3.48Å; V60-F105 VanDerWaalsContact CG1-CD2 3.48Å; V60-F105 HydrophobicContact CG1-CE2 4.03Å; V60-F105 HydrophobicContact CG1-CG 3.93Å; V60-F105 HydrophobicContact CG2-CB 3.64Å; V60-F105 HydrophobicContact CG2-CD1 3.49Å; V60-F105 VanDerWaalsContact CG2-CD1 3.49Å; V60-F105 HydrophobicContact CG2-CD2 3.7Å; V60-F105 HydrophobicContact CG2-CE1 4.01Å; V60-F105 HydrophobicContact CG2-CE2 4.2Å; V60-F105 HydrophobicContact CG2-CG 3.32Å; V60-F105 HydrophobicContact CG2-CZ 4.34Å; L74-F105 HydrophobicContact CD1-CD1 3.89Å; L74-F105 HydrophobicContact CD1-CE1 3.75Å; L74-F105 HydrophobicContact CD2-CE1 4.12Å; I76-F105 WeakPolarHBondContact O-CB 3.36Å; G77-F105 PolarHBondContact O-N 2.6Å; Y80-F105 HydrophobicContact CD1-CB 4.5Å; Y80-F105 HydrophobicContact CE1-CB 4.45Å; L87-F105 HydrophobicContact CD1-CD2 3.72Å; L87-F105 HydrophobicContact CD1-CE2 3.79Å; F105-D107 VanDerWaalsContact C-N 3.28Å; F105-D107 PolarHBondContact O-N 3.44Å; F105-V108 PolarHBondContact O-N 2.59Å; F105-F109 AromaticContact CD2-CD2 3.46Å; F105-F109 HydrophobicContact CD2-CD2 3.46Å; F105-F109 VanDerWaalsContact CD2-CD2 3.46Å; F105-F109 AromaticContact CD2-CE2 3.84Å; F105-F109 HydrophobicContact CD2-CE2 3.84Å; F105-F109 HydrophobicContact CD2-CG 4.37Å; F105-F109 HydrophobicContact CE1-CB 4.45Å; F105-F109 AromaticContact CE2-CD2 3.56Å; F105-F109 HydrophobicContact CE2-CD2 3.56Å; F105-F109 AromaticContact CE2-CE2 3.92Å; F105-F109 HydrophobicContact CE2-CE2 3.92Å; F105-F109 HydrophobicContact CE2-CG 4.12Å; F105-F109 HydrophobicContact CG-CD2 4.03Å; F105-F109 HydrophobicContact CZ-CB 4.39Å; F105-F109 HydrophobicContact CZ-CD2 4.19Å; F105-F109 HydrophobicContact CZ-CG 4.35Å; F105-F109 WeakPolarHBondContact O-CB 3.19Å; F105-F109 WeakPolarHBondContact O-CD2 3.35Å; F105-F109 PolarHBondContact O-N 3.04Å
106	K	94.4	Very high	89.7	Confident	79 Å²	79	76.5 Å²	76.5	34%	0.343	43%	0.432	S	S	.	.	H	α-helix	trans	-59	-36.1	176.7	70.5	178.2	-170.7	168.5	0	113.1	L74 I76 S104 S110	L74-K106 HydrophobicContact CB-CB 3.77Å; I76-K106 WeakPolarHBondContact O-CB 3.45Å; I76-K106 WeakPolarHBondContact O-CG 3.09Å; I76-K106 PolarHBondContact O-N 2.94Å; S104-K106 PolarHBondContact O-N 3.01Å; K106-S110 WeakPolarHBondContact O-CB 3.44Å; K106-S110 PolarHBondContact O-N 2.65Å; K106-S110 VanDerWaalsContact O-N 3.12Å; K106-S110 PolarHBondContact O-OG 3.01Å
107	D	93.7	Very high	89.5	Confident	79 Å²	79	71.4 Å²	71.4	42%	0.422	41%	0.405	S	S	.	.	H	α-helix	trans	-77.8	-29.5	-174.9	-61.1	-32.7	0	0	0	111.3	S104 F105	S104-D107 WeakPolarHBondContact CB-OD2 3.44Å; S104-D107 PolarHBondContact O-N 2.89Å; S104-D107 PolarHBondContact OG-OD2 3.2Å; F105-D107 VanDerWaalsContact C-N 3.28Å; F105-D107 PolarHBondContact O-N 3.44Å
108	V	95	Very high	89.2	Confident	14 Å²	14	74.3 Å²	74.3	9%	0.085	43%	0.428	C	S	.	.	H	α-helix	trans	-85.7	-37.8	180	178	0	0	0	0	112.1	A91 L96 W97 S104 F105	A91-V108 HydrophobicContact CB-CG1 4.02Å; L96-V108 HydrophobicContact CB-CG1 4.48Å; L96-V108 WeakPolarHBondContact CD1-O 3.36Å; W97-V108 HydrophobicContact CB-CG2 3.83Å; S104-V108 WeakPolarHBondContact O-CG2 3.12Å; S104-V108 PolarHBondContact O-N 2.81Å; S104-V108 VanDerWaalsContact O-N 3.14Å; F105-V108 PolarHBondContact O-N 2.59Å
109	F	94.1	Very high	89.1	Confident	41 Å²	41	69.9 Å²	69.9	18%	0.18	41%	0.407	C	S	.	.	H	α-helix	trans	-112.2	-5.5	-167.5	-64.4	-77.2	0	0	0	114.9	A55 V58 L74 L87 I90 A91 F105	A55-F109 HydrophobicContact CB-CB 3.73Å; A55-F109 HydrophobicContact CB-CD1 3.85Å; A55-F109 HydrophobicContact CB-CG 3.96Å; V58-F109 HydrophobicContact CG2-CD1 4.05Å; V58-F109 HydrophobicContact CG2-CE1 3.66Å; V58-F109 HydrophobicContact CG2-CE2 4.26Å; V58-F109 HydrophobicContact CG2-CZ 3.78Å; L74-F109 HydrophobicContact CD1-CB 3.78Å; L87-F109 HydrophobicContact CD1-CE2 3.63Å; L87-F109 HydrophobicContact CD1-CZ 4.03Å; I90-F109 HydrophobicContact CG2-CE1 3.9Å; I90-F109 HydrophobicContact CG2-CZ 4.27Å; A91-F109 HydrophobicContact CB-CE2 4.18Å; A91-F109 HydrophobicContact CB-CZ 3.96Å; F105-F109 AromaticContact CD2-CD2 3.46Å; F105-F109 HydrophobicContact CD2-CD2 3.46Å; F105-F109 VanDerWaalsContact CD2-CD2 3.46Å; F105-F109 AromaticContact CD2-CE2 3.84Å; F105-F109 HydrophobicContact CD2-CE2 3.84Å; F105-F109 HydrophobicContact CD2-CG 4.37Å; F105-F109 HydrophobicContact CE1-CB 4.45Å; F105-F109 AromaticContact CE2-CD2 3.56Å; F105-F109 HydrophobicContact CE2-CD2 3.56Å; F105-F109 AromaticContact CE2-CE2 3.92Å; F105-F109 HydrophobicContact CE2-CE2 3.92Å; F105-F109 HydrophobicContact CE2-CG 4.12Å; F105-F109 HydrophobicContact CG-CD2 4.03Å; F105-F109 HydrophobicContact CZ-CB 4.39Å; F105-F109 HydrophobicContact CZ-CD2 4.19Å; F105-F109 HydrophobicContact CZ-CG 4.35Å; F105-F109 WeakPolarHBondContact O-CB 3.19Å; F105-F109 WeakPolarHBondContact O-CD2 3.35Å; F105-F109 PolarHBondContact O-N 3.04Å
110	S	90.7	Very high	89	Confident	19 Å²	19	62.9 Å²	62.9	13%	0.133	37%	0.374	C	S	.	.			trans	-74.4	136.8	174.2	-63.1	0	0	0	0	110.7	L74 K106 N112	L74-S110 WeakPolarHBondContact CB-OG 3.34Å; K106-S110 WeakPolarHBondContact O-CB 3.44Å; K106-S110 PolarHBondContact O-N 2.65Å; K106-S110 VanDerWaalsContact O-N 3.12Å; K106-S110 PolarHBondContact O-OG 3.01Å; S110-N112 PolarHBondContact O-N 3.2Å
111	A	83.3	Confident	89.1	Confident	115 Å²	115	62.7 Å²	62.7	95%	0.95	36%	0.356	S	S	*	.	S	Bend	trans	-61.3	-30.1	168.1	0	0	0	0	0	112.1
112	N	80.1	Confident	89.2	Confident	83 Å²	83	60.7 Å²	60.7	44%	0.444	35%	0.345	S	S	.	.	S	Bend	trans	-136.5	80.4	177.2	-169.8	3.6	0	0	0	110.8	S110 S114 G115	S110-N112 PolarHBondContact O-N 3.2Å; N112-S114 PolarHBondContact O-N 3.36Å; N112-G115 WeakPolarHBondContact ND2-CA 3.3Å; N112-G115 WeakPolarHBondContact O-CA 3.2Å; N112-G115 PolarHBondContact O-N 2.79Å; N112-G115 WeakPolarHBondContact OD1-CA 3.42Å; N112-G115 PolarHBondContact OD1-N 2.84Å
113	P	74.3	Confident	89.1	Confident	74 Å²	74	56.4 Å²	56.4	48%	0.481	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-26	-173.8	25.4	-33.3	0	0	0	113.4
114	S	76	Confident	89	Confident	106 Å²	106	61.3 Å²	61.3	74%	0.741	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	-0.6	172.2	59.3	0	0	0	0	113.3	N112 K116	N112-S114 PolarHBondContact O-N 3.36Å; S114-K116 PolarHBondContact O-N 2.77Å
115	G	73.4	Confident	88.9	Confident	17 Å²	17	65.3 Å²	65.3	18%	0.175	35%	0.352	C	S	.	.			trans	-64.6	118.7	-177.2	0	0	0	0	0	111.5	N73 N112 D117	N73-G115 PolarHBondContact ND2-O 3.28Å; N112-G115 WeakPolarHBondContact ND2-CA 3.3Å; N112-G115 WeakPolarHBondContact O-CA 3.2Å; N112-G115 PolarHBondContact O-N 2.79Å; N112-G115 WeakPolarHBondContact OD1-CA 3.42Å; N112-G115 PolarHBondContact OD1-N 2.84Å; G115-D117 PolarHBondContact O-N 3.42Å
116	K	80.4	Confident	88.9	Confident	175 Å²	175	67.6 Å²	67.6	76%	0.761	36%	0.364	S	S	*	.			trans	-82.3	106.8	168.4	-67.9	-176.1	-177	179.4	0	107.8	S114 P118 I121	S114-K116 PolarHBondContact O-N 2.77Å; K116-P118 VanDerWaalsContact O-CD 3.26Å; K116-P118 WeakPolarHBondContact O-CD 3.43Å; K116-I121 HydrophobicContact CB-CD1 3.62Å; K116-I121 HydrophobicContact CD-CD1 4.23Å; K116-I121 HydrophobicContact CG-CD1 3.91Å
117	D	88.3	Confident	89	Confident	17 Å²	17	64.3 Å²	64.3	9%	0.091	35%	0.35	C	S	.	.			trans	-79.7	111.6	164.4	177.7	-15.1	0	0	0	107.9	S71 N72 N73 G115 R119 Q120 I121	S71-D117 WeakPolarHBondContact CB-OD2 3.47Å; S71-D117 VanDerWaalsContact OG-CG 3.31Å; S71-D117 PolarHBondContact OG-OD2 3.28Å; N72-D117 PolarHBondContact N-OD2 3.47Å; N73-D117 HydrophobicContact CB-CB 4.47Å; G115-D117 PolarHBondContact O-N 3.42Å; D117-R119 PolarHBondContact O-N 3.48Å; D117-R119 WeakPolarHBondContact OD1-CB 3.35Å; D117-R119 PolarHBondContact OD1-N 3.26Å; D117-Q120 HydrophobicContact CB-CB 3.75Å; D117-Q120 VanDerWaalsContact O-CB 3.31Å; D117-Q120 WeakPolarHBondContact O-CB 3.43Å; D117-Q120 PolarHBondContact O-N 3.47Å; D117-Q120 VanDerWaalsContact O-N 3.15Å; D117-Q120 PolarHBondContact OD1-N 2.53Å; D117-I121 WeakPolarHBondContact O-CG1 3.26Å; D117-I121 PolarHBondContact O-N 2.77Å
