A0A3Q0KBD2_SCHMA Loading...

Adapter molecule crk, putative

AlphaFold DB , UniProt , Accession A0A3Q0KBD2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 255 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.3	Very low	64.5	Low	228 Å²	228	81.5 Å²	81.5	100%	1.123	46%	0.462	S	S	*	.				0	101.3	0	-79.1	-177.5	-79.8	0	0	107.9
2	A	39.9	Very low	67.1	Low	93 Å²	93	76 Å²	76	77%	0.769	43%	0.429	S	S	*	.			trans	-69.5	129.3	172.4	0	0	0	0	0	107.4	E4	A2-E4 PolarHBondContact O-N 3.32Å
3	V	49.8	Very low	69.3	Low	60 Å²	60	70.3 Å²	70.3	36%	0.364	40%	0.397	S	S	.	.			trans	-61.2	111.6	165.3	178	0	0	0	0	105.5	L5 W71 F78	V3-L5 PolarHBondContact O-N 3.39Å; V3-W71 HydrophobicContact CG2-CH2 3.32Å; V3-W71 HydrophobicContact CG2-CZ2 4.04Å; V3-W71 HydrophobicContact CG2-CZ3 3.72Å; V3-F78 HydrophobicContact CB-CE2 4.45Å; V3-F78 HydrophobicContact CB-CZ 4.39Å; V3-F78 HydrophobicContact CG1-CE2 4.22Å
4	E	50	Low	71.1	Confident	183 Å²	183	65.4 Å²	65.4	86%	0.855	37%	0.369	S	S	*	.			trans	-62.1	107.9	-179.8	-74.9	-175.8	162.1	0	0	108.4	A2	A2-E4 PolarHBondContact O-N 3.32Å
5	L	58.9	Low	72.6	Confident	18 Å²	18	65.7 Å²	65.7	9%	0.094	37%	0.366	C	S	.	.			trans	-59.5	141.4	162.5	-68.1	174.9	0	0	0	107.9	V3 P7 W11 Y12 Y44 L88	V3-L5 PolarHBondContact O-N 3.39Å; L5-P7 WeakPolarHBondContact O-CD 3.09Å; L5-W11 HydrophobicContact CD2-CH2 4.39Å; L5-Y12 HydrophobicContact CD1-CD1 4.13Å; L5-Y12 HydrophobicContact CD1-CD2 3.99Å; L5-Y12 HydrophobicContact CD1-CE1 3.73Å; L5-Y12 HydrophobicContact CD1-CE2 3.59Å; L5-Y12 HydrophobicContact CD1-CG 4.24Å; L5-Y12 VanDerWaalsContact CD1-CZ 3.43Å; L5-Y44 HydrophobicContact CD1-CE1 3.63Å; L5-Y44 VanDerWaalsContact CD1-OH 3.27Å; L5-Y44 WeakPolarHBondContact CD1-OH 2.82Å; L5-L88 HydrophobicContact CD2-CB 4.16Å; L5-L88 HydrophobicContact CD2-CD1 3.48Å; L5-L88 VanDerWaalsContact CD2-CD1 3.48Å; L5-L88 HydrophobicContact CD2-CG 3.97Å
6	V	62.5	Low	73.9	Confident	75 Å²	75	61.6 Å²	61.6	46%	0.455	34%	0.344	S	S	.	.			trans	-55.3	111.7	166.5	-176.8	0	0	0	0	106.7	D8 A9	V6-D8 PolarHBondContact O-N 3.07Å; V6-A9 HydrophobicContact CB-CB 4.38Å; V6-A9 WeakPolarHBondContact O-CB 3.41Å; V6-A9 PolarHBondContact O-N 3.27Å; V6-A9 VanDerWaalsContact O-N 3.08Å
7	P	62.2	Low	75	Confident	65 Å²	65	61.1 Å²	61.1	42%	0.422	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-28.2	-164.5	-28.6	35	0	0	0	114	L5	L5-P7 WeakPolarHBondContact O-CD 3.09Å
8	D	77.3	Confident	75.9	Confident	80 Å²	80	64.9 Å²	64.9	43%	0.428	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.1	22.4	-172.4	-56	-32.7	0	0	0	113	V6	V6-D8 PolarHBondContact O-N 3.07Å
9	A	90.5	Very high	76.7	Confident	4 Å²	4	66.1 Å²	66.1	3%	0.033	36%	0.356	C	S	.	.			trans	-56.7	126	177.3	0	0	0	0	0	110.9	V6 W11 Y12	V6-A9 HydrophobicContact CB-CB 4.38Å; V6-A9 WeakPolarHBondContact O-CB 3.41Å; V6-A9 PolarHBondContact O-N 3.27Å; V6-A9 VanDerWaalsContact O-N 3.08Å; A9-W11 HydrophobicContact CB-CD2 4.01Å; A9-W11 HydrophobicContact CB-CE3 4.4Å; A9-W11 HydrophobicContact CB-CH2 4.04Å; A9-W11 HydrophobicContact CB-CZ2 3.6Å; A9-W11 HydrophobicContact CB-CZ3 4.43Å; A9-W11 PolarHBondContact O-N 2.83Å; A9-W11 VanDerWaalsContact O-N 3.08Å; A9-Y12 PolarHBondContact O-N 3.16Å
10	P	93.2	Very high	77.4	Confident	75 Å²	75	65.6 Å²	65.6	49%	0.487	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-23.4	-172.2	23.9	-34.3	0	0	0	113.1	P107 K110	P10-P107 HydrophobicContact CB-CB 4.4Å; P10-P107 HydrophobicContact CB-CG 4.3Å; P10-K110 WeakPolarHBondContact O-CE 3.31Å; P10-K110 PolarHBondContact O-NZ 2.82Å
11	W	94.2	Very high	78.2	Confident	15 Å²	15	62.4 Å²	62.4	6%	0.057	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-12.7	177.3	44.2	-96.9	0	0	0	113.5	L5 A9 F13 F33 L34 I35 L88 D89 V92 P107	L5-W11 HydrophobicContact CD2-CH2 4.39Å; A9-W11 HydrophobicContact CB-CD2 4.01Å; A9-W11 HydrophobicContact CB-CE3 4.4Å; A9-W11 HydrophobicContact CB-CH2 4.04Å; A9-W11 HydrophobicContact CB-CZ2 3.6Å; A9-W11 HydrophobicContact CB-CZ3 4.43Å; A9-W11 PolarHBondContact O-N 2.83Å; A9-W11 VanDerWaalsContact O-N 3.08Å; W11-F13 WeakPolarHBondContact O-CD2 3.47Å; W11-F33 HydrophobicContact CB-CD2 4.27Å; W11-F33 HydrophobicContact CB-CE2 3.59Å; W11-F33 HydrophobicContact CB-CZ 4.32Å; W11-F33 HydrophobicContact CG-CE2 4.24Å; W11-L34 CarbonylContact O-C 3.54Å; W11-L34 WeakPolarHBondContact O-CA 3.43Å; W11-I35 HydrophobicContact CD2-CD1 4.46Å; W11-I35 HydrophobicContact CE3-CB 3.84Å; W11-I35 HydrophobicContact CE3-CD1 3.64Å; W11-I35 HydrophobicContact CE3-CG1 3.91Å; W11-I35 HydrophobicContact CZ3-CB 4.15Å; W11-I35 HydrophobicContact CZ3-CD1 3.8Å; W11-I35 HydrophobicContact CZ3-CG1 4.37Å; W11-I35 HydrophobicContact CZ3-CG2 4.48Å; W11-I35 PolarHBondContact O-N 2.73Å; W11-L88 HydrophobicContact CH2-CB 3.56Å; W11-L88 HydrophobicContact CH2-CD1 4.31Å; W11-L88 HydrophobicContact CZ2-CB 4.42Å; W11-L88 HydrophobicContact CZ3-CB 4.01Å; W11-L88 HydrophobicContact CZ3-CD1 4.09Å; W11-D89 HydrophobicContact CZ2-CB 4.49Å; W11-D89 WeakPolarHBondContact CZ2-OD1 3.35Å; W11-V92 HydrophobicContact CD2-CG2 3.85Å; W11-V92 HydrophobicContact CE3-CG2 4.25Å; W11-V92 HydrophobicContact CG-CG1 4.21Å; W11-V92 HydrophobicContact CG-CG2 4.13Å; W11-V92 HydrophobicContact CZ2-CG2 4.36Å; W11-P107 HydrophobicContact CB-CB 3.98Å
12	Y	95.5	Very high	81	Confident	16 Å²	16	53.7 Å²	53.7	6%	0.063	29%	0.291	C	S	.	.	B	Isolated β-bridge	trans	-94.1	127.7	-175.8	-178.8	-120.8	0	0	0	111.9	L5 A9 G14 I35 D37 Y44 K110 R139	L5-Y12 HydrophobicContact CD1-CD1 4.13Å; L5-Y12 HydrophobicContact CD1-CD2 3.99Å; L5-Y12 HydrophobicContact CD1-CE1 3.73Å; L5-Y12 HydrophobicContact CD1-CE2 3.59Å; L5-Y12 HydrophobicContact CD1-CG 4.24Å; L5-Y12 VanDerWaalsContact CD1-CZ 3.43Å; A9-Y12 PolarHBondContact O-N 3.16Å; Y12-G14 VanDerWaalsContact CZ-CA 3.5Å; Y12-I35 CarbonylContact C-O 3.57Å; Y12-I35 WeakPolarHBondContact CA-O 3.24Å; Y12-I35 HydrophobicContact CD2-CG2 4.49Å; Y12-D37 VanDerWaalsContact CE2-OD1 3.25Å; Y12-D37 WeakPolarHBondContact CE2-OD1 3.25Å; Y12-D37 PolarHBondContact OH-OD1 3.29Å; Y12-Y44 HydrophobicContact CE2-CD1 4.06Å; Y12-Y44 AromaticContact CE2-CE1 3.87Å; Y12-Y44 HydrophobicContact CE2-CE1 3.87Å; Y12-K110 PolarHBondContact O-NZ 3.41Å; Y12-R139 HydrophobicContact CD1-CB 4.46Å; Y12-R139 HydrophobicContact CE1-CB 4.5Å
13	F	95.5	Very high	83.4	Confident	2 Å²	2	54.4 Å²	54.4	1%	0.009	28%	0.279	C	S	.	.			trans	-115.9	-2.3	-175.2	-79	-114.9	0	0	0	113.6	W11 I16 I24 L34 I35 A108 K110 F137 Q140	W11-F13 WeakPolarHBondContact O-CD2 3.47Å; F13-I16 HydrophobicContact CB-CD1 3.6Å; F13-I16 HydrophobicContact CB-CG1 3.88Å; F13-I16 HydrophobicContact CB-CG2 4.33Å; F13-I16 HydrophobicContact CD1-CD1 4.1Å; F13-I16 HydrophobicContact CG-CD1 4.13Å; F13-I16 WeakPolarHBondContact O-CG2 3.28Å; F13-I24 HydrophobicContact CD1-CD1 3.89Å; F13-I24 HydrophobicContact CE1-CD1 3.88Å; F13-I24 HydrophobicContact CE1-CG2 4.33Å; F13-L34 HydrophobicContact CD2-CB 3.62Å; F13-L34 HydrophobicContact CD2-CD2 4.47Å; F13-L34 HydrophobicContact CD2-CG 4.48Å; F13-L34 HydrophobicContact CE2-CB 3.72Å; F13-L34 HydrophobicContact CG-CB 4.33Å; F13-L34 HydrophobicContact CG-CD2 4.5Å; F13-L34 HydrophobicContact CZ-CB 4.49Å; F13-I35 PolarHBondContact N-O 3.4Å; F13-A108 HydrophobicContact CE2-CB 4.11Å; F13-A108 HydrophobicContact CZ-CB 3.82Å; F13-K110 HydrophobicContact CE1-CD 4.05Å; F13-K110 HydrophobicContact CE2-CD 4.15Å; F13-K110 HydrophobicContact CZ-CD 3.72Å; F13-F137 HydrophobicContact CB-CE1 4.32Å; F13-F137 HydrophobicContact CD1-CD1 4.19Å; F13-F137 AromaticContact CD1-CE1 3.45Å; F13-F137 HydrophobicContact CD1-CE1 3.45Å; F13-F137 VanDerWaalsContact CD1-CE1 3.45Å; F13-F137 HydrophobicContact CD1-CZ 4.2Å; F13-F137 HydrophobicContact CE1-CD1 4.29Å; F13-F137 AromaticContact CE1-CE1 3.99Å; F13-F137 HydrophobicContact CE1-CE1 3.99Å; F13-F137 HydrophobicContact CG-CE1 4.08Å; F13-Q140 PolarHBondContact O-N 2.85Å
14	G	94.4	Very high	85.3	Confident	1 Å²	1	53.1 Å²	53.1	1%	0.01	27%	0.27	C	S	.	.	B	Isolated β-bridge	trans	72.5	-146.3	-179.8	0	0	0	0	0	113.6	Y12 I16 R36 D37 Q140	Y12-G14 VanDerWaalsContact CZ-CA 3.5Å; G14-I16 PolarHBondContact O-N 2.88Å; G14-R36 CarbonylContact O-C 3.55Å; G14-R36 VanDerWaalsContact O-CA 3.32Å; G14-R36 WeakPolarHBondContact O-CA 3.49Å; G14-R36 VanDerWaalsContact O-CB 3.32Å; G14-R36 WeakPolarHBondContact O-CB 3.49Å; G14-D37 PolarHBondContact O-N 2.77Å; G14-Q140 CarbonylContact C-O 3.53Å; G14-Q140 WeakPolarHBondContact CA-O 3.48Å
15	E	94.1	Very high	87.3	Confident	70 Å²	70	44.4 Å²	44.4	33%	0.327	23%	0.229	S	C	.	.	S	Bend	trans	-78.8	30.2	-173.2	-59.6	179.5	-174.8	0	0	114	D37 Q140 R142	E15-D37 HydrophobicContact CG-CB 4.2Å; E15-Q140 PolarHBondContact N-O 3.06Å; E15-R142 WeakPolarHBondContact OE2-CG 3.32Å; E15-R142 PolarHBondContact OE2-N 2.83Å
16	I	93.7	Very high	88.5	Confident	1 Å²	1	48.1 Å²	48.1	1%	0.005	25%	0.248	C	C	.	.			trans	-63.6	148.5	176.3	60.8	161.5	0	0	0	111.4	F13 G14 K20 A21 I24 L34 R36 F137 Q140	F13-I16 HydrophobicContact CB-CD1 3.6Å; F13-I16 HydrophobicContact CB-CG1 3.88Å; F13-I16 HydrophobicContact CB-CG2 4.33Å; F13-I16 HydrophobicContact CD1-CD1 4.1Å; F13-I16 HydrophobicContact CG-CD1 4.13Å; F13-I16 WeakPolarHBondContact O-CG2 3.28Å; G14-I16 PolarHBondContact O-N 2.88Å; I16-K20 HydrophobicContact CB-CB 4.42Å; I16-K20 HydrophobicContact CB-CG 4.45Å; I16-A21 HydrophobicContact CD1-CB 3.95Å; I16-I24 HydrophobicContact CD1-CD1 4.04Å; I16-L34 HydrophobicContact CD1-CD1 4.02Å; I16-L34 HydrophobicContact CD1-CD2 4.39Å; I16-R36 HydrophobicContact CD1-CB 4.28Å; I16-R36 HydrophobicContact CG1-CB 3.64Å; I16-R36 HydrophobicContact CG1-CG 4.44Å; I16-R36 WeakPolarHBondContact O-CD 3.21Å; I16-R36 PolarHBondContact O-NH1 2.72Å; I16-F137 HydrophobicContact CG2-CZ 3.97Å; I16-Q140 HydrophobicContact CG2-CB 3.82Å
17	S	92.6	Very high	89.4	Confident	53 Å²	53	51.3 Å²	51.3	37%	0.371	26%	0.262	S	S	.	.			trans	-68.9	162.7	177.9	72.8	0	0	0	0	112.2	E19 K20 A21	S17-E19 PolarHBondContact O-N 2.98Å; S17-K20 PolarHBondContact O-N 3.38Å; S17-K20 WeakPolarHBondContact OG-CB 3.5Å; S17-K20 PolarHBondContact OG-N 2.88Å; S17-A21 PolarHBondContact O-N 2.83Å
18	R	91.1	Very high	90.5	Very high	130 Å²	130	49.6 Å²	49.6	49%	0.491	25%	0.249	S	C	.	.	H	α-helix	trans	-60.6	-40	174.1	177.7	-177	62.7	-176.4	-2.3	110.8	A21 N22	R18-A21 PolarHBondContact O-N 2.72Å; R18-N22 PolarHBondContact O-N 3.31Å; R18-N22 PolarHBondContact O-ND2 3.36Å; R18-N22 PolarHBondContact O-OD1 3.49Å
19	E	91.2	Very high	91	Very high	87 Å²	87	49.3 Å²	49.3	41%	0.407	25%	0.251	S	S	.	.	H	α-helix	trans	-66.2	-45.7	-179.5	-64.9	63.2	-136.8	0	0	109.3	S17 A21 N22 E23	S17-E19 PolarHBondContact O-N 2.98Å; E19-A21 VanDerWaalsContact C-N 3.33Å; E19-A21 PolarHBondContact O-N 3.47Å; E19-N22 WeakPolarHBondContact O-CA 3.38Å; E19-N22 WeakPolarHBondContact O-CB 3.37Å; E19-N22 PolarHBondContact O-N 3.29Å; E19-E23 PolarHBondContact O-N 3.14Å
20	K	90.7	Very high	90.9	Very high	55 Å²	55	51.8 Å²	51.8	24%	0.239	27%	0.266	C	S	.	.	H	α-helix	trans	-62.7	-39.9	177	-169.2	57.5	175.8	179.6	0	112.7	I16 S17 N22 E23 I24	I16-K20 HydrophobicContact CB-CB 4.42Å; I16-K20 HydrophobicContact CB-CG 4.45Å; S17-K20 PolarHBondContact O-N 3.38Å; S17-K20 WeakPolarHBondContact OG-CB 3.5Å; S17-K20 PolarHBondContact OG-N 2.88Å; K20-N22 PolarHBondContact O-N 3.14Å; K20-E23 WeakPolarHBondContact CD-OE2 3.34Å; K20-E23 IonicContact NZ-OE2 2.72Å; K20-E23 PolarHBondContact NZ-OE2 2.79Å; K20-E23 PolarHBondContact O-N 2.81Å; K20-I24 HydrophobicContact CG-CD1 4.15Å; K20-I24 WeakPolarHBondContact O-CD1 3.39Å; K20-I24 VanDerWaalsContact O-CG1 3.29Å; K20-I24 WeakPolarHBondContact O-CG1 3.43Å; K20-I24 PolarHBondContact O-N 2.8Å
21	A	92.7	Very high	90.6	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-60.9	-34.5	173.8	0	0	0	0	0	112.5	I16 S17 R18 E19 L25 L34	I16-A21 HydrophobicContact CD1-CB 3.95Å; S17-A21 PolarHBondContact O-N 2.83Å; R18-A21 PolarHBondContact O-N 2.72Å; E19-A21 VanDerWaalsContact C-N 3.33Å; E19-A21 PolarHBondContact O-N 3.47Å; A21-L25 WeakPolarHBondContact O-CB 3.36Å; A21-L25 WeakPolarHBondContact O-CG 3.4Å; A21-L25 PolarHBondContact O-N 3.44Å; A21-L34 HydrophobicContact CB-CD1 4.02Å; A21-L34 HydrophobicContact CB-CD2 4.38Å
22	N	91.5	Very high	90.6	Very high	44 Å²	44	47.6 Å²	47.6	24%	0.235	24%	0.241	C	C	.	.	H	α-helix	trans	-71.5	-45	176.1	-59.9	-21.5	0	0	0	111.7	R18 E19 K20 I24 L25 I26 R66	R18-N22 PolarHBondContact O-N 3.31Å; R18-N22 PolarHBondContact O-ND2 3.36Å; R18-N22 PolarHBondContact O-OD1 3.49Å; E19-N22 WeakPolarHBondContact O-CA 3.38Å; E19-N22 WeakPolarHBondContact O-CB 3.37Å; E19-N22 PolarHBondContact O-N 3.29Å; K20-N22 PolarHBondContact O-N 3.14Å; N22-I24 PolarHBondContact O-N 3.34Å; N22-L25 PolarHBondContact O-N 2.98Å; N22-L25 VanDerWaalsContact O-N 3.14Å; N22-I26 WeakPolarHBondContact O-CB 3.3Å; N22-I26 PolarHBondContact O-N 3.04Å; N22-R66 PolarHBondContact ND2-NH2 3.16Å; N22-R66 PolarHBondContact OD1-NE 3.02Å; N22-R66 PolarHBondContact OD1-NH2 2.97Å
23	E	89.1	Confident	90.5	Very high	109 Å²	109	47 Å²	47	51%	0.509	24%	0.239	S	C	.	.	H	α-helix	trans	-55.6	-41.2	174.6	-69.6	171.3	-162.5	0	0	111.5	E19 K20 I26	E19-E23 PolarHBondContact O-N 3.14Å; K20-E23 WeakPolarHBondContact CD-OE2 3.34Å; K20-E23 IonicContact NZ-OE2 2.72Å; K20-E23 PolarHBondContact NZ-OE2 2.79Å; K20-E23 PolarHBondContact O-N 2.81Å; E23-I26 WeakPolarHBondContact O-CG2 3.31Å
24	I	91	Very high	90.5	Very high	33 Å²	33	46.9 Å²	46.9	17%	0.169	24%	0.238	C	C	.	.	H	α-helix	trans	-67	-40.4	178.4	-68.4	162.8	0	0	0	111.1	F13 I16 K20 N22 Q28 L34 A108	F13-I24 HydrophobicContact CD1-CD1 3.89Å; F13-I24 HydrophobicContact CE1-CD1 3.88Å; F13-I24 HydrophobicContact CE1-CG2 4.33Å; I16-I24 HydrophobicContact CD1-CD1 4.04Å; K20-I24 HydrophobicContact CG-CD1 4.15Å; K20-I24 WeakPolarHBondContact O-CD1 3.39Å; K20-I24 VanDerWaalsContact O-CG1 3.29Å; K20-I24 WeakPolarHBondContact O-CG1 3.43Å; K20-I24 PolarHBondContact O-N 2.8Å; N22-I24 PolarHBondContact O-N 3.34Å; I24-Q28 WeakPolarHBondContact O-CG 3.49Å; I24-L34 HydrophobicContact CB-CD2 4.2Å; I24-L34 HydrophobicContact CD1-CD2 4.43Å; I24-L34 HydrophobicContact CG2-CD2 3.88Å; I24-A108 HydrophobicContact CG2-CB 3.82Å
25	L	90.7	Very high	90.6	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-86	-19.7	-173.3	-70.9	173.9	0	0	0	113.8	A21 N22 D27 Q28 T32 L34 A47 K49 V64 A108	A21-L25 WeakPolarHBondContact O-CB 3.36Å; A21-L25 WeakPolarHBondContact O-CG 3.4Å; A21-L25 PolarHBondContact O-N 3.44Å; N22-L25 PolarHBondContact O-N 2.98Å; N22-L25 VanDerWaalsContact O-N 3.14Å; L25-D27 VanDerWaalsContact C-N 3.3Å; L25-D27 PolarHBondContact O-N 3.25Å; L25-Q28 PolarHBondContact O-N 2.83Å; L25-T32 HydrophobicContact CD2-CG2 3.92Å; L25-T32 WeakPolarHBondContact CD2-O 3.23Å; L25-L34 HydrophobicContact CD1-CD2 4.24Å; L25-L34 HydrophobicContact CD1-CG 4.26Å; L25-L34 HydrophobicContact CD2-CD2 4.27Å; L25-L34 HydrophobicContact CG-CD2 3.99Å; L25-L34 HydrophobicContact CG-CG 4.46Å; L25-A47 HydrophobicContact CD1-CB 3.73Å; L25-K49 WeakPolarHBondContact O-CD 3.46Å; L25-V64 HydrophobicContact CB-CG2 3.79Å; L25-V64 HydrophobicContact CD1-CG1 3.59Å; L25-V64 HydrophobicContact CD1-CG2 4.11Å; L25-A108 HydrophobicContact CD2-CB 4.12Å
26	I	84.7	Confident	90.6	Very high	96 Å²	96	44 Å²	44	49%	0.492	22%	0.224	S	C	.	.	H	α-helix	trans	-60.3	-39.4	-173.4	-162.7	169.7	0	0	0	112.2	N22 E23 K49	N22-I26 WeakPolarHBondContact O-CB 3.3Å; N22-I26 PolarHBondContact O-N 3.04Å; E23-I26 WeakPolarHBondContact O-CG2 3.31Å; I26-K49 PolarHBondContact O-NZ 3.06Å
27	D	81.1	Confident	90.6	Very high	141 Å²	141	45.8 Å²	45.8	75%	0.754	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.8	9.4	-177.2	-63.4	-35	0	0	0	113.6	L25	L25-D27 VanDerWaalsContact C-N 3.3Å; L25-D27 PolarHBondContact O-N 3.25Å
28	Q	86.1	Confident	90.6	Very high	30 Å²	30	44.1 Å²	44.1	14%	0.14	22%	0.222	C	C	.	.	S	Bend	trans	-94.5	159.5	-179.2	-64.8	-69.2	-39.4	0	0	112	I24 L25 T32 K49	I24-Q28 WeakPolarHBondContact O-CG 3.49Å; L25-Q28 PolarHBondContact O-N 2.83Å; Q28-T32 HydrophobicContact CB-CG2 3.74Å; Q28-T32 HydrophobicContact CG-CG2 4.05Å; Q28-K49 WeakPolarHBondContact O-CD 3.33Å; Q28-K49 VanDerWaalsContact O-CE 3.3Å; Q28-K49 WeakPolarHBondContact O-CE 3.4Å; Q28-K49 PolarHBondContact O-NZ 3.44Å
29	P	87.4	Confident	90.3	Very high	73 Å²	73	42.8 Å²	42.8	47%	0.474	23%	0.228	S	C	.	.	P	Polyproline II helix	trans	-61.4	152.9	172.9	-25.3	35.5	0	0	0	112.9	G31 T32	P29-G31 PolarHBondContact O-N 2.77Å; P29-T32 WeakPolarHBondContact O-CB 3.36Å; P29-T32 PolarHBondContact O-N 2.79Å; P29-T32 VanDerWaalsContact O-N 3.08Å; P29-T32 PolarHBondContact O-OG1 3.2Å
30	V	87.7	Confident	90	Very high	57 Å²	57	44.3 Å²	44.3	35%	0.345	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	136.8	174.7	-174.9	0	0	0	0	110.5	T32 V51 R105	V30-T32 VanDerWaalsContact C-N 3.32Å; V30-V51 HydrophobicContact CB-CG2 4.42Å; V30-V51 HydrophobicContact CG1-CB 4.3Å; V30-V51 HydrophobicContact CG1-CG2 4.21Å; V30-V51 HydrophobicContact CG2-CB 4.16Å; V30-V51 HydrophobicContact CG2-CG2 3.33Å; V30-R105 WeakPolarHBondContact O-CD 3.31Å
31	G	88.5	Confident	89.7	Confident	2 Å²	2	48.1 Å²	48.1	2%	0.021	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.5	-1.6	-174.4	0	0	0	0	0	114	P29 K49 R103 R105	P29-G31 PolarHBondContact O-N 2.77Å; G31-K49 PolarHBondContact N-O 2.96Å; G31-R103 WeakPolarHBondContact CA-O 3.44Å; G31-R105 PolarHBondContact O-N 2.86Å
32	T	93.1	Very high	89.3	Confident	0 Å²	0	53 Å²	53	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	134.1	169.4	-55.2	0	0	0	0	109.8	L25 Q28 P29 V30 I48 K49 Q106 A108	L25-T32 HydrophobicContact CD2-CG2 3.92Å; L25-T32 WeakPolarHBondContact CD2-O 3.23Å; Q28-T32 HydrophobicContact CB-CG2 3.74Å; Q28-T32 HydrophobicContact CG-CG2 4.05Å; P29-T32 WeakPolarHBondContact O-CB 3.36Å; P29-T32 PolarHBondContact O-N 2.79Å; P29-T32 VanDerWaalsContact O-N 3.08Å; P29-T32 PolarHBondContact O-OG1 3.2Å; V30-T32 VanDerWaalsContact C-N 3.32Å; T32-I48 WeakPolarHBondContact O-CA 3.42Å; T32-K49 PolarHBondContact O-N 3Å; T32-Q106 CarbonylContact C-O 3.42Å; T32-Q106 VanDerWaalsContact CA-O 3.29Å; T32-Q106 WeakPolarHBondContact CA-O 3.5Å; T32-Q106 HydrophobicContact CG2-CG 4.27Å; T32-Q106 PolarHBondContact OG1-NE2 2.94Å; T32-A108 VanDerWaalsContact CG2-CA 3.43Å; T32-A108 HydrophobicContact CG2-CB 3.86Å
