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Kelch repeat and BTB domain-containing protein 2

Substrate-specific adapter of a BCR (BTB-CUL3-RBX1) E3 ubiquitin ligase complex that acts as a regulator of the insulin signaling pathway, modulating insulin sensitivity by limiting PIK3R1/p85alpha abundance in adipocytes. Targets PIK3R1, the regulatory subunit of phosphatidylinositol 3-kinase (PI3K), for 'Lys-48'-linked polyubiquitination and proteasome-mediated degradation.

AlphaFold DB , UniProt , Accession Q8IY47, Species HUMAN (Homo sapiens, Human), Gene KBTBD2, Length 623 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	35.7	Very low	62.4	Low	246 Å²	246	159.9 Å²	159.9	100%	1.212	81%	0.808	S	S	*	*				0	96	0	-80.6	175.1	168.8	0	0	108
2	S	43.3	Very low	64.8	Low	106 Å²	106	159.7 Å²	159.7	74%	0.741	80%	0.802	S	S	*	*			trans	-139.3	82.1	158.1	59.3	0	0	0	0	104.8	Q4	S2-Q4 PolarHBondContact O-N 3.44Å
3	T	48.4	Very low	67	Low	136 Å²	136	159.1 Å²	159.1	83%	0.834	79%	0.786	S	S	*	*			trans	-57.2	97.9	155	43.8	0	0	0	0	104.4	D5	T3-D5 PolarHBondContact O-N 3.05Å
4	Q	48.8	Very low	68.7	Low	176 Å²	176	151.4 Å²	151.4	82%	0.822	76%	0.76	S	S	*	*			trans	-54.1	117.1	164.8	-81	178	-27.2	0	0	104.7	S2 E6	S2-Q4 PolarHBondContact O-N 3.44Å; Q4-E6 PolarHBondContact O-N 2.9Å
5	D	53.4	Low	70.3	Confident	150 Å²	150	146.8 Å²	146.8	80%	0.802	74%	0.743	S	S	*	*			trans	-53.6	92.6	165.1	-87.6	-36.2	0	0	0	106.2	T3 R7	T3-D5 PolarHBondContact O-N 3.05Å; D5-R7 PolarHBondContact O-N 2.82Å
6	E	55.6	Low	71.8	Confident	184 Å²	184	141 Å²	141	86%	0.86	72%	0.72	S	S	*	*			trans	-57.9	93.8	159.1	-78.6	-175.8	163.2	0	0	104.8	Q4 Q8	Q4-E6 PolarHBondContact O-N 2.9Å; E6-Q8 VanDerWaalsContact C-N 3.32Å; E6-Q8 PolarHBondContact O-N 3.33Å
7	R	66	Low	73.1	Confident	234 Å²	234	137.6 Å²	137.6	88%	0.883	70%	0.704	S	S	*	*			trans	-55.6	105	169.8	-74.5	-176.4	-177.8	177.1	0.9	105.9	D5 I9	D5-R7 PolarHBondContact O-N 2.82Å; R7-I9 PolarHBondContact O-N 3.22Å
8	Q	76.1	Confident	74.3	Confident	190 Å²	190	133 Å²	133	89%	0.888	68%	0.68	S	S	*	*			trans	-55.4	116.8	179.9	-122.9	174.7	-2.2	0	0	108.2	E6 N10	E6-Q8 VanDerWaalsContact C-N 3.32Å; E6-Q8 PolarHBondContact O-N 3.33Å; Q8-N10 PolarHBondContact O-N 3.46Å
9	I	80.6	Confident	75.4	Confident	144 Å²	144	132.1 Å²	132.1	74%	0.738	67%	0.673	S	S	*	*			trans	-64.6	124.3	175.2	-64	170	0	0	0	106.8	R7 T11	R7-I9 PolarHBondContact O-N 3.22Å; I9-T11 PolarHBondContact O-N 3.04Å
10	N	87.7	Confident	76.4	Confident	96 Å²	96	129.8 Å²	129.8	51%	0.513	66%	0.659	S	S	.	*			trans	-71.7	94.3	173.1	-174.9	-17.3	0	0	0	108.9	Q8 E12 Y13 A14	Q8-N10 PolarHBondContact O-N 3.46Å; N10-E12 VanDerWaalsContact C-N 3.29Å; N10-E12 PolarHBondContact O-N 3.43Å; N10-E12 WeakPolarHBondContact OD1-CB 3.39Å; N10-E12 PolarHBondContact OD1-N 2.93Å; N10-E12 VanDerWaalsContact OD1-N 3.12Å; N10-Y13 PolarHBondContact O-N 2.92Å; N10-Y13 PolarHBondContact OD1-N 3.21Å; N10-A14 PolarHBondContact O-N 2.86Å
11	T	91.1	Very high	77.3	Confident	97 Å²	97	125.7 Å²	125.7	60%	0.595	64%	0.639	S	S	*	*	H	α-helix	trans	-64.5	-33.3	179.3	48.4	0	0	0	0	112.1	I9 Y13 A14 V15	I9-T11 PolarHBondContact O-N 3.04Å; T11-Y13 VanDerWaalsContact C-N 3.35Å; T11-Y13 PolarHBondContact O-N 3.2Å; T11-A14 PolarHBondContact O-N 3.45Å; T11-V15 WeakPolarHBondContact O-CG2 3.41Å; T11-V15 PolarHBondContact O-N 3.36Å
12	E	91.6	Very high	80.1	Confident	157 Å²	157	117.9 Å²	117.9	73%	0.734	60%	0.598	S	S	*	*	H	α-helix	trans	-63.6	-41.5	176.6	-59.7	178.7	172.4	0	0	111.3	N10 V15 S16	N10-E12 VanDerWaalsContact C-N 3.29Å; N10-E12 PolarHBondContact O-N 3.43Å; N10-E12 WeakPolarHBondContact OD1-CB 3.39Å; N10-E12 PolarHBondContact OD1-N 2.93Å; N10-E12 VanDerWaalsContact OD1-N 3.12Å; E12-V15 PolarHBondContact O-N 3.02Å; E12-S16 WeakPolarHBondContact O-CB 3.35Å; E12-S16 PolarHBondContact O-N 3.03Å
13	Y	93	Very high	82.6	Confident	152 Å²	152	115.9 Å²	115.9	60%	0.596	58%	0.579	S	S	*	*	H	α-helix	trans	-63.5	-41.8	175.1	178.1	-100.8	0	0	0	112	N10 T11 S16 L17	N10-Y13 PolarHBondContact O-N 2.92Å; N10-Y13 PolarHBondContact OD1-N 3.21Å; T11-Y13 VanDerWaalsContact C-N 3.35Å; T11-Y13 PolarHBondContact O-N 3.2Å; Y13-S16 PolarHBondContact O-N 2.97Å; Y13-L17 WeakPolarHBondContact O-CB 3.46Å; Y13-L17 PolarHBondContact O-N 2.99Å
14	A	91.1	Very high	84.8	Confident	51 Å²	51	112.2 Å²	112.2	42%	0.421	55%	0.551	S	S	.	*	H	α-helix	trans	-64	-42	178.1	0	0	0	0	0	112.2	N10 T11 L17 L18	N10-A14 PolarHBondContact O-N 2.86Å; T11-A14 PolarHBondContact O-N 3.45Å; A14-L17 PolarHBondContact O-N 3.21Å; A14-L18 PolarHBondContact O-N 3.33Å; A14-L18 VanDerWaalsContact O-N 3.14Å
15	V	92.7	Very high	87	Confident	83 Å²	83	105.5 Å²	105.5	50%	0.503	52%	0.519	S	S	.	.	H	α-helix	trans	-63	-47.7	174.5	173.2	0	0	0	0	110.4	T11 E12 L17 L18 E19	T11-V15 WeakPolarHBondContact O-CG2 3.41Å; T11-V15 PolarHBondContact O-N 3.36Å; E12-V15 PolarHBondContact O-N 3.02Å; V15-L17 VanDerWaalsContact C-N 3.34Å; V15-L17 PolarHBondContact O-N 2.94Å; V15-L18 WeakPolarHBondContact O-CB 3.41Å; V15-L18 PolarHBondContact O-N 2.71Å; V15-L18 VanDerWaalsContact O-N 3.14Å; V15-E19 WeakPolarHBondContact O-CG 3.46Å; V15-E19 PolarHBondContact O-N 2.98Å
16	S	94.1	Very high	89	Confident	54 Å²	54	104.4 Å²	104.4	38%	0.378	51%	0.509	S	S	.	.	H	α-helix	trans	-60.6	-41.1	178.5	-174.7	0	0	0	0	112.5	E12 Y13 L18 E19 Q20	E12-S16 WeakPolarHBondContact O-CB 3.35Å; E12-S16 PolarHBondContact O-N 3.03Å; Y13-S16 PolarHBondContact O-N 2.97Å; S16-L18 VanDerWaalsContact C-N 3.33Å; S16-L18 PolarHBondContact O-N 3.09Å; S16-E19 PolarHBondContact O-N 3.23Å; S16-Q20 WeakPolarHBondContact O-CG 3.31Å; S16-Q20 PolarHBondContact O-N 3.18Å
17	L	93.9	Very high	90.9	Very high	84 Å²	84	101 Å²	101	44%	0.44	49%	0.493	S	S	.	.	H	α-helix	trans	-59.3	-44.4	174.7	177	65.5	0	0	0	111.6	Y13 A14 V15 Q20 L21	Y13-L17 WeakPolarHBondContact O-CB 3.46Å; Y13-L17 PolarHBondContact O-N 2.99Å; A14-L17 PolarHBondContact O-N 3.21Å; V15-L17 VanDerWaalsContact C-N 3.34Å; V15-L17 PolarHBondContact O-N 2.94Å; L17-Q20 PolarHBondContact O-N 3.21Å; L17-L21 HydrophobicContact CG-CD1 4.43Å; L17-L21 WeakPolarHBondContact O-CG 3.47Å; L17-L21 PolarHBondContact O-N 3.46Å
18	L	94.3	Very high	92.2	Very high	54 Å²	54	95.8 Å²	95.8	28%	0.283	48%	0.478	S	S	.	.	H	α-helix	trans	-65.5	-40.1	179.4	-169.2	63.9	0	0	0	111.6	A14 V15 S16 Q20 L21 K22 Y90	A14-L18 PolarHBondContact O-N 3.33Å; A14-L18 VanDerWaalsContact O-N 3.14Å; V15-L18 WeakPolarHBondContact O-CB 3.41Å; V15-L18 PolarHBondContact O-N 2.71Å; V15-L18 VanDerWaalsContact O-N 3.14Å; S16-L18 VanDerWaalsContact C-N 3.33Å; S16-L18 PolarHBondContact O-N 3.09Å; L18-Q20 VanDerWaalsContact C-N 3.32Å; L18-Q20 PolarHBondContact O-N 3.23Å; L18-L21 PolarHBondContact O-N 3.15Å; L18-K22 WeakPolarHBondContact O-CB 3.5Å; L18-K22 PolarHBondContact O-N 2.99Å; L18-Y90 VanDerWaalsContact CD1-O 3.28Å; L18-Y90 WeakPolarHBondContact CD1-O 3.41Å; L18-Y90 VanDerWaalsContact CG-O 3.3Å; L18-Y90 WeakPolarHBondContact CG-O 3.43Å
19	E	94.7	Very high	93.1	Very high	115 Å²	115	89.9 Å²	89.9	54%	0.537	45%	0.453	S	S	.	.	H	α-helix	trans	-60	-40.5	172.9	-70.3	174.2	167.7	0	0	112.2	V15 S16 K22 L23	V15-E19 WeakPolarHBondContact O-CG 3.46Å; V15-E19 PolarHBondContact O-N 2.98Å; S16-E19 PolarHBondContact O-N 3.23Å; E19-K22 PolarHBondContact O-N 2.78Å; E19-L23 PolarHBondContact O-N 2.93Å
20	Q	95.9	Very high	93.7	Very high	87 Å²	87	90.5 Å²	90.5	41%	0.407	45%	0.45	S	S	.	.	H	α-helix	trans	-67.4	-41.8	175.2	-65.5	-52.5	-64.6	0	0	112.2	S16 L17 L18 K22 L23 F24	S16-Q20 WeakPolarHBondContact O-CG 3.31Å; S16-Q20 PolarHBondContact O-N 3.18Å; L17-Q20 PolarHBondContact O-N 3.21Å; L18-Q20 VanDerWaalsContact C-N 3.32Å; L18-Q20 PolarHBondContact O-N 3.23Å; Q20-K22 VanDerWaalsContact C-N 3.32Å; Q20-K22 PolarHBondContact O-N 3.38Å; Q20-L23 PolarHBondContact O-N 2.79Å; Q20-F24 WeakPolarHBondContact O-CG 3.26Å; Q20-F24 PolarHBondContact O-N 2.81Å
21	L	94.9	Very high	94	Very high	44 Å²	44	88 Å²	88	23%	0.23	44%	0.438	C	S	.	.	H	α-helix	trans	-62.2	-40.6	176	-71.2	174.7	0	0	0	111.9	L17 L18 F24 Y25 V48 Y90	L17-L21 HydrophobicContact CG-CD1 4.43Å; L17-L21 WeakPolarHBondContact O-CG 3.47Å; L17-L21 PolarHBondContact O-N 3.46Å; L18-L21 PolarHBondContact O-N 3.15Å; L21-F24 PolarHBondContact O-N 3.27Å; L21-Y25 PolarHBondContact O-N 3.44Å; L21-V48 HydrophobicContact CD1-CG2 4.27Å; L21-V48 HydrophobicContact CD2-CG2 4.38Å; L21-Y90 HydrophobicContact CB-CD1 4.18Å
22	K	94.8	Very high	94.1	Very high	82 Å²	82	86.9 Å²	86.9	36%	0.357	43%	0.429	S	S	.	.	H	α-helix	trans	-59	-47.3	172.7	-176.3	-168.1	175.1	179.5	0	111.1	L18 E19 Q20 F24 Y25 E26 T91	L18-K22 WeakPolarHBondContact O-CB 3.5Å; L18-K22 PolarHBondContact O-N 2.99Å; E19-K22 PolarHBondContact O-N 2.78Å; Q20-K22 VanDerWaalsContact C-N 3.32Å; Q20-K22 PolarHBondContact O-N 3.38Å; K22-F24 VanDerWaalsContact C-N 3.34Å; K22-F24 PolarHBondContact O-N 3.26Å; K22-Y25 WeakPolarHBondContact O-CB 3.45Å; K22-Y25 PolarHBondContact O-N 2.84Å; K22-E26 WeakPolarHBondContact CE-OE1 3.35Å; K22-E26 IonicContact NZ-OE1 3.28Å; K22-E26 WeakPolarHBondContact O-CG 3.46Å; K22-E26 PolarHBondContact O-N 2.94Å; K22-T91 HydrophobicContact CD-CG2 3.87Å; K22-T91 HydrophobicContact CG-CG2 4.2Å
23	L	96.1	Very high	94.3	Very high	63 Å²	63	79.5 Å²	79.5	33%	0.33	40%	0.395	S	S	.	.	H	α-helix	trans	-61.7	-41	178.2	-177.5	134.3	0	0	0	112.1	E19 Q20 Y25 E26 Q27	E19-L23 PolarHBondContact O-N 2.93Å; Q20-L23 PolarHBondContact O-N 2.79Å; L23-Y25 VanDerWaalsContact C-N 3.35Å; L23-E26 PolarHBondContact O-N 3.41Å; L23-Q27 WeakPolarHBondContact O-CB 3.41Å; L23-Q27 WeakPolarHBondContact O-CG 3.47Å; L23-Q27 PolarHBondContact O-N 2.98Å
24	F	95.6	Very high	94.4	Very high	60 Å²	60	73.3 Å²	73.3	26%	0.263	37%	0.373	S	S	.	.	H	α-helix	trans	-64.1	-39.3	174.5	-64.5	-23	0	0	0	112.4	Q20 L21 K22 Q28 L29 F30	Q20-F24 WeakPolarHBondContact O-CG 3.26Å; Q20-F24 PolarHBondContact O-N 2.81Å; L21-F24 PolarHBondContact O-N 3.27Å; K22-F24 VanDerWaalsContact C-N 3.34Å; K22-F24 PolarHBondContact O-N 3.26Å; F24-Q28 CarbonylContact O-C 3.56Å; F24-Q28 WeakPolarHBondContact O-CA 2.99Å; F24-Q28 PolarHBondContact O-N 3.04Å; F24-L29 HydrophobicContact CB-CB 4.26Å; F24-L29 HydrophobicContact CD1-CB 4.25Å; F24-L29 HydrophobicContact CD1-CD1 4.01Å; F24-L29 PolarHBondContact O-N 3.45Å; F24-F30 HydrophobicContact CD1-CD2 4.44Å; F24-F30 HydrophobicContact CD1-CE2 4.42Å; F24-F30 HydrophobicContact CD2-CD2 4.19Å; F24-F30 HydrophobicContact CE1-CE2 4.27Å; F24-F30 HydrophobicContact CE2-CD2 4.42Å; F24-F30 HydrophobicContact CE2-CE2 4.44Å; F24-F30 HydrophobicContact CG-CD2 4.22Å; F24-F30 HydrophobicContact CZ-CE2 4.28Å
25	Y	95	Very high	94.6	Very high	35 Å²	35	70.9 Å²	70.9	14%	0.137	35%	0.352	C	S	.	.	H	α-helix	trans	-63.3	-49	173.9	169.2	-111.6	0	0	0	112.3	L21 K22 L23 Q27 Q28 P43 Q83 I86 Y90	L21-Y25 PolarHBondContact O-N 3.44Å; K22-Y25 WeakPolarHBondContact O-CB 3.45Å; K22-Y25 PolarHBondContact O-N 2.84Å; L23-Y25 VanDerWaalsContact C-N 3.35Å; Y25-Q27 VanDerWaalsContact C-N 3.27Å; Y25-Q27 PolarHBondContact O-N 3.33Å; Y25-Q28 PolarHBondContact O-N 2.98Å; Y25-P43 WeakPolarHBondContact CD2-O 3.21Å; Y25-P43 WeakPolarHBondContact CE2-O 3.37Å; Y25-Q83 PolarHBondContact OH-NE2 2.85Å; Y25-Q83 VanDerWaalsContact OH-NE2 3.1Å; Y25-Q83 PolarHBondContact OH-OE1 3.49Å; Y25-I86 HydrophobicContact CE1-CG2 4.18Å; Y25-I86 HydrophobicContact CE2-CG2 3.74Å; Y25-I86 WeakPolarHBondContact OH-CG2 3.26Å; Y25-Y90 AromaticContact CD1-CD2 3.81Å; Y25-Y90 HydrophobicContact CD1-CD2 3.81Å; Y25-Y90 HydrophobicContact CD1-CE2 4.12Å; Y25-Y90 HydrophobicContact CD1-CG 4.21Å; Y25-Y90 HydrophobicContact CD2-CD2 4.04Å; Y25-Y90 AromaticContact CD2-CE2 3.47Å; Y25-Y90 HydrophobicContact CD2-CE2 3.47Å; Y25-Y90 VanDerWaalsContact CD2-CE2 3.47Å; Y25-Y90 AromaticContact CD2-CZ 3.79Å; Y25-Y90 HydrophobicContact CE1-CD2 4.25Å; Y25-Y90 HydrophobicContact CE2-CD2 4.47Å; Y25-Y90 AromaticContact CE2-CE2 3.97Å; Y25-Y90 HydrophobicContact CE2-CE2 3.97Å; Y25-Y90 HydrophobicContact CG-CD1 4.36Å; Y25-Y90 AromaticContact CG-CD2 3.68Å; Y25-Y90 HydrophobicContact CG-CD2 3.68Å; Y25-Y90 HydrophobicContact CG-CE1 4.24Å; Y25-Y90 AromaticContact CG-CE2 3.56Å; Y25-Y90 HydrophobicContact CG-CE2 3.56Å; Y25-Y90 HydrophobicContact CG-CG 4.11Å; Y25-Y90 AromaticContact CG-CZ 3.86Å
26	E	94.3	Very high	94.8	Very high	126 Å²	126	68 Å²	68	59%	0.589	33%	0.334	S	S	*	.	H	α-helix	trans	-62.3	-34.5	179.9	-72.7	178	167.2	0	0	112.6	K22 L23	K22-E26 WeakPolarHBondContact CE-OE1 3.35Å; K22-E26 IonicContact NZ-OE1 3.28Å; K22-E26 WeakPolarHBondContact O-CG 3.46Å; K22-E26 PolarHBondContact O-N 2.94Å; L23-E26 PolarHBondContact O-N 3.41Å
27	Q	95.4	Very high	94.8	Very high	114 Å²	114	65.5 Å²	65.5	53%	0.533	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	1.5	176.7	-64	-178	7.2	0	0	113.6	L23 Y25 L29	L23-Q27 WeakPolarHBondContact O-CB 3.41Å; L23-Q27 WeakPolarHBondContact O-CG 3.47Å; L23-Q27 PolarHBondContact O-N 2.98Å; Y25-Q27 VanDerWaalsContact C-N 3.27Å; Y25-Q27 PolarHBondContact O-N 3.33Å; Q27-L29 HydrophobicContact CB-CD1 3.99Å; Q27-L29 HydrophobicContact CB-CG 3.8Å; Q27-L29 PolarHBondContact O-N 3.14Å; Q27-L29 VanDerWaalsContact OE1-CD1 3.3Å
28	Q	94.6	Very high	94.7	Very high	123 Å²	123	68.4 Å²	68.4	58%	0.575	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	35.3	-175.8	-56.4	-179.9	-12.6	0	0	113.4	F24 Y25 P43	F24-Q28 CarbonylContact O-C 3.56Å; F24-Q28 WeakPolarHBondContact O-CA 2.99Å; F24-Q28 PolarHBondContact O-N 3.04Å; Y25-Q28 PolarHBondContact O-N 2.98Å; Q28-P43 HydrophobicContact CG-CB 4.35Å; Q28-P43 HydrophobicContact CG-CG 4.45Å
29	L	93.9	Very high	94.5	Very high	67 Å²	67	69.1 Å²	69.1	35%	0.351	35%	0.348	S	S	.	.			trans	-86.4	136.6	176.6	-63.3	177.2	0	0	0	109.8	F24 Q27 T31 H45	F24-L29 HydrophobicContact CB-CB 4.26Å; F24-L29 HydrophobicContact CD1-CB 4.25Å; F24-L29 HydrophobicContact CD1-CD1 4.01Å; F24-L29 PolarHBondContact O-N 3.45Å; Q27-L29 HydrophobicContact CB-CD1 3.99Å; Q27-L29 HydrophobicContact CB-CG 3.8Å; Q27-L29 PolarHBondContact O-N 3.14Å; Q27-L29 VanDerWaalsContact OE1-CD1 3.3Å; L29-T31 PolarHBondContact O-N 3.14Å; L29-H45 PolarHBondContact O-CE1 3.48Å; L29-H45 PolarHBondContact O-NE2 3.39Å
30	F	92.7	Very high	94.5	Very high	157 Å²	157	66.9 Å²	66.9	69%	0.689	34%	0.342	S	S	*	.	S	Bend	trans	59.7	11.3	176.3	-47.4	-69.3	0	0	0	116.2	F24 D32 H45	F24-F30 HydrophobicContact CD1-CD2 4.44Å; F24-F30 HydrophobicContact CD1-CE2 4.42Å; F24-F30 HydrophobicContact CD2-CD2 4.19Å; F24-F30 HydrophobicContact CE1-CE2 4.27Å; F24-F30 HydrophobicContact CE2-CD2 4.42Å; F24-F30 HydrophobicContact CE2-CE2 4.44Å; F24-F30 HydrophobicContact CG-CD2 4.22Å; F24-F30 HydrophobicContact CZ-CE2 4.28Å; F30-D32 PolarHBondContact O-N 3.49Å; F30-H45 PolarHBondContact O-CD2 3.06Å
31	T	94.2	Very high	94.5	Very high	42 Å²	42	68.5 Å²	68.5	26%	0.258	35%	0.35	S	S	.	.			trans	-63	126.3	174.3	57.6	0	0	0	0	110.1	L29 P43 C44	L29-T31 PolarHBondContact O-N 3.14Å; T31-P43 HydrophobicContact CG2-CB 4.04Å; T31-C44 CarbonylContact C-O 3.47Å; T31-C44 VanDerWaalsContact CA-O 3.31Å; T31-C44 WeakPolarHBondContact CA-O 3.42Å; T31-C44 WeakPolarHBondContact CB-O 3.47Å
32	D	94.3	Very high	94.6	Very high	75 Å²	75	66.9 Å²	66.9	40%	0.401	34%	0.341	S	S	.	.			trans	-114.2	5.2	-175.1	62.1	-10	0	0	0	112.7	F30 C44 H45 K46	F30-D32 PolarHBondContact O-N 3.49Å; D32-C44 PolarHBondContact N-O 2.91Å; D32-C44 VanDerWaalsContact N-O 3.09Å; D32-H45 VanDerWaalsContact OD1-CA 3.26Å; D32-H45 WeakPolarHBondContact OD1-CA 3.21Å; D32-K46 WeakPolarHBondContact O-CE 3.44Å; D32-K46 WeakPolarHBondContact OD1-CG 3.43Å; D32-K46 PolarHBondContact OD1-N 3.06Å; D32-K46 WeakPolarHBondContact OD2-CB 3.32Å
33	I	94.6	Very high	94.7	Very high	2 Å²	2	64 Å²	64	1%	0.01	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	147.7	172.7	-172.5	164.5	0	0	0	112.2	L35 P43 C44 K46 L49 M59 F60 T70 V72	I33-L35 HydrophobicContact CD1-CD2 3.96Å; I33-L35 HydrophobicContact CG1-CD2 4.25Å; I33-P43 CarbonylContact O-C 3.59Å; I33-P43 WeakPolarHBondContact O-CA 3.3Å; I33-C44 HydrophobicContact CG2-CB 4.12Å; I33-C44 WeakPolarHBondContact CG2-O 3.5Å; I33-C44 PolarHBondContact N-O 2.65Å; I33-C44 PolarHBondContact O-N 3.32Å; I33-K46 HydrophobicContact CB-CG 3.86Å; I33-K46 HydrophobicContact CD1-CG 4.4Å; I33-K46 HydrophobicContact CG2-CG 3.75Å; I33-L49 HydrophobicContact CG2-CD1 4.13Å; I33-M59 HydrophobicContact CD1-CE 4.46Å; I33-F60 HydrophobicContact CD1-CD1 4.41Å; I33-F60 HydrophobicContact CD1-CE1 3.25Å; I33-F60 HydrophobicContact CD1-CZ 3.47Å; I33-F60 VanDerWaalsContact CD1-CZ 3.47Å; I33-T70 CarbonylContact C-O 3.59Å; I33-T70 WeakPolarHBondContact CA-O 3.34Å; I33-V72 HydrophobicContact CD1-CB 4.34Å; I33-V72 HydrophobicContact CD1-CG2 3.78Å; I33-V72 HydrophobicContact CG1-CG2 4.48Å
34	V	95.8	Very high	94.7	Very high	22 Å²	22	61 Å²	61	13%	0.133	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	118.8	169.2	-176.6	0	0	0	0	108.9	I36 E41 P43 T70 H71 V72	V34-I36 HydrophobicContact CG1-CG1 4.3Å; V34-E41 HydrophobicContact CG1-CB 3.77Å; V34-E41 HydrophobicContact CG1-CG 4.23Å; V34-P43 HydrophobicContact CG2-CB 4.46Å; V34-P43 HydrophobicContact CG2-CG 4.49Å; V34-T70 PolarHBondContact N-O 3.47Å; V34-H71 VanDerWaalsContact O-CA 3.32Å; V34-H71 WeakPolarHBondContact O-CA 3.43Å; V34-V72 PolarHBondContact O-N 3.12Å
35	L	95.3	Very high	94.7	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	134.6	171	-52.9	176.9	0	0	0	109	I33 E41 F42 L49 F56 V72 L74 L82 I86	I33-L35 HydrophobicContact CD1-CD2 3.96Å; I33-L35 HydrophobicContact CG1-CD2 4.25Å; L35-E41 CarbonylContact O-C 3.55Å; L35-E41 WeakPolarHBondContact O-CA 3.48Å; L35-F42 HydrophobicContact CB-CB 4.22Å; L35-F42 PolarHBondContact N-O 3.29Å; L35-F42 PolarHBondContact O-N 3.14Å; L35-L49 HydrophobicContact CD1-CD1 3.89Å; L35-L49 HydrophobicContact CG-CD1 4.37Å; L35-F56 HydrophobicContact CD1-CE1 4.22Å; L35-F56 HydrophobicContact CD1-CE2 4.4Å; L35-F56 HydrophobicContact CD1-CZ 3.74Å; L35-F56 HydrophobicContact CD2-CE1 4.1Å; L35-F56 HydrophobicContact CD2-CZ 4.45Å; L35-V72 CarbonylContact C-O 3.56Å; L35-V72 WeakPolarHBondContact CA-O 3.4Å; L35-V72 HydrophobicContact CD2-CB 4.14Å; L35-L74 HydrophobicContact CB-CD1 4.41Å; L35-L74 HydrophobicContact CD1-CD1 4.15Å; L35-L74 HydrophobicContact CD2-CD1 4.36Å; L35-L82 HydrophobicContact CB-CD2 4.49Å; L35-L82 HydrophobicContact CD1-CD1 4.45Å; L35-L82 HydrophobicContact CD1-CD2 4.36Å; L35-I86 HydrophobicContact CD1-CD1 4.3Å
36	I	95.7	Very high	94.7	Very high	23 Å²	23	59 Å²	59	12%	0.118	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	117.4	-179	-54.3	174.2	0	0	0	108.9	V34 T40 E41 H71 V72 H73 L74	V34-I36 HydrophobicContact CG1-CG1 4.3Å; I36-T40 WeakPolarHBondContact CA-O 3.28Å; I36-E41 HydrophobicContact CG1-CG 4.31Å; I36-H71 HydrophobicContact CD1-CB 4.15Å; I36-V72 PolarHBondContact N-O 3.23Å; I36-H73 VanDerWaalsContact CD1-CE1 3.42Å; I36-H73 WeakPolarHBondContact CD1-CE1 3.4Å; I36-H73 WeakPolarHBondContact CG2-ND1 3.37Å; I36-H73 WeakPolarHBondContact O-CA 3.42Å; I36-L74 PolarHBondContact O-N 2.84Å
