A0A061HWJ2_CRIGR Loading...

C-type lectin domain family 4, member n

AlphaFold DB , UniProt , Accession A0A061HWJ2, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Clec6a, Length 209 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	41.2	Very low	45.7	Very low	247 Å²	247	161.3 Å²	161.3	100%	1.217	85%	0.845	S	S	*	*				0	112.4	0	-75.7	170.7	-179.6	0	0	107.6
2	V	39.7	Very low	46.2	Very low	137 Å²	137	156.8 Å²	156.8	83%	0.83	83%	0.829	S	S	*	*			trans	-85.8	142.2	179.7	175.9	0	0	0	0	108.2
3	P	48.5	Very low	46.8	Very low	118 Å²	118	150.8 Å²	150.8	77%	0.766	81%	0.807	S	S	*	*			trans	-80.6	128.2	173.2	31.5	-29.8	0	0	0	110.6	R5	P3-R5 PolarHBondContact O-N 2.79Å
4	E	41.3	Very low	47.2	Very low	194 Å²	194	153.6 Å²	153.6	91%	0.907	80%	0.8	S	S	*	*			trans	-61.8	111.9	172.6	-158.2	94.6	-159.7	0	0	109.9	R6	E4-R6 PolarHBondContact O-N 3.25Å
5	R	39	Very low	48	Very low	243 Å²	243	146.6 Å²	146.6	92%	0.917	77%	0.769	S	S	*	*			trans	-82.1	106.1	173.8	-128.1	-169.7	-84.5	-162.4	-3.6	108.9	P3 S7	P3-R5 PolarHBondContact O-N 2.79Å; R5-S7 PolarHBondContact O-N 3.33Å
6	R	49	Very low	49.1	Very low	220 Å²	220	144.8 Å²	144.8	83%	0.83	76%	0.76	S	S	*	*			trans	-58.7	114.4	170	-131.2	179.4	-165.1	175.2	4.2	109.7	E4 Q8	E4-R6 PolarHBondContact O-N 3.25Å; R6-Q8 PolarHBondContact O-N 3.21Å
7	S	41.6	Very low	50.6	Low	125 Å²	125	146.8 Å²	146.8	87%	0.874	76%	0.755	S	S	*	*			trans	-88.2	94.3	167.6	176.2	0	0	0	0	109	R5	R5-S7 PolarHBondContact O-N 3.33Å
8	Q	54.2	Low	52	Low	170 Å²	170	145.3 Å²	145.3	79%	0.794	75%	0.748	S	S	*	*			trans	-118.4	132.3	162.7	-90.6	-172.7	-25.3	0	0	108.4	R6	R6-Q8 PolarHBondContact O-N 3.21Å
9	G	52.9	Low	53.4	Low	70 Å²	70	147.8 Å²	147.8	72%	0.722	75%	0.747	S	S	*	*			trans	124.2	55.7	161.8	0	0	0	0	0	116.5
10	K	48.1	Very low	54.9	Low	191 Å²	191	143.3 Å²	143.3	83%	0.83	73%	0.73	S	S	*	*	S	Bend	trans	-135	-13	161	-69.2	-168.6	178.9	179.8	0	115.8
11	G	47.7	Very low	56.4	Low	59 Å²	59	140.8 Å²	140.8	61%	0.608	72%	0.721	S	S	*	*	S	Bend	trans	-86.6	-22.7	-176.7	0	0	0	0	0	116.5	S15	G11-S15 PolarHBondContact O-OG 3.33Å
12	V	51.3	Low	58.7	Low	107 Å²	107	131.1 Å²	131.1	65%	0.648	68%	0.681	S	S	*	*	H	α-helix	trans	-80.5	-28	-169.3	-178.6	0	0	0	0	113.2	S15 L16	V12-S15 PolarHBondContact O-OG 3.09Å; V12-S15 VanDerWaalsContact O-OG 3.09Å; V12-L16 HydrophobicContact CG1-CD1 4.2Å; V12-L16 WeakPolarHBondContact O-CD1 3.43Å; V12-L16 PolarHBondContact O-N 3.09Å
13	C	54.6	Low	61.2	Low	80 Å²	80	128.3 Å²	128.3	54%	0.541	66%	0.663	S	S	.	*	H	α-helix	trans	-79.7	-31.6	-178	-168.3	0	0	0	0	112.7	R17	C13-R17 WeakPolarHBondContact O-CG 3.47Å; C13-R17 PolarHBondContact O-N 3.24Å
14	W	51.7	Low	63.2	Low	190 Å²	190	127.3 Å²	127.3	72%	0.72	65%	0.651	S	S	*	*	H	α-helix	trans	-74.7	-40.3	179.3	-77.6	82.1	0	0	0	112.3	R17 L18	W14-R17 PolarHBondContact O-N 2.91Å; W14-L18 WeakPolarHBondContact O-CD1 3.5Å; W14-L18 WeakPolarHBondContact O-CG 3.23Å; W14-L18 PolarHBondContact O-N 3.38Å
15	S	59.9	Low	65.5	Low	48 Å²	48	120.7 Å²	120.7	34%	0.336	63%	0.626	S	S	.	*	H	α-helix	trans	-62.3	-49.3	175.1	59.6	0	0	0	0	110.6	G11 V12 R17 L18 W19	G11-S15 PolarHBondContact O-OG 3.33Å; V12-S15 PolarHBondContact O-OG 3.09Å; V12-S15 VanDerWaalsContact O-OG 3.09Å; S15-R17 VanDerWaalsContact C-N 3.27Å; S15-R17 PolarHBondContact O-N 3.45Å; S15-L18 PolarHBondContact O-N 3.49Å; S15-L18 VanDerWaalsContact O-N 3.09Å; S15-W19 PolarHBondContact O-N 3.45Å
16	L	65.8	Low	68	Low	118 Å²	118	114.5 Å²	114.5	62%	0.618	61%	0.61	S	S	*	*	H	α-helix	trans	-56.9	-38.2	177.9	-106	104.3	0	0	0	113.4	V12 S20	V12-L16 HydrophobicContact CG1-CD1 4.2Å; V12-L16 WeakPolarHBondContact O-CD1 3.43Å; V12-L16 PolarHBondContact O-N 3.09Å; L16-S20 WeakPolarHBondContact O-CB 3.47Å; L16-S20 PolarHBondContact O-N 2.91Å; L16-S20 PolarHBondContact O-OG 3.02Å
17	R	73.4	Confident	70.2	Confident	178 Å²	178	109 Å²	109	67%	0.672	60%	0.597	S	S	*	*	H	α-helix	trans	-67.9	-40.6	175.7	-75.8	-173.9	-178.8	-155.2	-0.4	112.7	C13 W14 S15 S20 V21	C13-R17 WeakPolarHBondContact O-CG 3.47Å; C13-R17 PolarHBondContact O-N 3.24Å; W14-R17 PolarHBondContact O-N 2.91Å; S15-R17 VanDerWaalsContact C-N 3.27Å; S15-R17 PolarHBondContact O-N 3.45Å; R17-S20 VanDerWaalsContact CA-OG 3.29Å; R17-S20 WeakPolarHBondContact CA-OG 3.42Å; R17-S20 PolarHBondContact O-N 2.85Å; R17-S20 PolarHBondContact O-OG 3.38Å; R17-S20 VanDerWaalsContact O-OG 3.07Å; R17-V21 VanDerWaalsContact O-CG2 3.26Å; R17-V21 WeakPolarHBondContact O-CG2 3.27Å; R17-V21 PolarHBondContact O-N 3.28Å
18	L	75.8	Confident	72.7	Confident	120 Å²	120	107.6 Å²	107.6	63%	0.628	58%	0.578	S	S	*	*	H	α-helix	trans	-65.3	-42.8	175.6	-79	156.7	0	0	0	111.8	W14 S15 V21 A22	W14-L18 WeakPolarHBondContact O-CD1 3.5Å; W14-L18 WeakPolarHBondContact O-CG 3.23Å; W14-L18 PolarHBondContact O-N 3.38Å; S15-L18 PolarHBondContact O-N 3.49Å; S15-L18 VanDerWaalsContact O-N 3.09Å; L18-V21 PolarHBondContact O-N 3.09Å; L18-A22 WeakPolarHBondContact O-CB 3.5Å; L18-A22 PolarHBondContact O-N 2.91Å
19	W	79.5	Confident	74.5	Confident	193 Å²	193	105.2 Å²	105.2	73%	0.731	57%	0.57	S	S	*	*	H	α-helix	trans	-64.4	-41.2	176.3	-77.9	103	0	0	0	112.2	S15 A22 V23	S15-W19 PolarHBondContact O-N 3.45Å; W19-A22 PolarHBondContact O-N 2.96Å; W19-V23 VanDerWaalsContact O-CG2 3.27Å; W19-V23 WeakPolarHBondContact O-CG2 3.45Å; W19-V23 PolarHBondContact O-N 3.31Å
20	S	83.6	Confident	76.5	Confident	58 Å²	58	104.6 Å²	104.6	41%	0.406	56%	0.555	S	S	.	*	H	α-helix	trans	-67.8	-39.5	177.2	37	0	0	0	0	112.5	L16 R17 V23 I24	L16-S20 WeakPolarHBondContact O-CB 3.47Å; L16-S20 PolarHBondContact O-N 2.91Å; L16-S20 PolarHBondContact O-OG 3.02Å; R17-S20 VanDerWaalsContact CA-OG 3.29Å; R17-S20 WeakPolarHBondContact CA-OG 3.42Å; R17-S20 PolarHBondContact O-N 2.85Å; R17-S20 PolarHBondContact O-OG 3.38Å; R17-S20 VanDerWaalsContact O-OG 3.07Å; S20-V23 PolarHBondContact O-N 3.44Å; S20-I24 WeakPolarHBondContact O-CB 3.28Å; S20-I24 WeakPolarHBondContact O-CD1 3.41Å; S20-I24 WeakPolarHBondContact O-CG1 3.26Å; S20-I24 PolarHBondContact O-N 3.07Å
21	V	86.6	Confident	78.7	Confident	91 Å²	91	99.6 Å²	99.6	55%	0.552	54%	0.54	S	S	*	.	H	α-helix	trans	-62.4	-45	172.6	172.9	0	0	0	0	111.1	R17 L18 V23 I24 S25	R17-V21 VanDerWaalsContact O-CG2 3.26Å; R17-V21 WeakPolarHBondContact O-CG2 3.27Å; R17-V21 PolarHBondContact O-N 3.28Å; L18-V21 PolarHBondContact O-N 3.09Å; V21-V23 PolarHBondContact O-N 2.95Å; V21-I24 PolarHBondContact O-N 3.32Å; V21-S25 WeakPolarHBondContact O-CB 3.29Å; V21-S25 PolarHBondContact O-N 3.47Å; V21-S25 PolarHBondContact O-OG 3.4Å; V21-S25 VanDerWaalsContact O-OG 3.09Å
22	A	88.1	Confident	80.8	Confident	44 Å²	44	100 Å²	100	36%	0.364	53%	0.533	S	S	.	.	H	α-helix	trans	-62.2	-43	178.7	0	0	0	0	0	112.6	L18 W19 S25 I26	L18-A22 WeakPolarHBondContact O-CB 3.5Å; L18-A22 PolarHBondContact O-N 2.91Å; W19-A22 PolarHBondContact O-N 2.96Å; A22-S25 PolarHBondContact O-N 3Å; A22-I26 WeakPolarHBondContact O-CB 3.22Å; A22-I26 WeakPolarHBondContact O-CD1 3.27Å; A22-I26 VanDerWaalsContact O-CG1 3.23Å; A22-I26 WeakPolarHBondContact O-CG1 3.49Å; A22-I26 PolarHBondContact O-N 2.94Å
23	V	92	Very high	82.8	Confident	77 Å²	77	101.6 Å²	101.6	47%	0.467	53%	0.532	S	S	.	.	H	α-helix	trans	-63.8	-43.9	176.9	170.9	0	0	0	0	111	W19 S20 V21 S25 I26 L27	W19-V23 VanDerWaalsContact O-CG2 3.27Å; W19-V23 WeakPolarHBondContact O-CG2 3.45Å; W19-V23 PolarHBondContact O-N 3.31Å; S20-V23 PolarHBondContact O-N 3.44Å; V21-V23 PolarHBondContact O-N 2.95Å; V23-S25 PolarHBondContact O-N 3.48Å; V23-I26 PolarHBondContact O-N 3.35Å; V23-L27 HydrophobicContact CG1-CD1 3.99Å; V23-L27 HydrophobicContact CG1-CG 4.41Å; V23-L27 WeakPolarHBondContact O-CB 3.47Å; V23-L27 VanDerWaalsContact O-CG 3.27Å; V23-L27 WeakPolarHBondContact O-CG 3.26Å; V23-L27 PolarHBondContact O-N 3.02Å
24	I	90.4	Very high	84.6	Confident	97 Å²	97	102.2 Å²	102.2	50%	0.497	53%	0.528	S	S	.	.	H	α-helix	trans	-62.1	-44.3	176.7	-68.5	164.8	0	0	0	110.5	S20 V21 I26 L27 I28	S20-I24 WeakPolarHBondContact O-CB 3.28Å; S20-I24 WeakPolarHBondContact O-CD1 3.41Å; S20-I24 WeakPolarHBondContact O-CG1 3.26Å; S20-I24 PolarHBondContact O-N 3.07Å; V21-I24 PolarHBondContact O-N 3.32Å; I24-I26 PolarHBondContact O-N 3.49Å; I24-L27 PolarHBondContact O-N 2.64Å; I24-I28 HydrophobicContact CG2-CD1 3.72Å; I24-I28 HydrophobicContact CG2-CG1 4.42Å; I24-I28 VanDerWaalsContact O-CG1 3.26Å; I24-I28 WeakPolarHBondContact O-CG1 3.44Å; I24-I28 PolarHBondContact O-N 3.48Å
25	S	89.6	Confident	86.5	Confident	56 Å²	56	95.8 Å²	95.8	39%	0.392	52%	0.516	S	S	.	.	H	α-helix	trans	-62	-42.2	176.8	-63.7	0	0	0	0	112.5	V21 A22 V23 I28 L29	V21-S25 WeakPolarHBondContact O-CB 3.29Å; V21-S25 PolarHBondContact O-N 3.47Å; V21-S25 PolarHBondContact O-OG 3.4Å; V21-S25 VanDerWaalsContact O-OG 3.09Å; A22-S25 PolarHBondContact O-N 3Å; V23-S25 PolarHBondContact O-N 3.48Å; S25-I28 PolarHBondContact O-N 2.92Å; S25-L29 WeakPolarHBondContact O-CB 3.41Å; S25-L29 VanDerWaalsContact O-CG 3.28Å; S25-L29 WeakPolarHBondContact O-CG 3.37Å; S25-L29 PolarHBondContact O-N 3.32Å
26	I	93.1	Very high	88	Confident	112 Å²	112	97.7 Å²	97.7	57%	0.574	53%	0.525	S	S	*	.	H	α-helix	trans	-64.8	-42	177	-69.4	163.9	0	0	0	110.9	A22 V23 I24 L29 S30	A22-I26 WeakPolarHBondContact O-CB 3.22Å; A22-I26 WeakPolarHBondContact O-CD1 3.27Å; A22-I26 VanDerWaalsContact O-CG1 3.23Å; A22-I26 WeakPolarHBondContact O-CG1 3.49Å; A22-I26 PolarHBondContact O-N 2.94Å; V23-I26 PolarHBondContact O-N 3.35Å; I24-I26 PolarHBondContact O-N 3.49Å; I26-L29 PolarHBondContact O-N 3.03Å; I26-S30 VanDerWaalsContact O-CB 3.27Å; I26-S30 WeakPolarHBondContact O-CB 3.27Å; I26-S30 PolarHBondContact O-N 3.48Å
27	L	93.6	Very high	89.1	Confident	106 Å²	106	94.5 Å²	94.5	56%	0.555	51%	0.512	S	S	*	.	H	α-helix	trans	-62.6	-45.3	176.8	-72.4	172.5	0	0	0	111.2	V23 I24 S30 T31	V23-L27 HydrophobicContact CG1-CD1 3.99Å; V23-L27 HydrophobicContact CG1-CG 4.41Å; V23-L27 WeakPolarHBondContact O-CB 3.47Å; V23-L27 VanDerWaalsContact O-CG 3.27Å; V23-L27 WeakPolarHBondContact O-CG 3.26Å; V23-L27 PolarHBondContact O-N 3.02Å; I24-L27 PolarHBondContact O-N 2.64Å; L27-S30 PolarHBondContact O-N 2.9Å; L27-T31 VanDerWaalsContact O-CG2 3.29Å; L27-T31 WeakPolarHBondContact O-CG2 3.47Å; L27-T31 PolarHBondContact O-N 3.23Å; L27-T31 PolarHBondContact O-OG1 2.93Å
28	I	94.1	Very high	89.7	Confident	94 Å²	94	89.2 Å²	89.2	48%	0.482	50%	0.5	S	S	.	.	H	α-helix	trans	-61.1	-48.7	177.1	-68.3	166.8	0	0	0	110.5	I24 S25 S30 T31 C32	I24-I28 HydrophobicContact CG2-CD1 3.72Å; I24-I28 HydrophobicContact CG2-CG1 4.42Å; I24-I28 VanDerWaalsContact O-CG1 3.26Å; I24-I28 WeakPolarHBondContact O-CG1 3.44Å; I24-I28 PolarHBondContact O-N 3.48Å; S25-I28 PolarHBondContact O-N 2.92Å; I28-S30 VanDerWaalsContact C-N 3.34Å; I28-S30 PolarHBondContact O-N 3.28Å; I28-T31 WeakPolarHBondContact CA-OG1 3.29Å; I28-T31 PolarHBondContact O-N 2.88Å; I28-T31 PolarHBondContact O-OG1 3.32Å; I28-C32 WeakPolarHBondContact O-CB 3.4Å; I28-C32 PolarHBondContact O-N 3.41Å; I28-C32 PolarHBondContact O-SG 2.88Å; I28-C32 VanDerWaalsContact O-SG 3.35Å
29	L	93.4	Very high	90.1	Very high	121 Å²	121	87.8 Å²	87.8	63%	0.634	50%	0.496	S	S	*	.	H	α-helix	trans	-61.7	-41.6	179.3	-72.6	174	0	0	0	112.2	S25 I26 C32 F33	S25-L29 WeakPolarHBondContact O-CB 3.41Å; S25-L29 VanDerWaalsContact O-CG 3.28Å; S25-L29 WeakPolarHBondContact O-CG 3.37Å; S25-L29 PolarHBondContact O-N 3.32Å; I26-L29 PolarHBondContact O-N 3.03Å; L29-C32 PolarHBondContact O-N 2.92Å; L29-F33 WeakPolarHBondContact O-CB 3.25Å; L29-F33 PolarHBondContact O-N 3.39Å
30	S	94.1	Very high	90.1	Very high	57 Å²	57	82.4 Å²	82.4	40%	0.399	49%	0.485	S	S	.	.	H	α-helix	trans	-62.2	-46.6	175.1	-178.3	0	0	0	0	111.4	I26 L27 I28 C32 F33 I34	I26-S30 VanDerWaalsContact O-CB 3.27Å; I26-S30 WeakPolarHBondContact O-CB 3.27Å; I26-S30 PolarHBondContact O-N 3.48Å; L27-S30 PolarHBondContact O-N 2.9Å; I28-S30 VanDerWaalsContact C-N 3.34Å; I28-S30 PolarHBondContact O-N 3.28Å; S30-C32 VanDerWaalsContact C-N 3.34Å; S30-C32 PolarHBondContact O-N 3.37Å; S30-F33 PolarHBondContact O-N 3.43Å; S30-I34 WeakPolarHBondContact O-CB 3.31Å; S30-I34 VanDerWaalsContact O-CG1 3.25Å; S30-I34 WeakPolarHBondContact O-CG1 3.15Å; S30-I34 PolarHBondContact O-N 2.84Å
31	T	93.9	Very high	89.8	Confident	85 Å²	85	86.8 Å²	86.8	52%	0.521	49%	0.493	S	S	.	.	H	α-helix	trans	-63.2	-39	177.3	55.7	0	0	0	0	112.6	L27 I28 A35	L27-T31 VanDerWaalsContact O-CG2 3.29Å; L27-T31 WeakPolarHBondContact O-CG2 3.47Å; L27-T31 PolarHBondContact O-N 3.23Å; L27-T31 PolarHBondContact O-OG1 2.93Å; I28-T31 WeakPolarHBondContact CA-OG1 3.29Å; I28-T31 PolarHBondContact O-N 2.88Å; I28-T31 PolarHBondContact O-OG1 3.32Å; T31-A35 VanDerWaalsContact O-CB 3.32Å; T31-A35 WeakPolarHBondContact O-CB 3.26Å; T31-A35 PolarHBondContact O-N 3.31Å
32	C	93.3	Very high	89	Confident	67 Å²	67	88.4 Å²	88.4	45%	0.453	50%	0.495	S	S	.	.	H	α-helix	trans	-64.4	-47.1	175.2	-73.7	0	0	0	0	110.9	I28 L29 S30 I34 A35 T36	I28-C32 WeakPolarHBondContact O-CB 3.4Å; I28-C32 PolarHBondContact O-N 3.41Å; I28-C32 PolarHBondContact O-SG 2.88Å; I28-C32 VanDerWaalsContact O-SG 3.35Å; L29-C32 PolarHBondContact O-N 2.92Å; S30-C32 VanDerWaalsContact C-N 3.34Å; S30-C32 PolarHBondContact O-N 3.37Å; C32-I34 PolarHBondContact O-N 3.32Å; C32-A35 PolarHBondContact O-N 3.48Å; C32-T36 PolarHBondContact O-N 2.95Å; C32-T36 PolarHBondContact O-OG1 2.88Å
33	F	93.2	Very high	87.8	Confident	142 Å²	142	94.8 Å²	94.8	62%	0.623	52%	0.515	S	S	*	.	H	α-helix	trans	-60.7	-46.3	178.2	-177.3	-101.2	0	0	0	111.9	L29 S30 A35 T36 C37	L29-F33 WeakPolarHBondContact O-CB 3.25Å; L29-F33 PolarHBondContact O-N 3.39Å; S30-F33 PolarHBondContact O-N 3.43Å; F33-A35 PolarHBondContact O-N 3.14Å; F33-T36 PolarHBondContact O-N 3.33Å; F33-C37 VanDerWaalsContact CE1-SG 3.58Å; F33-C37 VanDerWaalsContact CZ-SG 3.56Å; F33-C37 WeakPolarHBondContact O-CB 3.48Å; F33-C37 PolarHBondContact O-N 3.49Å; F33-C37 PolarHBondContact O-SG 2.78Å; F33-C37 VanDerWaalsContact O-SG 3.33Å
34	I	92.5	Very high	86.4	Confident	93 Å²	93	95.8 Å²	95.8	48%	0.477	53%	0.525	S	S	.	.	H	α-helix	trans	-61	-45.6	176.8	-67.1	165.4	0	0	0	110.5	S30 C32 T36 C37 V38	S30-I34 WeakPolarHBondContact O-CB 3.31Å; S30-I34 VanDerWaalsContact O-CG1 3.25Å; S30-I34 WeakPolarHBondContact O-CG1 3.15Å; S30-I34 PolarHBondContact O-N 2.84Å; C32-I34 PolarHBondContact O-N 3.32Å; I34-T36 PolarHBondContact O-N 3.29Å; I34-C37 PolarHBondContact O-N 3.45Å; I34-V38 HydrophobicContact CG2-CG2 4.27Å; I34-V38 WeakPolarHBondContact O-CB 3.15Å; I34-V38 VanDerWaalsContact O-CG2 3.26Å; I34-V38 WeakPolarHBondContact O-CG2 3.24Å; I34-V38 PolarHBondContact O-N 2.93Å
35	A	91.3	Very high	84.7	Confident	55 Å²	55	96.6 Å²	96.6	46%	0.455	53%	0.528	S	S	.	.	H	α-helix	trans	-61.6	-44.7	177.6	0	0	0	0	0	111.7	T31 C32 F33 V38 V39	T31-A35 VanDerWaalsContact O-CB 3.32Å; T31-A35 WeakPolarHBondContact O-CB 3.26Å; T31-A35 PolarHBondContact O-N 3.31Å; C32-A35 PolarHBondContact O-N 3.48Å; F33-A35 PolarHBondContact O-N 3.14Å; A35-V38 PolarHBondContact O-N 2.88Å; A35-V39 WeakPolarHBondContact O-CB 3.4Å; A35-V39 VanDerWaalsContact O-CG2 3.25Å; A35-V39 WeakPolarHBondContact O-CG2 3.09Å; A35-V39 PolarHBondContact O-N 3.46Å
36	T	90.2	Very high	83	Confident	87 Å²	87	98.2 Å²	98.2	53%	0.534	53%	0.532	S	S	.	.	H	α-helix	trans	-60.6	-47.3	175.4	-55.3	0	0	0	0	111.1	C32 F33 I34 V38 V39 T40	C32-T36 PolarHBondContact O-N 2.95Å; C32-T36 PolarHBondContact O-OG1 2.88Å; F33-T36 PolarHBondContact O-N 3.33Å; I34-T36 PolarHBondContact O-N 3.29Å; T36-V38 PolarHBondContact O-N 2.86Å; T36-V39 PolarHBondContact O-N 3.35Å; T36-T40 HydrophobicContact CG2-CG2 4.48Å; T36-T40 WeakPolarHBondContact O-CG2 3.47Å; T36-T40 PolarHBondContact O-N 3.44Å; T36-T40 PolarHBondContact O-OG1 3.49Å
37	C	88.5	Confident	81.3	Confident	51 Å²	51	99 Å²	99	35%	0.345	53%	0.532	S	S	.	.	H	α-helix	trans	-59.5	-45.2	177	-74.5	0	0	0	0	112.1	F33 I34 T40 Y41	F33-C37 VanDerWaalsContact CE1-SG 3.58Å; F33-C37 VanDerWaalsContact CZ-SG 3.56Å; F33-C37 WeakPolarHBondContact O-CB 3.48Å; F33-C37 PolarHBondContact O-N 3.49Å; F33-C37 PolarHBondContact O-SG 2.78Å; F33-C37 VanDerWaalsContact O-SG 3.33Å; I34-C37 PolarHBondContact O-N 3.45Å; C37-T40 VanDerWaalsContact CA-OG1 3.31Å; C37-T40 WeakPolarHBondContact CA-OG1 3.38Å; C37-T40 PolarHBondContact O-N 3.3Å; C37-T40 PolarHBondContact O-OG1 3.29Å; C37-Y41 WeakPolarHBondContact O-CB 3.44Å; C37-Y41 PolarHBondContact O-N 3.39Å
38	V	87.4	Confident	79.5	Confident	68 Å²	68	97.5 Å²	97.5	41%	0.412	53%	0.528	S	S	.	.	H	α-helix	trans	-63	-44.5	177.5	170.3	0	0	0	0	110.8	I34 A35 T36 Y41 Q42	I34-V38 HydrophobicContact CG2-CG2 4.27Å; I34-V38 WeakPolarHBondContact O-CB 3.15Å; I34-V38 VanDerWaalsContact O-CG2 3.26Å; I34-V38 WeakPolarHBondContact O-CG2 3.24Å; I34-V38 PolarHBondContact O-N 2.93Å; A35-V38 PolarHBondContact O-N 2.88Å; T36-V38 PolarHBondContact O-N 2.86Å; V38-Y41 PolarHBondContact O-N 2.9Å; V38-Q42 HydrophobicContact CG1-CG 4.24Å; V38-Q42 VanDerWaalsContact O-CB 3.29Å; V38-Q42 WeakPolarHBondContact O-CB 3.32Å; V38-Q42 VanDerWaalsContact O-CG 3.24Å; V38-Q42 WeakPolarHBondContact O-CG 3.42Å; V38-Q42 PolarHBondContact O-N 2.85Å