33	F	94.4	Very high	89.3	Confident	3 Å²	3	51.8 Å²	51.8	1%	0.013	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	159.4	-175.7	70.3	-86.5	0	0	0	113	W11 L46 A47 I48 V92 M104 Q106 P107 A108	W11-F33 HydrophobicContact CB-CD2 4.27Å; W11-F33 HydrophobicContact CB-CE2 3.59Å; W11-F33 HydrophobicContact CB-CZ 4.32Å; W11-F33 HydrophobicContact CG-CE2 4.24Å; F33-L46 HydrophobicContact CB-CD1 3.97Å; F33-L46 HydrophobicContact CD2-CD1 3.87Å; F33-L46 HydrophobicContact CG-CD1 4.28Å; F33-A47 CarbonylContact C-O 3.6Å; F33-A47 WeakPolarHBondContact CA-O 3.48Å; F33-A47 WeakPolarHBondContact CB-O 3.39Å; F33-I48 HydrophobicContact CB-CB 4.05Å; F33-I48 HydrophobicContact CB-CG1 4.02Å; F33-V92 HydrophobicContact CE2-CG1 3.81Å; F33-V92 HydrophobicContact CE2-CG2 4.19Å; F33-V92 HydrophobicContact CZ-CG1 3.67Å; F33-M104 HydrophobicContact CB-CG 4.12Å; F33-M104 HydrophobicContact CB-SD 4.07Å; F33-M104 HydrophobicContact CD1-CB 3.61Å; F33-M104 HydrophobicContact CD1-CG 3.75Å; F33-M104 HydrophobicContact CD1-SD 3.89Å; F33-M104 HydrophobicContact CD2-CG 4.39Å; F33-M104 HydrophobicContact CD2-SD 3.48Å; F33-M104 WeakPolarHBondContact CD2-SD 3.31Å; F33-M104 HydrophobicContact CE1-CB 3.78Å; F33-M104 HydrophobicContact CE1-CG 4.27Å; F33-M104 HydrophobicContact CE1-SD 4.19Å; F33-M104 HydrophobicContact CE2-SD 3.81Å; F33-M104 HydrophobicContact CG-CB 4.22Å; F33-M104 HydrophobicContact CG-CG 3.83Å; F33-M104 HydrophobicContact CG-SD 3.53Å; F33-M104 VanDerWaalsContact CG-SD 3.53Å; F33-M104 HydrophobicContact CZ-CB 4.5Å; F33-M104 HydrophobicContact CZ-SD 4.16Å; F33-Q106 WeakPolarHBondContact CD1-O 3.39Å; F33-Q106 WeakPolarHBondContact CE1-O 3.48Å; F33-Q106 PolarHBondContact N-O 2.82Å; F33-P107 CarbonylContact O-C 3.58Å; F33-P107 WeakPolarHBondContact O-CA 3.48Å; F33-A108 PolarHBondContact O-N 2.85Å
34	L	95.6	Very high	89.5	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	157	169	63.3	83.6	0	0	0	110	W11 F13 I16 A21 I24 L25 R36 A47 A108	W11-L34 CarbonylContact O-C 3.54Å; W11-L34 WeakPolarHBondContact O-CA 3.43Å; F13-L34 HydrophobicContact CD2-CB 3.62Å; F13-L34 HydrophobicContact CD2-CD2 4.47Å; F13-L34 HydrophobicContact CD2-CG 4.48Å; F13-L34 HydrophobicContact CE2-CB 3.72Å; F13-L34 HydrophobicContact CG-CB 4.33Å; F13-L34 HydrophobicContact CG-CD2 4.5Å; F13-L34 HydrophobicContact CZ-CB 4.49Å; I16-L34 HydrophobicContact CD1-CD1 4.02Å; I16-L34 HydrophobicContact CD1-CD2 4.39Å; A21-L34 HydrophobicContact CB-CD1 4.02Å; A21-L34 HydrophobicContact CB-CD2 4.38Å; I24-L34 HydrophobicContact CB-CD2 4.2Å; I24-L34 HydrophobicContact CD1-CD2 4.43Å; I24-L34 HydrophobicContact CG2-CD2 3.88Å; L25-L34 HydrophobicContact CD1-CD2 4.24Å; L25-L34 HydrophobicContact CD1-CG 4.26Å; L25-L34 HydrophobicContact CD2-CD2 4.27Å; L25-L34 HydrophobicContact CG-CD2 3.99Å; L25-L34 HydrophobicContact CG-CG 4.46Å; L34-R36 HydrophobicContact CD1-CB 4.3Å; L34-R36 HydrophobicContact CD1-CG 4.47Å; L34-A47 HydrophobicContact CD1-CB 4.01Å; L34-A47 HydrophobicContact CG-CB 4.25Å; L34-A47 PolarHBondContact N-O 3.16Å; L34-A47 PolarHBondContact O-N 3.43Å; L34-A108 HydrophobicContact CB-CB 4.08Å; L34-A108 HydrophobicContact CD2-CB 4.08Å
35	I	95.6	Very high	89.7	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	131.4	172.4	-58	-174.9	0	0	0	108.4	W11 Y12 F13 Y44 V45 L46 L69 L88 V92	W11-I35 HydrophobicContact CD2-CD1 4.46Å; W11-I35 HydrophobicContact CE3-CB 3.84Å; W11-I35 HydrophobicContact CE3-CD1 3.64Å; W11-I35 HydrophobicContact CE3-CG1 3.91Å; W11-I35 HydrophobicContact CZ3-CB 4.15Å; W11-I35 HydrophobicContact CZ3-CD1 3.8Å; W11-I35 HydrophobicContact CZ3-CG1 4.37Å; W11-I35 HydrophobicContact CZ3-CG2 4.48Å; W11-I35 PolarHBondContact O-N 2.73Å; Y12-I35 CarbonylContact C-O 3.57Å; Y12-I35 WeakPolarHBondContact CA-O 3.24Å; Y12-I35 HydrophobicContact CD2-CG2 4.49Å; F13-I35 PolarHBondContact N-O 3.4Å; I35-Y44 HydrophobicContact CG2-CD1 4.34Å; I35-Y44 HydrophobicContact CG2-CG 4.27Å; I35-V45 WeakPolarHBondContact CA-O 3.32Å; I35-L46 HydrophobicContact CG1-CB 4.46Å; I35-L46 HydrophobicContact CG1-CD1 3.93Å; I35-L69 HydrophobicContact CD1-CD1 4Å; I35-L69 HydrophobicContact CG2-CD1 4.34Å; I35-L88 HydrophobicContact CG2-CD1 4.17Å; I35-V92 HydrophobicContact CD1-CG2 3.7Å
36	R	94.9	Very high	89.8	Confident	10 Å²	10	47.4 Å²	47.4	4%	0.038	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	166.7	176.2	66.3	176.7	-170.8	85.9	1	110.5	G14 I16 L34 Y44 V45	G14-R36 CarbonylContact O-C 3.55Å; G14-R36 VanDerWaalsContact O-CA 3.32Å; G14-R36 WeakPolarHBondContact O-CA 3.49Å; G14-R36 VanDerWaalsContact O-CB 3.32Å; G14-R36 WeakPolarHBondContact O-CB 3.49Å; I16-R36 HydrophobicContact CD1-CB 4.28Å; I16-R36 HydrophobicContact CG1-CB 3.64Å; I16-R36 HydrophobicContact CG1-CG 4.44Å; I16-R36 WeakPolarHBondContact O-CD 3.21Å; I16-R36 PolarHBondContact O-NH1 2.72Å; L34-R36 HydrophobicContact CD1-CB 4.3Å; L34-R36 HydrophobicContact CD1-CG 4.47Å; R36-Y44 CarbonylContact O-C 3.52Å; R36-Y44 WeakPolarHBondContact O-CA 3.23Å; R36-V45 HydrophobicContact CG-CB 4.09Å; R36-V45 PolarHBondContact N-O 2.65Å; R36-V45 PolarHBondContact O-N 2.74Å
37	D	94	Very high	90.3	Very high	38 Å²	38	42.9 Å²	42.9	20%	0.203	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	141.5	173.3	-69.4	18	0	0	0	110	Y12 G14 E15 Y44	Y12-D37 VanDerWaalsContact CE2-OD1 3.25Å; Y12-D37 WeakPolarHBondContact CE2-OD1 3.25Å; Y12-D37 PolarHBondContact OH-OD1 3.29Å; G14-D37 PolarHBondContact O-N 2.77Å; E15-D37 HydrophobicContact CG-CB 4.2Å; D37-Y44 WeakPolarHBondContact OD1-CD1 3.16Å; D37-Y44 VanDerWaalsContact OD1-CE1 3.29Å; D37-Y44 WeakPolarHBondContact OD1-CE1 3.32Å
38	S	92	Very high	90.8	Very high	18 Å²	18	36.3 Å²	36.3	13%	0.126	21%	0.212	C	C	.	.			trans	-78.2	126.6	176.7	169.6	0	0	0	0	110.1	K41 G43	S38-K41 WeakPolarHBondContact CB-O 3.46Å; S38-K41 PolarHBondContact OG-N 2.87Å; S38-K41 VanDerWaalsContact OG-N 3.17Å; S38-K41 PolarHBondContact OG-O 2.92Å; S38-G43 VanDerWaalsContact CB-O 3.3Å; S38-G43 WeakPolarHBondContact CB-O 3.41Å; S38-G43 PolarHBondContact N-O 2.8Å
39	T	85.4	Confident	91	Very high	103 Å²	103	35.7 Å²	35.7	63%	0.632	21%	0.209	S	C	*	.	S	Bend	trans	-86.8	-9	178.1	52.2	0	0	0	0	113.3
40	T	84.3	Confident	90.7	Very high	119 Å²	119	34.9 Å²	34.9	73%	0.73	20%	0.197	S	C	*	.	S	Bend	trans	-113.8	-25.9	-173.3	55.6	0	0	0	0	114
41	K	84.5	Confident	90.1	Very high	135 Å²	135	33 Å²	33	59%	0.587	19%	0.185	S	C	*	.	S	Bend	trans	-145.8	153.5	-178	-68.8	-174.5	178.3	-178.2	0	109.5	S38 G43 L68	S38-K41 WeakPolarHBondContact CB-O 3.46Å; S38-K41 PolarHBondContact OG-N 2.87Å; S38-K41 VanDerWaalsContact OG-N 3.17Å; S38-K41 PolarHBondContact OG-O 2.92Å; K41-G43 PolarHBondContact O-N 2.87Å; K41-L68 HydrophobicContact CB-CD1 4.39Å; K41-L68 HydrophobicContact CB-CD2 4.33Å; K41-L68 HydrophobicContact CD-CD2 3.61Å; K41-L68 HydrophobicContact CG-CD2 4.5Å
42	S	84.5	Confident	88.9	Confident	101 Å²	101	36.5 Å²	36.5	71%	0.706	20%	0.199	S	C	*	.	S	Bend	trans	-59.2	123.9	171.8	58.2	0	0	0	0	111.1
43	G	90.4	Very high	87.3	Confident	20 Å²	20	45 Å²	45	21%	0.206	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	135.4	-154	179.6	0	0	0	0	0	111.9	S38 K41 L69	S38-G43 VanDerWaalsContact CB-O 3.3Å; S38-G43 WeakPolarHBondContact CB-O 3.41Å; S38-G43 PolarHBondContact N-O 2.8Å; K41-G43 PolarHBondContact O-N 2.87Å; G43-L69 WeakPolarHBondContact CA-O 3.5Å
44	Y	94.1	Very high	85.4	Confident	39 Å²	39	51.7 Å²	51.7	15%	0.153	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	163.7	-174.8	-57.9	-82.7	0	0	0	111.1	L5 Y12 I35 R36 D37 L69 F78 L88	L5-Y44 HydrophobicContact CD1-CE1 3.63Å; L5-Y44 VanDerWaalsContact CD1-OH 3.27Å; L5-Y44 WeakPolarHBondContact CD1-OH 2.82Å; Y12-Y44 HydrophobicContact CE2-CD1 4.06Å; Y12-Y44 AromaticContact CE2-CE1 3.87Å; Y12-Y44 HydrophobicContact CE2-CE1 3.87Å; I35-Y44 HydrophobicContact CG2-CD1 4.34Å; I35-Y44 HydrophobicContact CG2-CG 4.27Å; R36-Y44 CarbonylContact O-C 3.52Å; R36-Y44 WeakPolarHBondContact O-CA 3.23Å; D37-Y44 WeakPolarHBondContact OD1-CD1 3.16Å; D37-Y44 VanDerWaalsContact OD1-CE1 3.29Å; D37-Y44 WeakPolarHBondContact OD1-CE1 3.32Å; Y44-L69 PolarHBondContact N-O 2.92Å; Y44-L69 PolarHBondContact O-N 3.28Å; Y44-F78 HydrophobicContact CD2-CD1 4.37Å; Y44-F78 AromaticContact CD2-CE1 3.84Å; Y44-F78 HydrophobicContact CD2-CE1 3.84Å; Y44-F78 HydrophobicContact CE2-CD1 4.5Å; Y44-F78 AromaticContact CE2-CE1 3.56Å; Y44-F78 HydrophobicContact CE2-CE1 3.56Å; Y44-F78 AromaticContact CE2-CZ 3.97Å; Y44-F78 HydrophobicContact CE2-CZ 3.97Å; Y44-L88 HydrophobicContact CD1-CD1 4.24Å; Y44-L88 HydrophobicContact CD2-CD1 3.57Å; Y44-L88 HydrophobicContact CD2-CD2 4.3Å; Y44-L88 HydrophobicContact CD2-CG 4.34Å; Y44-L88 HydrophobicContact CE1-CD1 4.47Å; Y44-L88 HydrophobicContact CE2-CD1 3.82Å; Y44-L88 HydrophobicContact CG-CD1 3.79Å
45	V	94.6	Very high	83.1	Confident	11 Å²	11	58.5 Å²	58.5	7%	0.067	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	120.3	173.6	178.4	0	0	0	0	108.7	I35 R36 R66 Y67 L68	I35-V45 WeakPolarHBondContact CA-O 3.32Å; R36-V45 HydrophobicContact CG-CB 4.09Å; R36-V45 PolarHBondContact N-O 2.65Å; R36-V45 PolarHBondContact O-N 2.74Å; V45-R66 HydrophobicContact CG1-CB 3.92Å; V45-R66 HydrophobicContact CG1-CG 4.37Å; V45-Y67 CarbonylContact C-O 3.5Å; V45-Y67 WeakPolarHBondContact CA-O 3.41Å; V45-L68 HydrophobicContact CG2-CD1 4.23Å
46	L	94.1	Very high	81	Confident	0 Å²	0	66.4 Å²	66.4	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	113.1	166.3	170.1	63.3	0	0	0	108.7	F33 I35 R66 Y67 L69 F80 M104	F33-L46 HydrophobicContact CB-CD1 3.97Å; F33-L46 HydrophobicContact CD2-CD1 3.87Å; F33-L46 HydrophobicContact CG-CD1 4.28Å; I35-L46 HydrophobicContact CG1-CB 4.46Å; I35-L46 HydrophobicContact CG1-CD1 3.93Å; L46-R66 CarbonylContact O-C 3.58Å; L46-R66 WeakPolarHBondContact O-CA 3.39Å; L46-Y67 HydrophobicContact CD2-CD2 4.36Å; L46-Y67 HydrophobicContact CG-CD2 4.48Å; L46-Y67 PolarHBondContact N-O 3.01Å; L46-Y67 PolarHBondContact O-N 3.4Å; L46-L69 HydrophobicContact CB-CD1 4.13Å; L46-L69 HydrophobicContact CB-CD2 4.27Å; L46-L69 HydrophobicContact CB-CG 4.25Å; L46-F80 HydrophobicContact CD2-CZ 4.45Å; L46-M104 HydrophobicContact CD1-SD 3.49Å; L46-M104 WeakPolarHBondContact CD1-SD 3.37Å; L46-M104 HydrophobicContact CD2-CE 4.21Å; L46-M104 HydrophobicContact CD2-SD 3.69Å; L46-M104 HydrophobicContact CG-SD 4.21Å
47	A	94.1	Very high	79	Confident	0 Å²	0	71.5 Å²	71.5	0%	0	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	132	172.1	0	0	0	0	0	109.4	L25 F33 L34 V64 K65 R66	L25-A47 HydrophobicContact CD1-CB 3.73Å; F33-A47 CarbonylContact C-O 3.6Å; F33-A47 WeakPolarHBondContact CA-O 3.48Å; F33-A47 WeakPolarHBondContact CB-O 3.39Å; L34-A47 HydrophobicContact CD1-CB 4.01Å; L34-A47 HydrophobicContact CG-CB 4.25Å; L34-A47 PolarHBondContact N-O 3.16Å; L34-A47 PolarHBondContact O-N 3.43Å; A47-V64 HydrophobicContact CB-CG1 3.95Å; A47-K65 CarbonylContact C-O 3.45Å; A47-K65 WeakPolarHBondContact CA-O 3.49Å; A47-R66 HydrophobicContact CB-CG 4.4Å
48	I	92	Very high	76.7	Confident	3 Å²	3	78 Å²	78	2%	0.015	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	134.3	-178.1	-173.6	176	0	0	0	110.6	T32 F33 Y50 V64 K65 Y67 M104	T32-I48 WeakPolarHBondContact O-CA 3.42Å; F33-I48 HydrophobicContact CB-CB 4.05Å; F33-I48 HydrophobicContact CB-CG1 4.02Å; I48-Y50 PolarHBondContact O-N 3.36Å; I48-V64 WeakPolarHBondContact O-CA 3.32Å; I48-K65 HydrophobicContact CG2-CB 3.9Å; I48-K65 PolarHBondContact N-O 2.87Å; I48-K65 PolarHBondContact O-N 2.88Å; I48-Y67 HydrophobicContact CG2-CD2 4.3Å; I48-Y67 HydrophobicContact CG2-CE2 3.79Å; I48-M104 HydrophobicContact CD1-CB 4.47Å; I48-M104 HydrophobicContact CD1-CG 3.75Å
49	K	89.5	Confident	74.6	Confident	17 Å²	17	86.7 Å²	86.7	7%	0.074	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	123.5	170.8	-168.6	-176.6	-170.9	166.9	0	109.6	L25 I26 Q28 G31 T32 N62	L25-K49 WeakPolarHBondContact O-CD 3.46Å; I26-K49 PolarHBondContact O-NZ 3.06Å; Q28-K49 WeakPolarHBondContact O-CD 3.33Å; Q28-K49 VanDerWaalsContact O-CE 3.3Å; Q28-K49 WeakPolarHBondContact O-CE 3.4Å; Q28-K49 PolarHBondContact O-NZ 3.44Å; G31-K49 PolarHBondContact N-O 2.96Å; T32-K49 PolarHBondContact O-N 3Å; K49-N62 WeakPolarHBondContact CE-OD1 3.45Å
50	Y	82.6	Confident	73	Confident	57 Å²	57	88.5 Å²	88.5	22%	0.224	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	147.8	-179.1	-166	-89.8	0	0	0	109.7	I48 Y52 E63 K65	I48-Y50 PolarHBondContact O-N 3.36Å; Y50-Y52 HydrophobicContact CD1-CD1 4.38Å; Y50-Y52 HydrophobicContact CD1-CD2 4.1Å; Y50-Y52 HydrophobicContact CD1-CE1 4.4Å; Y50-Y52 HydrophobicContact CD1-CE2 4.13Å; Y50-Y52 HydrophobicContact CD1-CG 4.26Å; Y50-Y52 AromaticContact CE1-CD1 3.91Å; Y50-Y52 HydrophobicContact CE1-CD1 3.91Å; Y50-Y52 HydrophobicContact CE1-CD2 4.43Å; Y50-Y52 HydrophobicContact CE1-CE1 4.01Å; Y50-Y52 HydrophobicContact CE1-CG 4.16Å; Y50-E63 PolarHBondContact N-O 2.9Å; Y50-E63 PolarHBondContact O-N 3.35Å; Y50-E63 VanDerWaalsContact O-O 3.04Å; Y50-K65 HydrophobicContact CD1-CD 4.22Å; Y50-K65 VanDerWaalsContact CD1-CE 3.48Å; Y50-K65 HydrophobicContact CD2-CD 4.22Å; Y50-K65 HydrophobicContact CG-CD 3.89Å; Y50-K65 HydrophobicContact CG-CG 4.4Å
51	V	73.7	Confident	71.5	Confident	16 Å²	16	84.2 Å²	84.2	10%	0.097	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	127.7	171.9	168.3	0	0	0	0	108.6	V30 F53	V30-V51 HydrophobicContact CB-CG2 4.42Å; V30-V51 HydrophobicContact CG1-CB 4.3Å; V30-V51 HydrophobicContact CG1-CG2 4.21Å; V30-V51 HydrophobicContact CG2-CB 4.16Å; V30-V51 HydrophobicContact CG2-CG2 3.33Å; V51-F53 HydrophobicContact CG1-CE2 4.42Å; V51-F53 HydrophobicContact CG1-CZ 4.41Å
52	Y	63.9	Low	70.5	Confident	76 Å²	76	81.8 Å²	81.8	30%	0.298	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	125.7	167.4	-71.6	-81.9	0	0	0	109.4	Y50 Y54 E63 K65	Y50-Y52 HydrophobicContact CD1-CD1 4.38Å; Y50-Y52 HydrophobicContact CD1-CD2 4.1Å; Y50-Y52 HydrophobicContact CD1-CE1 4.4Å; Y50-Y52 HydrophobicContact CD1-CE2 4.13Å; Y50-Y52 HydrophobicContact CD1-CG 4.26Å; Y50-Y52 AromaticContact CE1-CD1 3.91Å; Y50-Y52 HydrophobicContact CE1-CD1 3.91Å; Y50-Y52 HydrophobicContact CE1-CD2 4.43Å; Y50-Y52 HydrophobicContact CE1-CE1 4.01Å; Y50-Y52 HydrophobicContact CE1-CG 4.16Å; Y52-Y54 VanDerWaalsContact CB-CE2 3.45Å; Y52-Y54 HydrophobicContact CG-CE2 4.07Å; Y52-Y54 PolarHBondContact O-N 3.44Å; Y52-E63 WeakPolarHBondContact CE2-OE2 2.98Å; Y52-K65 VanDerWaalsContact CZ-NZ 3.35Å; Y52-K65 WeakPolarHBondContact OH-CE 3.1Å; Y52-K65 PolarHBondContact OH-NZ 3.49Å
53	F	58.9	Low	70.3	Confident	178 Å²	178	81.4 Å²	81.4	78%	0.781	39%	0.393	S	S	*	.			trans	-85.7	98.4	163.9	-66.9	-81.1	0	0	0	107.6	V51	V51-F53 HydrophobicContact CG1-CE2 4.42Å; V51-F53 HydrophobicContact CG1-CZ 4.41Å
54	Y	54	Low	70.1	Confident	145 Å²	145	81.6 Å²	81.6	57%	0.569	39%	0.39	S	S	*	.			trans	-82.6	122.7	167	-71.4	-80.3	0	0	0	108.5	Y52 L56	Y52-Y54 VanDerWaalsContact CB-CE2 3.45Å; Y52-Y54 HydrophobicContact CG-CE2 4.07Å; Y52-Y54 PolarHBondContact O-N 3.44Å; Y54-L56 PolarHBondContact O-N 2.96Å; Y54-L56 VanDerWaalsContact O-N 3.1Å
55	V	48.5	Very low	69.9	Low	143 Å²	143	81.7 Å²	81.7	87%	0.867	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	0.6	-170.9	178.1	0	0	0	0	113.8
56	L	51.1	Low	69.7	Low	165 Å²	165	86.1 Å²	86.1	86%	0.864	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.4	-0.2	-173.6	-76.8	161.5	0	0	0	116	Y54	Y54-L56 PolarHBondContact O-N 2.96Å; Y54-L56 VanDerWaalsContact O-N 3.1Å
57	I	52.2	Low	69.6	Low	118 Å²	118	89.4 Å²	89.4	61%	0.605	42%	0.42	S	S	*	.	S	Bend	trans	-148.1	120.5	173.2	-51.8	177.2	0	0	0	106.9	R59	I57-R59 HydrophobicContact CG2-CB 4.41Å; I57-R59 HydrophobicContact CG2-CG 3.94Å; I57-R59 PolarHBondContact O-N 3Å
58	I	47.3	Very low	69.5	Low	175 Å²	175	92.2 Å²	92.2	90%	0.897	43%	0.434	S	S	*	.			trans	-70.9	76.6	172.6	-50.2	174.4	0	0	0	108.1
59	R	47.2	Very low	69.5	Low	200 Å²	200	92 Å²	92	76%	0.755	43%	0.434	S	S	*	.			trans	-126.2	101.4	163	-75.2	-173.8	-177	-162.6	1.8	106	I57 A61	I57-R59 HydrophobicContact CG2-CB 4.41Å; I57-R59 HydrophobicContact CG2-CG 3.94Å; I57-R59 PolarHBondContact O-N 3Å; R59-A61 PolarHBondContact O-N 2.9Å
60	E	51.5	Low	69.7	Low	140 Å²	140	93.5 Å²	93.5	65%	0.654	44%	0.444	S	S	*	.			trans	-61.9	93.8	166.1	-68.6	-174.8	162.8	0	0	107.7	N62	E60-N62 PolarHBondContact O-N 2.49Å
61	A	52.9	Low	70	Confident	30 Å²	30	94.3 Å²	94.3	25%	0.248	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	96.9	172.2	0	0	0	0	0	107.4	R59 E63	R59-A61 PolarHBondContact O-N 2.9Å; A61-E63 VanDerWaalsContact C-N 3.34Å; A61-E63 HydrophobicContact CB-CG 4.31Å; A61-E63 PolarHBondContact O-N 3.48Å
62	N	64	Low	70.8	Confident	83 Å²	83	94.7 Å²	94.7	44%	0.444	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	90.1	170.9	-81.3	-41.3	0	0	0	108.9	K49 E60	K49-N62 WeakPolarHBondContact CE-OD1 3.45Å; E60-N62 PolarHBondContact O-N 2.49Å
63	E	79.8	Confident	71.9	Confident	94 Å²	94	95.3 Å²	95.3	44%	0.439	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	145.9	179.5	-68.6	-164.9	161.8	0	0	112	Y50 Y52 A61	Y50-E63 PolarHBondContact N-O 2.9Å; Y50-E63 PolarHBondContact O-N 3.35Å; Y50-E63 VanDerWaalsContact O-O 3.04Å; Y52-E63 WeakPolarHBondContact CE2-OE2 2.98Å; A61-E63 VanDerWaalsContact C-N 3.34Å; A61-E63 HydrophobicContact CB-CG 4.31Å; A61-E63 PolarHBondContact O-N 3.48Å
64	V	86.6	Confident	73.4	Confident	23 Å²	23	95.6 Å²	95.6	14%	0.139	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	109.5	169.7	177.2	0	0	0	0	108.4	L25 A47 I48 R66	L25-V64 HydrophobicContact CB-CG2 3.79Å; L25-V64 HydrophobicContact CD1-CG1 3.59Å; L25-V64 HydrophobicContact CD1-CG2 4.11Å; A47-V64 HydrophobicContact CB-CG1 3.95Å; I48-V64 WeakPolarHBondContact O-CA 3.32Å; V64-R66 HydrophobicContact CG1-CG 4.31Å; V64-R66 PolarHBondContact O-NH1 3.41Å
65	K	88.8	Confident	75.1	Confident	41 Å²	41	93.7 Å²	93.7	18%	0.178	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	142.4	169.8	-70.3	-171.6	178.4	-175.2	0	109.6	A47 I48 Y50 Y52 Y67	A47-K65 CarbonylContact C-O 3.45Å; A47-K65 WeakPolarHBondContact CA-O 3.49Å; I48-K65 HydrophobicContact CG2-CB 3.9Å; I48-K65 PolarHBondContact N-O 2.87Å; I48-K65 PolarHBondContact O-N 2.88Å; Y50-K65 HydrophobicContact CD1-CD 4.22Å; Y50-K65 VanDerWaalsContact CD1-CE 3.48Å; Y50-K65 HydrophobicContact CD2-CD 4.22Å; Y50-K65 HydrophobicContact CG-CD 3.89Å; Y50-K65 HydrophobicContact CG-CG 4.4Å; Y52-K65 VanDerWaalsContact CZ-NZ 3.35Å; Y52-K65 WeakPolarHBondContact OH-CE 3.1Å; Y52-K65 PolarHBondContact OH-NZ 3.49Å; K65-Y67 HydrophobicContact CB-CE2 3.82Å; K65-Y67 WeakPolarHBondContact CD-OH 3.25Å
66	R	91.2	Very high	77.1	Confident	104 Å²	104	94 Å²	94	39%	0.392	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	127.2	-179.2	-61.9	178.7	-157.2	78.4	0.3	109.2	N22 V45 L46 A47 V64	N22-R66 PolarHBondContact ND2-NH2 3.16Å; N22-R66 PolarHBondContact OD1-NE 3.02Å; N22-R66 PolarHBondContact OD1-NH2 2.97Å; V45-R66 HydrophobicContact CG1-CB 3.92Å; V45-R66 HydrophobicContact CG1-CG 4.37Å; L46-R66 CarbonylContact O-C 3.58Å; L46-R66 WeakPolarHBondContact O-CA 3.39Å; A47-R66 HydrophobicContact CB-CG 4.4Å; V64-R66 HydrophobicContact CG1-CG 4.31Å; V64-R66 PolarHBondContact O-NH1 3.41Å