37	V	95	Very high	94.7	Very high	1 Å²	1	59.8 Å²	59.8	1%	0.006	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	124.3	-178.1	-179.7	0	0	0	0	109.4	G39 T40 F42 L74 V77 A79 L82	V37-G39 PolarHBondContact O-N 2.63Å; V37-T40 PolarHBondContact N-O 3.09Å; V37-T40 WeakPolarHBondContact O-CA 3.44Å; V37-T40 WeakPolarHBondContact O-CB 3.42Å; V37-T40 PolarHBondContact O-N 3.41Å; V37-F42 HydrophobicContact CB-CE2 4.11Å; V37-L74 HydrophobicContact CG2-CB 3.79Å; V37-L74 HydrophobicContact CG2-CD1 4.26Å; V37-L74 HydrophobicContact CG2-CG 4.41Å; V37-V77 HydrophobicContact CG1-CB 4.4Å; V37-V77 HydrophobicContact CG1-CG1 4.43Å; V37-V77 WeakPolarHBondContact CG1-O 3.39Å; V37-A79 HydrophobicContact CG1-CB 4.27Å; V37-L82 HydrophobicContact CB-CD2 4.25Å; V37-L82 HydrophobicContact CG2-CD2 3.46Å; V37-L82 VanDerWaalsContact CG2-CD2 3.46Å
38	E	91.5	Very high	94.7	Very high	145 Å²	145	55.1 Å²	55.1	68%	0.678	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	30.2	-179.1	-59.6	-175.3	135.2	0	0	114.3	T40	E38-T40 PolarHBondContact O-N 3.06Å
39	G	90.6	Very high	94.8	Very high	69 Å²	69	49.4 Å²	49.4	71%	0.711	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.4	-2	-176	0	0	0	0	0	114.9	V37	V37-G39 PolarHBondContact O-N 2.63Å
40	T	95	Very high	94.8	Very high	68 Å²	68	47.1 Å²	47.1	42%	0.417	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	134.9	171.4	-52.2	0	0	0	0	110	I36 V37 E38 F42	I36-T40 WeakPolarHBondContact CA-O 3.28Å; V37-T40 PolarHBondContact N-O 3.09Å; V37-T40 WeakPolarHBondContact O-CA 3.44Å; V37-T40 WeakPolarHBondContact O-CB 3.42Å; V37-T40 PolarHBondContact O-N 3.41Å; E38-T40 PolarHBondContact O-N 3.06Å; T40-F42 HydrophobicContact CG2-CD2 4.42Å; T40-F42 HydrophobicContact CG2-CE1 4.19Å; T40-F42 HydrophobicContact CG2-CE2 3.68Å; T40-F42 HydrophobicContact CG2-CZ 3.56Å
41	E	95.9	Very high	94.9	Very high	121 Å²	121	45.4 Å²	45.4	57%	0.565	26%	0.258	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.4	135.2	179.1	-61.7	-169.7	168.3	0	0	111.1	V34 L35 I36	V34-E41 HydrophobicContact CG1-CB 3.77Å; V34-E41 HydrophobicContact CG1-CG 4.23Å; L35-E41 CarbonylContact O-C 3.55Å; L35-E41 WeakPolarHBondContact O-CA 3.48Å; I36-E41 HydrophobicContact CG1-CG 4.31Å
42	F	96.3	Very high	94.9	Very high	9 Å²	9	44.9 Å²	44.9	4%	0.039	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	90.7	179	-57.2	-92.8	0	0	0	110.4	L35 V37 T40 C44 A79 L82 Q83 I86	L35-F42 HydrophobicContact CB-CB 4.22Å; L35-F42 PolarHBondContact N-O 3.29Å; L35-F42 PolarHBondContact O-N 3.14Å; V37-F42 HydrophobicContact CB-CE2 4.11Å; T40-F42 HydrophobicContact CG2-CD2 4.42Å; T40-F42 HydrophobicContact CG2-CE1 4.19Å; T40-F42 HydrophobicContact CG2-CE2 3.68Å; T40-F42 HydrophobicContact CG2-CZ 3.56Å; F42-C44 PolarHBondContact O-N 3.11Å; F42-A79 HydrophobicContact CE2-CB 4.47Å; F42-A79 HydrophobicContact CZ-CB 4.1Å; F42-L82 HydrophobicContact CD2-CD2 3.9Å; F42-L82 HydrophobicContact CE2-CD2 4.02Å; F42-L82 HydrophobicContact CG-CD2 4.38Å; F42-Q83 HydrophobicContact CE1-CB 4.05Å; F42-I86 HydrophobicContact CB-CD1 3.79Å; F42-I86 HydrophobicContact CD1-CD1 3.91Å; F42-I86 HydrophobicContact CG-CD1 3.96Å
43	P	96.6	Very high	95.1	Very high	21 Å²	21	41.5 Å²	41.5	14%	0.136	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	123.7	172.4	-21.4	34.7	0	0	0	110.8	Y25 Q28 T31 I33 V34	Y25-P43 WeakPolarHBondContact CD2-O 3.21Å; Y25-P43 WeakPolarHBondContact CE2-O 3.37Å; Q28-P43 HydrophobicContact CG-CB 4.35Å; Q28-P43 HydrophobicContact CG-CG 4.45Å; T31-P43 HydrophobicContact CG2-CB 4.04Å; I33-P43 CarbonylContact O-C 3.59Å; I33-P43 WeakPolarHBondContact O-CA 3.3Å; V34-P43 HydrophobicContact CG2-CB 4.46Å; V34-P43 HydrophobicContact CG2-CG 4.49Å
44	C	96.4	Very high	95.1	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	174.7	-171.5	-71.5	0	0	0	0	111.9	T31 D32 I33 F42 L49	T31-C44 CarbonylContact C-O 3.47Å; T31-C44 VanDerWaalsContact CA-O 3.31Å; T31-C44 WeakPolarHBondContact CA-O 3.42Å; T31-C44 WeakPolarHBondContact CB-O 3.47Å; D32-C44 PolarHBondContact N-O 2.91Å; D32-C44 VanDerWaalsContact N-O 3.09Å; I33-C44 HydrophobicContact CG2-CB 4.12Å; I33-C44 WeakPolarHBondContact CG2-O 3.5Å; I33-C44 PolarHBondContact N-O 2.65Å; I33-C44 PolarHBondContact O-N 3.32Å; F42-C44 PolarHBondContact O-N 3.11Å; C44-L49 HydrophobicContact CB-CD1 3.75Å; C44-L49 HydrophobicContact CB-CG 4.2Å
45	H	96	Very high	95.1	Very high	16 Å²	16	45.4 Å²	45.4	7%	0.074	26%	0.257	C	S	.	.			trans	-104.6	122.6	174.6	-56.6	91.5	0	0	0	110.4	L29 F30 D32 M47 V48 L49 Y90	L29-H45 PolarHBondContact O-CE1 3.48Å; L29-H45 PolarHBondContact O-NE2 3.39Å; F30-H45 PolarHBondContact O-CD2 3.06Å; D32-H45 VanDerWaalsContact OD1-CA 3.26Å; D32-H45 WeakPolarHBondContact OD1-CA 3.21Å; H45-M47 PolarHBondContact O-N 3.1Å; H45-V48 HydrophobicContact CB-CB 4.15Å; H45-V48 HydrophobicContact CB-CG2 3.87Å; H45-V48 PolarHBondContact O-N 3.5Å; H45-V48 VanDerWaalsContact O-N 3.12Å; H45-L49 PolarHBondContact O-N 3.42Å; H45-Y90 PolarHBondContact N-OH 3.47Å; H45-Y90 AromaticContact ND1-CE1 3.5Å; H45-Y90 AromaticContact ND1-CZ 3.56Å; H45-Y90 PolarHBondContact ND1-OH 3.03Å
46	K	94.4	Very high	95	Very high	38 Å²	38	45.5 Å²	45.5	17%	0.165	26%	0.258	C	S	.	.	H	α-helix	trans	-53.1	-42.4	177.6	-72.5	-178.2	178.6	-175.2	0	111.6	D32 I33 L49 A50 F60 S67 Q69	D32-K46 WeakPolarHBondContact O-CE 3.44Å; D32-K46 WeakPolarHBondContact OD1-CG 3.43Å; D32-K46 PolarHBondContact OD1-N 3.06Å; D32-K46 WeakPolarHBondContact OD2-CB 3.32Å; I33-K46 HydrophobicContact CB-CG 3.86Å; I33-K46 HydrophobicContact CD1-CG 4.4Å; I33-K46 HydrophobicContact CG2-CG 3.75Å; K46-L49 PolarHBondContact O-N 3.47Å; K46-A50 WeakPolarHBondContact O-CB 3.11Å; K46-A50 PolarHBondContact O-N 2.79Å; K46-F60 HydrophobicContact CB-CD2 3.69Å; K46-F60 HydrophobicContact CB-CE2 3.8Å; K46-F60 HydrophobicContact CB-CG 4.21Å; K46-F60 HydrophobicContact CB-CZ 4.38Å; K46-F60 HydrophobicContact CD-CD1 4.14Å; K46-F60 HydrophobicContact CD-CE1 4.41Å; K46-F60 HydrophobicContact CD-CG 4.23Å; K46-F60 HydrophobicContact CG-CD1 4.16Å; K46-F60 HydrophobicContact CG-CD2 3.99Å; K46-F60 HydrophobicContact CG-CE1 4.06Å; K46-F60 HydrophobicContact CG-CE2 3.91Å; K46-F60 HydrophobicContact CG-CG 4.15Å; K46-F60 HydrophobicContact CG-CZ 3.97Å; K46-F60 WeakPolarHBondContact O-CE2 3.49Å; K46-S67 PolarHBondContact NZ-O 3.06Å; K46-Q69 PolarHBondContact NZ-O 3Å
47	M	93.8	Very high	95	Very high	143 Å²	143	50.4 Å²	50.4	70%	0.704	28%	0.275	S	S	*	.	H	α-helix	trans	-62.6	-43.2	179.9	175.3	167.5	39.7	0	0	112.6	H45 T51	H45-M47 PolarHBondContact O-N 3.1Å; M47-T51 WeakPolarHBondContact O-CB 3.43Å; M47-T51 PolarHBondContact O-N 3.12Å; M47-T51 VanDerWaalsContact O-N 3.1Å; M47-T51 PolarHBondContact O-OG1 3.28Å
48	V	95.9	Very high	94.9	Very high	15 Å²	15	53.3 Å²	53.3	9%	0.091	30%	0.298	C	S	.	.	H	α-helix	trans	-68.5	-46.1	179.4	178.2	0	0	0	0	110	L21 H45 A50 T51 C52 A89 Y90	L21-V48 HydrophobicContact CD1-CG2 4.27Å; L21-V48 HydrophobicContact CD2-CG2 4.38Å; H45-V48 HydrophobicContact CB-CB 4.15Å; H45-V48 HydrophobicContact CB-CG2 3.87Å; H45-V48 PolarHBondContact O-N 3.5Å; H45-V48 VanDerWaalsContact O-N 3.12Å; V48-A50 PolarHBondContact O-N 3.34Å; V48-T51 WeakPolarHBondContact O-CB 3.49Å; V48-T51 PolarHBondContact O-N 2.91Å; V48-C52 PolarHBondContact O-N 2.88Å; V48-A89 HydrophobicContact CG1-CB 4.06Å; V48-Y90 HydrophobicContact CB-CE1 3.99Å; V48-Y90 HydrophobicContact CG1-CD1 3.97Å; V48-Y90 HydrophobicContact CG1-CE1 3.73Å; V48-Y90 HydrophobicContact CG1-CE2 4.38Å; V48-Y90 HydrophobicContact CG1-CG 4.39Å; V48-Y90 HydrophobicContact CG2-CD1 4.5Å; V48-Y90 HydrophobicContact CG2-CE1 3.82Å
49	L	96	Very high	94.9	Very high	4 Å²	4	47.2 Å²	47.2	2%	0.021	27%	0.27	C	S	.	.	H	α-helix	trans	-61	-45.1	176.9	-69	-179.2	0	0	0	112.5	I33 L35 C44 H45 K46 T51 C52 S53 F56 F60 I86	I33-L49 HydrophobicContact CG2-CD1 4.13Å; L35-L49 HydrophobicContact CD1-CD1 3.89Å; L35-L49 HydrophobicContact CG-CD1 4.37Å; C44-L49 HydrophobicContact CB-CD1 3.75Å; C44-L49 HydrophobicContact CB-CG 4.2Å; H45-L49 PolarHBondContact O-N 3.42Å; K46-L49 PolarHBondContact O-N 3.47Å; L49-T51 VanDerWaalsContact C-N 3.25Å; L49-T51 PolarHBondContact O-N 3.27Å; L49-C52 PolarHBondContact O-N 3.37Å; L49-S53 WeakPolarHBondContact O-CB 3.22Å; L49-S53 PolarHBondContact O-N 3Å; L49-F56 HydrophobicContact CB-CB 4.06Å; L49-F56 HydrophobicContact CB-CD2 3.74Å; L49-F56 HydrophobicContact CB-CE2 4.48Å; L49-F56 HydrophobicContact CB-CG 4.04Å; L49-F56 HydrophobicContact CD1-CD2 4.34Å; L49-F56 HydrophobicContact CD1-CE2 4.43Å; L49-F56 HydrophobicContact CD2-CD2 4.13Å; L49-F56 HydrophobicContact CD2-CE2 4.08Å; L49-F56 HydrophobicContact CG-CD2 4.29Å; L49-F60 HydrophobicContact CB-CE2 4.06Å; L49-F60 HydrophobicContact CD1-CZ 4.39Å; L49-I86 HydrophobicContact CD2-CG1 4.39Å
50	A	95	Very high	95	Very high	19 Å²	19	45.2 Å²	45.2	16%	0.157	24%	0.242	C	C	.	.	H	α-helix	trans	-66.9	-24.3	177.6	0	0	0	0	0	113.8	K46 V48 R57 F60	K46-A50 WeakPolarHBondContact O-CB 3.11Å; K46-A50 PolarHBondContact O-N 2.79Å; V48-A50 PolarHBondContact O-N 3.34Å; A50-R57 HydrophobicContact CB-CB 3.99Å; A50-R57 HydrophobicContact CB-CG 4.38Å; A50-R57 WeakPolarHBondContact O-CB 3.38Å; A50-F60 HydrophobicContact CB-CD2 4.13Å
51	T	94.7	Very high	94.7	Very high	120 Å²	120	49.1 Å²	49.1	74%	0.736	26%	0.257	S	S	*	.	H	α-helix	trans	-72.8	-39.2	175.7	-58.2	0	0	0	0	110.7	M47 V48 L49	M47-T51 WeakPolarHBondContact O-CB 3.43Å; M47-T51 PolarHBondContact O-N 3.12Å; M47-T51 VanDerWaalsContact O-N 3.1Å; M47-T51 PolarHBondContact O-OG1 3.28Å; V48-T51 WeakPolarHBondContact O-CB 3.49Å; V48-T51 PolarHBondContact O-N 2.91Å; L49-T51 VanDerWaalsContact C-N 3.25Å; L49-T51 PolarHBondContact O-N 3.27Å
52	C	95.2	Very high	94.2	Very high	32 Å²	32	46.1 Å²	46.1	22%	0.216	25%	0.25	C	C	.	.	H	α-helix	trans	-87.3	-30.8	-176.6	-173.2	0	0	0	0	113.4	V48 L49 A89	V48-C52 PolarHBondContact O-N 2.88Å; L49-C52 PolarHBondContact O-N 3.37Å; C52-A89 HydrophobicContact CB-CB 3.96Å
53	S	96.7	Very high	93.4	Very high	3 Å²	3	48.4 Å²	48.4	2%	0.021	28%	0.276	C	S	.	.			trans	-125.3	123.5	-171	163.9	0	0	0	0	111.8	L49 Y55 F56 R57 L111	L49-S53 WeakPolarHBondContact O-CB 3.22Å; L49-S53 PolarHBondContact O-N 3Å; S53-Y55 VanDerWaalsContact C-N 3.28Å; S53-Y55 PolarHBondContact O-N 2.72Å; S53-Y55 PolarHBondContact OG-N 3.18Å; S53-F56 VanDerWaalsContact CB-CD2 3.46Å; S53-F56 PolarHBondContact O-N 3.1Å; S53-F56 WeakPolarHBondContact OG-CD2 3.21Å; S53-F56 PolarHBondContact OG-N 3.13Å; S53-F56 VanDerWaalsContact OG-N 3.08Å; S53-R57 WeakPolarHBondContact O-CB 3.42Å; S53-R57 PolarHBondContact O-N 2.98Å; S53-L111 WeakPolarHBondContact CB-O 3.23Å; S53-L111 PolarHBondContact OG-O 3.29Å
54	S	96.2	Very high	92.8	Very high	40 Å²	40	52.7 Å²	52.7	28%	0.28	30%	0.297	S	S	.	.	H	α-helix	trans	-67.7	-30.1	174	-71.9	0	0	0	0	112.5	R57 A58 Q112	S54-R57 PolarHBondContact O-N 3.19Å; S54-R57 PolarHBondContact OG-NH2 3.28Å; S54-A58 WeakPolarHBondContact O-CB 3.32Å; S54-A58 PolarHBondContact O-N 3.2Å; S54-Q112 PolarHBondContact N-O 2.77Å
55	Y	94.7	Very high	91.8	Very high	67 Å²	67	56.4 Å²	56.4	26%	0.263	32%	0.323	S	S	.	.	H	α-helix	trans	-60.1	-52.9	173	175.5	-91.7	0	0	0	111.2	S53 R57 A58 M59 L74 F110 L111	S53-Y55 VanDerWaalsContact C-N 3.28Å; S53-Y55 PolarHBondContact O-N 2.72Å; S53-Y55 PolarHBondContact OG-N 3.18Å; Y55-R57 PolarHBondContact O-N 3.26Å; Y55-A58 PolarHBondContact O-N 3.48Å; Y55-M59 HydrophobicContact CE1-SD 4.08Å; Y55-M59 WeakPolarHBondContact O-CB 2.96Å; Y55-M59 PolarHBondContact O-N 2.87Å; Y55-L74 HydrophobicContact CE1-CD2 4.01Å; Y55-F110 HydrophobicContact CE2-CZ 4.42Å; Y55-L111 VanDerWaalsContact CB-O 3.27Å; Y55-L111 WeakPolarHBondContact CB-O 3.43Å; Y55-L111 HydrophobicContact CD1-CD2 3.88Å; Y55-L111 HydrophobicContact CE1-CD2 4.22Å; Y55-L111 HydrophobicContact CG-CD2 4.44Å
56	F	94.6	Very high	90.8	Very high	2 Å²	2	59 Å²	59	1%	0.009	34%	0.335	C	S	.	.	H	α-helix	trans	-66.3	-37.9	178.8	-69.8	-44.8	0	0	0	112.1	L35 L49 S53 A58 M59 F60 L74 L111	L35-F56 HydrophobicContact CD1-CE1 4.22Å; L35-F56 HydrophobicContact CD1-CE2 4.4Å; L35-F56 HydrophobicContact CD1-CZ 3.74Å; L35-F56 HydrophobicContact CD2-CE1 4.1Å; L35-F56 HydrophobicContact CD2-CZ 4.45Å; L49-F56 HydrophobicContact CB-CB 4.06Å; L49-F56 HydrophobicContact CB-CD2 3.74Å; L49-F56 HydrophobicContact CB-CE2 4.48Å; L49-F56 HydrophobicContact CB-CG 4.04Å; L49-F56 HydrophobicContact CD1-CD2 4.34Å; L49-F56 HydrophobicContact CD1-CE2 4.43Å; L49-F56 HydrophobicContact CD2-CD2 4.13Å; L49-F56 HydrophobicContact CD2-CE2 4.08Å; L49-F56 HydrophobicContact CG-CD2 4.29Å; S53-F56 VanDerWaalsContact CB-CD2 3.46Å; S53-F56 PolarHBondContact O-N 3.1Å; S53-F56 WeakPolarHBondContact OG-CD2 3.21Å; S53-F56 PolarHBondContact OG-N 3.13Å; S53-F56 VanDerWaalsContact OG-N 3.08Å; F56-A58 PolarHBondContact O-N 3.35Å; F56-M59 HydrophobicContact CD1-CE 3.53Å; F56-M59 HydrophobicContact CE1-CE 3.96Å; F56-M59 PolarHBondContact O-N 2.97Å; F56-F60 HydrophobicContact CB-CD2 4.29Å; F56-F60 HydrophobicContact CB-CE2 3.69Å; F56-F60 HydrophobicContact CB-CZ 4.12Å; F56-F60 HydrophobicContact CD1-CZ 4.09Å; F56-F60 HydrophobicContact CG-CE2 4.32Å; F56-F60 HydrophobicContact CG-CZ 4.35Å; F56-F60 WeakPolarHBondContact O-CD2 3.36Å; F56-F60 WeakPolarHBondContact O-CG 3.4Å; F56-F60 PolarHBondContact O-N 3.49Å; F56-L74 HydrophobicContact CE1-CD1 4.09Å; F56-L74 HydrophobicContact CE1-CD2 4.29Å; F56-L74 HydrophobicContact CZ-CD1 3.9Å; F56-L111 HydrophobicContact CE1-CD2 4.3Å; F56-L111 HydrophobicContact CE2-CD1 4.24Å; F56-L111 HydrophobicContact CE2-CD2 4.17Å; F56-L111 HydrophobicContact CZ-CD1 4.33Å; F56-L111 HydrophobicContact CZ-CD2 3.77Å
57	R	94.4	Very high	90.1	Very high	126 Å²	126	58.3 Å²	58.3	48%	0.475	34%	0.335	S	S	.	.	H	α-helix	trans	-57.5	-49.9	173.2	-173.3	169.5	57	172.8	-5.9	111.7	A50 S53 S54 Y55 F60 M61	A50-R57 HydrophobicContact CB-CB 3.99Å; A50-R57 HydrophobicContact CB-CG 4.38Å; A50-R57 WeakPolarHBondContact O-CB 3.38Å; S53-R57 WeakPolarHBondContact O-CB 3.42Å; S53-R57 PolarHBondContact O-N 2.98Å; S54-R57 PolarHBondContact O-N 3.19Å; S54-R57 PolarHBondContact OG-NH2 3.28Å; Y55-R57 PolarHBondContact O-N 3.26Å; R57-F60 PolarHBondContact O-N 2.9Å; R57-M61 HydrophobicContact CG-SD 3.73Å; R57-M61 WeakPolarHBondContact O-CB 3.49Å; R57-M61 VanDerWaalsContact O-CG 3.28Å; R57-M61 WeakPolarHBondContact O-CG 3.49Å; R57-M61 PolarHBondContact O-N 3.29Å
58	A	93.1	Very high	89.6	Confident	61 Å²	61	60 Å²	60	50%	0.504	34%	0.338	S	S	.	.	H	α-helix	trans	-62.2	-44.9	177	0	0	0	0	0	111.1	S54 Y55 F56 F60 M61 S62	S54-A58 WeakPolarHBondContact O-CB 3.32Å; S54-A58 PolarHBondContact O-N 3.2Å; Y55-A58 PolarHBondContact O-N 3.48Å; F56-A58 PolarHBondContact O-N 3.35Å; A58-F60 PolarHBondContact O-N 3.43Å; A58-M61 PolarHBondContact O-N 2.88Å; A58-S62 WeakPolarHBondContact O-CA 3.28Å; A58-S62 WeakPolarHBondContact O-CB 3.22Å; A58-S62 PolarHBondContact O-N 2.9Å; A58-S62 PolarHBondContact O-OG 3.31Å
59	M	92	Very high	89.1	Confident	18 Å²	18	63 Å²	63	9%	0.089	35%	0.352	C	S	.	.	H	α-helix	trans	-58	-47.6	179	-172.3	169.1	76.8	0	0	112.1	I33 Y55 F56 S62 E66 V72	I33-M59 HydrophobicContact CD1-CE 4.46Å; Y55-M59 HydrophobicContact CE1-SD 4.08Å; Y55-M59 WeakPolarHBondContact O-CB 2.96Å; Y55-M59 PolarHBondContact O-N 2.87Å; F56-M59 HydrophobicContact CD1-CE 3.53Å; F56-M59 HydrophobicContact CE1-CE 3.96Å; F56-M59 PolarHBondContact O-N 2.97Å; M59-S62 PolarHBondContact O-OG 3.39Å; M59-S62 VanDerWaalsContact O-OG 3.09Å; M59-E66 HydrophobicContact CG-CB 3.78Å; M59-E66 HydrophobicContact CG-CG 4.49Å; M59-E66 HydrophobicContact SD-CB 4.5Å; M59-V72 HydrophobicContact CE-CB 4.4Å; M59-V72 HydrophobicContact CE-CG1 3.9Å; M59-V72 HydrophobicContact CE-CG2 4.12Å; M59-V72 HydrophobicContact SD-CG1 3.92Å
60	F	91.2	Very high	88.8	Confident	27 Å²	27	66.8 Å²	66.8	12%	0.118	38%	0.375	C	S	.	.	H	α-helix	trans	-77.8	-27.4	-177.8	-55.1	-33.7	0	0	0	113.7	I33 K46 L49 A50 F56 R57 A58 S67	I33-F60 HydrophobicContact CD1-CD1 4.41Å; I33-F60 HydrophobicContact CD1-CE1 3.25Å; I33-F60 HydrophobicContact CD1-CZ 3.47Å; I33-F60 VanDerWaalsContact CD1-CZ 3.47Å; K46-F60 HydrophobicContact CB-CD2 3.69Å; K46-F60 HydrophobicContact CB-CE2 3.8Å; K46-F60 HydrophobicContact CB-CG 4.21Å; K46-F60 HydrophobicContact CB-CZ 4.38Å; K46-F60 HydrophobicContact CD-CD1 4.14Å; K46-F60 HydrophobicContact CD-CE1 4.41Å; K46-F60 HydrophobicContact CD-CG 4.23Å; K46-F60 HydrophobicContact CG-CD1 4.16Å; K46-F60 HydrophobicContact CG-CD2 3.99Å; K46-F60 HydrophobicContact CG-CE1 4.06Å; K46-F60 HydrophobicContact CG-CE2 3.91Å; K46-F60 HydrophobicContact CG-CG 4.15Å; K46-F60 HydrophobicContact CG-CZ 3.97Å; K46-F60 WeakPolarHBondContact O-CE2 3.49Å; L49-F60 HydrophobicContact CB-CE2 4.06Å; L49-F60 HydrophobicContact CD1-CZ 4.39Å; A50-F60 HydrophobicContact CB-CD2 4.13Å; F56-F60 HydrophobicContact CB-CD2 4.29Å; F56-F60 HydrophobicContact CB-CE2 3.69Å; F56-F60 HydrophobicContact CB-CZ 4.12Å; F56-F60 HydrophobicContact CD1-CZ 4.09Å; F56-F60 HydrophobicContact CG-CE2 4.32Å; F56-F60 HydrophobicContact CG-CZ 4.35Å; F56-F60 WeakPolarHBondContact O-CD2 3.36Å; F56-F60 WeakPolarHBondContact O-CG 3.4Å; F56-F60 PolarHBondContact O-N 3.49Å; R57-F60 PolarHBondContact O-N 2.9Å; A58-F60 PolarHBondContact O-N 3.43Å; F60-S67 WeakPolarHBondContact O-CB 3.42Å
61	M	89.9	Confident	88.7	Confident	150 Å²	150	70.3 Å²	70.3	74%	0.739	39%	0.388	S	S	*	.	H	α-helix	trans	-96.3	-10.9	-178.6	-64.2	-175.5	60.7	0	0	114.5	R57 A58 G63	R57-M61 HydrophobicContact CG-SD 3.73Å; R57-M61 WeakPolarHBondContact O-CB 3.49Å; R57-M61 VanDerWaalsContact O-CG 3.28Å; R57-M61 WeakPolarHBondContact O-CG 3.49Å; R57-M61 PolarHBondContact O-N 3.29Å; A58-M61 PolarHBondContact O-N 2.88Å; M61-G63 PolarHBondContact O-N 3.49Å
62	S	85.6	Confident	88.5	Confident	58 Å²	58	65 Å²	65	41%	0.406	36%	0.355	S	S	.	.	S	Bend	trans	-63.5	-20.6	-174.7	60.7	0	0	0	0	115.2	A58 M59 L64	A58-S62 WeakPolarHBondContact O-CA 3.28Å; A58-S62 WeakPolarHBondContact O-CB 3.22Å; A58-S62 PolarHBondContact O-N 2.9Å; A58-S62 PolarHBondContact O-OG 3.31Å; M59-S62 PolarHBondContact O-OG 3.39Å; M59-S62 VanDerWaalsContact O-OG 3.09Å; S62-L64 PolarHBondContact O-N 3.47Å; S62-L64 WeakPolarHBondContact OG-CB 3.47Å; S62-L64 PolarHBondContact OG-N 3.47Å
63	G	79.6	Confident	88.4	Confident	57 Å²	57	69.5 Å²	69.5	59%	0.588	37%	0.373	S	S	*	.			trans	72.3	2.7	-171.6	0	0	0	0	0	114.8	M61	M61-G63 PolarHBondContact O-N 3.49Å