39	V	83.3	Confident	77.8	Confident	90 Å²	90	98.1 Å²	98.1	55%	0.545	53%	0.532	S	S	.	.	H	α-helix	trans	-63.6	-45.7	177.2	170.6	0	0	0	0	110.9	A35 T36 Y41 Q42 F43	A35-V39 WeakPolarHBondContact O-CB 3.4Å; A35-V39 VanDerWaalsContact O-CG2 3.25Å; A35-V39 WeakPolarHBondContact O-CG2 3.09Å; A35-V39 PolarHBondContact O-N 3.46Å; T36-V39 PolarHBondContact O-N 3.35Å; V39-Y41 VanDerWaalsContact C-N 3.31Å; V39-Y41 PolarHBondContact O-N 2.67Å; V39-Q42 PolarHBondContact O-N 3.41Å; V39-F43 VanDerWaalsContact O-CB 3.27Å; V39-F43 WeakPolarHBondContact O-CB 3.46Å; V39-F43 PolarHBondContact O-N 3.47Å
40	T	79.9	Confident	76.2	Confident	80 Å²	80	95.4 Å²	95.4	49%	0.491	52%	0.521	S	S	.	.	H	α-helix	trans	-65.9	-34.6	176.4	50.4	0	0	0	0	112.4	T36 C37 S44	T36-T40 HydrophobicContact CG2-CG2 4.48Å; T36-T40 WeakPolarHBondContact O-CG2 3.47Å; T36-T40 PolarHBondContact O-N 3.44Å; T36-T40 PolarHBondContact O-OG1 3.49Å; C37-T40 VanDerWaalsContact CA-OG1 3.31Å; C37-T40 WeakPolarHBondContact CA-OG1 3.38Å; C37-T40 PolarHBondContact O-N 3.3Å; C37-T40 PolarHBondContact O-OG1 3.29Å; T40-S44 WeakPolarHBondContact O-CB 3.05Å; T40-S44 PolarHBondContact O-N 2.86Å
41	Y	77.7	Confident	74.7	Confident	149 Å²	149	99.6 Å²	99.6	58%	0.584	53%	0.528	S	S	*	.	H	α-helix	trans	-70.7	-44.4	176.7	179.9	-97.7	0	0	0	111.2	C37 V38 V39 F43 S44 M45	C37-Y41 WeakPolarHBondContact O-CB 3.44Å; C37-Y41 PolarHBondContact O-N 3.39Å; V38-Y41 PolarHBondContact O-N 2.9Å; V39-Y41 VanDerWaalsContact C-N 3.31Å; V39-Y41 PolarHBondContact O-N 2.67Å; Y41-F43 VanDerWaalsContact C-N 3.33Å; Y41-F43 PolarHBondContact O-N 2.92Å; Y41-S44 PolarHBondContact O-N 2.84Å; Y41-M45 HydrophobicContact CE1-CG 4.27Å; Y41-M45 HydrophobicContact CE2-CE 4.42Å; Y41-M45 HydrophobicContact CE2-CG 4.11Å; Y41-M45 VanDerWaalsContact O-CB 3.32Å; Y41-M45 WeakPolarHBondContact O-CB 3.45Å; Y41-M45 PolarHBondContact O-N 2.87Å
42	Q	70.3	Confident	73.4	Confident	125 Å²	125	97.3 Å²	97.3	58%	0.584	51%	0.512	S	S	*	.	H	α-helix	trans	-62.7	-39.9	174.8	-76.2	176.4	-23.5	0	0	111.7	V38 V39 M45 D46	V38-Q42 HydrophobicContact CG1-CG 4.24Å; V38-Q42 VanDerWaalsContact O-CB 3.29Å; V38-Q42 WeakPolarHBondContact O-CB 3.32Å; V38-Q42 VanDerWaalsContact O-CG 3.24Å; V38-Q42 WeakPolarHBondContact O-CG 3.42Å; V38-Q42 PolarHBondContact O-N 2.85Å; V39-Q42 PolarHBondContact O-N 3.41Å; Q42-M45 CarbonylContact O-C 3.59Å; Q42-M45 VanDerWaalsContact O-C 3.26Å; Q42-M45 PolarHBondContact O-N 3.42Å; Q42-D46 PolarHBondContact O-N 2.04Å; Q42-D46 VanDerWaalsContact O-N 3.1Å
43	F	62.8	Low	72.1	Confident	179 Å²	179	97.7 Å²	97.7	79%	0.785	52%	0.516	S	S	*	.	H	α-helix	trans	-69.6	-38.4	175.2	-169.5	-97	0	0	0	112.2	V39 Y41 M45 D46	V39-F43 VanDerWaalsContact O-CB 3.27Å; V39-F43 WeakPolarHBondContact O-CB 3.46Å; V39-F43 PolarHBondContact O-N 3.47Å; Y41-F43 VanDerWaalsContact C-N 3.33Å; Y41-F43 PolarHBondContact O-N 2.92Å; F43-M45 VanDerWaalsContact C-N 3.28Å; F43-M45 PolarHBondContact O-N 2.73Å; F43-D46 PolarHBondContact O-N 3.35Å
44	S	61.1	Low	70.9	Confident	97 Å²	97	97.3 Å²	97.3	68%	0.678	52%	0.516	S	S	*	.	H	α-helix	trans	-72.5	-21.3	176.2	-170.6	0	0	0	0	113.3	T40 Y41	T40-S44 WeakPolarHBondContact O-CB 3.05Å; T40-S44 PolarHBondContact O-N 2.86Å; Y41-S44 PolarHBondContact O-N 2.84Å
45	M	55.7	Low	69.7	Low	114 Å²	114	93.8 Å²	93.8	56%	0.562	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.4	33.5	174.5	-69.9	-74.6	178.2	0	0	110.7	Y41 Q42 F43 K47	Y41-M45 HydrophobicContact CE1-CG 4.27Å; Y41-M45 HydrophobicContact CE2-CE 4.42Å; Y41-M45 HydrophobicContact CE2-CG 4.11Å; Y41-M45 VanDerWaalsContact O-CB 3.32Å; Y41-M45 WeakPolarHBondContact O-CB 3.45Å; Y41-M45 PolarHBondContact O-N 2.87Å; Q42-M45 CarbonylContact O-C 3.59Å; Q42-M45 VanDerWaalsContact O-C 3.26Å; Q42-M45 PolarHBondContact O-N 3.42Å; F43-M45 VanDerWaalsContact C-N 3.28Å; F43-M45 PolarHBondContact O-N 2.73Å; M45-K47 PolarHBondContact O-N 2.96Å
46	D	53.2	Low	68.5	Low	90 Å²	90	96.1 Å²	96.1	48%	0.481	50%	0.499	S	S	.	.			trans	-56.9	114.6	162.9	-172.2	36.2	0	0	0	107.5	Q42 F43 R51	Q42-D46 PolarHBondContact O-N 2.04Å; Q42-D46 VanDerWaalsContact O-N 3.1Å; F43-D46 PolarHBondContact O-N 3.35Å; D46-R51 IonicContact OD2-NE 3.85Å; D46-R51 IonicContact OD2-NH2 3.9Å
47	K	57.3	Low	67.5	Low	130 Å²	130	96.2 Å²	96.2	57%	0.565	51%	0.509	S	S	*	.			trans	-64.6	132.2	-157.6	-91.5	177.3	176.9	-179.1	0	111.7	M45 D49 T50	M45-K47 PolarHBondContact O-N 2.96Å; K47-D49 HydrophobicContact CB-CB 4.43Å; K47-D49 PolarHBondContact O-N 2.88Å; K47-D49 VanDerWaalsContact O-N 3.16Å; K47-T50 WeakPolarHBondContact CB-OG1 3.32Å; K47-T50 PolarHBondContact O-N 2.89Å; K47-T50 PolarHBondContact O-OG1 2.87Å
48	P	56	Low	66.4	Low	74 Å²	74	99.2 Å²	99.2	48%	0.481	51%	0.514	S	S	.	.	H	α-helix	trans	-55	-31.6	168.4	11.2	-18.6	0	0	0	112.5	T50 R51 L52	P48-T50 VanDerWaalsContact C-N 3.34Å; P48-T50 PolarHBondContact O-N 2.79Å; P48-R51 PolarHBondContact O-N 3.49Å; P48-L52 WeakPolarHBondContact O-CB 3.27Å; P48-L52 PolarHBondContact O-N 2.85Å
49	D	58.7	Low	65.7	Low	107 Å²	107	96.7 Å²	96.7	57%	0.572	50%	0.497	S	S	*	.	H	α-helix	trans	-60.4	-36.1	175	-74.2	-28.4	0	0	0	113.7	K47 S53	K47-D49 HydrophobicContact CB-CB 4.43Å; K47-D49 PolarHBondContact O-N 2.88Å; K47-D49 VanDerWaalsContact O-N 3.16Å; D49-S53 VanDerWaalsContact O-CB 3.31Å; D49-S53 WeakPolarHBondContact O-CB 3.25Å; D49-S53 PolarHBondContact O-N 3.42Å; D49-S53 PolarHBondContact O-OG 3.29Å
50	T	59.5	Low	65.3	Low	63 Å²	63	98.6 Å²	98.6	39%	0.387	51%	0.514	S	S	.	.	H	α-helix	trans	-71.9	-44.6	-179.1	-23.8	0	0	0	0	110.6	K47 P48 L52 S53 E54	K47-T50 WeakPolarHBondContact CB-OG1 3.32Å; K47-T50 PolarHBondContact O-N 2.89Å; K47-T50 PolarHBondContact O-OG1 2.87Å; P48-T50 VanDerWaalsContact C-N 3.34Å; P48-T50 PolarHBondContact O-N 2.79Å; T50-L52 VanDerWaalsContact C-N 3.34Å; T50-L52 PolarHBondContact O-N 2.87Å; T50-S53 WeakPolarHBondContact O-CB 3.45Å; T50-S53 PolarHBondContact O-N 3.25Å; T50-S53 VanDerWaalsContact O-N 3.17Å; T50-E54 WeakPolarHBondContact O-CG 3.24Å; T50-E54 PolarHBondContact O-N 3.44Å
51	R	63.5	Low	65.5	Low	146 Å²	146	97.5 Å²	97.5	55%	0.551	51%	0.51	S	S	*	.	H	α-helix	trans	-65.4	-37	176.6	-67.9	-170.4	-179.8	-163.1	-0.5	112.5	D46 P48 S53 L55	D46-R51 IonicContact OD2-NE 3.85Å; D46-R51 IonicContact OD2-NH2 3.9Å; P48-R51 PolarHBondContact O-N 3.49Å; R51-S53 VanDerWaalsContact C-N 3.34Å; R51-L55 WeakPolarHBondContact O-CB 3.29Å; R51-L55 PolarHBondContact O-N 3.39Å
52	L	66.5	Low	66	Low	36 Å²	36	92.2 Å²	92.2	19%	0.188	49%	0.492	C	S	.	.	H	α-helix	trans	-66.9	-37.9	173.8	-174.5	62	0	0	0	111.5	P48 T50 L55 H56 L62 L209	P48-L52 WeakPolarHBondContact O-CB 3.27Å; P48-L52 PolarHBondContact O-N 2.85Å; T50-L52 VanDerWaalsContact C-N 3.34Å; T50-L52 PolarHBondContact O-N 2.87Å; L52-L55 PolarHBondContact O-N 3.15Å; L52-H56 WeakPolarHBondContact O-CB 3.31Å; L52-H56 PolarHBondContact O-N 3.38Å; L52-L62 HydrophobicContact CD1-CD1 3.53Å; L52-L209 HydrophobicContact CB-CD2 4.46Å; L52-L209 HydrophobicContact CD1-CD1 4.36Å; L52-L209 HydrophobicContact CD1-CD2 4.38Å; L52-L209 HydrophobicContact CD2-CD1 4.47Å; L52-L209 HydrophobicContact CD2-CD2 4.14Å
53	S	65.9	Low	67	Low	76 Å²	76	89 Å²	89	53%	0.531	48%	0.481	S	S	.	.	H	α-helix	trans	-66.7	-41.7	176	-59.9	0	0	0	0	112.4	D49 T50 R51 H56 A57	D49-S53 VanDerWaalsContact O-CB 3.31Å; D49-S53 WeakPolarHBondContact O-CB 3.25Å; D49-S53 PolarHBondContact O-N 3.42Å; D49-S53 PolarHBondContact O-OG 3.29Å; T50-S53 WeakPolarHBondContact O-CB 3.45Å; T50-S53 PolarHBondContact O-N 3.25Å; T50-S53 VanDerWaalsContact O-N 3.17Å; R51-S53 VanDerWaalsContact C-N 3.34Å; S53-H56 PolarHBondContact O-N 3.1Å; S53-A57 PolarHBondContact O-N 3.44Å
54	E	67.6	Low	68.3	Low	133 Å²	133	82.8 Å²	82.8	62%	0.621	46%	0.459	S	S	*	.	H	α-helix	trans	-64.7	-42.5	174.1	-73	176.1	167.7	0	0	111.8	T50 H56 A57 Y58	T50-E54 WeakPolarHBondContact O-CG 3.24Å; T50-E54 PolarHBondContact O-N 3.44Å; E54-H56 VanDerWaalsContact C-N 3.34Å; E54-H56 PolarHBondContact O-N 2.94Å; E54-A57 VanDerWaalsContact O-CB 3.29Å; E54-A57 WeakPolarHBondContact O-CB 3.24Å; E54-A57 PolarHBondContact O-N 3.48Å; E54-A57 VanDerWaalsContact O-N 3.11Å; E54-Y58 PolarHBondContact O-N 2.69Å
55	L	66.3	Low	69.6	Low	19 Å²	19	82.5 Å²	82.5	10%	0.099	45%	0.446	C	S	.	.	H	α-helix	trans	-65.8	-37.3	176.6	-167	69.5	0	0	0	111.9	R51 L52 A57 Y58 H59 L62 P80 M204 T207	R51-L55 WeakPolarHBondContact O-CB 3.29Å; R51-L55 PolarHBondContact O-N 3.39Å; L52-L55 PolarHBondContact O-N 3.15Å; L55-A57 VanDerWaalsContact C-N 3.29Å; L55-A57 PolarHBondContact O-N 3.28Å; L55-Y58 PolarHBondContact O-N 3Å; L55-H59 PolarHBondContact O-N 3.32Å; L55-L62 HydrophobicContact CD2-CD1 3.8Å; L55-L62 HydrophobicContact CD2-CD2 3.33Å; L55-L62 HydrophobicContact CD2-CG 4.22Å; L55-L62 HydrophobicContact CG-CD1 4.47Å; L55-L62 HydrophobicContact CG-CD2 3.8Å; L55-P80 HydrophobicContact CD1-CG 4.44Å; L55-M204 HydrophobicContact CD1-SD 4.04Å; L55-T207 WeakPolarHBondContact CD2-OG1 3.34Å
56	H	67.9	Low	70.9	Confident	104 Å²	104	80.6 Å²	80.6	48%	0.481	44%	0.444	S	S	.	.	H	α-helix	trans	-66.7	-27.6	172	-78.2	159.6	0	0	0	113.4	L52 S53 E54 Y58	L52-H56 WeakPolarHBondContact O-CB 3.31Å; L52-H56 PolarHBondContact O-N 3.38Å; S53-H56 PolarHBondContact O-N 3.1Å; E54-H56 VanDerWaalsContact C-N 3.34Å; E54-H56 PolarHBondContact O-N 2.94Å; H56-Y58 PolarHBondContact O-N 2.89Å
57	A	68.5	Low	72.1	Confident	89 Å²	89	79.5 Å²	79.5	74%	0.736	44%	0.436	S	S	*	.	H	α-helix	trans	-64.4	-29.4	173.3	0	0	0	0	0	111.4	S53 E54 L55	S53-A57 PolarHBondContact O-N 3.44Å; E54-A57 VanDerWaalsContact O-CB 3.29Å; E54-A57 WeakPolarHBondContact O-CB 3.24Å; E54-A57 PolarHBondContact O-N 3.48Å; E54-A57 VanDerWaalsContact O-N 3.11Å; L55-A57 VanDerWaalsContact C-N 3.29Å; L55-A57 PolarHBondContact O-N 3.28Å
58	Y	64.9	Low	72.4	Confident	115 Å²	115	76.6 Å²	76.6	45%	0.451	44%	0.443	S	S	.	.	H	α-helix	trans	-99.1	-31.2	-179	-135	-76.3	0	0	0	115	E54 L55 H56 E109 M110	E54-Y58 PolarHBondContact O-N 2.69Å; L55-Y58 PolarHBondContact O-N 3Å; H56-Y58 PolarHBondContact O-N 2.89Å; Y58-E109 VanDerWaalsContact CD2-O 3.31Å; Y58-E109 WeakPolarHBondContact CD2-O 3.12Å; Y58-E109 WeakPolarHBondContact CE1-O 3.34Å; Y58-E109 WeakPolarHBondContact CE2-O 3.33Å; Y58-E109 WeakPolarHBondContact OH-CA 3.15Å; Y58-E109 VanDerWaalsContact OH-CB 3.29Å; Y58-E109 WeakPolarHBondContact OH-CB 3.45Å; Y58-E109 PolarHBondContact OH-O 3.32Å; Y58-M110 VanDerWaalsContact CD1-CA 3.49Å; Y58-M110 HydrophobicContact CD1-CB 4.14Å; Y58-M110 HydrophobicContact CD1-CG 4.19Å; Y58-M110 HydrophobicContact CE1-CB 3.95Å; Y58-M110 HydrophobicContact CE1-CG 3.65Å
59	H	72.4	Confident	72.4	Confident	15 Å²	15	79.9 Å²	79.9	7%	0.069	46%	0.462	C	S	.	.			trans	-130.8	122	-173.1	-63.4	-74.1	0	0	0	112	L55 S61 L62 P80 W83 M204	L55-H59 PolarHBondContact O-N 3.32Å; H59-S61 VanDerWaalsContact C-N 3.27Å; H59-S61 PolarHBondContact O-N 3.05Å; H59-L62 HydrophobicContact CB-CD2 4.42Å; H59-P80 HydrophobicContact CB-CB 3.86Å; H59-P80 HydrophobicContact CB-CG 4.13Å; H59-P80 WeakPolarHBondContact CD2-CG 3.31Å; H59-P80 VanDerWaalsContact CG-CB 3.45Å; H59-P80 VanDerWaalsContact CG-CG 3.44Å; H59-P80 WeakPolarHBondContact ND1-CB 3.42Å; H59-P80 WeakPolarHBondContact NE2-CG 3.5Å; H59-W83 AromaticContact CE1-CE2 3.95Å; H59-W83 AromaticContact CE1-NE1 3.5Å; H59-M204 WeakPolarHBondContact NE2-CE 3.42Å
60	S	74.8	Confident	72.2	Confident	129 Å²	129	85.9 Å²	85.9	90%	0.902	48%	0.476	S	S	*	.	S	Bend	trans	-74	-12.2	-178.1	58.4	0	0	0	0	114.7
61	S	85.5	Confident	72.4	Confident	58 Å²	58	90.2 Å²	90.2	41%	0.406	50%	0.502	S	S	.	.			trans	-150.2	141.2	176.5	66.8	0	0	0	0	112.2	H59 S81	H59-S61 VanDerWaalsContact C-N 3.27Å; H59-S61 PolarHBondContact O-N 3.05Å; S61-S81 WeakPolarHBondContact CB-OG 3.42Å; S61-S81 PolarHBondContact O-N 3.5Å; S61-S81 PolarHBondContact O-OG 3.39Å; S61-S81 VanDerWaalsContact OG-CB 3.28Å; S61-S81 WeakPolarHBondContact OG-CB 3.39Å; S61-S81 PolarHBondContact OG-OG 3.03Å
62	L	88.5	Confident	72.3	Confident	37 Å²	37	88.7 Å²	88.7	19%	0.194	51%	0.514	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	145.8	179.7	-60.1	176.9	0	0	0	110.8	L52 L55 H59 C79 P80 S81	L52-L62 HydrophobicContact CD1-CD1 3.53Å; L55-L62 HydrophobicContact CD2-CD1 3.8Å; L55-L62 HydrophobicContact CD2-CD2 3.33Å; L55-L62 HydrophobicContact CD2-CG 4.22Å; L55-L62 HydrophobicContact CG-CD1 4.47Å; L55-L62 HydrophobicContact CG-CD2 3.8Å; H59-L62 HydrophobicContact CB-CD2 4.42Å; L62-C79 CarbonylContact C-O 3.5Å; L62-C79 WeakPolarHBondContact CA-O 3.34Å; L62-P80 HydrophobicContact CD2-CB 4.48Å; L62-P80 HydrophobicContact CD2-CG 4.49Å; L62-S81 PolarHBondContact N-OG 2.9Å
63	T	91.1	Very high	72.2	Confident	57 Å²	57	95 Å²	95	35%	0.35	54%	0.542	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	123.2	169.7	-58.2	0	0	0	0	108.9	F65 C78 C79 S81	T63-F65 HydrophobicContact CG2-CE1 4.05Å; T63-F65 HydrophobicContact CG2-CE2 3.95Å; T63-F65 HydrophobicContact CG2-CZ 3.53Å; T63-C78 WeakPolarHBondContact O-CA 3.34Å; T63-C79 PolarHBondContact N-O 2.67Å; T63-C79 PolarHBondContact O-N 2.96Å; T63-S81 WeakPolarHBondContact OG1-CA 3.2Å; T63-S81 PolarHBondContact OG1-OG 2.97Å
64	C	90	Very high	72.4	Confident	49 Å²	49	98 Å²	98	33%	0.331	55%	0.546	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	140.6	-177.1	-59.5	0	0	0	0	111.7	W76 G77 C78	C64-W76 HydrophobicContact CB-CB 4.41Å; C64-W76 HydrophobicContact CB-CE3 4.17Å; C64-G77 WeakPolarHBondContact CA-O 3.47Å; C64-C78 HydrophobicContact CB-CB 4.09Å; C64-C78 WeakPolarHBondContact CB-SG 3.49Å; C64-C78 WeakPolarHBondContact SG-CB 2.95Å; C64-C78 CovalentContact SG-SG 2.04Å; C64-C78 PolarHBondContact SG-SG 3.11Å
65	F	87.1	Confident	73.1	Confident	91 Å²	91	96.2 Å²	96.2	40%	0.399	54%	0.539	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	132.8	-178.7	-52.5	-88	0	0	0	108.7	T63 E67 W76 G77	T63-F65 HydrophobicContact CG2-CE1 4.05Å; T63-F65 HydrophobicContact CG2-CE2 3.95Å; T63-F65 HydrophobicContact CG2-CZ 3.53Å; F65-E67 PolarHBondContact O-N 2.03Å; F65-W76 VanDerWaalsContact C-CE3 3.49Å; F65-W76 CarbonylContact O-C 3.52Å; F65-W76 WeakPolarHBondContact O-CA 3.03Å; F65-G77 PolarHBondContact N-O 3.3Å; F65-G77 PolarHBondContact O-N 2.97Å
66	S	84.8	Confident	74.1	Confident	74 Å²	74	99.7 Å²	99.7	52%	0.517	55%	0.55	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-71.4	119.5	177.2	58.8	0	0	0	0	109.9	W76	S66-W76 VanDerWaalsContact N-CE3 3.31Å
67	E	77.2	Confident	75.2	Confident	68 Å²	68	94.7 Å²	94.7	32%	0.318	53%	0.527	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	107.4	173.7	-64	-159	175	0	0	108.9	F65 M75 K206 Y208	F65-E67 PolarHBondContact O-N 2.03Å; E67-M75 PolarHBondContact N-O 2.77Å; E67-K206 IonicContact OE1-NZ 3.65Å; E67-K206 PolarHBondContact OE1-NZ 3.11Å; E67-Y208 WeakPolarHBondContact OE2-CE1 3.19Å; E67-Y208 PolarHBondContact OE2-OH 2.81Å
68	G	64.6	Low	76.4	Confident	69 Å²	69	90.5 Å²	90.5	71%	0.711	49%	0.493	S	S	*	.			trans	-89.4	147.9	169.6	0	0	0	0	0	109.7
69	T	56.2	Low	77.8	Confident	143 Å²	143	85 Å²	85	88%	0.877	47%	0.471	S	S	*	.			cis	-162	136.8	31.4	37.9	0	0	0	0	111.1
70	R	53.8	Low	78.8	Confident	233 Å²	233	84.4 Å²	84.4	88%	0.879	47%	0.468	S	S	*	.	S	Bend	trans	-156.6	143.6	135.6	-100.8	175	-169	-171.9	3.5	107.1	S72	R70-S72 PolarHBondContact O-N 3.39Å
71	V	63.8	Low	79.6	Confident	154 Å²	154	80.7 Å²	80.7	93%	0.933	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	85.8	-168.5	-177.1	0	0	0	0	111.7
72	S	60.5	Low	79.9	Confident	113 Å²	113	82.9 Å²	82.9	79%	0.79	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	169.9	-11.7	138.6	66.3	0	0	0	0	114.9	R70	R70-S72 PolarHBondContact O-N 3.39Å
73	E	65.4	Low	80.3	Confident	168 Å²	168	81.8 Å²	81.8	79%	0.785	44%	0.443	S	S	*	.			trans	-135.6	131.2	-177.4	-67.9	-178.2	176.3	0	0	112.6	M75	E73-M75 PolarHBondContact O-N 3.02Å
74	K	68.8	Low	80.5	Confident	140 Å²	140	84.5 Å²	84.5	61%	0.609	45%	0.45	S	S	*	.			trans	-84.5	97.6	177.5	-173.9	179.6	-173.7	-179.3	0	108.1	W76	K74-W76 HydrophobicContact CD-CZ2 3.95Å; K74-W76 VanDerWaalsContact NZ-CZ2 3.28Å
75	M	82.7	Confident	80.7	Confident	96 Å²	96	83.8 Å²	83.8	47%	0.473	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	133.5	178.3	-164.7	175	-166.9	0	0	110.4	E67 E73 Y208	E67-M75 PolarHBondContact N-O 2.77Å; E73-M75 PolarHBondContact O-N 3.02Å; M75-Y208 VanDerWaalsContact CE-CB 3.42Å; M75-Y208 HydrophobicContact CE-CD1 3.54Å; M75-Y208 HydrophobicContact CE-CD2 4.13Å; M75-Y208 HydrophobicContact CE-CE1 4.26Å; M75-Y208 HydrophobicContact CE-CG 3.44Å; M75-Y208 VanDerWaalsContact CE-CG 3.44Å; M75-Y208 HydrophobicContact CG-CD1 3.85Å; M75-Y208 HydrophobicContact CG-CG 4.48Å; M75-Y208 HydrophobicContact SD-CD1 4.01Å; M75-Y208 HydrophobicContact SD-CE1 4.49Å; M75-Y208 HydrophobicContact SD-CG 4.49Å