67	Y	91.9	Very high	79	Confident	69 Å²	69	90.2 Å²	90.2	27%	0.271	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	128.8	179.6	-60.4	-83.3	0	0	0	109.8	V45 L46 I48 K65 F80 T102	V45-Y67 CarbonylContact C-O 3.5Å; V45-Y67 WeakPolarHBondContact CA-O 3.41Å; L46-Y67 HydrophobicContact CD2-CD2 4.36Å; L46-Y67 HydrophobicContact CG-CD2 4.48Å; L46-Y67 PolarHBondContact N-O 3.01Å; L46-Y67 PolarHBondContact O-N 3.4Å; I48-Y67 HydrophobicContact CG2-CD2 4.3Å; I48-Y67 HydrophobicContact CG2-CE2 3.79Å; K65-Y67 HydrophobicContact CB-CE2 3.82Å; K65-Y67 WeakPolarHBondContact CD-OH 3.25Å; Y67-F80 AromaticContact CD1-CE2 3.82Å; Y67-F80 HydrophobicContact CD1-CE2 3.82Å; Y67-F80 HydrophobicContact CD1-CZ 4.28Å; Y67-F80 AromaticContact CG-CE2 3.72Å; Y67-F80 HydrophobicContact CG-CE2 3.72Å; Y67-F80 HydrophobicContact CG-CZ 4.18Å; Y67-T102 HydrophobicContact CE2-CG2 4.18Å
68	L	92.2	Very high	80.8	Confident	59 Å²	59	84.9 Å²	84.9	31%	0.309	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	125.5	176.4	-175.5	71.4	0	0	0	109.8	K41 V45 T70	K41-L68 HydrophobicContact CB-CD1 4.39Å; K41-L68 HydrophobicContact CB-CD2 4.33Å; K41-L68 HydrophobicContact CD-CD2 3.61Å; K41-L68 HydrophobicContact CG-CD2 4.5Å; V45-L68 HydrophobicContact CG2-CD1 4.23Å; L68-T70 HydrophobicContact CD2-CG2 3.55Å; L68-T70 HydrophobicContact CG-CG2 3.77Å
69	L	92.5	Very high	83	Confident	0 Å²	0	80.7 Å²	80.7	0%	0	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	108	172.7	-49.2	-177.6	0	0	0	107.5	I35 G43 Y44 L46 F80 L88 L91	I35-L69 HydrophobicContact CD1-CD1 4Å; I35-L69 HydrophobicContact CG2-CD1 4.34Å; G43-L69 WeakPolarHBondContact CA-O 3.5Å; Y44-L69 PolarHBondContact N-O 2.92Å; Y44-L69 PolarHBondContact O-N 3.28Å; L46-L69 HydrophobicContact CB-CD1 4.13Å; L46-L69 HydrophobicContact CB-CD2 4.27Å; L46-L69 HydrophobicContact CB-CG 4.25Å; L69-F80 HydrophobicContact CD2-CB 3.76Å; L69-F80 HydrophobicContact CD2-CD2 3.48Å; L69-F80 VanDerWaalsContact CD2-CD2 3.48Å; L69-F80 HydrophobicContact CD2-CE2 4.33Å; L69-F80 HydrophobicContact CD2-CG 3.71Å; L69-L88 HydrophobicContact CD1-CD2 3.82Å; L69-L91 HydrophobicContact CD1-CD1 4.23Å; L69-L91 HydrophobicContact CD2-CD1 3.82Å
70	T	92.3	Very high	85	Confident	47 Å²	47	72.4 Å²	72.4	29%	0.288	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	146.5	-175.3	54.4	0	0	0	0	110.8	L68 F78 K79	L68-T70 HydrophobicContact CD2-CG2 3.55Å; L68-T70 HydrophobicContact CG-CG2 3.77Å; T70-F78 CarbonylContact O-C 3.57Å; T70-F78 WeakPolarHBondContact O-CA 3.5Å; T70-K79 PolarHBondContact N-O 3.05Å; T70-K79 PolarHBondContact O-N 2.86Å
71	W	89.8	Confident	86.6	Confident	75 Å²	75	68.2 Å²	68.2	28%	0.284	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	129.3	171	176	-114.8	0	0	0	109.4	V3 P73 K76 F78	V3-W71 HydrophobicContact CG2-CH2 3.32Å; V3-W71 HydrophobicContact CG2-CZ2 4.04Å; V3-W71 HydrophobicContact CG2-CZ3 3.72Å; W71-P73 WeakPolarHBondContact O-CD 3.49Å; W71-K76 HydrophobicContact CH2-CB 3.91Å; W71-K76 WeakPolarHBondContact CH2-O 3.42Å; W71-K76 HydrophobicContact CZ2-CB 4.09Å; W71-K76 HydrophobicContact CZ2-CG 4.43Å; W71-K76 VanDerWaalsContact CZ3-C 3.46Å; W71-F78 HydrophobicContact CD2-CE1 4.48Å; W71-F78 AromaticContact CE3-CD1 3.82Å; W71-F78 HydrophobicContact CE3-CD1 3.82Å; W71-F78 HydrophobicContact CE3-CD2 4.27Å; W71-F78 AromaticContact CE3-CE1 3.62Å; W71-F78 HydrophobicContact CE3-CE1 3.62Å; W71-F78 HydrophobicContact CE3-CE2 4.11Å; W71-F78 HydrophobicContact CE3-CG 4.14Å; W71-F78 AromaticContact CE3-CZ 3.78Å; W71-F78 HydrophobicContact CE3-CZ 3.78Å; W71-F78 HydrophobicContact CZ3-CD2 4.15Å; W71-F78 HydrophobicContact CZ3-CE1 4.25Å; W71-F78 AromaticContact CZ3-CE2 3.9Å; W71-F78 HydrophobicContact CZ3-CE2 3.9Å; W71-F78 HydrophobicContact CZ3-CG 4.46Å; W71-F78 AromaticContact CZ3-CZ 3.95Å; W71-F78 HydrophobicContact CZ3-CZ 3.95Å
72	A	90	Very high	88.2	Confident	23 Å²	23	74.2 Å²	74.2	19%	0.19	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	97	173.1	0	0	0	0	0	109	Q74 L75 K76 K77	A72-Q74 VanDerWaalsContact C-N 3.29Å; A72-Q74 PolarHBondContact O-N 3.07Å; A72-L75 HydrophobicContact CB-CB 4.34Å; A72-L75 PolarHBondContact O-N 2.79Å; A72-K76 PolarHBondContact O-N 2.86Å; A72-K77 WeakPolarHBondContact CB-O 3.27Å; A72-K77 PolarHBondContact N-O 3.49Å; A72-K77 PolarHBondContact O-N 2.77Å
73	P	86.9	Confident	89.5	Confident	90 Å²	90	73.8 Å²	73.8	58%	0.584	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-37.1	-169.4	-21.8	33	0	0	0	113.4	W71 L75 K76	W71-P73 WeakPolarHBondContact O-CD 3.49Å; P73-L75 VanDerWaalsContact C-N 3.35Å; P73-L75 PolarHBondContact O-N 2.99Å; P73-K76 PolarHBondContact O-N 2.92Å
74	Q	90.3	Very high	90.1	Very high	183 Å²	183	72.5 Å²	72.5	86%	0.855	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-36.6	-178.9	-59.5	-61.1	-4.7	0	0	112.6	A72	A72-Q74 VanDerWaalsContact C-N 3.29Å; A72-Q74 PolarHBondContact O-N 3.07Å
75	L	90.3	Very high	90.4	Very high	105 Å²	105	72.1 Å²	72.1	55%	0.55	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-9.5	-178.1	-60.2	177.5	0	0	0	112.5	A72 P73 K77 L84	A72-L75 HydrophobicContact CB-CB 4.34Å; A72-L75 PolarHBondContact O-N 2.79Å; P73-L75 VanDerWaalsContact C-N 3.35Å; P73-L75 PolarHBondContact O-N 2.99Å; L75-K77 HydrophobicContact CB-CB 4.32Å; L75-K77 WeakPolarHBondContact O-CG 2.85Å; L75-K77 PolarHBondContact O-N 3.38Å; L75-L84 HydrophobicContact CD1-CD1 3.52Å; L75-L84 HydrophobicContact CD1-CD2 4.31Å
76	K	89.4	Confident	90.5	Very high	149 Å²	149	73.3 Å²	73.3	65%	0.648	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.7	43.2	-169.9	-60.2	-177.8	179.8	177.9	0	112.4	W71 A72 P73	W71-K76 HydrophobicContact CH2-CB 3.91Å; W71-K76 WeakPolarHBondContact CH2-O 3.42Å; W71-K76 HydrophobicContact CZ2-CB 4.09Å; W71-K76 HydrophobicContact CZ2-CG 4.43Å; W71-K76 VanDerWaalsContact CZ3-C 3.46Å; A72-K76 PolarHBondContact O-N 2.86Å; P73-K76 PolarHBondContact O-N 2.92Å
77	K	91.9	Very high	90.4	Very high	87 Å²	87	69.9 Å²	69.9	38%	0.378	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	153.4	-177.5	-74.5	-174.6	-176.1	-171.9	0	111.4	A72 L75 L84 Y85	A72-K77 WeakPolarHBondContact CB-O 3.27Å; A72-K77 PolarHBondContact N-O 3.49Å; A72-K77 PolarHBondContact O-N 2.77Å; L75-K77 HydrophobicContact CB-CB 4.32Å; L75-K77 WeakPolarHBondContact O-CG 2.85Å; L75-K77 PolarHBondContact O-N 3.38Å; K77-L84 HydrophobicContact CB-CB 4.31Å; K77-L84 HydrophobicContact CB-CD2 4.36Å; K77-L84 HydrophobicContact CD-CB 3.92Å; K77-Y85 CarbonylContact C-O 3.56Å; K77-Y85 VanDerWaalsContact CA-O 3.3Å; K77-Y85 WeakPolarHBondContact CA-O 3.24Å; K77-Y85 VanDerWaalsContact CB-O 3.25Å; K77-Y85 WeakPolarHBondContact CB-O 3.39Å
78	F	90.9	Very high	90.4	Very high	6 Å²	6	66.6 Å²	66.6	3%	0.026	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	137.2	167.9	-66.1	-74.9	0	0	0	110.2	V3 Y44 T70 W71 L84 Y85 L88	V3-F78 HydrophobicContact CB-CE2 4.45Å; V3-F78 HydrophobicContact CB-CZ 4.39Å; V3-F78 HydrophobicContact CG1-CE2 4.22Å; Y44-F78 HydrophobicContact CD2-CD1 4.37Å; Y44-F78 AromaticContact CD2-CE1 3.84Å; Y44-F78 HydrophobicContact CD2-CE1 3.84Å; Y44-F78 HydrophobicContact CE2-CD1 4.5Å; Y44-F78 AromaticContact CE2-CE1 3.56Å; Y44-F78 HydrophobicContact CE2-CE1 3.56Å; Y44-F78 AromaticContact CE2-CZ 3.97Å; Y44-F78 HydrophobicContact CE2-CZ 3.97Å; T70-F78 CarbonylContact O-C 3.57Å; T70-F78 WeakPolarHBondContact O-CA 3.5Å; W71-F78 HydrophobicContact CD2-CE1 4.48Å; W71-F78 AromaticContact CE3-CD1 3.82Å; W71-F78 HydrophobicContact CE3-CD1 3.82Å; W71-F78 HydrophobicContact CE3-CD2 4.27Å; W71-F78 AromaticContact CE3-CE1 3.62Å; W71-F78 HydrophobicContact CE3-CE1 3.62Å; W71-F78 HydrophobicContact CE3-CE2 4.11Å; W71-F78 HydrophobicContact CE3-CG 4.14Å; W71-F78 AromaticContact CE3-CZ 3.78Å; W71-F78 HydrophobicContact CE3-CZ 3.78Å; W71-F78 HydrophobicContact CZ3-CD2 4.15Å; W71-F78 HydrophobicContact CZ3-CE1 4.25Å; W71-F78 AromaticContact CZ3-CE2 3.9Å; W71-F78 HydrophobicContact CZ3-CE2 3.9Å; W71-F78 HydrophobicContact CZ3-CG 4.46Å; W71-F78 AromaticContact CZ3-CZ 3.95Å; W71-F78 HydrophobicContact CZ3-CZ 3.95Å; F78-L84 CarbonylContact O-C 3.56Å; F78-L84 WeakPolarHBondContact O-CA 3.35Å; F78-Y85 PolarHBondContact N-O 3.16Å; F78-Y85 PolarHBondContact O-N 3.34Å; F78-L88 HydrophobicContact CB-CD2 4.2Å; F78-L88 HydrophobicContact CD1-CD2 3.89Å; F78-L88 HydrophobicContact CD1-CG 4.48Å; F78-L88 HydrophobicContact CD2-CD2 4.04Å; F78-L88 HydrophobicContact CD2-CG 4.22Å; F78-L88 HydrophobicContact CE1-CD2 4.3Å; F78-L88 HydrophobicContact CE1-CG 4.44Å; F78-L88 HydrophobicContact CE2-CD2 4.41Å; F78-L88 HydrophobicContact CE2-CG 4.15Å; F78-L88 HydrophobicContact CG-CD2 3.75Å; F78-L88 HydrophobicContact CG-CG 4.37Å; F78-L88 HydrophobicContact CZ-CG 4.27Å
79	K	91.7	Very high	90.3	Very high	87 Å²	87	66.6 Å²	66.6	38%	0.378	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	128.9	176.8	179.4	177.8	177	174.9	0	110	T70 G81 T83 L84	T70-K79 PolarHBondContact N-O 3.05Å; T70-K79 PolarHBondContact O-N 2.86Å; K79-G81 WeakPolarHBondContact CE-O 3.41Å; K79-G81 WeakPolarHBondContact CG-O 3.45Å; K79-T83 WeakPolarHBondContact CA-O 3.31Å; K79-L84 HydrophobicContact CB-CD2 3.84Å; K79-L84 HydrophobicContact CG-CD2 4.24Å
80	F	90.1	Very high	90.2	Very high	25 Å²	25	69 Å²	69	11%	0.11	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	115.8	171.7	175.3	-127.2	0	0	0	109.7	L46 Y67 L69 D82 T83 Y85 L91 H95 T102	L46-F80 HydrophobicContact CD2-CZ 4.45Å; Y67-F80 AromaticContact CD1-CE2 3.82Å; Y67-F80 HydrophobicContact CD1-CE2 3.82Å; Y67-F80 HydrophobicContact CD1-CZ 4.28Å; Y67-F80 AromaticContact CG-CE2 3.72Å; Y67-F80 HydrophobicContact CG-CE2 3.72Å; Y67-F80 HydrophobicContact CG-CZ 4.18Å; L69-F80 HydrophobicContact CD2-CB 3.76Å; L69-F80 HydrophobicContact CD2-CD2 3.48Å; L69-F80 VanDerWaalsContact CD2-CD2 3.48Å; L69-F80 HydrophobicContact CD2-CE2 4.33Å; L69-F80 HydrophobicContact CD2-CG 3.71Å; F80-D82 PolarHBondContact O-N 2.86Å; F80-T83 PolarHBondContact N-O 2.84Å; F80-T83 PolarHBondContact O-N 3.42Å; F80-Y85 HydrophobicContact CB-CD2 4.31Å; F80-Y85 HydrophobicContact CB-CE2 3.86Å; F80-Y85 HydrophobicContact CD1-CE2 4.45Å; F80-L91 HydrophobicContact CB-CD1 3.59Å; F80-L91 HydrophobicContact CD1-CD1 4.12Å; F80-L91 HydrophobicContact CD1-CG 4.5Å; F80-L91 HydrophobicContact CG-CD1 4.02Å; F80-H95 AromaticContact CD1-CE1 3.52Å; F80-H95 AromaticContact CD1-NE2 3.54Å; F80-H95 AromaticContact CE1-CE1 3.74Å; F80-H95 AromaticContact CE1-NE2 3.36Å; F80-H95 WeakPolarHBondContact CE1-NE2 3.46Å; F80-T102 HydrophobicContact CE1-CG2 4.37Å; F80-T102 HydrophobicContact CZ-CG2 3.92Å
81	G	86.2	Confident	90.2	Very high	52 Å²	52	66.8 Å²	66.8	54%	0.536	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.5	-125.6	-165.2	0	0	0	0	0	110.1	K79	K79-G81 WeakPolarHBondContact CE-O 3.41Å; K79-G81 WeakPolarHBondContact CG-O 3.45Å
82	D	86.1	Confident	90.2	Very high	157 Å²	157	63.7 Å²	63.7	84%	0.84	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.6	3.6	176.4	-60.9	-45.4	0	0	0	113.8	F80	F80-D82 PolarHBondContact O-N 2.86Å
83	T	90.8	Very high	90.2	Very high	73 Å²	73	70.5 Å²	70.5	45%	0.448	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	145.8	-179.2	-50.1	0	0	0	0	111.5	K79 F80 Y85	K79-T83 WeakPolarHBondContact CA-O 3.31Å; F80-T83 PolarHBondContact N-O 2.84Å; F80-T83 PolarHBondContact O-N 3.42Å; T83-Y85 WeakPolarHBondContact CB-OH 3.49Å; T83-Y85 HydrophobicContact CG2-CE1 4.08Å; T83-Y85 HydrophobicContact CG2-CE2 3.69Å; T83-Y85 VanDerWaalsContact CG2-CZ 3.42Å; T83-Y85 WeakPolarHBondContact CG2-OH 3.15Å
84	L	92.6	Very high	90.2	Very high	68 Å²	68	69.2 Å²	69.2	36%	0.356	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	136.3	178.4	-66	169.2	0	0	0	110.8	L75 K77 F78 K79	L75-L84 HydrophobicContact CD1-CD1 3.52Å; L75-L84 HydrophobicContact CD1-CD2 4.31Å; K77-L84 HydrophobicContact CB-CB 4.31Å; K77-L84 HydrophobicContact CB-CD2 4.36Å; K77-L84 HydrophobicContact CD-CB 3.92Å; F78-L84 CarbonylContact O-C 3.56Å; F78-L84 WeakPolarHBondContact O-CA 3.35Å; K79-L84 HydrophobicContact CB-CD2 3.84Å; K79-L84 HydrophobicContact CG-CD2 4.24Å
85	Y	91.8	Very high	90.1	Very high	14 Å²	14	61.4 Å²	61.4	6%	0.055	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	139.7	-177.8	-57.4	-88.7	0	0	0	109.8	K77 F78 F80 T83 S87 E90 L91 L94 H95	K77-Y85 CarbonylContact C-O 3.56Å; K77-Y85 VanDerWaalsContact CA-O 3.3Å; K77-Y85 WeakPolarHBondContact CA-O 3.24Å; K77-Y85 VanDerWaalsContact CB-O 3.25Å; K77-Y85 WeakPolarHBondContact CB-O 3.39Å; F78-Y85 PolarHBondContact N-O 3.16Å; F78-Y85 PolarHBondContact O-N 3.34Å; F80-Y85 HydrophobicContact CB-CD2 4.31Å; F80-Y85 HydrophobicContact CB-CE2 3.86Å; F80-Y85 HydrophobicContact CD1-CE2 4.45Å; T83-Y85 WeakPolarHBondContact CB-OH 3.49Å; T83-Y85 HydrophobicContact CG2-CE1 4.08Å; T83-Y85 HydrophobicContact CG2-CE2 3.69Å; T83-Y85 VanDerWaalsContact CG2-CZ 3.42Å; T83-Y85 WeakPolarHBondContact CG2-OH 3.15Å; Y85-S87 VanDerWaalsContact C-N 3.28Å; Y85-E90 HydrophobicContact CD1-CG 4.27Å; Y85-L91 HydrophobicContact CD1-CB 3.8Å; Y85-L91 HydrophobicContact CD1-CG 4.41Å; Y85-L91 HydrophobicContact CD2-CB 4.12Å; Y85-L91 HydrophobicContact CD2-CD1 3.79Å; Y85-L91 HydrophobicContact CD2-CG 4.16Å; Y85-L91 HydrophobicContact CE1-CB 4.26Å; Y85-L91 HydrophobicContact CE1-CG 4.46Å; Y85-L91 HydrophobicContact CE2-CD1 4.01Å; Y85-L91 HydrophobicContact CE2-CG 4.24Å; Y85-L91 HydrophobicContact CG-CB 3.73Å; Y85-L91 HydrophobicContact CG-CD1 4.26Å; Y85-L91 HydrophobicContact CG-CG 4.27Å; Y85-L94 HydrophobicContact CD1-CD1 4.05Å; Y85-L94 HydrophobicContact CE1-CD1 3.74Å; Y85-H95 AromaticContact CE1-CE1 3.96Å; Y85-H95 AromaticContact CZ-CE1 3.46Å; Y85-H95 VanDerWaalsContact CZ-CE1 3.46Å; Y85-H95 PolarHBondContact OH-CE1 3.43Å; Y85-H95 PolarHBondContact OH-NE2 2.84Å
86	S	90.9	Very high	89.9	Confident	66 Å²	66	59.1 Å²	59.1	46%	0.462	31%	0.308	S	S	.	.	S	Bend	trans	-67.8	-30.7	175.4	64.1	0	0	0	0	112.6	E90	S86-E90 VanDerWaalsContact CB-OE2 3.31Å; S86-E90 WeakPolarHBondContact CB-OE2 3.46Å; S86-E90 PolarHBondContact N-OE2 2.73Å; S86-E90 PolarHBondContact OG-OE2 3.23Å
87	S	90.7	Very high	89.4	Confident	32 Å²	32	55.8 Å²	55.8	22%	0.224	30%	0.304	C	S	.	.	S	Bend	trans	-148.7	162.8	-179.6	59.7	0	0	0	0	111.2	Y85 D89 E90 L91	Y85-S87 VanDerWaalsContact C-N 3.28Å; S87-D89 VanDerWaalsContact C-N 3.3Å; S87-E90 PolarHBondContact O-N 3.04Å; S87-E90 WeakPolarHBondContact OG-CB 3.22Å; S87-E90 PolarHBondContact OG-N 2.89Å; S87-E90 VanDerWaalsContact OG-N 3.12Å; S87-L91 PolarHBondContact O-N 3.12Å
88	L	91.3	Very high	88.1	Confident	1 Å²	1	57.6 Å²	57.6	1%	0.005	31%	0.313	C	S	.	.	H	α-helix	trans	-66.9	-34.1	170.6	-66.7	-170.6	0	0	0	111.8	L5 W11 I35 Y44 L69 F78 E90 L91 V92	L5-L88 HydrophobicContact CD2-CB 4.16Å; L5-L88 HydrophobicContact CD2-CD1 3.48Å; L5-L88 VanDerWaalsContact CD2-CD1 3.48Å; L5-L88 HydrophobicContact CD2-CG 3.97Å; W11-L88 HydrophobicContact CH2-CB 3.56Å; W11-L88 HydrophobicContact CH2-CD1 4.31Å; W11-L88 HydrophobicContact CZ2-CB 4.42Å; W11-L88 HydrophobicContact CZ3-CB 4.01Å; W11-L88 HydrophobicContact CZ3-CD1 4.09Å; I35-L88 HydrophobicContact CG2-CD1 4.17Å; Y44-L88 HydrophobicContact CD1-CD1 4.24Å; Y44-L88 HydrophobicContact CD2-CD1 3.57Å; Y44-L88 HydrophobicContact CD2-CD2 4.3Å; Y44-L88 HydrophobicContact CD2-CG 4.34Å; Y44-L88 HydrophobicContact CE1-CD1 4.47Å; Y44-L88 HydrophobicContact CE2-CD1 3.82Å; Y44-L88 HydrophobicContact CG-CD1 3.79Å; L69-L88 HydrophobicContact CD1-CD2 3.82Å; F78-L88 HydrophobicContact CB-CD2 4.2Å; F78-L88 HydrophobicContact CD1-CD2 3.89Å; F78-L88 HydrophobicContact CD1-CG 4.48Å; F78-L88 HydrophobicContact CD2-CD2 4.04Å; F78-L88 HydrophobicContact CD2-CG 4.22Å; F78-L88 HydrophobicContact CE1-CD2 4.3Å; F78-L88 HydrophobicContact CE1-CG 4.44Å; F78-L88 HydrophobicContact CE2-CD2 4.41Å; F78-L88 HydrophobicContact CE2-CG 4.15Å; F78-L88 HydrophobicContact CG-CD2 3.75Å; F78-L88 HydrophobicContact CG-CG 4.37Å; F78-L88 HydrophobicContact CZ-CG 4.27Å; L88-E90 VanDerWaalsContact C-N 3.31Å; L88-E90 PolarHBondContact O-N 3.45Å; L88-L91 WeakPolarHBondContact O-CB 3.43Å; L88-L91 PolarHBondContact O-N 2.72Å; L88-V92 WeakPolarHBondContact O-CG2 3.26Å; L88-V92 PolarHBondContact O-N 2.87Å
89	D	90.7	Very high	86.5	Confident	58 Å²	58	63.6 Å²	63.6	31%	0.31	36%	0.356	S	S	.	.	H	α-helix	trans	-57.6	-43.1	173.6	-69.6	-88.1	0	0	0	112.1	W11 S87 V92 R93	W11-D89 HydrophobicContact CZ2-CB 4.49Å; W11-D89 WeakPolarHBondContact CZ2-OD1 3.35Å; S87-D89 VanDerWaalsContact C-N 3.3Å; D89-V92 PolarHBondContact O-N 2.96Å; D89-R93 VanDerWaalsContact O-CB 3.23Å; D89-R93 WeakPolarHBondContact O-CB 3.28Å; D89-R93 PolarHBondContact O-N 2.99Å
90	E	90.7	Very high	84.9	Confident	51 Å²	51	61 Å²	61	24%	0.238	35%	0.348	C	S	.	.	H	α-helix	trans	-62	-45.8	174.9	-176.5	-175.5	-165.4	0	0	111.5	Y85 S86 S87 L88 V92 R93 L94	Y85-E90 HydrophobicContact CD1-CG 4.27Å; S86-E90 VanDerWaalsContact CB-OE2 3.31Å; S86-E90 WeakPolarHBondContact CB-OE2 3.46Å; S86-E90 PolarHBondContact N-OE2 2.73Å; S86-E90 PolarHBondContact OG-OE2 3.23Å; S87-E90 PolarHBondContact O-N 3.04Å; S87-E90 WeakPolarHBondContact OG-CB 3.22Å; S87-E90 PolarHBondContact OG-N 2.89Å; S87-E90 VanDerWaalsContact OG-N 3.12Å; L88-E90 VanDerWaalsContact C-N 3.31Å; L88-E90 PolarHBondContact O-N 3.45Å; E90-V92 PolarHBondContact O-N 3.08Å; E90-R93 PolarHBondContact O-N 2.99Å; E90-L94 HydrophobicContact CG-CD1 3.86Å; E90-L94 HydrophobicContact CG-CG 4.43Å; E90-L94 WeakPolarHBondContact O-CB 3.34Å; E90-L94 WeakPolarHBondContact O-CG 3.04Å; E90-L94 PolarHBondContact O-N 3.1Å
91	L	90.9	Very high	83.2	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	38%	0.382	C	S	.	.	H	α-helix	trans	-56.8	-50	176.2	-179.7	157.4	0	0	0	110.9	L69 F80 Y85 S87 L88 L94 H95 M104	L69-L91 HydrophobicContact CD1-CD1 4.23Å; L69-L91 HydrophobicContact CD2-CD1 3.82Å; F80-L91 HydrophobicContact CB-CD1 3.59Å; F80-L91 HydrophobicContact CD1-CD1 4.12Å; F80-L91 HydrophobicContact CD1-CG 4.5Å; F80-L91 HydrophobicContact CG-CD1 4.02Å; Y85-L91 HydrophobicContact CD1-CB 3.8Å; Y85-L91 HydrophobicContact CD1-CG 4.41Å; Y85-L91 HydrophobicContact CD2-CB 4.12Å; Y85-L91 HydrophobicContact CD2-CD1 3.79Å; Y85-L91 HydrophobicContact CD2-CG 4.16Å; Y85-L91 HydrophobicContact CE1-CB 4.26Å; Y85-L91 HydrophobicContact CE1-CG 4.46Å; Y85-L91 HydrophobicContact CE2-CD1 4.01Å; Y85-L91 HydrophobicContact CE2-CG 4.24Å; Y85-L91 HydrophobicContact CG-CB 3.73Å; Y85-L91 HydrophobicContact CG-CD1 4.26Å; Y85-L91 HydrophobicContact CG-CG 4.27Å; S87-L91 PolarHBondContact O-N 3.12Å; L88-L91 WeakPolarHBondContact O-CB 3.43Å; L88-L91 PolarHBondContact O-N 2.72Å; L91-L94 PolarHBondContact O-N 2.86Å; L91-H95 PolarHBondContact O-N 3.3Å; L91-H95 PolarHBondContact O-ND1 3.18Å; L91-M104 HydrophobicContact CD2-CE 4.06Å
92	V	90.9	Very high	81.9	Confident	11 Å²	11	63.3 Å²	63.3	7%	0.067	36%	0.359	C	S	.	.	H	α-helix	trans	-62.8	-50.1	-179.3	171.8	0	0	0	0	110.1	W11 F33 I35 L88 D89 E90 L94 H95 T96	W11-V92 HydrophobicContact CD2-CG2 3.85Å; W11-V92 HydrophobicContact CE3-CG2 4.25Å; W11-V92 HydrophobicContact CG-CG1 4.21Å; W11-V92 HydrophobicContact CG-CG2 4.13Å; W11-V92 HydrophobicContact CZ2-CG2 4.36Å; F33-V92 HydrophobicContact CE2-CG1 3.81Å; F33-V92 HydrophobicContact CE2-CG2 4.19Å; F33-V92 HydrophobicContact CZ-CG1 3.67Å; I35-V92 HydrophobicContact CD1-CG2 3.7Å; L88-V92 WeakPolarHBondContact O-CG2 3.26Å; L88-V92 PolarHBondContact O-N 2.87Å; D89-V92 PolarHBondContact O-N 2.96Å; E90-V92 PolarHBondContact O-N 3.08Å; V92-L94 VanDerWaalsContact C-N 3.32Å; V92-L94 PolarHBondContact O-N 2.86Å; V92-H95 PolarHBondContact O-N 3.08Å; V92-T96 VanDerWaalsContact O-CB 3.32Å; V92-T96 WeakPolarHBondContact O-CB 3.45Å; V92-T96 PolarHBondContact O-N 3.39Å; V92-T96 PolarHBondContact O-OG1 2.72Å