118	P	88.8	Confident	89	Confident	90 Å²	90	66 Å²	66	58%	0.584	36%	0.356	S	S	*	.	H	α-helix	trans	-57.7	-37	-177.6	-24.2	35.8	0	0	0	112.8	K116 I121 K122	K116-P118 VanDerWaalsContact O-CD 3.26Å; K116-P118 WeakPolarHBondContact O-CD 3.43Å; P118-I121 PolarHBondContact O-N 2.77Å; P118-K122 VanDerWaalsContact O-CB 3.27Å; P118-K122 WeakPolarHBondContact O-CB 3.42Å; P118-K122 VanDerWaalsContact O-CG 3.27Å; P118-K122 WeakPolarHBondContact O-CG 3.43Å; P118-K122 PolarHBondContact O-N 2.95Å
119	R	91.4	Very high	88.9	Confident	71 Å²	71	68.1 Å²	68.1	27%	0.268	37%	0.374	S	S	.	.	H	α-helix	trans	-69	-38.7	180	-59.9	-175	-62.5	-174.6	2.5	111.1	N69 N72 D117 G123 G151 M154	N69-R119 PolarHBondContact ND2-O 2.93Å; N72-R119 PolarHBondContact OD1-NH2 2.9Å; D117-R119 PolarHBondContact O-N 3.48Å; D117-R119 WeakPolarHBondContact OD1-CB 3.35Å; D117-R119 PolarHBondContact OD1-N 3.26Å; R119-G123 PolarHBondContact O-N 3.3Å; R119-G151 WeakPolarHBondContact CD-O 3.32Å; R119-G151 WeakPolarHBondContact CG-O 3.24Å; R119-M154 PolarHBondContact NH1-SD 3.5Å
120	Q	92.2	Very high	88.8	Confident	30 Å²	30	68.3 Å²	68.3	14%	0.14	38%	0.377	C	S	.	.	H	α-helix	trans	-60.2	-47.8	174.3	-158.2	-168.2	-5	0	0	111.6	N69 S71 D117 R124	N69-Q120 WeakPolarHBondContact ND2-CA 2.94Å; N69-Q120 PolarHBondContact ND2-O 3.5Å; S71-Q120 WeakPolarHBondContact OG-CB 3.4Å; S71-Q120 WeakPolarHBondContact OG-CG 3.15Å; D117-Q120 HydrophobicContact CB-CB 3.75Å; D117-Q120 VanDerWaalsContact O-CB 3.31Å; D117-Q120 WeakPolarHBondContact O-CB 3.43Å; D117-Q120 PolarHBondContact O-N 3.47Å; D117-Q120 VanDerWaalsContact O-N 3.15Å; D117-Q120 PolarHBondContact OD1-N 2.53Å; Q120-R124 WeakPolarHBondContact O-CB 3.41Å; Q120-R124 PolarHBondContact O-N 2.71Å; Q120-R124 VanDerWaalsContact O-N 3.14Å
121	I	93.4	Very high	88.8	Confident	65 Å²	65	68.9 Å²	68.9	33%	0.333	38%	0.381	S	S	.	.	H	α-helix	trans	-68.4	-50.6	-176.4	-67.4	168.2	0	0	0	109.8	K116 D117 P118 R124 Q125	K116-I121 HydrophobicContact CB-CD1 3.62Å; K116-I121 HydrophobicContact CD-CD1 4.23Å; K116-I121 HydrophobicContact CG-CD1 3.91Å; D117-I121 WeakPolarHBondContact O-CG1 3.26Å; D117-I121 PolarHBondContact O-N 2.77Å; P118-I121 PolarHBondContact O-N 2.77Å; I121-R124 PolarHBondContact O-N 3.05Å; I121-Q125 WeakPolarHBondContact O-CG 3.37Å; I121-Q125 PolarHBondContact O-N 2.9Å
122	K	95.4	Very high	88.9	Confident	85 Å²	85	70.8 Å²	70.8	37%	0.37	37%	0.37	S	S	.	.	H	α-helix	trans	-66.1	-42.4	-178	-71.2	-72.3	-172.7	172.2	0	112	P118 R124 Q125 L126 S150	P118-K122 VanDerWaalsContact O-CB 3.27Å; P118-K122 WeakPolarHBondContact O-CB 3.42Å; P118-K122 VanDerWaalsContact O-CG 3.27Å; P118-K122 WeakPolarHBondContact O-CG 3.43Å; P118-K122 PolarHBondContact O-N 2.95Å; K122-R124 VanDerWaalsContact C-N 3.31Å; K122-R124 PolarHBondContact O-N 3.33Å; K122-Q125 WeakPolarHBondContact O-CB 3.31Å; K122-Q125 PolarHBondContact O-N 2.95Å; K122-Q125 VanDerWaalsContact O-N 3.15Å; K122-L126 WeakPolarHBondContact O-CG 3.35Å; K122-L126 PolarHBondContact O-N 2.84Å; K122-S150 VanDerWaalsContact CB-CB 3.46Å
123	G	95.7	Very high	89.3	Confident	0 Å²	0	69.9 Å²	69.9	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-63.1	-36.4	175.7	0	0	0	0	0	113.3	N69 R119 L126 L127	N69-G123 WeakPolarHBondContact ND2-CA 3.36Å; R119-G123 PolarHBondContact O-N 3.3Å; G123-L126 PolarHBondContact O-N 3.09Å; G123-L127 WeakPolarHBondContact O-CG 3.39Å; G123-L127 PolarHBondContact O-N 3.15Å
124	R	95	Very high	89.7	Confident	110 Å²	110	75.9 Å²	75.9	42%	0.415	38%	0.384	S	S	.	.	H	α-helix	trans	-63.6	-45.2	172	177.1	175.1	-79.2	-88.6	0.3	111.5	F67 N69 Q120 I121 K122 L126 L127 E128	F67-R124 HydrophobicContact CE2-CG 4.19Å; N69-R124 HydrophobicContact CB-CB 4.26Å; N69-R124 PolarHBondContact ND2-N 2.81Å; Q120-R124 WeakPolarHBondContact O-CB 3.41Å; Q120-R124 PolarHBondContact O-N 2.71Å; Q120-R124 VanDerWaalsContact O-N 3.14Å; I121-R124 PolarHBondContact O-N 3.05Å; K122-R124 VanDerWaalsContact C-N 3.31Å; K122-R124 PolarHBondContact O-N 3.33Å; R124-L126 PolarHBondContact O-N 3.29Å; R124-L127 PolarHBondContact O-N 3.06Å; R124-E128 WeakPolarHBondContact O-CB 3.45Å; R124-E128 PolarHBondContact O-N 3.16Å
125	Q	95.7	Very high	90.3	Very high	101 Å²	101	77.9 Å²	77.9	47%	0.472	38%	0.379	S	S	.	.	H	α-helix	trans	-61.3	-42.9	178.4	-72.5	174.2	-13.8	0	0	112.2	I121 K122 E128 A129	I121-Q125 WeakPolarHBondContact O-CG 3.37Å; I121-Q125 PolarHBondContact O-N 2.9Å; K122-Q125 WeakPolarHBondContact O-CB 3.31Å; K122-Q125 PolarHBondContact O-N 2.95Å; K122-Q125 VanDerWaalsContact O-N 3.15Å; Q125-E128 PolarHBondContact O-N 3.26Å; Q125-A129 WeakPolarHBondContact O-CB 3.31Å; Q125-A129 PolarHBondContact O-N 3.37Å
126	L	96.2	Very high	91.2	Very high	48 Å²	48	80.4 Å²	80.4	25%	0.251	39%	0.385	S	S	.	.	H	α-helix	trans	-64.1	-45.9	176.8	-70.4	172.7	0	0	0	111.8	K122 G123 R124 E128 A129 D130 I144 D147 I152	K122-L126 WeakPolarHBondContact O-CG 3.35Å; K122-L126 PolarHBondContact O-N 2.84Å; G123-L126 PolarHBondContact O-N 3.09Å; R124-L126 PolarHBondContact O-N 3.29Å; L126-E128 VanDerWaalsContact C-N 3.34Å; L126-E128 PolarHBondContact O-N 3.38Å; L126-A129 PolarHBondContact O-N 3.14Å; L126-D130 WeakPolarHBondContact O-CB 3.37Å; L126-D130 PolarHBondContact O-N 2.8Å; L126-I144 HydrophobicContact CB-CD1 4.05Å; L126-I144 HydrophobicContact CB-CG1 3.99Å; L126-I144 HydrophobicContact CB-CG2 4.39Å; L126-I144 HydrophobicContact CD1-CG2 4.15Å; L126-D147 HydrophobicContact CD1-CB 4.08Å; L126-I152 HydrophobicContact CD1-CD1 4.21Å
127	L	95.7	Very high	91.9	Very high	10 Å²	10	74.3 Å²	74.3	5%	0.052	37%	0.365	C	S	.	.	H	α-helix	trans	-61.9	-42.6	175.9	-72.8	170.3	0	0	0	112	F67 A68 N69 G123 R124 D130 C131 F136 M141 I144	F67-L127 HydrophobicContact CB-CB 4.43Å; F67-L127 HydrophobicContact CD2-CB 3.62Å; F67-L127 HydrophobicContact CD2-CD1 4.23Å; F67-L127 HydrophobicContact CE2-CB 4.13Å; F67-L127 HydrophobicContact CG-CB 4.15Å; A68-L127 WeakPolarHBondContact O-CD1 3.48Å; N69-L127 HydrophobicContact CB-CD1 3.91Å; G123-L127 WeakPolarHBondContact O-CG 3.39Å; G123-L127 PolarHBondContact O-N 3.15Å; R124-L127 PolarHBondContact O-N 3.06Å; L127-D130 PolarHBondContact O-N 2.93Å; L127-C131 WeakPolarHBondContact O-CB 3.47Å; L127-C131 PolarHBondContact O-N 3.36Å; L127-C131 PolarHBondContact O-SG 3.1Å; L127-F136 HydrophobicContact CD2-CE2 3.97Å; L127-F136 HydrophobicContact CD2-CZ 3.82Å; L127-M141 HydrophobicContact CD2-CE 3.9Å; L127-I144 HydrophobicContact CD2-CD1 3.61Å; L127-I144 HydrophobicContact CG-CD1 4.04Å
128	E	94.3	Very high	92.2	Very high	116 Å²	116	74.5 Å²	74.5	54%	0.542	37%	0.368	S	S	.	.	H	α-helix	trans	-62.8	-43.9	178.1	-172.6	166.7	-159.7	0	0	111.4	F67 R124 Q125 L126 C131 H132	F67-E128 HydrophobicContact CE1-CB 4.35Å; F67-E128 HydrophobicContact CE1-CG 4.49Å; F67-E128 HydrophobicContact CE2-CB 4.01Å; F67-E128 HydrophobicContact CZ-CB 3.56Å; F67-E128 HydrophobicContact CZ-CG 3.88Å; R124-E128 WeakPolarHBondContact O-CB 3.45Å; R124-E128 PolarHBondContact O-N 3.16Å; Q125-E128 PolarHBondContact O-N 3.26Å; L126-E128 VanDerWaalsContact C-N 3.34Å; L126-E128 PolarHBondContact O-N 3.38Å; E128-C131 PolarHBondContact O-N 3.34Å; E128-H132 PolarHBondContact O-N 3.35Å
129	A	93.8	Very high	92.6	Very high	58 Å²	58	76.5 Å²	76.5	48%	0.479	37%	0.372	S	S	.	.	H	α-helix	trans	-62.7	-40.8	175.6	0	0	0	0	0	112.2	Q125 L126 H132	Q125-A129 WeakPolarHBondContact O-CB 3.31Å; Q125-A129 PolarHBondContact O-N 3.37Å; L126-A129 PolarHBondContact O-N 3.14Å; A129-H132 PolarHBondContact O-ND1 3.01Å