76	W	87.3	Confident	81.2	Confident	91 Å²	91	82.5 Å²	82.5	35%	0.345	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	124.4	177.2	-65.9	85.7	0	0	0	110.4	C64 F65 S66 K74 Y208 L209	C64-W76 HydrophobicContact CB-CB 4.41Å; C64-W76 HydrophobicContact CB-CE3 4.17Å; F65-W76 VanDerWaalsContact C-CE3 3.49Å; F65-W76 CarbonylContact O-C 3.52Å; F65-W76 WeakPolarHBondContact O-CA 3.03Å; S66-W76 VanDerWaalsContact N-CE3 3.31Å; K74-W76 HydrophobicContact CD-CZ2 3.95Å; K74-W76 VanDerWaalsContact NZ-CZ2 3.28Å; W76-Y208 CarbonylContact O-C 3.57Å; W76-Y208 VanDerWaalsContact O-CA 3.24Å; W76-Y208 WeakPolarHBondContact O-CA 3.21Å; W76-L209 HydrophobicContact CB-CB 4.43Å; W76-L209 PolarHBondContact N-O 3.16Å; W76-L209 PolarHBondContact O-N 3.44Å
77	G	91.4	Very high	81.6	Confident	0 Å²	0	81.4 Å²	81.4	0%	0	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	122.1	170.9	0	0	0	0	0	110.6	C64 F65	C64-G77 WeakPolarHBondContact CA-O 3.47Å; F65-G77 PolarHBondContact N-O 3.3Å; F65-G77 PolarHBondContact O-N 2.97Å
78	C	92.8	Very high	82.4	Confident	1 Å²	1	80.8 Å²	80.8	1%	0.007	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	140.4	-175.8	-55.1	0	0	0	0	112	T63 C64 T207	T63-C78 WeakPolarHBondContact O-CA 3.34Å; C64-C78 HydrophobicContact CB-CB 4.09Å; C64-C78 WeakPolarHBondContact CB-SG 3.49Å; C64-C78 WeakPolarHBondContact SG-CB 2.95Å; C64-C78 CovalentContact SG-SG 2.04Å; C64-C78 PolarHBondContact SG-SG 3.11Å; C78-T207 WeakPolarHBondContact CB-O 3.35Å; C78-T207 PolarHBondContact N-O 2.73Å; C78-T207 PolarHBondContact O-N 3.09Å; C78-T207 VanDerWaalsContact O-N 3.11Å
79	C	94.6	Very high	83.9	Confident	0 Å²	0	77.7 Å²	77.7	0%	0	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	157.7	171.3	-68.1	0	0	0	0	110.1	L62 T63 W83 C90	L62-C79 CarbonylContact C-O 3.5Å; L62-C79 WeakPolarHBondContact CA-O 3.34Å; T63-C79 PolarHBondContact N-O 2.67Å; T63-C79 PolarHBondContact O-N 2.96Å; C79-W83 HydrophobicContact CB-CB 4.41Å; C79-C90 WeakPolarHBondContact CA-SG 3.45Å; C79-C90 HydrophobicContact CB-CB 3.71Å; C79-C90 WeakPolarHBondContact CB-SG 3.25Å; C79-C90 VanDerWaalsContact SG-CA 3.59Å; C79-C90 WeakPolarHBondContact SG-CB 3.34Å; C79-C90 CovalentContact SG-SG 2.03Å; C79-C90 PolarHBondContact SG-SG 2.97Å
80	P	94.5	Very high	85.9	Confident	1 Å²	1	70.9 Å²	70.9	1%	0.006	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.1	142.9	167.8	-17.5	29.2	0	0	0	111.4	L55 H59 L62 N82 W83 M204	L55-P80 HydrophobicContact CD1-CG 4.44Å; H59-P80 HydrophobicContact CB-CB 3.86Å; H59-P80 HydrophobicContact CB-CG 4.13Å; H59-P80 WeakPolarHBondContact CD2-CG 3.31Å; H59-P80 VanDerWaalsContact CG-CB 3.45Å; H59-P80 VanDerWaalsContact CG-CG 3.44Å; H59-P80 WeakPolarHBondContact ND1-CB 3.42Å; H59-P80 WeakPolarHBondContact NE2-CG 3.5Å; L62-P80 HydrophobicContact CD2-CB 4.48Å; L62-P80 HydrophobicContact CD2-CG 4.49Å; P80-N82 PolarHBondContact O-N 3.31Å; P80-W83 HydrophobicContact CB-CB 4.47Å; P80-W83 VanDerWaalsContact CB-CD1 3.46Å; P80-W83 HydrophobicContact CB-CG 3.96Å; P80-W83 HydrophobicContact CG-CD2 4.24Å; P80-W83 HydrophobicContact CG-CG 3.98Å; P80-W83 WeakPolarHBondContact O-CB 3.33Å; P80-W83 PolarHBondContact O-N 3.43Å; P80-M204 HydrophobicContact CG-CE 4.23Å; P80-M204 HydrophobicContact CG-SD 4.14Å
81	S	91.4	Very high	88	Confident	51 Å²	51	60.1 Å²	60.1	36%	0.357	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-26	-167.4	-54	0	0	0	0	114.8	S61 L62 T63 W83	S61-S81 WeakPolarHBondContact CB-OG 3.42Å; S61-S81 PolarHBondContact O-N 3.5Å; S61-S81 PolarHBondContact O-OG 3.39Å; S61-S81 VanDerWaalsContact OG-CB 3.28Å; S61-S81 WeakPolarHBondContact OG-CB 3.39Å; S61-S81 PolarHBondContact OG-OG 3.03Å; L62-S81 PolarHBondContact N-OG 2.9Å; T63-S81 WeakPolarHBondContact OG1-CA 3.2Å; T63-S81 PolarHBondContact OG1-OG 2.97Å; S81-W83 VanDerWaalsContact C-N 3.33Å
82	N	91.8	Very high	89.6	Confident	105 Å²	105	54 Å²	54	56%	0.561	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	5.5	176.6	65.8	-49.5	0	0	0	113.8	P80	P80-N82 PolarHBondContact O-N 3.31Å
83	W	95.5	Very high	91.2	Very high	13 Å²	13	50.9 Å²	50.9	5%	0.049	26%	0.264	C	S	.	.	S	Bend	trans	-103.2	150.8	178.8	-66.9	49.8	0	0	0	110.1	H59 C79 P80 S81 C90 Y91 L92 M110 A112 C202 M204	H59-W83 AromaticContact CE1-CE2 3.95Å; H59-W83 AromaticContact CE1-NE1 3.5Å; C79-W83 HydrophobicContact CB-CB 4.41Å; P80-W83 HydrophobicContact CB-CB 4.47Å; P80-W83 VanDerWaalsContact CB-CD1 3.46Å; P80-W83 HydrophobicContact CB-CG 3.96Å; P80-W83 HydrophobicContact CG-CD2 4.24Å; P80-W83 HydrophobicContact CG-CG 3.98Å; P80-W83 WeakPolarHBondContact O-CB 3.33Å; P80-W83 PolarHBondContact O-N 3.43Å; S81-W83 VanDerWaalsContact C-N 3.33Å; W83-C90 HydrophobicContact CB-CB 4.27Å; W83-C90 HydrophobicContact CE3-CB 3.88Å; W83-Y91 CarbonylContact C-O 3.48Å; W83-Y91 WeakPolarHBondContact CA-O 3.5Å; W83-Y91 VanDerWaalsContact CE3-C 3.5Å; W83-L92 HydrophobicContact CD2-CB 3.59Å; W83-L92 HydrophobicContact CE3-CB 3.76Å; W83-L92 HydrophobicContact CG-CB 4.16Å; W83-L92 HydrophobicContact CG-CD1 4.42Å; W83-L92 HydrophobicContact CH2-CB 3.74Å; W83-L92 HydrophobicContact CH2-CD2 4.42Å; W83-L92 HydrophobicContact CZ2-CB 3.6Å; W83-L92 HydrophobicContact CZ2-CD2 3.69Å; W83-L92 HydrophobicContact CZ2-CG 4.23Å; W83-L92 HydrophobicContact CZ3-CB 3.83Å; W83-M110 HydrophobicContact CH2-CB 4.41Å; W83-M110 HydrophobicContact CZ2-CB 3.99Å; W83-M110 HydrophobicContact CZ2-CE 4.21Å; W83-M110 HydrophobicContact CZ2-SD 4Å; W83-A112 HydrophobicContact CH2-CB 3.56Å; W83-A112 HydrophobicContact CZ3-CB 4.06Å; W83-C202 HydrophobicContact CH2-CB 3.7Å; W83-C202 HydrophobicContact CZ3-CB 4.09Å; W83-M204 HydrophobicContact CD2-CE 4.2Å; W83-M204 HydrophobicContact CE3-CE 4.01Å; W83-M204 HydrophobicContact CE3-CG 4.09Å; W83-M204 HydrophobicContact CH2-CE 3.39Å; W83-M204 HydrophobicContact CZ2-CE 3.53Å; W83-M204 HydrophobicContact CZ3-CB 4.47Å; W83-M204 HydrophobicContact CZ3-CE 3.64Å; W83-M204 HydrophobicContact CZ3-CG 3.87Å; W83-M204 HydrophobicContact CZ3-SD 4.45Å
84	K	96	Very high	92.6	Very high	114 Å²	114	44 Å²	44	50%	0.496	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	140.2	174.4	-57	-61.3	-172.5	178.8	0	109.6	C90 Y91 F125	K84-C90 CarbonylContact O-C 3.5Å; K84-C90 VanDerWaalsContact O-CA 3.3Å; K84-C90 WeakPolarHBondContact O-CA 3.23Å; K84-Y91 PolarHBondContact N-O 2.98Å; K84-Y91 PolarHBondContact O-N 3.35Å; K84-F125 HydrophobicContact CB-CZ 3.74Å
85	S	95.5	Very high	93.7	Very high	35 Å²	35	42.9 Å²	42.9	25%	0.245	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	128.7	-179.6	168.6	0	0	0	0	109.9	K206	S85-K206 WeakPolarHBondContact OG-CE 3.36Å; S85-K206 PolarHBondContact OG-NZ 3.01Å
86	F	95.9	Very high	94.2	Very high	64 Å²	64	44.9 Å²	44.9	28%	0.281	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	137.8	172.2	179.7	-97.5	0	0	0	110.7	S88 S89 Y91 A121 E122 F125	F86-S88 PolarHBondContact O-N 3.34Å; F86-S89 PolarHBondContact N-O 3.49Å; F86-S89 VanDerWaalsContact N-O 3.11Å; F86-S89 PolarHBondContact O-N 3.11Å; F86-Y91 HydrophobicContact CB-CD2 4.31Å; F86-Y91 HydrophobicContact CB-CE2 3.79Å; F86-Y91 HydrophobicContact CD1-CE2 4.49Å; F86-A121 HydrophobicContact CE1-CB 4.46Å; F86-A121 HydrophobicContact CZ-CB 3.94Å; F86-A121 WeakPolarHBondContact CZ-O 3.29Å; F86-E122 HydrophobicContact CE1-CB 4.12Å; F86-F125 HydrophobicContact CB-CD1 3.55Å; F86-F125 HydrophobicContact CB-CD2 3.74Å; F86-F125 HydrophobicContact CB-CE1 3.51Å; F86-F125 HydrophobicContact CB-CE2 3.68Å; F86-F125 HydrophobicContact CB-CG 3.67Å; F86-F125 HydrophobicContact CB-CZ 3.56Å; F86-F125 HydrophobicContact CD1-CB 3.93Å; F86-F125 AromaticContact CD1-CD1 3.89Å; F86-F125 HydrophobicContact CD1-CD1 3.89Å; F86-F125 AromaticContact CD1-CG 3.89Å; F86-F125 HydrophobicContact CD1-CG 3.89Å; F86-F125 HydrophobicContact CD2-CB 3.73Å; F86-F125 HydrophobicContact CD2-CD1 4.29Å; F86-F125 AromaticContact CD2-CD2 3.59Å; F86-F125 HydrophobicContact CD2-CD2 3.59Å; F86-F125 HydrophobicContact CD2-CE2 4.28Å; F86-F125 AromaticContact CD2-CG 3.59Å; F86-F125 HydrophobicContact CD2-CG 3.59Å; F86-F125 HydrophobicContact CE1-CB 4Å; F86-F125 HydrophobicContact CE1-CG 4.45Å; F86-F125 HydrophobicContact CE2-CB 3.79Å; F86-F125 HydrophobicContact CE2-CD2 4.37Å; F86-F125 HydrophobicContact CE2-CG 4.18Å; F86-F125 HydrophobicContact CG-CB 3.8Å; F86-F125 AromaticContact CG-CD1 3.65Å; F86-F125 HydrophobicContact CG-CD1 3.65Å; F86-F125 AromaticContact CG-CD2 3.74Å; F86-F125 HydrophobicContact CG-CD2 3.74Å; F86-F125 HydrophobicContact CG-CE1 4.15Å; F86-F125 HydrophobicContact CG-CE2 4.21Å; F86-F125 AromaticContact CG-CG 3.42Å; F86-F125 HydrophobicContact CG-CG 3.42Å; F86-F125 VanDerWaalsContact CG-CG 3.42Å; F86-F125 HydrophobicContact CG-CZ 4.39Å; F86-F125 HydrophobicContact CZ-CB 3.92Å
87	G	93.9	Very high	94.7	Very high	50 Å²	50	46.5 Å²	46.5	52%	0.515	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.8	-128.5	-176.6	0	0	0	0	0	111.8	K206	G87-K206 WeakPolarHBondContact O-CE 3.47Å; G87-K206 PolarHBondContact O-NZ 2.94Å
88	S	94	Very high	95	Very high	56 Å²	56	47.4 Å²	47.4	39%	0.392	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	14.9	175.9	62.2	0	0	0	0	113.8	F86 K206	F86-S88 PolarHBondContact O-N 3.34Å; S88-K206 PolarHBondContact O-N 2.88Å
89	S	96.6	Very high	95.3	Very high	3 Å²	3	49.4 Å²	49.4	2%	0.021	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	161.8	-169.5	-65.7	0	0	0	0	112.7	F86 Y91 E203 M204 K206	F86-S89 PolarHBondContact N-O 3.49Å; F86-S89 VanDerWaalsContact N-O 3.11Å; F86-S89 PolarHBondContact O-N 3.11Å; S89-Y91 WeakPolarHBondContact CB-OH 3.28Å; S89-E203 WeakPolarHBondContact CB-OE1 3.29Å; S89-E203 PolarHBondContact OG-OE1 3.43Å; S89-M204 CarbonylContact C-O 3.26Å; S89-M204 VanDerWaalsContact CA-O 3.25Å; S89-M204 WeakPolarHBondContact CA-O 3.35Å; S89-M204 WeakPolarHBondContact CB-O 3.33Å; S89-K206 WeakPolarHBondContact O-CE 3.48Å
90	C	97.1	Very high	95.4	Very high	0 Å²	0	51 Å²	51	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	138.9	174	-52.1	0	0	0	0	108.6	C79 W83 K84 E203 M204	C79-C90 WeakPolarHBondContact CA-SG 3.45Å; C79-C90 HydrophobicContact CB-CB 3.71Å; C79-C90 WeakPolarHBondContact CB-SG 3.25Å; C79-C90 VanDerWaalsContact SG-CA 3.59Å; C79-C90 WeakPolarHBondContact SG-CB 3.34Å; C79-C90 CovalentContact SG-SG 2.03Å; C79-C90 PolarHBondContact SG-SG 2.97Å; W83-C90 HydrophobicContact CB-CB 4.27Å; W83-C90 HydrophobicContact CE3-CB 3.88Å; K84-C90 CarbonylContact O-C 3.5Å; K84-C90 VanDerWaalsContact O-CA 3.3Å; K84-C90 WeakPolarHBondContact O-CA 3.23Å; C90-E203 VanDerWaalsContact O-CA 3.31Å; C90-E203 WeakPolarHBondContact O-CA 3.34Å; C90-M204 HydrophobicContact CB-CG 3.75Å; C90-M204 PolarHBondContact N-O 3.35Å; C90-M204 PolarHBondContact O-N 3.17Å
91	Y	98	Very high	95.6	Very high	7 Å²	7	54 Å²	54	3%	0.027	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	135.2	-173.5	-55.6	-98.9	0	0	0	111.9	W83 K84 F86 S89 V115 E122 F125 I126 C202 E203	W83-Y91 CarbonylContact C-O 3.48Å; W83-Y91 WeakPolarHBondContact CA-O 3.5Å; W83-Y91 VanDerWaalsContact CE3-C 3.5Å; K84-Y91 PolarHBondContact N-O 2.98Å; K84-Y91 PolarHBondContact O-N 3.35Å; F86-Y91 HydrophobicContact CB-CD2 4.31Å; F86-Y91 HydrophobicContact CB-CE2 3.79Å; F86-Y91 HydrophobicContact CD1-CE2 4.49Å; S89-Y91 WeakPolarHBondContact CB-OH 3.28Å; Y91-V115 HydrophobicContact CD1-CG2 3.89Å; Y91-V115 HydrophobicContact CE1-CG2 3.79Å; Y91-E122 PolarHBondContact OH-OE1 2.97Å; Y91-F125 HydrophobicContact CD1-CE1 4.43Å; Y91-F125 HydrophobicContact CD2-CD1 4.35Å; Y91-F125 AromaticContact CD2-CE1 3.46Å; Y91-F125 HydrophobicContact CD2-CE1 3.46Å; Y91-F125 VanDerWaalsContact CD2-CE1 3.46Å; Y91-F125 HydrophobicContact CD2-CZ 4.12Å; Y91-F125 HydrophobicContact CE2-CD1 4.31Å; Y91-F125 AromaticContact CE2-CE1 3.82Å; Y91-F125 HydrophobicContact CE2-CE1 3.82Å; Y91-F125 AromaticContact CG-CE1 3.81Å; Y91-F125 HydrophobicContact CG-CE1 3.81Å; Y91-I126 HydrophobicContact CE1-CD1 4.33Å; Y91-C202 CarbonylContact C-O 3.57Å; Y91-C202 VanDerWaalsContact CA-O 3.28Å; Y91-C202 WeakPolarHBondContact CA-O 3.48Å; Y91-E203 HydrophobicContact CD1-CB 4.18Å; Y91-E203 HydrophobicContact CD1-CG 4.03Å; Y91-E203 HydrophobicContact CE1-CB 4.25Å; Y91-E203 HydrophobicContact CE1-CG 3.71Å
92	L	96.9	Very high	96	Very high	25 Å²	25	55 Å²	55	13%	0.131	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	133.6	173.4	-176.1	71.7	0	0	0	110.9	W83 M110 M201 C202	W83-L92 HydrophobicContact CD2-CB 3.59Å; W83-L92 HydrophobicContact CE3-CB 3.76Å; W83-L92 HydrophobicContact CG-CB 4.16Å; W83-L92 HydrophobicContact CG-CD1 4.42Å; W83-L92 HydrophobicContact CH2-CB 3.74Å; W83-L92 HydrophobicContact CH2-CD2 4.42Å; W83-L92 HydrophobicContact CZ2-CB 3.6Å; W83-L92 HydrophobicContact CZ2-CD2 3.69Å; W83-L92 HydrophobicContact CZ2-CG 4.23Å; W83-L92 HydrophobicContact CZ3-CB 3.83Å; L92-M110 HydrophobicContact CD2-CE 3.51Å; L92-M110 HydrophobicContact CD2-SD 3.46Å; L92-M110 WeakPolarHBondContact CD2-SD 2.98Å; L92-M201 CarbonylContact O-C 3.59Å; L92-M201 VanDerWaalsContact O-CA 3.29Å; L92-M201 WeakPolarHBondContact O-CA 3.3Å; L92-C202 HydrophobicContact CB-CB 4.37Å; L92-C202 PolarHBondContact N-O 2.91Å; L92-C202 PolarHBondContact O-N 3.34Å
93	I	96.1	Very high	96.3	Very high	49 Å²	49	50 Å²	50	25%	0.251	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	113.8	175.1	-59.2	169.4	0	0	0	108.4	Q129 Y136 M201	I93-Q129 HydrophobicContact CD1-CB 3.35Å; I93-Q129 HydrophobicContact CD1-CG 4.37Å; I93-Q129 WeakPolarHBondContact CD1-O 3.34Å; I93-Y136 HydrophobicContact CG2-CD1 4.19Å; I93-Y136 HydrophobicContact CG2-CE1 3.52Å; I93-M201 HydrophobicContact CD1-CE 4.45Å; I93-M201 HydrophobicContact CG1-CE 3.91Å; I93-M201 HydrophobicContact CG1-CG 4.15Å; I93-M201 HydrophobicContact CG1-SD 4.31Å
94	S	93.6	Very high	96.4	Very high	23 Å²	23	50 Å²	50	16%	0.161	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	117.8	173	176.8	0	0	0	0	109.6	K96 N199 S200	S94-K96 VanDerWaalsContact C-N 3.28Å; S94-K96 PolarHBondContact OG-N 2.68Å; S94-N199 WeakPolarHBondContact O-CB 3Å; S94-S200 WeakPolarHBondContact CB-O 3.43Å; S94-S200 WeakPolarHBondContact CB-OG 3.24Å; S94-S200 PolarHBondContact N-O 3.41Å; S94-S200 PolarHBondContact O-N 3.22Å
95	T	91.3	Very high	96.5	Very high	117 Å²	117	49 Å²	49	72%	0.718	27%	0.269	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.1	-0.7	173.7	56.1	0	0	0	0	113.1	N199	T95-N199 PolarHBondContact O-OD1 3.24Å
96	K	93.5	Very high	96.6	Very high	137 Å²	137	51.1 Å²	51.1	60%	0.596	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.3	118.2	177.3	-68.5	-174.9	-180	179.5	0	109.6	S94 N98	S94-K96 VanDerWaalsContact C-N 3.28Å; S94-K96 PolarHBondContact OG-N 2.68Å; K96-N98 PolarHBondContact O-ND2 2.6Å
97	K	97.3	Very high	96.7	Very high	125 Å²	125	48 Å²	48	54%	0.543	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	127.7	175.8	-58.7	-176.4	-178.8	-175.5	0	111.7	N197 Y198 N199	K97-N197 HydrophobicContact CB-CB 4.15Å; K97-Y198 CarbonylContact C-O 3.55Å; K97-Y198 WeakPolarHBondContact CA-O 3.44Å; K97-N199 WeakPolarHBondContact CG-OD1 3.42Å
98	N	98.2	Very high	96.8	Very high	19 Å²	19	49.2 Å²	49.2	10%	0.102	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	176.2	171.9	-39.5	-85.8	0	0	0	109.2	K96 I102 R106 F137 N197 Y198	K96-N98 PolarHBondContact O-ND2 2.6Å; N98-I102 HydrophobicContact CB-CB 3.94Å; N98-I102 HydrophobicContact CB-CG2 3.72Å; N98-R106 PolarHBondContact ND2-NH1 2.8Å; N98-R106 PolarHBondContact OD1-NH1 2.93Å; N98-R106 PolarHBondContact OD1-NH2 3.46Å; N98-R106 VanDerWaalsContact OD1-NH2 3.09Å; N98-F137 VanDerWaalsContact O-CE2 3.29Å; N98-F137 WeakPolarHBondContact O-CE2 3.23Å; N98-N197 WeakPolarHBondContact CA-OD1 3.36Å; N98-N197 WeakPolarHBondContact O-CA 3.44Å; N98-Y198 PolarHBondContact N-O 2.02Å; N98-Y198 PolarHBondContact O-N 3.33Å
99	I	98.6	Very high	96.9	Very high	44 Å²	44	51.1 Å²	51.1	23%	0.226	26%	0.255	C	S	.	.			trans	-69.4	164	165.9	69.3	174.8	0	0	0	111.4	S101 I102 S103 F137 C194 D195	I99-S101 WeakPolarHBondContact CD1-OG 3.47Å; I99-S101 PolarHBondContact O-N 3.38Å; I99-I102 HydrophobicContact CD1-CG1 3.88Å; I99-I102 HydrophobicContact CG1-CB 3.89Å; I99-I102 HydrophobicContact CG1-CG1 3.51Å; I99-I102 PolarHBondContact O-N 3.16Å; I99-S103 PolarHBondContact O-N 3.46Å; I99-S103 PolarHBondContact O-OG 2.78Å; I99-F137 VanDerWaalsContact C-CE2 3.49Å; I99-C194 WeakPolarHBondContact CB-O 3.39Å; I99-D195 WeakPolarHBondContact CG2-O 3.44Å