93	R	88.8	Confident	81.3	Confident	166 Å²	166	63 Å²	63	63%	0.626	35%	0.347	S	S	*	.	H	α-helix	trans	-55.6	-44.7	179.8	-176.4	-178.5	64.5	-176.2	-1.6	112.4	D89 E90 S97	D89-R93 VanDerWaalsContact O-CB 3.23Å; D89-R93 WeakPolarHBondContact O-CB 3.28Å; D89-R93 PolarHBondContact O-N 2.99Å; E90-R93 PolarHBondContact O-N 2.99Å; R93-S97 WeakPolarHBondContact O-CB 3.34Å; R93-S97 PolarHBondContact O-N 2.68Å; R93-S97 VanDerWaalsContact O-N 3.13Å; R93-S97 PolarHBondContact O-OG 3.27Å
94	L	88.1	Confident	81.1	Confident	62 Å²	62	59.8 Å²	59.8	33%	0.325	33%	0.326	S	S	.	.	H	α-helix	trans	-68.7	-44.8	-177	-74.2	172.2	0	0	0	112.6	Y85 E90 L91 V92 S97 H98	Y85-L94 HydrophobicContact CD1-CD1 4.05Å; Y85-L94 HydrophobicContact CE1-CD1 3.74Å; E90-L94 HydrophobicContact CG-CD1 3.86Å; E90-L94 HydrophobicContact CG-CG 4.43Å; E90-L94 WeakPolarHBondContact O-CB 3.34Å; E90-L94 WeakPolarHBondContact O-CG 3.04Å; E90-L94 PolarHBondContact O-N 3.1Å; L91-L94 PolarHBondContact O-N 2.86Å; V92-L94 VanDerWaalsContact C-N 3.32Å; V92-L94 PolarHBondContact O-N 2.86Å; L94-S97 PolarHBondContact O-OG 2.71Å; L94-S97 VanDerWaalsContact O-OG 3.11Å; L94-H98 WeakPolarHBondContact O-CB 3.22Å; L94-H98 PolarHBondContact O-N 2.95Å; L94-H98 PolarHBondContact O-ND1 3.29Å
95	H	86.7	Confident	80.9	Confident	19 Å²	19	63.9 Å²	63.9	9%	0.088	34%	0.337	C	S	.	.	H	α-helix	trans	-82.3	-16.6	-177.6	-67.3	95	0	0	0	113.9	F80 Y85 L91 V92 S100 T102 M104	F80-H95 AromaticContact CD1-CE1 3.52Å; F80-H95 AromaticContact CD1-NE2 3.54Å; F80-H95 AromaticContact CE1-CE1 3.74Å; F80-H95 AromaticContact CE1-NE2 3.36Å; F80-H95 WeakPolarHBondContact CE1-NE2 3.46Å; Y85-H95 AromaticContact CE1-CE1 3.96Å; Y85-H95 AromaticContact CZ-CE1 3.46Å; Y85-H95 VanDerWaalsContact CZ-CE1 3.46Å; Y85-H95 PolarHBondContact OH-CE1 3.43Å; Y85-H95 PolarHBondContact OH-NE2 2.84Å; L91-H95 PolarHBondContact O-N 3.3Å; L91-H95 PolarHBondContact O-ND1 3.18Å; V92-H95 PolarHBondContact O-N 3.08Å; H95-S100 PolarHBondContact CD2-OG 2.82Å; H95-T102 PolarHBondContact CD2-OG1 3.27Å; H95-M104 HydrophobicContact CB-CE 3.11Å
96	T	86.6	Confident	80.9	Confident	58 Å²	58	66.8 Å²	66.8	36%	0.356	35%	0.351	S	S	.	.	H	α-helix	trans	-82	-31.8	169.2	-57.3	0	0	0	0	112.3	V92 M104	V92-T96 VanDerWaalsContact O-CB 3.32Å; V92-T96 WeakPolarHBondContact O-CB 3.45Å; V92-T96 PolarHBondContact O-N 3.39Å; V92-T96 PolarHBondContact O-OG1 2.72Å; T96-M104 WeakPolarHBondContact CA-O 3.28Å
97	S	80	Confident	81	Confident	79 Å²	79	66 Å²	66	55%	0.552	35%	0.345	S	S	*	.	H	α-helix	trans	-84.4	-36.8	180	51.9	0	0	0	0	113.8	R93 L94	R93-S97 WeakPolarHBondContact O-CB 3.34Å; R93-S97 PolarHBondContact O-N 2.68Å; R93-S97 VanDerWaalsContact O-N 3.13Å; R93-S97 PolarHBondContact O-OG 3.27Å; L94-S97 PolarHBondContact O-OG 2.71Å; L94-S97 VanDerWaalsContact O-OG 3.11Å
98	H	63.8	Low	81.2	Confident	124 Å²	124	64.7 Å²	64.7	57%	0.574	34%	0.335	S	S	*	.	S	Bend	trans	-100.5	142.6	-176.1	-64.4	72	0	0	0	110.2	L94 S100	L94-H98 WeakPolarHBondContact O-CB 3.22Å; L94-H98 PolarHBondContact O-N 2.95Å; L94-H98 PolarHBondContact O-ND1 3.29Å; H98-S100 PolarHBondContact O-N 2.93Å; H98-S100 PolarHBondContact O-OG 2.94Å
99	S	56.2	Low	81.3	Confident	132 Å²	132	71 Å²	71	92%	0.923	37%	0.365	S	S	*	.			trans	-66	48.3	172.5	-178.5	0	0	0	0	112.7
100	S	58.5	Low	81.4	Confident	32 Å²	32	70.6 Å²	70.6	22%	0.224	36%	0.36	C	S	.	.			trans	-63.7	153.4	172.8	65	0	0	0	0	110	H95 H98 T102	H95-S100 PolarHBondContact CD2-OG 2.82Å; H98-S100 PolarHBondContact O-N 2.93Å; H98-S100 PolarHBondContact O-OG 2.94Å; S100-T102 CarbonylContact O-C 3.36Å; S100-T102 PolarHBondContact O-N 3.28Å; S100-T102 PolarHBondContact OG-O 2.78Å; S100-T102 PolarHBondContact OG-OG1 3.02Å
101	S	54.8	Low	81.5	Confident	117 Å²	117	70.2 Å²	70.2	82%	0.818	37%	0.366	S	S	*	.	S	Bend	trans	-53	-25.5	-179	51.9	0	0	0	0	113.2
102	T	59.4	Low	81.7	Confident	9 Å²	9	72.8 Å²	72.8	6%	0.055	38%	0.382	C	S	.	.	S	Bend	trans	-88	97.9	166.1	51	0	0	0	0	110.5	Y67 F80 H95 S100 M104	Y67-T102 HydrophobicContact CE2-CG2 4.18Å; F80-T102 HydrophobicContact CE1-CG2 4.37Å; F80-T102 HydrophobicContact CZ-CG2 3.92Å; H95-T102 PolarHBondContact CD2-OG1 3.27Å; S100-T102 CarbonylContact O-C 3.36Å; S100-T102 PolarHBondContact O-N 3.28Å; S100-T102 PolarHBondContact OG-O 2.78Å; S100-T102 PolarHBondContact OG-OG1 3.02Å; T102-M104 PolarHBondContact O-N 3.39Å
103	R	73.7	Confident	81.9	Confident	152 Å²	152	73.4 Å²	73.4	57%	0.574	38%	0.383	S	S	*	.			trans	-71.5	62.7	179	-58.7	-173.8	-162.8	-163.7	3.4	112.5	G31 R105	G31-R103 WeakPolarHBondContact CA-O 3.44Å; R103-R105 PolarHBondContact O-N 3.44Å
104	M	86.2	Confident	82.1	Confident	4 Å²	4	65.5 Å²	65.5	2%	0.02	35%	0.353	C	S	.	.			trans	-67.6	109.1	170.4	-76.4	-157.7	-65.7	0	0	108.6	F33 L46 I48 L91 H95 T96 T102	F33-M104 HydrophobicContact CB-CG 4.12Å; F33-M104 HydrophobicContact CB-SD 4.07Å; F33-M104 HydrophobicContact CD1-CB 3.61Å; F33-M104 HydrophobicContact CD1-CG 3.75Å; F33-M104 HydrophobicContact CD1-SD 3.89Å; F33-M104 HydrophobicContact CD2-CG 4.39Å; F33-M104 HydrophobicContact CD2-SD 3.48Å; F33-M104 WeakPolarHBondContact CD2-SD 3.31Å; F33-M104 HydrophobicContact CE1-CB 3.78Å; F33-M104 HydrophobicContact CE1-CG 4.27Å; F33-M104 HydrophobicContact CE1-SD 4.19Å; F33-M104 HydrophobicContact CE2-SD 3.81Å; F33-M104 HydrophobicContact CG-CB 4.22Å; F33-M104 HydrophobicContact CG-CG 3.83Å; F33-M104 HydrophobicContact CG-SD 3.53Å; F33-M104 VanDerWaalsContact CG-SD 3.53Å; F33-M104 HydrophobicContact CZ-CB 4.5Å; F33-M104 HydrophobicContact CZ-SD 4.16Å; L46-M104 HydrophobicContact CD1-SD 3.49Å; L46-M104 WeakPolarHBondContact CD1-SD 3.37Å; L46-M104 HydrophobicContact CD2-CE 4.21Å; L46-M104 HydrophobicContact CD2-SD 3.69Å; L46-M104 HydrophobicContact CG-SD 4.21Å; I48-M104 HydrophobicContact CD1-CB 4.47Å; I48-M104 HydrophobicContact CD1-CG 3.75Å; L91-M104 HydrophobicContact CD2-CE 4.06Å; H95-M104 HydrophobicContact CB-CE 3.11Å; T96-M104 WeakPolarHBondContact CA-O 3.28Å; T102-M104 PolarHBondContact O-N 3.39Å
105	R	88.2	Confident	82.2	Confident	154 Å²	154	62.5 Å²	62.5	58%	0.581	34%	0.338	S	S	*	.			trans	-99.9	-45.5	-177.6	-69.9	-176.4	173.7	179.8	-7.1	112.1	V30 G31 R103	V30-R105 WeakPolarHBondContact O-CD 3.31Å; G31-R105 PolarHBondContact O-N 2.86Å; R103-R105 PolarHBondContact O-N 3.44Å
106	Q	91.3	Very high	82.2	Confident	76 Å²	76	62.3 Å²	62.3	36%	0.355	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	149	-174.5	64.6	-173.4	5.6	0	0	112	T32 F33	T32-Q106 CarbonylContact C-O 3.42Å; T32-Q106 VanDerWaalsContact CA-O 3.29Å; T32-Q106 WeakPolarHBondContact CA-O 3.5Å; T32-Q106 HydrophobicContact CG2-CG 4.27Å; T32-Q106 PolarHBondContact OG1-NE2 2.94Å; F33-Q106 WeakPolarHBondContact CD1-O 3.39Å; F33-Q106 WeakPolarHBondContact CE1-O 3.48Å; F33-Q106 PolarHBondContact N-O 2.82Å
107	P	94.5	Very high	82.1	Confident	50 Å²	50	60.1 Å²	60.1	33%	0.325	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	149.4	170.2	28.8	-34.7	0	0	0	110.9	P10 W11 F33	P10-P107 HydrophobicContact CB-CB 4.4Å; P10-P107 HydrophobicContact CB-CG 4.3Å; W11-P107 HydrophobicContact CB-CB 3.98Å; F33-P107 CarbonylContact O-C 3.58Å; F33-P107 WeakPolarHBondContact O-CA 3.48Å
108	A	94.4	Very high	82.5	Confident	3 Å²	3	59 Å²	59	3%	0.025	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-63.1	141.4	173.3	0	0	0	0	0	111.1	F13 I24 L25 T32 F33 L34	F13-A108 HydrophobicContact CE2-CB 4.11Å; F13-A108 HydrophobicContact CZ-CB 3.82Å; I24-A108 HydrophobicContact CG2-CB 3.82Å; L25-A108 HydrophobicContact CD2-CB 4.12Å; T32-A108 VanDerWaalsContact CG2-CA 3.43Å; T32-A108 HydrophobicContact CG2-CB 3.86Å; F33-A108 PolarHBondContact O-N 2.85Å; L34-A108 HydrophobicContact CB-CB 4.08Å; L34-A108 HydrophobicContact CD2-CB 4.08Å
109	Q	92.8	Very high	83.8	Confident	135 Å²	135	54 Å²	54	63%	0.631	29%	0.291	S	S	*	.	P	Polyproline II helix	trans	-64.2	137.9	177.4	-65.4	-177	-0.8	0	0	110.6
110	K	93.8	Very high	85.5	Confident	49 Å²	49	55.3 Å²	55.3	21%	0.213	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-76.2	132.1	174.1	-62.5	-65.5	177.9	178.6	0	109.2	P10 Y12 F13 T136 F137 I138	P10-K110 WeakPolarHBondContact O-CE 3.31Å; P10-K110 PolarHBondContact O-NZ 2.82Å; Y12-K110 PolarHBondContact O-NZ 3.41Å; F13-K110 HydrophobicContact CE1-CD 4.05Å; F13-K110 HydrophobicContact CE2-CD 4.15Å; F13-K110 HydrophobicContact CZ-CD 3.72Å; K110-T136 HydrophobicContact CB-CG2 4.16Å; K110-F137 VanDerWaalsContact CB-O 3.3Å; K110-F137 WeakPolarHBondContact CB-O 3.32Å; K110-F137 HydrophobicContact CD-CD1 3.92Å; K110-F137 WeakPolarHBondContact CD-O 3.43Å; K110-F137 WeakPolarHBondContact CG-O 3.3Å; K110-I138 PolarHBondContact NZ-O 2.83Å
111	A	92.5	Very high	87.2	Confident	43 Å²	43	55.5 Å²	55.5	36%	0.355	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-72.3	146.1	177.7	0	0	0	0	0	111.1	Y113 F137	A111-Y113 HydrophobicContact CB-CD2 4.4Å; A111-Y113 HydrophobicContact CB-CE2 3.83Å; A111-F137 VanDerWaalsContact O-CB 3.26Å; A111-F137 WeakPolarHBondContact O-CB 3.38Å; A111-F137 PolarHBondContact O-N 3.07Å
112	T	94.9	Very high	88.9	Confident	53 Å²	53	56 Å²	56	33%	0.325	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	136.5	164.8	-57.8	0	0	0	0	108.5	L134 F165	T112-L134 HydrophobicContact CG2-CB 4.08Å; T112-L134 HydrophobicContact CG2-CD2 4.47Å; T112-F165 HydrophobicContact CG2-CB 4.06Å; T112-F165 HydrophobicContact CG2-CG 4.38Å; T112-F165 WeakPolarHBondContact O-CB 3.45Å; T112-F165 PolarHBondContact O-N 2.95Å
113	Y	94.5	Very high	90.4	Very high	24 Å²	24	62.1 Å²	62.1	9%	0.094	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	147.8	175.7	-74.3	-92.3	0	0	0	109.8	A111 L134 L135 F137 L162 T163 P164	A111-Y113 HydrophobicContact CB-CD2 4.4Å; A111-Y113 HydrophobicContact CB-CE2 3.83Å; Y113-L134 WeakPolarHBondContact O-CA 3.26Å; Y113-L135 PolarHBondContact N-O 2.49Å; Y113-L135 PolarHBondContact O-N 3.31Å; Y113-F137 HydrophobicContact CD2-CB 4.06Å; Y113-F137 HydrophobicContact CE2-CB 3.81Å; Y113-F137 AromaticContact CE2-CD2 3.93Å; Y113-F137 HydrophobicContact CE2-CD2 3.93Å; Y113-F137 HydrophobicContact CE2-CG 4.22Å; Y113-L162 HydrophobicContact CD1-CB 3.75Å; Y113-L162 HydrophobicContact CD1-CD1 4.36Å; Y113-L162 HydrophobicContact CG-CB 4.11Å; Y113-L162 HydrophobicContact CG-CD1 4.04Å; Y113-T163 CarbonylContact C-O 3.51Å; Y113-T163 VanDerWaalsContact CA-O 3.27Å; Y113-T163 WeakPolarHBondContact CA-O 3.26Å; Y113-T163 WeakPolarHBondContact CD1-O 3.14Å; Y113-P164 HydrophobicContact CE1-CG 4.02Å
114	A	92.6	Very high	91.2	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	136.8	168.1	0	0	0	0	0	109.8	L116 D133 L134 T163 I169 V170 L173	A114-L116 PolarHBondContact O-N 3.43Å; A114-D133 WeakPolarHBondContact CA-O 3.27Å; A114-L134 HydrophobicContact CB-CD2 4.02Å; A114-T163 HydrophobicContact CB-CG2 4.14Å; A114-T163 PolarHBondContact N-O 3Å; A114-T163 PolarHBondContact O-N 3.18Å; A114-I169 HydrophobicContact CB-CG2 4.28Å; A114-V170 HydrophobicContact CB-CG2 3.97Å; A114-L173 HydrophobicContact CB-CD1 3.88Å
115	A	91	Very high	91.5	Very high	0 Å²	0	66.5 Å²	66.5	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	117.4	175.4	0	0	0	0	0	110.8	F129 Q130 G132 D133	A115-F129 HydrophobicContact CB-CD2 3.39Å; A115-F129 HydrophobicContact CB-CE2 3.6Å; A115-F129 HydrophobicContact CB-CG 4.46Å; A115-Q130 VanDerWaalsContact CB-O 3.28Å; A115-Q130 WeakPolarHBondContact CB-O 3.4Å; A115-G132 PolarHBondContact O-N 2.93Å; A115-D133 HydrophobicContact CB-CB 4.3Å; A115-D133 PolarHBondContact N-O 2.81Å
116	L	85.6	Confident	91.9	Very high	14 Å²	14	60.4 Å²	60.4	7%	0.073	32%	0.32	C	S	.	.	S	Bend	trans	-72.8	-31.3	175.8	-68.2	173.4	0	0	0	112.2	A114 R131 Y161 T163 L173	A114-L116 PolarHBondContact O-N 3.43Å; L116-R131 WeakPolarHBondContact O-CG 3.47Å; L116-Y161 WeakPolarHBondContact CB-O 3.31Å; L116-Y161 PolarHBondContact N-O 2.88Å; L116-T163 HydrophobicContact CD1-CG2 4.47Å; L116-T163 HydrophobicContact CD2-CG2 3.54Å; L116-T163 HydrophobicContact CG-CG2 3.88Å; L116-L173 HydrophobicContact CD2-CD2 4.49Å
117	Y	85.8	Confident	92	Very high	13 Å²	13	57 Å²	57	5%	0.051	31%	0.305	C	S	.	.	S	Bend	trans	-136.4	168	-178.6	-43.1	-70	0	0	0	109.7	F129 Y161 F231 P246 N248	Y117-F129 WeakPolarHBondContact O-CD2 3.27Å; Y117-F129 WeakPolarHBondContact O-CE2 3.32Å; Y117-Y161 HydrophobicContact CD2-CD1 4.05Å; Y117-Y161 HydrophobicContact CD2-CE1 4.38Å; Y117-Y161 HydrophobicContact CD2-CG 4.14Å; Y117-Y161 HydrophobicContact CG-CD1 4.45Å; Y117-F231 AromaticContact CD1-CE2 3.64Å; Y117-F231 HydrophobicContact CD1-CE2 3.64Å; Y117-F231 AromaticContact CD1-CZ 3.88Å; Y117-F231 HydrophobicContact CD1-CZ 3.88Å; Y117-F231 HydrophobicContact CD2-CZ 4.28Å; Y117-F231 AromaticContact CE1-CE2 3.99Å; Y117-F231 HydrophobicContact CE1-CE2 3.99Å; Y117-F231 AromaticContact CE1-CZ 3.96Å; Y117-F231 HydrophobicContact CE1-CZ 3.96Å; Y117-F231 HydrophobicContact CE2-CZ 4.35Å; Y117-F231 HydrophobicContact CG-CE2 4.11Å; Y117-F231 HydrophobicContact CG-CZ 4.09Å; Y117-P246 HydrophobicContact CE1-CB 3.78Å; Y117-P246 HydrophobicContact CE1-CG 4.45Å; Y117-P246 HydrophobicContact CE2-CB 4.45Å; Y117-P246 HydrophobicContact CE2-CG 4.33Å; Y117-P246 VanDerWaalsContact CZ-CB 3.43Å; Y117-P246 WeakPolarHBondContact OH-CB 2.92Å; Y117-P246 VanDerWaalsContact OH-CG 3.23Å; Y117-P246 WeakPolarHBondContact OH-CG 3.32Å; Y117-N248 PolarHBondContact OH-OD1 3.46Å
118	S	88.6	Confident	92	Very high	56 Å²	56	56.6 Å²	56.6	39%	0.392	30%	0.303	S	S	.	.			trans	-80.6	146.8	166.2	-56.5	0	0	0	0	110.1	F129 Q130 R131 Y161	S118-F129 CarbonylContact C-O 3.52Å; S118-F129 VanDerWaalsContact CA-O 3.31Å; S118-F129 WeakPolarHBondContact CA-O 3.45Å; S118-Q130 WeakPolarHBondContact OG-CA 3.39Å; S118-Q130 PolarHBondContact OG-OE1 3.11Å; S118-R131 PolarHBondContact OG-N 3.49Å; S118-Y161 WeakPolarHBondContact O-CE1 3.5Å
119	F	90	Very high	92	Very high	18 Å²	18	56.7 Å²	56.7	8%	0.079	30%	0.303	C	S	.	.	B	Isolated β-bridge	trans	-135.3	133.3	175.9	176.6	-107.5	0	0	0	109.1	D126 L127 S128 F129 W144 P158 Y161	F119-D126 HydrophobicContact CE1-CB 4.29Å; F119-L127 WeakPolarHBondContact CD1-O 3.27Å; F119-S128 CarbonylContact O-C 3.55Å; F119-S128 VanDerWaalsContact O-CA 3.27Å; F119-S128 WeakPolarHBondContact O-CA 3.47Å; F119-F129 HydrophobicContact CB-CD1 3.95Å; F119-F129 HydrophobicContact CB-CD2 4.29Å; F119-F129 HydrophobicContact CB-CE1 3.38Å; F119-F129 HydrophobicContact CB-CE2 3.8Å; F119-F129 HydrophobicContact CB-CG 4.37Å; F119-F129 HydrophobicContact CB-CZ 3.31Å; F119-F129 HydrophobicContact CD1-CD1 4.21Å; F119-F129 AromaticContact CD1-CE1 3.65Å; F119-F129 HydrophobicContact CD1-CE1 3.65Å; F119-F129 HydrophobicContact CD1-CZ 4.34Å; F119-F129 AromaticContact CG-CE1 3.85Å; F119-F129 HydrophobicContact CG-CE1 3.85Å; F119-F129 HydrophobicContact CG-CZ 4.09Å; F119-F129 PolarHBondContact N-O 3.01Å; F119-F129 PolarHBondContact O-N 3.22Å; F119-W144 HydrophobicContact CE1-CZ3 4.49Å; F119-W144 HydrophobicContact CZ-CH2 4.06Å; F119-W144 HydrophobicContact CZ-CZ3 4.12Å; F119-P158 HydrophobicContact CD2-CG 3.99Å; F119-P158 HydrophobicContact CE2-CG 4.05Å; F119-P158 HydrophobicContact CG-CG 4.32Å; F119-P158 HydrophobicContact CZ-CG 4.42Å; F119-Y161 HydrophobicContact CB-CD1 3.9Å; F119-Y161 HydrophobicContact CB-CE1 4.06Å; F119-Y161 HydrophobicContact CD2-CD1 4.48Å; F119-Y161 HydrophobicContact CD2-CE1 4.13Å
120	Q	93.3	Very high	91.9	Very high	160 Å²	160	55.7 Å²	55.7	75%	0.748	30%	0.298	S	S	*	.			trans	-104.8	126.6	174	-175	172.7	-3.2	0	0	108.1	Q122	Q120-Q122 PolarHBondContact O-N 2.88Å
121	A	93.4	Very high	91.6	Very high	36 Å²	36	58 Å²	58	30%	0.298	31%	0.305	S	S	.	.			trans	-53.5	132.6	178.4	0	0	0	0	0	110.7	D126 S128	A121-D126 HydrophobicContact CB-CB 3.55Å; A121-S128 VanDerWaalsContact CB-OG 3.24Å; A121-S128 WeakPolarHBondContact CB-OG 3.37Å; A121-S128 PolarHBondContact N-OG 3.1Å
122	Q	90.3	Very high	91.4	Very high	128 Å²	128	56.3 Å²	56.3	60%	0.598	29%	0.292	S	S	*	.			trans	-107.8	-35.2	-178.1	-62.9	-175.4	-23	0	0	111.1	Q120 D126	Q120-Q122 PolarHBondContact O-N 2.88Å; Q122-D126 PolarHBondContact N-OD2 3.33Å
123	E	92.1	Very high	91.3	Very high	136 Å²	136	57 Å²	57	64%	0.636	29%	0.294	S	S	*	.	S	Bend	trans	-115.3	160.3	179.2	-62.9	-174.6	-179.2	0	0	112.2	G125 D126	E123-G125 PolarHBondContact O-N 2.82Å; E123-D126 PolarHBondContact N-OD2 3.24Å; E123-D126 WeakPolarHBondContact O-CB 3.32Å; E123-D126 PolarHBondContact O-N 2.89Å; E123-D126 VanDerWaalsContact O-N 3.12Å
124	E	90.2	Very high	91.4	Very high	208 Å²	208	59 Å²	59	97%	0.972	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	120	170.8	-171.3	179.3	178.1	0	0	109.6
125	G	92.4	Very high	91.5	Very high	41 Å²	41	59 Å²	59	42%	0.423	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	103.4	-5.9	-175.2	0	0	0	0	0	114.4	E123 G155 W156	E123-G125 PolarHBondContact O-N 2.82Å; G125-G155 CarbonylContact O-C 3.56Å; G125-G155 WeakPolarHBondContact O-CA 3.29Å; G125-W156 PolarHBondContact O-N 2.82Å
126	D	95	Very high	91.8	Very high	25 Å²	25	61.8 Å²	61.8	13%	0.134	32%	0.323	C	S	.	.	B	Isolated β-bridge	trans	-75	151	168	-74.1	-13.7	0	0	0	111.6	F119 A121 Q122 E123 W156	F119-D126 HydrophobicContact CE1-CB 4.29Å; A121-D126 HydrophobicContact CB-CB 3.55Å; Q122-D126 PolarHBondContact N-OD2 3.33Å; E123-D126 PolarHBondContact N-OD2 3.24Å; E123-D126 WeakPolarHBondContact O-CB 3.32Å; E123-D126 PolarHBondContact O-N 2.89Å; E123-D126 VanDerWaalsContact O-N 3.12Å; D126-W156 WeakPolarHBondContact CA-O 3.48Å
127	L	94.5	Very high	92.3	Very high	5 Å²	5	61.4 Å²	61.4	3%	0.026	32%	0.321	C	S	.	.			trans	-107	120.4	175.7	-179.8	64.5	0	0	0	110.6	F119 F129 L135 C147 R153 W156 V157	F119-L127 WeakPolarHBondContact CD1-O 3.27Å; L127-F129 WeakPolarHBondContact O-CD1 3.36Å; L127-L135 HydrophobicContact CD2-CD2 3.98Å; L127-C147 HydrophobicContact CD2-CB 4.37Å; L127-R153 HydrophobicContact CD1-CB 3.68Å; L127-W156 PolarHBondContact N-O 2.69Å; L127-V157 HydrophobicContact CB-CG1 3.77Å; L127-V157 HydrophobicContact CD2-CG1 4.3Å; L127-V157 HydrophobicContact CG-CG1 4.38Å
128	S	95	Very high	92.7	Very high	41 Å²	41	61.6 Å²	61.6	29%	0.287	32%	0.323	S	S	.	.			trans	-77.7	140	170.4	-58.8	0	0	0	0	111.1	F119 A121	F119-S128 CarbonylContact O-C 3.55Å; F119-S128 VanDerWaalsContact O-CA 3.27Å; F119-S128 WeakPolarHBondContact O-CA 3.47Å; A121-S128 VanDerWaalsContact CB-OG 3.24Å; A121-S128 WeakPolarHBondContact CB-OG 3.37Å; A121-S128 PolarHBondContact N-OG 3.1Å