64	L	82.8	Confident	88.2	Confident	110 Å²	110	69.9 Å²	69.9	58%	0.576	37%	0.374	S	S	*	.	S	Bend	trans	-75.1	178.2	176	-64.4	172.4	0	0	0	111.9	S62 E66 S67	S62-L64 PolarHBondContact O-N 3.47Å; S62-L64 WeakPolarHBondContact OG-CB 3.47Å; S62-L64 PolarHBondContact OG-N 3.47Å; L64-E66 PolarHBondContact O-N 2.97Å; L64-E66 VanDerWaalsContact O-N 3.14Å; L64-S67 WeakPolarHBondContact O-CB 3.37Å; L64-S67 PolarHBondContact O-N 3.45Å; L64-S67 PolarHBondContact O-OG 2.67Å
65	S	75.1	Confident	87.8	Confident	79 Å²	79	77.7 Å²	77.7	55%	0.552	40%	0.398	S	S	*	.	G	3₁₀ helix	trans	-46.9	-42.6	178.9	24.1	0	0	0	0	113.3	S67 K68 Q69	S65-S67 VanDerWaalsContact C-N 3.32Å; S65-S67 PolarHBondContact O-N 2.86Å; S65-K68 PolarHBondContact O-N 3.46Å; S65-Q69 PolarHBondContact O-N 3.29Å
66	E	76.2	Confident	87.4	Confident	71 Å²	71	81.8 Å²	81.8	33%	0.332	42%	0.424	S	S	.	.	G	3₁₀ helix	trans	-66.2	-31.7	-175.7	-67	81.7	170.2	0	0	112	M59 L64 K68 Q69	M59-E66 HydrophobicContact CG-CB 3.78Å; M59-E66 HydrophobicContact CG-CG 4.49Å; M59-E66 HydrophobicContact SD-CB 4.5Å; L64-E66 PolarHBondContact O-N 2.97Å; L64-E66 VanDerWaalsContact O-N 3.14Å; E66-K68 PolarHBondContact O-N 3.21Å; E66-Q69 PolarHBondContact O-N 3.49Å; E66-Q69 VanDerWaalsContact O-N 3.15Å
67	S	79.9	Confident	87.3	Confident	23 Å²	23	82 Å²	82	16%	0.161	43%	0.426	C	S	.	.	G	3₁₀ helix	trans	-60.6	-29.6	176.8	68.9	0	0	0	0	112.5	K46 F60 L64 S65	K46-S67 PolarHBondContact NZ-O 3.06Å; F60-S67 WeakPolarHBondContact O-CB 3.42Å; L64-S67 WeakPolarHBondContact O-CB 3.37Å; L64-S67 PolarHBondContact O-N 3.45Å; L64-S67 PolarHBondContact O-OG 2.67Å; S65-S67 VanDerWaalsContact C-N 3.32Å; S65-S67 PolarHBondContact O-N 2.86Å
68	K	83	Confident	87.2	Confident	177 Å²	177	78.5 Å²	78.5	77%	0.77	42%	0.416	S	S	*	.	G	3₁₀ helix	trans	-95.3	-8.4	-178.9	-59.6	-178	-175.7	176.1	0	113.5	S65 E66	S65-K68 PolarHBondContact O-N 3.46Å; E66-K68 PolarHBondContact O-N 3.21Å
69	Q	85.6	Confident	87.3	Confident	80 Å²	80	76.3 Å²	76.3	37%	0.374	40%	0.399	S	S	.	.			trans	-74	147.6	179.2	-73.9	175.4	-16.1	0	0	111.3	K46 S65 E66 V72	K46-Q69 PolarHBondContact NZ-O 3Å; S65-Q69 PolarHBondContact O-N 3.29Å; E66-Q69 PolarHBondContact O-N 3.49Å; E66-Q69 VanDerWaalsContact O-N 3.15Å; Q69-V72 HydrophobicContact CB-CG2 4.26Å
70	T	89.3	Confident	87.4	Confident	83 Å²	83	78.2 Å²	78.2	51%	0.509	42%	0.417	S	S	.	.	S	Bend	trans	-102.2	-17.4	170.5	53.4	0	0	0	0	112.1	I33 V34	I33-T70 CarbonylContact C-O 3.59Å; I33-T70 WeakPolarHBondContact CA-O 3.34Å; V34-T70 PolarHBondContact N-O 3.47Å
71	H	92.7	Very high	87.6	Confident	93 Å²	93	77 Å²	77	43%	0.431	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	125.2	177.4	-61.3	71.6	0	0	0	108.6	V34 I36	V34-H71 VanDerWaalsContact O-CA 3.32Å; V34-H71 WeakPolarHBondContact O-CA 3.43Å; I36-H71 HydrophobicContact CD1-CB 4.15Å
72	V	91.8	Very high	87.9	Confident	7 Å²	7	69.8 Å²	69.8	4%	0.042	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	120.6	-178.5	174.7	0	0	0	0	109.3	I33 V34 L35 I36 M59 Q69 L74	I33-V72 HydrophobicContact CD1-CB 4.34Å; I33-V72 HydrophobicContact CD1-CG2 3.78Å; I33-V72 HydrophobicContact CG1-CG2 4.48Å; V34-V72 PolarHBondContact O-N 3.12Å; L35-V72 CarbonylContact C-O 3.56Å; L35-V72 WeakPolarHBondContact CA-O 3.4Å; L35-V72 HydrophobicContact CD2-CB 4.14Å; I36-V72 PolarHBondContact N-O 3.23Å; M59-V72 HydrophobicContact CE-CB 4.4Å; M59-V72 HydrophobicContact CE-CG1 3.9Å; M59-V72 HydrophobicContact CE-CG2 4.12Å; M59-V72 HydrophobicContact SD-CG1 3.92Å; Q69-V72 HydrophobicContact CB-CG2 4.26Å; V72-L74 HydrophobicContact CG1-CD2 4.05Å
73	H	92.1	Very high	88.4	Confident	128 Å²	128	70.2 Å²	70.2	59%	0.593	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.8	114.4	174.9	-69	-86.3	0	0	0	110	I36	I36-H73 VanDerWaalsContact CD1-CE1 3.42Å; I36-H73 WeakPolarHBondContact CD1-CE1 3.4Å; I36-H73 WeakPolarHBondContact CG2-ND1 3.37Å; I36-H73 WeakPolarHBondContact O-CA 3.42Å
74	L	91.8	Very high	89.2	Confident	10 Å²	10	69 Å²	69	5%	0.052	35%	0.351	C	S	.	.			trans	-92.8	125.8	171.6	-55	170.7	0	0	0	108.5	L35 I36 V37 Y55 F56 V72 V77 L82	L35-L74 HydrophobicContact CB-CD1 4.41Å; L35-L74 HydrophobicContact CD1-CD1 4.15Å; L35-L74 HydrophobicContact CD2-CD1 4.36Å; I36-L74 PolarHBondContact O-N 2.84Å; V37-L74 HydrophobicContact CG2-CB 3.79Å; V37-L74 HydrophobicContact CG2-CD1 4.26Å; V37-L74 HydrophobicContact CG2-CG 4.41Å; Y55-L74 HydrophobicContact CE1-CD2 4.01Å; F56-L74 HydrophobicContact CE1-CD1 4.09Å; F56-L74 HydrophobicContact CE1-CD2 4.29Å; F56-L74 HydrophobicContact CZ-CD1 3.9Å; V72-L74 HydrophobicContact CG1-CD2 4.05Å; L74-V77 HydrophobicContact CB-CG2 4.39Å; L74-L82 HydrophobicContact CD1-CD1 4.42Å; L74-L82 HydrophobicContact CD1-CD2 4.21Å
75	R	88.7	Confident	89.8	Confident	205 Å²	205	64 Å²	64	77%	0.774	33%	0.325	S	S	*	.			trans	-100.8	151.6	175.1	-60.5	-178	-177.2	179.8	0.6	108.7	V77	R75-V77 VanDerWaalsContact C-N 3.25Å; R75-V77 PolarHBondContact O-N 3.21Å
76	N	86.7	Confident	90.8	Very high	152 Å²	152	60.3 Å²	60.3	81%	0.813	30%	0.299	S	S	*	.	S	Bend	trans	62.9	28.1	178.4	-48.5	-14	0	0	0	114.2
77	V	92.4	Very high	91.7	Very high	7 Å²	7	59.4 Å²	59.4	4%	0.042	30%	0.299	C	S	.	.			trans	-121.6	135	173.5	171.7	0	0	0	0	107	V37 L74 R75 L82 T107 F110	V37-V77 HydrophobicContact CG1-CB 4.4Å; V37-V77 HydrophobicContact CG1-CG1 4.43Å; V37-V77 WeakPolarHBondContact CG1-O 3.39Å; L74-V77 HydrophobicContact CB-CG2 4.39Å; R75-V77 VanDerWaalsContact C-N 3.25Å; R75-V77 PolarHBondContact O-N 3.21Å; V77-L82 HydrophobicContact CG1-CB 3.84Å; V77-L82 HydrophobicContact CG1-CD1 4.49Å; V77-T107 HydrophobicContact CG1-CG2 3.63Å; V77-T107 HydrophobicContact CG2-CG2 4.45Å; V77-F110 HydrophobicContact CG2-CD1 3.54Å; V77-F110 HydrophobicContact CG2-CE1 3.7Å; V77-F110 HydrophobicContact CG2-CG 4.49Å
78	D	91.7	Very high	92.5	Very high	52 Å²	52	60.1 Å²	60.1	28%	0.278	30%	0.298	S	S	.	.			trans	-78.4	138.5	173.5	171	84.4	0	0	0	110.3	A80 T81 L82	D78-A80 VanDerWaalsContact C-N 3.31Å; D78-A80 PolarHBondContact O-N 3.06Å; D78-A80 VanDerWaalsContact OD2-CA 3.31Å; D78-A80 WeakPolarHBondContact OD2-CA 3.13Å; D78-A80 WeakPolarHBondContact OD2-CB 3.47Å; D78-A80 PolarHBondContact OD2-N 2.89Å; D78-T81 HydrophobicContact CB-CG2 4.29Å; D78-T81 PolarHBondContact O-OG1 3.32Å; D78-T81 VanDerWaalsContact O-OG1 3.07Å; D78-T81 PolarHBondContact OD2-N 3.35Å; D78-L82 WeakPolarHBondContact O-CB 3.33Å; D78-L82 PolarHBondContact O-N 3.08Å; D78-L82 VanDerWaalsContact O-N 3.09Å
79	A	95	Very high	93.2	Very high	16 Å²	16	52.5 Å²	52.5	13%	0.132	27%	0.268	C	S	.	.	H	α-helix	trans	-65.1	-34.2	-177.2	0	0	0	0	0	112.5	V37 F42 Q83	V37-A79 HydrophobicContact CG1-CB 4.27Å; F42-A79 HydrophobicContact CE2-CB 4.47Å; F42-A79 HydrophobicContact CZ-CB 4.1Å; A79-Q83 PolarHBondContact O-N 3.16Å
80	A	94.2	Very high	93.7	Very high	57 Å²	57	48.8 Å²	48.8	47%	0.471	25%	0.251	S	S	.	.	H	α-helix	trans	-73.3	-42.7	-179	0	0	0	0	0	111.7	D78 Q83 I84	D78-A80 VanDerWaalsContact C-N 3.31Å; D78-A80 PolarHBondContact O-N 3.06Å; D78-A80 VanDerWaalsContact OD2-CA 3.31Å; D78-A80 WeakPolarHBondContact OD2-CA 3.13Å; D78-A80 WeakPolarHBondContact OD2-CB 3.47Å; D78-A80 PolarHBondContact OD2-N 2.89Å; A80-Q83 PolarHBondContact O-N 3.35Å; A80-I84 WeakPolarHBondContact O-CG1 3.46Å; A80-I84 PolarHBondContact O-N 2.86Å; A80-I84 VanDerWaalsContact O-N 3.1Å
81	T	95.2	Very high	93.9	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.006	24%	0.238	C	C	.	.	H	α-helix	trans	-66.8	-37.9	175.9	60.9	0	0	0	0	112	D78 Q83 I84 I85 Q103 L104 T107	D78-T81 HydrophobicContact CB-CG2 4.29Å; D78-T81 PolarHBondContact O-OG1 3.32Å; D78-T81 VanDerWaalsContact O-OG1 3.07Å; D78-T81 PolarHBondContact OD2-N 3.35Å; T81-Q83 VanDerWaalsContact C-N 3.35Å; T81-I84 WeakPolarHBondContact O-CB 3.42Å; T81-I84 PolarHBondContact O-N 3.05Å; T81-I85 PolarHBondContact O-N 3.1Å; T81-Q103 HydrophobicContact CG2-CB 3.73Å; T81-L104 HydrophobicContact CG2-CB 4.33Å; T81-T107 WeakPolarHBondContact CB-OG1 3.29Å; T81-T107 PolarHBondContact OG1-OG1 2.83Å
82	L	96.3	Very high	93.9	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-61.6	-44.5	173.7	-178.2	64.4	0	0	0	111	L35 V37 F42 L74 V77 D78 I84 I85 I86 L111	L35-L82 HydrophobicContact CB-CD2 4.49Å; L35-L82 HydrophobicContact CD1-CD1 4.45Å; L35-L82 HydrophobicContact CD1-CD2 4.36Å; V37-L82 HydrophobicContact CB-CD2 4.25Å; V37-L82 HydrophobicContact CG2-CD2 3.46Å; V37-L82 VanDerWaalsContact CG2-CD2 3.46Å; F42-L82 HydrophobicContact CD2-CD2 3.9Å; F42-L82 HydrophobicContact CE2-CD2 4.02Å; F42-L82 HydrophobicContact CG-CD2 4.38Å; L74-L82 HydrophobicContact CD1-CD1 4.42Å; L74-L82 HydrophobicContact CD1-CD2 4.21Å; V77-L82 HydrophobicContact CG1-CB 3.84Å; V77-L82 HydrophobicContact CG1-CD1 4.49Å; D78-L82 WeakPolarHBondContact O-CB 3.33Å; D78-L82 PolarHBondContact O-N 3.08Å; D78-L82 VanDerWaalsContact O-N 3.09Å; L82-I84 VanDerWaalsContact C-N 3.26Å; L82-I84 PolarHBondContact O-N 3.16Å; L82-I85 PolarHBondContact O-N 3.21Å; L82-I85 VanDerWaalsContact O-N 3.16Å; L82-I86 HydrophobicContact CD1-CD1 4.11Å; L82-I86 HydrophobicContact CD1-CG1 4.21Å; L82-I86 HydrophobicContact CD2-CD1 4.21Å; L82-I86 HydrophobicContact CG-CD1 3.73Å; L82-I86 HydrophobicContact CG-CG1 4.24Å; L82-I86 VanDerWaalsContact O-CG1 3.32Å; L82-I86 WeakPolarHBondContact O-CG1 3.38Å; L82-I86 PolarHBondContact O-N 3.34Å; L82-L111 HydrophobicContact CD1-CD1 3.78Å
83	Q	95.5	Very high	94	Very high	66 Å²	66	50 Å²	50	31%	0.308	27%	0.271	S	S	.	.	H	α-helix	trans	-58.5	-39.5	175.8	-176.5	59.7	52.8	0	0	111.5	Y25 F42 A79 A80 T81 I86 T87	Y25-Q83 PolarHBondContact OH-NE2 2.85Å; Y25-Q83 VanDerWaalsContact OH-NE2 3.1Å; Y25-Q83 PolarHBondContact OH-OE1 3.49Å; F42-Q83 HydrophobicContact CE1-CB 4.05Å; A79-Q83 PolarHBondContact O-N 3.16Å; A80-Q83 PolarHBondContact O-N 3.35Å; T81-Q83 VanDerWaalsContact C-N 3.35Å; Q83-I86 PolarHBondContact O-N 3.31Å; Q83-T87 PolarHBondContact NE2-OG1 2.85Å; Q83-T87 VanDerWaalsContact NE2-OG1 3.11Å; Q83-T87 VanDerWaalsContact O-CB 3.26Å; Q83-T87 WeakPolarHBondContact O-CB 3.48Å; Q83-T87 PolarHBondContact O-N 3.09Å; Q83-T87 PolarHBondContact O-OG1 3.41Å
84	I	96.3	Very high	94.1	Very high	31 Å²	31	45 Å²	45	16%	0.159	25%	0.248	C	C	.	.	H	α-helix	trans	-62.1	-46.3	175.9	-66.3	167	0	0	0	110.8	A80 T81 L82 T87 Y88 L94 L104	A80-I84 WeakPolarHBondContact O-CG1 3.46Å; A80-I84 PolarHBondContact O-N 2.86Å; A80-I84 VanDerWaalsContact O-N 3.1Å; T81-I84 WeakPolarHBondContact O-CB 3.42Å; T81-I84 PolarHBondContact O-N 3.05Å; L82-I84 VanDerWaalsContact C-N 3.26Å; L82-I84 PolarHBondContact O-N 3.16Å; I84-T87 PolarHBondContact O-N 3.07Å; I84-Y88 WeakPolarHBondContact O-CB 3.34Å; I84-Y88 PolarHBondContact O-N 3.39Å; I84-L94 HydrophobicContact CG2-CD1 3.83Å; I84-L104 HydrophobicContact CB-CD1 4.19Å; I84-L104 HydrophobicContact CG2-CD1 3.89Å; I84-L104 HydrophobicContact CG2-CD2 4.08Å
85	I	96.6	Very high	94.2	Very high	6 Å²	6	47.6 Å²	47.6	3%	0.031	27%	0.271	C	S	.	.	H	α-helix	trans	-65.8	-41.9	179.4	-67.7	171.6	0	0	0	111.6	T81 L82 Y88 A89 L104 T107 A108 L111 V113	T81-I85 PolarHBondContact O-N 3.1Å; L82-I85 PolarHBondContact O-N 3.21Å; L82-I85 VanDerWaalsContact O-N 3.16Å; I85-Y88 WeakPolarHBondContact O-CB 3.38Å; I85-Y88 PolarHBondContact O-N 2.95Å; I85-A89 PolarHBondContact O-N 2.94Å; I85-L104 HydrophobicContact CD1-CD1 4.11Å; I85-L104 HydrophobicContact CG1-CD1 3.71Å; I85-T107 HydrophobicContact CD1-CG2 3.63Å; I85-A108 HydrophobicContact CD1-CB 4.21Å; I85-L111 HydrophobicContact CD1-CD1 4Å; I85-L111 HydrophobicContact CG2-CD1 4.49Å; I85-V113 HydrophobicContact CG2-CG2 4.07Å
86	I	96.4	Very high	94.2	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	25%	0.246	C	C	.	.	H	α-helix	trans	-62.4	-47.9	175.4	-68.6	171.6	0	0	0	109.6	Y25 L35 F42 L49 L82 Q83 Y88 A89 Y90	Y25-I86 HydrophobicContact CE1-CG2 4.18Å; Y25-I86 HydrophobicContact CE2-CG2 3.74Å; Y25-I86 WeakPolarHBondContact OH-CG2 3.26Å; L35-I86 HydrophobicContact CD1-CD1 4.3Å; F42-I86 HydrophobicContact CB-CD1 3.79Å; F42-I86 HydrophobicContact CD1-CD1 3.91Å; F42-I86 HydrophobicContact CG-CD1 3.96Å; L49-I86 HydrophobicContact CD2-CG1 4.39Å; L82-I86 HydrophobicContact CD1-CD1 4.11Å; L82-I86 HydrophobicContact CD1-CG1 4.21Å; L82-I86 HydrophobicContact CD2-CD1 4.21Å; L82-I86 HydrophobicContact CG-CD1 3.73Å; L82-I86 HydrophobicContact CG-CG1 4.24Å; L82-I86 VanDerWaalsContact O-CG1 3.32Å; L82-I86 WeakPolarHBondContact O-CG1 3.38Å; L82-I86 PolarHBondContact O-N 3.34Å; Q83-I86 PolarHBondContact O-N 3.31Å; I86-Y88 VanDerWaalsContact C-N 3.28Å; I86-Y88 PolarHBondContact O-N 3.29Å; I86-A89 WeakPolarHBondContact O-CB 3.31Å; I86-A89 PolarHBondContact O-N 3.26Å; I86-Y90 HydrophobicContact CG2-CD2 3.87Å; I86-Y90 HydrophobicContact CG2-CE2 3.73Å; I86-Y90 WeakPolarHBondContact O-CD2 3.21Å; I86-Y90 PolarHBondContact O-N 3.44Å; I86-Y90 VanDerWaalsContact O-N 3.16Å
87	T	95.5	Very high	94.4	Very high	53 Å²	53	35.9 Å²	35.9	33%	0.325	22%	0.223	S	C	.	.	H	α-helix	trans	-58.4	-42.7	177	-55.2	0	0	0	0	110.7	Q83 I84 A89 Y90 T91	Q83-T87 PolarHBondContact NE2-OG1 2.85Å; Q83-T87 VanDerWaalsContact NE2-OG1 3.11Å; Q83-T87 VanDerWaalsContact O-CB 3.26Å; Q83-T87 WeakPolarHBondContact O-CB 3.48Å; Q83-T87 PolarHBondContact O-N 3.09Å; Q83-T87 PolarHBondContact O-OG1 3.41Å; I84-T87 PolarHBondContact O-N 3.07Å; T87-A89 PolarHBondContact O-N 2.75Å; T87-Y90 PolarHBondContact O-N 2.92Å; T87-T91 HydrophobicContact CG2-CG2 4.18Å; T87-T91 WeakPolarHBondContact O-CB 3.39Å; T87-T91 VanDerWaalsContact O-CG2 3.29Å; T87-T91 WeakPolarHBondContact O-CG2 3.27Å; T87-T91 PolarHBondContact O-N 3.42Å; T87-T91 PolarHBondContact O-OG1 2.88Å
88	Y	96.5	Very high	94.1	Very high	37 Å²	37	40.2 Å²	40.2	15%	0.145	25%	0.246	C	C	.	.	H	α-helix	trans	-59.7	-44.8	173.6	169.9	-103.4	0	0	0	112	I84 I85 I86 Y90 T91 G92 L94 V113 D115 V116	I84-Y88 WeakPolarHBondContact O-CB 3.34Å; I84-Y88 PolarHBondContact O-N 3.39Å; I85-Y88 WeakPolarHBondContact O-CB 3.38Å; I85-Y88 PolarHBondContact O-N 2.95Å; I86-Y88 VanDerWaalsContact C-N 3.28Å; I86-Y88 PolarHBondContact O-N 3.29Å; Y88-Y90 PolarHBondContact O-N 3.4Å; Y88-T91 PolarHBondContact O-N 2.91Å; Y88-G92 WeakPolarHBondContact O-CA 3.35Å; Y88-G92 PolarHBondContact O-N 3.32Å; Y88-L94 HydrophobicContact CD2-CB 3.93Å; Y88-L94 HydrophobicContact CD2-CD1 4.35Å; Y88-L94 HydrophobicContact CE2-CB 4.44Å; Y88-L94 HydrophobicContact CG-CD1 4.26Å; Y88-V113 HydrophobicContact CE1-CG1 4.47Å; Y88-D115 VanDerWaalsContact OH-CB 3.27Å; Y88-D115 WeakPolarHBondContact OH-CB 3.4Å; Y88-V116 HydrophobicContact CD1-CG2 3.45Å; Y88-V116 VanDerWaalsContact CD1-CG2 3.45Å; Y88-V116 HydrophobicContact CE1-CG2 3.55Å; Y88-V116 HydrophobicContact CG-CG2 4.03Å
89	A	96.3	Very high	94	Very high	17 Å²	17	42.5 Å²	42.5	14%	0.14	27%	0.266	C	S	.	.	H	α-helix	trans	-60	-31.1	179.1	0	0	0	0	0	113.3	V48 C52 I85 I86 T87	V48-A89 HydrophobicContact CG1-CB 4.06Å; C52-A89 HydrophobicContact CB-CB 3.96Å; I85-A89 PolarHBondContact O-N 2.94Å; I86-A89 WeakPolarHBondContact O-CB 3.31Å; I86-A89 PolarHBondContact O-N 3.26Å; T87-A89 PolarHBondContact O-N 2.75Å
90	Y	96.3	Very high	93.9	Very high	2 Å²	2	43 Å²	43	1%	0.008	27%	0.267	C	S	.	.	H	α-helix	trans	-94.3	-12.9	177.7	-71.2	-75.9	0	0	0	115	L18 L21 Y25 H45 V48 I86 T87 Y88	L18-Y90 VanDerWaalsContact CD1-O 3.28Å; L18-Y90 WeakPolarHBondContact CD1-O 3.41Å; L18-Y90 VanDerWaalsContact CG-O 3.3Å; L18-Y90 WeakPolarHBondContact CG-O 3.43Å; L21-Y90 HydrophobicContact CB-CD1 4.18Å; Y25-Y90 AromaticContact CD1-CD2 3.81Å; Y25-Y90 HydrophobicContact CD1-CD2 3.81Å; Y25-Y90 HydrophobicContact CD1-CE2 4.12Å; Y25-Y90 HydrophobicContact CD1-CG 4.21Å; Y25-Y90 HydrophobicContact CD2-CD2 4.04Å; Y25-Y90 AromaticContact CD2-CE2 3.47Å; Y25-Y90 HydrophobicContact CD2-CE2 3.47Å; Y25-Y90 VanDerWaalsContact CD2-CE2 3.47Å; Y25-Y90 AromaticContact CD2-CZ 3.79Å; Y25-Y90 HydrophobicContact CE1-CD2 4.25Å; Y25-Y90 HydrophobicContact CE2-CD2 4.47Å; Y25-Y90 AromaticContact CE2-CE2 3.97Å; Y25-Y90 HydrophobicContact CE2-CE2 3.97Å; Y25-Y90 HydrophobicContact CG-CD1 4.36Å; Y25-Y90 AromaticContact CG-CD2 3.68Å; Y25-Y90 HydrophobicContact CG-CD2 3.68Å; Y25-Y90 HydrophobicContact CG-CE1 4.24Å; Y25-Y90 AromaticContact CG-CE2 3.56Å; Y25-Y90 HydrophobicContact CG-CE2 3.56Å; Y25-Y90 HydrophobicContact CG-CG 4.11Å; Y25-Y90 AromaticContact CG-CZ 3.86Å; H45-Y90 PolarHBondContact N-OH 3.47Å; H45-Y90 AromaticContact ND1-CE1 3.5Å; H45-Y90 AromaticContact ND1-CZ 3.56Å; H45-Y90 PolarHBondContact ND1-OH 3.03Å; V48-Y90 HydrophobicContact CB-CE1 3.99Å; V48-Y90 HydrophobicContact CG1-CD1 3.97Å; V48-Y90 HydrophobicContact CG1-CE1 3.73Å; V48-Y90 HydrophobicContact CG1-CE2 4.38Å; V48-Y90 HydrophobicContact CG1-CG 4.39Å; V48-Y90 HydrophobicContact CG2-CD1 4.5Å; V48-Y90 HydrophobicContact CG2-CE1 3.82Å; I86-Y90 HydrophobicContact CG2-CD2 3.87Å; I86-Y90 HydrophobicContact CG2-CE2 3.73Å; I86-Y90 WeakPolarHBondContact O-CD2 3.21Å; I86-Y90 PolarHBondContact O-N 3.44Å; I86-Y90 VanDerWaalsContact O-N 3.16Å; T87-Y90 PolarHBondContact O-N 2.92Å; Y88-Y90 PolarHBondContact O-N 3.4Å
91	T	94.3	Very high	93.9	Very high	40 Å²	40	40.4 Å²	40.4	25%	0.245	25%	0.246	C	C	.	.	H	α-helix	trans	-125.4	-17.3	-173	66	0	0	0	0	114.4	K22 T87 Y88 N93	K22-T91 HydrophobicContact CD-CG2 3.87Å; K22-T91 HydrophobicContact CG-CG2 4.2Å; T87-T91 HydrophobicContact CG2-CG2 4.18Å; T87-T91 WeakPolarHBondContact O-CB 3.39Å; T87-T91 VanDerWaalsContact O-CG2 3.29Å; T87-T91 WeakPolarHBondContact O-CG2 3.27Å; T87-T91 PolarHBondContact O-N 3.42Å; T87-T91 PolarHBondContact O-OG1 2.88Å; Y88-T91 PolarHBondContact O-N 2.91Å; T91-N93 PolarHBondContact O-N 3.1Å; T91-N93 VanDerWaalsContact O-N 3.13Å; T91-N93 PolarHBondContact OG1-N 3.46Å; T91-N93 PolarHBondContact OG1-O 2.58Å
92	G	93	Very high	93.9	Very high	51 Å²	51	42.1 Å²	42.1	53%	0.526	25%	0.254	S	S	.	.	S	Bend	trans	65.3	3	-169.6	0	0	0	0	0	114	Y88	Y88-G92 WeakPolarHBondContact O-CA 3.35Å; Y88-G92 PolarHBondContact O-N 3.32Å
93	N	93.4	Very high	93.8	Very high	119 Å²	119	46.5 Å²	46.5	64%	0.636	27%	0.274	S	S	*	.			trans	-105.2	122.6	-178.8	-171.8	19.6	0	0	0	110.4	T91	T91-N93 PolarHBondContact O-N 3.1Å; T91-N93 VanDerWaalsContact O-N 3.13Å; T91-N93 PolarHBondContact OG1-N 3.46Å; T91-N93 PolarHBondContact OG1-O 2.58Å
94	L	94.7	Very high	93.9	Very high	22 Å²	22	43.4 Å²	43.4	12%	0.115	26%	0.26	C	S	.	.			trans	-101.9	106.8	-179.9	-172.3	66	0	0	0	109.4	I84 Y88 M96 L104 V116 R119	I84-L94 HydrophobicContact CG2-CD1 3.83Å; Y88-L94 HydrophobicContact CD2-CB 3.93Å; Y88-L94 HydrophobicContact CD2-CD1 4.35Å; Y88-L94 HydrophobicContact CE2-CB 4.44Å; Y88-L94 HydrophobicContact CG-CD1 4.26Å; L94-M96 HydrophobicContact CD2-CG 3.96Å; L94-M96 HydrophobicContact CD2-SD 3.83Å; L94-M96 HydrophobicContact CG-CG 3.84Å; L94-M96 HydrophobicContact CG-SD 4.32Å; L94-M96 PolarHBondContact O-N 3.47Å; L94-L104 HydrophobicContact CD1-CD2 4.19Å; L94-V116 HydrophobicContact CD1-CG1 4.08Å; L94-V116 HydrophobicContact CD1-CG2 4.11Å; L94-V116 HydrophobicContact CD2-CG1 4.05Å; L94-V116 HydrophobicContact CD2-CG2 4.45Å; L94-R119 HydrophobicContact CD2-CB 3.61Å; L94-R119 HydrophobicContact CD2-CG 4.26Å