130	D	91.7	Very high	92.8	Very high	44 Å²	44	76.2 Å²	76.2	24%	0.235	37%	0.373	C	S	.	.	H	α-helix	trans	-83.7	-17.6	-178.6	-73.7	-9.7	0	0	0	113.5	L126 L127 F136 H140	L126-D130 WeakPolarHBondContact O-CB 3.37Å; L126-D130 PolarHBondContact O-N 2.8Å; L127-D130 PolarHBondContact O-N 2.93Å; D130-F136 HydrophobicContact CB-CD2 3.68Å; D130-F136 HydrophobicContact CB-CE2 3.76Å; D130-H140 HydrophobicContact CB-CB 4.21Å; D130-H140 IonicContact OD2-CD2 3.9Å
131	C	89.8	Confident	93.1	Very high	32 Å²	32	77.5 Å²	77.5	22%	0.216	38%	0.38	C	S	.	.	H	α-helix	trans	-89.9	-12.2	179.6	-69.7	0	0	0	0	114.2	F67 L127 E128 D133 K134 F136	F67-C131 HydrophobicContact CD1-CB 4.09Å; F67-C131 HydrophobicContact CE1-CB 4.47Å; L127-C131 WeakPolarHBondContact O-CB 3.47Å; L127-C131 PolarHBondContact O-N 3.36Å; L127-C131 PolarHBondContact O-SG 3.1Å; E128-C131 PolarHBondContact O-N 3.34Å; C131-D133 VanDerWaalsContact C-N 3.28Å; C131-D133 PolarHBondContact O-N 2.86Å; C131-D133 VanDerWaalsContact O-N 3.17Å; C131-K134 PolarHBondContact O-N 2.99Å; C131-K134 VanDerWaalsContact O-N 3.14Å; C131-F136 VanDerWaalsContact SG-CD2 3.58Å
132	H	86.2	Confident	93.3	Very high	154 Å²	154	75.1 Å²	75.1	71%	0.713	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-34	-169.1	77.7	-75.1	0	0	0	114.5	E128 A129	E128-H132 PolarHBondContact O-N 3.35Å; A129-H132 PolarHBondContact O-ND1 3.01Å
133	D	87	Confident	93.3	Very high	65 Å²	65	74.7 Å²	74.7	35%	0.348	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	6	-176.1	76.1	-12.4	0	0	0	113.8	C131 K135	C131-D133 VanDerWaalsContact C-N 3.28Å; C131-D133 PolarHBondContact O-N 2.86Å; C131-D133 VanDerWaalsContact O-N 3.17Å; D133-K135 PolarHBondContact O-N 2.88Å; D133-K135 WeakPolarHBondContact OD1-CB 3.36Å; D133-K135 PolarHBondContact OD1-N 3.25Å; D133-K135 WeakPolarHBondContact OD2-CD 3.33Å; D133-K135 IonicContact OD2-NZ 3.95Å
134	K	83.2	Confident	93.4	Very high	200 Å²	200	75.1 Å²	75.1	87%	0.87	38%	0.377	S	S	*	.	S	Bend	trans	58.9	18.5	-175.4	-53.3	-178.9	-180	-178.4	0	114.5	C131	C131-K134 PolarHBondContact O-N 2.99Å; C131-K134 VanDerWaalsContact O-N 3.14Å
135	K	88.6	Confident	93.5	Very high	148 Å²	148	71.5 Å²	71.5	64%	0.643	37%	0.366	S	S	*	.			trans	-101.3	20	174.3	-57.3	-176.4	-168.2	156.1	0	113	D133 S137 H140	D133-K135 PolarHBondContact O-N 2.88Å; D133-K135 WeakPolarHBondContact OD1-CB 3.36Å; D133-K135 PolarHBondContact OD1-N 3.25Å; D133-K135 WeakPolarHBondContact OD2-CD 3.33Å; D133-K135 IonicContact OD2-NZ 3.95Å; K135-S137 PolarHBondContact O-N 3.31Å; K135-H140 PolarHBondContact O-CE1 3.09Å; K135-H140 PolarHBondContact O-ND1 3.1Å
136	F	92.7	Very high	93.5	Very high	70 Å²	70	70 Å²	70	31%	0.307	36%	0.356	S	S	.	.			trans	-53.6	134.3	174.3	-165.8	-94.7	0	0	0	110.5	L127 D130 C131 H140 M141 I144	L127-F136 HydrophobicContact CD2-CE2 3.97Å; L127-F136 HydrophobicContact CD2-CZ 3.82Å; D130-F136 HydrophobicContact CB-CD2 3.68Å; D130-F136 HydrophobicContact CB-CE2 3.76Å; C131-F136 VanDerWaalsContact SG-CD2 3.58Å; F136-H140 HydrophobicContact CD2-CB 3.87Å; F136-H140 HydrophobicContact CE2-CB 3.65Å; F136-H140 HydrophobicContact CZ-CB 4.16Å; F136-M141 HydrophobicContact CE1-CB 4.12Å; F136-M141 HydrophobicContact CE1-CE 4.01Å; F136-M141 HydrophobicContact CZ-CB 3.92Å; F136-M141 HydrophobicContact CZ-CE 3.8Å; F136-I144 HydrophobicContact CE2-CD1 4.1Å; F136-I144 HydrophobicContact CZ-CD1 4.39Å
137	S	94.5	Very high	93.4	Very high	47 Å²	47	69.9 Å²	69.9	33%	0.329	36%	0.356	S	S	.	.			trans	-142.7	168.8	-173	79.5	0	0	0	0	110.1	K135 M139 H140 M141	K135-S137 PolarHBondContact O-N 3.31Å; S137-M139 PolarHBondContact O-N 3.18Å; S137-M139 PolarHBondContact OG-N 2.95Å; S137-H140 PolarHBondContact N-ND1 2.81Å; S137-H140 VanDerWaalsContact N-ND1 3.12Å; S137-H140 WeakPolarHBondContact O-CB 3.41Å; S137-H140 PolarHBondContact O-N 2.97Å; S137-H140 VanDerWaalsContact O-N 3.1Å; S137-H140 PolarHBondContact OG-ND1 3.08Å; S137-M141 PolarHBondContact O-N 2.87Å
138	A	95.9	Very high	93.3	Very high	20 Å²	20	73.8 Å²	73.8	17%	0.165	37%	0.374	C	S	.	.	H	α-helix	trans	-57.8	-30.1	174.4	0	0	0	0	0	112.4	M141 M142 V167 I169	A138-M141 PolarHBondContact O-N 3.09Å; A138-M142 HydrophobicContact CB-CE 4.31Å; A138-M142 WeakPolarHBondContact O-CB 3.42Å; A138-M142 WeakPolarHBondContact O-CG 3.47Å; A138-M142 PolarHBondContact O-N 2.7Å; A138-V167 HydrophobicContact CB-CG1 3.98Å; A138-I169 HydrophobicContact CB-CD1 3.72Å; A138-I169 HydrophobicContact CB-CG1 4.02Å
139	M	95.9	Very high	93.2	Very high	133 Å²	133	76.1 Å²	76.1	66%	0.655	39%	0.385	S	S	*	.	H	α-helix	trans	-67.7	-38.5	176.9	-65.4	-57.5	-61	0	0	112.3	S137 M142 S143	S137-M139 PolarHBondContact O-N 3.18Å; S137-M139 PolarHBondContact OG-N 2.95Å; M139-M142 PolarHBondContact O-N 2.91Å; M139-M142 HydrophobicContact SD-SD 3.96Å; M139-S143 PolarHBondContact O-N 3.26Å
140	H	96.8	Very high	93.1	Very high	64 Å²	64	73.6 Å²	73.6	30%	0.296	36%	0.364	S	S	.	.	H	α-helix	trans	-61.4	-49.3	172.6	-63.2	103.9	0	0	0	110.2	D130 K135 F136 S137 M142 S143 I144	D130-H140 HydrophobicContact CB-CB 4.21Å; D130-H140 IonicContact OD2-CD2 3.9Å; K135-H140 PolarHBondContact O-CE1 3.09Å; K135-H140 PolarHBondContact O-ND1 3.1Å; F136-H140 HydrophobicContact CD2-CB 3.87Å; F136-H140 HydrophobicContact CE2-CB 3.65Å; F136-H140 HydrophobicContact CZ-CB 4.16Å; S137-H140 PolarHBondContact N-ND1 2.81Å; S137-H140 VanDerWaalsContact N-ND1 3.12Å; S137-H140 WeakPolarHBondContact O-CB 3.41Å; S137-H140 PolarHBondContact O-N 2.97Å; S137-H140 VanDerWaalsContact O-N 3.1Å; S137-H140 PolarHBondContact OG-ND1 3.08Å; H140-M142 VanDerWaalsContact C-N 3.33Å; H140-M142 PolarHBondContact O-N 3.33Å; H140-S143 WeakPolarHBondContact O-CA 3.38Å; H140-S143 VanDerWaalsContact O-CB 3.29Å; H140-S143 WeakPolarHBondContact O-CB 3.27Å; H140-S143 PolarHBondContact O-N 2.98Å; H140-I144 WeakPolarHBondContact O-CG1 3.04Å; H140-I144 PolarHBondContact O-N 3.48Å
141	M	97.2	Very high	93.2	Very high	57 Å²	57	72.7 Å²	72.7	28%	0.281	36%	0.364	S	S	.	.	H	α-helix	trans	-59	-41.9	176	-173.9	59.9	78	0	0	112.6	L127 F136 S137 A138 S143 I144 L145 V167	L127-M141 HydrophobicContact CD2-CE 3.9Å; F136-M141 HydrophobicContact CE1-CB 4.12Å; F136-M141 HydrophobicContact CE1-CE 4.01Å; F136-M141 HydrophobicContact CZ-CB 3.92Å; F136-M141 HydrophobicContact CZ-CE 3.8Å; S137-M141 PolarHBondContact O-N 2.87Å; A138-M141 PolarHBondContact O-N 3.09Å; M141-S143 VanDerWaalsContact C-N 3.28Å; M141-S143 PolarHBondContact O-N 2.94Å; M141-I144 PolarHBondContact O-N 3.02Å; M141-L145 HydrophobicContact CG-CD1 4.26Å; M141-L145 WeakPolarHBondContact O-CG 2.98Å; M141-L145 PolarHBondContact O-N 3.32Å; M141-L145 HydrophobicContact SD-CG 4.49Å; M141-V167 HydrophobicContact CB-CG1 4.07Å; M141-V167 HydrophobicContact CB-CG2 4.2Å; M141-V167 HydrophobicContact CG-CB 4.43Å; M141-V167 HydrophobicContact CG-CG1 3.98Å; M141-V167 HydrophobicContact CG-CG2 3.68Å
142	M	97.7	Very high	93.3	Very high	15 Å²	15	72.9 Å²	72.9	7%	0.074	36%	0.363	C	S	.	.	H	α-helix	trans	-63.1	-34.1	175.1	-71.1	174.7	-168	0	0	112.3	A138 M139 H140 R146 V167 F181 F193	A138-M142 HydrophobicContact CB-CE 4.31Å; A138-M142 WeakPolarHBondContact O-CB 3.42Å; A138-M142 WeakPolarHBondContact O-CG 3.47Å; A138-M142 PolarHBondContact O-N 2.7Å; M139-M142 PolarHBondContact O-N 2.91Å; M139-M142 HydrophobicContact SD-SD 3.96Å; H140-M142 VanDerWaalsContact C-N 3.33Å; H140-M142 PolarHBondContact O-N 3.33Å; M142-R146 WeakPolarHBondContact O-CD 3.46Å; M142-R146 WeakPolarHBondContact O-CG 3.33Å; M142-R146 PolarHBondContact O-N 3.34Å; M142-V167 HydrophobicContact CE-CB 4.4Å; M142-V167 HydrophobicContact CG-CB 4.45Å; M142-V167 HydrophobicContact CG-CG2 3.78Å; M142-F181 HydrophobicContact CE-CB 3.78Å; M142-F181 HydrophobicContact CE-CD1 3.67Å; M142-F181 HydrophobicContact CE-CD2 3.77Å; M142-F181 HydrophobicContact CE-CE1 4.15Å; M142-F181 HydrophobicContact CE-CE2 4.24Å; M142-F181 HydrophobicContact CE-CG 3.46Å; M142-F181 VanDerWaalsContact CE-CG 3.46Å; M142-F181 HydrophobicContact CE-CZ 4.42Å; M142-F193 HydrophobicContact CB-CD2 3.88Å; M142-F193 HydrophobicContact CB-CE2 3.66Å; M142-F193 HydrophobicContact CB-CZ 4.29Å; M142-F193 HydrophobicContact CE-CB 3.84Å; M142-F193 HydrophobicContact CE-CD1 4.43Å; M142-F193 HydrophobicContact CE-CD2 4.47Å; M142-F193 HydrophobicContact CE-CG 4.02Å; M142-F193 HydrophobicContact CG-CD1 4.22Å; M142-F193 HydrophobicContact CG-CD2 3.47Å; M142-F193 VanDerWaalsContact CG-CD2 3.47Å; M142-F193 HydrophobicContact CG-CE1 4.29Å; M142-F193 HydrophobicContact CG-CE2 3.59Å; M142-F193 HydrophobicContact CG-CG 3.83Å; M142-F193 HydrophobicContact CG-CZ 4.01Å; M142-F193 HydrophobicContact SD-CB 3.87Å; M142-F193 HydrophobicContact SD-CD2 3.66Å; M142-F193 HydrophobicContact SD-CE2 4.39Å; M142-F193 HydrophobicContact SD-CG 3.81Å