129	F	93.8	Very high	93	Very high	5 Å²	5	61.6 Å²	61.6	2%	0.022	31%	0.314	C	S	.	.	B	Isolated β-bridge	trans	-150.6	162	178.1	57.7	-92.2	0	0	0	111.6	A115 Y117 S118 F119 L127 D133 L135 V157 Y161 L162	A115-F129 HydrophobicContact CB-CD2 3.39Å; A115-F129 HydrophobicContact CB-CE2 3.6Å; A115-F129 HydrophobicContact CB-CG 4.46Å; Y117-F129 WeakPolarHBondContact O-CD2 3.27Å; Y117-F129 WeakPolarHBondContact O-CE2 3.32Å; S118-F129 CarbonylContact C-O 3.52Å; S118-F129 VanDerWaalsContact CA-O 3.31Å; S118-F129 WeakPolarHBondContact CA-O 3.45Å; F119-F129 HydrophobicContact CB-CD1 3.95Å; F119-F129 HydrophobicContact CB-CD2 4.29Å; F119-F129 HydrophobicContact CB-CE1 3.38Å; F119-F129 HydrophobicContact CB-CE2 3.8Å; F119-F129 HydrophobicContact CB-CG 4.37Å; F119-F129 HydrophobicContact CB-CZ 3.31Å; F119-F129 HydrophobicContact CD1-CD1 4.21Å; F119-F129 AromaticContact CD1-CE1 3.65Å; F119-F129 HydrophobicContact CD1-CE1 3.65Å; F119-F129 HydrophobicContact CD1-CZ 4.34Å; F119-F129 AromaticContact CG-CE1 3.85Å; F119-F129 HydrophobicContact CG-CE1 3.85Å; F119-F129 HydrophobicContact CG-CZ 4.09Å; F119-F129 PolarHBondContact N-O 3.01Å; F119-F129 PolarHBondContact O-N 3.22Å; L127-F129 WeakPolarHBondContact O-CD1 3.36Å; F129-D133 HydrophobicContact CB-CB 4.31Å; F129-L135 HydrophobicContact CB-CD1 4.36Å; F129-L135 HydrophobicContact CB-CD2 4.39Å; F129-L135 HydrophobicContact CD1-CD1 3.85Å; F129-L135 HydrophobicContact CD2-CD1 4.36Å; F129-L135 HydrophobicContact CE1-CD1 4.19Å; F129-L135 HydrophobicContact CG-CD1 3.94Å; F129-V157 HydrophobicContact CD1-CB 4.45Å; F129-V157 HydrophobicContact CD1-CG1 3.72Å; F129-V157 HydrophobicContact CE1-CB 3.68Å; F129-V157 HydrophobicContact CE1-CG1 3.42Å; F129-V157 VanDerWaalsContact CE1-CG1 3.42Å; F129-V157 HydrophobicContact CZ-CB 4.43Å; F129-Y161 HydrophobicContact CE2-CD1 4.27Å; F129-Y161 HydrophobicContact CZ-CD1 4.06Å; F129-Y161 HydrophobicContact CZ-CG 4.28Å; F129-L162 HydrophobicContact CE2-CD2 4.44Å; F129-L162 HydrophobicContact CZ-CD2 4.24Å
130	Q	91.6	Very high	93.2	Very high	115 Å²	115	62.9 Å²	62.9	54%	0.537	32%	0.32	S	S	.	.			trans	-104.2	155.7	176.4	-61.4	-58.8	-35.7	0	0	111.7	A115 S118 G132 D133	A115-Q130 VanDerWaalsContact CB-O 3.28Å; A115-Q130 WeakPolarHBondContact CB-O 3.4Å; S118-Q130 WeakPolarHBondContact OG-CA 3.39Å; S118-Q130 PolarHBondContact OG-OE1 3.11Å; Q130-G132 PolarHBondContact O-N 2.83Å; Q130-D133 PolarHBondContact N-OD2 3.41Å; Q130-D133 VanDerWaalsContact O-CB 3.22Å; Q130-D133 WeakPolarHBondContact O-CB 3.37Å; Q130-D133 VanDerWaalsContact O-CG 3.31Å; Q130-D133 PolarHBondContact O-N 3.2Å
131	R	86.4	Confident	93.2	Very high	96 Å²	96	60.7 Å²	60.7	36%	0.362	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	129.5	170.5	173	173.9	167.4	172.6	-3.3	110.5	L116 S118 D133 L173	L116-R131 WeakPolarHBondContact O-CG 3.47Å; S118-R131 PolarHBondContact OG-N 3.49Å; R131-D133 VanDerWaalsContact C-N 3.34Å; R131-L173 HydrophobicContact CG-CD2 4.29Å
132	G	89.1	Confident	93.1	Very high	8 Å²	8	67.8 Å²	67.8	8%	0.082	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	89.2	-7.6	-178.6	0	0	0	0	0	114.8	A115 Q130	A115-G132 PolarHBondContact O-N 2.93Å; Q130-G132 PolarHBondContact O-N 2.83Å
133	D	92.9	Very high	93.1	Very high	67 Å²	67	67.5 Å²	67.5	36%	0.358	33%	0.326	S	S	.	.			trans	-62.4	148.9	173.4	-75.5	-8.8	0	0	0	111.2	A114 A115 F129 Q130 R131	A114-D133 WeakPolarHBondContact CA-O 3.27Å; A115-D133 HydrophobicContact CB-CB 4.3Å; A115-D133 PolarHBondContact N-O 2.81Å; F129-D133 HydrophobicContact CB-CB 4.31Å; Q130-D133 PolarHBondContact N-OD2 3.41Å; Q130-D133 VanDerWaalsContact O-CB 3.22Å; Q130-D133 WeakPolarHBondContact O-CB 3.37Å; Q130-D133 VanDerWaalsContact O-CG 3.31Å; Q130-D133 PolarHBondContact O-N 3.2Å; R131-D133 VanDerWaalsContact C-N 3.34Å
134	L	95.2	Very high	93.2	Very high	66 Å²	66	63.9 Å²	63.9	35%	0.346	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	129.3	174.8	-59.9	-175.2	0	0	0	110	T112 Y113 A114 F165 V170	T112-L134 HydrophobicContact CG2-CB 4.08Å; T112-L134 HydrophobicContact CG2-CD2 4.47Å; Y113-L134 WeakPolarHBondContact O-CA 3.26Å; A114-L134 HydrophobicContact CB-CD2 4.02Å; L134-F165 HydrophobicContact CD1-CD2 4.29Å; L134-F165 HydrophobicContact CD1-CE2 4.17Å; L134-F165 HydrophobicContact CD2-CD2 3.67Å; L134-F165 HydrophobicContact CD2-CE2 4.21Å; L134-V170 HydrophobicContact CD2-CG2 3.83Å
135	L	96.2	Very high	93.4	Very high	1 Å²	1	54.2 Å²	54.2	1%	0.005	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	126.9	-177.6	-60.7	-179.6	0	0	0	109.5	Y113 L127 F129 C147 K148 V157 L162	Y113-L135 PolarHBondContact N-O 2.49Å; Y113-L135 PolarHBondContact O-N 3.31Å; L127-L135 HydrophobicContact CD2-CD2 3.98Å; F129-L135 HydrophobicContact CB-CD1 4.36Å; F129-L135 HydrophobicContact CB-CD2 4.39Å; F129-L135 HydrophobicContact CD1-CD1 3.85Å; F129-L135 HydrophobicContact CD2-CD1 4.36Å; F129-L135 HydrophobicContact CE1-CD1 4.19Å; F129-L135 HydrophobicContact CG-CD1 3.94Å; L135-C147 HydrophobicContact CB-CB 4.03Å; L135-C147 HydrophobicContact CD1-CB 4.47Å; L135-K148 WeakPolarHBondContact CA-O 3.13Å; L135-V157 HydrophobicContact CD1-CG1 4.26Å; L135-V157 HydrophobicContact CD1-CG2 4.44Å; L135-L162 HydrophobicContact CD1-CD2 3.73Å
136	T	96.1	Very high	93.6	Very high	58 Å²	58	52.9 Å²	52.9	36%	0.356	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	124.6	175.8	-57.3	0	0	0	0	109.7	K110 C147 K148	K110-T136 HydrophobicContact CB-CG2 4.16Å; T136-C147 CarbonylContact O-C 3.57Å; T136-C147 VanDerWaalsContact O-CA 3.27Å; T136-C147 WeakPolarHBondContact O-CA 3.17Å; T136-K148 PolarHBondContact N-O 3.31Å; T136-K148 PolarHBondContact O-N 3Å
137	F	96	Very high	93.6	Very high	6 Å²	6	51.7 Å²	51.7	3%	0.026	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	136.6	175.9	177.8	-86.5	0	0	0	111.4	F13 I16 K110 A111 Y113 Q140 I145	F13-F137 HydrophobicContact CB-CE1 4.32Å; F13-F137 HydrophobicContact CD1-CD1 4.19Å; F13-F137 AromaticContact CD1-CE1 3.45Å; F13-F137 HydrophobicContact CD1-CE1 3.45Å; F13-F137 VanDerWaalsContact CD1-CE1 3.45Å; F13-F137 HydrophobicContact CD1-CZ 4.2Å; F13-F137 HydrophobicContact CE1-CD1 4.29Å; F13-F137 AromaticContact CE1-CE1 3.99Å; F13-F137 HydrophobicContact CE1-CE1 3.99Å; F13-F137 HydrophobicContact CG-CE1 4.08Å; I16-F137 HydrophobicContact CG2-CZ 3.97Å; K110-F137 VanDerWaalsContact CB-O 3.3Å; K110-F137 WeakPolarHBondContact CB-O 3.32Å; K110-F137 HydrophobicContact CD-CD1 3.92Å; K110-F137 WeakPolarHBondContact CD-O 3.43Å; K110-F137 WeakPolarHBondContact CG-O 3.3Å; A111-F137 VanDerWaalsContact O-CB 3.26Å; A111-F137 WeakPolarHBondContact O-CB 3.38Å; A111-F137 PolarHBondContact O-N 3.07Å; Y113-F137 HydrophobicContact CD2-CB 4.06Å; Y113-F137 HydrophobicContact CE2-CB 3.81Å; Y113-F137 AromaticContact CE2-CD2 3.93Å; Y113-F137 HydrophobicContact CE2-CD2 3.93Å; Y113-F137 HydrophobicContact CE2-CG 4.22Å; F137-Q140 HydrophobicContact CE2-CB 4.05Å; F137-Q140 HydrophobicContact CZ-CB 4.1Å; F137-I145 HydrophobicContact CD2-CD1 4.49Å; F137-I145 HydrophobicContact CD2-CG2 3.34Å; F137-I145 HydrophobicContact CE2-CG1 4.49Å; F137-I145 HydrophobicContact CE2-CG2 3.66Å; F137-I145 HydrophobicContact CG-CG2 4.31Å
138	I	95.1	Very high	93.7	Very high	17 Å²	17	54.9 Å²	54.9	9%	0.087	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	-62.1	168.9	-61.2	172.5	0	0	0	109.3	K110 L146 K148 I154	K110-I138 PolarHBondContact NZ-O 2.83Å; I138-L146 WeakPolarHBondContact CA-O 3.45Å; I138-L146 HydrophobicContact CB-CB 4.34Å; I138-L146 HydrophobicContact CB-CD2 4.28Å; I138-L146 HydrophobicContact CB-CG 4.32Å; I138-L146 WeakPolarHBondContact CB-O 3.33Å; I138-L146 HydrophobicContact CD1-CD2 4.33Å; I138-L146 HydrophobicContact CD1-CG 4.25Å; I138-L146 HydrophobicContact CG2-CD2 4.04Å; I138-L146 PolarHBondContact N-O 2.64Å; I138-K148 HydrophobicContact CD1-CB 4.11Å; I138-I154 HydrophobicContact CD1-CD1 4.01Å; I138-I154 HydrophobicContact CD1-CG1 4.04Å; I138-I154 HydrophobicContact CD1-CG2 3.8Å
139	R	94.8	Very high	93.7	Very high	56 Å²	56	53.6 Å²	53.6	21%	0.211	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	161.6	-179.2	62.1	179.2	-178.1	-174.3	-1	111.7	Y12 L146 W156	Y12-R139 HydrophobicContact CD1-CB 4.46Å; Y12-R139 HydrophobicContact CE1-CB 4.5Å; R139-L146 HydrophobicContact CG-CB 3.76Å; R139-L146 HydrophobicContact CG-CD2 3.98Å; R139-L146 PolarHBondContact N-O 2.8Å; R139-L146 PolarHBondContact O-N 2.85Å; R139-W156 HydrophobicContact CG-CH2 4.3Å
140	Q	94.4	Very high	93.5	Very high	46 Å²	46	57 Å²	57	22%	0.215	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	146.9	176.6	-172.4	170.6	-20.6	0	0	111.8	F13 G14 E15 I16 F137 R142 I145	F13-Q140 PolarHBondContact O-N 2.85Å; G14-Q140 CarbonylContact C-O 3.53Å; G14-Q140 WeakPolarHBondContact CA-O 3.48Å; E15-Q140 PolarHBondContact N-O 3.06Å; I16-Q140 HydrophobicContact CG2-CB 3.82Å; F137-Q140 HydrophobicContact CE2-CB 4.05Å; F137-Q140 HydrophobicContact CZ-CB 4.1Å; Q140-R142 WeakPolarHBondContact CG-O 3.32Å; Q140-R142 PolarHBondContact NE2-O 2.79Å; Q140-I145 HydrophobicContact CG-CG1 4.23Å
141	K	93.2	Very high	93.5	Very high	114 Å²	114	55.5 Å²	55.5	50%	0.496	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	107.2	168.5	-175	179.8	-178.7	-176.7	0	108.1	E143 W144 W156	K141-E143 PolarHBondContact O-N 2.78Å; K141-W144 PolarHBondContact N-O 3.43Å; K141-W144 PolarHBondContact O-N 3.38Å; K141-W156 HydrophobicContact CB-CH2 3.56Å; K141-W156 HydrophobicContact CB-CZ3 3.67Å; K141-W156 HydrophobicContact CD-CH2 4.36Å
142	R	90.9	Very high	93.8	Very high	185 Å²	185	56 Å²	56	70%	0.698	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.2	-124	-171.1	-53.3	179.4	179.3	176.7	-3.6	112.1	E15 Q140 W144	E15-R142 WeakPolarHBondContact OE2-CG 3.32Å; E15-R142 PolarHBondContact OE2-N 2.83Å; Q140-R142 WeakPolarHBondContact CG-O 3.32Å; Q140-R142 PolarHBondContact NE2-O 2.79Å; R142-W144 VanDerWaalsContact C-N 3.27Å; R142-W144 PolarHBondContact O-N 3.49Å
143	E	90.8	Very high	94	Very high	122 Å²	122	62.3 Å²	62.3	57%	0.57	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	3.6	179.4	-57.4	-51.5	129.8	0	0	113.9	K141 S159	K141-E143 PolarHBondContact O-N 2.78Å; E143-S159 VanDerWaalsContact O-CB 3.22Å; E143-S159 WeakPolarHBondContact O-CB 3.39Å; E143-S159 PolarHBondContact O-N 2.87Å; E143-S159 PolarHBondContact O-OG 2.94Å; E143-S159 VanDerWaalsContact O-OG 3.1Å
144	W	94.1	Very high	94.1	Very high	59 Å²	59	62.8 Å²	62.8	22%	0.223	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	141.4	-179.1	-68.8	85.1	0	0	0	111	F119 K141 R142 W156 V157 P158 F208	F119-W144 HydrophobicContact CE1-CZ3 4.49Å; F119-W144 HydrophobicContact CZ-CH2 4.06Å; F119-W144 HydrophobicContact CZ-CZ3 4.12Å; K141-W144 PolarHBondContact N-O 3.43Å; K141-W144 PolarHBondContact O-N 3.38Å; R142-W144 VanDerWaalsContact C-N 3.27Å; R142-W144 PolarHBondContact O-N 3.49Å; W144-W156 HydrophobicContact CB-CE3 3.79Å; W144-W156 HydrophobicContact CB-CZ3 4.34Å; W144-W156 HydrophobicContact CE3-CB 3.93Å; W144-W156 HydrophobicContact CZ3-CB 4.46Å; W144-V157 WeakPolarHBondContact CA-O 3.47Å; W144-P158 HydrophobicContact CZ3-CB 4.48Å; W144-F208 HydrophobicContact CZ2-CD2 4.27Å; W144-F208 HydrophobicContact CZ2-CE2 4.09Å
145	I	94.8	Very high	94.1	Very high	6 Å²	6	59.7 Å²	59.7	3%	0.031	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	128.9	178.8	-59.2	177.3	0	0	0	107.5	F137 Q140 C147 W156 V157 L162	F137-I145 HydrophobicContact CD2-CD1 4.49Å; F137-I145 HydrophobicContact CD2-CG2 3.34Å; F137-I145 HydrophobicContact CE2-CG1 4.49Å; F137-I145 HydrophobicContact CE2-CG2 3.66Å; F137-I145 HydrophobicContact CG-CG2 4.31Å; Q140-I145 HydrophobicContact CG-CG1 4.23Å; I145-C147 WeakPolarHBondContact CG2-SG 2.88Å; I145-W156 VanDerWaalsContact C-CE3 3.43Å; I145-W156 CarbonylContact O-C 3.52Å; I145-W156 WeakPolarHBondContact O-CA 3.25Å; I145-V157 HydrophobicContact CB-CG2 4.22Å; I145-V157 PolarHBondContact N-O 3.47Å; I145-V157 VanDerWaalsContact O-CG2 3.31Å; I145-V157 WeakPolarHBondContact O-CG2 3.03Å; I145-V157 PolarHBondContact O-N 3.17Å; I145-L162 HydrophobicContact CD1-CD1 4.11Å
146	L	95.7	Very high	94.1	Very high	12 Å²	12	62.4 Å²	62.4	6%	0.063	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	120.5	167.4	-170.7	71.6	0	0	0	107.2	I138 R139 I154 W156	I138-L146 WeakPolarHBondContact CA-O 3.45Å; I138-L146 HydrophobicContact CB-CB 4.34Å; I138-L146 HydrophobicContact CB-CD2 4.28Å; I138-L146 HydrophobicContact CB-CG 4.32Å; I138-L146 WeakPolarHBondContact CB-O 3.33Å; I138-L146 HydrophobicContact CD1-CD2 4.33Å; I138-L146 HydrophobicContact CD1-CG 4.25Å; I138-L146 HydrophobicContact CG2-CD2 4.04Å; I138-L146 PolarHBondContact N-O 2.64Å; R139-L146 HydrophobicContact CG-CB 3.76Å; R139-L146 HydrophobicContact CG-CD2 3.98Å; R139-L146 PolarHBondContact N-O 2.8Å; R139-L146 PolarHBondContact O-N 2.85Å; L146-I154 HydrophobicContact CD1-CG2 3.8Å; L146-I154 HydrophobicContact CD2-CG2 4.17Å; L146-I154 HydrophobicContact CG-CG2 3.91Å; L146-W156 HydrophobicContact CB-CD2 4.14Å; L146-W156 HydrophobicContact CB-CE3 3.91Å; L146-W156 HydrophobicContact CB-CH2 3.98Å; L146-W156 HydrophobicContact CB-CZ2 4.21Å; L146-W156 HydrophobicContact CB-CZ3 3.83Å; L146-W156 HydrophobicContact CD1-CD2 3.97Å; L146-W156 HydrophobicContact CD1-CG 4.11Å; L146-W156 HydrophobicContact CD1-CZ2 4.37Å; L146-W156 VanDerWaalsContact N-CE3 3.27Å
147	C	95.7	Very high	94.1	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	157.9	-176.9	-79.5	0	0	0	0	111.2	L127 L135 T136 I145 I154 G155 V157	L127-C147 HydrophobicContact CD2-CB 4.37Å; L135-C147 HydrophobicContact CB-CB 4.03Å; L135-C147 HydrophobicContact CD1-CB 4.47Å; T136-C147 CarbonylContact O-C 3.57Å; T136-C147 VanDerWaalsContact O-CA 3.27Å; T136-C147 WeakPolarHBondContact O-CA 3.17Å; I145-C147 WeakPolarHBondContact CG2-SG 2.88Å; C147-I154 WeakPolarHBondContact O-CA 3.33Å; C147-G155 PolarHBondContact N-O 3Å; C147-G155 PolarHBondContact O-N 2.89Å; C147-G155 VanDerWaalsContact O-N 3.07Å; C147-V157 HydrophobicContact CB-CG2 3.97Å; C147-V157 VanDerWaalsContact SG-CG2 3.58Å
148	K	95.4	Very high	94	Very high	73 Å²	73	59.5 Å²	59.5	32%	0.317	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	127.9	167.8	-172.5	176.4	177.7	-174.3	0	109.9	L135 T136 I138 N152 R153 I154	L135-K148 WeakPolarHBondContact CA-O 3.13Å; T136-K148 PolarHBondContact N-O 3.31Å; T136-K148 PolarHBondContact O-N 3Å; I138-K148 HydrophobicContact CD1-CB 4.11Å; K148-N152 WeakPolarHBondContact CE-OD1 3.46Å; K148-N152 PolarHBondContact NZ-OD1 2.91Å; K148-R153 CarbonylContact C-O 3.55Å; K148-R153 VanDerWaalsContact CA-O 3.31Å; K148-R153 WeakPolarHBondContact CA-O 3.3Å; K148-I154 HydrophobicContact CB-CG1 4.15Å; K148-I154 HydrophobicContact CD-CG1 4.47Å; K148-I154 HydrophobicContact CG-CG1 4.02Å
149	S	94.9	Very high	93.7	Very high	14 Å²	14	60 Å²	60	10%	0.098	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	167.3	172.8	44.7	0	0	0	0	112.1	D151 N152 R153	S149-D151 VanDerWaalsContact CB-OD1 3.31Å; S149-D151 WeakPolarHBondContact CB-OD1 3.5Å; S149-D151 PolarHBondContact O-N 2.83Å; S149-D151 PolarHBondContact OG-OD1 3.39Å; S149-N152 PolarHBondContact O-N 3.42Å; S149-R153 PolarHBondContact N-O 3.25Å; S149-R153 WeakPolarHBondContact OG-CB 3.39Å; S149-R153 PolarHBondContact OG-N 3.12Å; S149-R153 PolarHBondContact OG-O 3.05Å; S149-R153 VanDerWaalsContact OG-O 3.11Å
150	G	90.8	Very high	93.4	Very high	76 Å²	76	58.7 Å²	58.7	78%	0.784	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-22.5	178.3	0	0	0	0	0	114.8	N152	G150-N152 VanDerWaalsContact C-N 3.28Å
151	D	92.1	Very high	93.2	Very high	83 Å²	83	58.2 Å²	58.2	44%	0.444	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	13.1	174	63.2	5.1	0	0	0	113.5	S149 R153	S149-D151 VanDerWaalsContact CB-OD1 3.31Å; S149-D151 WeakPolarHBondContact CB-OD1 3.5Å; S149-D151 PolarHBondContact O-N 2.83Å; S149-D151 PolarHBondContact OG-OD1 3.39Å; D151-R153 VanDerWaalsContact C-N 3.26Å; D151-R153 PolarHBondContact O-N 3.27Å; D151-R153 PolarHBondContact OD1-N 3.17Å; D151-R153 IonicContact OD1-NE 2.73Å; D151-R153 PolarHBondContact OD1-NE 3.21Å; D151-R153 IonicContact OD2-CZ 3.42Å; D151-R153 IonicContact OD2-NE 3.08Å; D151-R153 PolarHBondContact OD2-NE 3.04Å; D151-R153 IonicContact OD2-NH2 3.39Å; D151-R153 PolarHBondContact OD2-NH2 3.26Å
152	N	91.6	Very high	93.1	Very high	108 Å²	108	53.4 Å²	53.4	58%	0.578	26%	0.263	S	S	*	.	S	Bend	trans	66.9	10.4	-179.7	-55.9	-70.9	0	0	0	116.5	K148 S149 G150	K148-N152 WeakPolarHBondContact CE-OD1 3.46Å; K148-N152 PolarHBondContact NZ-OD1 2.91Å; S149-N152 PolarHBondContact O-N 3.42Å; G150-N152 VanDerWaalsContact C-N 3.28Å
153	R	94.2	Very high	93	Very high	139 Å²	139	45.1 Å²	45.1	53%	0.525	23%	0.233	S	C	.	.			trans	-69.8	144	168.4	-65.4	-177.9	-73.4	170.5	-4.2	110.4	L127 K148 S149 D151	L127-R153 HydrophobicContact CD1-CB 3.68Å; K148-R153 CarbonylContact C-O 3.55Å; K148-R153 VanDerWaalsContact CA-O 3.31Å; K148-R153 WeakPolarHBondContact CA-O 3.3Å; S149-R153 PolarHBondContact N-O 3.25Å; S149-R153 WeakPolarHBondContact OG-CB 3.39Å; S149-R153 PolarHBondContact OG-N 3.12Å; S149-R153 PolarHBondContact OG-O 3.05Å; S149-R153 VanDerWaalsContact OG-O 3.11Å; D151-R153 VanDerWaalsContact C-N 3.26Å; D151-R153 PolarHBondContact O-N 3.27Å; D151-R153 PolarHBondContact OD1-N 3.17Å; D151-R153 IonicContact OD1-NE 2.73Å; D151-R153 PolarHBondContact OD1-NE 3.21Å; D151-R153 IonicContact OD2-CZ 3.42Å; D151-R153 IonicContact OD2-NE 3.08Å; D151-R153 PolarHBondContact OD2-NE 3.04Å; D151-R153 IonicContact OD2-NH2 3.39Å; D151-R153 PolarHBondContact OD2-NH2 3.26Å
154	I	94.6	Very high	92.9	Very high	77 Å²	77	42.6 Å²	42.6	40%	0.395	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	135.1	179.2	-65.8	174.4	0	0	0	108.1	I138 L146 C147 K148	I138-I154 HydrophobicContact CD1-CD1 4.01Å; I138-I154 HydrophobicContact CD1-CG1 4.04Å; I138-I154 HydrophobicContact CD1-CG2 3.8Å; L146-I154 HydrophobicContact CD1-CG2 3.8Å; L146-I154 HydrophobicContact CD2-CG2 4.17Å; L146-I154 HydrophobicContact CG-CG2 3.91Å; C147-I154 WeakPolarHBondContact O-CA 3.33Å; K148-I154 HydrophobicContact CB-CG1 4.15Å; K148-I154 HydrophobicContact CD-CG1 4.47Å; K148-I154 HydrophobicContact CG-CG1 4.02Å
155	G	95.5	Very high	92.7	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.01	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.1	171.2	173.6	0	0	0	0	0	113.1	G125 C147	G125-G155 CarbonylContact O-C 3.56Å; G125-G155 WeakPolarHBondContact O-CA 3.29Å; C147-G155 PolarHBondContact N-O 3Å; C147-G155 PolarHBondContact O-N 2.89Å; C147-G155 VanDerWaalsContact O-N 3.07Å