95	A	92.1	Very high	93.9	Very high	65 Å²	65	42.3 Å²	42.3	54%	0.537	25%	0.254	S	S	.	.			trans	-76.5	120.3	171.6	0	0	0	0	0	109.4
96	M	90.1	Very high	93.9	Very high	51 Å²	51	47 Å²	47	25%	0.251	28%	0.276	S	S	.	.			trans	-122.2	144.5	-178.4	-60	-179	66.4	0	0	110.3	L94 V101 R119 C120 Y123	L94-M96 HydrophobicContact CD2-CG 3.96Å; L94-M96 HydrophobicContact CD2-SD 3.83Å; L94-M96 HydrophobicContact CG-CG 3.84Å; L94-M96 HydrophobicContact CG-SD 4.32Å; L94-M96 PolarHBondContact O-N 3.47Å; M96-V101 HydrophobicContact CE-CG2 3.68Å; M96-R119 HydrophobicContact SD-CB 4.43Å; M96-C120 HydrophobicContact CE-CB 4.38Å; M96-Y123 HydrophobicContact CB-CD2 4.3Å; M96-Y123 HydrophobicContact CB-CE2 4.21Å; M96-Y123 HydrophobicContact CE-CD1 3.89Å; M96-Y123 HydrophobicContact CE-CD2 3.68Å; M96-Y123 HydrophobicContact CE-CG 3.31Å; M96-Y123 HydrophobicContact SD-CD2 4.1Å; M96-Y123 HydrophobicContact SD-CG 4.29Å
97	N	90.1	Very high	93.8	Very high	60 Å²	60	47.3 Å²	47.3	32%	0.321	28%	0.277	S	S	.	.			trans	-144.5	158.7	175	64.5	60.7	0	0	0	109.3	S99 T100 V101	N97-S99 VanDerWaalsContact C-N 3.29Å; N97-S99 PolarHBondContact O-N 2.95Å; N97-S99 PolarHBondContact OD1-N 2.9Å; N97-S99 PolarHBondContact OD1-OG 3.43Å; N97-S99 VanDerWaalsContact OD1-OG 3.12Å; N97-T100 PolarHBondContact ND2-OG1 2.82Å; N97-T100 WeakPolarHBondContact OD1-CA 3.4Å; N97-T100 VanDerWaalsContact OD1-CB 3.27Å; N97-T100 WeakPolarHBondContact OD1-CB 3.38Å; N97-T100 VanDerWaalsContact OD1-CG2 3.26Å; N97-T100 WeakPolarHBondContact OD1-CG2 3.45Å; N97-T100 PolarHBondContact OD1-N 3.39Å; N97-T100 PolarHBondContact OD1-OG1 3.36Å; N97-V101 WeakPolarHBondContact O-CB 3.27Å; N97-V101 PolarHBondContact O-N 3.32Å; N97-V101 VanDerWaalsContact O-N 3.15Å
98	D	87.4	Confident	93.9	Very high	97 Å²	97	44.8 Å²	44.8	52%	0.519	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-28.9	-173.6	-66.7	-30.2	0	0	0	113.2	Y123	D98-Y123 VanDerWaalsContact OD1-CE1 3.28Å; D98-Y123 WeakPolarHBondContact OD1-CE1 3.4Å; D98-Y123 VanDerWaalsContact OD1-CZ 3.27Å; D98-Y123 PolarHBondContact OD1-OH 3.14Å
99	S	88.7	Confident	93.8	Very high	101 Å²	101	45.3 Å²	45.3	71%	0.706	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-28	-176.1	57.4	0	0	0	0	114.2	N97	N97-S99 VanDerWaalsContact C-N 3.29Å; N97-S99 PolarHBondContact O-N 2.95Å; N97-S99 PolarHBondContact OD1-N 2.9Å; N97-S99 PolarHBondContact OD1-OG 3.43Å; N97-S99 VanDerWaalsContact OD1-OG 3.12Å
100	T	92.1	Very high	93.8	Very high	26 Å²	26	48.5 Å²	48.5	16%	0.16	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.5	-9.3	-175.7	76	0	0	0	0	113.2	N97 E102 Q103 L104	N97-T100 PolarHBondContact ND2-OG1 2.82Å; N97-T100 WeakPolarHBondContact OD1-CA 3.4Å; N97-T100 VanDerWaalsContact OD1-CB 3.27Å; N97-T100 WeakPolarHBondContact OD1-CB 3.38Å; N97-T100 VanDerWaalsContact OD1-CG2 3.26Å; N97-T100 WeakPolarHBondContact OD1-CG2 3.45Å; N97-T100 PolarHBondContact OD1-N 3.39Å; N97-T100 PolarHBondContact OD1-OG1 3.36Å; T100-E102 VanDerWaalsContact C-N 3.28Å; T100-E102 PolarHBondContact O-N 2.78Å; T100-Q103 PolarHBondContact O-N 3.4Å; T100-L104 WeakPolarHBondContact O-CB 3.39Å; T100-L104 PolarHBondContact O-N 3.27Å
101	V	95.4	Very high	93.8	Very high	3 Å²	3	48.4 Å²	48.4	2%	0.018	28%	0.281	C	S	.	.	H	α-helix	trans	-59.6	-35.6	-174.9	59.4	0	0	0	0	113.2	M96 N97 Y105 C120 Y123 L124	M96-V101 HydrophobicContact CE-CG2 3.68Å; N97-V101 WeakPolarHBondContact O-CB 3.27Å; N97-V101 PolarHBondContact O-N 3.32Å; N97-V101 VanDerWaalsContact O-N 3.15Å; V101-Y105 WeakPolarHBondContact O-CB 3.22Å; V101-Y105 PolarHBondContact O-N 3.45Å; V101-C120 HydrophobicContact CG2-CB 4.21Å; V101-Y123 HydrophobicContact CB-CD1 4.32Å; V101-Y123 HydrophobicContact CB-CE1 4.42Å; V101-Y123 HydrophobicContact CG1-CD1 4.31Å; V101-Y123 HydrophobicContact CG1-CE1 4.23Å; V101-Y123 HydrophobicContact CG2-CD1 3.88Å; V101-Y123 HydrophobicContact CG2-CE1 4.46Å; V101-L124 HydrophobicContact CG1-CD2 3.68Å; V101-L124 HydrophobicContact CG2-CD2 4.04Å; V101-L124 HydrophobicContact CG2-CG 4.01Å
102	E	95.2	Very high	93.9	Very high	36 Å²	36	51.5 Å²	51.5	17%	0.168	29%	0.292	C	S	.	.	H	α-helix	trans	-72.2	-44.4	179	-73.8	170.5	-147.4	0	0	112.3	T100 L104 Y105 E106 L124 R135 F139	T100-E102 VanDerWaalsContact C-N 3.28Å; T100-E102 PolarHBondContact O-N 2.78Å; E102-L104 VanDerWaalsContact C-N 3.28Å; E102-L104 PolarHBondContact O-N 2.85Å; E102-Y105 PolarHBondContact O-N 2.88Å; E102-E106 PolarHBondContact O-N 3.27Å; E102-L124 HydrophobicContact CG-CD2 4.17Å; E102-R135 IonicContact OE1-CZ 3.44Å; E102-R135 IonicContact OE1-NH1 3.6Å; E102-R135 PolarHBondContact OE1-NH1 2.82Å; E102-R135 IonicContact OE1-NH2 2.98Å; E102-R135 PolarHBondContact OE1-NH2 3.43Å; E102-R135 IonicContact OE2-CZ 2.63Å; E102-R135 IonicContact OE2-NH1 3.17Å; E102-R135 PolarHBondContact OE2-NH1 2.92Å; E102-F139 HydrophobicContact CB-CD2 4.31Å; E102-F139 HydrophobicContact CB-CE2 3.72Å; E102-F139 HydrophobicContact CB-CZ 4.16Å; E102-F139 HydrophobicContact CG-CD2 4.19Å; E102-F139 HydrophobicContact CG-CE2 3.94Å; E102-F139 HydrophobicContact CG-CZ 4.23Å
103	Q	94.8	Very high	94.1	Very high	93 Å²	93	49.1 Å²	49.1	44%	0.435	27%	0.268	S	S	.	.	H	α-helix	trans	-63.9	-37.5	174	-63.5	174.1	-26.6	0	0	111.1	T81 T100 E106 T107	T81-Q103 HydrophobicContact CG2-CB 3.73Å; T100-Q103 PolarHBondContact O-N 3.4Å; Q103-E106 PolarHBondContact O-N 3.44Å; Q103-T107 WeakPolarHBondContact O-CB 3.21Å; Q103-T107 PolarHBondContact O-N 3.12Å; Q103-T107 PolarHBondContact O-OG1 3.07Å
104	L	96.5	Very high	94.2	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-64.5	-42.5	174.5	176.9	62.7	0	0	0	111	T81 I84 I85 L94 T100 E102 T107 A108 V116	T81-L104 HydrophobicContact CG2-CB 4.33Å; I84-L104 HydrophobicContact CB-CD1 4.19Å; I84-L104 HydrophobicContact CG2-CD1 3.89Å; I84-L104 HydrophobicContact CG2-CD2 4.08Å; I85-L104 HydrophobicContact CD1-CD1 4.11Å; I85-L104 HydrophobicContact CG1-CD1 3.71Å; L94-L104 HydrophobicContact CD1-CD2 4.19Å; T100-L104 WeakPolarHBondContact O-CB 3.39Å; T100-L104 PolarHBondContact O-N 3.27Å; E102-L104 VanDerWaalsContact C-N 3.28Å; E102-L104 PolarHBondContact O-N 2.85Å; L104-T107 PolarHBondContact O-N 2.72Å; L104-A108 VanDerWaalsContact O-CB 3.22Å; L104-A108 WeakPolarHBondContact O-CB 3.41Å; L104-A108 PolarHBondContact O-N 2.78Å; L104-V116 HydrophobicContact CD1-CG1 4.26Å; L104-V116 HydrophobicContact CG-CG1 4.23Å
105	Y	96.7	Very high	94.3	Very high	9 Å²	9	52.9 Å²	52.9	4%	0.035	28%	0.284	C	S	.	.	H	α-helix	trans	-63.3	-44.9	175.1	-173.8	-73.2	0	0	0	111.3	V101 E102 T107 A108 C109 L117 C120 R121 L124 F139 F143	V101-Y105 WeakPolarHBondContact O-CB 3.22Å; V101-Y105 PolarHBondContact O-N 3.45Å; E102-Y105 PolarHBondContact O-N 2.88Å; Y105-T107 VanDerWaalsContact C-N 3.34Å; Y105-T107 PolarHBondContact O-N 3.31Å; Y105-A108 PolarHBondContact O-N 3.35Å; Y105-C109 VanDerWaalsContact O-CB 3.29Å; Y105-C109 WeakPolarHBondContact O-CB 3.26Å; Y105-C109 PolarHBondContact O-N 3.22Å; Y105-L117 HydrophobicContact CD1-CD2 4.01Å; Y105-L117 HydrophobicContact CD2-CD2 3.98Å; Y105-L117 HydrophobicContact CE1-CD2 3.84Å; Y105-L117 HydrophobicContact CE2-CB 4.47Å; Y105-L117 HydrophobicContact CE2-CD2 3.81Å; Y105-L117 HydrophobicContact CG-CD2 4.06Å; Y105-L117 WeakPolarHBondContact O-CD2 3.29Å; Y105-C120 HydrophobicContact CD2-CB 3.57Å; Y105-C120 HydrophobicContact CE2-CB 4.5Å; Y105-C120 HydrophobicContact CG-CB 4.33Å; Y105-R121 HydrophobicContact CE2-CB 4.35Å; Y105-L124 HydrophobicContact CD2-CD1 4.35Å; Y105-F139 AromaticContact CD1-CE1 3.8Å; Y105-F139 HydrophobicContact CD1-CE1 3.8Å; Y105-F139 AromaticContact CD1-CZ 3.66Å; Y105-F139 HydrophobicContact CD1-CZ 3.66Å; Y105-F139 HydrophobicContact CE1-CE1 4.3Å; Y105-F139 HydrophobicContact CG-CE1 4.02Å; Y105-F139 AromaticContact CG-CZ 3.91Å; Y105-F139 HydrophobicContact CG-CZ 3.91Å; Y105-F143 HydrophobicContact CD1-CD1 4.41Å; Y105-F143 HydrophobicContact CD1-CD2 4.23Å; Y105-F143 HydrophobicContact CD1-CG 4.12Å; Y105-F143 HydrophobicContact CE1-CB 3.75Å; Y105-F143 HydrophobicContact CE1-CD1 4.23Å; Y105-F143 HydrophobicContact CE1-CD2 4.28Å; Y105-F143 AromaticContact CE1-CG 3.82Å; Y105-F143 HydrophobicContact CE1-CG 3.82Å
106	E	95.6	Very high	94.5	Very high	105 Å²	105	49.8 Å²	49.8	49%	0.491	26%	0.259	S	S	.	.	H	α-helix	trans	-57.2	-47.2	174.5	179.3	173.4	-171	0	0	111.4	E102 Q103 C109 F110 F143	E102-E106 PolarHBondContact O-N 3.27Å; Q103-E106 PolarHBondContact O-N 3.44Å; E106-C109 WeakPolarHBondContact O-CB 3.27Å; E106-C109 PolarHBondContact O-N 3.1Å; E106-F110 PolarHBondContact O-N 3.39Å; E106-F143 HydrophobicContact CB-CE1 4.13Å; E106-F143 HydrophobicContact CB-CZ 3.65Å; E106-F143 HydrophobicContact CG-CE1 4.07Å; E106-F143 HydrophobicContact CG-CZ 3.73Å
107	T	95.8	Very high	94.8	Very high	7 Å²	7	48 Å²	48	4%	0.043	25%	0.25	C	S	.	.	H	α-helix	trans	-65.2	-43.3	178.8	-53.3	0	0	0	0	111.7	V77 T81 I85 Q103 L104 Y105 C109 F110 L111	V77-T107 HydrophobicContact CG1-CG2 3.63Å; V77-T107 HydrophobicContact CG2-CG2 4.45Å; T81-T107 WeakPolarHBondContact CB-OG1 3.29Å; T81-T107 PolarHBondContact OG1-OG1 2.83Å; I85-T107 HydrophobicContact CD1-CG2 3.63Å; Q103-T107 WeakPolarHBondContact O-CB 3.21Å; Q103-T107 PolarHBondContact O-N 3.12Å; Q103-T107 PolarHBondContact O-OG1 3.07Å; L104-T107 PolarHBondContact O-N 2.72Å; Y105-T107 VanDerWaalsContact C-N 3.34Å; Y105-T107 PolarHBondContact O-N 3.31Å; T107-C109 VanDerWaalsContact C-N 3.28Å; T107-C109 PolarHBondContact O-N 2.83Å; T107-F110 PolarHBondContact O-N 2.9Å; T107-L111 HydrophobicContact CG2-CD1 3.92Å; T107-L111 HydrophobicContact CG2-CG 4.39Å; T107-L111 WeakPolarHBondContact O-CB 3.45Å; T107-L111 WeakPolarHBondContact O-CG 3.45Å; T107-L111 PolarHBondContact O-N 3.19Å
108	A	96.4	Very high	95.1	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-65.8	-32.5	177.1	0	0	0	0	0	112	I85 L104 Y105 L111 Q112 V113 V116 L117	I85-A108 HydrophobicContact CD1-CB 4.21Å; L104-A108 VanDerWaalsContact O-CB 3.22Å; L104-A108 WeakPolarHBondContact O-CB 3.41Å; L104-A108 PolarHBondContact O-N 2.78Å; Y105-A108 PolarHBondContact O-N 3.35Å; A108-L111 CarbonylContact O-C 3.54Å; A108-Q112 WeakPolarHBondContact O-CA 3.35Å; A108-Q112 PolarHBondContact O-N 2.86Å; A108-V113 HydrophobicContact CB-CB 4.41Å; A108-V113 PolarHBondContact O-N 2.84Å; A108-V116 HydrophobicContact CB-CB 4.03Å; A108-V116 HydrophobicContact CB-CG1 3.64Å; A108-L117 HydrophobicContact CB-CD2 3.86Å; A108-L117 HydrophobicContact CB-CG 4.05Å
109	C	95.8	Very high	95.5	Very high	48 Å²	48	50.5 Å²	50.5	32%	0.324	25%	0.25	S	S	.	.	H	α-helix	trans	-67.2	-50	174.5	-172.3	0	0	0	0	110.3	Y105 E106 T107 L111 Q112 L117 F143	Y105-C109 VanDerWaalsContact O-CB 3.29Å; Y105-C109 WeakPolarHBondContact O-CB 3.26Å; Y105-C109 PolarHBondContact O-N 3.22Å; E106-C109 WeakPolarHBondContact O-CB 3.27Å; E106-C109 PolarHBondContact O-N 3.1Å; T107-C109 VanDerWaalsContact C-N 3.28Å; T107-C109 PolarHBondContact O-N 2.83Å; C109-L111 VanDerWaalsContact C-N 3.33Å; C109-L111 PolarHBondContact O-N 3.02Å; C109-Q112 PolarHBondContact O-N 3.4Å; C109-Q112 VanDerWaalsContact O-N 3.1Å; C109-L117 HydrophobicContact CB-CD2 3.95Å; C109-F143 HydrophobicContact CB-CD1 4.23Å; C109-F143 HydrophobicContact CB-CE1 4.38Å
110	F	95.7	Very high	95.9	Very high	83 Å²	83	45.7 Å²	45.7	36%	0.364	22%	0.217	S	C	.	.	H	α-helix	trans	-57.5	-45.1	176	178.7	-101.9	0	0	0	112.2	Y55 V77 E106 T107 Q112	Y55-F110 HydrophobicContact CE2-CZ 4.42Å; V77-F110 HydrophobicContact CG2-CD1 3.54Å; V77-F110 HydrophobicContact CG2-CE1 3.7Å; V77-F110 HydrophobicContact CG2-CG 4.49Å; E106-F110 PolarHBondContact O-N 3.39Å; T107-F110 PolarHBondContact O-N 2.9Å; F110-Q112 VanDerWaalsContact C-N 3.3Å; F110-Q112 PolarHBondContact O-N 3.27Å
111	L	96	Very high	96.1	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-0.3	179.1	-61.5	179.6	0	0	0	113.7	S53 Y55 F56 L82 I85 T107 A108 C109 V113	S53-L111 WeakPolarHBondContact CB-O 3.23Å; S53-L111 PolarHBondContact OG-O 3.29Å; Y55-L111 VanDerWaalsContact CB-O 3.27Å; Y55-L111 WeakPolarHBondContact CB-O 3.43Å; Y55-L111 HydrophobicContact CD1-CD2 3.88Å; Y55-L111 HydrophobicContact CE1-CD2 4.22Å; Y55-L111 HydrophobicContact CG-CD2 4.44Å; F56-L111 HydrophobicContact CE1-CD2 4.3Å; F56-L111 HydrophobicContact CE2-CD1 4.24Å; F56-L111 HydrophobicContact CE2-CD2 4.17Å; F56-L111 HydrophobicContact CZ-CD1 4.33Å; F56-L111 HydrophobicContact CZ-CD2 3.77Å; L82-L111 HydrophobicContact CD1-CD1 3.78Å; I85-L111 HydrophobicContact CD1-CD1 4Å; I85-L111 HydrophobicContact CG2-CD1 4.49Å; T107-L111 HydrophobicContact CG2-CD1 3.92Å; T107-L111 HydrophobicContact CG2-CG 4.39Å; T107-L111 WeakPolarHBondContact O-CB 3.45Å; T107-L111 WeakPolarHBondContact O-CG 3.45Å; T107-L111 PolarHBondContact O-N 3.19Å; A108-L111 CarbonylContact O-C 3.54Å; C109-L111 VanDerWaalsContact C-N 3.33Å; C109-L111 PolarHBondContact O-N 3.02Å; L111-V113 HydrophobicContact CB-CG2 3.97Å; L111-V113 PolarHBondContact O-N 2.53Å
112	Q	96.6	Very high	96.1	Very high	105 Å²	105	50.1 Å²	50.1	49%	0.491	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.5	53.8	-179.6	-56.3	176.4	21.3	0	0	113.1	S54 A108 C109 F110	S54-Q112 PolarHBondContact N-O 2.77Å; A108-Q112 WeakPolarHBondContact O-CA 3.35Å; A108-Q112 PolarHBondContact O-N 2.86Å; C109-Q112 PolarHBondContact O-N 3.4Å; C109-Q112 VanDerWaalsContact O-N 3.1Å; F110-Q112 VanDerWaalsContact C-N 3.3Å; F110-Q112 PolarHBondContact O-N 3.27Å
113	V	97	Very high	96	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.006	24%	0.235	C	C	.	.			trans	-101.8	88	176.4	-173	0	0	0	0	109.1	I85 Y88 A108 L111 D115 V116 L117	I85-V113 HydrophobicContact CG2-CG2 4.07Å; Y88-V113 HydrophobicContact CE1-CG1 4.47Å; A108-V113 HydrophobicContact CB-CB 4.41Å; A108-V113 PolarHBondContact O-N 2.84Å; L111-V113 HydrophobicContact CB-CG2 3.97Å; L111-V113 PolarHBondContact O-N 2.53Å; V113-D115 PolarHBondContact O-N 3.33Å; V113-V116 HydrophobicContact CB-CB 4.21Å; V113-V116 HydrophobicContact CB-CG2 4.35Å; V113-V116 HydrophobicContact CG1-CB 3.75Å; V113-V116 HydrophobicContact CG1-CG2 3.43Å; V113-V116 VanDerWaalsContact CG1-CG2 3.43Å; V113-V116 PolarHBondContact O-N 2.66Å; V113-L117 WeakPolarHBondContact O-CG 3.49Å; V113-L117 PolarHBondContact O-N 2.88Å
114	E	96	Very high	96	Very high	115 Å²	115	46.7 Å²	46.7	54%	0.537	22%	0.216	S	C	.	.	H	α-helix	trans	-61	-42.6	-169.8	-169.4	60.2	-151.7	0	0	113.3	V116 L117 Q118	E114-V116 VanDerWaalsContact C-N 3.29Å; E114-V116 PolarHBondContact O-N 3.03Å; E114-L117 WeakPolarHBondContact O-CB 3.42Å; E114-L117 PolarHBondContact O-N 2.92Å; E114-Q118 PolarHBondContact O-N 3.22Å
115	D	95.9	Very high	95.9	Very high	106 Å²	106	48.8 Å²	48.8	57%	0.567	23%	0.226	S	C	*	.	H	α-helix	trans	-63.1	-37.5	-179.9	-68.3	-35.7	0	0	0	111.9	Y88 V113 R119	Y88-D115 VanDerWaalsContact OH-CB 3.27Å; Y88-D115 WeakPolarHBondContact OH-CB 3.4Å; V113-D115 PolarHBondContact O-N 3.33Å; D115-R119 VanDerWaalsContact O-CG 3.23Å; D115-R119 WeakPolarHBondContact O-CG 3.39Å; D115-R119 PolarHBondContact O-N 3.15Å; D115-R119 VanDerWaalsContact O-N 3.1Å
116	V	96.9	Very high	95.6	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-70.5	-41.6	176	175.9	0	0	0	0	110.5	Y88 L94 L104 A108 V113 E114 Q118 R119 C120	Y88-V116 HydrophobicContact CD1-CG2 3.45Å; Y88-V116 VanDerWaalsContact CD1-CG2 3.45Å; Y88-V116 HydrophobicContact CE1-CG2 3.55Å; Y88-V116 HydrophobicContact CG-CG2 4.03Å; L94-V116 HydrophobicContact CD1-CG1 4.08Å; L94-V116 HydrophobicContact CD1-CG2 4.11Å; L94-V116 HydrophobicContact CD2-CG1 4.05Å; L94-V116 HydrophobicContact CD2-CG2 4.45Å; L104-V116 HydrophobicContact CD1-CG1 4.26Å; L104-V116 HydrophobicContact CG-CG1 4.23Å; A108-V116 HydrophobicContact CB-CB 4.03Å; A108-V116 HydrophobicContact CB-CG1 3.64Å; V113-V116 HydrophobicContact CB-CB 4.21Å; V113-V116 HydrophobicContact CB-CG2 4.35Å; V113-V116 HydrophobicContact CG1-CB 3.75Å; V113-V116 HydrophobicContact CG1-CG2 3.43Å; V113-V116 VanDerWaalsContact CG1-CG2 3.43Å; V113-V116 PolarHBondContact O-N 2.66Å; E114-V116 VanDerWaalsContact C-N 3.29Å; E114-V116 PolarHBondContact O-N 3.03Å; V116-Q118 VanDerWaalsContact C-N 3.34Å; V116-Q118 PolarHBondContact O-N 2.75Å; V116-R119 PolarHBondContact O-N 2.92Å; V116-C120 WeakPolarHBondContact O-CB 3.32Å; V116-C120 PolarHBondContact O-N 2.88Å; V116-C120 PolarHBondContact O-SG 3.45Å
117	L	96.6	Very high	95.3	Very high	13 Å²	13	54.1 Å²	54.1	7%	0.068	25%	0.248	C	C	.	.	H	α-helix	trans	-57.5	-46.5	174.5	-72.6	174.6	0	0	0	111.8	Y105 A108 C109 V113 E114 C120 R121	Y105-L117 HydrophobicContact CD1-CD2 4.01Å; Y105-L117 HydrophobicContact CD2-CD2 3.98Å; Y105-L117 HydrophobicContact CE1-CD2 3.84Å; Y105-L117 HydrophobicContact CE2-CB 4.47Å; Y105-L117 HydrophobicContact CE2-CD2 3.81Å; Y105-L117 HydrophobicContact CG-CD2 4.06Å; Y105-L117 WeakPolarHBondContact O-CD2 3.29Å; A108-L117 HydrophobicContact CB-CD2 3.86Å; A108-L117 HydrophobicContact CB-CG 4.05Å; C109-L117 HydrophobicContact CB-CD2 3.95Å; V113-L117 WeakPolarHBondContact O-CG 3.49Å; V113-L117 PolarHBondContact O-N 2.88Å; E114-L117 WeakPolarHBondContact O-CB 3.42Å; E114-L117 PolarHBondContact O-N 2.92Å; L117-C120 PolarHBondContact O-N 3.31Å; L117-R121 WeakPolarHBondContact O-CB 3.41Å; L117-R121 PolarHBondContact O-N 3.34Å
118	Q	96.5	Very high	95.1	Very high	59 Å²	59	54.4 Å²	54.4	28%	0.276	25%	0.249	S	C	.	.	H	α-helix	trans	-61.6	-45.7	178.3	-177.9	59.2	30.9	0	0	111.4	E114 V116 R121 E122	E114-Q118 PolarHBondContact O-N 3.22Å; V116-Q118 VanDerWaalsContact C-N 3.34Å; V116-Q118 PolarHBondContact O-N 2.75Å; Q118-R121 PolarHBondContact O-N 3.31Å; Q118-E122 PolarHBondContact NE2-OE1 3.33Å; Q118-E122 WeakPolarHBondContact O-CG 3.35Å; Q118-E122 PolarHBondContact O-N 2.99Å
119	R	96	Very high	94.7	Very high	151 Å²	151	55.9 Å²	55.9	57%	0.57	26%	0.257	S	S	*	.	H	α-helix	trans	-64.6	-43	177.5	-68.2	-67.5	-174.6	119.4	3.5	112.6	L94 M96 D115 V116 E122 Y123	L94-R119 HydrophobicContact CD2-CB 3.61Å; L94-R119 HydrophobicContact CD2-CG 4.26Å; M96-R119 HydrophobicContact SD-CB 4.43Å; D115-R119 VanDerWaalsContact O-CG 3.23Å; D115-R119 WeakPolarHBondContact O-CG 3.39Å; D115-R119 PolarHBondContact O-N 3.15Å; D115-R119 VanDerWaalsContact O-N 3.1Å; V116-R119 PolarHBondContact O-N 2.92Å; R119-E122 PolarHBondContact O-N 2.92Å; R119-Y123 WeakPolarHBondContact O-CB 3.28Å; R119-Y123 PolarHBondContact O-N 2.86Å