143	S	96.8	Very high	93.7	Very high	77 Å²	77	65.6 Å²	65.6	54%	0.538	33%	0.329	S	S	.	.	H	α-helix	trans	-67.1	-47	174.2	-166.6	0	0	0	0	111.1	M139 H140 M141 L145 R146 D147	M139-S143 PolarHBondContact O-N 3.26Å; H140-S143 WeakPolarHBondContact O-CA 3.38Å; H140-S143 VanDerWaalsContact O-CB 3.29Å; H140-S143 WeakPolarHBondContact O-CB 3.27Å; H140-S143 PolarHBondContact O-N 2.98Å; M141-S143 VanDerWaalsContact C-N 3.28Å; M141-S143 PolarHBondContact O-N 2.94Å; S143-L145 VanDerWaalsContact C-N 3.31Å; S143-L145 PolarHBondContact O-N 3.47Å; S143-R146 CarbonylContact O-C 3.6Å; S143-R146 WeakPolarHBondContact O-CA 3.18Å; S143-R146 WeakPolarHBondContact O-CB 3.44Å; S143-R146 PolarHBondContact O-N 2.91Å; S143-D147 PolarHBondContact O-N 3Å
144	I	96.8	Very high	93.9	Very high	8 Å²	8	64.5 Å²	64.5	4%	0.041	32%	0.323	C	S	.	.	H	α-helix	trans	-58.1	-44.6	176.3	-65.1	176.6	0	0	0	110.9	L126 L127 F136 H140 M141 R146 D147 I152	L126-I144 HydrophobicContact CB-CD1 4.05Å; L126-I144 HydrophobicContact CB-CG1 3.99Å; L126-I144 HydrophobicContact CB-CG2 4.39Å; L126-I144 HydrophobicContact CD1-CG2 4.15Å; L127-I144 HydrophobicContact CD2-CD1 3.61Å; L127-I144 HydrophobicContact CG-CD1 4.04Å; F136-I144 HydrophobicContact CE2-CD1 4.1Å; F136-I144 HydrophobicContact CZ-CD1 4.39Å; H140-I144 WeakPolarHBondContact O-CG1 3.04Å; H140-I144 PolarHBondContact O-N 3.48Å; M141-I144 PolarHBondContact O-N 3.02Å; I144-R146 PolarHBondContact O-N 3Å; I144-D147 VanDerWaalsContact O-CB 3.3Å; I144-D147 WeakPolarHBondContact O-CB 3.46Å; I144-D147 PolarHBondContact O-N 2.9Å; I144-I152 HydrophobicContact CG2-CD1 3.64Å
145	L	96.8	Very high	94.1	Very high	34 Å²	34	56 Å²	56	18%	0.178	29%	0.287	C	S	.	.	H	α-helix	trans	-67.1	-19.3	178.1	-68.2	174.6	0	0	0	113.4	M141 S143 I152 C153 Q166 V167 P188 F193	M141-L145 HydrophobicContact CG-CD1 4.26Å; M141-L145 WeakPolarHBondContact O-CG 2.98Å; M141-L145 PolarHBondContact O-N 3.32Å; M141-L145 HydrophobicContact SD-CG 4.49Å; S143-L145 VanDerWaalsContact C-N 3.31Å; S143-L145 PolarHBondContact O-N 3.47Å; L145-I152 HydrophobicContact CD2-CG2 4.11Å; L145-C153 WeakPolarHBondContact O-CB 3.27Å; L145-Q166 WeakPolarHBondContact CD1-O 3.43Å; L145-V167 HydrophobicContact CD1-CG2 3.46Å; L145-V167 VanDerWaalsContact CD1-CG2 3.46Å; L145-P188 WeakPolarHBondContact O-CG 3.3Å; L145-F193 HydrophobicContact CB-CZ 4.31Å; L145-F193 HydrophobicContact CD1-CE1 4.38Å; L145-F193 HydrophobicContact CD1-CZ 4.14Å
146	R	96	Very high	93.5	Very high	70 Å²	70	54.3 Å²	54.3	26%	0.264	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-6	174.1	-72.3	172.2	-169.2	-85	-21.3	113	M142 S143 I144 E148 P188 Q189 S191 F193	M142-R146 WeakPolarHBondContact O-CD 3.46Å; M142-R146 WeakPolarHBondContact O-CG 3.33Å; M142-R146 PolarHBondContact O-N 3.34Å; S143-R146 CarbonylContact O-C 3.6Å; S143-R146 WeakPolarHBondContact O-CA 3.18Å; S143-R146 WeakPolarHBondContact O-CB 3.44Å; S143-R146 PolarHBondContact O-N 2.91Å; I144-R146 PolarHBondContact O-N 3Å; R146-E148 PolarHBondContact O-N 2.87Å; R146-E148 VanDerWaalsContact O-N 3.17Å; R146-P188 HydrophobicContact CG-CB 4.14Å; R146-P188 PolarHBondContact NH1-O 3.32Å; R146-P188 PolarHBondContact NH2-O 2.93Å; R146-Q189 HydrophobicContact CB-CG 4.07Å; R146-Q189 PolarHBondContact NH1-O 3Å; R146-Q189 VanDerWaalsContact NH1-O 3.1Å; R146-Q189 WeakPolarHBondContact O-CG 3.18Å; R146-Q189 PolarHBondContact O-NE2 3Å; R146-S191 VanDerWaalsContact CZ-O 3.31Å; R146-S191 PolarHBondContact NH1-O 2.93Å; R146-S191 PolarHBondContact NH2-O 3.35Å; R146-F193 VanDerWaalsContact NH2-CE2 3.33Å
147	D	94.9	Very high	92.7	Very high	46 Å²	46	54.7 Å²	54.7	25%	0.246	32%	0.317	C	S	.	.			trans	-78	107.5	-172.1	-170.1	70.9	0	0	0	110.9	L126 S143 I144 S150 C153	L126-D147 HydrophobicContact CD1-CB 4.08Å; S143-D147 PolarHBondContact O-N 3Å; I144-D147 VanDerWaalsContact O-CB 3.3Å; I144-D147 WeakPolarHBondContact O-CB 3.46Å; I144-D147 PolarHBondContact O-N 2.9Å; D147-S150 PolarHBondContact O-OG 2.91Å; D147-S150 WeakPolarHBondContact OD2-CA 3.47Å; D147-S150 WeakPolarHBondContact OD2-CB 3.33Å; D147-S150 PolarHBondContact OD2-N 3.39Å; D147-S150 PolarHBondContact OD2-OG 3.27Å; D147-C153 WeakPolarHBondContact O-CB 3.41Å; D147-C153 PolarHBondContact O-N 3.38Å
148	E	92.9	Very high	91.7	Very high	91 Å²	91	54.8 Å²	54.8	43%	0.425	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-33	179	177.1	177.3	-156.9	0	0	111.5	R146 S150 G151 T155 Q189	R146-E148 PolarHBondContact O-N 2.87Å; R146-E148 VanDerWaalsContact O-N 3.17Å; E148-S150 VanDerWaalsContact C-N 3.32Å; E148-S150 PolarHBondContact O-N 3.15Å; E148-G151 WeakPolarHBondContact O-CA 3.4Å; E148-G151 PolarHBondContact O-N 2.86Å; E148-T155 VanDerWaalsContact CD-CG2 3.44Å; E148-T155 HydrophobicContact CG-CG2 3.97Å; E148-T155 WeakPolarHBondContact OE1-CB 3.32Å; E148-T155 WeakPolarHBondContact OE1-CG2 3.43Å; E148-T155 PolarHBondContact OE1-OG1 3.5Å; E148-Q189 VanDerWaalsContact CB-NE2 3.34Å
149	E	92.4	Very high	90.8	Very high	166 Å²	166	59.2 Å²	59.2	78%	0.776	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-37	-179.1	-168.7	-173.4	156.4	0	0	112.2	G151	E149-G151 PolarHBondContact O-N 2.72Å
150	S	92.4	Very high	90.2	Very high	5 Å²	5	58.6 Å²	58.6	4%	0.035	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-15	172	60.5	0	0	0	0	114.1	K122 D147 E148 I152	K122-S150 VanDerWaalsContact CB-CB 3.46Å; D147-S150 PolarHBondContact O-OG 2.91Å; D147-S150 WeakPolarHBondContact OD2-CA 3.47Å; D147-S150 WeakPolarHBondContact OD2-CB 3.33Å; D147-S150 PolarHBondContact OD2-N 3.39Å; D147-S150 PolarHBondContact OD2-OG 3.27Å; E148-S150 VanDerWaalsContact C-N 3.32Å; E148-S150 PolarHBondContact O-N 3.15Å; S150-I152 PolarHBondContact O-N 2.93Å; S150-I152 WeakPolarHBondContact OG-CB 3.39Å; S150-I152 WeakPolarHBondContact OG-CD1 3.27Å; S150-I152 WeakPolarHBondContact OG-CG1 3.47Å; S150-I152 PolarHBondContact OG-N 2.74Å
151	G	91.8	Very high	89.8	Confident	24 Å²	24	58.1 Å²	58.1	25%	0.247	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.9	6.1	-171	0	0	0	0	0	114.4	R119 E148 E149 M154	R119-G151 WeakPolarHBondContact CD-O 3.32Å; R119-G151 WeakPolarHBondContact CG-O 3.24Å; E148-G151 WeakPolarHBondContact O-CA 3.4Å; E148-G151 PolarHBondContact O-N 2.86Å; E149-G151 PolarHBondContact O-N 2.72Å; G151-M154 WeakPolarHBondContact O-CG 3.48Å
152	I	93.2	Very high	89.6	Confident	36 Å²	36	56.4 Å²	56.4	19%	0.185	35%	0.346	C	S	.	.	S	Bend	trans	-68	-49	175	-66.8	170.8	0	0	0	110	L126 I144 L145 S150 M154 T162	L126-I152 HydrophobicContact CD1-CD1 4.21Å; I144-I152 HydrophobicContact CG2-CD1 3.64Å; L145-I152 HydrophobicContact CD2-CG2 4.11Å; S150-I152 PolarHBondContact O-N 2.93Å; S150-I152 WeakPolarHBondContact OG-CB 3.39Å; S150-I152 WeakPolarHBondContact OG-CD1 3.27Å; S150-I152 WeakPolarHBondContact OG-CG1 3.47Å; S150-I152 PolarHBondContact OG-N 2.74Å; I152-M154 PolarHBondContact O-N 3.01Å; I152-T162 PolarHBondContact O-OG1 3.18Å