100	W	98.6	Very high	96.7	Very high	32 Å²	32	53 Å²	53	12%	0.121	26%	0.263	C	S	.	.	H	α-helix	trans	-59.8	-47.8	-172.4	-173.1	94.9	0	0	0	112.2	I102 S103 E104 L114 F137 L138 I152 C176 C194	W100-I102 PolarHBondContact O-N 2.77Å; W100-S103 WeakPolarHBondContact O-CB 3.5Å; W100-S103 PolarHBondContact O-N 2.93Å; W100-S103 VanDerWaalsContact O-N 3.1Å; W100-E104 HydrophobicContact CZ3-CB 4.37Å; W100-E104 PolarHBondContact O-N 3.35Å; W100-L114 HydrophobicContact CD2-CD1 4.03Å; W100-L114 HydrophobicContact CG-CD1 4.27Å; W100-L114 HydrophobicContact CZ2-CD1 3.88Å; W100-F137 VanDerWaalsContact CA-CE2 3.46Å; W100-F137 HydrophobicContact CB-CD1 4.3Å; W100-F137 HydrophobicContact CB-CD2 4.3Å; W100-F137 HydrophobicContact CB-CE1 3.89Å; W100-F137 HydrophobicContact CB-CE2 3.91Å; W100-F137 HydrophobicContact CB-CG 4.45Å; W100-F137 HydrophobicContact CB-CZ 3.64Å; W100-F137 AromaticContact CD1-CD1 3.5Å; W100-F137 VanDerWaalsContact CD1-CD1 3.5Å; W100-F137 AromaticContact CD1-CE1 3.84Å; W100-F137 AromaticContact CD1-CG 3.75Å; W100-F137 HydrophobicContact CG-CD1 4.29Å; W100-F137 HydrophobicContact CG-CE1 4.29Å; W100-F137 HydrophobicContact CG-CG 4.45Å; W100-F137 HydrophobicContact CG-CZ 4.47Å; W100-L138 PolarHBondContact NE1-O 2.83Å; W100-I152 HydrophobicContact CH2-CD1 3.74Å; W100-I152 HydrophobicContact CH2-CG1 4.4Å; W100-I152 HydrophobicContact CZ2-CD1 4.45Å; W100-C176 HydrophobicContact CB-CB 4.38Å; W100-C176 VanDerWaalsContact CB-SG 3.54Å; W100-C176 VanDerWaalsContact CD1-SG 3.51Å; W100-C176 HydrophobicContact CG-CB 4.13Å; W100-C194 HydrophobicContact CB-CB 4.13Å; W100-C194 PolarHBondContact N-O 2.92Å
101	S	98.4	Very high	96.5	Very high	64 Å²	64	55.7 Å²	55.7	45%	0.448	29%	0.292	S	S	.	.	H	α-helix	trans	-62.5	-39.5	-178.8	56.4	0	0	0	0	113.1	I99 S103 E104 Q105	I99-S101 WeakPolarHBondContact CD1-OG 3.47Å; I99-S101 PolarHBondContact O-N 3.38Å; S101-S103 VanDerWaalsContact C-N 3.35Å; S101-E104 PolarHBondContact O-N 2.98Å; S101-Q105 WeakPolarHBondContact O-CB 3.38Å; S101-Q105 PolarHBondContact O-N 3.17Å
102	I	98.6	Very high	96.5	Very high	74 Å²	74	55.4 Å²	55.4	38%	0.379	29%	0.291	S	S	.	.	H	α-helix	trans	-71	-33.5	175.8	-62.6	-62.6	0	0	0	111.3	N98 I99 W100 R106	N98-I102 HydrophobicContact CB-CB 3.94Å; N98-I102 HydrophobicContact CB-CG2 3.72Å; I99-I102 HydrophobicContact CD1-CG1 3.88Å; I99-I102 HydrophobicContact CG1-CB 3.89Å; I99-I102 HydrophobicContact CG1-CG1 3.51Å; I99-I102 PolarHBondContact O-N 3.16Å; W100-I102 PolarHBondContact O-N 2.77Å; I102-R106 WeakPolarHBondContact O-CG 3.43Å; I102-R106 PolarHBondContact O-N 2.81Å; I102-R106 VanDerWaalsContact O-N 3.11Å
103	S	98.5	Very high	96.6	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-66.2	-44.2	175.2	-63.2	0	0	0	0	111.4	I99 W100 S101 R106 C107	I99-S103 PolarHBondContact O-N 3.46Å; I99-S103 PolarHBondContact O-OG 2.78Å; W100-S103 WeakPolarHBondContact O-CB 3.5Å; W100-S103 PolarHBondContact O-N 2.93Å; W100-S103 VanDerWaalsContact O-N 3.1Å; S101-S103 VanDerWaalsContact C-N 3.35Å; S103-R106 PolarHBondContact O-N 2.86Å; S103-C107 PolarHBondContact O-N 3.41Å; S103-C107 VanDerWaalsContact O-N 3.14Å; S103-C107 PolarHBondContact O-SG 3.42Å; S103-C107 VanDerWaalsContact O-SG 3.4Å
104	E	98.5	Very high	96.7	Very high	13 Å²	13	56 Å²	56	6%	0.061	29%	0.291	C	S	.	.	H	α-helix	trans	-60.9	-48.4	173.1	175.6	56.2	-165.4	0	0	111.7	W100 S101 R106 C107 I108 H113 L114 I152	W100-E104 HydrophobicContact CZ3-CB 4.37Å; W100-E104 PolarHBondContact O-N 3.35Å; S101-E104 PolarHBondContact O-N 2.98Å; E104-R106 PolarHBondContact O-N 3.47Å; E104-R106 VanDerWaalsContact O-N 3.15Å; E104-C107 CarbonylContact O-C 3.58Å; E104-C107 WeakPolarHBondContact O-CA 3.39Å; E104-C107 WeakPolarHBondContact O-CB 3.33Å; E104-C107 PolarHBondContact O-N 2.98Å; E104-I108 HydrophobicContact CG-CD1 3.87Å; E104-I108 HydrophobicContact CG-CG1 4.34Å; E104-I108 WeakPolarHBondContact O-CG1 3.49Å; E104-I108 PolarHBondContact O-N 2.91Å; E104-I108 WeakPolarHBondContact OE1-CD1 3.42Å; E104-I108 WeakPolarHBondContact OE1-CG1 3.33Å; E104-H113 IonicContact OE1-CE1 3.69Å; E104-H113 IonicContact OE1-CG 2.71Å; E104-H113 IonicContact OE1-ND1 3.8Å; E104-H113 PolarHBondContact OE1-ND1 2.87Å; E104-L114 HydrophobicContact CB-CD1 3.87Å; E104-L114 HydrophobicContact CB-CG 4.19Å; E104-L114 WeakPolarHBondContact OE2-CB 3.41Å; E104-L114 VanDerWaalsContact OE2-CG 3.31Å; E104-L114 WeakPolarHBondContact OE2-CG 3.31Å; E104-L114 PolarHBondContact OE2-N 3.26Å; E104-I152 HydrophobicContact CG-CG1 4.49Å
105	Q	98.3	Very high	96.9	Very high	92 Å²	92	54.9 Å²	54.9	43%	0.43	28%	0.284	S	S	.	.	H	α-helix	trans	-55.3	-37.6	178	-178.3	56.9	40.4	0	0	112.4	S101 I108 E109	S101-Q105 WeakPolarHBondContact O-CB 3.38Å; S101-Q105 PolarHBondContact O-N 3.17Å; Q105-I108 PolarHBondContact O-N 3.18Å; Q105-E109 WeakPolarHBondContact O-CB 3.43Å; Q105-E109 WeakPolarHBondContact O-CG 3.22Å; Q105-E109 PolarHBondContact O-N 3.02Å
106	R	97.3	Very high	97.2	Very high	79 Å²	79	49.6 Å²	49.6	30%	0.298	25%	0.251	S	S	.	.	H	α-helix	trans	-70	-36.2	175.7	-75.3	-178	178.5	161.1	13.3	113	N98 I102 S103 E104 E109 M110	N98-R106 PolarHBondContact ND2-NH1 2.8Å; N98-R106 PolarHBondContact OD1-NH1 2.93Å; N98-R106 PolarHBondContact OD1-NH2 3.46Å; N98-R106 VanDerWaalsContact OD1-NH2 3.09Å; I102-R106 WeakPolarHBondContact O-CG 3.43Å; I102-R106 PolarHBondContact O-N 2.81Å; I102-R106 VanDerWaalsContact O-N 3.11Å; S103-R106 PolarHBondContact O-N 2.86Å; E104-R106 PolarHBondContact O-N 3.47Å; E104-R106 VanDerWaalsContact O-N 3.15Å; R106-E109 WeakPolarHBondContact O-CB 3.42Å; R106-M110 WeakPolarHBondContact O-CE 3.33Å; R106-M110 PolarHBondContact O-N 3.06Å
107	C	97.4	Very high	97.3	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-65.4	-43.9	172.3	-60.9	0	0	0	0	110.6	S103 E104 E109 M110 G111 A112 C202	S103-C107 PolarHBondContact O-N 3.41Å; S103-C107 VanDerWaalsContact O-N 3.14Å; S103-C107 PolarHBondContact O-SG 3.42Å; S103-C107 VanDerWaalsContact O-SG 3.4Å; E104-C107 CarbonylContact O-C 3.58Å; E104-C107 WeakPolarHBondContact O-CA 3.39Å; E104-C107 WeakPolarHBondContact O-CB 3.33Å; E104-C107 PolarHBondContact O-N 2.98Å; C107-E109 VanDerWaalsContact C-N 3.33Å; C107-E109 PolarHBondContact O-N 3.47Å; C107-M110 CarbonylContact O-C 3.51Å; C107-M110 VanDerWaalsContact O-C 3.32Å; C107-M110 VanDerWaalsContact O-CA 3.24Å; C107-M110 WeakPolarHBondContact O-CA 3.28Å; C107-M110 WeakPolarHBondContact O-CB 3.41Å; C107-M110 PolarHBondContact O-N 3.01Å; C107-G111 PolarHBondContact O-N 2.83Å; C107-A112 CarbonylContact C-O 3.44Å; C107-A112 HydrophobicContact CB-CB 4.25Å; C107-A112 CarbonylContact O-C 3.51Å; C107-A112 WeakPolarHBondContact O-CA 3.37Å; C107-A112 WeakPolarHBondContact O-CB 3.47Å; C107-A112 PolarHBondContact O-N 3.15Å; C107-C202 WeakPolarHBondContact CA-SG 3.05Å; C107-C202 HydrophobicContact CB-CB 3.73Å; C107-C202 WeakPolarHBondContact CB-SG 3.48Å; C107-C202 VanDerWaalsContact SG-CA 3.53Å; C107-C202 WeakPolarHBondContact SG-CB 3.06Å; C107-C202 CovalentContact SG-SG 2.04Å; C107-C202 PolarHBondContact SG-SG 3.04Å
108	I	96.9	Very high	97	Very high	74 Å²	74	40.2 Å²	40.2	38%	0.379	22%	0.216	S	C	.	.	H	α-helix	trans	-59.9	-44.7	177.4	-70.7	171.7	0	0	0	111.2	E104 Q105 M110 G111 A112	E104-I108 HydrophobicContact CG-CD1 3.87Å; E104-I108 HydrophobicContact CG-CG1 4.34Å; E104-I108 WeakPolarHBondContact O-CG1 3.49Å; E104-I108 PolarHBondContact O-N 2.91Å; E104-I108 WeakPolarHBondContact OE1-CD1 3.42Å; E104-I108 WeakPolarHBondContact OE1-CG1 3.33Å; Q105-I108 PolarHBondContact O-N 3.18Å; I108-M110 PolarHBondContact O-N 2.96Å; I108-G111 PolarHBondContact O-N 2.99Å; I108-A112 VanDerWaalsContact CA-O 3.23Å; I108-A112 WeakPolarHBondContact CA-O 3.36Å; I108-A112 PolarHBondContact N-O 3.04Å; I108-A112 VanDerWaalsContact N-O 3.12Å
109	E	94.6	Very high	96.8	Very high	97 Å²	97	42.5 Å²	42.5	45%	0.453	23%	0.231	S	C	.	.	H	α-helix	trans	-46.5	-56.8	169.3	-83.1	167.8	-159.7	0	0	107	Y58 Q105 R106 C107 G111	Y58-E109 VanDerWaalsContact CD2-O 3.31Å; Y58-E109 WeakPolarHBondContact CD2-O 3.12Å; Y58-E109 WeakPolarHBondContact CE1-O 3.34Å; Y58-E109 WeakPolarHBondContact CE2-O 3.33Å; Y58-E109 WeakPolarHBondContact OH-CA 3.15Å; Y58-E109 VanDerWaalsContact OH-CB 3.29Å; Y58-E109 WeakPolarHBondContact OH-CB 3.45Å; Y58-E109 PolarHBondContact OH-O 3.32Å; Q105-E109 WeakPolarHBondContact O-CB 3.43Å; Q105-E109 WeakPolarHBondContact O-CG 3.22Å; Q105-E109 PolarHBondContact O-N 3.02Å; R106-E109 WeakPolarHBondContact O-CB 3.42Å; C107-E109 VanDerWaalsContact C-N 3.33Å; C107-E109 PolarHBondContact O-N 3.47Å; E109-G111 PolarHBondContact O-N 3.48Å
110	M	93.5	Very high	96.6	Very high	41 Å²	41	46.6 Å²	46.6	20%	0.202	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	11.8	177.4	-61	178.1	-62	0	0	118.8	Y58 W83 L92 R106 C107 I108 A112 C202 M204	Y58-M110 VanDerWaalsContact CD1-CA 3.49Å; Y58-M110 HydrophobicContact CD1-CB 4.14Å; Y58-M110 HydrophobicContact CD1-CG 4.19Å; Y58-M110 HydrophobicContact CE1-CB 3.95Å; Y58-M110 HydrophobicContact CE1-CG 3.65Å; W83-M110 HydrophobicContact CH2-CB 4.41Å; W83-M110 HydrophobicContact CZ2-CB 3.99Å; W83-M110 HydrophobicContact CZ2-CE 4.21Å; W83-M110 HydrophobicContact CZ2-SD 4Å; L92-M110 HydrophobicContact CD2-CE 3.51Å; L92-M110 HydrophobicContact CD2-SD 3.46Å; L92-M110 WeakPolarHBondContact CD2-SD 2.98Å; R106-M110 WeakPolarHBondContact O-CE 3.33Å; R106-M110 PolarHBondContact O-N 3.06Å; C107-M110 CarbonylContact O-C 3.51Å; C107-M110 VanDerWaalsContact O-C 3.32Å; C107-M110 VanDerWaalsContact O-CA 3.24Å; C107-M110 WeakPolarHBondContact O-CA 3.28Å; C107-M110 WeakPolarHBondContact O-CB 3.41Å; C107-M110 PolarHBondContact O-N 3.01Å; I108-M110 PolarHBondContact O-N 2.96Å; M110-A112 PolarHBondContact O-N 3.14Å; M110-C202 HydrophobicContact CE-CB 4.43Å; M110-C202 VanDerWaalsContact CE-SG 3.54Å; M110-M204 WeakPolarHBondContact O-CE 3.44Å
111	G	93.4	Very high	96.4	Very high	58 Å²	58	47.7 Å²	47.7	60%	0.598	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	65	25.6	-176	0	0	0	0	0	112.9	C107 I108 E109	C107-G111 PolarHBondContact O-N 2.83Å; I108-G111 PolarHBondContact O-N 2.99Å; E109-G111 PolarHBondContact O-N 3.48Å
112	A	96.8	Very high	96.3	Very high	1 Å²	1	45 Å²	45	1%	0.008	25%	0.245	C	C	.	.			trans	-127	177.7	-177.6	0	0	0	0	0	110.4	W83 C107 I108 M110 C202 E203 M204	W83-A112 HydrophobicContact CH2-CB 3.56Å; W83-A112 HydrophobicContact CZ3-CB 4.06Å; C107-A112 CarbonylContact C-O 3.44Å; C107-A112 HydrophobicContact CB-CB 4.25Å; C107-A112 CarbonylContact O-C 3.51Å; C107-A112 WeakPolarHBondContact O-CA 3.37Å; C107-A112 WeakPolarHBondContact O-CB 3.47Å; C107-A112 PolarHBondContact O-N 3.15Å; I108-A112 VanDerWaalsContact CA-O 3.23Å; I108-A112 WeakPolarHBondContact CA-O 3.36Å; I108-A112 PolarHBondContact N-O 3.04Å; I108-A112 VanDerWaalsContact N-O 3.12Å; M110-A112 PolarHBondContact O-N 3.14Å; A112-C202 HydrophobicContact CB-CB 4.02Å; A112-E203 WeakPolarHBondContact CA-O 3.44Å; A112-E203 VanDerWaalsContact CB-O 3.29Å; A112-E203 WeakPolarHBondContact CB-O 3.42Å; A112-M204 HydrophobicContact CB-CB 3.99Å; A112-M204 HydrophobicContact CB-CE 4.15Å
113	H	98.3	Very high	96.2	Very high	85 Å²	85	41.9 Å²	41.9	39%	0.394	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	167.2	167.9	-68.9	-73.8	0	0	0	109.7	E104 I152 C202 E203	E104-H113 IonicContact OE1-CE1 3.69Å; E104-H113 IonicContact OE1-CG 2.71Å; E104-H113 IonicContact OE1-ND1 3.8Å; E104-H113 PolarHBondContact OE1-ND1 2.87Å; H113-I152 HydrophobicContact CB-CG2 3.88Å; H113-C202 CarbonylContact O-C 3.42Å; H113-C202 WeakPolarHBondContact O-CA 3.29Å; H113-E203 PolarHBondContact N-O 3.16Å; H113-E203 PolarHBondContact O-N 2.72Å
114	L	98.7	Very high	96.1	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55	143.3	164.6	-76.3	172.2	0	0	0	110.3	W100 E104 F137 G139 M201	W100-L114 HydrophobicContact CD2-CD1 4.03Å; W100-L114 HydrophobicContact CG-CD1 4.27Å; W100-L114 HydrophobicContact CZ2-CD1 3.88Å; E104-L114 HydrophobicContact CB-CD1 3.87Å; E104-L114 HydrophobicContact CB-CG 4.19Å; E104-L114 WeakPolarHBondContact OE2-CB 3.41Å; E104-L114 VanDerWaalsContact OE2-CG 3.31Å; E104-L114 WeakPolarHBondContact OE2-CG 3.31Å; E104-L114 PolarHBondContact OE2-N 3.26Å; L114-F137 HydrophobicContact CD2-CB 4.32Å; L114-G139 VanDerWaalsContact CB-CA 3.45Å; L114-M201 WeakPolarHBondContact CA-O 3.11Å
115	V	98.3	Very high	96	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.25	C	C	.	.			trans	-58.8	137.6	-169.5	66.3	0	0	0	0	113.4	Y91 I117 I126 L138 G139 M201 E203	Y91-V115 HydrophobicContact CD1-CG2 3.89Å; Y91-V115 HydrophobicContact CE1-CG2 3.79Å; V115-I117 HydrophobicContact CG1-CG1 4.47Å; V115-I117 HydrophobicContact CG2-CG1 4.11Å; V115-I126 HydrophobicContact CG2-CD1 3.59Å; V115-L138 HydrophobicContact CG1-CD2 3.62Å; V115-G139 PolarHBondContact O-N 3.18Å; V115-M201 HydrophobicContact CB-CB 4.12Å; V115-M201 HydrophobicContact CG1-CB 3.77Å; V115-M201 PolarHBondContact N-O 3.49Å; V115-E203 HydrophobicContact CB-CB 4.24Å; V115-E203 HydrophobicContact CG2-CB 4.14Å
116	V	97.2	Very high	95.9	Very high	7 Å²	7	41.5 Å²	41.5	4%	0.042	23%	0.229	C	C	.	.			trans	-113.7	109.5	179.9	170.9	0	0	0	0	108.9	T118 W151 I152 D153 E203	V116-T118 HydrophobicContact CG1-CG2 3.83Å; V116-W151 HydrophobicContact CB-CD2 4.38Å; V116-W151 HydrophobicContact CB-CE3 4Å; V116-W151 HydrophobicContact CB-CZ3 4.46Å; V116-W151 HydrophobicContact CG1-CB 4.12Å; V116-W151 HydrophobicContact CG1-CD2 3.7Å; V116-W151 HydrophobicContact CG1-CE3 3.83Å; V116-W151 HydrophobicContact CG1-CG 3.83Å; V116-W151 HydrophobicContact CG1-CZ3 4.48Å; V116-W151 HydrophobicContact CG2-CB 4.29Å; V116-W151 HydrophobicContact CG2-CD2 4.4Å; V116-W151 HydrophobicContact CG2-CE3 3.87Å; V116-I152 HydrophobicContact CG2-CG2 3.85Å; V116-D153 HydrophobicContact CG2-CB 4.17Å; V116-E203 PolarHBondContact N-OE2 3.01Å
117	I	96	Very high	95.8	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.224	C	C	.	.			trans	-100.3	107.9	-172.2	-54.9	-179.9	0	0	0	110.1	V115 E122 Q123 I126 L138 W151 F163 W189	V115-I117 HydrophobicContact CG1-CG1 4.47Å; V115-I117 HydrophobicContact CG2-CG1 4.11Å; I117-E122 WeakPolarHBondContact CA-OE2 3.42Å; I117-E122 HydrophobicContact CG2-CG 4.25Å; I117-Q123 HydrophobicContact CG2-CB 3.87Å; I117-I126 HydrophobicContact CD1-CD1 3.48Å; I117-I126 VanDerWaalsContact CD1-CD1 3.48Å; I117-I126 HydrophobicContact CD1-CG2 4.49Å; I117-I126 HydrophobicContact CG1-CD1 3.52Å; I117-L138 HydrophobicContact CD1-CD2 3.74Å; I117-L138 HydrophobicContact CG1-CD2 4.5Å; I117-W151 HydrophobicContact CB-CH2 4.08Å; I117-W151 VanDerWaalsContact N-CH2 3.33Å; I117-W151 WeakPolarHBondContact O-CZ2 3.4Å; I117-F163 HydrophobicContact CG2-CD2 4.29Å; I117-F163 HydrophobicContact CG2-CE2 4.28Å; I117-W189 HydrophobicContact CB-CH2 4.4Å; I117-W189 HydrophobicContact CB-CZ2 3.71Å; I117-W189 HydrophobicContact CD1-CZ2 4.27Å; I117-W189 HydrophobicContact CG2-CZ2 3.85Å
118	T	91.3	Very high	95.7	Very high	65 Å²	65	46.2 Å²	46.2	40%	0.399	26%	0.257	S	S	.	.			trans	-112.8	-14.5	-173.4	57.3	0	0	0	0	113.9	V116 E122 T155	V116-T118 HydrophobicContact CG1-CG2 3.83Å; T118-E122 PolarHBondContact N-OE2 3.47Å; T118-E122 PolarHBondContact OG1-OE2 3.5Å; T118-T155 HydrophobicContact CG2-CG2 3.85Å
119	T	93.4	Very high	95.5	Very high	67 Å²	67	45.7 Å²	45.7	41%	0.411	25%	0.253	S	S	.	.	S	Bend	trans	-132.5	154.5	-177.7	69.6	0	0	0	0	112.5	A121 E122 Q123	T119-A121 VanDerWaalsContact C-N 3.27Å; T119-A121 PolarHBondContact O-N 2.85Å; T119-E122 PolarHBondContact O-N 2.95Å; T119-E122 VanDerWaalsContact OG1-CB 3.24Å; T119-E122 WeakPolarHBondContact OG1-CB 3.4Å; T119-E122 PolarHBondContact OG1-N 2.89Å; T119-E122 VanDerWaalsContact OG1-N 3.15Å; T119-Q123 PolarHBondContact O-N 2.92Å
120	E	93.8	Very high	95.4	Very high	129 Å²	129	42.1 Å²	42.1	60%	0.603	24%	0.237	S	C	*	.	H	α-helix	trans	-63.6	-35.8	173.7	-172.1	-175.7	166.5	0	0	112	E122 Q123 N124 F163	E120-E122 VanDerWaalsContact C-N 3.31Å; E120-E122 PolarHBondContact O-N 3.43Å; E120-Q123 PolarHBondContact O-N 2.75Å; E120-N124 VanDerWaalsContact O-CB 3.31Å; E120-N124 WeakPolarHBondContact O-CB 3.44Å; E120-N124 PolarHBondContact O-N 2.96Å; E120-N124 PolarHBondContact O-ND2 2.9Å; E120-F163 HydrophobicContact CB-CE1 4.3Å; E120-F163 HydrophobicContact CB-CZ 3.96Å; E120-F163 HydrophobicContact CG-CE1 4.25Å; E120-F163 HydrophobicContact CG-CZ 4.41Å
121	A	95.9	Very high	95.4	Very high	55 Å²	55	44.3 Å²	44.3	46%	0.455	25%	0.249	S	C	.	.	H	α-helix	trans	-62.5	-40.9	177.5	0	0	0	0	0	111.4	F86 T119 N124 F125	F86-A121 HydrophobicContact CE1-CB 4.46Å; F86-A121 HydrophobicContact CZ-CB 3.94Å; F86-A121 WeakPolarHBondContact CZ-O 3.29Å; T119-A121 VanDerWaalsContact C-N 3.27Å; T119-A121 PolarHBondContact O-N 2.85Å; A121-N124 PolarHBondContact O-N 2.75Å; A121-F125 WeakPolarHBondContact O-CB 3.48Å; A121-F125 PolarHBondContact O-N 3.32Å