120	C	96.7	Very high	94.5	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-61.4	-43.3	174.6	-70.8	0	0	0	0	111.6	M96 V101 Y105 V116 L117 Y123 L124	M96-C120 HydrophobicContact CE-CB 4.38Å; V101-C120 HydrophobicContact CG2-CB 4.21Å; Y105-C120 HydrophobicContact CD2-CB 3.57Å; Y105-C120 HydrophobicContact CE2-CB 4.5Å; Y105-C120 HydrophobicContact CG-CB 4.33Å; V116-C120 WeakPolarHBondContact O-CB 3.32Å; V116-C120 PolarHBondContact O-N 2.88Å; V116-C120 PolarHBondContact O-SG 3.45Å; L117-C120 PolarHBondContact O-N 3.31Å; C120-Y123 PolarHBondContact O-N 3.15Å; C120-L124 WeakPolarHBondContact O-CB 3.47Å; C120-L124 VanDerWaalsContact O-CG 3.24Å; C120-L124 WeakPolarHBondContact O-CG 3.24Å; C120-L124 PolarHBondContact O-N 3.26Å
121	R	96.4	Very high	94.3	Very high	44 Å²	44	56.1 Å²	56.1	17%	0.166	26%	0.257	C	S	.	.	H	α-helix	trans	-59.4	-51.9	175.7	-173.6	-168.6	-58.8	153.2	12.6	111.9	Y105 L117 Q118 Y123 L124 I125 C145 E147 L148	Y105-R121 HydrophobicContact CE2-CB 4.35Å; L117-R121 WeakPolarHBondContact O-CB 3.41Å; L117-R121 PolarHBondContact O-N 3.34Å; Q118-R121 PolarHBondContact O-N 3.31Å; R121-Y123 PolarHBondContact O-N 3.2Å; R121-L124 PolarHBondContact O-N 3.04Å; R121-I125 HydrophobicContact CG-CD1 3.87Å; R121-I125 HydrophobicContact CG-CG1 4.46Å; R121-I125 WeakPolarHBondContact O-CG1 3.27Å; R121-I125 PolarHBondContact O-N 3.24Å; R121-C145 PolarHBondContact NE-SG 3.23Å; R121-E147 WeakPolarHBondContact CD-OE2 3.36Å; R121-E147 IonicContact NH1-OE2 3.77Å; R121-E147 PolarHBondContact NH1-OE2 3.46Å; R121-L148 HydrophobicContact CG-CB 4.46Å
122	E	94.4	Very high	94.1	Very high	77 Å²	77	57.3 Å²	57.3	36%	0.36	26%	0.263	S	S	.	.	H	α-helix	trans	-59	-37.6	179.4	-74.2	173	-164	0	0	112.3	Q118 R119 K126	Q118-E122 PolarHBondContact NE2-OE1 3.33Å; Q118-E122 WeakPolarHBondContact O-CG 3.35Å; Q118-E122 PolarHBondContact O-N 2.99Å; R119-E122 PolarHBondContact O-N 2.92Å; E122-K126 VanDerWaalsContact O-CG 3.27Å; E122-K126 WeakPolarHBondContact O-CG 3.34Å; E122-K126 PolarHBondContact O-N 3.23Å
123	Y	94	Very high	94.1	Very high	52 Å²	52	52.3 Å²	52.3	20%	0.204	24%	0.24	C	C	.	.	H	α-helix	trans	-67.7	-48.7	175.9	-174.3	-85.5	0	0	0	112	M96 D98 V101 R119 C120 R121 I125 K126 K127	M96-Y123 HydrophobicContact CB-CD2 4.3Å; M96-Y123 HydrophobicContact CB-CE2 4.21Å; M96-Y123 HydrophobicContact CE-CD1 3.89Å; M96-Y123 HydrophobicContact CE-CD2 3.68Å; M96-Y123 HydrophobicContact CE-CG 3.31Å; M96-Y123 HydrophobicContact SD-CD2 4.1Å; M96-Y123 HydrophobicContact SD-CG 4.29Å; D98-Y123 VanDerWaalsContact OD1-CE1 3.28Å; D98-Y123 WeakPolarHBondContact OD1-CE1 3.4Å; D98-Y123 VanDerWaalsContact OD1-CZ 3.27Å; D98-Y123 PolarHBondContact OD1-OH 3.14Å; V101-Y123 HydrophobicContact CB-CD1 4.32Å; V101-Y123 HydrophobicContact CB-CE1 4.42Å; V101-Y123 HydrophobicContact CG1-CD1 4.31Å; V101-Y123 HydrophobicContact CG1-CE1 4.23Å; V101-Y123 HydrophobicContact CG2-CD1 3.88Å; V101-Y123 HydrophobicContact CG2-CE1 4.46Å; R119-Y123 WeakPolarHBondContact O-CB 3.28Å; R119-Y123 PolarHBondContact O-N 2.86Å; C120-Y123 PolarHBondContact O-N 3.15Å; R121-Y123 PolarHBondContact O-N 3.2Å; Y123-I125 VanDerWaalsContact C-N 3.35Å; Y123-I125 PolarHBondContact O-N 3.45Å; Y123-K126 PolarHBondContact O-N 2.9Å; Y123-K127 HydrophobicContact CD1-CG 4.22Å; Y123-K127 HydrophobicContact CE1-CG 3.9Å; Y123-K127 WeakPolarHBondContact O-CG 3.43Å; Y123-K127 PolarHBondContact O-N 3.13Å; Y123-K127 VanDerWaalsContact O-N 3.15Å
124	L	95.4	Very high	94.1	Very high	5 Å²	5	52.2 Å²	52.2	3%	0.026	24%	0.24	C	C	.	.	H	α-helix	trans	-59.3	-45.7	178.9	-72.8	171.2	0	0	0	111	V101 E102 Y105 C120 R121 K126 K127 I128 L136 F139 L148	V101-L124 HydrophobicContact CG1-CD2 3.68Å; V101-L124 HydrophobicContact CG2-CD2 4.04Å; V101-L124 HydrophobicContact CG2-CG 4.01Å; E102-L124 HydrophobicContact CG-CD2 4.17Å; Y105-L124 HydrophobicContact CD2-CD1 4.35Å; C120-L124 WeakPolarHBondContact O-CB 3.47Å; C120-L124 VanDerWaalsContact O-CG 3.24Å; C120-L124 WeakPolarHBondContact O-CG 3.24Å; C120-L124 PolarHBondContact O-N 3.26Å; R121-L124 PolarHBondContact O-N 3.04Å; L124-K126 VanDerWaalsContact C-N 3.31Å; L124-K126 PolarHBondContact O-N 2.65Å; L124-K127 PolarHBondContact O-N 3.25Å; L124-I128 WeakPolarHBondContact O-CG1 3.5Å; L124-I128 PolarHBondContact O-N 3.49Å; L124-L136 HydrophobicContact CD2-CD2 3.9Å; L124-F139 HydrophobicContact CD1-CE1 3.99Å; L124-L148 HydrophobicContact CB-CD1 3.78Å; L124-L148 HydrophobicContact CB-CD2 4.23Å; L124-L148 HydrophobicContact CD1-CD2 3.87Å
125	I	94	Very high	94.1	Very high	44 Å²	44	52.1 Å²	52.1	23%	0.226	23%	0.234	C	C	.	.	H	α-helix	trans	-57.3	-43.8	176.9	-70.3	171.3	0	0	0	111.3	R121 Y123 K127 I128 E147 L148	R121-I125 HydrophobicContact CG-CD1 3.87Å; R121-I125 HydrophobicContact CG-CG1 4.46Å; R121-I125 WeakPolarHBondContact O-CG1 3.27Å; R121-I125 PolarHBondContact O-N 3.24Å; Y123-I125 VanDerWaalsContact C-N 3.35Å; Y123-I125 PolarHBondContact O-N 3.45Å; I125-K127 PolarHBondContact O-N 3.38Å; I125-I128 PolarHBondContact O-N 2.74Å; I125-E147 HydrophobicContact CD1-CG 3.74Å; I125-L148 HydrophobicContact CG1-CB 4.42Å; I125-L148 HydrophobicContact CG1-CD1 3.71Å
126	K	89.4	Confident	94.1	Very high	152 Å²	152	47.2 Å²	47.2	66%	0.661	21%	0.208	S	C	*	.	H	α-helix	trans	-64.9	-27.3	178.5	-74.7	171.3	-174.5	170.8	0	113.2	E122 Y123 L124	E122-K126 VanDerWaalsContact O-CG 3.27Å; E122-K126 WeakPolarHBondContact O-CG 3.34Å; E122-K126 PolarHBondContact O-N 3.23Å; Y123-K126 PolarHBondContact O-N 2.9Å; L124-K126 VanDerWaalsContact C-N 3.31Å; L124-K126 PolarHBondContact O-N 2.65Å
127	K	89.6	Confident	94.2	Very high	74 Å²	74	47.2 Å²	47.2	32%	0.322	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	2.3	-175.8	-70.4	-65.7	-167.7	173	0	114.1	Y123 L124 I125 N129 N132	Y123-K127 HydrophobicContact CD1-CG 4.22Å; Y123-K127 HydrophobicContact CE1-CG 3.9Å; Y123-K127 WeakPolarHBondContact O-CG 3.43Å; Y123-K127 PolarHBondContact O-N 3.13Å; Y123-K127 VanDerWaalsContact O-N 3.15Å; L124-K127 PolarHBondContact O-N 3.25Å; I125-K127 PolarHBondContact O-N 3.38Å; K127-N129 PolarHBondContact O-N 3.47Å; K127-N132 PolarHBondContact O-ND2 3.27Å
128	I	91.8	Very high	94.2	Very high	14 Å²	14	48.5 Å²	48.5	7%	0.072	22%	0.218	C	C	.	.			trans	-61.1	128	176.8	-63.5	174.8	0	0	0	110.6	L124 I125 N132 C133 L136 L148 A152 M155	L124-I128 WeakPolarHBondContact O-CG1 3.5Å; L124-I128 PolarHBondContact O-N 3.49Å; I125-I128 PolarHBondContact O-N 2.74Å; I128-N132 WeakPolarHBondContact CA-OD1 3.29Å; I128-C133 HydrophobicContact CG2-CB 4.04Å; I128-L136 HydrophobicContact CG1-CD1 3.76Å; I128-L148 HydrophobicContact CD1-CD1 4.06Å; I128-A152 HydrophobicContact CD1-CB 4.26Å; I128-M155 HydrophobicContact CG2-CB 3.46Å; I128-M155 VanDerWaalsContact CG2-CB 3.46Å; I128-M155 HydrophobicContact CG2-CG 3.51Å; I128-M155 HydrophobicContact CG2-SD 4.22Å
129	N	89	Confident	94.2	Very high	30 Å²	30	46.7 Å²	46.7	16%	0.16	21%	0.209	C	C	.	.			trans	-142.3	-178.7	175.7	70.1	14.9	0	0	0	110.7	K127 E131 N132 C133 E405	K127-N129 PolarHBondContact O-N 3.47Å; N129-E131 VanDerWaalsContact C-N 3.3Å; N129-E131 PolarHBondContact O-N 3.32Å; N129-E131 PolarHBondContact OD1-N 2.89Å; N129-E131 VanDerWaalsContact OD1-N 3.08Å; N129-N132 PolarHBondContact N-OD1 2.9Å; N129-N132 PolarHBondContact O-OD1 3.4Å; N129-N132 PolarHBondContact OD1-N 3.23Å; N129-N132 PolarHBondContact OD1-ND2 3.26Å; N129-N132 PolarHBondContact OD1-OD1 3.43Å; N129-C133 WeakPolarHBondContact O-CB 3.28Å; N129-C133 PolarHBondContact O-N 2.97Å; N129-C133 VanDerWaalsContact O-N 3.07Å; N129-C133 PolarHBondContact O-SG 2.82Å; N129-E405 PolarHBondContact ND2-O 2.97Å; N129-E405 VanDerWaalsContact ND2-O 3.13Å
130	A	90.4	Very high	94.3	Very high	14 Å²	14	39.5 Å²	39.5	12%	0.116	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-27.6	-177.5	0	0	0	0	0	113.6	K159 Q166	A130-K159 HydrophobicContact CB-CB 4.14Å; A130-K159 HydrophobicContact CB-CG 4.15Å; A130-Q166 PolarHBondContact O-NE2 2.67Å; A130-Q166 PolarHBondContact O-OE1 3.26Å
131	E	91.4	Very high	94.3	Very high	122 Å²	122	42.2 Å²	42.2	57%	0.57	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-35	-179.6	-64.3	-175.7	162.1	0	0	112.9	N129	N129-E131 VanDerWaalsContact C-N 3.3Å; N129-E131 PolarHBondContact O-N 3.32Å; N129-E131 PolarHBondContact OD1-N 2.89Å; N129-E131 VanDerWaalsContact OD1-N 3.08Å
132	N	93	Very high	94.3	Very high	25 Å²	25	46.4 Å²	46.4	13%	0.134	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102	-14.4	-173	70.9	21.9	0	0	0	114.2	K127 I128 N129 V134 R135 L136	K127-N132 PolarHBondContact O-ND2 3.27Å; I128-N132 WeakPolarHBondContact CA-OD1 3.29Å; N129-N132 PolarHBondContact N-OD1 2.9Å; N129-N132 PolarHBondContact O-OD1 3.4Å; N129-N132 PolarHBondContact OD1-N 3.23Å; N129-N132 PolarHBondContact OD1-ND2 3.26Å; N129-N132 PolarHBondContact OD1-OD1 3.43Å; N132-V134 VanDerWaalsContact C-N 3.32Å; N132-V134 PolarHBondContact O-N 3.47Å; N132-R135 WeakPolarHBondContact O-CB 3.46Å; N132-R135 PolarHBondContact O-N 2.75Å; N132-R135 VanDerWaalsContact O-N 3.13Å; N132-L136 HydrophobicContact CB-CD1 4.25Å; N132-L136 HydrophobicContact CB-CG 4.39Å; N132-L136 WeakPolarHBondContact O-CG 3.48Å; N132-L136 PolarHBondContact O-N 2.87Å; N132-L136 WeakPolarHBondContact OD1-CD1 3.33Å
133	C	95.5	Very high	94.4	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-60.2	-37.2	-168.9	57.2	0	0	0	0	113.9	I128 N129 L137 M155 V156	I128-C133 HydrophobicContact CG2-CB 4.04Å; N129-C133 WeakPolarHBondContact O-CB 3.28Å; N129-C133 PolarHBondContact O-N 2.97Å; N129-C133 VanDerWaalsContact O-N 3.07Å; N129-C133 PolarHBondContact O-SG 2.82Å; C133-L137 VanDerWaalsContact O-CB 3.28Å; C133-L137 WeakPolarHBondContact O-CB 3.49Å; C133-L137 PolarHBondContact O-N 3.45Å; C133-M155 HydrophobicContact CB-CB 3.75Å; C133-M155 HydrophobicContact CB-CG 3.55Å; C133-V156 HydrophobicContact CB-CG2 3.93Å; C133-V156 VanDerWaalsContact SG-CG2 3.6Å
134	V	97.6	Very high	94.4	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-68.6	-44	178.5	-175.9	0	0	0	0	111.3	N132 L136 L137 S138 V156 V163 A168 L172	N132-V134 VanDerWaalsContact C-N 3.32Å; N132-V134 PolarHBondContact O-N 3.47Å; V134-L136 VanDerWaalsContact C-N 3.33Å; V134-L137 WeakPolarHBondContact O-CB 3.42Å; V134-L137 PolarHBondContact O-N 3.49Å; V134-S138 PolarHBondContact O-N 2.7Å; V134-S138 PolarHBondContact O-OG 3.28Å; V134-V156 HydrophobicContact CG2-CG2 3.98Å; V134-V163 HydrophobicContact CG2-CB 4.46Å; V134-V163 HydrophobicContact CG2-CG1 3.04Å; V134-A168 HydrophobicContact CB-CB 3.98Å; V134-A168 HydrophobicContact CG1-CB 4.06Å; V134-A168 WeakPolarHBondContact CG1-O 3.3Å; V134-L172 HydrophobicContact CG1-CD1 4.03Å; V134-L172 HydrophobicContact CG1-CD2 3.66Å; V134-L172 HydrophobicContact CG1-CG 3.72Å
135	R	95.8	Very high	94.4	Very high	113 Å²	113	47.3 Å²	47.3	43%	0.426	24%	0.24	S	C	.	.	H	α-helix	trans	-63.2	-43.4	178.4	-170.5	175.4	65.5	78.2	13.2	110.6	E102 N132 L137 S138 F139	E102-R135 IonicContact OE1-CZ 3.44Å; E102-R135 IonicContact OE1-NH1 3.6Å; E102-R135 PolarHBondContact OE1-NH1 2.82Å; E102-R135 IonicContact OE1-NH2 2.98Å; E102-R135 PolarHBondContact OE1-NH2 3.43Å; E102-R135 IonicContact OE2-CZ 2.63Å; E102-R135 IonicContact OE2-NH1 3.17Å; E102-R135 PolarHBondContact OE2-NH1 2.92Å; N132-R135 WeakPolarHBondContact O-CB 3.46Å; N132-R135 PolarHBondContact O-N 2.75Å; N132-R135 VanDerWaalsContact O-N 3.13Å; R135-L137 VanDerWaalsContact C-N 3.34Å; R135-S138 PolarHBondContact O-N 2.81Å; R135-F139 VanDerWaalsContact O-CB 3.3Å; R135-F139 WeakPolarHBondContact O-CB 3.15Å; R135-F139 PolarHBondContact O-N 2.81Å
136	L	96.8	Very high	94.5	Very high	2 Å²	2	50 Å²	50	1%	0.01	25%	0.251	C	S	.	.	H	α-helix	trans	-67.4	-31.9	174.8	-67.9	-179.6	0	0	0	112.9	L124 I128 N132 V134 A140 A152	L124-L136 HydrophobicContact CD2-CD2 3.9Å; I128-L136 HydrophobicContact CG1-CD1 3.76Å; N132-L136 HydrophobicContact CB-CD1 4.25Å; N132-L136 HydrophobicContact CB-CG 4.39Å; N132-L136 WeakPolarHBondContact O-CG 3.48Å; N132-L136 PolarHBondContact O-N 2.87Å; N132-L136 WeakPolarHBondContact OD1-CD1 3.33Å; V134-L136 VanDerWaalsContact C-N 3.33Å; L136-A140 WeakPolarHBondContact O-CB 3.48Å; L136-A140 PolarHBondContact O-N 2.88Å; L136-A152 HydrophobicContact CB-CB 4.29Å
137	L	98	Very high	94.8	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-64.3	-50.1	173.1	177.5	63.9	0	0	0	111	C133 V134 R135 F139 A140 D141 K149 A152 K153 V156 L176 I180	C133-L137 VanDerWaalsContact O-CB 3.28Å; C133-L137 WeakPolarHBondContact O-CB 3.49Å; C133-L137 PolarHBondContact O-N 3.45Å; V134-L137 WeakPolarHBondContact O-CB 3.42Å; V134-L137 PolarHBondContact O-N 3.49Å; R135-L137 VanDerWaalsContact C-N 3.34Å; L137-F139 VanDerWaalsContact C-N 3.32Å; L137-F139 PolarHBondContact O-N 3.12Å; L137-A140 PolarHBondContact O-N 3.32Å; L137-D141 WeakPolarHBondContact O-CB 3.48Å; L137-D141 PolarHBondContact O-N 3.06Å; L137-K149 HydrophobicContact CD1-CG 3.67Å; L137-K149 WeakPolarHBondContact CD1-O 3.39Å; L137-A152 HydrophobicContact CB-CB 3.91Å; L137-A152 HydrophobicContact CD1-CB 4.41Å; L137-K153 HydrophobicContact CD1-CB 3.96Å; L137-V156 HydrophobicContact CD2-CG2 4.33Å; L137-L176 HydrophobicContact CG-CD2 4.41Å; L137-I180 HydrophobicContact CD2-CD1 3.74Å; L137-I180 HydrophobicContact CD2-CG1 4.17Å
138	S	97.3	Very high	95.1	Very high	40 Å²	40	43.6 Å²	43.6	28%	0.28	23%	0.225	S	C	.	.	H	α-helix	trans	-61.3	-41.1	175.6	-61.4	0	0	0	0	112	V134 R135 D141 L142	V134-S138 PolarHBondContact O-N 2.7Å; V134-S138 PolarHBondContact O-OG 3.28Å; R135-S138 PolarHBondContact O-N 2.81Å; S138-D141 PolarHBondContact O-N 3.36Å; S138-L142 WeakPolarHBondContact O-CB 3.31Å; S138-L142 PolarHBondContact O-N 3.44Å
139	F	96.8	Very high	95.4	Very high	22 Å²	22	44.9 Å²	44.9	10%	0.096	23%	0.23	C	C	.	.	H	α-helix	trans	-61.1	-48.5	175	179.8	-88.7	0	0	0	111.5	E102 Y105 L124 R135 L137 D141 L142 F143 L148	E102-F139 HydrophobicContact CB-CD2 4.31Å; E102-F139 HydrophobicContact CB-CE2 3.72Å; E102-F139 HydrophobicContact CB-CZ 4.16Å; E102-F139 HydrophobicContact CG-CD2 4.19Å; E102-F139 HydrophobicContact CG-CE2 3.94Å; E102-F139 HydrophobicContact CG-CZ 4.23Å; Y105-F139 AromaticContact CD1-CE1 3.8Å; Y105-F139 HydrophobicContact CD1-CE1 3.8Å; Y105-F139 AromaticContact CD1-CZ 3.66Å; Y105-F139 HydrophobicContact CD1-CZ 3.66Å; Y105-F139 HydrophobicContact CE1-CE1 4.3Å; Y105-F139 HydrophobicContact CG-CE1 4.02Å; Y105-F139 AromaticContact CG-CZ 3.91Å; Y105-F139 HydrophobicContact CG-CZ 3.91Å; L124-F139 HydrophobicContact CD1-CE1 3.99Å; R135-F139 VanDerWaalsContact O-CB 3.3Å; R135-F139 WeakPolarHBondContact O-CB 3.15Å; R135-F139 PolarHBondContact O-N 2.81Å; L137-F139 VanDerWaalsContact C-N 3.32Å; L137-F139 PolarHBondContact O-N 3.12Å; F139-D141 VanDerWaalsContact C-N 3.29Å; F139-D141 PolarHBondContact O-N 2.69Å; F139-L142 WeakPolarHBondContact O-CB 3.24Å; F139-L142 PolarHBondContact O-N 3.33Å; F139-F143 HydrophobicContact CD1-CD2 4.08Å; F139-F143 HydrophobicContact CD2-CD2 4.03Å; F139-F143 AromaticContact CD2-CE2 3.73Å; F139-F143 HydrophobicContact CD2-CE2 3.73Å; F139-F143 AromaticContact CE1-CD2 3.74Å; F139-F143 HydrophobicContact CE1-CD2 3.74Å; F139-F143 HydrophobicContact CE1-CE2 4.15Å; F139-F143 AromaticContact CE2-CD2 3.71Å; F139-F143 HydrophobicContact CE2-CD2 3.71Å; F139-F143 AromaticContact CE2-CE2 3.24Å; F139-F143 HydrophobicContact CE2-CE2 3.24Å; F139-F143 HydrophobicContact CE2-CZ 4.25Å; F139-F143 HydrophobicContact CG-CD2 4.19Å; F139-F143 HydrophobicContact CG-CE2 4.35Å; F139-F143 AromaticContact CZ-CD2 3.53Å; F139-F143 HydrophobicContact CZ-CD2 3.53Å; F139-F143 AromaticContact CZ-CE2 3.46Å; F139-F143 HydrophobicContact CZ-CE2 3.46Å; F139-F143 VanDerWaalsContact CZ-CE2 3.46Å; F139-F143 HydrophobicContact CZ-CZ 4.43Å; F139-F143 VanDerWaalsContact O-CD2 3.29Å; F139-F143 WeakPolarHBondContact O-CD2 3.49Å; F139-F143 PolarHBondContact O-N 3.25Å; F139-F143 VanDerWaalsContact O-N 3.14Å; F139-L148 HydrophobicContact CD1-CD2 4Å; F139-L148 HydrophobicContact CE1-CD2 4.36Å
140	A	97.4	Very high	95.8	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-63.8	-35.8	179.9	0	0	0	0	0	112.4	L136 L137 S144 C145 L148 K149	L136-A140 WeakPolarHBondContact O-CB 3.48Å; L136-A140 PolarHBondContact O-N 2.88Å; L137-A140 PolarHBondContact O-N 3.32Å; A140-S144 CarbonylContact O-C 3.59Å; A140-S144 WeakPolarHBondContact O-CA 3.45Å; A140-S144 PolarHBondContact O-N 3.29Å; A140-C145 PolarHBondContact O-N 2.85Å; A140-L148 HydrophobicContact CB-CB 3.93Å; A140-L148 HydrophobicContact CB-CD2 3.89Å; A140-L148 HydrophobicContact CB-CG 3.77Å; A140-K149 HydrophobicContact CB-CB 3.71Å; A140-K149 HydrophobicContact CB-CG 4.44Å
141	D	97.2	Very high	95.9	Very high	57 Å²	57	48 Å²	48	31%	0.305	24%	0.244	S	C	.	.	H	α-helix	trans	-65	-46.5	173.9	-167.2	64.1	0	0	0	111.7	L137 S138 F139 F143 S144 K149 L176	L137-D141 WeakPolarHBondContact O-CB 3.48Å; L137-D141 PolarHBondContact O-N 3.06Å; S138-D141 PolarHBondContact O-N 3.36Å; F139-D141 VanDerWaalsContact C-N 3.29Å; F139-D141 PolarHBondContact O-N 2.69Å; D141-F143 VanDerWaalsContact C-N 3.27Å; D141-F143 PolarHBondContact O-N 2.91Å; D141-S144 PolarHBondContact O-N 3.48Å; D141-K149 WeakPolarHBondContact OD1-CE 3.1Å; D141-K149 IonicContact OD1-NZ 3.32Å; D141-K149 PolarHBondContact OD1-NZ 2.83Å; D141-L176 HydrophobicContact CB-CD1 3.98Å; D141-L176 HydrophobicContact CB-CD2 4.01Å; D141-L176 HydrophobicContact CB-CG 4.45Å
142	L	96	Very high	96.2	Very high	131 Å²	131	42.2 Å²	42.2	69%	0.686	22%	0.217	S	C	*	.	H	α-helix	trans	-55.8	-40.7	177.4	180	64.7	0	0	0	112.5	S138 F139	S138-L142 WeakPolarHBondContact O-CB 3.31Å; S138-L142 PolarHBondContact O-N 3.44Å; F139-L142 WeakPolarHBondContact O-CB 3.24Å; F139-L142 PolarHBondContact O-N 3.33Å
143	F	95.3	Very high	96.4	Very high	41 Å²	41	42.9 Å²	42.9	18%	0.18	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	7.7	179	-66.4	-74.3	0	0	0	114.2	Y105 E106 C109 F139 D141 C145	Y105-F143 HydrophobicContact CD1-CD1 4.41Å; Y105-F143 HydrophobicContact CD1-CD2 4.23Å; Y105-F143 HydrophobicContact CD1-CG 4.12Å; Y105-F143 HydrophobicContact CE1-CB 3.75Å; Y105-F143 HydrophobicContact CE1-CD1 4.23Å; Y105-F143 HydrophobicContact CE1-CD2 4.28Å; Y105-F143 AromaticContact CE1-CG 3.82Å; Y105-F143 HydrophobicContact CE1-CG 3.82Å; E106-F143 HydrophobicContact CB-CE1 4.13Å; E106-F143 HydrophobicContact CB-CZ 3.65Å; E106-F143 HydrophobicContact CG-CE1 4.07Å; E106-F143 HydrophobicContact CG-CZ 3.73Å; C109-F143 HydrophobicContact CB-CD1 4.23Å; C109-F143 HydrophobicContact CB-CE1 4.38Å; F139-F143 HydrophobicContact CD1-CD2 4.08Å; F139-F143 HydrophobicContact CD2-CD2 4.03Å; F139-F143 AromaticContact CD2-CE2 3.73Å; F139-F143 HydrophobicContact CD2-CE2 3.73Å; F139-F143 AromaticContact CE1-CD2 3.74Å; F139-F143 HydrophobicContact CE1-CD2 3.74Å; F139-F143 HydrophobicContact CE1-CE2 4.15Å; F139-F143 AromaticContact CE2-CD2 3.71Å; F139-F143 HydrophobicContact CE2-CD2 3.71Å; F139-F143 AromaticContact CE2-CE2 3.24Å; F139-F143 HydrophobicContact CE2-CE2 3.24Å; F139-F143 HydrophobicContact CE2-CZ 4.25Å; F139-F143 HydrophobicContact CG-CD2 4.19Å; F139-F143 HydrophobicContact CG-CE2 4.35Å; F139-F143 AromaticContact CZ-CD2 3.53Å; F139-F143 HydrophobicContact CZ-CD2 3.53Å; F139-F143 AromaticContact CZ-CE2 3.46Å; F139-F143 HydrophobicContact CZ-CE2 3.46Å; F139-F143 VanDerWaalsContact CZ-CE2 3.46Å; F139-F143 HydrophobicContact CZ-CZ 4.43Å; F139-F143 VanDerWaalsContact O-CD2 3.29Å; F139-F143 WeakPolarHBondContact O-CD2 3.49Å; F139-F143 PolarHBondContact O-N 3.25Å; F139-F143 VanDerWaalsContact O-N 3.14Å; D141-F143 VanDerWaalsContact C-N 3.27Å; D141-F143 PolarHBondContact O-N 2.91Å; F143-C145 PolarHBondContact O-N 3.28Å; F143-C145 VanDerWaalsContact O-N 3.13Å