153	C	94.1	Very high	89.3	Confident	1 Å²	1	61.2 Å²	61.2	1%	0.007	38%	0.376	C	S	.	.	S	Bend	trans	-82.1	100.9	168.5	-180	0	0	0	0	109.2	L145 D147 P188	L145-C153 WeakPolarHBondContact O-CB 3.27Å; D147-C153 WeakPolarHBondContact O-CB 3.41Å; D147-C153 PolarHBondContact O-N 3.38Å; C153-P188 HydrophobicContact CB-CG 4.13Å; C153-P188 VanDerWaalsContact SG-CD 3.59Å
154	M	92.2	Very high	89.2	Confident	43 Å²	43	60.2 Å²	60.2	21%	0.212	37%	0.369	C	S	.	.			trans	-86	115.8	175.5	-52.7	-175	77.1	0	0	109.7	R119 G151 I152 F160 C161 T162	R119-M154 PolarHBondContact NH1-SD 3.5Å; G151-M154 WeakPolarHBondContact O-CG 3.48Å; I152-M154 PolarHBondContact O-N 3.01Å; M154-F160 WeakPolarHBondContact CB-O 3.33Å; M154-F160 HydrophobicContact CE-CB 3.66Å; M154-F160 HydrophobicContact CE-CD2 4.02Å; M154-F160 HydrophobicContact CE-CG 4.33Å; M154-F160 HydrophobicContact SD-CB 3.94Å; M154-C161 WeakPolarHBondContact O-CA 3.34Å; M154-T162 PolarHBondContact N-OG1 3.02Å; M154-T162 PolarHBondContact O-N 2.87Å
155	T	86.9	Confident	89.2	Confident	21 Å²	21	60.3 Å²	60.3	13%	0.129	37%	0.371	C	S	.	.			trans	-93.3	168.3	178.6	63.8	0	0	0	0	111	E148 G157 G158	E148-T155 VanDerWaalsContact CD-CG2 3.44Å; E148-T155 HydrophobicContact CG-CG2 3.97Å; E148-T155 WeakPolarHBondContact OE1-CB 3.32Å; E148-T155 WeakPolarHBondContact OE1-CG2 3.43Å; E148-T155 PolarHBondContact OE1-OG1 3.5Å; T155-G157 PolarHBondContact O-N 2.91Å; T155-G158 PolarHBondContact O-N 3.32Å; T155-G158 VanDerWaalsContact O-N 3.1Å
156	S	74.8	Confident	89.3	Confident	113 Å²	113	63.5 Å²	63.5	79%	0.79	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-8.1	-176.7	53	0	0	0	0	115
157	G	76.2	Confident	89.3	Confident	77 Å²	77	60.6 Å²	60.6	79%	0.794	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-11.6	174.4	0	0	0	0	0	114.5	T155	T155-G157 PolarHBondContact O-N 2.91Å
158	G	73.9	Confident	89.5	Confident	50 Å²	50	60.7 Å²	60.7	52%	0.515	38%	0.379	S	S	.	.	S	Bend	trans	-99.5	-175.9	-179.3	0	0	0	0	0	114.4	T155 F160	T155-G158 PolarHBondContact O-N 3.32Å; T155-G158 VanDerWaalsContact O-N 3.1Å; G158-F160 PolarHBondContact O-N 2.91Å
159	S	77.7	Confident	89.7	Confident	112 Å²	112	59.7 Å²	59.7	78%	0.783	38%	0.376	S	S	*	.	S	Bend	trans	-66.3	-21.8	178.1	-49.5	0	0	0	0	114
160	F	83.2	Confident	89.8	Confident	121 Å²	121	54.7 Å²	54.7	53%	0.531	35%	0.354	S	S	.	.	S	Bend	trans	-141.2	158.9	177.3	-60.1	-85.4	0	0	0	109.2	M35 M154 G158	M35-F160 HydrophobicContact CE-CE1 4.49Å; M35-F160 HydrophobicContact CE-CZ 3.85Å; M154-F160 WeakPolarHBondContact CB-O 3.33Å; M154-F160 HydrophobicContact CE-CB 3.66Å; M154-F160 HydrophobicContact CE-CD2 4.02Å; M154-F160 HydrophobicContact CE-CG 4.33Å; M154-F160 HydrophobicContact SD-CB 3.94Å; G158-F160 PolarHBondContact O-N 2.91Å
161	C	88.5	Confident	90	Very high	53 Å²	53	55.8 Å²	55.8	36%	0.358	36%	0.36	S	S	.	.			trans	-115.9	135.5	170.3	-174.6	0	0	0	0	109.3	M154 T163	M154-C161 WeakPolarHBondContact O-CA 3.34Å; C161-T163 PolarHBondContact O-N 3.07Å; C161-T163 VanDerWaalsContact O-N 3.09Å
162	T	92.1	Very high	90.1	Very high	22 Å²	22	59.3 Å²	59.3	14%	0.135	38%	0.381	C	S	.	.			trans	-60.2	114	173	-64.6	0	0	0	0	108.7	I152 M154 P186 N187 P188	I152-T162 PolarHBondContact O-OG1 3.18Å; M154-T162 PolarHBondContact N-OG1 3.02Å; M154-T162 PolarHBondContact O-N 2.87Å; T162-P186 CarbonylContact O-C 3.5Å; T162-P186 WeakPolarHBondContact O-CA 3.45Å; T162-P186 VanDerWaalsContact O-CB 3.27Å; T162-P186 WeakPolarHBondContact O-CB 3.47Å; T162-N187 PolarHBondContact O-N 2.85Å; T162-N187 VanDerWaalsContact O-N 3.08Å; T162-P188 HydrophobicContact CG2-CG 4.41Å
163	T	92	Very high	90.3	Very high	116 Å²	116	61.4 Å²	61.4	71%	0.712	39%	0.393	S	S	*	.			trans	-69.5	-38.6	-177.3	-48.3	0	0	0	0	113.1	C161 L185 P186	C161-T163 PolarHBondContact O-N 3.07Å; C161-T163 VanDerWaalsContact O-N 3.09Å; T163-L185 CarbonylContact O-C 3.55Å; T163-P186 WeakPolarHBondContact O-CA 3.38Å; T163-P186 VanDerWaalsContact O-N 3.1Å
164	S	95	Very high	90.2	Very high	55 Å²	55	66.5 Å²	66.5	39%	0.385	42%	0.424	S	S	.	.			trans	-165.6	162.2	177.6	-177.8	0	0	0	0	109.5	T183 G184	S164-T183 PolarHBondContact OG-OG1 3.1Å; S164-G184 PolarHBondContact OG-N 2.62Å
165	S	96.7	Very high	90.3	Very high	11 Å²	11	71.1 Å²	71.1	8%	0.077	45%	0.45	C	S	.	.			trans	-130.3	151.4	173.9	-56.3	0	0	0	0	110.9	T183 P188	S165-T183 PolarHBondContact N-OG1 2.95Å; S165-T183 PolarHBondContact O-N 3.24Å; S165-P188 WeakPolarHBondContact OG-CG 3.3Å
166	Q	97.1	Very high	90.7	Very high	101 Å²	101	73.1 Å²	73.1	47%	0.472	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	140.2	-179	179.1	-175.8	-19.3	0	0	110.7	L145 S168 F181 F182	L145-Q166 WeakPolarHBondContact CD1-O 3.43Å; Q166-S168 PolarHBondContact NE2-OG 3.16Å; Q166-F181 CarbonylContact C-O 3.5Å; Q166-F181 WeakPolarHBondContact CA-O 3.18Å; Q166-F182 HydrophobicContact CB-CD1 4.05Å; Q166-F182 HydrophobicContact CB-CE1 4.26Å; Q166-F182 HydrophobicContact CG-CD1 3.8Å; Q166-F182 HydrophobicContact CG-CE1 3.63Å; Q166-F182 HydrophobicContact CG-CZ 4.24Å
167	V	97.8	Very high	91.5	Very high	9 Å²	9	71.6 Å²	71.6	6%	0.055	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	132.1	167.5	179.1	0	0	0	0	108.3	A138 M141 M142 L145 F181 F193	A138-V167 HydrophobicContact CB-CG1 3.98Å; M141-V167 HydrophobicContact CB-CG1 4.07Å; M141-V167 HydrophobicContact CB-CG2 4.2Å; M141-V167 HydrophobicContact CG-CB 4.43Å; M141-V167 HydrophobicContact CG-CG1 3.98Å; M141-V167 HydrophobicContact CG-CG2 3.68Å; M142-V167 HydrophobicContact CE-CB 4.4Å; M142-V167 HydrophobicContact CG-CB 4.45Å; M142-V167 HydrophobicContact CG-CG2 3.78Å; L145-V167 HydrophobicContact CD1-CG2 3.46Å; L145-V167 VanDerWaalsContact CD1-CG2 3.46Å; V167-F181 HydrophobicContact CB-CB 4.33Å; V167-F181 PolarHBondContact N-O 2.77Å; V167-F181 PolarHBondContact O-N 2.99Å; V167-F193 HydrophobicContact CG2-CD1 4.47Å; V167-F193 HydrophobicContact CG2-CE1 3.96Å; V167-F193 HydrophobicContact CG2-CZ 4.35Å
168	S	97.6	Very high	92.4	Very high	48 Å²	48	69.3 Å²	69.3	34%	0.336	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	136.4	177.3	-57.8	0	0	0	0	110.3	Q166 V179 H180	Q166-S168 PolarHBondContact NE2-OG 3.16Å; S168-V179 WeakPolarHBondContact CA-O 3.4Å; S168-H180 WeakPolarHBondContact CB-ND1 3.21Å; S168-H180 PolarHBondContact OG-ND1 3.04Å
169	I	97.2	Very high	93.5	Very high	69 Å²	69	67.9 Å²	67.9	35%	0.354	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	120.7	169.9	-52.3	178.1	0	0	0	107	A138 P171 C178 V179 F181	A138-I169 HydrophobicContact CB-CD1 3.72Å; A138-I169 HydrophobicContact CB-CG1 4.02Å; I169-P171 HydrophobicContact CG2-CG 4.42Å; I169-P171 WeakPolarHBondContact O-CD 3.04Å; I169-C178 WeakPolarHBondContact O-CA 3.48Å; I169-V179 HydrophobicContact CB-CG1 3.75Å; I169-V179 HydrophobicContact CD1-CG1 3.78Å; I169-V179 HydrophobicContact CG1-CG1 3.97Å; I169-V179 PolarHBondContact N-O 3.37Å; I169-V179 PolarHBondContact O-N 3.17Å; I169-F181 HydrophobicContact CD1-CE2 3.91Å; I169-F181 HydrophobicContact CG1-CE2 4.22Å
170	I	95.9	Very high	94.4	Very high	62 Å²	62	63.6 Å²	63.6	32%	0.318	37%	0.37	S	S	.	.			trans	-119.2	91.8	-179.8	-54.1	175.3	0	0	0	107.4	A44 R46	A44-I170 HydrophobicContact CB-CD1 4.29Å; R46-I170 HydrophobicContact CB-CG2 4.36Å; R46-I170 HydrophobicContact CG-CG2 3.68Å
171	P	95.5	Very high	95.2	Very high	27 Å²	27	59.7 Å²	59.7	18%	0.175	35%	0.353	C	S	.	.			trans	-67.1	147	-178.6	-19	31.7	0	0	0	111.7	R46 I169 D173 V176	R46-P171 WeakPolarHBondContact CD-O 3.42Å; R46-P171 VanDerWaalsContact CG-O 3.24Å; R46-P171 WeakPolarHBondContact CG-O 3.49Å; R46-P171 PolarHBondContact NH1-O 2.7Å; I169-P171 HydrophobicContact CG2-CG 4.42Å; I169-P171 WeakPolarHBondContact O-CD 3.04Å; P171-D173 VanDerWaalsContact C-N 3.3Å; P171-V176 HydrophobicContact CB-CB 3.97Å; P171-V176 HydrophobicContact CB-CG1 4.17Å; P171-V176 HydrophobicContact CG-CB 3.95Å; P171-V176 HydrophobicContact CG-CG1 3.68Å