122	E	96.2	Very high	95.4	Very high	9 Å²	9	46.9 Å²	46.9	4%	0.042	25%	0.247	C	C	.	.	H	α-helix	trans	-67.4	-47.1	174.9	177.2	170.1	-132.2	0	0	112.7	F86 Y91 I117 T118 T119 E120 N124 F125 I126	F86-E122 HydrophobicContact CE1-CB 4.12Å; Y91-E122 PolarHBondContact OH-OE1 2.97Å; I117-E122 WeakPolarHBondContact CA-OE2 3.42Å; I117-E122 HydrophobicContact CG2-CG 4.25Å; T118-E122 PolarHBondContact N-OE2 3.47Å; T118-E122 PolarHBondContact OG1-OE2 3.5Å; T119-E122 PolarHBondContact O-N 2.95Å; T119-E122 VanDerWaalsContact OG1-CB 3.24Å; T119-E122 WeakPolarHBondContact OG1-CB 3.4Å; T119-E122 PolarHBondContact OG1-N 2.89Å; T119-E122 VanDerWaalsContact OG1-N 3.15Å; E120-E122 VanDerWaalsContact C-N 3.31Å; E120-E122 PolarHBondContact O-N 3.43Å; E122-N124 VanDerWaalsContact C-N 3.28Å; E122-N124 PolarHBondContact O-N 2.86Å; E122-F125 PolarHBondContact O-N 3.08Å; E122-F125 VanDerWaalsContact O-N 3.17Å; E122-I126 HydrophobicContact CG-CD1 3.82Å; E122-I126 WeakPolarHBondContact O-CB 3.17Å; E122-I126 WeakPolarHBondContact O-CG1 3.32Å; E122-I126 PolarHBondContact O-N 3.37Å
123	Q	95.6	Very high	95.3	Very high	7 Å²	7	52.1 Å²	52.1	3%	0.033	28%	0.283	C	S	.	.	H	α-helix	trans	-54.2	-46.5	172.8	176.1	71.5	9.5	0	0	110.8	I117 T119 E120 F125 I126 T127 F163 I179	I117-Q123 HydrophobicContact CG2-CB 3.87Å; T119-Q123 PolarHBondContact O-N 2.92Å; E120-Q123 PolarHBondContact O-N 2.75Å; Q123-F125 PolarHBondContact O-N 3.18Å; Q123-I126 PolarHBondContact O-N 3.47Å; Q123-T127 HydrophobicContact CG-CG2 4.48Å; Q123-T127 VanDerWaalsContact O-CG2 3.23Å; Q123-T127 WeakPolarHBondContact O-CG2 3.41Å; Q123-T127 PolarHBondContact O-N 3.11Å; Q123-T127 PolarHBondContact O-OG1 3.16Å; Q123-T127 VanDerWaalsContact O-OG1 3.11Å; Q123-F163 HydrophobicContact CB-CD1 4.32Å; Q123-F163 HydrophobicContact CB-CD2 4.28Å; Q123-F163 HydrophobicContact CB-CE1 4.14Å; Q123-F163 HydrophobicContact CB-CE2 4.1Å; Q123-F163 HydrophobicContact CB-CG 4.41Å; Q123-F163 HydrophobicContact CB-CZ 4.05Å; Q123-F163 HydrophobicContact CG-CD1 3.8Å; Q123-F163 HydrophobicContact CG-CD2 4.32Å; Q123-F163 HydrophobicContact CG-CE1 4.04Å; Q123-F163 HydrophobicContact CG-CG 3.97Å; Q123-F163 HydrophobicContact CG-CZ 4.42Å; Q123-I179 VanDerWaalsContact NE2-CD1 3.31Å
124	N	95.9	Very high	95.2	Very high	72 Å²	72	49.7 Å²	49.7	39%	0.385	28%	0.275	S	S	.	.	H	α-helix	trans	-64.9	-39.5	179.2	-74.6	-25.2	0	0	0	112.4	E120 A121 E122 T127 Q128	E120-N124 VanDerWaalsContact O-CB 3.31Å; E120-N124 WeakPolarHBondContact O-CB 3.44Å; E120-N124 PolarHBondContact O-N 2.96Å; E120-N124 PolarHBondContact O-ND2 2.9Å; A121-N124 PolarHBondContact O-N 2.75Å; E122-N124 VanDerWaalsContact C-N 3.28Å; E122-N124 PolarHBondContact O-N 2.86Å; N124-T127 WeakPolarHBondContact CA-OG1 3.38Å; N124-T127 PolarHBondContact O-OG1 3.2Å; N124-Q128 WeakPolarHBondContact O-CG 3.44Å; N124-Q128 PolarHBondContact O-NE2 3.33Å
125	F	97.1	Very high	95.1	Very high	25 Å²	25	50.4 Å²	50.4	11%	0.11	28%	0.28	C	S	.	.	H	α-helix	trans	-62.7	-47.5	174.2	164.3	-101.7	0	0	0	111.6	K84 F86 Y91 A121 E122 Q123 Q128 Q129	K84-F125 HydrophobicContact CB-CZ 3.74Å; F86-F125 HydrophobicContact CB-CD1 3.55Å; F86-F125 HydrophobicContact CB-CD2 3.74Å; F86-F125 HydrophobicContact CB-CE1 3.51Å; F86-F125 HydrophobicContact CB-CE2 3.68Å; F86-F125 HydrophobicContact CB-CG 3.67Å; F86-F125 HydrophobicContact CB-CZ 3.56Å; F86-F125 HydrophobicContact CD1-CB 3.93Å; F86-F125 AromaticContact CD1-CD1 3.89Å; F86-F125 HydrophobicContact CD1-CD1 3.89Å; F86-F125 AromaticContact CD1-CG 3.89Å; F86-F125 HydrophobicContact CD1-CG 3.89Å; F86-F125 HydrophobicContact CD2-CB 3.73Å; F86-F125 HydrophobicContact CD2-CD1 4.29Å; F86-F125 AromaticContact CD2-CD2 3.59Å; F86-F125 HydrophobicContact CD2-CD2 3.59Å; F86-F125 HydrophobicContact CD2-CE2 4.28Å; F86-F125 AromaticContact CD2-CG 3.59Å; F86-F125 HydrophobicContact CD2-CG 3.59Å; F86-F125 HydrophobicContact CE1-CB 4Å; F86-F125 HydrophobicContact CE1-CG 4.45Å; F86-F125 HydrophobicContact CE2-CB 3.79Å; F86-F125 HydrophobicContact CE2-CD2 4.37Å; F86-F125 HydrophobicContact CE2-CG 4.18Å; F86-F125 HydrophobicContact CG-CB 3.8Å; F86-F125 AromaticContact CG-CD1 3.65Å; F86-F125 HydrophobicContact CG-CD1 3.65Å; F86-F125 AromaticContact CG-CD2 3.74Å; F86-F125 HydrophobicContact CG-CD2 3.74Å; F86-F125 HydrophobicContact CG-CE1 4.15Å; F86-F125 HydrophobicContact CG-CE2 4.21Å; F86-F125 AromaticContact CG-CG 3.42Å; F86-F125 HydrophobicContact CG-CG 3.42Å; F86-F125 VanDerWaalsContact CG-CG 3.42Å; F86-F125 HydrophobicContact CG-CZ 4.39Å; F86-F125 HydrophobicContact CZ-CB 3.92Å; Y91-F125 HydrophobicContact CD1-CE1 4.43Å; Y91-F125 HydrophobicContact CD2-CD1 4.35Å; Y91-F125 AromaticContact CD2-CE1 3.46Å; Y91-F125 HydrophobicContact CD2-CE1 3.46Å; Y91-F125 VanDerWaalsContact CD2-CE1 3.46Å; Y91-F125 HydrophobicContact CD2-CZ 4.12Å; Y91-F125 HydrophobicContact CE2-CD1 4.31Å; Y91-F125 AromaticContact CE2-CE1 3.82Å; Y91-F125 HydrophobicContact CE2-CE1 3.82Å; Y91-F125 AromaticContact CG-CE1 3.81Å; Y91-F125 HydrophobicContact CG-CE1 3.81Å; A121-F125 WeakPolarHBondContact O-CB 3.48Å; A121-F125 PolarHBondContact O-N 3.32Å; E122-F125 PolarHBondContact O-N 3.08Å; E122-F125 VanDerWaalsContact O-N 3.17Å; Q123-F125 PolarHBondContact O-N 3.18Å; F125-Q128 PolarHBondContact O-N 2.93Å; F125-Q129 WeakPolarHBondContact O-CG 3.29Å; F125-Q129 PolarHBondContact O-NE2 3.41Å
126	I	96.3	Very high	95.1	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-61.1	-48.4	-179.3	-74.5	167.1	0	0	0	110.9	Y91 V115 I117 E122 Q123 Q128 Q129 L130 I179 M201	Y91-I126 HydrophobicContact CE1-CD1 4.33Å; V115-I126 HydrophobicContact CG2-CD1 3.59Å; I117-I126 HydrophobicContact CD1-CD1 3.48Å; I117-I126 VanDerWaalsContact CD1-CD1 3.48Å; I117-I126 HydrophobicContact CD1-CG2 4.49Å; I117-I126 HydrophobicContact CG1-CD1 3.52Å; E122-I126 HydrophobicContact CG-CD1 3.82Å; E122-I126 WeakPolarHBondContact O-CB 3.17Å; E122-I126 WeakPolarHBondContact O-CG1 3.32Å; E122-I126 PolarHBondContact O-N 3.37Å; Q123-I126 PolarHBondContact O-N 3.47Å; I126-Q128 PolarHBondContact O-N 2.86Å; I126-Q128 VanDerWaalsContact O-N 3.16Å; I126-Q129 PolarHBondContact O-N 3.08Å; I126-L130 HydrophobicContact CG2-CD1 4.5Å; I126-L130 HydrophobicContact CG2-CD2 4.17Å; I126-L130 HydrophobicContact CG2-CG 4.48Å; I126-L130 WeakPolarHBondContact O-CG 3.49Å; I126-I179 HydrophobicContact CG2-CD1 4.29Å; I126-M201 HydrophobicContact CB-CE 4.3Å; I126-M201 HydrophobicContact CG1-CE 3.98Å; I126-M201 HydrophobicContact CG2-CE 3.78Å; I126-M201 HydrophobicContact CG2-SD 3.65Å
127	T	95.2	Very high	95.2	Very high	31 Å²	31	50.4 Å²	50.4	19%	0.19	28%	0.28	C	S	.	.	H	α-helix	trans	-59.7	-29.2	-177	53	0	0	0	0	113.7	Q123 N124 Q129 L130 I179 C187	Q123-T127 HydrophobicContact CG-CG2 4.48Å; Q123-T127 VanDerWaalsContact O-CG2 3.23Å; Q123-T127 WeakPolarHBondContact O-CG2 3.41Å; Q123-T127 PolarHBondContact O-N 3.11Å; Q123-T127 PolarHBondContact O-OG1 3.16Å; Q123-T127 VanDerWaalsContact O-OG1 3.11Å; N124-T127 WeakPolarHBondContact CA-OG1 3.38Å; N124-T127 PolarHBondContact O-OG1 3.2Å; T127-Q129 PolarHBondContact O-N 2.79Å; T127-L130 PolarHBondContact O-N 2.83Å; T127-I179 HydrophobicContact CG2-CD1 3.87Å; T127-C187 HydrophobicContact CG2-CB 3.41Å; T127-C187 VanDerWaalsContact CG2-CB 3.41Å
128	Q	95.3	Very high	95.3	Very high	148 Å²	148	50.4 Å²	50.4	69%	0.692	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-17.8	175.9	-68.8	170.4	28.1	0	0	113.6	N124 F125 I126	N124-Q128 WeakPolarHBondContact O-CG 3.44Å; N124-Q128 PolarHBondContact O-NE2 3.33Å; F125-Q128 PolarHBondContact O-N 2.93Å; I126-Q128 PolarHBondContact O-N 2.86Å; I126-Q128 VanDerWaalsContact O-N 3.16Å
129	Q	93.2	Very high	95.6	Very high	63 Å²	63	47.3 Å²	47.3	29%	0.294	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	-9.2	-177.7	-42.2	-56.5	-53.9	0	0	113.3	I93 F125 I126 T127	I93-Q129 HydrophobicContact CD1-CB 3.35Å; I93-Q129 HydrophobicContact CD1-CG 4.37Å; I93-Q129 WeakPolarHBondContact CD1-O 3.34Å; F125-Q129 WeakPolarHBondContact O-CG 3.29Å; F125-Q129 PolarHBondContact O-NE2 3.41Å; I126-Q129 PolarHBondContact O-N 3.08Å; T127-Q129 PolarHBondContact O-N 2.79Å
130	L	91.6	Very high	95.8	Very high	22 Å²	22	44.1 Å²	44.1	12%	0.115	24%	0.241	C	C	.	.	S	Bend	trans	-79.9	146.1	-172.4	-55.4	-174.9	0	0	0	112.3	I126 T127 Y136 I179 M201	I126-L130 HydrophobicContact CG2-CD1 4.5Å; I126-L130 HydrophobicContact CG2-CD2 4.17Å; I126-L130 HydrophobicContact CG2-CG 4.48Å; I126-L130 WeakPolarHBondContact O-CG 3.49Å; T127-L130 PolarHBondContact O-N 2.83Å; L130-Y136 HydrophobicContact CB-CD2 4.45Å; L130-Y136 HydrophobicContact CB-CE2 3.91Å; L130-Y136 HydrophobicContact CD1-CD2 4.34Å; L130-Y136 HydrophobicContact CD2-CD2 3.7Å; L130-Y136 HydrophobicContact CD2-CE2 3.76Å; L130-Y136 HydrophobicContact CD2-CG 4.1Å; L130-Y136 HydrophobicContact CG-CD2 4.37Å; L130-Y136 HydrophobicContact CG-CE2 4.27Å; L130-I179 HydrophobicContact CD1-CD1 3.9Å; L130-I179 HydrophobicContact CD1-CG1 3.9Å; L130-I179 HydrophobicContact CD1-CG2 3.85Å; L130-M201 HydrophobicContact CD2-SD 3.4Å; L130-M201 WeakPolarHBondContact CD2-SD 3.45Å
131	N	94.2	Very high	96	Very high	87 Å²	87	38.8 Å²	38.8	47%	0.465	22%	0.218	S	C	.	.			trans	-80.1	118	159.9	179	-20.6	0	0	0	108.7	S133 V134 Y136	N131-S133 PolarHBondContact O-N 3.25Å; N131-S133 WeakPolarHBondContact OD1-CB 3.33Å; N131-S133 PolarHBondContact OD1-N 3.5Å; N131-V134 HydrophobicContact CB-CG2 3.81Å; N131-V134 VanDerWaalsContact O-CG2 3.32Å; N131-V134 WeakPolarHBondContact O-CG2 3.49Å; N131-V134 PolarHBondContact O-N 3.23Å; N131-Y136 WeakPolarHBondContact CB-OH 3.18Å; N131-Y136 PolarHBondContact N-OH 3.04Å; N131-Y136 VanDerWaalsContact N-OH 3.08Å
132	M	93.7	Very high	96	Very high	111 Å²	111	36.5 Å²	36.5	55%	0.547	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-11.4	-175.7	-65.1	179.1	-179.8	0	0	114.5	Y181	M132-Y181 HydrophobicContact CB-CD1 3.99Å; M132-Y181 HydrophobicContact CB-CD2 4.44Å; M132-Y181 HydrophobicContact CB-CG 3.91Å; M132-Y181 HydrophobicContact CE-CE2 4.4Å; M132-Y181 HydrophobicContact CG-CD1 4.44Å; M132-Y181 HydrophobicContact CG-CD2 4.05Å; M132-Y181 HydrophobicContact CG-CG 4.02Å; M132-Y181 HydrophobicContact SD-CD2 4.09Å; M132-Y181 HydrophobicContact SD-CE1 4.48Å; M132-Y181 HydrophobicContact SD-CE2 3.95Å; M132-Y181 HydrophobicContact SD-CG 4.42Å
133	S	94.1	Very high	95.9	Very high	111 Å²	111	39.7 Å²	39.7	78%	0.776	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.4	1.4	-179.8	-56.3	0	0	0	0	114	N131	N131-S133 PolarHBondContact O-N 3.25Å; N131-S133 WeakPolarHBondContact OD1-CB 3.33Å; N131-S133 PolarHBondContact OD1-N 3.5Å
134	V	95.6	Very high	95.8	Very high	35 Å²	35	46.4 Å²	46.4	21%	0.212	25%	0.251	C	S	.	.	S	Bend	trans	-140.6	157.9	-174.9	-63.6	0	0	0	0	111.1	N131 Y136 N199	N131-V134 HydrophobicContact CB-CG2 3.81Å; N131-V134 VanDerWaalsContact O-CG2 3.32Å; N131-V134 WeakPolarHBondContact O-CG2 3.49Å; N131-V134 PolarHBondContact O-N 3.23Å; V134-Y136 HydrophobicContact CG2-CD2 4.46Å; V134-Y136 HydrophobicContact CG2-CE2 3.55Å; V134-Y136 WeakPolarHBondContact CG2-OH 3.21Å; V134-N199 WeakPolarHBondContact CB-ND2 3.37Å; V134-N199 VanDerWaalsContact CG2-ND2 3.25Å; V134-N199 WeakPolarHBondContact CG2-ND2 3.41Å
135	A	97.3	Very high	95.6	Very high	14 Å²	14	44.2 Å²	44.2	12%	0.116	25%	0.245	C	C	.	.			trans	-104.1	153.2	173.9	0	0	0	0	0	111.3	I179 V180 Y198 N199	A135-I179 WeakPolarHBondContact CA-O 3.36Å; A135-V180 HydrophobicContact CB-CB 3.93Å; A135-V180 HydrophobicContact CB-CG2 4.02Å; A135-Y198 HydrophobicContact CB-CD1 3.76Å; A135-Y198 HydrophobicContact CB-CE1 4.09Å; A135-N199 WeakPolarHBondContact O-CB 3.14Å; A135-N199 PolarHBondContact O-N 2.9Å
136	Y	98.4	Very high	95.4	Very high	8 Å²	8	47.1 Å²	47.1	3%	0.031	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	130.2	-177.4	-59.9	-100.1	0	0	0	110.3	I93 L130 N131 V134 S178 I179 N199 M201	I93-Y136 HydrophobicContact CG2-CD1 4.19Å; I93-Y136 HydrophobicContact CG2-CE1 3.52Å; L130-Y136 HydrophobicContact CB-CD2 4.45Å; L130-Y136 HydrophobicContact CB-CE2 3.91Å; L130-Y136 HydrophobicContact CD1-CD2 4.34Å; L130-Y136 HydrophobicContact CD2-CD2 3.7Å; L130-Y136 HydrophobicContact CD2-CE2 3.76Å; L130-Y136 HydrophobicContact CD2-CG 4.1Å; L130-Y136 HydrophobicContact CG-CD2 4.37Å; L130-Y136 HydrophobicContact CG-CE2 4.27Å; N131-Y136 WeakPolarHBondContact CB-OH 3.18Å; N131-Y136 PolarHBondContact N-OH 3.04Å; N131-Y136 VanDerWaalsContact N-OH 3.08Å; V134-Y136 HydrophobicContact CG2-CD2 4.46Å; V134-Y136 HydrophobicContact CG2-CE2 3.55Å; V134-Y136 WeakPolarHBondContact CG2-OH 3.21Å; Y136-S178 CarbonylContact O-C 3.32Å; Y136-S178 WeakPolarHBondContact O-CA 3.31Å; Y136-S178 WeakPolarHBondContact O-CB 3.41Å; Y136-I179 PolarHBondContact N-O 2.92Å; Y136-I179 PolarHBondContact O-N 3.39Å; Y136-N199 CarbonylContact C-O 3.42Å; Y136-N199 VanDerWaalsContact CA-O 3.29Å; Y136-N199 WeakPolarHBondContact CA-O 3.39Å; Y136-N199 HydrophobicContact CD1-CB 3.32Å; Y136-N199 HydrophobicContact CE1-CB 3.51Å; Y136-N199 HydrophobicContact CG-CB 4.02Å; Y136-M201 HydrophobicContact CD1-CG 4.13Å; Y136-M201 HydrophobicContact CG-CG 4.47Å
137	F	98.7	Very high	95.2	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	142.9	173	-79.4	-52.2	0	0	0	112.3	N98 I99 W100 L114 C176 V192 S196 Y198 N199	N98-F137 VanDerWaalsContact O-CE2 3.29Å; N98-F137 WeakPolarHBondContact O-CE2 3.23Å; I99-F137 VanDerWaalsContact C-CE2 3.49Å; W100-F137 VanDerWaalsContact CA-CE2 3.46Å; W100-F137 HydrophobicContact CB-CD1 4.3Å; W100-F137 HydrophobicContact CB-CD2 4.3Å; W100-F137 HydrophobicContact CB-CE1 3.89Å; W100-F137 HydrophobicContact CB-CE2 3.91Å; W100-F137 HydrophobicContact CB-CG 4.45Å; W100-F137 HydrophobicContact CB-CZ 3.64Å; W100-F137 AromaticContact CD1-CD1 3.5Å; W100-F137 VanDerWaalsContact CD1-CD1 3.5Å; W100-F137 AromaticContact CD1-CE1 3.84Å; W100-F137 AromaticContact CD1-CG 3.75Å; W100-F137 HydrophobicContact CG-CD1 4.29Å; W100-F137 HydrophobicContact CG-CE1 4.29Å; W100-F137 HydrophobicContact CG-CG 4.45Å; W100-F137 HydrophobicContact CG-CZ 4.47Å; L114-F137 HydrophobicContact CD2-CB 4.32Å; F137-C176 HydrophobicContact CE1-CB 4.07Å; F137-V192 HydrophobicContact CD1-CG2 4.21Å; F137-V192 HydrophobicContact CE1-CG2 3.62Å; F137-S196 WeakPolarHBondContact CZ-O 3.42Å; F137-Y198 HydrophobicContact CD1-CD2 4.26Å; F137-Y198 HydrophobicContact CD2-CD2 4.45Å; F137-Y198 AromaticContact CE1-CD2 3.6Å; F137-Y198 HydrophobicContact CE1-CD2 3.6Å; F137-Y198 HydrophobicContact CE1-CE2 4.18Å; F137-Y198 HydrophobicContact CE1-CG 4.46Å; F137-Y198 AromaticContact CE2-CD2 3.79Å; F137-Y198 HydrophobicContact CE2-CD2 3.79Å; F137-Y198 HydrophobicContact CE2-CG 4.33Å; F137-Y198 AromaticContact CZ-CD2 3.37Å; F137-Y198 HydrophobicContact CZ-CD2 3.37Å; F137-Y198 HydrophobicContact CZ-CE2 4.13Å; F137-Y198 HydrophobicContact CZ-CG 4.28Å; F137-N199 PolarHBondContact N-O 2.97Å
138	L	98.4	Very high	95	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	160.6	170.9	-55.9	177.8	0	0	0	109.7	W100 V115 I117 L140 A177 I179 W189	W100-L138 PolarHBondContact NE1-O 2.83Å; V115-L138 HydrophobicContact CG1-CD2 3.62Å; I117-L138 HydrophobicContact CD1-CD2 3.74Å; I117-L138 HydrophobicContact CG1-CD2 4.5Å; L138-L140 HydrophobicContact CB-CB 4.3Å; L138-L140 PolarHBondContact O-N 2.79Å; L138-A177 HydrophobicContact CB-CB 4.35Å; L138-A177 HydrophobicContact CD1-CB 4.23Å; L138-A177 PolarHBondContact N-O 3.1Å; L138-I179 HydrophobicContact CD1-CB 4.43Å; L138-I179 HydrophobicContact CD2-CB 4.12Å; L138-I179 HydrophobicContact CD2-CG2 3.89Å; L138-I179 HydrophobicContact CG-CB 4.47Å; L138-W189 HydrophobicContact CD1-CB 4.43Å; L138-W189 HydrophobicContact CD1-CD2 3.89Å; L138-W189 HydrophobicContact CD1-CG 3.75Å
139	G	98.2	Very high	95	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	32.9	171.7	0	0	0	0	0	113.2	L114 V115 W151 I152	L114-G139 VanDerWaalsContact CB-CA 3.45Å; V115-G139 PolarHBondContact O-N 3.18Å; G139-W151 CarbonylContact O-C 3.03Å; G139-W151 WeakPolarHBondContact O-CA 3.43Å; G139-I152 WeakPolarHBondContact O-CB 3.41Å; G139-I152 PolarHBondContact O-N 2.94Å