144	S	94.4	Very high	96.3	Very high	107 Å²	107	46.8 Å²	46.8	75%	0.748	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.5	34.2	-177.7	-59.1	0	0	0	0	113.8	A140 D141 E146	A140-S144 CarbonylContact O-C 3.59Å; A140-S144 WeakPolarHBondContact O-CA 3.45Å; A140-S144 PolarHBondContact O-N 3.29Å; D141-S144 PolarHBondContact O-N 3.48Å; S144-E146 PolarHBondContact O-N 3.49Å
145	C	95.5	Very high	96.1	Very high	6 Å²	6	48 Å²	48	4%	0.041	24%	0.239	C	C	.	.			trans	-89.4	84	-179.1	-178	0	0	0	0	110.6	R121 A140 F143 E147 L148 K149	R121-C145 PolarHBondContact NE-SG 3.23Å; A140-C145 PolarHBondContact O-N 2.85Å; F143-C145 PolarHBondContact O-N 3.28Å; F143-C145 VanDerWaalsContact O-N 3.13Å; C145-E147 PolarHBondContact O-N 2.83Å; C145-L148 HydrophobicContact CB-CB 4.33Å; C145-L148 PolarHBondContact O-N 2.99Å; C145-L148 VanDerWaalsContact SG-CB 3.57Å; C145-K149 WeakPolarHBondContact O-CB 3.34Å; C145-K149 PolarHBondContact O-N 3.23Å
146	E	95.8	Very high	96.1	Very high	100 Å²	100	42.7 Å²	42.7	47%	0.467	22%	0.219	S	C	.	.	H	α-helix	trans	-59.4	-39.5	-169.1	-172.8	57.1	-154.2	0	0	114.5	S144 L148 K149 Q150	S144-E146 PolarHBondContact O-N 3.49Å; E146-L148 PolarHBondContact O-N 3.02Å; E146-K149 WeakPolarHBondContact O-CB 3.33Å; E146-K149 PolarHBondContact O-N 3.01Å; E146-Q150 HydrophobicContact CG-CG 4.37Å; E146-Q150 WeakPolarHBondContact O-CB 3.4Å; E146-Q150 VanDerWaalsContact O-CG 3.28Å; E146-Q150 WeakPolarHBondContact O-CG 3.43Å; E146-Q150 PolarHBondContact O-N 2.83Å; E146-Q150 VanDerWaalsContact OE1-CG 3.29Å; E146-Q150 WeakPolarHBondContact OE1-CG 3.21Å; E146-Q150 PolarHBondContact OE1-NE2 2.77Å
147	E	95.7	Very high	96.1	Very high	92 Å²	92	43 Å²	43	43%	0.43	22%	0.22	S	C	.	.	H	α-helix	trans	-64.5	-42.5	179.8	-173.2	-173.3	178.3	0	0	112.3	R121 I125 C145 S151	R121-E147 WeakPolarHBondContact CD-OE2 3.36Å; R121-E147 IonicContact NH1-OE2 3.77Å; R121-E147 PolarHBondContact NH1-OE2 3.46Å; I125-E147 HydrophobicContact CD1-CG 3.74Å; C145-E147 PolarHBondContact O-N 2.83Å; E147-S151 WeakPolarHBondContact O-CB 3.46Å; E147-S151 PolarHBondContact O-N 3.28Å; E147-S151 VanDerWaalsContact O-N 3.13Å; E147-S151 PolarHBondContact O-OG 3.17Å
148	L	97.2	Very high	95.8	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-67.7	-42.5	174.2	-179	64.3	0	0	0	110.5	R121 L124 I125 I128 F139 A140 C145 E146 Q150 S151 A152	R121-L148 HydrophobicContact CG-CB 4.46Å; L124-L148 HydrophobicContact CB-CD1 3.78Å; L124-L148 HydrophobicContact CB-CD2 4.23Å; L124-L148 HydrophobicContact CD1-CD2 3.87Å; I125-L148 HydrophobicContact CG1-CB 4.42Å; I125-L148 HydrophobicContact CG1-CD1 3.71Å; I128-L148 HydrophobicContact CD1-CD1 4.06Å; F139-L148 HydrophobicContact CD1-CD2 4Å; F139-L148 HydrophobicContact CE1-CD2 4.36Å; A140-L148 HydrophobicContact CB-CB 3.93Å; A140-L148 HydrophobicContact CB-CD2 3.89Å; A140-L148 HydrophobicContact CB-CG 3.77Å; C145-L148 HydrophobicContact CB-CB 4.33Å; C145-L148 PolarHBondContact O-N 2.99Å; C145-L148 VanDerWaalsContact SG-CB 3.57Å; E146-L148 PolarHBondContact O-N 3.02Å; L148-Q150 PolarHBondContact O-N 3.42Å; L148-S151 PolarHBondContact O-N 3.1Å; L148-A152 VanDerWaalsContact O-CB 3.28Å; L148-A152 WeakPolarHBondContact O-CB 3.42Å; L148-A152 PolarHBondContact O-N 3.15Å
149	K	97.7	Very high	95.5	Very high	41 Å²	41	43.2 Å²	43.2	18%	0.178	22%	0.217	C	C	.	.	H	α-helix	trans	-58.5	-48.5	178.5	-171.4	-177.6	174.6	169.5	0	111.1	L137 A140 D141 C145 E146 A152 K153	L137-K149 HydrophobicContact CD1-CG 3.67Å; L137-K149 WeakPolarHBondContact CD1-O 3.39Å; A140-K149 HydrophobicContact CB-CB 3.71Å; A140-K149 HydrophobicContact CB-CG 4.44Å; D141-K149 WeakPolarHBondContact OD1-CE 3.1Å; D141-K149 IonicContact OD1-NZ 3.32Å; D141-K149 PolarHBondContact OD1-NZ 2.83Å; C145-K149 WeakPolarHBondContact O-CB 3.34Å; C145-K149 PolarHBondContact O-N 3.23Å; E146-K149 WeakPolarHBondContact O-CB 3.33Å; E146-K149 PolarHBondContact O-N 3.01Å; K149-A152 PolarHBondContact O-N 3.01Å; K149-K153 VanDerWaalsContact O-CB 3.27Å; K149-K153 WeakPolarHBondContact O-CB 3.3Å; K149-K153 PolarHBondContact O-N 2.98Å
150	Q	96	Very high	95.5	Very high	84 Å²	84	42.2 Å²	42.2	39%	0.393	21%	0.212	S	C	.	.	H	α-helix	trans	-63.8	-42.6	178	-72	178.4	13	0	0	112.3	E146 L148 K153 R154	E146-Q150 HydrophobicContact CG-CG 4.37Å; E146-Q150 WeakPolarHBondContact O-CB 3.4Å; E146-Q150 VanDerWaalsContact O-CG 3.28Å; E146-Q150 WeakPolarHBondContact O-CG 3.43Å; E146-Q150 PolarHBondContact O-N 2.83Å; E146-Q150 VanDerWaalsContact OE1-CG 3.29Å; E146-Q150 WeakPolarHBondContact OE1-CG 3.21Å; E146-Q150 PolarHBondContact OE1-NE2 2.77Å; L148-Q150 PolarHBondContact O-N 3.42Å; Q150-K153 PolarHBondContact O-N 2.84Å; Q150-R154 VanDerWaalsContact O-CG 3.3Å; Q150-R154 WeakPolarHBondContact O-CG 3.28Å; Q150-R154 PolarHBondContact O-N 2.84Å
151	S	94.4	Very high	95.3	Very high	26 Å²	26	45.5 Å²	45.5	18%	0.182	23%	0.233	C	C	.	.	H	α-helix	trans	-65.5	-42.3	178.8	-57.4	0	0	0	0	111.4	E147 L148 R154 M155	E147-S151 WeakPolarHBondContact O-CB 3.46Å; E147-S151 PolarHBondContact O-N 3.28Å; E147-S151 VanDerWaalsContact O-N 3.13Å; E147-S151 PolarHBondContact O-OG 3.17Å; L148-S151 PolarHBondContact O-N 3.1Å; S151-R154 PolarHBondContact O-N 3.35Å; S151-M155 PolarHBondContact O-N 2.83Å
152	A	96.8	Very high	95	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-66.8	-43.8	176.8	0	0	0	0	0	111.6	I128 L136 L137 L148 K149 R154 M155 V156	I128-A152 HydrophobicContact CD1-CB 4.26Å; L136-A152 HydrophobicContact CB-CB 4.29Å; L137-A152 HydrophobicContact CB-CB 3.91Å; L137-A152 HydrophobicContact CD1-CB 4.41Å; L148-A152 VanDerWaalsContact O-CB 3.28Å; L148-A152 WeakPolarHBondContact O-CB 3.42Å; L148-A152 PolarHBondContact O-N 3.15Å; K149-A152 PolarHBondContact O-N 3.01Å; A152-R154 PolarHBondContact O-N 3.24Å; A152-M155 WeakPolarHBondContact O-CB 3.48Å; A152-M155 PolarHBondContact O-N 2.84Å; A152-V156 WeakPolarHBondContact O-CG2 3.44Å; A152-V156 PolarHBondContact O-N 3.31Å
153	K	97.1	Very high	95	Very high	39 Å²	39	39 Å²	39	17%	0.17	21%	0.206	C	C	.	.	H	α-helix	trans	-58.3	-46.5	175.5	-176.8	178.2	-179.2	176.2	0	111.5	L137 K149 Q150 M155 V156 E157 D179	L137-K153 HydrophobicContact CD1-CB 3.96Å; K149-K153 VanDerWaalsContact O-CB 3.27Å; K149-K153 WeakPolarHBondContact O-CB 3.3Å; K149-K153 PolarHBondContact O-N 2.98Å; Q150-K153 PolarHBondContact O-N 2.84Å; K153-M155 VanDerWaalsContact C-N 3.28Å; K153-M155 PolarHBondContact O-N 2.89Å; K153-V156 CarbonylContact O-C 3.57Å; K153-V156 WeakPolarHBondContact O-CB 3.31Å; K153-V156 PolarHBondContact O-N 3.41Å; K153-V156 VanDerWaalsContact O-N 3.1Å; K153-E157 WeakPolarHBondContact CE-OE1 3.4Å; K153-E157 HydrophobicContact CG-CG 4.36Å; K153-E157 WeakPolarHBondContact O-CG 3.44Å; K153-E157 PolarHBondContact O-N 3Å; K153-D179 WeakPolarHBondContact CD-OD2 3.32Å; K153-D179 WeakPolarHBondContact CE-O 3.43Å; K153-D179 VanDerWaalsContact CE-OD2 3.3Å; K153-D179 WeakPolarHBondContact CE-OD2 3.5Å; K153-D179 PolarHBondContact NZ-O 3.2Å; K153-D179 VanDerWaalsContact NZ-O 3.14Å; K153-D179 IonicContact NZ-OD1 3.91Å; K153-D179 PolarHBondContact NZ-OD1 3.01Å; K153-D179 IonicContact NZ-OD2 3.81Å; K153-D179 PolarHBondContact NZ-OD2 2.81Å
154	R	93.9	Very high	95	Very high	82 Å²	82	37.8 Å²	37.8	31%	0.309	20%	0.2	S	C	.	.	H	α-helix	trans	-58.4	-40.9	176.6	-74.2	178.7	-134.9	166.7	5	112	Q150 S151 A152 E157 H158	Q150-R154 VanDerWaalsContact O-CG 3.3Å; Q150-R154 WeakPolarHBondContact O-CG 3.28Å; Q150-R154 PolarHBondContact O-N 2.84Å; S151-R154 PolarHBondContact O-N 3.35Å; A152-R154 PolarHBondContact O-N 3.24Å; R154-E157 PolarHBondContact O-N 3.21Å; R154-H158 WeakPolarHBondContact O-CB 3.19Å; R154-H158 PolarHBondContact O-N 2.85Å
155	M	93.2	Very high	95	Very high	26 Å²	26	38 Å²	38	13%	0.128	19%	0.189	C	C	.	.	H	α-helix	trans	-64.3	-41.9	175.5	-173.6	78.3	-89	0	0	111.8	I128 C133 S151 A152 K153 E157 H158 K159	I128-M155 HydrophobicContact CG2-CB 3.46Å; I128-M155 VanDerWaalsContact CG2-CB 3.46Å; I128-M155 HydrophobicContact CG2-CG 3.51Å; I128-M155 HydrophobicContact CG2-SD 4.22Å; C133-M155 HydrophobicContact CB-CB 3.75Å; C133-M155 HydrophobicContact CB-CG 3.55Å; S151-M155 PolarHBondContact O-N 2.83Å; A152-M155 WeakPolarHBondContact O-CB 3.48Å; A152-M155 PolarHBondContact O-N 2.84Å; K153-M155 VanDerWaalsContact C-N 3.28Å; K153-M155 PolarHBondContact O-N 2.89Å; M155-E157 VanDerWaalsContact C-N 3.35Å; M155-H158 HydrophobicContact CE-CB 4.06Å; M155-H158 PolarHBondContact O-N 3.42Å; M155-K159 HydrophobicContact CE-CB 4Å; M155-K159 HydrophobicContact CE-CD 4.43Å; M155-K159 HydrophobicContact CE-CG 3.2Å; M155-K159 PolarHBondContact O-N 3.05Å
156	V	96.4	Very high	95	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-61.1	-42.9	173.7	173.2	0	0	0	0	111.2	C133 V134 L137 A152 K153 F160 V163 I180	C133-V156 HydrophobicContact CB-CG2 3.93Å; C133-V156 VanDerWaalsContact SG-CG2 3.6Å; V134-V156 HydrophobicContact CG2-CG2 3.98Å; L137-V156 HydrophobicContact CD2-CG2 4.33Å; A152-V156 WeakPolarHBondContact O-CG2 3.44Å; A152-V156 PolarHBondContact O-N 3.31Å; K153-V156 CarbonylContact O-C 3.57Å; K153-V156 WeakPolarHBondContact O-CB 3.31Å; K153-V156 PolarHBondContact O-N 3.41Å; K153-V156 VanDerWaalsContact O-N 3.1Å; V156-F160 WeakPolarHBondContact O-CA 3.42Å; V156-F160 WeakPolarHBondContact O-CB 3.38Å; V156-F160 PolarHBondContact O-N 3.48Å; V156-V163 HydrophobicContact CG1-CG1 4.21Å; V156-V163 HydrophobicContact CG2-CG1 4.48Å; V156-I180 HydrophobicContact CG1-CD1 4.04Å; V156-I180 HydrophobicContact CG1-CG1 4.27Å; V156-I180 HydrophobicContact CG1-CG2 4.06Å
157	E	95.3	Very high	95	Very high	8 Å²	8	40.5 Å²	40.5	4%	0.037	20%	0.204	C	C	.	.	H	α-helix	trans	-63.6	-44.6	177.2	-69.8	174.3	163.2	0	0	111.6	K153 R154 M155 S183 N185 L186 N187	K153-E157 WeakPolarHBondContact CE-OE1 3.4Å; K153-E157 HydrophobicContact CG-CG 4.36Å; K153-E157 WeakPolarHBondContact O-CG 3.44Å; K153-E157 PolarHBondContact O-N 3Å; R154-E157 PolarHBondContact O-N 3.21Å; M155-E157 VanDerWaalsContact C-N 3.35Å; E157-S183 VanDerWaalsContact OE1-CB 3.25Å; E157-S183 WeakPolarHBondContact OE1-CB 3.5Å; E157-S183 PolarHBondContact OE1-OG 3Å; E157-N185 HydrophobicContact CB-CB 4.48Å; E157-N185 HydrophobicContact CG-CB 4.47Å; E157-N185 WeakPolarHBondContact OE2-CB 3.21Å; E157-L186 HydrophobicContact CG-CD2 4.19Å; E157-N187 WeakPolarHBondContact O-CB 3.29Å; E157-N187 PolarHBondContact O-N 2.95Å
158	H	92.3	Very high	94.9	Very high	14 Å²	14	37.5 Å²	37.5	7%	0.065	20%	0.195	C	C	.	.	H	α-helix	trans	-69	-40.5	-179.4	-178.1	59.9	0	0	0	113.1	R154 M155 N187 D317 W352	R154-H158 WeakPolarHBondContact O-CB 3.19Å; R154-H158 PolarHBondContact O-N 2.85Å; M155-H158 HydrophobicContact CE-CB 4.06Å; M155-H158 PolarHBondContact O-N 3.42Å; H158-N187 VanDerWaalsContact O-CB 3.3Å; H158-N187 WeakPolarHBondContact O-CB 3.31Å; H158-N187 PolarHBondContact O-ND2 2.98Å; H158-D317 IonicContact CD2-OD1 3.63Å; H158-D317 IonicContact CE1-OD1 2.83Å; H158-D317 IonicContact NE2-OD1 3.57Å; H158-D317 PolarHBondContact NE2-OD1 3.29Å; H158-W352 AromaticContact CD2-CZ2 3.76Å; H158-W352 AromaticContact NE2-CZ2 3.65Å
159	K	92.3	Very high	94.9	Very high	32 Å²	32	37.5 Å²	37.5	14%	0.139	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.1	23.2	-178.4	-68.5	-70.7	-174.9	176.2	0	113.2	A130 M155 T161 A162 V163 D317	A130-K159 HydrophobicContact CB-CB 4.14Å; A130-K159 HydrophobicContact CB-CG 4.15Å; M155-K159 HydrophobicContact CE-CB 4Å; M155-K159 HydrophobicContact CE-CD 4.43Å; M155-K159 HydrophobicContact CE-CG 3.2Å; M155-K159 PolarHBondContact O-N 3.05Å; K159-T161 PolarHBondContact O-N 2.99Å; K159-T161 VanDerWaalsContact O-N 3.07Å; K159-A162 PolarHBondContact O-N 2.75Å; K159-V163 HydrophobicContact CB-CG2 3.99Å; K159-V163 WeakPolarHBondContact O-CB 3.41Å; K159-V163 VanDerWaalsContact O-CG2 3.24Å; K159-V163 WeakPolarHBondContact O-CG2 3.45Å; K159-V163 PolarHBondContact O-N 2.76Å; K159-D317 WeakPolarHBondContact CE-OD2 3.15Å; K159-D317 IonicContact NZ-OD1 2.65Å; K159-D317 IonicContact NZ-OD2 2.96Å; K159-D317 PolarHBondContact NZ-OD2 3.21Å
160	F	95.7	Very high	94.8	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-48.7	-45.1	-172.9	-174.3	-98.2	0	0	0	113	V156 A162 V163 Y164 F169 I180 L181 L186 V188 T193 V194 A197	V156-F160 WeakPolarHBondContact O-CA 3.42Å; V156-F160 WeakPolarHBondContact O-CB 3.38Å; V156-F160 PolarHBondContact O-N 3.48Å; F160-A162 VanDerWaalsContact C-N 3.29Å; F160-A162 PolarHBondContact O-N 3.18Å; F160-V163 PolarHBondContact O-N 3.44Å; F160-V163 VanDerWaalsContact O-N 3.12Å; F160-Y164 HydrophobicContact CD1-CD1 4.4Å; F160-Y164 HydrophobicContact CE1-CD1 4.35Å; F160-Y164 VanDerWaalsContact O-CD1 3.29Å; F160-Y164 WeakPolarHBondContact O-CD1 3.23Å; F160-Y164 PolarHBondContact O-N 2.97Å; F160-F169 AromaticContact CE2-CE2 3.99Å; F160-F169 HydrophobicContact CE2-CE2 3.99Å; F160-F169 HydrophobicContact CE2-CZ 4.09Å; F160-F169 HydrophobicContact CZ-CZ 4.39Å; F160-I180 HydrophobicContact CD2-CG2 4.1Å; F160-I180 HydrophobicContact CE2-CG2 3.78Å; F160-L181 HydrophobicContact CE2-CD2 4.38Å; F160-L181 HydrophobicContact CZ-CD2 4.05Å; F160-L186 HydrophobicContact CB-CD2 4.43Å; F160-L186 HydrophobicContact CD2-CD2 3.63Å; F160-L186 HydrophobicContact CE2-CD2 4.03Å; F160-L186 HydrophobicContact CG-CD2 4.05Å; F160-V188 HydrophobicContact CD1-CG1 3.41Å; F160-V188 VanDerWaalsContact CD1-CG1 3.41Å; F160-V188 HydrophobicContact CE1-CG1 3.99Å; F160-V188 HydrophobicContact CG-CG1 4.27Å; F160-T193 HydrophobicContact CD1-CG2 4.45Å; F160-T193 HydrophobicContact CE1-CG2 4.35Å; F160-V194 HydrophobicContact CE1-CG2 4.38Å; F160-A197 HydrophobicContact CE1-CB 4Å; F160-A197 HydrophobicContact CZ-CB 3.62Å
161	T	93.4	Very high	94.8	Very high	70 Å²	70	38.5 Å²	38.5	43%	0.429	20%	0.2	S	C	.	.	H	α-helix	trans	-60.3	-30.6	-179	52.6	0	0	0	0	114.5	K159 Y164 V188 T193	K159-T161 PolarHBondContact O-N 2.99Å; K159-T161 VanDerWaalsContact O-N 3.07Å; T161-Y164 WeakPolarHBondContact O-CD1 3.15Å; T161-Y164 VanDerWaalsContact O-CE1 3.28Å; T161-Y164 WeakPolarHBondContact O-CE1 3.37Å; T161-V188 HydrophobicContact CG2-CG1 4.49Å; T161-T193 HydrophobicContact CG2-CG2 4.35Å
162	A	91.4	Very high	94.9	Very high	51 Å²	51	37.3 Å²	37.3	42%	0.421	19%	0.192	S	C	.	.	H	α-helix	trans	-87.6	-34	174.5	0	0	0	0	0	111.5	K159 F160	K159-A162 PolarHBondContact O-N 2.75Å; F160-A162 VanDerWaalsContact C-N 3.29Å; F160-A162 PolarHBondContact O-N 3.18Å
163	V	95.2	Very high	94.9	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-75.6	-37.9	-171.2	169.8	0	0	0	0	112.8	V134 V156 K159 F160 H165 Q166 F169	V134-V163 HydrophobicContact CG2-CB 4.46Å; V134-V163 HydrophobicContact CG2-CG1 3.04Å; V156-V163 HydrophobicContact CG1-CG1 4.21Å; V156-V163 HydrophobicContact CG2-CG1 4.48Å; K159-V163 HydrophobicContact CB-CG2 3.99Å; K159-V163 WeakPolarHBondContact O-CB 3.41Å; K159-V163 VanDerWaalsContact O-CG2 3.24Å; K159-V163 WeakPolarHBondContact O-CG2 3.45Å; K159-V163 PolarHBondContact O-N 2.76Å; F160-V163 PolarHBondContact O-N 3.44Å; F160-V163 VanDerWaalsContact O-N 3.12Å; V163-H165 PolarHBondContact O-N 2.84Å; V163-H165 VanDerWaalsContact O-N 3.12Å; V163-Q166 WeakPolarHBondContact O-CB 3.32Å; V163-Q166 PolarHBondContact O-N 2.81Å; V163-F169 HydrophobicContact CG1-CD2 4.19Å; V163-F169 WeakPolarHBondContact O-CB 3.4Å
164	Y	95.6	Very high	94.8	Very high	15 Å²	15	39.8 Å²	39.8	6%	0.059	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-17.2	-173.1	82.7	-95.6	0	0	0	114.3	F160 T161 M170 T193 E196 A197 L200	F160-Y164 HydrophobicContact CD1-CD1 4.4Å; F160-Y164 HydrophobicContact CE1-CD1 4.35Å; F160-Y164 VanDerWaalsContact O-CD1 3.29Å; F160-Y164 WeakPolarHBondContact O-CD1 3.23Å; F160-Y164 PolarHBondContact O-N 2.97Å; T161-Y164 WeakPolarHBondContact O-CD1 3.15Å; T161-Y164 VanDerWaalsContact O-CE1 3.28Å; T161-Y164 WeakPolarHBondContact O-CE1 3.37Å; Y164-M170 WeakPolarHBondContact O-CE 3.13Å; Y164-T193 HydrophobicContact CD1-CG2 4.1Å; Y164-T193 HydrophobicContact CE1-CG2 3.49Å; Y164-T193 VanDerWaalsContact CE1-CG2 3.49Å; Y164-E196 HydrophobicContact CE2-CG 4.1Å; Y164-E196 PolarHBondContact OH-OE1 3.1Å; Y164-A197 HydrophobicContact CD2-CB 3.73Å; Y164-A197 HydrophobicContact CG-CB 3.76Å; Y164-L200 HydrophobicContact CD2-CD1 3.98Å; Y164-L200 HydrophobicContact CE2-CD1 3.87Å
165	H	94.5	Very high	95	Very high	111 Å²	111	41.7 Å²	41.7	51%	0.514	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-12.3	174.9	-72.7	-63.2	0	0	0	113.7	V163 E196	V163-H165 PolarHBondContact O-N 2.84Å; V163-H165 VanDerWaalsContact O-N 3.12Å; H165-E196 IonicContact CE1-OE1 3.72Å
166	Q	94.9	Very high	95.2	Very high	45 Å²	45	40.7 Å²	40.7	21%	0.21	22%	0.221	C	C	.	.	S	Bend	trans	-77.8	147.3	-175.8	-62.4	173	-4.8	0	0	111.6	A130 V163 A168 F169 M170	A130-Q166 PolarHBondContact O-NE2 2.67Å; A130-Q166 PolarHBondContact O-OE1 3.26Å; V163-Q166 WeakPolarHBondContact O-CB 3.32Å; V163-Q166 PolarHBondContact O-N 2.81Å; Q166-A168 PolarHBondContact O-N 2.74Å; Q166-F169 WeakPolarHBondContact O-CB 3.28Å; Q166-F169 PolarHBondContact O-N 2.98Å; Q166-M170 PolarHBondContact O-N 3.13Å
167	D	95.4	Very high	95.2	Very high	115 Å²	115	40.7 Å²	40.7	62%	0.615	22%	0.221	S	C	*	.	H	α-helix	trans	-57.5	-34.9	174.9	-69.9	-50.2	0	0	0	112.4	F169 M170 Q171	D167-F169 PolarHBondContact O-N 3.43Å; D167-M170 WeakPolarHBondContact O-CB 3.46Å; D167-M170 PolarHBondContact O-N 3.08Å; D167-M170 VanDerWaalsContact O-N 3.1Å; D167-Q171 WeakPolarHBondContact O-CG 3.32Å; D167-Q171 PolarHBondContact O-N 3.43Å
168	A	95.1	Very high	95.3	Very high	29 Å²	29	41.9 Å²	41.9	24%	0.24	23%	0.227	C	C	.	.	H	α-helix	trans	-59	-36.4	176.5	0	0	0	0	0	112.1	V134 Q166 Q171 L172	V134-A168 HydrophobicContact CB-CB 3.98Å; V134-A168 HydrophobicContact CG1-CB 4.06Å; V134-A168 WeakPolarHBondContact CG1-O 3.3Å; Q166-A168 PolarHBondContact O-N 2.74Å; A168-Q171 PolarHBondContact O-N 2.93Å; A168-L172 PolarHBondContact O-N 3.16Å