172	S	95.1	Very high	95.6	Very high	98 Å²	98	60 Å²	60	69%	0.685	35%	0.348	S	S	*	.	S	Bend	trans	-68.9	-31.2	170.4	-56.5	0	0	0	0	112.4	R46 T174	R46-S172 PolarHBondContact O-OG 3.26Å; S172-T174 PolarHBondContact O-N 3.13Å
173	D	95.9	Very high	95.8	Very high	80 Å²	80	59 Å²	59	43%	0.428	34%	0.342	S	S	.	.	S	Bend	trans	-71.3	115	174.6	-176.6	-1.4	0	0	0	110.9	R46 P171 N175 V176	R46-D173 PolarHBondContact NH1-O 3.33Å; P171-D173 VanDerWaalsContact C-N 3.3Å; D173-N175 PolarHBondContact O-N 3.12Å; D173-N175 WeakPolarHBondContact OD1-CB 3.44Å; D173-N175 PolarHBondContact OD1-N 2.69Å; D173-N175 PolarHBondContact OD1-ND2 3.26Å; D173-V176 HydrophobicContact CB-CG2 4.03Å; D173-V176 PolarHBondContact O-N 3.36Å; D173-V176 VanDerWaalsContact O-N 3.09Å
174	T	93	Very high	95.9	Very high	108 Å²	108	56.1 Å²	56.1	66%	0.663	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-18.6	-179.8	52.6	0	0	0	0	113.7	S172 V176	S172-T174 PolarHBondContact O-N 3.13Å; T174-V176 VanDerWaalsContact C-N 3.28Å
175	N	94.5	Very high	95.7	Very high	140 Å²	140	57.8 Å²	57.8	75%	0.749	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-14.8	175.4	-56.7	-62.6	0	0	0	112.6	D173	D173-N175 PolarHBondContact O-N 3.12Å; D173-N175 WeakPolarHBondContact OD1-CB 3.44Å; D173-N175 PolarHBondContact OD1-N 2.69Å; D173-N175 PolarHBondContact OD1-ND2 3.26Å
176	V	94.1	Very high	95.5	Very high	64 Å²	64	60.5 Å²	60.5	39%	0.388	36%	0.356	S	S	.	.	S	Bend	trans	-96.2	124	176.3	-172.9	0	0	0	0	109	R46 P171 D173 T174	R46-V176 PolarHBondContact NH1-O 2.98Å; R46-V176 PolarHBondContact NH2-O 3.49Å; P171-V176 HydrophobicContact CB-CB 3.97Å; P171-V176 HydrophobicContact CB-CG1 4.17Å; P171-V176 HydrophobicContact CG-CB 3.95Å; P171-V176 HydrophobicContact CG-CG1 3.68Å; D173-V176 HydrophobicContact CB-CG2 4.03Å; D173-V176 PolarHBondContact O-N 3.36Å; D173-V176 VanDerWaalsContact O-N 3.09Å; T174-V176 VanDerWaalsContact C-N 3.28Å
177	P	93.5	Very high	95.2	Very high	80 Å²	80	56.8 Å²	56.8	52%	0.519	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-66.5	146	179.3	28.3	-34.7	0	0	0	111	F197	P177-F197 HydrophobicContact CB-CD1 4.22Å; P177-F197 HydrophobicContact CG-CD1 4.38Å; P177-F197 HydrophobicContact CG-CE1 4.3Å
178	C	95.1	Very high	95	Very high	30 Å²	30	56.3 Å²	56.3	20%	0.203	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-66.5	144.1	166.1	-58.9	0	0	0	0	109.2	I169 F197	I169-C178 WeakPolarHBondContact O-CA 3.48Å; C178-F197 WeakPolarHBondContact O-CD1 3.41Å
179	V	96.7	Very high	94.7	Very high	19 Å²	19	57.6 Å²	57.6	12%	0.115	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	134.4	173.2	59	0	0	0	0	109.7	S168 I169 F181 P195 F197	S168-V179 WeakPolarHBondContact CA-O 3.4Å; I169-V179 HydrophobicContact CB-CG1 3.75Å; I169-V179 HydrophobicContact CD1-CG1 3.78Å; I169-V179 HydrophobicContact CG1-CG1 3.97Å; I169-V179 PolarHBondContact N-O 3.37Å; I169-V179 PolarHBondContact O-N 3.17Å; V179-F181 HydrophobicContact CB-CE2 4.33Å; V179-F181 HydrophobicContact CG1-CE2 3.69Å; V179-F181 HydrophobicContact CG1-CZ 4.12Å; V179-F181 HydrophobicContact CG2-CD2 4.34Å; V179-F181 HydrophobicContact CG2-CE1 4.31Å; V179-F181 HydrophobicContact CG2-CE2 3.76Å; V179-F181 HydrophobicContact CG2-CZ 3.74Å; V179-P195 HydrophobicContact CG2-CB 4.07Å; V179-F197 HydrophobicContact CB-CD1 4.21Å; V179-F197 HydrophobicContact CB-CE1 3.66Å; V179-F197 HydrophobicContact CB-CZ 4.05Å; V179-F197 HydrophobicContact CG2-CD1 4.44Å; V179-F197 HydrophobicContact CG2-CE1 3.84Å; V179-F197 HydrophobicContact CG2-CE2 4.21Å; V179-F197 HydrophobicContact CG2-CZ 3.7Å
180	H	97	Very high	94.4	Very high	23 Å²	23	61.3 Å²	61.3	11%	0.106	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	124.2	-177.2	-53.5	-84.2	0	0	0	108.7	S168 F182 P195 F196 F198	S168-H180 WeakPolarHBondContact CB-ND1 3.21Å; S168-H180 PolarHBondContact OG-ND1 3.04Å; H180-F182 HydrophobicContact CB-CD2 4.33Å; H180-F182 HydrophobicContact CB-CE2 3.45Å; H180-F182 VanDerWaalsContact CB-CE2 3.45Å; H180-F182 HydrophobicContact CB-CZ 3.81Å; H180-P195 CarbonylContact O-C 3.53Å; H180-F196 PolarHBondContact N-O 3.43Å; H180-F196 WeakPolarHBondContact O-CA 3.29Å; H180-F196 WeakPolarHBondContact O-CB 3.43Å; H180-F196 PolarHBondContact O-N 2.93Å; H180-F198 HydrophobicContact CB-CE2 4.42Å; H180-F198 AromaticContact CD2-CD2 3.31Å; H180-F198 WeakPolarHBondContact CD2-CD2 3.5Å; H180-F198 AromaticContact CD2-CE2 3.36Å; H180-F198 WeakPolarHBondContact CD2-CE2 3.46Å; H180-F198 AromaticContact CG-CE2 3.8Å; H180-F198 AromaticContact NE2-CD2 3.45Å; H180-F198 WeakPolarHBondContact NE2-CD2 3.32Å; H180-F198 AromaticContact NE2-CE2 3.71Å
181	F	98	Very high	94.2	Very high	39 Å²	39	59 Å²	59	17%	0.171	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	125.8	-179	-63.1	-89.9	0	0	0	109.2	M142 Q166 V167 I169 V179 F193 K194 P195	M142-F181 HydrophobicContact CE-CB 3.78Å; M142-F181 HydrophobicContact CE-CD1 3.67Å; M142-F181 HydrophobicContact CE-CD2 3.77Å; M142-F181 HydrophobicContact CE-CE1 4.15Å; M142-F181 HydrophobicContact CE-CE2 4.24Å; M142-F181 HydrophobicContact CE-CG 3.46Å; M142-F181 VanDerWaalsContact CE-CG 3.46Å; M142-F181 HydrophobicContact CE-CZ 4.42Å; Q166-F181 CarbonylContact C-O 3.5Å; Q166-F181 WeakPolarHBondContact CA-O 3.18Å; V167-F181 HydrophobicContact CB-CB 4.33Å; V167-F181 PolarHBondContact N-O 2.77Å; V167-F181 PolarHBondContact O-N 2.99Å; I169-F181 HydrophobicContact CD1-CE2 3.91Å; I169-F181 HydrophobicContact CG1-CE2 4.22Å; V179-F181 HydrophobicContact CB-CE2 4.33Å; V179-F181 HydrophobicContact CG1-CE2 3.69Å; V179-F181 HydrophobicContact CG1-CZ 4.12Å; V179-F181 HydrophobicContact CG2-CD2 4.34Å; V179-F181 HydrophobicContact CG2-CE1 4.31Å; V179-F181 HydrophobicContact CG2-CE2 3.76Å; V179-F181 HydrophobicContact CG2-CZ 3.74Å; F181-F193 HydrophobicContact CB-CB 4.06Å; F181-F193 HydrophobicContact CB-CD1 3.96Å; F181-F193 HydrophobicContact CB-CG 4.42Å; F181-F193 HydrophobicContact CD1-CB 4.49Å; F181-K194 WeakPolarHBondContact CA-O 3.45Å; F181-P195 HydrophobicContact CD1-CB 4Å; F181-P195 HydrophobicContact CE1-CB 3.78Å
182	F	97.5	Very high	94.1	Very high	60 Å²	60	59.8 Å²	59.8	26%	0.263	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	139.4	-179.6	-59.1	-89.2	0	0	0	110.6	Q166 H180 K194 F196	Q166-F182 HydrophobicContact CB-CD1 4.05Å; Q166-F182 HydrophobicContact CB-CE1 4.26Å; Q166-F182 HydrophobicContact CG-CD1 3.8Å; Q166-F182 HydrophobicContact CG-CE1 3.63Å; Q166-F182 HydrophobicContact CG-CZ 4.24Å; H180-F182 HydrophobicContact CB-CD2 4.33Å; H180-F182 HydrophobicContact CB-CE2 3.45Å; H180-F182 VanDerWaalsContact CB-CE2 3.45Å; H180-F182 HydrophobicContact CB-CZ 3.81Å; F182-K194 PolarHBondContact N-O 3.01Å; F182-K194 PolarHBondContact O-N 3.26Å; F182-F196 HydrophobicContact CD2-CB 3.97Å; F182-F196 HydrophobicContact CE2-CB 3.83Å; F182-F196 HydrophobicContact CE2-CD1 4.48Å; F182-F196 HydrophobicContact CE2-CG 4.32Å
183	T	96.9	Very high	94.3	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	33%	0.333	C	S	.	.			trans	-74.5	-44.4	167.3	61.4	0	0	0	0	110.8	S164 S165 L185 P188 G192 F193 K194	S164-T183 PolarHBondContact OG-OG1 3.1Å; S165-T183 PolarHBondContact N-OG1 2.95Å; S165-T183 PolarHBondContact O-N 3.24Å; T183-L185 PolarHBondContact O-N 2.68Å; T183-L185 PolarHBondContact OG1-O 3.21Å; T183-P188 HydrophobicContact CG2-CB 4.2Å; T183-G192 WeakPolarHBondContact CA-O 3.43Å; T183-F193 HydrophobicContact CG2-CD1 3.95Å; T183-F193 HydrophobicContact CG2-CD2 4.45Å; T183-F193 HydrophobicContact CG2-CE1 3.74Å; T183-F193 HydrophobicContact CG2-CE2 4.24Å; T183-F193 HydrophobicContact CG2-CG 4.3Å; T183-F193 HydrophobicContact CG2-CZ 3.88Å; T183-K194 PolarHBondContact O-NZ 3.38Å