140	L	97.8	Very high	95.1	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	126.6	-175.3	-175	64.3	0	0	0	109.6	L138 W149 Q150 W151 F157 W164 A177 W189	L138-L140 HydrophobicContact CB-CB 4.3Å; L138-L140 PolarHBondContact O-N 2.79Å; L140-W149 HydrophobicContact CD1-CB 3.91Å; L140-W149 HydrophobicContact CD1-CE3 4.37Å; L140-W149 HydrophobicContact CD2-CE3 4.29Å; L140-W149 HydrophobicContact CG-CB 4.41Å; L140-W149 HydrophobicContact CG-CD2 4.44Å; L140-W149 HydrophobicContact CG-CE3 3.73Å; L140-W149 HydrophobicContact CG-CZ3 4.41Å; L140-Q150 WeakPolarHBondContact CA-O 3.36Å; L140-W151 HydrophobicContact CB-CD2 4.38Å; L140-W151 HydrophobicContact CB-CE3 3.71Å; L140-W151 HydrophobicContact CB-CH2 3.96Å; L140-W151 HydrophobicContact CB-CZ3 3.51Å; L140-W151 HydrophobicContact CD1-CD2 3.79Å; L140-W151 HydrophobicContact CD1-CE3 4Å; L140-W151 HydrophobicContact CD1-CG 4.26Å; L140-W151 HydrophobicContact CD1-CH2 4.38Å; L140-W151 HydrophobicContact CD1-CZ2 4.19Å; L140-W151 HydrophobicContact CD1-CZ3 4.32Å; L140-W151 HydrophobicContact CD2-CH2 4Å; L140-W151 HydrophobicContact CD2-CZ2 4.17Å; L140-W151 HydrophobicContact CD2-CZ3 4.42Å; L140-W151 HydrophobicContact CG-CE3 4.39Å; L140-W151 HydrophobicContact CG-CH2 4.34Å; L140-W151 HydrophobicContact CG-CZ3 4.28Å; L140-F157 HydrophobicContact CD1-CD2 3.6Å; L140-F157 HydrophobicContact CD1-CE2 3.86Å; L140-F157 HydrophobicContact CD1-CG 4.45Å; L140-F157 HydrophobicContact CD2-CD2 4.41Å; L140-F157 HydrophobicContact CD2-CE2 3.83Å; L140-W164 HydrophobicContact CD2-CH2 4.14Å; L140-W164 HydrophobicContact CD2-CZ2 3.69Å; L140-A177 HydrophobicContact CB-CB 3.8Å; L140-A177 HydrophobicContact CD2-CB 3.96Å; L140-A177 HydrophobicContact CG-CB 4.07Å; L140-A177 WeakPolarHBondContact O-CB 3.21Å; L140-A177 PolarHBondContact O-N 2.79Å; L140-W189 HydrophobicContact CD2-CE3 3.95Å; L140-W189 HydrophobicContact CD2-CZ3 3.83Å
141	S	97.6	Very high	95.4	Very high	17 Å²	17	49.4 Å²	49.4	12%	0.119	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	158.8	178.9	61.3	0	0	0	0	112.5	W149 Q150 P175	S141-W149 CarbonylContact O-C 3.44Å; S141-W149 WeakPolarHBondContact O-CA 3.24Å; S141-Q150 PolarHBondContact N-O 3.28Å; S141-Q150 VanDerWaalsContact N-O 3.08Å; S141-Q150 PolarHBondContact O-N 3.4Å; S141-P175 CarbonylContact C-O 3.59Å; S141-P175 WeakPolarHBondContact CA-O 3.37Å; S141-P175 WeakPolarHBondContact CB-O 3.32Å
142	D	96.4	Very high	95.6	Very high	7 Å²	7	48 Å²	48	4%	0.037	27%	0.27	C	S	.	.			trans	-121.9	79.9	168.9	176.5	15.1	0	0	0	109.3	Q144 G145 N146 G147 K148 W149 P175	D142-Q144 PolarHBondContact O-N 2.77Å; D142-G145 PolarHBondContact O-N 2.71Å; D142-G145 PolarHBondContact OD1-N 3.04Å; D142-G145 WeakPolarHBondContact OD2-CA 3.29Å; D142-N146 PolarHBondContact OD1-N 2.81Å; D142-N146 PolarHBondContact OD1-OD1 3.12Å; D142-N146 PolarHBondContact OD2-N 2.88Å; D142-G147 VanDerWaalsContact OD2-CA 3.3Å; D142-G147 WeakPolarHBondContact OD2-CA 3.1Å; D142-G147 PolarHBondContact OD2-N 3.07Å; D142-K148 PolarHBondContact OD1-N 2.85Å; D142-K148 PolarHBondContact OD2-N 2.04Å; D142-W149 HydrophobicContact CB-CD2 3.89Å; D142-W149 HydrophobicContact CB-CE3 4.02Å; D142-W149 HydrophobicContact CB-CG 4.3Å; D142-W149 HydrophobicContact CB-CZ2 4.37Å; D142-W149 HydrophobicContact CB-CZ3 4.37Å; D142-P175 PolarHBondContact N-O 2.86Å; D142-P175 WeakPolarHBondContact O-CB 3.38Å
143	P	93.3	Very high	95.6	Very high	76 Å²	76	45.8 Å²	45.8	49%	0.494	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-14.3	-170.7	-25.2	34.6	0	0	0	115.4
144	Q	93.9	Very high	95.6	Very high	148 Å²	148	45.7 Å²	45.7	69%	0.692	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109	-1.6	-177.9	-61.1	-61.6	-62.2	0	0	112.9	D142 N146	D142-Q144 PolarHBondContact O-N 2.77Å; Q144-N146 WeakPolarHBondContact CB-ND2 3.49Å; Q144-N146 PolarHBondContact O-N 2.75Å
145	G	92.1	Very high	95.5	Very high	25 Å²	25	46.3 Å²	46.3	26%	0.258	26%	0.263	S	S	.	.	S	Bend	trans	56.2	34.3	-178.9	0	0	0	0	0	113.3	D142	D142-G145 PolarHBondContact O-N 2.71Å; D142-G145 PolarHBondContact OD1-N 3.04Å; D142-G145 WeakPolarHBondContact OD2-CA 3.29Å
146	N	92.8	Very high	95.3	Very high	87 Å²	87	51 Å²	51	47%	0.465	29%	0.293	S	S	.	.	S	Bend	trans	-116.4	16.1	-175.2	67	20	0	0	0	113.4	D142 Q144 K148	D142-N146 PolarHBondContact OD1-N 2.81Å; D142-N146 PolarHBondContact OD1-OD1 3.12Å; D142-N146 PolarHBondContact OD2-N 2.88Å; Q144-N146 WeakPolarHBondContact CB-ND2 3.49Å; Q144-N146 PolarHBondContact O-N 2.75Å; N146-K148 VanDerWaalsContact C-N 3.33Å; N146-K148 WeakPolarHBondContact OD1-CB 3.48Å; N146-K148 WeakPolarHBondContact OD1-CD 3.46Å; N146-K148 WeakPolarHBondContact OD1-CG 3.06Å; N146-K148 PolarHBondContact OD1-N 3.25Å
147	G	90.8	Very high	94.9	Very high	42 Å²	42	52.3 Å²	52.3	43%	0.433	30%	0.299	S	S	.	.	S	Bend	trans	80.2	6.6	-177.7	0	0	0	0	0	114.2	D142 W149	D142-G147 VanDerWaalsContact OD2-CA 3.3Å; D142-G147 WeakPolarHBondContact OD2-CA 3.1Å; D142-G147 PolarHBondContact OD2-N 3.07Å; G147-W149 PolarHBondContact O-N 3.41Å
148	K	92.5	Very high	94.3	Very high	138 Å²	138	54.8 Å²	54.8	60%	0.6	32%	0.316	S	S	*	.			trans	-98	75.3	-177.1	-63.7	179	-177.6	177.3	0	111.6	D142 N146 Q150	D142-K148 PolarHBondContact OD1-N 2.85Å; D142-K148 PolarHBondContact OD2-N 2.04Å; N146-K148 VanDerWaalsContact C-N 3.33Å; N146-K148 WeakPolarHBondContact OD1-CB 3.48Å; N146-K148 WeakPolarHBondContact OD1-CD 3.46Å; N146-K148 WeakPolarHBondContact OD1-CG 3.06Å; N146-K148 PolarHBondContact OD1-N 3.25Å; K148-Q150 PolarHBondContact O-NE2 2.9Å
149	W	95.1	Very high	93	Very high	20 Å²	20	61.4 Å²	61.4	8%	0.076	35%	0.347	C	S	.	.			trans	-61.6	138	174.6	-65.5	91.9	0	0	0	113	L140 S141 D142 G147 F157 W164 P169 A177 D191	L140-W149 HydrophobicContact CD1-CB 3.91Å; L140-W149 HydrophobicContact CD1-CE3 4.37Å; L140-W149 HydrophobicContact CD2-CE3 4.29Å; L140-W149 HydrophobicContact CG-CB 4.41Å; L140-W149 HydrophobicContact CG-CD2 4.44Å; L140-W149 HydrophobicContact CG-CE3 3.73Å; L140-W149 HydrophobicContact CG-CZ3 4.41Å; S141-W149 CarbonylContact O-C 3.44Å; S141-W149 WeakPolarHBondContact O-CA 3.24Å; D142-W149 HydrophobicContact CB-CD2 3.89Å; D142-W149 HydrophobicContact CB-CE3 4.02Å; D142-W149 HydrophobicContact CB-CG 4.3Å; D142-W149 HydrophobicContact CB-CZ2 4.37Å; D142-W149 HydrophobicContact CB-CZ3 4.37Å; G147-W149 PolarHBondContact O-N 3.41Å; W149-F157 HydrophobicContact CB-CD1 4Å; W149-F157 HydrophobicContact CB-CD2 4.32Å; W149-F157 HydrophobicContact CB-CE1 4.04Å; W149-F157 HydrophobicContact CB-CE2 4.36Å; W149-F157 HydrophobicContact CB-CG 4.15Å; W149-F157 HydrophobicContact CB-CZ 4.23Å; W149-F157 WeakPolarHBondContact O-CB 3.41Å; W149-W164 AromaticContact CD2-CH2 4Å; W149-W164 HydrophobicContact CD2-CH2 4Å; W149-W164 AromaticContact CD2-CZ2 3.82Å; W149-W164 HydrophobicContact CD2-CZ2 3.82Å; W149-W164 AromaticContact CE2-CH2 3.76Å; W149-W164 AromaticContact CE2-CZ2 3.78Å; W149-W164 HydrophobicContact CE3-CH2 4.06Å; W149-W164 HydrophobicContact CE3-CZ2 4.2Å; W149-W164 HydrophobicContact CG-CZ2 4.23Å; W149-W164 AromaticContact CH2-CH2 3.63Å; W149-W164 HydrophobicContact CH2-CH2 3.63Å; W149-W164 HydrophobicContact CH2-CZ2 4.42Å; W149-W164 HydrophobicContact CH2-CZ3 4.43Å; W149-W164 AromaticContact CZ2-CH2 3.58Å; W149-W164 HydrophobicContact CZ2-CH2 3.58Å; W149-W164 HydrophobicContact CZ2-CZ2 4.1Å; W149-W164 HydrophobicContact CZ2-CZ3 4.39Å; W149-W164 AromaticContact CZ3-CH2 3.87Å; W149-W164 HydrophobicContact CZ3-CH2 3.87Å; W149-W164 HydrophobicContact CZ3-CZ2 4.46Å; W149-P169 HydrophobicContact CZ2-CB 3.58Å; W149-P169 HydrophobicContact CZ2-CG 4.01Å; W149-A177 HydrophobicContact CH2-CB 4.48Å; W149-A177 HydrophobicContact CZ3-CB 3.93Å; W149-D191 HydrophobicContact CH2-CB 3.73Å; W149-D191 HydrophobicContact CZ2-CB 3.89Å
150	Q	95.8	Very high	91.8	Very high	104 Å²	104	67.5 Å²	67.5	49%	0.486	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	133	-174.8	-70.3	162.9	63.4	0	0	110	L140 S141 K148	L140-Q150 WeakPolarHBondContact CA-O 3.36Å; S141-Q150 PolarHBondContact N-O 3.28Å; S141-Q150 VanDerWaalsContact N-O 3.08Å; S141-Q150 PolarHBondContact O-N 3.4Å; K148-Q150 PolarHBondContact O-NE2 2.9Å
151	W	97.4	Very high	90.7	Very high	8 Å²	8	68.8 Å²	68.8	3%	0.03	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	143.5	169.6	-69	116.1	0	0	0	110.6	V116 I117 G139 L140 D153 S154 F157 W189	V116-W151 HydrophobicContact CB-CD2 4.38Å; V116-W151 HydrophobicContact CB-CE3 4Å; V116-W151 HydrophobicContact CB-CZ3 4.46Å; V116-W151 HydrophobicContact CG1-CB 4.12Å; V116-W151 HydrophobicContact CG1-CD2 3.7Å; V116-W151 HydrophobicContact CG1-CE3 3.83Å; V116-W151 HydrophobicContact CG1-CG 3.83Å; V116-W151 HydrophobicContact CG1-CZ3 4.48Å; V116-W151 HydrophobicContact CG2-CB 4.29Å; V116-W151 HydrophobicContact CG2-CD2 4.4Å; V116-W151 HydrophobicContact CG2-CE3 3.87Å; I117-W151 HydrophobicContact CB-CH2 4.08Å; I117-W151 VanDerWaalsContact N-CH2 3.33Å; I117-W151 WeakPolarHBondContact O-CZ2 3.4Å; G139-W151 CarbonylContact O-C 3.03Å; G139-W151 WeakPolarHBondContact O-CA 3.43Å; L140-W151 HydrophobicContact CB-CD2 4.38Å; L140-W151 HydrophobicContact CB-CE3 3.71Å; L140-W151 HydrophobicContact CB-CH2 3.96Å; L140-W151 HydrophobicContact CB-CZ3 3.51Å; L140-W151 HydrophobicContact CD1-CD2 3.79Å; L140-W151 HydrophobicContact CD1-CE3 4Å; L140-W151 HydrophobicContact CD1-CG 4.26Å; L140-W151 HydrophobicContact CD1-CH2 4.38Å; L140-W151 HydrophobicContact CD1-CZ2 4.19Å; L140-W151 HydrophobicContact CD1-CZ3 4.32Å; L140-W151 HydrophobicContact CD2-CH2 4Å; L140-W151 HydrophobicContact CD2-CZ2 4.17Å; L140-W151 HydrophobicContact CD2-CZ3 4.42Å; L140-W151 HydrophobicContact CG-CE3 4.39Å; L140-W151 HydrophobicContact CG-CH2 4.34Å; L140-W151 HydrophobicContact CG-CZ3 4.28Å; W151-D153 WeakPolarHBondContact CB-OD1 2.66Å; W151-D153 PolarHBondContact O-N 3.45Å; W151-S154 PolarHBondContact O-N 3.14Å; W151-F157 HydrophobicContact CZ2-CD2 4.41Å; W151-F157 HydrophobicContact CZ2-CE2 4.5Å; W151-F157 AromaticContact NE1-CD2 3.6Å; W151-W189 AromaticContact CH2-CH2 3.71Å; W151-W189 HydrophobicContact CH2-CH2 3.71Å; W151-W189 HydrophobicContact CH2-CZ2 4.1Å; W151-W189 HydrophobicContact CH2-CZ3 4.27Å; W151-W189 AromaticContact CZ2-CH2 3.62Å; W151-W189 HydrophobicContact CZ2-CH2 3.62Å; W151-W189 HydrophobicContact CZ2-CZ2 4.39Å; W151-W189 HydrophobicContact CZ2-CZ3 4.14Å
152	I	97.6	Very high	89.6	Confident	57 Å²	57	78.1 Å²	78.1	29%	0.292	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-27.2	-177.2	-165.3	54	0	0	0	113	W100 E104 H113 V116 G139 S154	W100-I152 HydrophobicContact CH2-CD1 3.74Å; W100-I152 HydrophobicContact CH2-CG1 4.4Å; W100-I152 HydrophobicContact CZ2-CD1 4.45Å; E104-I152 HydrophobicContact CG-CG1 4.49Å; H113-I152 HydrophobicContact CB-CG2 3.88Å; V116-I152 HydrophobicContact CG2-CG2 3.85Å; G139-I152 WeakPolarHBondContact O-CB 3.41Å; G139-I152 PolarHBondContact O-N 2.94Å; I152-S154 VanDerWaalsContact C-N 3.3Å
153	D	94.6	Very high	89.5	Confident	65 Å²	65	79.9 Å²	79.9	35%	0.348	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	7.6	177.8	76.1	-21.3	0	0	0	113.5	V116 W151 T155	V116-D153 HydrophobicContact CG2-CB 4.17Å; W151-D153 WeakPolarHBondContact CB-OD1 2.66Å; W151-D153 PolarHBondContact O-N 3.45Å; D153-T155 PolarHBondContact O-N 3.21Å; D153-T155 WeakPolarHBondContact OD1-CB 3.31Å; D153-T155 PolarHBondContact OD1-N 2.91Å; D153-T155 PolarHBondContact OD1-OG1 2.96Å; D153-T155 VanDerWaalsContact OD1-OG1 3.04Å; D153-T155 PolarHBondContact OD2-OG1 3.35Å
154	S	94.4	Very high	89.6	Confident	109 Å²	109	78.1 Å²	78.1	76%	0.762	41%	0.41	S	S	*	.			trans	64.5	12.6	-174.7	-50.5	0	0	0	0	115.4	W151 I152	W151-S154 PolarHBondContact O-N 3.14Å; I152-S154 VanDerWaalsContact C-N 3.3Å
155	T	92.8	Very high	89.7	Confident	47 Å²	47	71.6 Å²	71.6	29%	0.288	38%	0.379	S	S	.	.			trans	-58.8	133.4	170	-70.8	0	0	0	0	109.5	T118 D153 F157	T118-T155 HydrophobicContact CG2-CG2 3.85Å; D153-T155 PolarHBondContact O-N 3.21Å; D153-T155 WeakPolarHBondContact OD1-CB 3.31Å; D153-T155 PolarHBondContact OD1-N 2.91Å; D153-T155 PolarHBondContact OD1-OG1 2.96Å; D153-T155 VanDerWaalsContact OD1-OG1 3.04Å; D153-T155 PolarHBondContact OD2-OG1 3.35Å; T155-F157 PolarHBondContact O-N 2.9Å; T155-F157 VanDerWaalsContact O-N 3.14Å
156	P	92.2	Very high	89.8	Confident	114 Å²	114	75.9 Å²	75.9	74%	0.74	40%	0.395	S	S	*	.			trans	-58.3	121.7	178.4	-26.6	35.1	0	0	0	111.8	S158	P156-S158 PolarHBondContact O-N 2.88Å; P156-S158 VanDerWaalsContact O-N 3.15Å
157	F	91.5	Very high	89.8	Confident	34 Å²	34	77.6 Å²	77.6	15%	0.149	41%	0.405	C	S	.	.			trans	-70.9	110.3	173.5	-177.2	-100.2	0	0	0	109.9	L140 W149 W151 T155 Q159 W164 W189	L140-F157 HydrophobicContact CD1-CD2 3.6Å; L140-F157 HydrophobicContact CD1-CE2 3.86Å; L140-F157 HydrophobicContact CD1-CG 4.45Å; L140-F157 HydrophobicContact CD2-CD2 4.41Å; L140-F157 HydrophobicContact CD2-CE2 3.83Å; W149-F157 HydrophobicContact CB-CD1 4Å; W149-F157 HydrophobicContact CB-CD2 4.32Å; W149-F157 HydrophobicContact CB-CE1 4.04Å; W149-F157 HydrophobicContact CB-CE2 4.36Å; W149-F157 HydrophobicContact CB-CG 4.15Å; W149-F157 HydrophobicContact CB-CZ 4.23Å; W149-F157 WeakPolarHBondContact O-CB 3.41Å; W151-F157 HydrophobicContact CZ2-CD2 4.41Å; W151-F157 HydrophobicContact CZ2-CE2 4.5Å; W151-F157 AromaticContact NE1-CD2 3.6Å; T155-F157 PolarHBondContact O-N 2.9Å; T155-F157 VanDerWaalsContact O-N 3.14Å; F157-Q159 PolarHBondContact O-N 3.23Å; F157-W164 AromaticContact CZ-NE1 3.89Å; F157-W189 HydrophobicContact CE2-CZ3 4.23Å
158	S	84.7	Confident	90	Very high	53 Å²	53	77 Å²	77	37%	0.371	39%	0.39	S	S	.	.			trans	-80.8	117.2	174.7	176.8	0	0	0	0	110	P156 N160 I161	P156-S158 PolarHBondContact O-N 2.88Å; P156-S158 VanDerWaalsContact O-N 3.15Å; S158-N160 PolarHBondContact O-N 3.47Å; S158-N160 PolarHBondContact OG-N 2.98Å; S158-I161 WeakPolarHBondContact O-CB 3.43Å; S158-I161 PolarHBondContact O-N 3.41Å
159	Q	72.1	Confident	90.1	Very high	139 Å²	139	73 Å²	73	65%	0.65	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-11.7	174.2	-64.4	-70.6	-29.6	0	0	113.2	F157 I161	F157-Q159 PolarHBondContact O-N 3.23Å; Q159-I161 VanDerWaalsContact C-N 3.34Å
160	N	71.9	Confident	90.1	Very high	127 Å²	127	75.8 Å²	75.8	68%	0.679	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-6.1	174.7	-67.3	-30	0	0	0	113.4	S158 R162	S158-N160 PolarHBondContact O-N 3.47Å; S158-N160 PolarHBondContact OG-N 2.98Å; N160-R162 WeakPolarHBondContact O-CG 3.4Å; N160-R162 PolarHBondContact O-N 3.34Å
161	I	74.4	Confident	90	Very high	27 Å²	27	74.5 Å²	74.5	14%	0.138	39%	0.391	C	S	.	.			trans	-74.7	123.2	174.4	-66.7	170.7	0	0	0	108.7	S158 Q159 F163 W189	S158-I161 WeakPolarHBondContact O-CB 3.43Å; S158-I161 PolarHBondContact O-N 3.41Å; Q159-I161 VanDerWaalsContact C-N 3.34Å; I161-F163 HydrophobicContact CG2-CD2 3.31Å; I161-F163 HydrophobicContact CG2-CE2 3.64Å; I161-F163 HydrophobicContact CG2-CG 4.11Å; I161-W189 HydrophobicContact CG2-CH2 3.52Å; I161-W189 HydrophobicContact CG2-CZ2 4.4Å; I161-W189 HydrophobicContact CG2-CZ3 3.8Å
162	R	74.7	Confident	89.8	Confident	213 Å²	213	77.8 Å²	77.8	80%	0.804	41%	0.414	S	S	*	.			trans	-116.3	32.3	-168.8	-57.9	-172.3	-179.1	-153.1	-2.6	113.7	N160 W164	N160-R162 WeakPolarHBondContact O-CG 3.4Å; N160-R162 PolarHBondContact O-N 3.34Å; R162-W164 VanDerWaalsContact C-N 3.28Å
163	F	94.6	Very high	89.8	Confident	44 Å²	44	80.8 Å²	80.8	19%	0.193	43%	0.426	C	S	.	.			trans	-83.4	-6	-178.7	-57	-47.2	0	0	0	113.3	I117 E120 Q123 I161 G188 W189	I117-F163 HydrophobicContact CG2-CD2 4.29Å; I117-F163 HydrophobicContact CG2-CE2 4.28Å; E120-F163 HydrophobicContact CB-CE1 4.3Å; E120-F163 HydrophobicContact CB-CZ 3.96Å; E120-F163 HydrophobicContact CG-CE1 4.25Å; E120-F163 HydrophobicContact CG-CZ 4.41Å; Q123-F163 HydrophobicContact CB-CD1 4.32Å; Q123-F163 HydrophobicContact CB-CD2 4.28Å; Q123-F163 HydrophobicContact CB-CE1 4.14Å; Q123-F163 HydrophobicContact CB-CE2 4.1Å; Q123-F163 HydrophobicContact CB-CG 4.41Å; Q123-F163 HydrophobicContact CB-CZ 4.05Å; Q123-F163 HydrophobicContact CG-CD1 3.8Å; Q123-F163 HydrophobicContact CG-CD2 4.32Å; Q123-F163 HydrophobicContact CG-CE1 4.04Å; Q123-F163 HydrophobicContact CG-CG 3.97Å; Q123-F163 HydrophobicContact CG-CZ 4.42Å; I161-F163 HydrophobicContact CG2-CD2 3.31Å; I161-F163 HydrophobicContact CG2-CE2 3.64Å; I161-F163 HydrophobicContact CG2-CG 4.11Å; F163-G188 CarbonylContact O-C 3.49Å; F163-G188 VanDerWaalsContact O-CA 3.22Å; F163-G188 WeakPolarHBondContact O-CA 3.31Å; F163-W189 HydrophobicContact CB-CD2 3.65Å; F163-W189 HydrophobicContact CB-CE3 4.13Å; F163-W189 HydrophobicContact CB-CG 4.11Å; F163-W189 HydrophobicContact CB-CH2 4.11Å; F163-W189 HydrophobicContact CB-CZ2 3.62Å; F163-W189 HydrophobicContact CB-CZ3 4.34Å; F163-W189 AromaticContact CD2-CH2 3.71Å; F163-W189 HydrophobicContact CD2-CH2 3.71Å; F163-W189 AromaticContact CD2-CZ2 3.39Å; F163-W189 HydrophobicContact CD2-CZ2 3.39Å; F163-W189 HydrophobicContact CE2-CZ2 4.46Å; F163-W189 HydrophobicContact CG-CH2 4.42Å; F163-W189 AromaticContact CG-CZ2 3.96Å; F163-W189 HydrophobicContact CG-CZ2 3.96Å; F163-W189 PolarHBondContact O-N 3.5Å