156	W	95.8	Very high	92.2	Very high	58 Å²	58	45.8 Å²	45.8	22%	0.22	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	139.4	-178.9	-67.5	100.8	0	0	0	110.8	G125 D126 L127 R139 K141 W144 I145 L146	G125-W156 PolarHBondContact O-N 2.82Å; D126-W156 WeakPolarHBondContact CA-O 3.48Å; L127-W156 PolarHBondContact N-O 2.69Å; R139-W156 HydrophobicContact CG-CH2 4.3Å; K141-W156 HydrophobicContact CB-CH2 3.56Å; K141-W156 HydrophobicContact CB-CZ3 3.67Å; K141-W156 HydrophobicContact CD-CH2 4.36Å; W144-W156 HydrophobicContact CB-CE3 3.79Å; W144-W156 HydrophobicContact CB-CZ3 4.34Å; W144-W156 HydrophobicContact CE3-CB 3.93Å; W144-W156 HydrophobicContact CZ3-CB 4.46Å; I145-W156 VanDerWaalsContact C-CE3 3.43Å; I145-W156 CarbonylContact O-C 3.52Å; I145-W156 WeakPolarHBondContact O-CA 3.25Å; L146-W156 HydrophobicContact CB-CD2 4.14Å; L146-W156 HydrophobicContact CB-CE3 3.91Å; L146-W156 HydrophobicContact CB-CH2 3.98Å; L146-W156 HydrophobicContact CB-CZ2 4.21Å; L146-W156 HydrophobicContact CB-CZ3 3.83Å; L146-W156 HydrophobicContact CD1-CD2 3.97Å; L146-W156 HydrophobicContact CD1-CG 4.11Å; L146-W156 HydrophobicContact CD1-CZ2 4.37Å; L146-W156 VanDerWaalsContact N-CE3 3.27Å
157	V	94.8	Very high	91.5	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	148.4	176.7	-59.3	0	0	0	0	110.2	L127 F129 L135 W144 I145 C147 S159 L162	L127-V157 HydrophobicContact CB-CG1 3.77Å; L127-V157 HydrophobicContact CD2-CG1 4.3Å; L127-V157 HydrophobicContact CG-CG1 4.38Å; F129-V157 HydrophobicContact CD1-CB 4.45Å; F129-V157 HydrophobicContact CD1-CG1 3.72Å; F129-V157 HydrophobicContact CE1-CB 3.68Å; F129-V157 HydrophobicContact CE1-CG1 3.42Å; F129-V157 VanDerWaalsContact CE1-CG1 3.42Å; F129-V157 HydrophobicContact CZ-CB 4.43Å; L135-V157 HydrophobicContact CD1-CG1 4.26Å; L135-V157 HydrophobicContact CD1-CG2 4.44Å; W144-V157 WeakPolarHBondContact CA-O 3.47Å; I145-V157 HydrophobicContact CB-CG2 4.22Å; I145-V157 PolarHBondContact N-O 3.47Å; I145-V157 VanDerWaalsContact O-CG2 3.31Å; I145-V157 WeakPolarHBondContact O-CG2 3.03Å; I145-V157 PolarHBondContact O-N 3.17Å; C147-V157 HydrophobicContact CB-CG2 3.97Å; C147-V157 VanDerWaalsContact SG-CG2 3.58Å; V157-S159 PolarHBondContact O-N 3.02Å; V157-L162 HydrophobicContact CG2-CD1 3.73Å; V157-L162 HydrophobicContact CG2-CD2 4.43Å; V157-L162 HydrophobicContact CG2-CG 4.35Å
158	P	93.9	Very high	90.6	Very high	4 Å²	4	55.1 Å²	55.1	3%	0.026	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	127.6	177	28.5	-34.4	0	0	0	110.5	F119 W144 N160 Y161	F119-P158 HydrophobicContact CD2-CG 3.99Å; F119-P158 HydrophobicContact CE2-CG 4.05Å; F119-P158 HydrophobicContact CG-CG 4.32Å; F119-P158 HydrophobicContact CZ-CG 4.42Å; W144-P158 HydrophobicContact CZ3-CB 4.48Å; P158-N160 WeakPolarHBondContact CB-OD1 3.43Å; P158-N160 PolarHBondContact O-N 2.99Å; P158-Y161 HydrophobicContact CB-CD2 3.96Å; P158-Y161 HydrophobicContact CB-CE2 4.47Å; P158-Y161 HydrophobicContact CG-CD1 4.35Å; P158-Y161 HydrophobicContact CG-CD2 3.46Å; P158-Y161 VanDerWaalsContact CG-CD2 3.46Å; P158-Y161 HydrophobicContact CG-CE2 3.98Å; P158-Y161 HydrophobicContact CG-CG 3.7Å; P158-Y161 PolarHBondContact O-N 3.42Å; P158-Y161 VanDerWaalsContact O-N 3.08Å
159	S	90.7	Very high	89.8	Confident	26 Å²	26	53 Å²	53	18%	0.182	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-57.7	-34.7	-175.3	69.2	0	0	0	0	112.8	E143 V157 Y161 L162	E143-S159 VanDerWaalsContact O-CB 3.22Å; E143-S159 WeakPolarHBondContact O-CB 3.39Å; E143-S159 PolarHBondContact O-N 2.87Å; E143-S159 PolarHBondContact O-OG 2.94Å; E143-S159 VanDerWaalsContact O-OG 3.1Å; V157-S159 PolarHBondContact O-N 3.02Å; S159-Y161 PolarHBondContact O-N 2.95Å; S159-L162 WeakPolarHBondContact O-CB 3.01Å; S159-L162 PolarHBondContact O-N 3.36Å; S159-L162 VanDerWaalsContact O-N 3.1Å
160	N	87.6	Confident	88.9	Confident	29 Å²	29	53 Å²	53	16%	0.155	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-76.3	-2.1	-178	65.8	-15.5	0	0	0	114.4	P158 N204 S206	P158-N160 WeakPolarHBondContact CB-OD1 3.43Å; P158-N160 PolarHBondContact O-N 2.99Å; N160-N204 PolarHBondContact ND2-O 2.79Å; N160-S206 PolarHBondContact ND2-N 2.8Å
161	Y	90	Very high	88.2	Confident	36 Å²	36	51 Å²	51	14%	0.141	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-91.4	-6.8	169	-81	-126.3	0	0	0	111.9	L116 Y117 S118 F119 F129 P158 S159	L116-Y161 WeakPolarHBondContact CB-O 3.31Å; L116-Y161 PolarHBondContact N-O 2.88Å; Y117-Y161 HydrophobicContact CD2-CD1 4.05Å; Y117-Y161 HydrophobicContact CD2-CE1 4.38Å; Y117-Y161 HydrophobicContact CD2-CG 4.14Å; Y117-Y161 HydrophobicContact CG-CD1 4.45Å; S118-Y161 WeakPolarHBondContact O-CE1 3.5Å; F119-Y161 HydrophobicContact CB-CD1 3.9Å; F119-Y161 HydrophobicContact CB-CE1 4.06Å; F119-Y161 HydrophobicContact CD2-CD1 4.48Å; F119-Y161 HydrophobicContact CD2-CE1 4.13Å; F129-Y161 HydrophobicContact CE2-CD1 4.27Å; F129-Y161 HydrophobicContact CZ-CD1 4.06Å; F129-Y161 HydrophobicContact CZ-CG 4.28Å; P158-Y161 HydrophobicContact CB-CD2 3.96Å; P158-Y161 HydrophobicContact CB-CE2 4.47Å; P158-Y161 HydrophobicContact CG-CD1 4.35Å; P158-Y161 HydrophobicContact CG-CD2 3.46Å; P158-Y161 VanDerWaalsContact CG-CD2 3.46Å; P158-Y161 HydrophobicContact CG-CE2 3.98Å; P158-Y161 HydrophobicContact CG-CG 3.7Å; P158-Y161 PolarHBondContact O-N 3.42Å; P158-Y161 VanDerWaalsContact O-N 3.08Å; S159-Y161 PolarHBondContact O-N 2.95Å
162	L	90.4	Very high	87.4	Confident	14 Å²	14	55.5 Å²	55.5	7%	0.073	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	153.4	-173.6	-52.7	-170.2	0	0	0	111.2	Y113 F129 L135 I145 V157 S159	Y113-L162 HydrophobicContact CD1-CB 3.75Å; Y113-L162 HydrophobicContact CD1-CD1 4.36Å; Y113-L162 HydrophobicContact CG-CB 4.11Å; Y113-L162 HydrophobicContact CG-CD1 4.04Å; F129-L162 HydrophobicContact CE2-CD2 4.44Å; F129-L162 HydrophobicContact CZ-CD2 4.24Å; L135-L162 HydrophobicContact CD1-CD2 3.73Å; I145-L162 HydrophobicContact CD1-CD1 4.11Å; V157-L162 HydrophobicContact CG2-CD1 3.73Å; V157-L162 HydrophobicContact CG2-CD2 4.43Å; V157-L162 HydrophobicContact CG2-CG 4.35Å; S159-L162 WeakPolarHBondContact O-CB 3.01Å; S159-L162 PolarHBondContact O-N 3.36Å; S159-L162 VanDerWaalsContact O-N 3.1Å
163	T	89.1	Confident	86.7	Confident	10 Å²	10	51.7 Å²	51.7	6%	0.061	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	146.2	165.1	-177.7	0	0	0	0	108.7	Y113 A114 L116 F165 I169	Y113-T163 CarbonylContact C-O 3.51Å; Y113-T163 VanDerWaalsContact CA-O 3.27Å; Y113-T163 WeakPolarHBondContact CA-O 3.26Å; Y113-T163 WeakPolarHBondContact CD1-O 3.14Å; A114-T163 HydrophobicContact CB-CG2 4.14Å; A114-T163 PolarHBondContact N-O 3Å; A114-T163 PolarHBondContact O-N 3.18Å; L116-T163 HydrophobicContact CD1-CG2 4.47Å; L116-T163 HydrophobicContact CD2-CG2 3.54Å; L116-T163 HydrophobicContact CG-CG2 3.88Å; T163-F165 PolarHBondContact O-N 2.91Å; T163-I169 HydrophobicContact CG2-CD1 4.21Å; T163-I169 HydrophobicContact CG2-CG2 3.68Å
164	P	89.3	Confident	85.7	Confident	70 Å²	70	51.2 Å²	51.2	46%	0.455	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-50.1	134.9	171.3	-27.6	35.5	0	0	0	110.5	Y113 T166	Y113-P164 HydrophobicContact CE1-CG 4.02Å; P164-T166 PolarHBondContact O-N 3.08Å
165	F	90.3	Very high	84.3	Confident	85 Å²	85	50 Å²	50	37%	0.373	26%	0.263	S	S	.	.			trans	-63.3	128.7	178.4	166.2	-95.7	0	0	0	110.2	T112 L134 T163 V170	T112-F165 HydrophobicContact CG2-CB 4.06Å; T112-F165 HydrophobicContact CG2-CG 4.38Å; T112-F165 WeakPolarHBondContact O-CB 3.45Å; T112-F165 PolarHBondContact O-N 2.95Å; L134-F165 HydrophobicContact CD1-CD2 4.29Å; L134-F165 HydrophobicContact CD1-CE2 4.17Å; L134-F165 HydrophobicContact CD2-CD2 3.67Å; L134-F165 HydrophobicContact CD2-CE2 4.21Å; T163-F165 PolarHBondContact O-N 2.91Å; F165-V170 HydrophobicContact CD2-CB 4.48Å; F165-V170 HydrophobicContact CD2-CG2 3.37Å; F165-V170 HydrophobicContact CE2-CB 4.12Å; F165-V170 HydrophobicContact CE2-CG2 3.44Å; F165-V170 VanDerWaalsContact CE2-CG2 3.44Å
166	T	83.9	Confident	82.3	Confident	47 Å²	47	56.5 Å²	56.5	29%	0.288	30%	0.297	S	S	.	.			trans	-134.5	150.8	158.1	82.4	0	0	0	0	108.7	P164 E168 I169 V170	P164-T166 PolarHBondContact O-N 3.08Å; T166-E168 WeakPolarHBondContact CB-OE2 3.47Å; T166-E168 PolarHBondContact O-N 3.48Å; T166-E168 PolarHBondContact OG1-OE2 3.39Å; T166-I169 HydrophobicContact CG2-CD1 4.12Å; T166-I169 PolarHBondContact O-N 3.49Å; T166-I169 WeakPolarHBondContact OG1-CG1 3.34Å; T166-I169 PolarHBondContact OG1-N 3.3Å; T166-V170 PolarHBondContact O-N 2.83Å; T166-V170 VanDerWaalsContact O-N 3.12Å
167	P	81.4	Confident	80	Confident	84 Å²	84	55.3 Å²	55.3	55%	0.545	30%	0.303	S	S	.	.	H	α-helix	trans	-52.7	-39	177.2	-26.9	35.7	0	0	0	112.8	V170 A171	P167-V170 PolarHBondContact O-N 2.66Å; P167-A171 WeakPolarHBondContact O-CB 3.38Å; P167-A171 PolarHBondContact O-N 3.4Å
168	E	77.1	Confident	77.5	Confident	123 Å²	123	61 Å²	61	58%	0.575	33%	0.333	S	S	*	.	H	α-helix	trans	-67	-42.6	-179	-52.3	74	-157	0	0	111.6	T166 V170 R172	T166-E168 WeakPolarHBondContact CB-OE2 3.47Å; T166-E168 PolarHBondContact O-N 3.48Å; T166-E168 PolarHBondContact OG1-OE2 3.39Å; E168-V170 VanDerWaalsContact C-N 3.35Å; E168-R172 VanDerWaalsContact O-CG 3.26Å; E168-R172 WeakPolarHBondContact O-CG 3.44Å; E168-R172 PolarHBondContact O-N 3.18Å
169	I	76.7	Confident	75.2	Confident	30 Å²	30	69.9 Å²	69.9	15%	0.154	37%	0.374	C	S	.	.	H	α-helix	trans	-63.2	-44.8	178.2	-72.6	173.4	0	0	0	110.1	A114 T163 T166 R172 L173	A114-I169 HydrophobicContact CB-CG2 4.28Å; T163-I169 HydrophobicContact CG2-CD1 4.21Å; T163-I169 HydrophobicContact CG2-CG2 3.68Å; T166-I169 HydrophobicContact CG2-CD1 4.12Å; T166-I169 PolarHBondContact O-N 3.49Å; T166-I169 WeakPolarHBondContact OG1-CG1 3.34Å; T166-I169 PolarHBondContact OG1-N 3.3Å; I169-R172 WeakPolarHBondContact O-CB 3.49Å; I169-R172 PolarHBondContact O-N 3Å; I169-L173 HydrophobicContact CG2-CD1 3.75Å; I169-L173 HydrophobicContact CG2-CG 4.29Å; I169-L173 VanDerWaalsContact O-CG 3.31Å; I169-L173 WeakPolarHBondContact O-CG 3.29Å; I169-L173 PolarHBondContact O-N 3.21Å
170	V	76.4	Confident	72.9	Confident	12 Å²	12	77.1 Å²	77.1	7%	0.073	41%	0.41	C	S	.	.	H	α-helix	trans	-69.9	-39.2	-178.4	175.3	0	0	0	0	111.8	A114 L134 F165 T166 P167 E168 R172 L173 K174	A114-V170 HydrophobicContact CB-CG2 3.97Å; L134-V170 HydrophobicContact CD2-CG2 3.83Å; F165-V170 HydrophobicContact CD2-CB 4.48Å; F165-V170 HydrophobicContact CD2-CG2 3.37Å; F165-V170 HydrophobicContact CE2-CB 4.12Å; F165-V170 HydrophobicContact CE2-CG2 3.44Å; F165-V170 VanDerWaalsContact CE2-CG2 3.44Å; T166-V170 PolarHBondContact O-N 2.83Å; T166-V170 VanDerWaalsContact O-N 3.12Å; P167-V170 PolarHBondContact O-N 2.66Å; E168-V170 VanDerWaalsContact C-N 3.35Å; V170-R172 VanDerWaalsContact C-N 3.27Å; V170-R172 PolarHBondContact O-N 2.8Å; V170-L173 PolarHBondContact O-N 3.24Å; V170-K174 HydrophobicContact CG1-CD 3.8Å; V170-K174 HydrophobicContact CG1-CG 4.14Å; V170-K174 WeakPolarHBondContact O-CB 3.11Å; V170-K174 WeakPolarHBondContact O-CG 3.36Å; V170-K174 PolarHBondContact O-N 2.78Å
171	A	76.3	Confident	70.8	Confident	35 Å²	35	78.5 Å²	78.5	29%	0.289	43%	0.431	S	S	.	.	H	α-helix	trans	-57	-43.4	172.3	0	0	0	0	0	111.2	P167 G175 L176 G177	P167-A171 WeakPolarHBondContact O-CB 3.38Å; P167-A171 PolarHBondContact O-N 3.4Å; A171-G175 PolarHBondContact O-N 3.03Å; A171-L176 PolarHBondContact O-N 2.71Å; A171-G177 PolarHBondContact O-N 3.06Å
172	R	75.6	Confident	68.9	Low	177 Å²	177	81.1 Å²	81.1	67%	0.668	45%	0.447	S	S	*	.	H	α-helix	trans	-65.3	-42.5	175.5	-71.3	171.7	64.6	-169.9	1.4	112.9	E168 I169 V170 G175	E168-R172 VanDerWaalsContact O-CG 3.26Å; E168-R172 WeakPolarHBondContact O-CG 3.44Å; E168-R172 PolarHBondContact O-N 3.18Å; I169-R172 WeakPolarHBondContact O-CB 3.49Å; I169-R172 PolarHBondContact O-N 3Å; V170-R172 VanDerWaalsContact C-N 3.27Å; V170-R172 PolarHBondContact O-N 2.8Å; R172-G175 PolarHBondContact O-N 2.79Å
173	L	76.6	Confident	67.1	Low	29 Å²	29	82.4 Å²	82.4	15%	0.152	46%	0.456	C	S	.	.	H	α-helix	trans	-68.8	-35.2	-179.7	-71.2	171.5	0	0	0	112.4	A114 L116 R131 I169 V170 G175	A114-L173 HydrophobicContact CB-CD1 3.88Å; L116-L173 HydrophobicContact CD2-CD2 4.49Å; R131-L173 HydrophobicContact CG-CD2 4.29Å; I169-L173 HydrophobicContact CG2-CD1 3.75Å; I169-L173 HydrophobicContact CG2-CG 4.29Å; I169-L173 VanDerWaalsContact O-CG 3.31Å; I169-L173 WeakPolarHBondContact O-CG 3.29Å; I169-L173 PolarHBondContact O-N 3.21Å; V170-L173 PolarHBondContact O-N 3.24Å; L173-G175 VanDerWaalsContact C-N 3.28Å; L173-G175 PolarHBondContact O-N 2.87Å
174	K	73	Confident	65.6	Low	128 Å²	128	83.5 Å²	83.5	56%	0.557	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	0.5	176.6	-67.9	-174.8	177.4	-176.9	0	114	V170 L176	V170-K174 HydrophobicContact CG1-CD 3.8Å; V170-K174 HydrophobicContact CG1-CG 4.14Å; V170-K174 WeakPolarHBondContact O-CB 3.11Å; V170-K174 WeakPolarHBondContact O-CG 3.36Å; V170-K174 PolarHBondContact O-N 2.78Å; K174-L176 VanDerWaalsContact C-N 3.27Å; K174-L176 HydrophobicContact CB-CD1 3.93Å; K174-L176 HydrophobicContact CB-CG 4.3Å; K174-L176 HydrophobicContact CD-CD1 4.41Å; K174-L176 PolarHBondContact O-N 2.93Å
175	G	65.2	Low	63.7	Low	51 Å²	51	84.1 Å²	84.1	53%	0.526	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.8	19.8	-178.7	0	0	0	0	0	114.6	A171 R172 L173	A171-G175 PolarHBondContact O-N 3.03Å; R172-G175 PolarHBondContact O-N 2.79Å; L173-G175 VanDerWaalsContact C-N 3.28Å; L173-G175 PolarHBondContact O-N 2.87Å
176	L	54.5	Low	62.1	Low	138 Å²	138	85 Å²	85	72%	0.723	47%	0.469	S	S	*	.			trans	-96	3.7	-177	-72.7	164.1	0	0	0	113.7	A171 K174	A171-L176 PolarHBondContact O-N 2.71Å; K174-L176 VanDerWaalsContact C-N 3.27Å; K174-L176 HydrophobicContact CB-CD1 3.93Å; K174-L176 HydrophobicContact CB-CG 4.3Å; K174-L176 HydrophobicContact CD-CD1 4.41Å; K174-L176 PolarHBondContact O-N 2.93Å
177	G	46.3	Very low	60.9	Low	33 Å²	33	84.5 Å²	84.5	34%	0.34	46%	0.464	S	S	.	.			trans	-112.7	63.4	-175.1	0	0	0	0	0	113.5	A171 Q179	A171-G177 PolarHBondContact O-N 3.06Å; G177-Q179 VanDerWaalsContact C-N 3.27Å; G177-Q179 PolarHBondContact O-N 2.77Å
178	D	42.8	Very low	59.8	Low	121 Å²	121	84 Å²	84	65%	0.647	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	26.4	-170.9	-131.8	13	0	0	0	114.7	T183	D178-T183 WeakPolarHBondContact OD1-CG2 3.49Å
179	Q	46.7	Very low	59.1	Low	189 Å²	189	86.9 Å²	86.9	88%	0.883	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135.9	2.6	-176.6	-76	-166.9	-26.8	0	0	117.8	G177	G177-Q179 VanDerWaalsContact C-N 3.27Å; G177-Q179 PolarHBondContact O-N 2.77Å
180	L	42	Very low	58.6	Low	179 Å²	179	88.1 Å²	88.1	94%	0.937	48%	0.478	S	S	*	.	S	Bend	trans	-140.1	18.1	-176.9	-95.7	152.5	0	0	0	116.9
181	G	44	Very low	58.4	Low	57 Å²	57	88.3 Å²	88.3	59%	0.588	48%	0.479	S	S	*	.	S	Bend	trans	173.3	130.7	168.9	0	0	0	0	0	110	T183	G181-T183 PolarHBondContact O-N 3.37Å
182	L	49.6	Very low	58.5	Low	91 Å²	91	95.1 Å²	95.1	48%	0.476	51%	0.505	S	S	.	.			trans	-35.2	111.1	179.5	-74.8	155.3	0	0	0	109.6	H186 M187	L182-H186 HydrophobicContact CB-CB 4.15Å; L182-H186 HydrophobicContact CD2-CB 3.76Å; L182-M187 HydrophobicContact CB-CG 3.79Å; L182-M187 HydrophobicContact CD1-CG 4.49Å
183	T	53.5	Low	58.8	Low	42 Å²	42	90.3 Å²	90.3	26%	0.258	49%	0.492	S	S	.	.			trans	-50.9	149.4	175.2	14.7	0	0	0	0	108.2	D178 G181 C185 H186 M187	D178-T183 WeakPolarHBondContact OD1-CG2 3.49Å; G181-T183 PolarHBondContact O-N 3.37Å; T183-C185 PolarHBondContact O-N 3.38Å; T183-H186 CarbonylContact O-C 3.54Å; T183-H186 VanDerWaalsContact O-CA 3.28Å; T183-H186 WeakPolarHBondContact O-CA 3.45Å; T183-H186 VanDerWaalsContact O-CB 3.26Å; T183-H186 WeakPolarHBondContact O-CB 3.36Å; T183-H186 PolarHBondContact O-N 3.46Å; T183-M187 PolarHBondContact O-N 2.98Å
184	Y	55.8	Low	59.3	Low	33 Å²	33	93.6 Å²	93.6	13%	0.129	52%	0.515	C	S	.	.	H	α-helix	trans	-48.7	-38.1	178.5	171.2	-98.3	0	0	0	112	H186 M187 L188 L227 P228 I247	Y184-H186 PolarHBondContact O-N 3.01Å; Y184-M187 PolarHBondContact O-N 3.17Å; Y184-L188 HydrophobicContact CD1-CD1 4.05Å; Y184-L188 HydrophobicContact CE1-CD1 3.35Å; Y184-L188 HydrophobicContact CE1-CG 4.08Å; Y184-L188 HydrophobicContact CE2-CG 4.5Å; Y184-L188 WeakPolarHBondContact O-CG 3.25Å; Y184-L188 PolarHBondContact O-N 3.18Å; Y184-L188 WeakPolarHBondContact OH-CD1 3.3Å; Y184-L227 PolarHBondContact OH-O 2.95Å; Y184-P228 WeakPolarHBondContact CE1-O 3.44Å; Y184-P228 WeakPolarHBondContact OH-CA 3.29Å; Y184-I247 HydrophobicContact CD2-CD1 3.95Å; Y184-I247 HydrophobicContact CD2-CG2 4.08Å; Y184-I247 HydrophobicContact CE2-CD1 4.09Å; Y184-I247 HydrophobicContact CE2-CG2 4.48Å
185	C	51	Low	60	Low	82 Å²	82	88 Å²	88	55%	0.554	49%	0.492	S	S	*	.	H	α-helix	trans	-66.7	-29.9	173.1	-57.3	0	0	0	0	114.5	T183 K189	T183-C185 PolarHBondContact O-N 3.38Å; C185-K189 WeakPolarHBondContact O-CG 3.32Å
186	H	57.1	Low	61.2	Low	103 Å²	103	88.6 Å²	88.6	48%	0.477	49%	0.486	S	S	.	.	H	α-helix	trans	-75	-44.3	173.6	-123.8	119.3	0	0	0	110.9	L182 T183 Y184 L188 K189 S190	L182-H186 HydrophobicContact CB-CB 4.15Å; L182-H186 HydrophobicContact CD2-CB 3.76Å; T183-H186 CarbonylContact O-C 3.54Å; T183-H186 VanDerWaalsContact O-CA 3.28Å; T183-H186 WeakPolarHBondContact O-CA 3.45Å; T183-H186 VanDerWaalsContact O-CB 3.26Å; T183-H186 WeakPolarHBondContact O-CB 3.36Å; T183-H186 PolarHBondContact O-N 3.46Å; Y184-H186 PolarHBondContact O-N 3.01Å; H186-L188 VanDerWaalsContact C-N 3.31Å; H186-L188 PolarHBondContact O-N 3.34Å; H186-K189 CarbonylContact O-C 3.58Å; H186-K189 WeakPolarHBondContact O-CA 3.42Å; H186-K189 PolarHBondContact O-N 2.67Å; H186-S190 WeakPolarHBondContact O-CB 3.31Å; H186-S190 PolarHBondContact O-N 3.01Å; H186-S190 PolarHBondContact O-OG 3.33Å; H186-S190 VanDerWaalsContact O-OG 3.05Å
187	M	57.4	Low	62.9	Low	38 Å²	38	82.2 Å²	82.2	19%	0.187	45%	0.454	C	S	.	.	H	α-helix	trans	-59.9	-40.3	174.5	-80.8	-164.4	-72.6	0	0	112.3	L182 T183 Y184 K189 S190 V191 I247 I252	L182-M187 HydrophobicContact CB-CG 3.79Å; L182-M187 HydrophobicContact CD1-CG 4.49Å; T183-M187 PolarHBondContact O-N 2.98Å; Y184-M187 PolarHBondContact O-N 3.17Å; M187-K189 PolarHBondContact O-N 2.97Å; M187-K189 VanDerWaalsContact O-N 3.16Å; M187-S190 PolarHBondContact O-N 3.25Å; M187-V191 HydrophobicContact CB-CG2 4.14Å; M187-V191 HydrophobicContact CG-CG2 4.32Å; M187-V191 WeakPolarHBondContact O-CB 3.43Å; M187-V191 WeakPolarHBondContact O-CG2 3.45Å; M187-V191 PolarHBondContact O-N 3.34Å; M187-I247 HydrophobicContact CE-CD1 3.34Å; M187-I247 HydrophobicContact CE-CG1 3.88Å; M187-I247 HydrophobicContact SD-CD1 3.94Å; M187-I247 HydrophobicContact SD-CG1 4.49Å; M187-I252 HydrophobicContact SD-CD1 4.02Å
188	L	58.4	Low	65	Low	73 Å²	73	84.3 Å²	84.3	38%	0.382	45%	0.453	S	S	.	.	H	α-helix	trans	-56.4	-28.7	173	-84	170.8	0	0	0	113.5	Y184 H186 L226	Y184-L188 HydrophobicContact CD1-CD1 4.05Å; Y184-L188 HydrophobicContact CE1-CD1 3.35Å; Y184-L188 HydrophobicContact CE1-CG 4.08Å; Y184-L188 HydrophobicContact CE2-CG 4.5Å; Y184-L188 WeakPolarHBondContact O-CG 3.25Å; Y184-L188 PolarHBondContact O-N 3.18Å; Y184-L188 WeakPolarHBondContact OH-CD1 3.3Å; H186-L188 VanDerWaalsContact C-N 3.31Å; H186-L188 PolarHBondContact O-N 3.34Å; L188-L226 HydrophobicContact CD2-CB 3.46Å; L188-L226 VanDerWaalsContact CD2-CB 3.46Å; L188-L226 HydrophobicContact CD2-CD1 4.26Å; L188-L226 HydrophobicContact CG-CB 4.49Å