184	G	93.5	Very high	94.3	Very high	55 Å²	55	58 Å²	58	57%	0.567	34%	0.336	S	S	*	.			trans	63.9	16.8	-175.3	0	0	0	0	0	113.1	S164	S164-G184 PolarHBondContact OG-N 2.62Å
185	L	91.9	Very high	94.5	Very high	91 Å²	91	56.8 Å²	56.8	48%	0.476	33%	0.33	S	S	.	.	S	Bend	trans	-150.6	152.8	-177.7	-72.7	172.2	0	0	0	109.1	T163 T183 S191	T163-L185 CarbonylContact O-C 3.55Å; T183-L185 PolarHBondContact O-N 2.68Å; T183-L185 PolarHBondContact OG1-O 3.21Å; L185-S191 WeakPolarHBondContact CB-OG 3.49Å
186	P	91.9	Very high	94.5	Very high	67 Å²	67	55 Å²	55	44%	0.435	32%	0.316	S	S	.	.	S	Bend	trans	-64	163	173.2	-21.7	33.3	0	0	0	113.1	T162 T163 S191	T162-P186 CarbonylContact O-C 3.5Å; T162-P186 WeakPolarHBondContact O-CA 3.45Å; T162-P186 VanDerWaalsContact O-CB 3.27Å; T162-P186 WeakPolarHBondContact O-CB 3.47Å; T163-P186 WeakPolarHBondContact O-CA 3.38Å; T163-P186 VanDerWaalsContact O-N 3.1Å; P186-S191 PolarHBondContact O-OG 3.07Å; P186-S191 VanDerWaalsContact O-OG 3.09Å
187	N	90.3	Very high	94.3	Very high	23 Å²	23	57.3 Å²	57.3	12%	0.123	32%	0.321	C	S	.	.			trans	54.1	88.4	178.3	-171.2	-11.5	0	0	0	112.9	T162 Q189 L190 S191	T162-N187 PolarHBondContact O-N 2.85Å; T162-N187 VanDerWaalsContact O-N 3.08Å; N187-Q189 PolarHBondContact O-N 3.41Å; N187-Q189 VanDerWaalsContact O-N 3.12Å; N187-Q189 VanDerWaalsContact OD1-CB 3.3Å; N187-Q189 WeakPolarHBondContact OD1-CB 2.93Å; N187-Q189 PolarHBondContact OD1-N 3.37Å; N187-Q189 VanDerWaalsContact OD1-N 3.1Å; N187-L190 PolarHBondContact O-N 2.93Å; N187-L190 VanDerWaalsContact O-N 3.13Å; N187-S191 PolarHBondContact O-N 3.36Å; N187-S191 PolarHBondContact O-OG 3.46Å
188	P	93.5	Very high	93.9	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-58.3	-24.8	179.4	21.9	-33.7	0	0	0	113.7	L145 R146 C153 T162 S165 T183 L190 S191 F193	L145-P188 WeakPolarHBondContact O-CG 3.3Å; R146-P188 HydrophobicContact CG-CB 4.14Å; R146-P188 PolarHBondContact NH1-O 3.32Å; R146-P188 PolarHBondContact NH2-O 2.93Å; C153-P188 HydrophobicContact CB-CG 4.13Å; C153-P188 VanDerWaalsContact SG-CD 3.59Å; T162-P188 HydrophobicContact CG2-CG 4.41Å; S165-P188 WeakPolarHBondContact OG-CG 3.3Å; T183-P188 HydrophobicContact CG2-CB 4.2Å; P188-L190 VanDerWaalsContact C-N 3.28Å; P188-L190 PolarHBondContact O-N 3.33Å; P188-S191 PolarHBondContact O-N 3.18Å; P188-F193 HydrophobicContact CB-CZ 4.49Å
189	Q	92.2	Very high	93.2	Very high	74 Å²	74	62.5 Å²	62.5	35%	0.346	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-60.5	-37.8	176.9	-66.5	178.3	-30.5	0	0	112.6	R146 E148 N187	R146-Q189 HydrophobicContact CB-CG 4.07Å; R146-Q189 PolarHBondContact NH1-O 3Å; R146-Q189 VanDerWaalsContact NH1-O 3.1Å; R146-Q189 WeakPolarHBondContact O-CG 3.18Å; R146-Q189 PolarHBondContact O-NE2 3Å; E148-Q189 VanDerWaalsContact CB-NE2 3.34Å; N187-Q189 PolarHBondContact O-N 3.41Å; N187-Q189 VanDerWaalsContact O-N 3.12Å; N187-Q189 VanDerWaalsContact OD1-CB 3.3Å; N187-Q189 WeakPolarHBondContact OD1-CB 2.93Å; N187-Q189 PolarHBondContact OD1-N 3.37Å; N187-Q189 VanDerWaalsContact OD1-N 3.1Å
190	L	91	Very high	92.2	Very high	147 Å²	147	66.9 Å²	66.9	77%	0.77	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-95.5	-2.5	-177.9	-56.3	-178.4	0	0	0	112.9	N187 P188	N187-L190 PolarHBondContact O-N 2.93Å; N187-L190 VanDerWaalsContact O-N 3.13Å; P188-L190 VanDerWaalsContact C-N 3.28Å; P188-L190 PolarHBondContact O-N 3.33Å
191	S	91.7	Very high	90.8	Very high	13 Å²	13	71.9 Å²	71.9	9%	0.091	40%	0.403	C	S	.	.	S	Bend	trans	-107.6	153.5	-175.7	-66.5	0	0	0	0	112.1	R146 L185 P186 N187 P188	R146-S191 VanDerWaalsContact CZ-O 3.31Å; R146-S191 PolarHBondContact NH1-O 2.93Å; R146-S191 PolarHBondContact NH2-O 3.35Å; L185-S191 WeakPolarHBondContact CB-OG 3.49Å; P186-S191 PolarHBondContact O-OG 3.07Å; P186-S191 VanDerWaalsContact O-OG 3.09Å; N187-S191 PolarHBondContact O-N 3.36Å; N187-S191 PolarHBondContact O-OG 3.46Å; P188-S191 PolarHBondContact O-N 3.18Å
192	G	93.8	Very high	89.4	Confident	45 Å²	45	75.5 Å²	75.5	46%	0.464	43%	0.429	S	S	.	.			trans	-93.8	142.2	169.3	0	0	0	0	0	112	T183	T183-G192 WeakPolarHBondContact CA-O 3.43Å
193	F	97.8	Very high	87.9	Confident	28 Å²	28	76.9 Å²	76.9	12%	0.123	45%	0.446	C	S	.	.			trans	-83	111.1	171.4	-81.8	-79.4	0	0	0	110.2	M142 L145 R146 V167 F181 T183 P188	M142-F193 HydrophobicContact CB-CD2 3.88Å; M142-F193 HydrophobicContact CB-CE2 3.66Å; M142-F193 HydrophobicContact CB-CZ 4.29Å; M142-F193 HydrophobicContact CE-CB 3.84Å; M142-F193 HydrophobicContact CE-CD1 4.43Å; M142-F193 HydrophobicContact CE-CD2 4.47Å; M142-F193 HydrophobicContact CE-CG 4.02Å; M142-F193 HydrophobicContact CG-CD1 4.22Å; M142-F193 HydrophobicContact CG-CD2 3.47Å; M142-F193 VanDerWaalsContact CG-CD2 3.47Å; M142-F193 HydrophobicContact CG-CE1 4.29Å; M142-F193 HydrophobicContact CG-CE2 3.59Å; M142-F193 HydrophobicContact CG-CG 3.83Å; M142-F193 HydrophobicContact CG-CZ 4.01Å; M142-F193 HydrophobicContact SD-CB 3.87Å; M142-F193 HydrophobicContact SD-CD2 3.66Å; M142-F193 HydrophobicContact SD-CE2 4.39Å; M142-F193 HydrophobicContact SD-CG 3.81Å; L145-F193 HydrophobicContact CB-CZ 4.31Å; L145-F193 HydrophobicContact CD1-CE1 4.38Å; L145-F193 HydrophobicContact CD1-CZ 4.14Å; R146-F193 VanDerWaalsContact NH2-CE2 3.33Å; V167-F193 HydrophobicContact CG2-CD1 4.47Å; V167-F193 HydrophobicContact CG2-CE1 3.96Å; V167-F193 HydrophobicContact CG2-CZ 4.35Å; F181-F193 HydrophobicContact CB-CB 4.06Å; F181-F193 HydrophobicContact CB-CD1 3.96Å; F181-F193 HydrophobicContact CB-CG 4.42Å; F181-F193 HydrophobicContact CD1-CB 4.49Å; T183-F193 HydrophobicContact CG2-CD1 3.95Å; T183-F193 HydrophobicContact CG2-CD2 4.45Å; T183-F193 HydrophobicContact CG2-CE1 3.74Å; T183-F193 HydrophobicContact CG2-CE2 4.24Å; T183-F193 HydrophobicContact CG2-CG 4.3Å; T183-F193 HydrophobicContact CG2-CZ 3.88Å; P188-F193 HydrophobicContact CB-CZ 4.49Å
194	K	96.9	Very high	86.7	Confident	113 Å²	113	83.6 Å²	83.6	49%	0.491	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	126.7	-176.6	-60.8	159.2	-167.8	140.2	0	109.8	F181 F182 T183	F181-K194 WeakPolarHBondContact CA-O 3.45Å; F182-K194 PolarHBondContact N-O 3.01Å; F182-K194 PolarHBondContact O-N 3.26Å; T183-K194 PolarHBondContact O-NZ 3.38Å
195	P	96.2	Very high	85.7	Confident	82 Å²	82	83.5 Å²	83.5	53%	0.532	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	144.1	-179.5	30	-34.3	0	0	0	111.6	V179 H180 F181 F197	V179-P195 HydrophobicContact CG2-CB 4.07Å; H180-P195 CarbonylContact O-C 3.53Å; F181-P195 HydrophobicContact CD1-CB 4Å; F181-P195 HydrophobicContact CE1-CB 3.78Å; P195-F197 HydrophobicContact CB-CE2 4.42Å
196	F	94.1	Very high	85.1	Confident	101 Å²	101	81.6 Å²	81.6	44%	0.443	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	140.6	176.6	-170.3	-88.6	0	0	0	109.9	H180 F182 F198	H180-F196 PolarHBondContact N-O 3.43Å; H180-F196 WeakPolarHBondContact O-CA 3.29Å; H180-F196 WeakPolarHBondContact O-CB 3.43Å; H180-F196 PolarHBondContact O-N 2.93Å; F182-F196 HydrophobicContact CD2-CB 3.97Å; F182-F196 HydrophobicContact CE2-CB 3.83Å; F182-F196 HydrophobicContact CE2-CD1 4.48Å; F182-F196 HydrophobicContact CE2-CG 4.32Å; F196-F198 HydrophobicContact CD1-CD1 4.26Å; F196-F198 HydrophobicContact CD1-CD2 4.26Å; F196-F198 HydrophobicContact CD1-CE1 4.05Å; F196-F198 HydrophobicContact CD1-CE2 4.06Å; F196-F198 HydrophobicContact CD1-CG 4.34Å; F196-F198 AromaticContact CD1-CZ 3.93Å; F196-F198 HydrophobicContact CD1-CZ 3.93Å; F196-F198 AromaticContact CE1-CD1 3.53Å; F196-F198 HydrophobicContact CE1-CD1 3.53Å; F196-F198 HydrophobicContact CE1-CD2 4.31Å; F196-F198 AromaticContact CE1-CE1 3.44Å; F196-F198 HydrophobicContact CE1-CE1 3.44Å; F196-F198 VanDerWaalsContact CE1-CE1 3.44Å; F196-F198 HydrophobicContact CE1-CE2 4.26Å; F196-F198 AromaticContact CE1-CG 3.96Å; F196-F198 HydrophobicContact CE1-CG 3.96Å; F196-F198 AromaticContact CE1-CZ 3.83Å; F196-F198 HydrophobicContact CE1-CZ 3.83Å; F196-F198 HydrophobicContact CZ-CD1 4.5Å; F196-F198 HydrophobicContact CZ-CE1 4.37Å