164	W	95.4	Very high	89.9	Confident	40 Å²	40	78.8 Å²	78.8	15%	0.152	42%	0.415	C	S	.	.	B	Isolated β-bridge	trans	-56.2	142.5	167.2	-63.6	106.7	0	0	0	112.1	L140 W149 F157 R162 E168 P169 A177 W189 D191	L140-W164 HydrophobicContact CD2-CH2 4.14Å; L140-W164 HydrophobicContact CD2-CZ2 3.69Å; W149-W164 AromaticContact CD2-CH2 4Å; W149-W164 HydrophobicContact CD2-CH2 4Å; W149-W164 AromaticContact CD2-CZ2 3.82Å; W149-W164 HydrophobicContact CD2-CZ2 3.82Å; W149-W164 AromaticContact CE2-CH2 3.76Å; W149-W164 AromaticContact CE2-CZ2 3.78Å; W149-W164 HydrophobicContact CE3-CH2 4.06Å; W149-W164 HydrophobicContact CE3-CZ2 4.2Å; W149-W164 HydrophobicContact CG-CZ2 4.23Å; W149-W164 AromaticContact CH2-CH2 3.63Å; W149-W164 HydrophobicContact CH2-CH2 3.63Å; W149-W164 HydrophobicContact CH2-CZ2 4.42Å; W149-W164 HydrophobicContact CH2-CZ3 4.43Å; W149-W164 AromaticContact CZ2-CH2 3.58Å; W149-W164 HydrophobicContact CZ2-CH2 3.58Å; W149-W164 HydrophobicContact CZ2-CZ2 4.1Å; W149-W164 HydrophobicContact CZ2-CZ3 4.39Å; W149-W164 AromaticContact CZ3-CH2 3.87Å; W149-W164 HydrophobicContact CZ3-CH2 3.87Å; W149-W164 HydrophobicContact CZ3-CZ2 4.46Å; F157-W164 AromaticContact CZ-NE1 3.89Å; R162-W164 VanDerWaalsContact C-N 3.28Å; W164-E168 HydrophobicContact CB-CB 4.39Å; W164-E168 WeakPolarHBondContact CB-O 3.25Å; W164-E168 HydrophobicContact CE3-CB 3.99Å; W164-P169 HydrophobicContact CE3-CB 4.32Å; W164-P169 HydrophobicContact CH2-CB 4.23Å; W164-P169 HydrophobicContact CH2-CG 4.5Å; W164-P169 HydrophobicContact CZ2-CG 4.4Å; W164-P169 HydrophobicContact CZ3-CB 4.07Å; W164-A177 HydrophobicContact CH2-CB 3.78Å; W164-A177 HydrophobicContact CZ3-CB 4.25Å; W164-W189 HydrophobicContact CD2-CB 3.97Å; W164-W189 HydrophobicContact CD2-CE3 4.08Å; W164-W189 AromaticContact CE2-CE3 3.85Å; W164-W189 HydrophobicContact CE3-CB 3.57Å; W164-W189 HydrophobicContact CG-CE3 4.33Å; W164-W189 HydrophobicContact CZ2-CE3 4.24Å; W164-W189 HydrophobicContact CZ3-CB 3.97Å; W164-W189 AromaticContact NE1-CE3 3.96Å; W164-D191 HydrophobicContact CZ3-CB 4.32Å
165	H	96.4	Very high	90	Very high	11 Å²	11	75.1 Å²	75.1	5%	0.051	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-62.3	157.1	166.4	-86	-59.3	0	0	0	110.8	N167 E168 V180 W182 K186 G188 W189	H165-N167 PolarHBondContact O-N 3.17Å; H165-E168 HydrophobicContact CB-CB 4.34Å; H165-E168 HydrophobicContact CB-CG 3.71Å; H165-E168 PolarHBondContact O-N 2.9Å; H165-V180 PolarHBondContact NE2-O 3.32Å; H165-W182 HydrophobicContact CB-CE3 3.81Å; H165-W182 HydrophobicContact CB-CH2 4.25Å; H165-W182 HydrophobicContact CB-CZ3 3.47Å; H165-W182 VanDerWaalsContact CB-CZ3 3.47Å; H165-W182 AromaticContact CD2-CD2 3.76Å; H165-W182 AromaticContact CD2-CE3 3.52Å; H165-W182 AromaticContact CD2-CZ3 3.76Å; H165-W182 AromaticContact CG-CE3 3.41Å; H165-W182 VanDerWaalsContact CG-CE3 3.41Å; H165-W182 AromaticContact CG-CZ3 3.59Å; H165-W182 AromaticContact ND1-CE3 3.75Å; H165-W182 AromaticContact NE2-CD2 3.81Å; H165-W182 AromaticContact NE2-CE3 3.89Å; H165-W182 AromaticContact NE2-CG 3.99Å; H165-K186 PolarHBondContact CE1-O 3.45Å; H165-K186 VanDerWaalsContact CE1-O 3.23Å; H165-G188 VanDerWaalsContact CD2-C 3.47Å; H165-G188 PolarHBondContact CE1-N 3.37Å; H165-G188 WeakPolarHBondContact NE2-CA 3.39Å; H165-G188 PolarHBondContact NE2-N 3.01Å; H165-G188 VanDerWaalsContact NE2-N 3.18Å; H165-G188 PolarHBondContact NE2-O 2.98Å; H165-W189 PolarHBondContact N-O 2.7Å
166	L	93.8	Very high	90.3	Very high	114 Å²	114	73 Å²	73	60%	0.597	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	125.4	175.4	177.2	70.9	0	0	0	109.8	R185	L166-R185 PolarHBondContact O-NH1 2.94Å; L166-R185 VanDerWaalsContact O-NH1 3.16Å
167	N	92.8	Very high	90.5	Very high	123 Å²	123	67.5 Å²	67.5	66%	0.658	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.5	2.9	-173.5	-52.3	-30	0	0	0	115.7	H165 N170	H165-N167 PolarHBondContact O-N 3.17Å; N167-N170 WeakPolarHBondContact O-CB 3.42Å
168	E	94.8	Very high	90.9	Very high	29 Å²	29	66 Å²	66	14%	0.136	33%	0.333	C	S	.	.			trans	-99.4	151.7	171.9	-50.6	-51.7	158.5	0	0	111.7	W164 H165 N170 W182 N190	W164-E168 HydrophobicContact CB-CB 4.39Å; W164-E168 WeakPolarHBondContact CB-O 3.25Å; W164-E168 HydrophobicContact CE3-CB 3.99Å; H165-E168 HydrophobicContact CB-CB 4.34Å; H165-E168 HydrophobicContact CB-CG 3.71Å; H165-E168 PolarHBondContact O-N 2.9Å; E168-N170 PolarHBondContact OE1-ND2 3.35Å; E168-N170 VanDerWaalsContact OE2-CB 3.24Å; E168-N170 WeakPolarHBondContact OE2-CB 3.46Å; E168-N170 PolarHBondContact OE2-N 2.81Å; E168-N170 PolarHBondContact OE2-ND2 3.15Å; E168-W182 HydrophobicContact CG-CH2 4.05Å; E168-W182 HydrophobicContact CG-CZ3 4.24Å; E168-W182 WeakPolarHBondContact OE1-CH2 3.29Å; E168-N190 WeakPolarHBondContact CG-OD1 3.46Å; E168-N190 PolarHBondContact OE1-OD1 2.86Å
169	P	94.4	Very high	91.5	Very high	54 Å²	54	63.4 Å²	63.4	35%	0.351	32%	0.316	S	S	.	.	S	Bend	cis	-71	147	-9.3	31.4	-34.7	0	0	0	112.3	W149 W164 D191	W149-P169 HydrophobicContact CZ2-CB 3.58Å; W149-P169 HydrophobicContact CZ2-CG 4.01Å; W164-P169 HydrophobicContact CE3-CB 4.32Å; W164-P169 HydrophobicContact CH2-CB 4.23Å; W164-P169 HydrophobicContact CH2-CG 4.5Å; W164-P169 HydrophobicContact CZ2-CG 4.4Å; W164-P169 HydrophobicContact CZ3-CB 4.07Å; P169-D191 WeakPolarHBondContact CA-OD1 3.46Å; P169-D191 HydrophobicContact CB-CB 3.81Å; P169-D191 VanDerWaalsContact CB-CG 3.49Å; P169-D191 WeakPolarHBondContact CB-OD2 3.17Å
170	N	94.9	Very high	92.7	Very high	79 Å²	79	57.9 Å²	57.9	42%	0.422	29%	0.291	S	S	.	.			trans	-118.4	-21	-170.4	68.6	22.1	0	0	0	115.7	N167 E168 D191	N167-N170 WeakPolarHBondContact O-CB 3.42Å; E168-N170 PolarHBondContact OE1-ND2 3.35Å; E168-N170 VanDerWaalsContact OE2-CB 3.24Å; E168-N170 WeakPolarHBondContact OE2-CB 3.46Å; E168-N170 PolarHBondContact OE2-N 2.81Å; E168-N170 PolarHBondContact OE2-ND2 3.15Å; N170-D191 PolarHBondContact N-OD1 3.2Å; N170-D191 VanDerWaalsContact N-OD1 3.15Å; N170-D191 PolarHBondContact N-OD2 3.37Å
171	L	94.7	Very high	93.9	Very high	78 Å²	78	54.9 Å²	54.9	41%	0.408	27%	0.271	S	S	.	.			trans	-133.2	118.2	-171.5	-76.3	174.8	0	0	0	111.8	E173 E174 D191	L171-E173 PolarHBondContact O-N 2.8Å; L171-E173 VanDerWaalsContact O-N 3.13Å; L171-E174 HydrophobicContact CB-CB 4.15Å; L171-E174 HydrophobicContact CB-CG 3.92Å; L171-E174 HydrophobicContact CD1-CG 4.3Å; L171-E174 PolarHBondContact O-N 3.2Å; L171-D191 PolarHBondContact N-OD2 2.79Å
172	P	93.5	Very high	94.8	Very high	77 Å²	77	57.4 Å²	57.4	50%	0.5	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-28.3	173.3	-28.1	37.1	0	0	0	114.5	E174	P172-E174 PolarHBondContact O-N 2.99Å
173	E	96.3	Very high	95.6	Very high	119 Å²	119	54.8 Å²	54.8	56%	0.556	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-4.2	178.2	-60.5	79.8	-176.1	0	0	113.7	L171 P175 F193	L171-E173 PolarHBondContact O-N 2.8Å; L171-E173 VanDerWaalsContact O-N 3.13Å; E173-P175 WeakPolarHBondContact O-CD 3.47Å; E173-F193 HydrophobicContact CB-CE1 3.95Å; E173-F193 WeakPolarHBondContact O-CD1 3.14Å; E173-F193 WeakPolarHBondContact O-CE1 3.33Å
174	E	97.1	Very high	95.3	Very high	24 Å²	24	57.5 Å²	57.5	11%	0.112	30%	0.297	C	S	.	.			trans	-108.5	62.3	178	-68.3	-156.5	115.2	0	0	112.1	L171 P172 C176 D191 V192 F193	L171-E174 HydrophobicContact CB-CB 4.15Å; L171-E174 HydrophobicContact CB-CG 3.92Å; L171-E174 HydrophobicContact CD1-CG 4.3Å; L171-E174 PolarHBondContact O-N 3.2Å; P172-E174 PolarHBondContact O-N 2.99Å; E174-C176 PolarHBondContact O-N 2.91Å; E174-D191 HydrophobicContact CB-CB 4.04Å; E174-D191 WeakPolarHBondContact O-CB 3.45Å; E174-V192 CarbonylContact C-O 3.23Å; E174-V192 VanDerWaalsContact C-O 3.23Å; E174-V192 WeakPolarHBondContact CA-O 3.3Å; E174-V192 VanDerWaalsContact CB-C 3.46Å; E174-V192 WeakPolarHBondContact OE1-CA 3.49Å; E174-F193 HydrophobicContact CG-CD1 4.19Å; E174-F193 HydrophobicContact CG-CD2 3.88Å; E174-F193 HydrophobicContact CG-CE1 4.08Å; E174-F193 HydrophobicContact CG-CE2 3.75Å; E174-F193 HydrophobicContact CG-CG 4.09Å; E174-F193 HydrophobicContact CG-CZ 3.86Å; E174-F193 WeakPolarHBondContact OE1-CD2 3.37Å; E174-F193 VanDerWaalsContact OE1-CE2 3.24Å; E174-F193 WeakPolarHBondContact OE1-CE2 3.24Å; E174-F193 PolarHBondContact OE1-N 3.23Å
175	P	97.1	Very high	94.8	Very high	32 Å²	32	61.4 Å²	61.4	21%	0.208	31%	0.312	C	S	.	.	B	Isolated β-bridge	trans	-76.3	11.3	-165.4	29.7	-34.9	0	0	0	115.3	S141 D142 E173	S141-P175 CarbonylContact C-O 3.59Å; S141-P175 WeakPolarHBondContact CA-O 3.37Å; S141-P175 WeakPolarHBondContact CB-O 3.32Å; D142-P175 PolarHBondContact N-O 2.86Å; D142-P175 WeakPolarHBondContact O-CB 3.38Å; E173-P175 WeakPolarHBondContact O-CD 3.47Å
176	C	98.4	Very high	94.6	Very high	1 Å²	1	68 Å²	68	1%	0.007	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	142	178.5	-77.4	0	0	0	0	111	W100 F137 E174 D191 V192 C194	W100-C176 HydrophobicContact CB-CB 4.38Å; W100-C176 VanDerWaalsContact CB-SG 3.54Å; W100-C176 VanDerWaalsContact CD1-SG 3.51Å; W100-C176 HydrophobicContact CG-CB 4.13Å; F137-C176 HydrophobicContact CE1-CB 4.07Å; E174-C176 PolarHBondContact O-N 2.91Å; C176-D191 CarbonylContact O-C 3.58Å; C176-D191 WeakPolarHBondContact O-CA 3.45Å; C176-V192 HydrophobicContact CB-CG2 4.32Å; C176-V192 PolarHBondContact N-O 3.43Å; C176-V192 VanDerWaalsContact O-CG2 3.3Å; C176-V192 WeakPolarHBondContact O-CG2 3.38Å; C176-V192 PolarHBondContact O-N 2.73Å; C176-C194 HydrophobicContact CB-CB 4Å; C176-C194 WeakPolarHBondContact CB-SG 3.33Å; C176-C194 VanDerWaalsContact SG-CA 3.58Å; C176-C194 WeakPolarHBondContact SG-CB 3.42Å; C176-C194 CovalentContact SG-SG 2.02Å; C176-C194 PolarHBondContact SG-SG 3.39Å
177	A	97.9	Very high	94.7	Very high	0 Å²	0	64 Å²	64	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	146.6	177.2	0	0	0	0	0	112.2	L138 L140 W149 W164	L138-A177 HydrophobicContact CB-CB 4.35Å; L138-A177 HydrophobicContact CD1-CB 4.23Å; L138-A177 PolarHBondContact N-O 3.1Å; L140-A177 HydrophobicContact CB-CB 3.8Å; L140-A177 HydrophobicContact CD2-CB 3.96Å; L140-A177 HydrophobicContact CG-CB 4.07Å; L140-A177 WeakPolarHBondContact O-CB 3.21Å; L140-A177 PolarHBondContact O-N 2.79Å; W149-A177 HydrophobicContact CH2-CB 4.48Å; W149-A177 HydrophobicContact CZ3-CB 3.93Å; W164-A177 HydrophobicContact CH2-CB 3.78Å; W164-A177 HydrophobicContact CZ3-CB 4.25Å
178	S	98.2	Very high	94.9	Very high	1 Å²	1	58.3 Å²	58.3	1%	0.007	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	156	170.2	69.2	0	0	0	0	110.7	Y136 W189 N190 V192	Y136-S178 CarbonylContact O-C 3.32Å; Y136-S178 WeakPolarHBondContact O-CA 3.31Å; Y136-S178 WeakPolarHBondContact O-CB 3.41Å; S178-W189 CarbonylContact O-C 3.44Å; S178-W189 WeakPolarHBondContact O-CA 3.3Å; S178-N190 PolarHBondContact N-O 3.16Å; S178-N190 PolarHBondContact O-N 3.11Å; S178-N190 PolarHBondContact OG-O 2.92Å; S178-V192 WeakPolarHBondContact OG-CG1 3.36Å
179	I	97.9	Very high	95	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	130.6	166.2	-173.6	164.6	0	0	0	109.8	Q123 I126 T127 L130 A135 Y136 L138 C187 G188	Q123-I179 VanDerWaalsContact NE2-CD1 3.31Å; I126-I179 HydrophobicContact CG2-CD1 4.29Å; T127-I179 HydrophobicContact CG2-CD1 3.87Å; L130-I179 HydrophobicContact CD1-CD1 3.9Å; L130-I179 HydrophobicContact CD1-CG1 3.9Å; L130-I179 HydrophobicContact CD1-CG2 3.85Å; A135-I179 WeakPolarHBondContact CA-O 3.36Å; Y136-I179 PolarHBondContact N-O 2.92Å; Y136-I179 PolarHBondContact O-N 3.39Å; L138-I179 HydrophobicContact CD1-CB 4.43Å; L138-I179 HydrophobicContact CD2-CB 4.12Å; L138-I179 HydrophobicContact CD2-CG2 3.89Å; L138-I179 HydrophobicContact CG-CB 4.47Å; I179-C187 HydrophobicContact CG1-CB 4.47Å; I179-G188 WeakPolarHBondContact CA-O 3.48Å
180	V	97.5	Very high	95.2	Very high	22 Å²	22	55.4 Å²	55.4	13%	0.133	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	147.1	-174.5	65.5	0	0	0	0	111.5	A135 H165 W182 C187 G188 N190	A135-V180 HydrophobicContact CB-CB 3.93Å; A135-V180 HydrophobicContact CB-CG2 4.02Å; H165-V180 PolarHBondContact NE2-O 3.32Å; V180-W182 HydrophobicContact CG1-CD2 4.4Å; V180-W182 HydrophobicContact CG1-CZ2 4.03Å; V180-C187 WeakPolarHBondContact O-CA 3.26Å; V180-G188 PolarHBondContact N-O 3.32Å; V180-G188 PolarHBondContact O-N 2.99Å; V180-N190 HydrophobicContact CG1-CB 3.83Å
181	Y	96.4	Very high	95.3	Very high	65 Å²	65	51.7 Å²	51.7	26%	0.255	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	123.5	174.2	177.7	-89.1	0	0	0	111.2	M132 H183 K186	M132-Y181 HydrophobicContact CB-CD1 3.99Å; M132-Y181 HydrophobicContact CB-CD2 4.44Å; M132-Y181 HydrophobicContact CB-CG 3.91Å; M132-Y181 HydrophobicContact CE-CE2 4.4Å; M132-Y181 HydrophobicContact CG-CD1 4.44Å; M132-Y181 HydrophobicContact CG-CD2 4.05Å; M132-Y181 HydrophobicContact CG-CG 4.02Å; M132-Y181 HydrophobicContact SD-CD2 4.09Å; M132-Y181 HydrophobicContact SD-CE1 4.48Å; M132-Y181 HydrophobicContact SD-CE2 3.95Å; M132-Y181 HydrophobicContact SD-CG 4.42Å; Y181-H183 HydrophobicContact CE1-CB 4.11Å; Y181-H183 PolarHBondContact OH-ND1 2.94Å; Y181-K186 WeakPolarHBondContact CA-O 3.11Å; Y181-K186 HydrophobicContact CE2-CB 4.24Å; Y181-K186 HydrophobicContact CE2-CG 4.5Å
182	W	94.7	Very high	95.5	Very high	80 Å²	80	48 Å²	48	30%	0.303	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	122.3	172.4	-66.7	-16.7	0	0	0	110.2	H165 E168 V180 P184 R185 K186 N190	H165-W182 HydrophobicContact CB-CE3 3.81Å; H165-W182 HydrophobicContact CB-CH2 4.25Å; H165-W182 HydrophobicContact CB-CZ3 3.47Å; H165-W182 VanDerWaalsContact CB-CZ3 3.47Å; H165-W182 AromaticContact CD2-CD2 3.76Å; H165-W182 AromaticContact CD2-CE3 3.52Å; H165-W182 AromaticContact CD2-CZ3 3.76Å; H165-W182 AromaticContact CG-CE3 3.41Å; H165-W182 VanDerWaalsContact CG-CE3 3.41Å; H165-W182 AromaticContact CG-CZ3 3.59Å; H165-W182 AromaticContact ND1-CE3 3.75Å; H165-W182 AromaticContact NE2-CD2 3.81Å; H165-W182 AromaticContact NE2-CE3 3.89Å; H165-W182 AromaticContact NE2-CG 3.99Å; E168-W182 HydrophobicContact CG-CH2 4.05Å; E168-W182 HydrophobicContact CG-CZ3 4.24Å; E168-W182 WeakPolarHBondContact OE1-CH2 3.29Å; V180-W182 HydrophobicContact CG1-CD2 4.4Å; V180-W182 HydrophobicContact CG1-CZ2 4.03Å; W182-P184 CarbonylContact O-C 3.49Å; W182-R185 CarbonylContact O-C 3.44Å; W182-R185 WeakPolarHBondContact O-CA 3.19Å; W182-R185 PolarHBondContact O-N 2.84Å; W182-K186 PolarHBondContact N-O 3.25Å; W182-K186 PolarHBondContact O-N 3.49Å; W182-N190 HydrophobicContact CH2-CB 4.41Å; W182-N190 VanDerWaalsContact CH2-OD1 3.26Å; W182-N190 WeakPolarHBondContact CH2-OD1 3.47Å; W182-N190 HydrophobicContact CZ2-CB 4.23Å
183	H	90.4	Very high	95.7	Very high	157 Å²	157	49.1 Å²	49.1	73%	0.727	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77	133.7	174.8	-169.5	69.6	0	0	0	110.2	Y181	Y181-H183 HydrophobicContact CE1-CB 4.11Å; Y181-H183 PolarHBondContact OH-ND1 2.94Å
184	P	89.6	Confident	95.8	Very high	101 Å²	101	45 Å²	45	66%	0.656	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	cis	-93.1	6.9	1.7	37.4	-36.4	0	0	0	115.1	W182 K186	W182-P184 CarbonylContact O-C 3.49Å; P184-K186 VanDerWaalsContact C-N 3.29Å; P184-K186 PolarHBondContact O-N 3.15Å
185	R	84.6	Confident	95.9	Very high	123 Å²	123	49.8 Å²	49.8	46%	0.464	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-9.2	-172.3	-60.6	-177.4	-179.3	-178.2	-1.1	115.4	L166 W182	L166-R185 PolarHBondContact O-NH1 2.94Å; L166-R185 VanDerWaalsContact O-NH1 3.16Å; W182-R185 CarbonylContact O-C 3.44Å; W182-R185 WeakPolarHBondContact O-CA 3.19Å; W182-R185 PolarHBondContact O-N 2.84Å
186	K	92.5	Very high	95.9	Very high	149 Å²	149	50.2 Å²	50.2	65%	0.648	25%	0.247	S	C	*	.	E	Extended strand (participates in β ladder)	trans	66.8	-155.3	-176.4	-53.6	-177.8	178.3	178.4	0	112.4	H165 Y181 W182 P184	H165-K186 PolarHBondContact CE1-O 3.45Å; H165-K186 VanDerWaalsContact CE1-O 3.23Å; Y181-K186 WeakPolarHBondContact CA-O 3.11Å; Y181-K186 HydrophobicContact CE2-CB 4.24Å; Y181-K186 HydrophobicContact CE2-CG 4.5Å; W182-K186 PolarHBondContact N-O 3.25Å; W182-K186 PolarHBondContact O-N 3.49Å; P184-K186 VanDerWaalsContact C-N 3.29Å; P184-K186 PolarHBondContact O-N 3.15Å
187	C	95.3	Very high	95.9	Very high	29 Å²	29	55 Å²	55	20%	0.196	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	135.3	-179.3	-63.3	0	0	0	0	111.3	T127 I179 V180	T127-C187 HydrophobicContact CG2-CB 3.41Å; T127-C187 VanDerWaalsContact CG2-CB 3.41Å; I179-C187 HydrophobicContact CG1-CB 4.47Å; V180-C187 WeakPolarHBondContact O-CA 3.26Å
188	G	96.9	Very high	95.9	Very high	4 Å²	4	57.6 Å²	57.6	4%	0.041	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	174.2	176.7	0	0	0	0	0	110	F163 H165 I179 V180	F163-G188 CarbonylContact O-C 3.49Å; F163-G188 VanDerWaalsContact O-CA 3.22Å; F163-G188 WeakPolarHBondContact O-CA 3.31Å; H165-G188 VanDerWaalsContact CD2-C 3.47Å; H165-G188 PolarHBondContact CE1-N 3.37Å; H165-G188 WeakPolarHBondContact NE2-CA 3.39Å; H165-G188 PolarHBondContact NE2-N 3.01Å; H165-G188 VanDerWaalsContact NE2-N 3.18Å; H165-G188 PolarHBondContact NE2-O 2.98Å; I179-G188 WeakPolarHBondContact CA-O 3.48Å; V180-G188 PolarHBondContact N-O 3.32Å; V180-G188 PolarHBondContact O-N 2.99Å