189	K	63.6	Low	67.2	Low	184 Å²	184	78.6 Å²	78.6	80%	0.8	42%	0.423	S	S	*	.	H	α-helix	trans	-96.7	-25.4	-178.7	-68.2	178	-179.7	-177.3	0	113.2	C185 H186 M187	C185-K189 WeakPolarHBondContact O-CG 3.32Å; H186-K189 CarbonylContact O-C 3.58Å; H186-K189 WeakPolarHBondContact O-CA 3.42Å; H186-K189 PolarHBondContact O-N 2.67Å; M187-K189 PolarHBondContact O-N 2.97Å; M187-K189 VanDerWaalsContact O-N 3.16Å
190	S	65.1	Low	69.2	Low	55 Å²	55	73.1 Å²	73.1	39%	0.385	40%	0.402	S	S	.	.	H	α-helix	trans	-104	-24.9	-170.5	68.6	0	0	0	0	114.4	H186 M187 Q192	H186-S190 WeakPolarHBondContact O-CB 3.31Å; H186-S190 PolarHBondContact O-N 3.01Å; H186-S190 PolarHBondContact O-OG 3.33Å; H186-S190 VanDerWaalsContact O-OG 3.05Å; M187-S190 PolarHBondContact O-N 3.25Å; S190-Q192 PolarHBondContact O-N 3.48Å
191	V	71.9	Confident	71.2	Confident	17 Å²	17	70.5 Å²	70.5	10%	0.103	38%	0.38	C	S	.	.			trans	-82.6	115.2	-177.5	178.9	0	0	0	0	109.5	M187 L193 A195 L226 I252	M187-V191 HydrophobicContact CB-CG2 4.14Å; M187-V191 HydrophobicContact CG-CG2 4.32Å; M187-V191 WeakPolarHBondContact O-CB 3.43Å; M187-V191 WeakPolarHBondContact O-CG2 3.45Å; M187-V191 PolarHBondContact O-N 3.34Å; V191-L193 HydrophobicContact CG1-CD2 3.91Å; V191-A195 HydrophobicContact CG1-CB 3.64Å; V191-L226 HydrophobicContact CB-CD1 4.25Å; V191-I252 HydrophobicContact CG1-CG2 3.95Å; V191-I252 HydrophobicContact CG2-CD1 4.45Å; V191-I252 HydrophobicContact CG2-CG2 4.34Å
192	Q	78.6	Confident	73.3	Confident	178 Å²	178	70.7 Å²	70.7	83%	0.832	38%	0.376	S	S	*	.			trans	-72.3	127.4	167.8	-68.8	-174.6	-0	0	0	109.4	S190	S190-Q192 PolarHBondContact O-N 3.48Å
193	L	83	Confident	74.9	Confident	75 Å²	75	66.8 Å²	66.8	39%	0.393	36%	0.355	S	S	.	.	S	Bend	trans	-104.2	143.6	179.6	-63	174.6	0	0	0	110.5	V191 A195 I223 L226	V191-L193 HydrophobicContact CG1-CD2 3.91Å; L193-A195 HydrophobicContact CD2-CB 4.2Å; L193-I223 HydrophobicContact CD2-CB 4.26Å; L193-I223 HydrophobicContact CD2-CG2 3.78Å; L193-I223 WeakPolarHBondContact CD2-O 3.35Å; L193-L226 HydrophobicContact CD1-CG 4.25Å; L193-L226 HydrophobicContact CD2-CG 4.45Å
194	P	85.3	Confident	76.4	Confident	99 Å²	99	70 Å²	70	64%	0.643	37%	0.37	S	S	*	.	S	Bend	cis	-72.4	141.9	-0.6	30.8	-34.6	0	0	0	112.5	I223	P194-I223 VanDerWaalsContact CA-O 3.28Å; P194-I223 WeakPolarHBondContact CA-O 3.22Å
195	A	88.1	Confident	77.7	Confident	9 Å²	9	69.3 Å²	69.3	7%	0.074	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	148.3	176.2	0	0	0	0	0	110.7	V191 L193 Q222 I223 I252	V191-A195 HydrophobicContact CG1-CB 3.64Å; L193-A195 HydrophobicContact CD2-CB 4.2Å; A195-Q222 CarbonylContact O-C 3.53Å; A195-Q222 WeakPolarHBondContact O-CA 3.44Å; A195-I223 HydrophobicContact CB-CD1 4.4Å; A195-I223 PolarHBondContact N-O 2.77Å; A195-I223 VanDerWaalsContact N-O 3.14Å; A195-I223 PolarHBondContact O-N 3.42Å; A195-I252 HydrophobicContact CB-CG2 3.87Å
196	T	90.2	Very high	78.9	Confident	65 Å²	65	66.9 Å²	66.9	40%	0.399	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	141.7	167.9	44.3	0	0	0	0	110.2	E253	T196-E253 PolarHBondContact O-N 3.12Å; T196-E253 PolarHBondContact OG1-OE2 3.1Å
197	G	89.7	Confident	79.8	Confident	4 Å²	4	69.5 Å²	69.5	4%	0.041	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	149.4	175.5	0	0	0	0	0	111.5	V221 K251	G197-V221 PolarHBondContact N-O 3Å; G197-V221 PolarHBondContact O-N 2.78Å; G197-K251 CarbonylContact C-O 3.57Å; G197-K251 VanDerWaalsContact CA-O 3.23Å; G197-K251 WeakPolarHBondContact CA-O 3.41Å
198	K	92	Very high	80.5	Confident	76 Å²	76	72.5 Å²	72.5	33%	0.33	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	135.8	178.2	-167.8	170.4	179.4	-171.6	0	110.8	V200 D218 D219 L250 K251	K198-V200 PolarHBondContact O-N 2.95Å; K198-D218 VanDerWaalsContact CE-CA 3.41Å; K198-D218 VanDerWaalsContact CE-CB 3.44Å; K198-D218 WeakPolarHBondContact CE-OD1 3.38Å; K198-D218 IonicContact NZ-OD1 2.65Å; K198-D218 PolarHBondContact NZ-OD1 3.08Å; K198-D219 WeakPolarHBondContact CA-O 3.33Å; K198-L250 CarbonylContact O-C 3.58Å; K198-L250 WeakPolarHBondContact O-CA 3.48Å; K198-K251 PolarHBondContact N-O 2.75Å; K198-K251 PolarHBondContact O-N 2.85Å
199	V	89.4	Confident	81.2	Confident	1 Å²	1	70 Å²	70	1%	0.006	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	120.1	-179.7	175.2	0	0	0	0	109.9	R201 V215 E216 D218 D219 V221 F249 L250	V199-R201 WeakPolarHBondContact CG1-O 3.46Å; V199-V215 HydrophobicContact CB-CB 4.47Å; V199-V215 HydrophobicContact CG1-CB 3.96Å; V199-V215 HydrophobicContact CG1-CG2 3.79Å; V199-V215 HydrophobicContact CG2-CB 3.83Å; V199-V215 HydrophobicContact CG2-CG1 4.04Å; V199-V215 HydrophobicContact CG2-CG2 4.2Å; V199-E216 VanDerWaalsContact CB-O 3.25Å; V199-E216 WeakPolarHBondContact CB-O 3.45Å; V199-E216 WeakPolarHBondContact CG1-O 3.34Å; V199-D218 PolarHBondContact O-N 3.43Å; V199-D219 HydrophobicContact CB-CB 3.96Å; V199-D219 HydrophobicContact CG2-CB 3.74Å; V199-D219 WeakPolarHBondContact CG2-O 3.49Å; V199-D219 PolarHBondContact N-O 3.48Å; V199-V221 HydrophobicContact CG2-CG1 4.37Å; V199-F249 CarbonylContact C-O 3.6Å; V199-F249 WeakPolarHBondContact CA-O 3.33Å; V199-L250 HydrophobicContact CG2-CD2 3.63Å
200	V	87.9	Confident	81.9	Confident	75 Å²	75	66.5 Å²	66.5	46%	0.455	37%	0.366	S	S	.	.	S	Bend	trans	-94.8	-11.8	-180	-67.7	0	0	0	0	113.2	K198 F249 K251	K198-V200 PolarHBondContact O-N 2.95Å; V200-F249 WeakPolarHBondContact CG2-O 3.36Å; V200-F249 PolarHBondContact N-O 3.39Å; V200-K251 HydrophobicContact CG1-CB 3.62Å
201	R	84	Confident	82.9	Confident	124 Å²	124	69.9 Å²	69.9	47%	0.468	38%	0.379	S	S	.	.	S	Bend	trans	-143.2	130.5	179.4	-67.8	-178.6	-178.4	-170.2	-1.3	109.5	V199 F249	V199-R201 WeakPolarHBondContact CG1-O 3.46Å; R201-F249 HydrophobicContact CB-CD1 3.65Å; R201-F249 HydrophobicContact CB-CE1 4.01Å; R201-F249 HydrophobicContact CB-CG 4.32Å; R201-F249 WeakPolarHBondContact O-CD1 3.14Å
202	A	87.4	Confident	83.7	Confident	61 Å²	61	70.9 Å²	70.9	50%	0.504	38%	0.383	S	S	.	.			trans	-64.7	144.3	170.8	0	0	0	0	0	110.5	V215 C217	A202-V215 CarbonylContact C-O 3.49Å; A202-V215 WeakPolarHBondContact CA-O 3.43Å; A202-C217 PolarHBondContact N-SG 2.76Å
203	R	83.7	Confident	84.2	Confident	9 Å²	9	63 Å²	63	3%	0.034	35%	0.347	C	S	.	.	B	Isolated β-bridge	trans	-140.7	126.4	177.7	-170.8	-174	179.7	-153	9.8	109.8	H212 K214 V215 L244 P246 F249	R203-H212 PolarHBondContact NH1-ND1 3.14Å; R203-H212 PolarHBondContact NH2-ND1 3.31Å; R203-K214 WeakPolarHBondContact O-CA 3.36Å; R203-K214 WeakPolarHBondContact O-CG 3.49Å; R203-V215 HydrophobicContact CB-CG2 3.7Å; R203-V215 PolarHBondContact N-O 2.57Å; R203-V215 PolarHBondContact O-N 3.29Å; R203-L244 PolarHBondContact NH1-O 3.21Å; R203-L244 VanDerWaalsContact NH1-O 3.16Å; R203-P246 VanDerWaalsContact CZ-CG 3.45Å; R203-F249 HydrophobicContact CB-CD1 3.67Å; R203-F249 HydrophobicContact CB-CE1 3.6Å; R203-F249 HydrophobicContact CG-CD1 4.24Å; R203-F249 HydrophobicContact CG-CE1 3.86Å; R203-F249 HydrophobicContact CG-CZ 4.34Å
204	N	85.5	Confident	84.6	Confident	108 Å²	108	64.4 Å²	64.4	58%	0.578	35%	0.35	S	S	*	.			trans	-102.8	107.9	161.5	-164.1	20.5	0	0	0	108.7	N160	N160-N204 PolarHBondContact ND2-O 2.79Å
205	P	81.6	Confident	84.9	Confident	20 Å²	20	59.8 Å²	59.8	13%	0.13	32%	0.319	C	S	.	.			trans	-64.1	155.4	178	24.8	-31.4	0	0	0	111.3	H212 K214	P205-H212 HydrophobicContact CB-CB 3.4Å; P205-H212 VanDerWaalsContact CB-CB 3.4Å; P205-H212 HydrophobicContact CG-CB 3.98Å; P205-K214 VanDerWaalsContact CD-CA 3.44Å; P205-K214 HydrophobicContact CG-CB 4.37Å
206	S	76.6	Confident	85.1	Confident	30 Å²	30	64 Å²	64	21%	0.21	34%	0.338	C	S	.	.			trans	-63.2	145.5	173.7	176.1	0	0	0	0	109.6	N160 F208 A209	N160-S206 PolarHBondContact ND2-N 2.8Å; S206-F208 PolarHBondContact O-N 2.87Å; S206-F208 VanDerWaalsContact O-N 3.14Å; S206-F208 WeakPolarHBondContact OG-CD2 3.1Å; S206-F208 PolarHBondContact OG-N 3.18Å; S206-A209 WeakPolarHBondContact O-CB 2.83Å; S206-A209 PolarHBondContact O-N 3.28Å
207	I	75.5	Confident	85	Confident	158 Å²	158	64.2 Å²	64.2	81%	0.81	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-20.5	173.7	61.5	171.9	0	0	0	112.7
208	F	72.1	Confident	85	Confident	102 Å²	102	69.1 Å²	69.1	45%	0.447	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-8.2	177.2	-52.6	-68.7	0	0	0	113.1	W144 S206 T210	W144-F208 HydrophobicContact CZ2-CD2 4.27Å; W144-F208 HydrophobicContact CZ2-CE2 4.09Å; S206-F208 PolarHBondContact O-N 2.87Å; S206-F208 VanDerWaalsContact O-N 3.14Å; S206-F208 WeakPolarHBondContact OG-CD2 3.1Å; S206-F208 PolarHBondContact OG-N 3.18Å; F208-T210 PolarHBondContact O-N 2.84Å
209	A	73.1	Confident	85	Confident	19 Å²	19	65.8 Å²	65.8	16%	0.157	35%	0.352	C	S	.	.	S	Bend	trans	-89.2	94.8	-175.7	0	0	0	0	0	110.6	S206 N211 H212	S206-A209 WeakPolarHBondContact O-CB 2.83Å; S206-A209 PolarHBondContact O-N 3.28Å; A209-N211 PolarHBondContact O-N 2.82Å; A209-H212 HydrophobicContact CB-CB 3.97Å; A209-H212 PolarHBondContact O-N 2.77Å
210	T	78.5	Confident	85.2	Confident	111 Å²	111	73 Å²	73	68%	0.681	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	128.7	-177.7	-44.6	0	0	0	0	111.8	F208 H212	F208-T210 PolarHBondContact O-N 2.84Å; T210-H212 VanDerWaalsContact C-N 3.3Å; T210-H212 PolarHBondContact O-CD2 2.85Å; T210-H212 VanDerWaalsContact O-CD2 3.29Å; T210-H212 PolarHBondContact O-N 2.87Å
211	N	85.9	Confident	85.4	Confident	126 Å²	126	69.7 Å²	69.7	67%	0.674	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	67	16.9	-179.9	-54.8	-25.1	0	0	0	115.6	A209 G243 L244	A209-N211 PolarHBondContact O-N 2.82Å; N211-G243 CarbonylContact O-C 3.39Å; N211-G243 WeakPolarHBondContact O-CA 3.42Å; N211-L244 PolarHBondContact O-N 2.91Å
212	H	88.8	Confident	85.9	Confident	39 Å²	39	67.1 Å²	67.1	18%	0.181	36%	0.359	C	S	.	.	B	Isolated β-bridge	trans	-84.2	138.2	175.1	-74	-131.2	0	0	0	111.5	R203 P205 A209 T210 F231	R203-H212 PolarHBondContact NH1-ND1 3.14Å; R203-H212 PolarHBondContact NH2-ND1 3.31Å; P205-H212 HydrophobicContact CB-CB 3.4Å; P205-H212 VanDerWaalsContact CB-CB 3.4Å; P205-H212 HydrophobicContact CG-CB 3.98Å; A209-H212 HydrophobicContact CB-CB 3.97Å; A209-H212 PolarHBondContact O-N 2.77Å; T210-H212 VanDerWaalsContact C-N 3.3Å; T210-H212 PolarHBondContact O-CD2 2.85Å; T210-H212 VanDerWaalsContact O-CD2 3.29Å; T210-H212 PolarHBondContact O-N 2.87Å; H212-F231 AromaticContact CE1-CE1 3.4Å; H212-F231 WeakPolarHBondContact CE1-CE1 3.35Å; H212-F231 AromaticContact CE1-CZ 3.7Å; H212-F231 AromaticContact ND1-CE1 3.81Å
213	L	90.3	Very high	86	Confident	13 Å²	13	64.2 Å²	64.2	7%	0.068	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-94.5	131.3	-179.1	-175.5	62.9	0	0	0	111.5	V215 V234 R236 V241 L244 V245	L213-V215 HydrophobicContact CD2-CG1 4.1Å; L213-V215 HydrophobicContact CG-CG1 4.1Å; L213-V234 HydrophobicContact CD2-CG2 3.75Å; L213-R236 HydrophobicContact CD2-CB 4.2Å; L213-V241 HydrophobicContact CD1-CB 4.13Å; L213-V241 HydrophobicContact CD1-CG2 3.5Å; L213-V241 VanDerWaalsContact CD1-CG2 3.5Å; L213-L244 PolarHBondContact N-O 2.87Å; L213-V245 HydrophobicContact CB-CG2 3.83Å; L213-V245 HydrophobicContact CD2-CG2 4.34Å; L213-V245 HydrophobicContact CG-CG2 4.46Å
214	K	91.5	Very high	86.4	Confident	104 Å²	104	69.5 Å²	69.5	45%	0.452	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-71	126.4	165.5	-178.6	-173.7	171.6	-162.7	0	108.9	R203 P205 E216 R236	R203-K214 WeakPolarHBondContact O-CA 3.36Å; R203-K214 WeakPolarHBondContact O-CG 3.49Å; P205-K214 VanDerWaalsContact CD-CA 3.44Å; P205-K214 HydrophobicContact CG-CB 4.37Å; K214-E216 IonicContact NZ-OE1 2.82Å; K214-E216 PolarHBondContact NZ-OE1 3.42Å; K214-R236 PolarHBondContact O-NH1 3.22Å
215	V	91	Very high	86.5	Confident	1 Å²	1	69.5 Å²	69.5	1%	0.006	35%	0.35	C	S	.	.	B	Isolated β-bridge	trans	-128.8	148.2	179	-67.9	0	0	0	0	111.4	V199 A202 R203 L213 D219 V245	V199-V215 HydrophobicContact CB-CB 4.47Å; V199-V215 HydrophobicContact CG1-CB 3.96Å; V199-V215 HydrophobicContact CG1-CG2 3.79Å; V199-V215 HydrophobicContact CG2-CB 3.83Å; V199-V215 HydrophobicContact CG2-CG1 4.04Å; V199-V215 HydrophobicContact CG2-CG2 4.2Å; A202-V215 CarbonylContact C-O 3.49Å; A202-V215 WeakPolarHBondContact CA-O 3.43Å; R203-V215 HydrophobicContact CB-CG2 3.7Å; R203-V215 PolarHBondContact N-O 2.57Å; R203-V215 PolarHBondContact O-N 3.29Å; L213-V215 HydrophobicContact CD2-CG1 4.1Å; L213-V215 HydrophobicContact CG-CG1 4.1Å; V215-D219 WeakPolarHBondContact CA-OD2 3.33Å; V215-V245 HydrophobicContact CG1-CG1 4.49Å; V215-V245 HydrophobicContact CG1-CG2 3.68Å; V215-V245 HydrophobicContact CG2-CG1 4.19Å
216	E	91.6	Very high	86.6	Confident	99 Å²	99	69.2 Å²	69.2	46%	0.463	35%	0.347	S	S	.	.			trans	-112.5	158.2	174.7	-61	-170.6	172.2	0	0	110.1	V199 K214 D218 D219	V199-E216 VanDerWaalsContact CB-O 3.25Å; V199-E216 WeakPolarHBondContact CB-O 3.45Å; V199-E216 WeakPolarHBondContact CG1-O 3.34Å; K214-E216 IonicContact NZ-OE1 2.82Å; K214-E216 PolarHBondContact NZ-OE1 3.42Å; E216-D218 PolarHBondContact O-N 3.4Å; E216-D219 PolarHBondContact N-OD2 3.21Å; E216-D219 VanDerWaalsContact O-CB 3.31Å; E216-D219 WeakPolarHBondContact O-CB 3.23Å; E216-D219 VanDerWaalsContact O-CG 3.23Å; E216-D219 PolarHBondContact O-N 2.87Å; E216-D219 VanDerWaalsContact O-N 3.16Å
217	C	89.4	Confident	86.8	Confident	68 Å²	68	69.3 Å²	69.3	46%	0.459	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	140.6	176.2	-67.3	0	0	0	0	109.6	A202 D219	A202-C217 PolarHBondContact N-SG 2.76Å; C217-D219 PolarHBondContact O-N 2.78Å
218	D	89.6	Confident	86.5	Confident	108 Å²	108	67.1 Å²	67.1	58%	0.578	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.1	5	-177.1	-55.1	-66.5	0	0	0	116.5	K198 V199 E216 E220	K198-D218 VanDerWaalsContact CE-CA 3.41Å; K198-D218 VanDerWaalsContact CE-CB 3.44Å; K198-D218 WeakPolarHBondContact CE-OD1 3.38Å; K198-D218 IonicContact NZ-OD1 2.65Å; K198-D218 PolarHBondContact NZ-OD1 3.08Å; V199-D218 PolarHBondContact O-N 3.43Å; E216-D218 PolarHBondContact O-N 3.4Å; D218-E220 PolarHBondContact O-N 3.49Å
219	D	91.9	Very high	86.5	Confident	5 Å²	5	66.3 Å²	66.3	3%	0.027	34%	0.341	C	S	.	.			trans	-58.6	129.8	167.9	-77	0.9	0	0	0	110.9	K198 V199 V215 E216 C217 R236 R238	K198-D219 WeakPolarHBondContact CA-O 3.33Å; V199-D219 HydrophobicContact CB-CB 3.96Å; V199-D219 HydrophobicContact CG2-CB 3.74Å; V199-D219 WeakPolarHBondContact CG2-O 3.49Å; V199-D219 PolarHBondContact N-O 3.48Å; V215-D219 WeakPolarHBondContact CA-OD2 3.33Å; E216-D219 PolarHBondContact N-OD2 3.21Å; E216-D219 VanDerWaalsContact O-CB 3.31Å; E216-D219 WeakPolarHBondContact O-CB 3.23Å; E216-D219 VanDerWaalsContact O-CG 3.23Å; E216-D219 PolarHBondContact O-N 2.87Å; E216-D219 VanDerWaalsContact O-N 3.16Å; C217-D219 PolarHBondContact O-N 2.78Å; D219-R236 IonicContact OD2-CZ 2.72Å; D219-R236 IonicContact OD2-NH1 2.74Å; D219-R236 PolarHBondContact OD2-NH1 2.89Å; D219-R238 IonicContact OD1-CZ 3.71Å; D219-R238 IonicContact OD1-NH1 3.95Å; D219-R238 PolarHBondContact OD1-NH1 3.37Å; D219-R238 IonicContact OD1-NH2 2.87Å; D219-R238 PolarHBondContact OD1-NH2 3.26Å; D219-R238 IonicContact OD2-CZ 2.77Å; D219-R238 IonicContact OD2-NH1 2.8Å; D219-R238 IonicContact OD2-NH2 3.13Å; D219-R238 PolarHBondContact OD2-NH2 3.11Å
220	E	92.7	Very high	86.6	Confident	153 Å²	153	65.5 Å²	65.5	72%	0.715	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88	132.2	169.6	-69.6	-178.2	-178.7	0	0	110.5	D218	D218-E220 PolarHBondContact O-N 3.49Å
221	V	93.4	Very high	86.9	Confident	5 Å²	5	60.8 Å²	60.8	3%	0.03	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	145	-180	-60.2	0	0	0	0	111	G197 V199 V234 W235 R236 L250	G197-V221 PolarHBondContact N-O 3Å; G197-V221 PolarHBondContact O-N 2.78Å; V199-V221 HydrophobicContact CG2-CG1 4.37Å; V221-V234 HydrophobicContact CB-CB 4.04Å; V221-V234 HydrophobicContact CB-CG2 4.32Å; V221-V234 HydrophobicContact CG1-CG2 4.37Å; V221-V234 HydrophobicContact CG2-CB 4.14Å; V221-V234 HydrophobicContact CG2-CG1 4.12Å; V221-W235 WeakPolarHBondContact CA-O 2.91Å; V221-R236 HydrophobicContact CG1-CB 4.13Å; V221-R236 HydrophobicContact CG1-CG 4.34Å; V221-L250 HydrophobicContact CG2-CD1 4.49Å; V221-L250 HydrophobicContact CG2-CD2 3.62Å
222	Q	92.9	Very high	86.9	Confident	70 Å²	70	54.8 Å²	54.8	33%	0.327	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	119.9	169.1	-72.2	-171.4	-18.7	0	0	109.8	A195 R224 V234 W235	A195-Q222 CarbonylContact O-C 3.53Å; A195-Q222 WeakPolarHBondContact O-CA 3.44Å; Q222-R224 PolarHBondContact O-N 3.44Å; Q222-V234 CarbonylContact O-C 3.58Å; Q222-V234 VanDerWaalsContact O-CA 3.25Å; Q222-V234 WeakPolarHBondContact O-CA 3.42Å; Q222-W235 HydrophobicContact CB-CB 4.41Å; Q222-W235 PolarHBondContact N-O 2.7Å; Q222-W235 PolarHBondContact O-N 2.69Å
223	I	91.2	Very high	87.1	Confident	0 Å²	0	57 Å²	57	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	117.2	176.3	-58.7	142.1	0	0	0	107.7	L193 P194 A195 L226 C232 V234 L250 I252	L193-I223 HydrophobicContact CD2-CB 4.26Å; L193-I223 HydrophobicContact CD2-CG2 3.78Å; L193-I223 WeakPolarHBondContact CD2-O 3.35Å; P194-I223 VanDerWaalsContact CA-O 3.28Å; P194-I223 WeakPolarHBondContact CA-O 3.22Å; A195-I223 HydrophobicContact CB-CD1 4.4Å; A195-I223 PolarHBondContact N-O 2.77Å; A195-I223 VanDerWaalsContact N-O 3.14Å; A195-I223 PolarHBondContact O-N 3.42Å; I223-L226 HydrophobicContact CG2-CD2 3.75Å; I223-L226 HydrophobicContact CG2-CG 4.38Å; I223-C232 HydrophobicContact CG2-CB 4.11Å; I223-V234 HydrophobicContact CG1-CG1 4.04Å; I223-L250 HydrophobicContact CD1-CD1 4.48Å; I223-L250 HydrophobicContact CG1-CD1 4.14Å; I223-I252 HydrophobicContact CD1-CB 4.14Å; I223-I252 HydrophobicContact CD1-CD1 3.9Å; I223-I252 HydrophobicContact CD1-CG1 3.6Å; I223-I252 HydrophobicContact CD1-CG2 3.82Å
224	R	90.3	Very high	87.3	Confident	120 Å²	120	56.4 Å²	56.4	45%	0.453	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	-32.3	-178.4	-66.7	-172.9	174.1	-178.9	1.3	112.7	Q222 E233 W235	Q222-R224 PolarHBondContact O-N 3.44Å; R224-E233 PolarHBondContact N-O 2.86Å; R224-W235 VanDerWaalsContact NH2-CG 3.26Å
225	K	88.9	Confident	87.4	Confident	109 Å²	109	54.4 Å²	54.4	47%	0.474	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	139.7	-178.8	-162.9	175	179.6	179.5	0	110.6	L227 C232 E233	K225-L227 HydrophobicContact CD-CD2 3.92Å; K225-L227 HydrophobicContact CG-CD2 4.17Å; K225-C232 CarbonylContact O-C 3.53Å; K225-C232 VanDerWaalsContact O-CA 3.3Å; K225-C232 WeakPolarHBondContact O-CA 3.2Å; K225-E233 HydrophobicContact CB-CB 3.82Å; K225-E233 PolarHBondContact N-O 2.92Å; K225-E233 PolarHBondContact O-N 2.87Å