197	F	91.4	Very high	84.6	Confident	113 Å²	113	83.4 Å²	83.4	50%	0.496	49%	0.492	S	S	.	.			trans	-123.3	125.1	178.6	-62.1	-92	0	0	0	108.9	P177 C178 V179 P195 S199	P177-F197 HydrophobicContact CB-CD1 4.22Å; P177-F197 HydrophobicContact CG-CD1 4.38Å; P177-F197 HydrophobicContact CG-CE1 4.3Å; C178-F197 WeakPolarHBondContact O-CD1 3.41Å; V179-F197 HydrophobicContact CB-CD1 4.21Å; V179-F197 HydrophobicContact CB-CE1 3.66Å; V179-F197 HydrophobicContact CB-CZ 4.05Å; V179-F197 HydrophobicContact CG2-CD1 4.44Å; V179-F197 HydrophobicContact CG2-CE1 3.84Å; V179-F197 HydrophobicContact CG2-CE2 4.21Å; V179-F197 HydrophobicContact CG2-CZ 3.7Å; P195-F197 HydrophobicContact CB-CE2 4.42Å; F197-S199 PolarHBondContact O-N 3.26Å
198	F	85.4	Confident	84.3	Confident	141 Å²	141	90.6 Å²	90.6	62%	0.618	52%	0.524	S	S	*	.			trans	-81.1	106.6	168.9	-64.1	-79	0	0	0	108.3	H180 F196	H180-F198 HydrophobicContact CB-CE2 4.42Å; H180-F198 AromaticContact CD2-CD2 3.31Å; H180-F198 WeakPolarHBondContact CD2-CD2 3.5Å; H180-F198 AromaticContact CD2-CE2 3.36Å; H180-F198 WeakPolarHBondContact CD2-CE2 3.46Å; H180-F198 AromaticContact CG-CE2 3.8Å; H180-F198 AromaticContact NE2-CD2 3.45Å; H180-F198 WeakPolarHBondContact NE2-CD2 3.32Å; H180-F198 AromaticContact NE2-CE2 3.71Å; F196-F198 HydrophobicContact CD1-CD1 4.26Å; F196-F198 HydrophobicContact CD1-CD2 4.26Å; F196-F198 HydrophobicContact CD1-CE1 4.05Å; F196-F198 HydrophobicContact CD1-CE2 4.06Å; F196-F198 HydrophobicContact CD1-CG 4.34Å; F196-F198 AromaticContact CD1-CZ 3.93Å; F196-F198 HydrophobicContact CD1-CZ 3.93Å; F196-F198 AromaticContact CE1-CD1 3.53Å; F196-F198 HydrophobicContact CE1-CD1 3.53Å; F196-F198 HydrophobicContact CE1-CD2 4.31Å; F196-F198 AromaticContact CE1-CE1 3.44Å; F196-F198 HydrophobicContact CE1-CE1 3.44Å; F196-F198 VanDerWaalsContact CE1-CE1 3.44Å; F196-F198 HydrophobicContact CE1-CE2 4.26Å; F196-F198 AromaticContact CE1-CG 3.96Å; F196-F198 HydrophobicContact CE1-CG 3.96Å; F196-F198 AromaticContact CE1-CZ 3.83Å; F196-F198 HydrophobicContact CE1-CZ 3.83Å; F196-F198 HydrophobicContact CZ-CD1 4.5Å; F196-F198 HydrophobicContact CZ-CE1 4.37Å
199	S	79.2	Confident	83.8	Confident	79 Å²	79	95.7 Å²	95.7	55%	0.552	56%	0.555	S	S	*	*			trans	-82	163	168.9	62.3	0	0	0	0	110.2	F197	F197-S199 PolarHBondContact O-N 3.26Å
200	T	75.2	Confident	83.4	Confident	110 Å²	110	97.1 Å²	97.1	68%	0.675	57%	0.569	S	S	*	*			trans	-50.7	145	160.8	38.5	0	0	0	0	109.3	T202	T200-T202 PolarHBondContact O-N 3.18Å; T200-T202 PolarHBondContact O-OG1 3.1Å
201	P	69	Low	83	Confident	128 Å²	128	94.6 Å²	94.6	83%	0.831	56%	0.563	S	S	*	*	S	Bend	trans	-65.4	87	-177.9	23	-30.1	0	0	0	110.1
202	T	67.5	Low	82.8	Confident	116 Å²	116	97.6 Å²	97.6	71%	0.712	58%	0.583	S	S	*	*			trans	-104.4	-19.9	167	55.6	0	0	0	0	110.5	T200	T200-T202 PolarHBondContact O-N 3.18Å; T200-T202 PolarHBondContact O-OG1 3.1Å
203	S	66.7	Low	82.5	Confident	89 Å²	89	102.2 Å²	102.2	62%	0.622	60%	0.602	S	S	*	*	S	Bend	trans	-81.5	118.9	176.3	39.2	0	0	0	0	110.8	G205	S203-G205 PolarHBondContact O-N 3.12Å
204	V	71.2	Confident	81.9	Confident	141 Å²	141	109.6 Å²	109.6	86%	0.855	63%	0.63	S	S	*	*	P	Polyproline II helix	trans	-67.9	127.1	158.3	-165.8	0	0	0	0	106.1	S206	V204-S206 PolarHBondContact O-N 3.37Å
205	G	71.7	Confident	81.4	Confident	53 Å²	53	109.8 Å²	109.8	55%	0.546	64%	0.643	S	S	.	*	P	Polyproline II helix	trans	-51.3	142.4	172.4	0	0	0	0	0	109.7	S203	S203-G205 PolarHBondContact O-N 3.12Å
206	S	80.7	Confident	80.8	Confident	50 Å²	50	110.2 Å²	110.2	35%	0.35	65%	0.653	S	S	.	*	P	Polyproline II helix	trans	-53.8	136.7	178.3	174.3	0	0	0	0	109.2	V204 H208 T209	V204-S206 PolarHBondContact O-N 3.37Å; S206-H208 PolarHBondContact O-N 3.39Å; S206-H208 WeakPolarHBondContact OG-CB 3.17Å; S206-H208 PolarHBondContact OG-CD2 3.34Å; S206-H208 PolarHBondContact OG-N 2.88Å; S206-T209 PolarHBondContact N-OG1 3.2Å; S206-T209 PolarHBondContact O-N 3.46Å; S206-T209 PolarHBondContact O-OG1 2.87Å
207	P	82	Confident	80.1	Confident	105 Å²	105	109.5 Å²	109.5	68%	0.682	66%	0.661	S	S	*	*	G	3₁₀ helix	trans	-57.1	-20.8	172.6	22.6	-31.5	0	0	0	111.8	T209	P207-T209 VanDerWaalsContact C-N 3.34Å
208	H	83.5	Confident	79.4	Confident	175 Å²	175	111.4 Å²	111.4	81%	0.81	68%	0.681	S	S	*	*	G	3₁₀ helix	trans	-78.6	-11.7	174.3	-53.7	-64	0	0	0	114.6	S206	S206-H208 PolarHBondContact O-N 3.39Å; S206-H208 WeakPolarHBondContact OG-CB 3.17Å; S206-H208 PolarHBondContact OG-CD2 3.34Å; S206-H208 PolarHBondContact OG-N 2.88Å
209	T	82.1	Confident	78.4	Confident	107 Å²	107	114.6 Å²	114.6	66%	0.656	71%	0.705	S	S	*	*	G	3₁₀ helix	trans	-102	3.4	176.1	55.9	0	0	0	0	112.9	S206 P207 S211	S206-T209 PolarHBondContact N-OG1 3.2Å; S206-T209 PolarHBondContact O-N 3.46Å; S206-T209 PolarHBondContact O-OG1 2.87Å; P207-T209 VanDerWaalsContact C-N 3.34Å; T209-S211 PolarHBondContact O-N 3.14Å
210	V	84	Confident	78.4	Confident	104 Å²	104	116.4 Å²	116.4	63%	0.63	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-70.4	119.5	175.7	179.6	0	0	0	0	108.3
211	S	83.6	Confident	78.6	Confident	93 Å²	93	116.7 Å²	116.7	65%	0.65	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-59.6	130.6	173.5	-175.7	0	0	0	0	109.4	T209 V213	T209-S211 PolarHBondContact O-N 3.14Å; S211-V213 PolarHBondContact O-N 3.17Å
212	P	86.1	Confident	79.1	Confident	77 Å²	77	116.1 Å²	116.1	50%	0.5	71%	0.708	S	S	.	*	P	Polyproline II helix	trans	-58.3	137.9	172.2	21	-29	0	0	0	110.1	Y214	P212-Y214 HydrophobicContact CB-CE2 4.07Å; P212-Y214 HydrophobicContact CG-CE2 3.6Å; P212-Y214 WeakPolarHBondContact CG-OH 3.33Å; P212-Y214 PolarHBondContact O-N 3.1Å
213	V	87.3	Confident	79.8	Confident	142 Å²	142	116.1 Å²	116.1	86%	0.861	71%	0.708	S	S	*	*			trans	-84.8	106	173.6	-177.5	0	0	0	0	107.3	S211	S211-V213 PolarHBondContact O-N 3.17Å
214	Y	86.1	Confident	80.6	Confident	182 Å²	182	117.8 Å²	117.8	71%	0.714	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-85.8	138.1	169.5	-61.3	-75.5	0	0	0	109.1	P212	P212-Y214 HydrophobicContact CB-CE2 4.07Å; P212-Y214 HydrophobicContact CG-CE2 3.6Å; P212-Y214 WeakPolarHBondContact CG-OH 3.33Å; P212-Y214 PolarHBondContact O-N 3.1Å
215	P	86.7	Confident	81.2	Confident	118 Å²	118	116.3 Å²	116.3	77%	0.766	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-56.8	144.6	168.4	23.6	-30.2	0	0	0	109.4	S217	P215-S217 PolarHBondContact O-N 3.22Å
216	A	82.9	Confident	81.9	Confident	91 Å²	91	120.8 Å²	120.8	75%	0.752	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-52.7	134.5	172.9	0	0	0	0	0	109.1	V218	A216-V218 PolarHBondContact O-N 3.03Å
217	S	80.3	Confident	82	Confident	86 Å²	86	126.2 Å²	126.2	60%	0.601	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-59.4	137.4	173	59.6	0	0	0	0	108.4	P215 D219	P215-S217 PolarHBondContact O-N 3.22Å; S217-D219 WeakPolarHBondContact CB-OD2 3.33Å; S217-D219 PolarHBondContact O-N 3.42Å; S217-D219 PolarHBondContact OG-OD2 2.67Å
218	V	76.8	Confident	82	Confident	152 Å²	152	128 Å²	128	92%	0.921	75%	0.748	S	S	*	*			trans	-84.4	68	173.8	-161	0	0	0	0	106.5	A216	A216-V218 PolarHBondContact O-N 3.03Å
219	D	64.7	Low	81.9	Confident	209 Å²	209	123.7 Å²	123.7	100%	1.118	74%	0.743	S	S	*	*			trans	-106.8	0	171.7	-55.4	-40.6	0	0	0	109.8	S217	S217-D219 WeakPolarHBondContact CB-OD2 3.33Å; S217-D219 PolarHBondContact O-N 3.42Å; S217-D219 PolarHBondContact OG-OD2 2.67Å

Retrieved 219 of 219 residues in 220.5 ms (Link to these results)

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