169	F	96.9	Very high	95.4	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-66.5	-40.6	175.9	-171.7	-90.9	0	0	0	111.3	F160 V163 Q166 D167 Q171 L172 L177 A197	F160-F169 AromaticContact CE2-CE2 3.99Å; F160-F169 HydrophobicContact CE2-CE2 3.99Å; F160-F169 HydrophobicContact CE2-CZ 4.09Å; F160-F169 HydrophobicContact CZ-CZ 4.39Å; V163-F169 HydrophobicContact CG1-CD2 4.19Å; V163-F169 WeakPolarHBondContact O-CB 3.4Å; Q166-F169 WeakPolarHBondContact O-CB 3.28Å; Q166-F169 PolarHBondContact O-N 2.98Å; D167-F169 PolarHBondContact O-N 3.43Å; F169-Q171 PolarHBondContact O-N 3.07Å; F169-L172 HydrophobicContact CD2-CD1 3.53Å; F169-L172 HydrophobicContact CE2-CD1 3.74Å; F169-L172 HydrophobicContact CG-CD1 4.03Å; F169-L172 HydrophobicContact CZ-CD1 4.38Å; F169-L172 WeakPolarHBondContact O-CB 3.45Å; F169-L172 WeakPolarHBondContact O-CG 3.44Å; F169-L172 PolarHBondContact O-N 3.22Å; F169-L172 VanDerWaalsContact O-N 3.16Å; F169-L177 HydrophobicContact CE1-CD1 3.92Å; F169-L177 HydrophobicContact CZ-CD1 3.72Å; F169-A197 HydrophobicContact CE1-CB 4.07Å; F169-A197 HydrophobicContact CZ-CB 4.2Å
170	M	96.1	Very high	95.7	Very high	16 Å²	16	42.3 Å²	42.3	8%	0.079	23%	0.231	C	C	.	.	H	α-helix	trans	-64.6	-22.2	176.9	-55.8	-53.4	165.5	0	0	112.8	Y164 Q166 D167 L200 W201 Y204 R209	Y164-M170 WeakPolarHBondContact O-CE 3.13Å; Q166-M170 PolarHBondContact O-N 3.13Å; D167-M170 WeakPolarHBondContact O-CB 3.46Å; D167-M170 PolarHBondContact O-N 3.08Å; D167-M170 VanDerWaalsContact O-N 3.1Å; M170-L200 HydrophobicContact CE-CB 3.47Å; M170-L200 VanDerWaalsContact CE-CB 3.47Å; M170-L200 HydrophobicContact CE-CD1 4.02Å; M170-L200 HydrophobicContact CE-CG 4.31Å; M170-L200 HydrophobicContact SD-CB 3.95Å; M170-W201 HydrophobicContact SD-CB 4.47Å; M170-Y204 HydrophobicContact CB-CD1 4.06Å; M170-Y204 HydrophobicContact CB-CD2 3.65Å; M170-Y204 HydrophobicContact CB-CE1 4.3Å; M170-Y204 HydrophobicContact CB-CE2 3.92Å; M170-Y204 HydrophobicContact CB-CG 3.73Å; M170-Y204 HydrophobicContact CG-CD2 4Å; M170-Y204 HydrophobicContact CG-CE2 4.43Å; M170-Y204 HydrophobicContact CG-CG 4.36Å; M170-R209 VanDerWaalsContact O-CZ 3.23Å; M170-R209 PolarHBondContact O-NH1 3.4Å; M170-R209 PolarHBondContact O-NH2 2.88Å
171	Q	95.3	Very high	95.7	Very high	129 Å²	129	42.3 Å²	42.3	60%	0.603	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-3	178.9	-66.7	177.1	14	0	0	114.2	D167 A168 F169	D167-Q171 WeakPolarHBondContact O-CG 3.32Å; D167-Q171 PolarHBondContact O-N 3.43Å; A168-Q171 PolarHBondContact O-N 2.93Å; F169-Q171 PolarHBondContact O-N 3.07Å
172	L	96.8	Very high	95.7	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.01	23%	0.227	C	C	.	.			trans	-54.4	143	177.4	-78.4	170.1	0	0	0	112.1	V134 A168 F169 L176 I180 W201	V134-L172 HydrophobicContact CG1-CD1 4.03Å; V134-L172 HydrophobicContact CG1-CD2 3.66Å; V134-L172 HydrophobicContact CG1-CG 3.72Å; A168-L172 PolarHBondContact O-N 3.16Å; F169-L172 HydrophobicContact CD2-CD1 3.53Å; F169-L172 HydrophobicContact CE2-CD1 3.74Å; F169-L172 HydrophobicContact CG-CD1 4.03Å; F169-L172 HydrophobicContact CZ-CD1 4.38Å; F169-L172 WeakPolarHBondContact O-CB 3.45Å; F169-L172 WeakPolarHBondContact O-CG 3.44Å; F169-L172 PolarHBondContact O-N 3.22Å; F169-L172 VanDerWaalsContact O-N 3.16Å; L172-L176 HydrophobicContact CD2-CB 4.02Å; L172-L176 HydrophobicContact CD2-CD1 4.18Å; L172-I180 HydrophobicContact CD1-CD1 3.57Å; L172-I180 HydrophobicContact CD2-CD1 4.42Å; L172-W201 PolarHBondContact O-NE1 3.13Å
173	S	95.9	Very high	95.8	Very high	50 Å²	50	39.4 Å²	39.4	35%	0.35	21%	0.211	S	C	.	.			trans	-64.2	157	169	70.5	0	0	0	0	110.4	D175 L176 L177	S173-D175 VanDerWaalsContact C-N 3.29Å; S173-D175 PolarHBondContact O-N 3.21Å; S173-L176 PolarHBondContact O-N 2.85Å; S173-L176 WeakPolarHBondContact OG-CB 3.35Å; S173-L176 VanDerWaalsContact OG-CG 3.32Å; S173-L176 WeakPolarHBondContact OG-CG 3.47Å; S173-L176 PolarHBondContact OG-N 3.31Å; S173-L177 WeakPolarHBondContact O-CB 3.15Å; S173-L177 PolarHBondContact O-N 3.31Å
174	H	96.1	Very high	95.7	Very high	40 Å²	40	42 Å²	42	19%	0.185	23%	0.225	C	C	.	.	H	α-helix	trans	-56.5	-44.1	175.9	168.2	-109.6	0	0	0	111.7	L177 I178 W201 Y212 S215	H174-L177 PolarHBondContact O-N 3Å; H174-I178 WeakPolarHBondContact O-CG1 3.39Å; H174-I178 PolarHBondContact O-N 3.27Å; H174-W201 HydrophobicContact CB-CH2 4.33Å; H174-Y212 HydrophobicContact CB-CD1 4.23Å; H174-Y212 HydrophobicContact CB-CD2 4.29Å; H174-Y212 HydrophobicContact CB-CE1 4.16Å; H174-Y212 HydrophobicContact CB-CE2 4.24Å; H174-Y212 HydrophobicContact CB-CG 4.3Å; H174-Y212 AromaticContact CD2-CD1 3.48Å; H174-Y212 VanDerWaalsContact CD2-CD1 3.48Å; H174-Y212 WeakPolarHBondContact CD2-CD1 3.47Å; H174-Y212 AromaticContact CD2-CG 3.56Å; H174-Y212 AromaticContact CE1-CD1 3.74Å; H174-Y212 AromaticContact CG-CD1 3.51Å; H174-Y212 AromaticContact CG-CE1 3.73Å; H174-Y212 AromaticContact CG-CG 3.84Å; H174-Y212 AromaticContact ND1-CD1 3.68Å; H174-Y212 AromaticContact ND1-CE1 3.69Å; H174-Y212 AromaticContact NE2-CD1 3.6Å; H174-S215 PolarHBondContact NE2-OG 3.02Å
175	D	96.3	Very high	95.6	Very high	122 Å²	122	44.2 Å²	44.2	65%	0.652	24%	0.238	S	C	*	.	H	α-helix	trans	-63.7	-45.8	-178.9	-65	-43.6	0	0	0	112.4	S173 I178 D179	S173-D175 VanDerWaalsContact C-N 3.29Å; S173-D175 PolarHBondContact O-N 3.21Å; D175-I178 PolarHBondContact O-N 3.28Å; D175-D179 WeakPolarHBondContact O-CB 3.46Å; D175-D179 PolarHBondContact O-N 3.16Å
176	L	97.3	Very high	95.6	Very high	6 Å²	6	38.9 Å²	38.9	3%	0.031	21%	0.213	C	C	.	.	H	α-helix	trans	-66.8	-37.9	177.9	-69.3	176	0	0	0	111.8	L137 D141 L172 S173 D179 I180	L137-L176 HydrophobicContact CG-CD2 4.41Å; D141-L176 HydrophobicContact CB-CD1 3.98Å; D141-L176 HydrophobicContact CB-CD2 4.01Å; D141-L176 HydrophobicContact CB-CG 4.45Å; L172-L176 HydrophobicContact CD2-CB 4.02Å; L172-L176 HydrophobicContact CD2-CD1 4.18Å; S173-L176 PolarHBondContact O-N 2.85Å; S173-L176 WeakPolarHBondContact OG-CB 3.35Å; S173-L176 VanDerWaalsContact OG-CG 3.32Å; S173-L176 WeakPolarHBondContact OG-CG 3.47Å; S173-L176 PolarHBondContact OG-N 3.31Å; L176-D179 PolarHBondContact O-N 2.77Å; L176-I180 WeakPolarHBondContact O-CD1 3.46Å; L176-I180 VanDerWaalsContact O-CG1 3.28Å; L176-I180 WeakPolarHBondContact O-CG1 3.47Å; L176-I180 PolarHBondContact O-N 2.93Å
177	L	97.4	Very high	95.5	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-61.2	-47.6	175.4	-177.1	78.2	0	0	0	111.2	F169 S173 H174 D179 I180 L181 W201 V216	F169-L177 HydrophobicContact CE1-CD1 3.92Å; F169-L177 HydrophobicContact CZ-CD1 3.72Å; S173-L177 WeakPolarHBondContact O-CB 3.15Å; S173-L177 PolarHBondContact O-N 3.31Å; H174-L177 PolarHBondContact O-N 3Å; L177-D179 VanDerWaalsContact C-N 3.3Å; L177-D179 PolarHBondContact O-N 3.5Å; L177-I180 PolarHBondContact O-N 2.97Å; L177-L181 HydrophobicContact CD1-CD1 4.01Å; L177-L181 HydrophobicContact CD1-CG 4.16Å; L177-L181 HydrophobicContact CD2-CD1 4.07Å; L177-L181 HydrophobicContact CG-CD1 3.74Å; L177-L181 HydrophobicContact CG-CG 4.12Å; L177-L181 WeakPolarHBondContact O-CB 3.48Å; L177-L181 WeakPolarHBondContact O-CG 3.39Å; L177-L181 PolarHBondContact O-N 3.2Å; L177-W201 HydrophobicContact CD1-CB 4.37Å; L177-W201 HydrophobicContact CD1-CD2 4.5Å; L177-W201 HydrophobicContact CD1-CG 4.05Å; L177-W201 HydrophobicContact CD2-CB 4.37Å; L177-W201 HydrophobicContact CD2-CD2 3.38Å; L177-W201 HydrophobicContact CD2-CE3 3.49Å; L177-W201 VanDerWaalsContact CD2-CE3 3.49Å; L177-W201 HydrophobicContact CD2-CG 3.77Å; L177-W201 HydrophobicContact CD2-CH2 4.21Å; L177-W201 HydrophobicContact CD2-CZ2 4.11Å; L177-W201 HydrophobicContact CD2-CZ3 3.92Å; L177-W201 HydrophobicContact CG-CD2 4.46Å; L177-V216 HydrophobicContact CD2-CG1 4.21Å; L177-V216 HydrophobicContact CD2-CG2 3.89Å
178	I	96.5	Very high	95.5	Very high	33 Å²	33	31.9 Å²	31.9	17%	0.169	18%	0.177	C	C	.	.	H	α-helix	trans	-61.9	-41.6	177.6	-65.8	-63.4	0	0	0	110.4	H174 D175 I180 L181 S182 S215 V216 Q219	H174-I178 WeakPolarHBondContact O-CG1 3.39Å; H174-I178 PolarHBondContact O-N 3.27Å; D175-I178 PolarHBondContact O-N 3.28Å; I178-I180 VanDerWaalsContact C-N 3.27Å; I178-I180 PolarHBondContact O-N 2.94Å; I178-L181 PolarHBondContact O-N 3.16Å; I178-S182 WeakPolarHBondContact O-CB 3.44Å; I178-S182 PolarHBondContact O-N 3.21Å; I178-S182 PolarHBondContact O-OG 3.18Å; I178-S215 WeakPolarHBondContact CD1-O 3.22Å; I178-V216 HydrophobicContact CD1-CG2 4.17Å; I178-Q219 HydrophobicContact CD1-CG 3.59Å; I178-Q219 HydrophobicContact CG2-CG 4.31Å
179	D	96	Very high	95.4	Very high	54 Å²	54	36.3 Å²	36.3	29%	0.289	19%	0.193	S	C	.	.	H	α-helix	trans	-61.2	-34	177.2	-173.6	45.7	0	0	0	113.1	K153 D175 L176 L177 S182	K153-D179 WeakPolarHBondContact CD-OD2 3.32Å; K153-D179 WeakPolarHBondContact CE-O 3.43Å; K153-D179 VanDerWaalsContact CE-OD2 3.3Å; K153-D179 WeakPolarHBondContact CE-OD2 3.5Å; K153-D179 PolarHBondContact NZ-O 3.2Å; K153-D179 VanDerWaalsContact NZ-O 3.14Å; K153-D179 IonicContact NZ-OD1 3.91Å; K153-D179 PolarHBondContact NZ-OD1 3.01Å; K153-D179 IonicContact NZ-OD2 3.81Å; K153-D179 PolarHBondContact NZ-OD2 2.81Å; D175-D179 WeakPolarHBondContact O-CB 3.46Å; D175-D179 PolarHBondContact O-N 3.16Å; L176-D179 PolarHBondContact O-N 2.77Å; L177-D179 VanDerWaalsContact C-N 3.3Å; L177-D179 PolarHBondContact O-N 3.5Å; D179-S182 PolarHBondContact O-OG 3.19Å
180	I	97.3	Very high	95.2	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-76.4	-55	174	-65.2	159	0	0	0	111	L137 V156 F160 L172 L176 L177 I178 S182 S183 L186	L137-I180 HydrophobicContact CD2-CD1 3.74Å; L137-I180 HydrophobicContact CD2-CG1 4.17Å; V156-I180 HydrophobicContact CG1-CD1 4.04Å; V156-I180 HydrophobicContact CG1-CG1 4.27Å; V156-I180 HydrophobicContact CG1-CG2 4.06Å; F160-I180 HydrophobicContact CD2-CG2 4.1Å; F160-I180 HydrophobicContact CE2-CG2 3.78Å; L172-I180 HydrophobicContact CD1-CD1 3.57Å; L172-I180 HydrophobicContact CD2-CD1 4.42Å; L176-I180 WeakPolarHBondContact O-CD1 3.46Å; L176-I180 VanDerWaalsContact O-CG1 3.28Å; L176-I180 WeakPolarHBondContact O-CG1 3.47Å; L176-I180 PolarHBondContact O-N 2.93Å; L177-I180 PolarHBondContact O-N 2.97Å; I178-I180 VanDerWaalsContact C-N 3.27Å; I178-I180 PolarHBondContact O-N 2.94Å; I180-S182 VanDerWaalsContact C-N 3.26Å; I180-S182 PolarHBondContact O-N 2.85Å; I180-S183 WeakPolarHBondContact O-CB 3.39Å; I180-S183 PolarHBondContact O-N 2.76Å; I180-L186 HydrophobicContact CG2-CD2 3.94Å
181	L	95.4	Very high	95	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-66	-28.6	-173.7	-64.9	-179	0	0	0	112.8	F160 L177 I178 S183 V194 A198 V216 Q219 R260	F160-L181 HydrophobicContact CE2-CD2 4.38Å; F160-L181 HydrophobicContact CZ-CD2 4.05Å; L177-L181 HydrophobicContact CD1-CD1 4.01Å; L177-L181 HydrophobicContact CD1-CG 4.16Å; L177-L181 HydrophobicContact CD2-CD1 4.07Å; L177-L181 HydrophobicContact CG-CD1 3.74Å; L177-L181 HydrophobicContact CG-CG 4.12Å; L177-L181 WeakPolarHBondContact O-CB 3.48Å; L177-L181 WeakPolarHBondContact O-CG 3.39Å; L177-L181 PolarHBondContact O-N 3.2Å; I178-L181 PolarHBondContact O-N 3.16Å; L181-S183 PolarHBondContact O-N 3.31Å; L181-V194 HydrophobicContact CD2-CG1 3.75Å; L181-A198 HydrophobicContact CD1-CB 3.86Å; L181-V216 HydrophobicContact CD1-CG1 4.08Å; L181-Q219 HydrophobicContact CB-CB 3.79Å; L181-Q219 HydrophobicContact CB-CG 4.24Å; L181-R260 VanDerWaalsContact O-CZ 3.3Å; L181-R260 PolarHBondContact O-NH1 3.1Å; L181-R260 PolarHBondContact O-NH2 3.44Å
182	S	93.7	Very high	94.9	Very high	49 Å²	49	37.3 Å²	37.3	34%	0.343	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-19.1	174.3	64.6	0	0	0	0	112.9	I178 D179 I180 D184 Q219 R260	I178-S182 WeakPolarHBondContact O-CB 3.44Å; I178-S182 PolarHBondContact O-N 3.21Å; I178-S182 PolarHBondContact O-OG 3.18Å; D179-S182 PolarHBondContact O-OG 3.19Å; I180-S182 VanDerWaalsContact C-N 3.26Å; I180-S182 PolarHBondContact O-N 2.85Å; S182-D184 PolarHBondContact O-N 3.41Å; S182-Q219 VanDerWaalsContact CB-OE1 3.23Å; S182-R260 PolarHBondContact O-NH1 2.7Å
183	S	94.3	Very high	94.8	Very high	12 Å²	12	38.6 Å²	38.6	8%	0.084	20%	0.203	C	C	.	.			trans	-64.5	130.4	-172.3	-174.3	0	0	0	0	113.3	E157 I180 L181 N185 R260	E157-S183 VanDerWaalsContact OE1-CB 3.25Å; E157-S183 WeakPolarHBondContact OE1-CB 3.5Å; E157-S183 PolarHBondContact OE1-OG 3Å; I180-S183 WeakPolarHBondContact O-CB 3.39Å; I180-S183 PolarHBondContact O-N 2.76Å; L181-S183 PolarHBondContact O-N 3.31Å; S183-N185 PolarHBondContact O-N 2.87Å; S183-N185 PolarHBondContact OG-N 3.33Å; S183-N185 VanDerWaalsContact OG-N 3.14Å; S183-R260 WeakPolarHBondContact O-CD 3.47Å; S183-R260 PolarHBondContact O-NH1 3.19Å
184	D	92.5	Very high	94.8	Very high	54 Å²	54	36.2 Å²	36.2	29%	0.289	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-21.9	169.9	-75.8	-51.9	0	0	0	112.5	S182 L186 R221 K258 R260 L261	S182-D184 PolarHBondContact O-N 3.41Å; D184-L186 VanDerWaalsContact C-N 3.3Å; D184-L186 PolarHBondContact O-N 3.21Å; D184-R221 IonicContact OD1-CZ 3.76Å; D184-R221 VanDerWaalsContact OD1-CZ 3.28Å; D184-R221 IonicContact OD1-NH1 2.69Å; D184-R221 PolarHBondContact OD1-NH1 2.68Å; D184-R221 IonicContact OD1-NH2 2.99Å; D184-R221 PolarHBondContact OD1-NH2 3.18Å; D184-K258 VanDerWaalsContact CG-NZ 3.34Å; D184-K258 WeakPolarHBondContact OD1-CD 3.28Å; D184-K258 WeakPolarHBondContact OD1-CE 3.45Å; D184-K258 IonicContact OD1-NZ 2.73Å; D184-K258 WeakPolarHBondContact OD2-CE 3.28Å; D184-K258 IonicContact OD2-NZ 2.85Å; D184-K258 PolarHBondContact OD2-NZ 2.97Å; D184-R260 CarbonylContact O-C 3.55Å; D184-R260 WeakPolarHBondContact O-CA 3.42Å; D184-L261 WeakPolarHBondContact O-CB 3.46Å; D184-L261 PolarHBondContact O-N 3.31Å
185	N	93.9	Very high	94.5	Very high	61 Å²	61	37.6 Å²	37.6	33%	0.326	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	2.2	-170.9	-63.3	-33.8	0	0	0	113.9	E157 S183 N187 L261 Q356	E157-N185 HydrophobicContact CB-CB 4.48Å; E157-N185 HydrophobicContact CG-CB 4.47Å; E157-N185 WeakPolarHBondContact OE2-CB 3.21Å; S183-N185 PolarHBondContact O-N 2.87Å; S183-N185 PolarHBondContact OG-N 3.33Å; S183-N185 VanDerWaalsContact OG-N 3.14Å; N185-N187 PolarHBondContact O-N 3.49Å; N185-L261 HydrophobicContact CB-CD2 4.37Å; N185-Q356 VanDerWaalsContact CB-NE2 3.34Å; N185-Q356 PolarHBondContact ND2-NE2 3.26Å; N185-Q356 PolarHBondContact OD1-NE2 3.02Å
186	L	95.1	Very high	94.4	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.175	C	C	.	.			trans	-57.6	125.3	179.1	-65.5	178.8	0	0	0	111	E157 F160 I180 D184 V188 V194 G262	E157-L186 HydrophobicContact CG-CD2 4.19Å; F160-L186 HydrophobicContact CB-CD2 4.43Å; F160-L186 HydrophobicContact CD2-CD2 3.63Å; F160-L186 HydrophobicContact CE2-CD2 4.03Å; F160-L186 HydrophobicContact CG-CD2 4.05Å; I180-L186 HydrophobicContact CG2-CD2 3.94Å; D184-L186 VanDerWaalsContact C-N 3.3Å; D184-L186 PolarHBondContact O-N 3.21Å; L186-V188 HydrophobicContact CB-CG1 4.46Å; L186-V188 HydrophobicContact CB-CG2 4.35Å; L186-V188 PolarHBondContact O-N 2.87Å; L186-V194 HydrophobicContact CD1-CG1 4.25Å; L186-V194 HydrophobicContact CD1-CG2 3.97Å; L186-G262 PolarHBondContact O-N 2.9Å; L186-G262 VanDerWaalsContact O-N 3.08Å
187	N	92.9	Very high	94.3	Very high	13 Å²	13	34.9 Å²	34.9	7%	0.07	17%	0.173	C	C	.	.			trans	-83.2	62.5	-179	-169	15.4	0	0	0	111.9	E157 H158 N185 K265 Y587	E157-N187 WeakPolarHBondContact O-CB 3.29Å; E157-N187 PolarHBondContact O-N 2.95Å; H158-N187 VanDerWaalsContact O-CB 3.3Å; H158-N187 WeakPolarHBondContact O-CB 3.31Å; H158-N187 PolarHBondContact O-ND2 2.98Å; N185-N187 PolarHBondContact O-N 3.49Å; N187-K265 WeakPolarHBondContact OD1-CE 3.3Å; N187-K265 PolarHBondContact OD1-NZ 2.89Å; N187-Y587 PolarHBondContact ND2-OH 3.32Å; N187-Y587 PolarHBondContact OD1-OH 2.9Å
188	V	94.3	Very high	94.1	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.173	C	C	.	.			trans	-113.3	140	179.2	-63.2	0	0	0	0	111.2	F160 T161 L186 K190 T193 V194 R260 G262 M263	F160-V188 HydrophobicContact CD1-CG1 3.41Å; F160-V188 VanDerWaalsContact CD1-CG1 3.41Å; F160-V188 HydrophobicContact CE1-CG1 3.99Å; F160-V188 HydrophobicContact CG-CG1 4.27Å; T161-V188 HydrophobicContact CG2-CG1 4.49Å; L186-V188 HydrophobicContact CB-CG1 4.46Å; L186-V188 HydrophobicContact CB-CG2 4.35Å; L186-V188 PolarHBondContact O-N 2.87Å; V188-K190 VanDerWaalsContact C-N 3.33Å; V188-T193 HydrophobicContact CG1-CG2 4.17Å; V188-V194 HydrophobicContact CB-CG2 4.46Å; V188-V194 HydrophobicContact CG1-CG2 4.11Å; V188-V194 HydrophobicContact CG2-CG2 3.84Å; V188-R260 HydrophobicContact CG2-CB 3.83Å; V188-R260 HydrophobicContact CG2-CG 3.84Å; V188-G262 CarbonylContact O-C 3.56Å; V188-G262 VanDerWaalsContact O-CA 3.25Å; V188-G262 WeakPolarHBondContact O-CA 3.33Å; V188-M263 WeakPolarHBondContact O-CG 3.43Å; V188-M263 PolarHBondContact O-N 3.23Å; V188-M263 VanDerWaalsContact O-N 3.1Å
189	E	92.5	Very high	93.8	Very high	121 Å²	121	35.5 Å²	35.5	57%	0.565	18%	0.176	S	C	*	.	S	Bend	trans	-77.8	-23.7	175	-60.9	-167.9	155.3	0	0	112.1	K585	E189-K585 IonicContact OE1-NZ 3.73Å
190	K	93	Very high	93.7	Very high	131 Å²	131	35.5 Å²	35.5	57%	0.57	18%	0.176	S	C	*	.	S	Bend	trans	-145.5	143.6	-175	-61.9	-175.4	-174.9	175.3	0	110.8	V188 E192 T193	V188-K190 VanDerWaalsContact C-N 3.33Å; K190-E192 WeakPolarHBondContact CB-OE2 3.44Å; K190-E192 PolarHBondContact O-N 3.34Å; K190-T193 PolarHBondContact O-N 3.5Å
191	E	93	Very high	93.7	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-68.5	-20.9	178.4	-170.7	72.7	-174.2	0	0	111.8	T193 V194 R195 I220 R221 A224 L225 R260	E191-T193 PolarHBondContact O-N 3.29Å; E191-T193 VanDerWaalsContact O-N 3.16Å; E191-V194 WeakPolarHBondContact O-CB 3.49Å; E191-V194 PolarHBondContact O-N 2.73Å; E191-R195 PolarHBondContact O-N 2.83Å; E191-I220 HydrophobicContact CG-CG2 4.11Å; E191-R221 HydrophobicContact CG-CB 4.07Å; E191-R221 PolarHBondContact OE1-N 3.46Å; E191-A224 HydrophobicContact CB-CB 3.69Å; E191-A224 HydrophobicContact CG-CB 4.12Å; E191-L225 HydrophobicContact CB-CD2 4.03Å; E191-L225 HydrophobicContact CG-CD2 4.06Å; E191-L225 HydrophobicContact CG-CG 4.44Å; E191-R260 IonicContact OE1-CZ 2.7Å; E191-R260 IonicContact OE1-NE 2.8Å; E191-R260 IonicContact OE1-NH2 2.87Å; E191-R260 PolarHBondContact OE1-NH2 2.91Å; E191-R260 WeakPolarHBondContact OE2-CG 3.29Å; E191-R260 IonicContact OE2-CZ 2.63Å; E191-R260 IonicContact OE2-NE 3.96Å; E191-R260 PolarHBondContact OE2-NE 2.93Å; E191-R260 IonicContact OE2-NH2 3.78Å
192	E	92.3	Very high	93.5	Very high	36 Å²	36	36.3 Å²	36.3	17%	0.168	18%	0.18	C	C	.	.	H	α-helix	trans	-54.4	-32.6	173.1	-75.7	85.5	169.2	0	0	113.3	K190 R195 E196 L225 S226 T229	K190-E192 WeakPolarHBondContact CB-OE2 3.44Å; K190-E192 PolarHBondContact O-N 3.34Å; E192-R195 WeakPolarHBondContact O-CB 3.27Å; E192-R195 PolarHBondContact O-N 2.99Å; E192-E196 WeakPolarHBondContact O-CB 3.43Å; E192-E196 PolarHBondContact O-N 3.36Å; E192-L225 HydrophobicContact CG-CD2 4.06Å; E192-S226 VanDerWaalsContact OE1-CB 3.25Å; E192-S226 WeakPolarHBondContact OE1-CB 3.5Å; E192-S226 PolarHBondContact OE1-N 2.86Å; E192-S226 PolarHBondContact OE1-OG 3.07Å; E192-T229 HydrophobicContact CG-CG2 4.16Å