226	L	84	Confident	87.5	Confident	14 Å²	14	55.4 Å²	55.4	7%	0.073	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	122.9	169.6	-63.3	176.4	0	0	0	108.1	L188 V191 L193 I223 C232 I247 I252	L188-L226 HydrophobicContact CD2-CB 3.46Å; L188-L226 VanDerWaalsContact CD2-CB 3.46Å; L188-L226 HydrophobicContact CD2-CD1 4.26Å; L188-L226 HydrophobicContact CG-CB 4.49Å; V191-L226 HydrophobicContact CB-CD1 4.25Å; L193-L226 HydrophobicContact CD1-CG 4.25Å; L193-L226 HydrophobicContact CD2-CG 4.45Å; I223-L226 HydrophobicContact CG2-CD2 3.75Å; I223-L226 HydrophobicContact CG2-CG 4.38Å; L226-C232 HydrophobicContact CD2-CB 4.27Å; L226-C232 WeakPolarHBondContact CD2-SG 3.36Å; L226-I247 HydrophobicContact CD2-CD1 4.02Å; L226-I252 HydrophobicContact CD2-CD1 4.39Å
227	L	81	Confident	87.4	Confident	32 Å²	32	56.6 Å²	56.6	17%	0.168	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	133.1	-176.3	-61.9	-179.6	0	0	0	111	Y184 K225 D229 G230 F231 L244	Y184-L227 PolarHBondContact OH-O 2.95Å; K225-L227 HydrophobicContact CD-CD2 3.92Å; K225-L227 HydrophobicContact CG-CD2 4.17Å; L227-D229 WeakPolarHBondContact CB-OD1 3.33Å; L227-D229 PolarHBondContact O-N 2.99Å; L227-D229 VanDerWaalsContact O-OD1 3.12Å; L227-G230 PolarHBondContact O-N 3.05Å; L227-F231 WeakPolarHBondContact CA-O 3.48Å; L227-F231 HydrophobicContact CB-CB 4.39Å; L227-F231 WeakPolarHBondContact CB-O 3.01Å; L227-F231 HydrophobicContact CD1-CB 4.15Å; L227-F231 PolarHBondContact N-O 3.07Å; L227-L244 HydrophobicContact CD1-CD1 4.44Å; L227-L244 HydrophobicContact CD1-CD2 3.53Å
228	P	68.5	Low	87.4	Confident	111 Å²	111	60.1 Å²	60.1	72%	0.721	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	-22	-171.7	-29.5	35	0	0	0	116.7	Y184 G230	Y184-P228 WeakPolarHBondContact CE1-O 3.44Å; Y184-P228 WeakPolarHBondContact OH-CA 3.29Å; P228-G230 VanDerWaalsContact C-N 3.26Å; P228-G230 PolarHBondContact O-N 2.66Å
229	D	71.4	Confident	87.4	Confident	85 Å²	85	58.6 Å²	58.6	46%	0.455	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-8.1	179.4	59.6	2.6	0	0	0	113.9	L227 F231	L227-D229 WeakPolarHBondContact CB-OD1 3.33Å; L227-D229 PolarHBondContact O-N 2.99Å; L227-D229 VanDerWaalsContact O-OD1 3.12Å; D229-F231 HydrophobicContact CB-CD2 4.45Å; D229-F231 WeakPolarHBondContact OD1-CB 3.18Å; D229-F231 PolarHBondContact OD1-N 2.93Å
230	G	75.6	Confident	87.3	Confident	3 Å²	3	63.9 Å²	63.9	3%	0.031	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	101.3	6.2	-178.1	0	0	0	0	0	114.2	L227 P228 I247	L227-G230 PolarHBondContact O-N 3.05Å; P228-G230 VanDerWaalsContact C-N 3.26Å; P228-G230 PolarHBondContact O-N 2.66Å; G230-I247 WeakPolarHBondContact O-CG2 3.37Å; G230-I247 PolarHBondContact O-N 3.08Å
231	F	84.1	Confident	87.3	Confident	12 Å²	12	59.2 Å²	59.2	5%	0.053	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	156.1	171.6	-72	-90.9	0	0	0	112.4	Y117 H212 L227 D229 L244 P246	Y117-F231 AromaticContact CD1-CE2 3.64Å; Y117-F231 HydrophobicContact CD1-CE2 3.64Å; Y117-F231 AromaticContact CD1-CZ 3.88Å; Y117-F231 HydrophobicContact CD1-CZ 3.88Å; Y117-F231 HydrophobicContact CD2-CZ 4.28Å; Y117-F231 AromaticContact CE1-CE2 3.99Å; Y117-F231 HydrophobicContact CE1-CE2 3.99Å; Y117-F231 AromaticContact CE1-CZ 3.96Å; Y117-F231 HydrophobicContact CE1-CZ 3.96Å; Y117-F231 HydrophobicContact CE2-CZ 4.35Å; Y117-F231 HydrophobicContact CG-CE2 4.11Å; Y117-F231 HydrophobicContact CG-CZ 4.09Å; H212-F231 AromaticContact CE1-CE1 3.4Å; H212-F231 WeakPolarHBondContact CE1-CE1 3.35Å; H212-F231 AromaticContact CE1-CZ 3.7Å; H212-F231 AromaticContact ND1-CE1 3.81Å; L227-F231 WeakPolarHBondContact CA-O 3.48Å; L227-F231 HydrophobicContact CB-CB 4.39Å; L227-F231 WeakPolarHBondContact CB-O 3.01Å; L227-F231 HydrophobicContact CD1-CB 4.15Å; L227-F231 PolarHBondContact N-O 3.07Å; D229-F231 HydrophobicContact CB-CD2 4.45Å; D229-F231 WeakPolarHBondContact OD1-CB 3.18Å; D229-F231 PolarHBondContact OD1-N 2.93Å; F231-L244 HydrophobicContact CD1-CB 4.04Å; F231-P246 HydrophobicContact CD1-CB 4.15Å; F231-P246 HydrophobicContact CD1-CG 4.12Å; F231-P246 HydrophobicContact CE1-CB 4.02Å; F231-P246 HydrophobicContact CE1-CG 3.67Å; F231-P246 HydrophobicContact CZ-CG 4.4Å
232	C	87.6	Confident	87.3	Confident	0 Å²	0	61 Å²	61	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	131.3	171.7	-57.4	0	0	0	0	108	I223 K225 L226 V234 L244 V245 L250	I223-C232 HydrophobicContact CG2-CB 4.11Å; K225-C232 CarbonylContact O-C 3.53Å; K225-C232 VanDerWaalsContact O-CA 3.3Å; K225-C232 WeakPolarHBondContact O-CA 3.2Å; L226-C232 HydrophobicContact CD2-CB 4.27Å; L226-C232 WeakPolarHBondContact CD2-SG 3.36Å; C232-V234 HydrophobicContact CB-CG1 3.8Å; C232-V234 PolarHBondContact O-N 3.42Å; C232-L244 WeakPolarHBondContact O-CA 3.39Å; C232-V245 WeakPolarHBondContact CB-O 3.43Å; C232-V245 PolarHBondContact N-O 3.29Å; C232-V245 PolarHBondContact O-N 2.76Å; C232-L250 HydrophobicContact CB-CD1 3.93Å
233	E	92.1	Very high	87.3	Confident	85 Å²	85	58 Å²	58	40%	0.397	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	113.6	163.5	-168.3	179.1	173.5	0	0	107.5	R224 K225 L244	R224-E233 PolarHBondContact N-O 2.86Å; K225-E233 HydrophobicContact CB-CB 3.82Å; K225-E233 PolarHBondContact N-O 2.92Å; K225-E233 PolarHBondContact O-N 2.87Å; E233-L244 HydrophobicContact CB-CD2 4.29Å
234	V	93.8	Very high	87.3	Confident	1 Å²	1	59.6 Å²	59.6	1%	0.006	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	154	-176.9	-54	0	0	0	0	111.4	L213 V221 Q222 I223 C232 G242 G243 V245 L250	L213-V234 HydrophobicContact CD2-CG2 3.75Å; V221-V234 HydrophobicContact CB-CB 4.04Å; V221-V234 HydrophobicContact CB-CG2 4.32Å; V221-V234 HydrophobicContact CG1-CG2 4.37Å; V221-V234 HydrophobicContact CG2-CB 4.14Å; V221-V234 HydrophobicContact CG2-CG1 4.12Å; Q222-V234 CarbonylContact O-C 3.58Å; Q222-V234 VanDerWaalsContact O-CA 3.25Å; Q222-V234 WeakPolarHBondContact O-CA 3.42Å; I223-V234 HydrophobicContact CG1-CG1 4.04Å; C232-V234 HydrophobicContact CB-CG1 3.8Å; C232-V234 PolarHBondContact O-N 3.42Å; V234-G242 CarbonylContact O-C 3.58Å; V234-G242 VanDerWaalsContact O-CA 3.24Å; V234-G242 WeakPolarHBondContact O-CA 3.3Å; V234-G243 WeakPolarHBondContact CG2-O 3.32Å; V234-G243 PolarHBondContact N-O 3.17Å; V234-G243 PolarHBondContact O-N 3.34Å; V234-V245 HydrophobicContact CG1-CB 4.3Å; V234-V245 HydrophobicContact CG2-CB 4Å; V234-V245 HydrophobicContact CG2-CG2 3.44Å; V234-V245 VanDerWaalsContact CG2-CG2 3.44Å; V234-L250 HydrophobicContact CG1-CD1 3.76Å
235	W	94.3	Very high	87.2	Confident	61 Å²	61	53.9 Å²	53.9	23%	0.231	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	123.1	174	-174.9	-98	0	0	0	109.3	V221 Q222 R224 Q240	V221-W235 WeakPolarHBondContact CA-O 2.91Å; Q222-W235 HydrophobicContact CB-CB 4.41Å; Q222-W235 PolarHBondContact N-O 2.7Å; Q222-W235 PolarHBondContact O-N 2.69Å; R224-W235 VanDerWaalsContact NH2-CG 3.26Å; W235-Q240 WeakPolarHBondContact CH2-O 3.35Å; W235-Q240 HydrophobicContact CZ2-CB 4.18Å
236	R	93.2	Very high	87	Confident	22 Å²	22	48.7 Å²	48.7	8%	0.083	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	109	175.6	-172.4	166.5	69.3	-148.4	-10.2	109.3	L213 K214 D219 V221 R238 D239 Q240 V241	L213-R236 HydrophobicContact CD2-CB 4.2Å; K214-R236 PolarHBondContact O-NH1 3.22Å; D219-R236 IonicContact OD2-CZ 2.72Å; D219-R236 IonicContact OD2-NH1 2.74Å; D219-R236 PolarHBondContact OD2-NH1 2.89Å; V221-R236 HydrophobicContact CG1-CB 4.13Å; V221-R236 HydrophobicContact CG1-CG 4.34Å; R236-R238 HydrophobicContact CG-CG 3.66Å; R236-R238 VanDerWaalsContact CZ-NH2 3.34Å; R236-R238 PolarHBondContact O-N 3.05Å; R236-D239 IonicContact CZ-OD2 3.74Å; R236-D239 IonicContact NE-OD2 2.68Å; R236-D239 PolarHBondContact NE-OD2 3.29Å; R236-D239 IonicContact NH2-OD2 3.04Å; R236-D239 PolarHBondContact NH2-OD2 3.25Å; R236-D239 PolarHBondContact O-N 3.02Å; R236-Q240 PolarHBondContact O-N 3.13Å; R236-Q240 VanDerWaalsContact O-N 3.07Å; R236-V241 HydrophobicContact CB-CG2 4.24Å; R236-V241 PolarHBondContact N-O 3.46Å; R236-V241 PolarHBondContact O-N 2.65Å
237	E	90.3	Very high	86.9	Confident	125 Å²	125	49 Å²	49	58%	0.584	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-65.4	-38.8	-170.8	-172.4	163.7	-158.5	0	0	113.2	D239 Q240	E237-D239 PolarHBondContact O-N 3.02Å; E237-D239 VanDerWaalsContact O-N 3.16Å; E237-Q240 PolarHBondContact O-N 2.98Å; E237-Q240 PolarHBondContact O-NE2 2.92Å
238	R	89.6	Confident	86.7	Confident	141 Å²	141	49.8 Å²	49.8	53%	0.532	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-55.7	-35	-178.6	61.4	152	-167	-125.5	1.2	114.6	D219 R236	D219-R238 IonicContact OD1-CZ 3.71Å; D219-R238 IonicContact OD1-NH1 3.95Å; D219-R238 PolarHBondContact OD1-NH1 3.37Å; D219-R238 IonicContact OD1-NH2 2.87Å; D219-R238 PolarHBondContact OD1-NH2 3.26Å; D219-R238 IonicContact OD2-CZ 2.77Å; D219-R238 IonicContact OD2-NH1 2.8Å; D219-R238 IonicContact OD2-NH2 3.13Å; D219-R238 PolarHBondContact OD2-NH2 3.11Å; R236-R238 HydrophobicContact CG-CG 3.66Å; R236-R238 VanDerWaalsContact CZ-NH2 3.34Å; R236-R238 PolarHBondContact O-N 3.05Å
239	D	89.5	Confident	87.5	Confident	76 Å²	76	45.4 Å²	45.4	41%	0.406	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-113.4	-1.7	-175	-51.4	-34.1	0	0	0	111.9	R236 E237 V241	R236-D239 IonicContact CZ-OD2 3.74Å; R236-D239 IonicContact NE-OD2 2.68Å; R236-D239 PolarHBondContact NE-OD2 3.29Å; R236-D239 IonicContact NH2-OD2 3.04Å; R236-D239 PolarHBondContact NH2-OD2 3.25Å; R236-D239 PolarHBondContact O-N 3.02Å; E237-D239 PolarHBondContact O-N 3.02Å; E237-D239 VanDerWaalsContact O-N 3.16Å; D239-V241 VanDerWaalsContact C-N 3.27Å; D239-V241 HydrophobicContact CB-CG1 4.41Å; D239-V241 HydrophobicContact CB-CG2 3.92Å; D239-V241 PolarHBondContact O-N 3.36Å
240	Q	90.1	Very high	88.2	Confident	117 Å²	117	42 Å²	42	55%	0.547	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.3	40.7	-175.8	-61.4	-69.8	-55.8	0	0	113.5	W235 R236 E237	W235-Q240 WeakPolarHBondContact CH2-O 3.35Å; W235-Q240 HydrophobicContact CZ2-CB 4.18Å; R236-Q240 PolarHBondContact O-N 3.13Å; R236-Q240 VanDerWaalsContact O-N 3.07Å; E237-Q240 PolarHBondContact O-N 2.98Å; E237-Q240 PolarHBondContact O-NE2 2.92Å
241	V	92.7	Very high	88.7	Confident	54 Å²	54	48.6 Å²	48.6	33%	0.327	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	139.6	179.8	-66.1	0	0	0	0	111.3	L213 R236 D239	L213-V241 HydrophobicContact CD1-CB 4.13Å; L213-V241 HydrophobicContact CD1-CG2 3.5Å; L213-V241 VanDerWaalsContact CD1-CG2 3.5Å; R236-V241 HydrophobicContact CB-CG2 4.24Å; R236-V241 PolarHBondContact N-O 3.46Å; R236-V241 PolarHBondContact O-N 2.65Å; D239-V241 VanDerWaalsContact C-N 3.27Å; D239-V241 HydrophobicContact CB-CG1 4.41Å; D239-V241 HydrophobicContact CB-CG2 3.92Å; D239-V241 PolarHBondContact O-N 3.36Å
242	G	92.3	Very high	88.7	Confident	42 Å²	42	49.2 Å²	49.2	43%	0.433	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	156.1	172.6	0	0	0	0	0	111.9	V234	V234-G242 CarbonylContact O-C 3.58Å; V234-G242 VanDerWaalsContact O-CA 3.24Å; V234-G242 WeakPolarHBondContact O-CA 3.3Å
243	G	92.5	Very high	88.2	Confident	8 Å²	8	54.5 Å²	54.5	8%	0.082	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	173.4	-175.1	168.8	0	0	0	0	0	113.6	N211 V234	N211-G243 CarbonylContact O-C 3.39Å; N211-G243 WeakPolarHBondContact O-CA 3.42Å; V234-G243 WeakPolarHBondContact CG2-O 3.32Å; V234-G243 PolarHBondContact N-O 3.17Å; V234-G243 PolarHBondContact O-N 3.34Å
244	L	91.2	Very high	86.9	Confident	34 Å²	34	54 Å²	54	18%	0.178	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	119.9	-177.3	-60.1	-179.6	0	0	0	110.4	R203 N211 L213 L227 F231 C232 E233	R203-L244 PolarHBondContact NH1-O 3.21Å; R203-L244 VanDerWaalsContact NH1-O 3.16Å; N211-L244 PolarHBondContact O-N 2.91Å; L213-L244 PolarHBondContact N-O 2.87Å; L227-L244 HydrophobicContact CD1-CD1 4.44Å; L227-L244 HydrophobicContact CD1-CD2 3.53Å; F231-L244 HydrophobicContact CD1-CB 4.04Å; C232-L244 WeakPolarHBondContact O-CA 3.39Å; E233-L244 HydrophobicContact CB-CD2 4.29Å
245	V	89	Confident	85.1	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	136.3	172.5	179.6	0	0	0	0	108.2	L213 V215 C232 V234 F249 L250	L213-V245 HydrophobicContact CB-CG2 3.83Å; L213-V245 HydrophobicContact CD2-CG2 4.34Å; L213-V245 HydrophobicContact CG-CG2 4.46Å; V215-V245 HydrophobicContact CG1-CG1 4.49Å; V215-V245 HydrophobicContact CG1-CG2 3.68Å; V215-V245 HydrophobicContact CG2-CG1 4.19Å; C232-V245 WeakPolarHBondContact CB-O 3.43Å; C232-V245 PolarHBondContact N-O 3.29Å; C232-V245 PolarHBondContact O-N 2.76Å; V234-V245 HydrophobicContact CG1-CB 4.3Å; V234-V245 HydrophobicContact CG2-CB 4Å; V234-V245 HydrophobicContact CG2-CG2 3.44Å; V234-V245 VanDerWaalsContact CG2-CG2 3.44Å; V245-F249 HydrophobicContact CG1-CB 3.99Å; V245-L250 HydrophobicContact CB-CD1 4.36Å; V245-L250 HydrophobicContact CG1-CD1 4.19Å; V245-L250 HydrophobicContact CG1-CD2 3.86Å; V245-L250 HydrophobicContact CG1-CG 3.92Å
246	P	84	Confident	84.6	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	142.3	-178	-4.2	24.5	0	0	0	110	Y117 R203 F231 N248 F249	Y117-P246 HydrophobicContact CE1-CB 3.78Å; Y117-P246 HydrophobicContact CE1-CG 4.45Å; Y117-P246 HydrophobicContact CE2-CB 4.45Å; Y117-P246 HydrophobicContact CE2-CG 4.33Å; Y117-P246 VanDerWaalsContact CZ-CB 3.43Å; Y117-P246 WeakPolarHBondContact OH-CB 2.92Å; Y117-P246 VanDerWaalsContact OH-CG 3.23Å; Y117-P246 WeakPolarHBondContact OH-CG 3.32Å; R203-P246 VanDerWaalsContact CZ-CG 3.45Å; F231-P246 HydrophobicContact CD1-CB 4.15Å; F231-P246 HydrophobicContact CD1-CG 4.12Å; F231-P246 HydrophobicContact CE1-CB 4.02Å; F231-P246 HydrophobicContact CE1-CG 3.67Å; F231-P246 HydrophobicContact CZ-CG 4.4Å; P246-N248 WeakPolarHBondContact CB-OD1 3.32Å; P246-N248 PolarHBondContact O-N 2.84Å; P246-N248 VanDerWaalsContact O-N 3.07Å; P246-F249 HydrophobicContact CB-CD2 3.88Å; P246-F249 HydrophobicContact CB-CE2 4.34Å; P246-F249 HydrophobicContact CG-CD2 3.68Å; P246-F249 HydrophobicContact CG-CE2 3.94Å; P246-F249 HydrophobicContact CG-CG 4.4Å; P246-F249 WeakPolarHBondContact O-CB 3.41Å; P246-F249 PolarHBondContact O-N 3.17Å
247	I	82.5	Confident	84.1	Confident	20 Å²	20	67.2 Å²	67.2	10%	0.103	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-59.3	-29.5	-171.3	-162.7	164.8	0	0	0	113.6	Y184 M187 L226 G230 F249 L250 I252	Y184-I247 HydrophobicContact CD2-CD1 3.95Å; Y184-I247 HydrophobicContact CD2-CG2 4.08Å; Y184-I247 HydrophobicContact CE2-CD1 4.09Å; Y184-I247 HydrophobicContact CE2-CG2 4.48Å; M187-I247 HydrophobicContact CE-CD1 3.34Å; M187-I247 HydrophobicContact CE-CG1 3.88Å; M187-I247 HydrophobicContact SD-CD1 3.94Å; M187-I247 HydrophobicContact SD-CG1 4.49Å; L226-I247 HydrophobicContact CD2-CD1 4.02Å; G230-I247 WeakPolarHBondContact O-CG2 3.37Å; G230-I247 PolarHBondContact O-N 3.08Å; I247-F249 PolarHBondContact O-N 3.06Å; I247-L250 PolarHBondContact O-N 2.99Å; I247-L250 VanDerWaalsContact O-N 3.08Å; I247-L250 VanDerWaalsContact O-O 3.07Å; I247-I252 HydrophobicContact CD1-CD1 4.16Å; I247-I252 HydrophobicContact CG1-CD1 4.2Å
248	N	77.5	Confident	83.8	Confident	48 Å²	48	63.9 Å²	63.9	26%	0.257	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-74.1	-6.7	178	62.4	-44.9	0	0	0	114.4	Y117 P246	Y117-N248 PolarHBondContact OH-OD1 3.46Å; P246-N248 WeakPolarHBondContact CB-OD1 3.32Å; P246-N248 PolarHBondContact O-N 2.84Å; P246-N248 VanDerWaalsContact O-N 3.07Å
249	F	85.2	Confident	83.5	Confident	20 Å²	20	59.4 Å²	59.4	9%	0.088	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-92.4	-6.5	170.5	-72.4	-112.8	0	0	0	111.5	V199 V200 R201 R203 V245 P246 I247	V199-F249 CarbonylContact C-O 3.6Å; V199-F249 WeakPolarHBondContact CA-O 3.33Å; V200-F249 WeakPolarHBondContact CG2-O 3.36Å; V200-F249 PolarHBondContact N-O 3.39Å; R201-F249 HydrophobicContact CB-CD1 3.65Å; R201-F249 HydrophobicContact CB-CE1 4.01Å; R201-F249 HydrophobicContact CB-CG 4.32Å; R201-F249 WeakPolarHBondContact O-CD1 3.14Å; R203-F249 HydrophobicContact CB-CD1 3.67Å; R203-F249 HydrophobicContact CB-CE1 3.6Å; R203-F249 HydrophobicContact CG-CD1 4.24Å; R203-F249 HydrophobicContact CG-CE1 3.86Å; R203-F249 HydrophobicContact CG-CZ 4.34Å; V245-F249 HydrophobicContact CG1-CB 3.99Å; P246-F249 HydrophobicContact CB-CD2 3.88Å; P246-F249 HydrophobicContact CB-CE2 4.34Å; P246-F249 HydrophobicContact CG-CD2 3.68Å; P246-F249 HydrophobicContact CG-CE2 3.94Å; P246-F249 HydrophobicContact CG-CG 4.4Å; P246-F249 WeakPolarHBondContact O-CB 3.41Å; P246-F249 PolarHBondContact O-N 3.17Å; I247-F249 PolarHBondContact O-N 3.06Å
250	L	86.1	Confident	83.1	Confident	14 Å²	14	58.4 Å²	58.4	7%	0.073	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	142.3	-176.5	-57.1	175.4	0	0	0	110.7	K198 V199 V221 I223 C232 V234 V245 I247	K198-L250 CarbonylContact O-C 3.58Å; K198-L250 WeakPolarHBondContact O-CA 3.48Å; V199-L250 HydrophobicContact CG2-CD2 3.63Å; V221-L250 HydrophobicContact CG2-CD1 4.49Å; V221-L250 HydrophobicContact CG2-CD2 3.62Å; I223-L250 HydrophobicContact CD1-CD1 4.48Å; I223-L250 HydrophobicContact CG1-CD1 4.14Å; C232-L250 HydrophobicContact CB-CD1 3.93Å; V234-L250 HydrophobicContact CG1-CD1 3.76Å; V245-L250 HydrophobicContact CB-CD1 4.36Å; V245-L250 HydrophobicContact CG1-CD1 4.19Å; V245-L250 HydrophobicContact CG1-CD2 3.86Å; V245-L250 HydrophobicContact CG1-CG 3.92Å; I247-L250 PolarHBondContact O-N 2.99Å; I247-L250 VanDerWaalsContact O-N 3.08Å; I247-L250 VanDerWaalsContact O-O 3.07Å
251	K	85.8	Confident	82.6	Confident	141 Å²	141	54.5 Å²	54.5	61%	0.613	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.3	107	160.7	-178.7	-178.2	-179.6	-171.1	0	106.9	G197 K198 V200	G197-K251 CarbonylContact C-O 3.57Å; G197-K251 VanDerWaalsContact CA-O 3.23Å; G197-K251 WeakPolarHBondContact CA-O 3.41Å; K198-K251 PolarHBondContact N-O 2.75Å; K198-K251 PolarHBondContact O-N 2.85Å; V200-K251 HydrophobicContact CG1-CB 3.62Å
252	I	84.2	Confident	81.9	Confident	25 Å²	25	54.5 Å²	54.5	13%	0.128	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	131.4	179.3	-48.6	-174.3	0	0	0	108.3	M187 V191 A195 I223 L226 I247 C254	M187-I252 HydrophobicContact SD-CD1 4.02Å; V191-I252 HydrophobicContact CG1-CG2 3.95Å; V191-I252 HydrophobicContact CG2-CD1 4.45Å; V191-I252 HydrophobicContact CG2-CG2 4.34Å; A195-I252 HydrophobicContact CB-CG2 3.87Å; I223-I252 HydrophobicContact CD1-CB 4.14Å; I223-I252 HydrophobicContact CD1-CD1 3.9Å; I223-I252 HydrophobicContact CD1-CG1 3.6Å; I223-I252 HydrophobicContact CD1-CG2 3.82Å; L226-I252 HydrophobicContact CD2-CD1 4.39Å; I247-I252 HydrophobicContact CD1-CD1 4.16Å; I247-I252 HydrophobicContact CG1-CD1 4.2Å; I252-C254 PolarHBondContact O-N 2.68Å
253	E	77.7	Confident	81.1	Confident	110 Å²	110	55.5 Å²	55.5	51%	0.514	29%	0.288	S	S	.	.			trans	-85.2	107.2	170.1	-64.8	179	159.8	0	0	107.7	T196	T196-E253 PolarHBondContact O-N 3.12Å; T196-E253 PolarHBondContact OG1-OE2 3.1Å
254	C	64	Low	80.1	Confident	74 Å²	74	59.4 Å²	59.4	50%	0.5	31%	0.306	S	S	.	.			trans	-84.9	118.6	169.4	-59.8	0	0	0	0	107.7	I252	I252-C254 PolarHBondContact O-N 2.68Å
255	N	54.7	Low	79.1	Confident	227 Å²	227	61.7 Å²	61.7	100%	1.214	32%	0.317	S	S	*	.			trans	-73.4	0	162.3	-74.2	-16.9	0	0	0	110.9

Retrieved 255 of 255 residues in 947.6 ms (Link to these results)

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