189	W	97.4	Very high	95.9	Very high	0 Å²	0	58 Å²	58	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	148.7	-179.2	-51	-15.8	0	0	0	111.5	I117 L138 L140 W151 F157 I161 F163 W164 H165 S178	I117-W189 HydrophobicContact CB-CH2 4.4Å; I117-W189 HydrophobicContact CB-CZ2 3.71Å; I117-W189 HydrophobicContact CD1-CZ2 4.27Å; I117-W189 HydrophobicContact CG2-CZ2 3.85Å; L138-W189 HydrophobicContact CD1-CB 4.43Å; L138-W189 HydrophobicContact CD1-CD2 3.89Å; L138-W189 HydrophobicContact CD1-CG 3.75Å; L140-W189 HydrophobicContact CD2-CE3 3.95Å; L140-W189 HydrophobicContact CD2-CZ3 3.83Å; W151-W189 AromaticContact CH2-CH2 3.71Å; W151-W189 HydrophobicContact CH2-CH2 3.71Å; W151-W189 HydrophobicContact CH2-CZ2 4.1Å; W151-W189 HydrophobicContact CH2-CZ3 4.27Å; W151-W189 AromaticContact CZ2-CH2 3.62Å; W151-W189 HydrophobicContact CZ2-CH2 3.62Å; W151-W189 HydrophobicContact CZ2-CZ2 4.39Å; W151-W189 HydrophobicContact CZ2-CZ3 4.14Å; F157-W189 HydrophobicContact CE2-CZ3 4.23Å; I161-W189 HydrophobicContact CG2-CH2 3.52Å; I161-W189 HydrophobicContact CG2-CZ2 4.4Å; I161-W189 HydrophobicContact CG2-CZ3 3.8Å; F163-W189 HydrophobicContact CB-CD2 3.65Å; F163-W189 HydrophobicContact CB-CE3 4.13Å; F163-W189 HydrophobicContact CB-CG 4.11Å; F163-W189 HydrophobicContact CB-CH2 4.11Å; F163-W189 HydrophobicContact CB-CZ2 3.62Å; F163-W189 HydrophobicContact CB-CZ3 4.34Å; F163-W189 AromaticContact CD2-CH2 3.71Å; F163-W189 HydrophobicContact CD2-CH2 3.71Å; F163-W189 AromaticContact CD2-CZ2 3.39Å; F163-W189 HydrophobicContact CD2-CZ2 3.39Å; F163-W189 HydrophobicContact CE2-CZ2 4.46Å; F163-W189 HydrophobicContact CG-CH2 4.42Å; F163-W189 AromaticContact CG-CZ2 3.96Å; F163-W189 HydrophobicContact CG-CZ2 3.96Å; F163-W189 PolarHBondContact O-N 3.5Å; W164-W189 HydrophobicContact CD2-CB 3.97Å; W164-W189 HydrophobicContact CD2-CE3 4.08Å; W164-W189 AromaticContact CE2-CE3 3.85Å; W164-W189 HydrophobicContact CE3-CB 3.57Å; W164-W189 HydrophobicContact CG-CE3 4.33Å; W164-W189 HydrophobicContact CZ2-CE3 4.24Å; W164-W189 HydrophobicContact CZ3-CB 3.97Å; W164-W189 AromaticContact NE1-CE3 3.96Å; H165-W189 PolarHBondContact N-O 2.7Å; S178-W189 CarbonylContact O-C 3.44Å; S178-W189 WeakPolarHBondContact O-CA 3.3Å
190	N	97.8	Very high	95.9	Very high	22 Å²	22	58 Å²	58	12%	0.118	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	133.9	178.4	-175	68.3	0	0	0	108.5	E168 S178 V180 W182 V192	E168-N190 WeakPolarHBondContact CG-OD1 3.46Å; E168-N190 PolarHBondContact OE1-OD1 2.86Å; S178-N190 PolarHBondContact N-O 3.16Å; S178-N190 PolarHBondContact O-N 3.11Å; S178-N190 PolarHBondContact OG-O 2.92Å; V180-N190 HydrophobicContact CG1-CB 3.83Å; W182-N190 HydrophobicContact CH2-CB 4.41Å; W182-N190 VanDerWaalsContact CH2-OD1 3.26Å; W182-N190 WeakPolarHBondContact CH2-OD1 3.47Å; W182-N190 HydrophobicContact CZ2-CB 4.23Å; N190-V192 VanDerWaalsContact ND2-CG1 3.31Å; N190-V192 WeakPolarHBondContact ND2-CG1 3.38Å
191	D	97.7	Very high	95.9	Very high	2 Å²	2	57 Å²	57	1%	0.011	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	140.9	167.9	55.3	-38.8	0	0	0	109.5	W149 W164 P169 N170 L171 E174 C176	W149-D191 HydrophobicContact CH2-CB 3.73Å; W149-D191 HydrophobicContact CZ2-CB 3.89Å; W164-D191 HydrophobicContact CZ3-CB 4.32Å; P169-D191 WeakPolarHBondContact CA-OD1 3.46Å; P169-D191 HydrophobicContact CB-CB 3.81Å; P169-D191 VanDerWaalsContact CB-CG 3.49Å; P169-D191 WeakPolarHBondContact CB-OD2 3.17Å; N170-D191 PolarHBondContact N-OD1 3.2Å; N170-D191 VanDerWaalsContact N-OD1 3.15Å; N170-D191 PolarHBondContact N-OD2 3.37Å; L171-D191 PolarHBondContact N-OD2 2.79Å; E174-D191 HydrophobicContact CB-CB 4.04Å; E174-D191 WeakPolarHBondContact O-CB 3.45Å; C176-D191 CarbonylContact O-C 3.58Å; C176-D191 WeakPolarHBondContact O-CA 3.45Å
192	V	98.1	Very high	96	Very high	1 Å²	1	54 Å²	54	1%	0.006	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	154.5	-176.2	-65.3	0	0	0	0	110.8	F137 E174 C176 S178 N190 C194 Y198	F137-V192 HydrophobicContact CD1-CG2 4.21Å; F137-V192 HydrophobicContact CE1-CG2 3.62Å; E174-V192 CarbonylContact C-O 3.23Å; E174-V192 VanDerWaalsContact C-O 3.23Å; E174-V192 WeakPolarHBondContact CA-O 3.3Å; E174-V192 VanDerWaalsContact CB-C 3.46Å; E174-V192 WeakPolarHBondContact OE1-CA 3.49Å; C176-V192 HydrophobicContact CB-CG2 4.32Å; C176-V192 PolarHBondContact N-O 3.43Å; C176-V192 VanDerWaalsContact O-CG2 3.3Å; C176-V192 WeakPolarHBondContact O-CG2 3.38Å; C176-V192 PolarHBondContact O-N 2.73Å; S178-V192 WeakPolarHBondContact OG-CG1 3.36Å; N190-V192 VanDerWaalsContact ND2-CG1 3.31Å; N190-V192 WeakPolarHBondContact ND2-CG1 3.38Å; V192-C194 PolarHBondContact O-N 2.88Å; V192-Y198 HydrophobicContact CB-CE2 3.72Å; V192-Y198 HydrophobicContact CG1-CE2 4.05Å; V192-Y198 WeakPolarHBondContact CG1-OH 3.21Å; V192-Y198 HydrophobicContact CG2-CD2 4.26Å; V192-Y198 HydrophobicContact CG2-CE2 3.68Å
193	F	98.2	Very high	96.2	Very high	99 Å²	99	51.2 Å²	51.2	43%	0.434	26%	0.257	S	S	.	.			trans	-56.5	124.5	166.6	-63.7	-78.8	0	0	0	111.2	E173 E174 D195 S196	E173-F193 HydrophobicContact CB-CE1 3.95Å; E173-F193 WeakPolarHBondContact O-CD1 3.14Å; E173-F193 WeakPolarHBondContact O-CE1 3.33Å; E174-F193 HydrophobicContact CG-CD1 4.19Å; E174-F193 HydrophobicContact CG-CD2 3.88Å; E174-F193 HydrophobicContact CG-CE1 4.08Å; E174-F193 HydrophobicContact CG-CE2 3.75Å; E174-F193 HydrophobicContact CG-CG 4.09Å; E174-F193 HydrophobicContact CG-CZ 3.86Å; E174-F193 WeakPolarHBondContact OE1-CD2 3.37Å; E174-F193 VanDerWaalsContact OE1-CE2 3.24Å; E174-F193 WeakPolarHBondContact OE1-CE2 3.24Å; E174-F193 PolarHBondContact OE1-N 3.23Å; F193-D195 PolarHBondContact O-N 3.02Å; F193-D195 VanDerWaalsContact O-N 3.16Å; F193-S196 WeakPolarHBondContact O-CB 3.45Å; F193-S196 PolarHBondContact O-N 2.89Å
194	C	98.3	Very high	96.4	Very high	32 Å²	32	44.5 Å²	44.5	22%	0.216	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-28.3	179.6	-62.6	0	0	0	0	113.7	I99 W100 C176 V192 S196	I99-C194 WeakPolarHBondContact CB-O 3.39Å; W100-C194 HydrophobicContact CB-CB 4.13Å; W100-C194 PolarHBondContact N-O 2.92Å; C176-C194 HydrophobicContact CB-CB 4Å; C176-C194 WeakPolarHBondContact CB-SG 3.33Å; C176-C194 VanDerWaalsContact SG-CA 3.58Å; C176-C194 WeakPolarHBondContact SG-CB 3.42Å; C176-C194 CovalentContact SG-SG 2.02Å; C176-C194 PolarHBondContact SG-SG 3.39Å; V192-C194 PolarHBondContact O-N 2.88Å; C194-S196 VanDerWaalsContact C-N 3.28Å; C194-S196 PolarHBondContact O-N 2.98Å
195	D	97.9	Very high	96.7	Very high	126 Å²	126	46 Å²	46	67%	0.674	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.2	1.6	-179.6	-63.8	-29.2	0	0	0	113.5	I99 F193	I99-D195 WeakPolarHBondContact CG2-O 3.44Å; F193-D195 PolarHBondContact O-N 3.02Å; F193-D195 VanDerWaalsContact O-N 3.16Å
196	S	97.9	Very high	97.1	Very high	41 Å²	41	41 Å²	41	29%	0.287	20%	0.204	S	C	.	.	S	Bend	trans	-80.8	148.2	172.4	-76.1	0	0	0	0	111.5	F137 F193 C194 Y198	F137-S196 WeakPolarHBondContact CZ-O 3.42Å; F193-S196 WeakPolarHBondContact O-CB 3.45Å; F193-S196 PolarHBondContact O-N 2.89Å; C194-S196 VanDerWaalsContact C-N 3.28Å; C194-S196 PolarHBondContact O-N 2.98Å; S196-Y198 WeakPolarHBondContact O-CD2 3Å; S196-Y198 PolarHBondContact O-N 3.13Å
197	N	98.1	Very high	97	Very high	101 Å²	101	34.8 Å²	34.8	54%	0.54	18%	0.179	S	C	.	.			trans	-87.8	106.5	-175.7	-74.1	-65.9	0	0	0	111.7	K97 N98	K97-N197 HydrophobicContact CB-CB 4.15Å; N98-N197 WeakPolarHBondContact CA-OD1 3.36Å; N98-N197 WeakPolarHBondContact O-CA 3.44Å
198	Y	98.1	Very high	96.6	Very high	54 Å²	54	36.9 Å²	36.9	21%	0.212	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	162.2	176.1	-60.4	-79.9	0	0	0	111.9	K97 N98 A135 F137 V192 S196	K97-Y198 CarbonylContact C-O 3.55Å; K97-Y198 WeakPolarHBondContact CA-O 3.44Å; N98-Y198 PolarHBondContact N-O 2.02Å; N98-Y198 PolarHBondContact O-N 3.33Å; A135-Y198 HydrophobicContact CB-CD1 3.76Å; A135-Y198 HydrophobicContact CB-CE1 4.09Å; F137-Y198 HydrophobicContact CD1-CD2 4.26Å; F137-Y198 HydrophobicContact CD2-CD2 4.45Å; F137-Y198 AromaticContact CE1-CD2 3.6Å; F137-Y198 HydrophobicContact CE1-CD2 3.6Å; F137-Y198 HydrophobicContact CE1-CE2 4.18Å; F137-Y198 HydrophobicContact CE1-CG 4.46Å; F137-Y198 AromaticContact CE2-CD2 3.79Å; F137-Y198 HydrophobicContact CE2-CD2 3.79Å; F137-Y198 HydrophobicContact CE2-CG 4.33Å; F137-Y198 AromaticContact CZ-CD2 3.37Å; F137-Y198 HydrophobicContact CZ-CD2 3.37Å; F137-Y198 HydrophobicContact CZ-CE2 4.13Å; F137-Y198 HydrophobicContact CZ-CG 4.28Å; V192-Y198 HydrophobicContact CB-CE2 3.72Å; V192-Y198 HydrophobicContact CG1-CE2 4.05Å; V192-Y198 WeakPolarHBondContact CG1-OH 3.21Å; V192-Y198 HydrophobicContact CG2-CD2 4.26Å; V192-Y198 HydrophobicContact CG2-CE2 3.68Å; S196-Y198 WeakPolarHBondContact O-CD2 3Å; S196-Y198 PolarHBondContact O-N 3.13Å
199	N	98.3	Very high	95.8	Very high	9 Å²	9	41.3 Å²	41.3	5%	0.048	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	174.7	165.1	-64.8	-38.7	0	0	0	109.5	S94 T95 K97 V134 A135 Y136 F137	S94-N199 WeakPolarHBondContact O-CB 3Å; T95-N199 PolarHBondContact O-OD1 3.24Å; K97-N199 WeakPolarHBondContact CG-OD1 3.42Å; V134-N199 WeakPolarHBondContact CB-ND2 3.37Å; V134-N199 VanDerWaalsContact CG2-ND2 3.25Å; V134-N199 WeakPolarHBondContact CG2-ND2 3.41Å; A135-N199 WeakPolarHBondContact O-CB 3.14Å; A135-N199 PolarHBondContact O-N 2.9Å; Y136-N199 CarbonylContact C-O 3.42Å; Y136-N199 VanDerWaalsContact CA-O 3.29Å; Y136-N199 WeakPolarHBondContact CA-O 3.39Å; Y136-N199 HydrophobicContact CD1-CB 3.32Å; Y136-N199 HydrophobicContact CE1-CB 3.51Å; Y136-N199 HydrophobicContact CG-CB 4.02Å; F137-N199 PolarHBondContact N-O 2.97Å
200	S	98.1	Very high	95.7	Very high	2 Å²	2	43.4 Å²	43.4	1%	0.014	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	162.1	179.4	47.5	0	0	0	0	111.7	S94	S94-S200 WeakPolarHBondContact CB-O 3.43Å; S94-S200 WeakPolarHBondContact CB-OG 3.24Å; S94-S200 PolarHBondContact N-O 3.41Å; S94-S200 PolarHBondContact O-N 3.22Å
201	M	97.6	Very high	95.6	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.005	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	129.3	171.8	-69	-175.2	63.4	0	0	109.4	L92 I93 L114 V115 I126 L130 Y136	L92-M201 CarbonylContact O-C 3.59Å; L92-M201 VanDerWaalsContact O-CA 3.29Å; L92-M201 WeakPolarHBondContact O-CA 3.3Å; I93-M201 HydrophobicContact CD1-CE 4.45Å; I93-M201 HydrophobicContact CG1-CE 3.91Å; I93-M201 HydrophobicContact CG1-CG 4.15Å; I93-M201 HydrophobicContact CG1-SD 4.31Å; L114-M201 WeakPolarHBondContact CA-O 3.11Å; V115-M201 HydrophobicContact CB-CB 4.12Å; V115-M201 HydrophobicContact CG1-CB 3.77Å; V115-M201 PolarHBondContact N-O 3.49Å; I126-M201 HydrophobicContact CB-CE 4.3Å; I126-M201 HydrophobicContact CG1-CE 3.98Å; I126-M201 HydrophobicContact CG2-CE 3.78Å; I126-M201 HydrophobicContact CG2-SD 3.65Å; L130-M201 HydrophobicContact CD2-SD 3.4Å; L130-M201 WeakPolarHBondContact CD2-SD 3.45Å; Y136-M201 HydrophobicContact CD1-CG 4.13Å; Y136-M201 HydrophobicContact CG-CG 4.47Å
202	C	98.1	Very high	95.5	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.007	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	149.3	174.1	-52.9	0	0	0	0	110.3	W83 Y91 L92 C107 M110 A112 H113	W83-C202 HydrophobicContact CH2-CB 3.7Å; W83-C202 HydrophobicContact CZ3-CB 4.09Å; Y91-C202 CarbonylContact C-O 3.57Å; Y91-C202 VanDerWaalsContact CA-O 3.28Å; Y91-C202 WeakPolarHBondContact CA-O 3.48Å; L92-C202 HydrophobicContact CB-CB 4.37Å; L92-C202 PolarHBondContact N-O 2.91Å; L92-C202 PolarHBondContact O-N 3.34Å; C107-C202 WeakPolarHBondContact CA-SG 3.05Å; C107-C202 HydrophobicContact CB-CB 3.73Å; C107-C202 WeakPolarHBondContact CB-SG 3.48Å; C107-C202 VanDerWaalsContact SG-CA 3.53Å; C107-C202 WeakPolarHBondContact SG-CB 3.06Å; C107-C202 CovalentContact SG-SG 2.04Å; C107-C202 PolarHBondContact SG-SG 3.04Å; M110-C202 HydrophobicContact CE-CB 4.43Å; M110-C202 VanDerWaalsContact CE-SG 3.54Å; A112-C202 HydrophobicContact CB-CB 4.02Å; H113-C202 CarbonylContact O-C 3.42Å; H113-C202 WeakPolarHBondContact O-CA 3.29Å
203	E	98.3	Very high	95.3	Very high	21 Å²	21	49.5 Å²	49.5	10%	0.098	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	136.9	175.3	-173.9	-169	164.8	0	0	110.4	S89 C90 Y91 A112 H113 V115 V116 K205	S89-E203 WeakPolarHBondContact CB-OE1 3.29Å; S89-E203 PolarHBondContact OG-OE1 3.43Å; C90-E203 VanDerWaalsContact O-CA 3.31Å; C90-E203 WeakPolarHBondContact O-CA 3.34Å; Y91-E203 HydrophobicContact CD1-CB 4.18Å; Y91-E203 HydrophobicContact CD1-CG 4.03Å; Y91-E203 HydrophobicContact CE1-CB 4.25Å; Y91-E203 HydrophobicContact CE1-CG 3.71Å; A112-E203 WeakPolarHBondContact CA-O 3.44Å; A112-E203 VanDerWaalsContact CB-O 3.29Å; A112-E203 WeakPolarHBondContact CB-O 3.42Å; H113-E203 PolarHBondContact N-O 3.16Å; H113-E203 PolarHBondContact O-N 2.72Å; V115-E203 HydrophobicContact CB-CB 4.24Å; V115-E203 HydrophobicContact CG2-CB 4.14Å; V116-E203 PolarHBondContact N-OE2 3.01Å; E203-K205 IonicContact OE1-NZ 2.67Å
204	M	96.1	Very high	95.1	Very high	17 Å²	17	46.4 Å²	46.4	8%	0.084	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	161.4	166.7	64.9	171.6	74.4	0	0	110	L55 H59 P80 W83 S89 C90 M110 A112	L55-M204 HydrophobicContact CD1-SD 4.04Å; H59-M204 WeakPolarHBondContact NE2-CE 3.42Å; P80-M204 HydrophobicContact CG-CE 4.23Å; P80-M204 HydrophobicContact CG-SD 4.14Å; W83-M204 HydrophobicContact CD2-CE 4.2Å; W83-M204 HydrophobicContact CE3-CE 4.01Å; W83-M204 HydrophobicContact CE3-CG 4.09Å; W83-M204 HydrophobicContact CH2-CE 3.39Å; W83-M204 HydrophobicContact CZ2-CE 3.53Å; W83-M204 HydrophobicContact CZ3-CB 4.47Å; W83-M204 HydrophobicContact CZ3-CE 3.64Å; W83-M204 HydrophobicContact CZ3-CG 3.87Å; W83-M204 HydrophobicContact CZ3-SD 4.45Å; S89-M204 CarbonylContact C-O 3.26Å; S89-M204 VanDerWaalsContact CA-O 3.25Å; S89-M204 WeakPolarHBondContact CA-O 3.35Å; S89-M204 WeakPolarHBondContact CB-O 3.33Å; C90-M204 HydrophobicContact CB-CG 3.75Å; C90-M204 PolarHBondContact N-O 3.35Å; C90-M204 PolarHBondContact O-N 3.17Å; M110-M204 WeakPolarHBondContact O-CE 3.44Å; A112-M204 HydrophobicContact CB-CB 3.99Å; A112-M204 HydrophobicContact CB-CE 4.15Å
205	K	95	Very high	94.9	Very high	133 Å²	133	47.4 Å²	47.4	58%	0.578	24%	0.235	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-71.7	147.9	172.5	-62.6	-57.3	179.1	-160.5	0	111.1	E203	E203-K205 IonicContact OE1-NZ 2.67Å
206	K	93.3	Very high	94.7	Very high	16 Å²	16	41.8 Å²	41.8	7%	0.07	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-60.9	143.4	169.2	-76.5	176.4	177	-180	0	110.4	E67 S85 G87 S88 S89 Y208	E67-K206 IonicContact OE1-NZ 3.65Å; E67-K206 PolarHBondContact OE1-NZ 3.11Å; S85-K206 WeakPolarHBondContact OG-CE 3.36Å; S85-K206 PolarHBondContact OG-NZ 3.01Å; G87-K206 WeakPolarHBondContact O-CE 3.47Å; G87-K206 PolarHBondContact O-NZ 2.94Å; S88-K206 PolarHBondContact O-N 2.88Å; S89-K206 WeakPolarHBondContact O-CE 3.48Å; K206-Y208 HydrophobicContact CB-CD2 4.38Å; K206-Y208 HydrophobicContact CB-CE2 3.9Å
207	T	90	Very high	94.4	Very high	20 Å²	20	41.8 Å²	41.8	12%	0.123	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	125.5	164.6	-66.1	0	0	0	0	108.5	L55 C78 L209	L55-T207 WeakPolarHBondContact CD2-OG1 3.34Å; C78-T207 WeakPolarHBondContact CB-O 3.35Å; C78-T207 PolarHBondContact N-O 2.73Å; C78-T207 PolarHBondContact O-N 3.09Å; C78-T207 VanDerWaalsContact O-N 3.11Å; T207-L209 HydrophobicContact CG2-CD2 4.25Å
208	Y	86.8	Confident	94.1	Very high	72 Å²	72	36.9 Å²	36.9	28%	0.282	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	129	178.7	-69.2	-82.1	0	0	0	110.8	E67 M75 W76 K206	E67-Y208 WeakPolarHBondContact OE2-CE1 3.19Å; E67-Y208 PolarHBondContact OE2-OH 2.81Å; M75-Y208 VanDerWaalsContact CE-CB 3.42Å; M75-Y208 HydrophobicContact CE-CD1 3.54Å; M75-Y208 HydrophobicContact CE-CD2 4.13Å; M75-Y208 HydrophobicContact CE-CE1 4.26Å; M75-Y208 HydrophobicContact CE-CG 3.44Å; M75-Y208 VanDerWaalsContact CE-CG 3.44Å; M75-Y208 HydrophobicContact CG-CD1 3.85Å; M75-Y208 HydrophobicContact CG-CG 4.48Å; M75-Y208 HydrophobicContact SD-CD1 4.01Å; M75-Y208 HydrophobicContact SD-CE1 4.49Å; M75-Y208 HydrophobicContact SD-CG 4.49Å; W76-Y208 CarbonylContact O-C 3.57Å; W76-Y208 VanDerWaalsContact O-CA 3.24Å; W76-Y208 WeakPolarHBondContact O-CA 3.21Å; K206-Y208 HydrophobicContact CB-CD2 4.38Å; K206-Y208 HydrophobicContact CB-CE2 3.9Å
209	L	80.1	Confident	93.8	Very high	97 Å²	97	35.4 Å²	35.4	51%	0.508	17%	0.165	S	C	.	.			trans	-117.3	0	178.5	-58.2	178.7	0	0	0	111.4	L52 W76 T207	L52-L209 HydrophobicContact CB-CD2 4.46Å; L52-L209 HydrophobicContact CD1-CD1 4.36Å; L52-L209 HydrophobicContact CD1-CD2 4.38Å; L52-L209 HydrophobicContact CD2-CD1 4.47Å; L52-L209 HydrophobicContact CD2-CD2 4.14Å; W76-L209 HydrophobicContact CB-CB 4.43Å; W76-L209 PolarHBondContact N-O 3.16Å; W76-L209 PolarHBondContact O-N 3.44Å; T207-L209 HydrophobicContact CG2-CD2 4.25Å

Retrieved 209 of 209 residues in 118.4 ms (Link to these results)

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