193	T	95.1	Very high	93.3	Very high	29 Å²	29	39.6 Å²	39.6	18%	0.178	19%	0.19	C	C	.	.	H	α-helix	trans	-67.8	-40.6	176.5	-53.7	0	0	0	0	111.6	F160 T161 Y164 V188 K190 E191 R195 E196 A197	F160-T193 HydrophobicContact CD1-CG2 4.45Å; F160-T193 HydrophobicContact CE1-CG2 4.35Å; T161-T193 HydrophobicContact CG2-CG2 4.35Å; Y164-T193 HydrophobicContact CD1-CG2 4.1Å; Y164-T193 HydrophobicContact CE1-CG2 3.49Å; Y164-T193 VanDerWaalsContact CE1-CG2 3.49Å; V188-T193 HydrophobicContact CG1-CG2 4.17Å; K190-T193 PolarHBondContact O-N 3.5Å; E191-T193 PolarHBondContact O-N 3.29Å; E191-T193 VanDerWaalsContact O-N 3.16Å; T193-R195 VanDerWaalsContact C-N 3.33Å; T193-E196 PolarHBondContact O-N 2.85Å; T193-A197 WeakPolarHBondContact O-CB 3.41Å; T193-A197 PolarHBondContact O-N 2.95Å
194	V	95.1	Very high	93.3	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-64.8	-42.3	176.2	-175.9	0	0	0	0	110.2	F160 L181 L186 V188 E191 A197 A198	F160-V194 HydrophobicContact CE1-CG2 4.38Å; L181-V194 HydrophobicContact CD2-CG1 3.75Å; L186-V194 HydrophobicContact CD1-CG1 4.25Å; L186-V194 HydrophobicContact CD1-CG2 3.97Å; V188-V194 HydrophobicContact CB-CG2 4.46Å; V188-V194 HydrophobicContact CG1-CG2 4.11Å; V188-V194 HydrophobicContact CG2-CG2 3.84Å; E191-V194 WeakPolarHBondContact O-CB 3.49Å; E191-V194 PolarHBondContact O-N 2.73Å; V194-A197 PolarHBondContact O-N 2.91Å; V194-A198 WeakPolarHBondContact O-CB 3.4Å; V194-A198 PolarHBondContact O-N 3.13Å
195	R	90.9	Very high	93.2	Very high	69 Å²	69	45.5 Å²	45.5	26%	0.26	21%	0.212	S	C	.	.	H	α-helix	trans	-60	-47.9	173.9	179.7	-157.1	70.1	75.1	7.8	111.5	E191 E192 T193 A198 M199 I220 L225 W233	E191-R195 PolarHBondContact O-N 2.83Å; E192-R195 WeakPolarHBondContact O-CB 3.27Å; E192-R195 PolarHBondContact O-N 2.99Å; T193-R195 VanDerWaalsContact C-N 3.33Å; R195-A198 PolarHBondContact O-N 3.48Å; R195-M199 HydrophobicContact CG-CG 4.44Å; R195-M199 VanDerWaalsContact O-CG 3.31Å; R195-M199 WeakPolarHBondContact O-CG 3.41Å; R195-M199 PolarHBondContact O-N 2.99Å; R195-I220 HydrophobicContact CB-CD1 4.16Å; R195-I220 HydrophobicContact CB-CG2 4.22Å; R195-I220 HydrophobicContact CG-CD1 4.16Å; R195-L225 HydrophobicContact CB-CD2 4.49Å; R195-W233 HydrophobicContact CB-CZ3 4.12Å; R195-W233 VanDerWaalsContact CD-CE3 3.43Å; R195-W233 HydrophobicContact CG-CE3 3.98Å; R195-W233 HydrophobicContact CG-CH2 3.8Å; R195-W233 HydrophobicContact CG-CZ3 3.34Å
196	E	93.4	Very high	92.9	Very high	70 Å²	70	47 Å²	47	33%	0.327	22%	0.224	S	C	.	.	H	α-helix	trans	-58.3	-48.4	179	-173.4	-177.4	144.4	0	0	111.4	Y164 H165 E192 T193 A198 M199 L200	Y164-E196 HydrophobicContact CE2-CG 4.1Å; Y164-E196 PolarHBondContact OH-OE1 3.1Å; H165-E196 IonicContact CE1-OE1 3.72Å; E192-E196 WeakPolarHBondContact O-CB 3.43Å; E192-E196 PolarHBondContact O-N 3.36Å; T193-E196 PolarHBondContact O-N 2.85Å; E196-A198 VanDerWaalsContact C-N 3.33Å; E196-A198 PolarHBondContact O-N 2.75Å; E196-M199 PolarHBondContact O-N 2.84Å; E196-L200 HydrophobicContact CG-CD1 4.2Å; E196-L200 WeakPolarHBondContact O-CG 3.46Å; E196-L200 PolarHBondContact O-N 2.95Å
197	A	95.8	Very high	92.6	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-56.2	-46	175.2	0	0	0	0	0	112.6	F160 Y164 F169 T193 V194 M199 L200 W201	F160-A197 HydrophobicContact CE1-CB 4Å; F160-A197 HydrophobicContact CZ-CB 3.62Å; Y164-A197 HydrophobicContact CD2-CB 3.73Å; Y164-A197 HydrophobicContact CG-CB 3.76Å; F169-A197 HydrophobicContact CE1-CB 4.07Å; F169-A197 HydrophobicContact CZ-CB 4.2Å; T193-A197 WeakPolarHBondContact O-CB 3.41Å; T193-A197 PolarHBondContact O-N 2.95Å; V194-A197 PolarHBondContact O-N 2.91Å; A197-M199 VanDerWaalsContact C-N 3.34Å; A197-M199 PolarHBondContact O-N 2.85Å; A197-L200 PolarHBondContact O-N 2.83Å; A197-W201 PolarHBondContact O-N 3.42Å; A197-W201 VanDerWaalsContact O-N 3.09Å
198	A	92.9	Very high	92.5	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-62	-41.1	177.9	0	0	0	0	0	112.3	L181 V194 R195 E196 L202 V216 I220	L181-A198 HydrophobicContact CD1-CB 3.86Å; V194-A198 WeakPolarHBondContact O-CB 3.4Å; V194-A198 PolarHBondContact O-N 3.13Å; R195-A198 PolarHBondContact O-N 3.48Å; E196-A198 VanDerWaalsContact C-N 3.33Å; E196-A198 PolarHBondContact O-N 2.75Å; A198-L202 WeakPolarHBondContact O-CG 3.28Å; A198-L202 PolarHBondContact O-N 2.9Å; A198-V216 HydrophobicContact CB-CG1 3.8Å; A198-I220 HydrophobicContact CB-CD1 3.94Å
199	M	91.3	Very high	92.4	Very high	47 Å²	47	58.5 Å²	58.5	23%	0.232	28%	0.282	C	S	.	.	H	α-helix	trans	-69.3	-44.7	178.8	-69.6	-55.2	-55.3	0	0	112.1	R195 E196 A197 W201 L202 E203 L217	R195-M199 HydrophobicContact CG-CG 4.44Å; R195-M199 VanDerWaalsContact O-CG 3.31Å; R195-M199 WeakPolarHBondContact O-CG 3.41Å; R195-M199 PolarHBondContact O-N 2.99Å; E196-M199 PolarHBondContact O-N 2.84Å; A197-M199 VanDerWaalsContact C-N 3.34Å; A197-M199 PolarHBondContact O-N 2.85Å; M199-W201 VanDerWaalsContact C-N 3.26Å; M199-W201 PolarHBondContact O-N 2.68Å; M199-L202 PolarHBondContact O-N 2.95Å; M199-L202 VanDerWaalsContact O-N 3.09Å; M199-L202 HydrophobicContact SD-CD1 4.13Å; M199-E203 WeakPolarHBondContact O-CB 3.44Å; M199-E203 VanDerWaalsContact O-CG 3.3Å; M199-E203 WeakPolarHBondContact O-CG 3.42Å; M199-E203 PolarHBondContact O-N 2.91Å; M199-L217 HydrophobicContact SD-CD2 4.06Å
200	L	94	Very high	92.1	Very high	54 Å²	54	56.5 Å²	56.5	28%	0.283	28%	0.281	S	S	.	.	H	α-helix	trans	-58.5	-41	176.1	-70.6	171.6	0	0	0	111.5	Y164 M170 E196 A197 E203 Y204	Y164-L200 HydrophobicContact CD2-CD1 3.98Å; Y164-L200 HydrophobicContact CE2-CD1 3.87Å; M170-L200 HydrophobicContact CE-CB 3.47Å; M170-L200 VanDerWaalsContact CE-CB 3.47Å; M170-L200 HydrophobicContact CE-CD1 4.02Å; M170-L200 HydrophobicContact CE-CG 4.31Å; M170-L200 HydrophobicContact SD-CB 3.95Å; E196-L200 HydrophobicContact CG-CD1 4.2Å; E196-L200 WeakPolarHBondContact O-CG 3.46Å; E196-L200 PolarHBondContact O-N 2.95Å; A197-L200 PolarHBondContact O-N 2.83Å; L200-E203 PolarHBondContact O-N 2.84Å; L200-Y204 PolarHBondContact O-N 3.31Å
201	W	96.1	Very high	91.9	Very high	4 Å²	4	56.8 Å²	56.8	2%	0.015	29%	0.285	C	S	.	.	H	α-helix	trans	-64	-44.4	174.3	-175.1	97.3	0	0	0	111.7	M170 L172 H174 L177 A197 M199 E203 Y204 R209 Y212 V216	M170-W201 HydrophobicContact SD-CB 4.47Å; L172-W201 PolarHBondContact O-NE1 3.13Å; H174-W201 HydrophobicContact CB-CH2 4.33Å; L177-W201 HydrophobicContact CD1-CB 4.37Å; L177-W201 HydrophobicContact CD1-CD2 4.5Å; L177-W201 HydrophobicContact CD1-CG 4.05Å; L177-W201 HydrophobicContact CD2-CB 4.37Å; L177-W201 HydrophobicContact CD2-CD2 3.38Å; L177-W201 HydrophobicContact CD2-CE3 3.49Å; L177-W201 VanDerWaalsContact CD2-CE3 3.49Å; L177-W201 HydrophobicContact CD2-CG 3.77Å; L177-W201 HydrophobicContact CD2-CH2 4.21Å; L177-W201 HydrophobicContact CD2-CZ2 4.11Å; L177-W201 HydrophobicContact CD2-CZ3 3.92Å; L177-W201 HydrophobicContact CG-CD2 4.46Å; A197-W201 PolarHBondContact O-N 3.42Å; A197-W201 VanDerWaalsContact O-N 3.09Å; M199-W201 VanDerWaalsContact C-N 3.26Å; M199-W201 PolarHBondContact O-N 2.68Å; W201-E203 PolarHBondContact O-N 3.34Å; W201-Y204 PolarHBondContact O-N 3.47Å; W201-R209 HydrophobicContact CE3-CG 4.39Å; W201-R209 HydrophobicContact CH2-CB 4.37Å; W201-R209 HydrophobicContact CH2-CG 3.8Å; W201-R209 HydrophobicContact CZ2-CG 4.39Å; W201-R209 HydrophobicContact CZ3-CB 3.96Å; W201-R209 HydrophobicContact CZ3-CG 3.8Å; W201-R209 WeakPolarHBondContact O-CD 3.33Å; W201-R209 PolarHBondContact O-NH1 3Å; W201-Y212 HydrophobicContact CH2-CD2 4.16Å; W201-V216 HydrophobicContact CE3-CG2 4.42Å; W201-V216 HydrophobicContact CZ3-CG2 4.02Å
202	L	91	Very high	91.8	Very high	12 Å²	12	60.6 Å²	60.6	6%	0.063	30%	0.3	C	S	.	.	H	α-helix	trans	-62.5	-42.3	177.7	-73.6	164.1	0	0	0	112.2	A198 M199 Y204 N205 T206 R209 L213 V216 L217	A198-L202 WeakPolarHBondContact O-CG 3.28Å; A198-L202 PolarHBondContact O-N 2.9Å; M199-L202 PolarHBondContact O-N 2.95Å; M199-L202 VanDerWaalsContact O-N 3.09Å; M199-L202 HydrophobicContact SD-CD1 4.13Å; L202-Y204 VanDerWaalsContact C-N 3.34Å; L202-Y204 PolarHBondContact O-N 3.17Å; L202-N205 CarbonylContact O-C 3.56Å; L202-T206 PolarHBondContact O-N 3.18Å; L202-R209 HydrophobicContact CD2-CB 4.31Å; L202-L213 HydrophobicContact CD1-CD1 3.64Å; L202-L213 HydrophobicContact CD2-CD1 4.26Å; L202-V216 HydrophobicContact CD1-CB 4.4Å; L202-V216 HydrophobicContact CD1-CG1 4Å; L202-V216 HydrophobicContact CD2-CB 4.4Å; L202-V216 HydrophobicContact CD2-CG2 4.34Å; L202-V216 HydrophobicContact CG-CG1 4.23Å; L202-L217 HydrophobicContact CD1-CD2 4.11Å
203	E	91.2	Very high	91.5	Very high	118 Å²	118	60.4 Å²	60.4	55%	0.551	30%	0.299	S	S	*	.	H	α-helix	trans	-71.7	-24.9	-177.3	-72.1	171.7	-168.9	0	0	113.3	M199 L200 W201 N205 T206	M199-E203 WeakPolarHBondContact O-CB 3.44Å; M199-E203 VanDerWaalsContact O-CG 3.3Å; M199-E203 WeakPolarHBondContact O-CG 3.42Å; M199-E203 PolarHBondContact O-N 2.91Å; L200-E203 PolarHBondContact O-N 2.84Å; W201-E203 PolarHBondContact O-N 3.34Å; E203-N205 VanDerWaalsContact C-N 3.27Å; E203-N205 PolarHBondContact O-N 3.45Å; E203-T206 PolarHBondContact O-OG1 3.49Å
204	Y	92.6	Very high	91.1	Very high	121 Å²	121	60.5 Å²	60.5	48%	0.475	30%	0.301	S	S	.	.	H	α-helix	trans	-62.2	-31.5	178.4	-174.2	-97	0	0	0	113.4	M170 L200 W201 L202	M170-Y204 HydrophobicContact CB-CD1 4.06Å; M170-Y204 HydrophobicContact CB-CD2 3.65Å; M170-Y204 HydrophobicContact CB-CE1 4.3Å; M170-Y204 HydrophobicContact CB-CE2 3.92Å; M170-Y204 HydrophobicContact CB-CG 3.73Å; M170-Y204 HydrophobicContact CG-CD2 4Å; M170-Y204 HydrophobicContact CG-CE2 4.43Å; M170-Y204 HydrophobicContact CG-CG 4.36Å; L200-Y204 PolarHBondContact O-N 3.31Å; W201-Y204 PolarHBondContact O-N 3.47Å; L202-Y204 VanDerWaalsContact C-N 3.34Å; L202-Y204 PolarHBondContact O-N 3.17Å
205	N	91.1	Very high	90.8	Very high	69 Å²	69	62.2 Å²	62.2	37%	0.369	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-147.7	71.2	174.5	-170.5	-31.2	0	0	0	110.8	L202 E203 E207 S208 R209	L202-N205 CarbonylContact O-C 3.56Å; E203-N205 VanDerWaalsContact C-N 3.27Å; E203-N205 PolarHBondContact O-N 3.45Å; N205-E207 VanDerWaalsContact C-N 3.26Å; N205-E207 PolarHBondContact O-N 3.18Å; N205-S208 PolarHBondContact ND2-OG 2.95Å; N205-S208 PolarHBondContact O-N 2.85Å; N205-S208 WeakPolarHBondContact OD1-CB 3.42Å; N205-S208 PolarHBondContact OD1-N 3.39Å; N205-S208 PolarHBondContact OD1-OG 2.98Å; N205-R209 HydrophobicContact CB-CG 4.26Å; N205-R209 WeakPolarHBondContact O-CB 3.33Å; N205-R209 VanDerWaalsContact O-CG 3.26Å; N205-R209 WeakPolarHBondContact O-CG 3.39Å; N205-R209 PolarHBondContact O-N 2.99Å
206	T	87.5	Confident	90.8	Very high	93 Å²	93	59 Å²	59	57%	0.571	30%	0.301	S	S	*	.	H	α-helix	trans	-55.3	-38.3	-174.1	-47.8	0	0	0	0	113.3	L202 E203 S210	L202-T206 PolarHBondContact O-N 3.18Å; E203-T206 PolarHBondContact O-OG1 3.49Å; T206-S210 VanDerWaalsContact O-CB 3.32Å; T206-S210 WeakPolarHBondContact O-CB 3.24Å; T206-S210 PolarHBondContact O-N 2.78Å; T206-S210 VanDerWaalsContact O-N 3.07Å
207	E	89.2	Confident	90.5	Very high	177 Å²	177	55.8 Å²	55.8	83%	0.827	29%	0.286	S	S	*	.	H	α-helix	trans	-63.2	-54.6	-177.1	-64.9	-175.4	175.1	0	0	111.7	N205 S210	N205-E207 VanDerWaalsContact C-N 3.26Å; N205-E207 PolarHBondContact O-N 3.18Å; E207-S210 PolarHBondContact O-OG 2.79Å
208	S	90.4	Very high	90.1	Very high	53 Å²	53	57.3 Å²	57.3	37%	0.371	30%	0.297	S	S	.	.	H	α-helix	trans	-78.9	-25.7	-177.8	67.8	0	0	0	0	113.7	N205 Q211	N205-S208 PolarHBondContact ND2-OG 2.95Å; N205-S208 PolarHBondContact O-N 2.85Å; N205-S208 WeakPolarHBondContact OD1-CB 3.42Å; N205-S208 PolarHBondContact OD1-N 3.39Å; N205-S208 PolarHBondContact OD1-OG 2.98Å; S208-Q211 WeakPolarHBondContact O-CG 3.28Å; S208-Q211 PolarHBondContact O-NE2 3.35Å
209	R	91.5	Very high	90	Very high	25 Å²	25	59.5 Å²	59.5	9%	0.094	31%	0.307	C	S	.	.	H	α-helix	trans	-91.9	-13	-175	-63.9	177.1	171	178.1	-3.4	114	M170 W201 L202 N205 Q211 Y212 L213	M170-R209 VanDerWaalsContact O-CZ 3.23Å; M170-R209 PolarHBondContact O-NH1 3.4Å; M170-R209 PolarHBondContact O-NH2 2.88Å; W201-R209 HydrophobicContact CE3-CG 4.39Å; W201-R209 HydrophobicContact CH2-CB 4.37Å; W201-R209 HydrophobicContact CH2-CG 3.8Å; W201-R209 HydrophobicContact CZ2-CG 4.39Å; W201-R209 HydrophobicContact CZ3-CB 3.96Å; W201-R209 HydrophobicContact CZ3-CG 3.8Å; W201-R209 WeakPolarHBondContact O-CD 3.33Å; W201-R209 PolarHBondContact O-NH1 3Å; L202-R209 HydrophobicContact CD2-CB 4.31Å; N205-R209 HydrophobicContact CB-CG 4.26Å; N205-R209 WeakPolarHBondContact O-CB 3.33Å; N205-R209 VanDerWaalsContact O-CG 3.26Å; N205-R209 WeakPolarHBondContact O-CG 3.39Å; N205-R209 PolarHBondContact O-N 2.99Å; R209-Q211 PolarHBondContact O-N 3.32Å; R209-Q211 VanDerWaalsContact O-N 3.14Å; R209-Y212 PolarHBondContact O-N 3.42Å; R209-L213 PolarHBondContact O-N 3.4Å
210	S	86.7	Confident	89.9	Confident	79 Å²	79	57.3 Å²	57.3	55%	0.552	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-49.2	-38.9	174.7	59.2	0	0	0	0	113.3	T206 E207 Y212 L213	T206-S210 VanDerWaalsContact O-CB 3.32Å; T206-S210 WeakPolarHBondContact O-CB 3.24Å; T206-S210 PolarHBondContact O-N 2.78Å; T206-S210 VanDerWaalsContact O-N 3.07Å; E207-S210 PolarHBondContact O-OG 2.79Å; S210-Y212 PolarHBondContact O-N 2.87Å; S210-L213 VanDerWaalsContact O-CB 3.27Å; S210-L213 WeakPolarHBondContact O-CB 3.47Å; S210-L213 PolarHBondContact O-N 3.18Å
211	Q	89	Confident	89.6	Confident	137 Å²	137	56.5 Å²	56.5	64%	0.64	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-63.3	-26.4	176.7	68.5	-173.1	-36.1	0	0	114	S208 R209	S208-Q211 WeakPolarHBondContact O-CG 3.28Å; S208-Q211 PolarHBondContact O-NE2 3.35Å; R209-Q211 PolarHBondContact O-N 3.32Å; R209-Q211 VanDerWaalsContact O-N 3.14Å
212	Y	90.7	Very high	88.8	Confident	80 Å²	80	56.9 Å²	56.9	31%	0.314	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-91.9	-6.5	-178.4	-58.7	-58.7	0	0	0	113.2	H174 W201 R209 S210 S214 S215 V216	H174-Y212 HydrophobicContact CB-CD1 4.23Å; H174-Y212 HydrophobicContact CB-CD2 4.29Å; H174-Y212 HydrophobicContact CB-CE1 4.16Å; H174-Y212 HydrophobicContact CB-CE2 4.24Å; H174-Y212 HydrophobicContact CB-CG 4.3Å; H174-Y212 AromaticContact CD2-CD1 3.48Å; H174-Y212 VanDerWaalsContact CD2-CD1 3.48Å; H174-Y212 WeakPolarHBondContact CD2-CD1 3.47Å; H174-Y212 AromaticContact CD2-CG 3.56Å; H174-Y212 AromaticContact CE1-CD1 3.74Å; H174-Y212 AromaticContact CG-CD1 3.51Å; H174-Y212 AromaticContact CG-CE1 3.73Å; H174-Y212 AromaticContact CG-CG 3.84Å; H174-Y212 AromaticContact ND1-CD1 3.68Å; H174-Y212 AromaticContact ND1-CE1 3.69Å; H174-Y212 AromaticContact NE2-CD1 3.6Å; W201-Y212 HydrophobicContact CH2-CD2 4.16Å; R209-Y212 PolarHBondContact O-N 3.42Å; S210-Y212 PolarHBondContact O-N 2.87Å; Y212-S214 VanDerWaalsContact C-N 3.33Å; Y212-S214 PolarHBondContact O-N 3.01Å; Y212-S215 PolarHBondContact O-N 3.38Å; Y212-S215 PolarHBondContact O-OG 3.12Å; Y212-V216 WeakPolarHBondContact O-CG2 3.35Å; Y212-V216 PolarHBondContact O-N 3.12Å
213	L	87	Confident	88.3	Confident	32 Å²	32	59.7 Å²	59.7	17%	0.168	31%	0.307	C	S	.	.	H	α-helix	trans	-46.8	-52.3	-175.1	-175.9	66.9	0	0	0	112.5	L202 R209 S210 S215 V216 L217 V245	L202-L213 HydrophobicContact CD1-CD1 3.64Å; L202-L213 HydrophobicContact CD2-CD1 4.26Å; R209-L213 PolarHBondContact O-N 3.4Å; S210-L213 VanDerWaalsContact O-CB 3.27Å; S210-L213 WeakPolarHBondContact O-CB 3.47Å; S210-L213 PolarHBondContact O-N 3.18Å; L213-S215 PolarHBondContact O-N 2.97Å; L213-V216 PolarHBondContact O-N 3.02Å; L213-L217 HydrophobicContact CD1-CD1 3.79Å; L213-L217 HydrophobicContact CD1-CG 4.03Å; L213-L217 HydrophobicContact CG-CD1 3.99Å; L213-L217 HydrophobicContact CG-CG 4.4Å; L213-L217 WeakPolarHBondContact O-CB 3.41Å; L213-L217 VanDerWaalsContact O-CG 3.25Å; L213-L217 WeakPolarHBondContact O-CG 3.34Å; L213-L217 PolarHBondContact O-N 2.84Å; L213-V245 HydrophobicContact CD2-CG2 4.31Å
214	S	85.8	Confident	88.1	Confident	31 Å²	31	54.9 Å²	54.9	22%	0.217	29%	0.287	C	S	.	.	H	α-helix	trans	-60	-44.3	-179.2	-168.2	0	0	0	0	112.6	Y212 S218	Y212-S214 VanDerWaalsContact C-N 3.33Å; Y212-S214 PolarHBondContact O-N 3.01Å; S214-S218 WeakPolarHBondContact O-CB 3.48Å; S214-S218 PolarHBondContact O-N 2.82Å; S214-S218 PolarHBondContact O-OG 3.2Å
215	S	89.7	Confident	87.7	Confident	36 Å²	36	49.5 Å²	49.5	25%	0.252	27%	0.267	S	S	.	.	H	α-helix	trans	-68	-40.4	-177.8	67.2	0	0	0	0	112.5	H174 I178 Y212 L213 S218 Q219	H174-S215 PolarHBondContact NE2-OG 3.02Å; I178-S215 WeakPolarHBondContact CD1-O 3.22Å; Y212-S215 PolarHBondContact O-N 3.38Å; Y212-S215 PolarHBondContact O-OG 3.12Å; L213-S215 PolarHBondContact O-N 2.97Å; S215-S218 PolarHBondContact O-OG 3.09Å; S215-Q219 PolarHBondContact O-NE2 3.05Å
216	V	90.4	Very high	87.5	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-68.7	-49.6	178.5	174	0	0	0	0	110.2	L177 I178 L181 A198 W201 L202 Y212 L213 S218 Q219	L177-V216 HydrophobicContact CD2-CG1 4.21Å; L177-V216 HydrophobicContact CD2-CG2 3.89Å; I178-V216 HydrophobicContact CD1-CG2 4.17Å; L181-V216 HydrophobicContact CD1-CG1 4.08Å; A198-V216 HydrophobicContact CB-CG1 3.8Å; W201-V216 HydrophobicContact CE3-CG2 4.42Å; W201-V216 HydrophobicContact CZ3-CG2 4.02Å; L202-V216 HydrophobicContact CD1-CB 4.4Å; L202-V216 HydrophobicContact CD1-CG1 4Å; L202-V216 HydrophobicContact CD2-CB 4.4Å; L202-V216 HydrophobicContact CD2-CG2 4.34Å; L202-V216 HydrophobicContact CG-CG1 4.23Å; Y212-V216 WeakPolarHBondContact O-CG2 3.35Å; Y212-V216 PolarHBondContact O-N 3.12Å; L213-V216 PolarHBondContact O-N 3.02Å; V216-S218 PolarHBondContact O-N 2.97Å; V216-Q219 WeakPolarHBondContact O-CB 3.33Å; V216-Q219 PolarHBondContact O-N 3.34Å
217	L	87.3	Confident	87.4	Confident	4 Å²	4	49.9 Å²	49.9	2%	0.021	27%	0.265	C	S	.	.	H	α-helix	trans	-64.5	-28.9	-179.8	-63.3	-173.4	0	0	0	112.4	M199 L202 L213 Q219 I220 W233 V245	M199-L217 HydrophobicContact SD-CD2 4.06Å; L202-L217 HydrophobicContact CD1-CD2 4.11Å; L213-L217 HydrophobicContact CD1-CD1 3.79Å; L213-L217 HydrophobicContact CD1-CG 4.03Å; L213-L217 HydrophobicContact CG-CD1 3.99Å; L213-L217 HydrophobicContact CG-CG 4.4Å; L213-L217 WeakPolarHBondContact O-CB 3.41Å; L213-L217 VanDerWaalsContact O-CG 3.25Å; L213-L217 WeakPolarHBondContact O-CG 3.34Å; L213-L217 PolarHBondContact O-N 2.84Å; L217-Q219 PolarHBondContact O-N 2.68Å; L217-I220 HydrophobicContact CD2-CD1 3.95Å; L217-I220 PolarHBondContact O-N 3.09Å; L217-W233 HydrophobicContact CD1-CZ2 4.38Å; L217-W233 HydrophobicContact CD2-CZ2 3.84Å; L217-W233 HydrophobicContact CG-CZ2 4.45Å; L217-V245 HydrophobicContact CD1-CG1 4.15Å; L217-V245 HydrophobicContact CD1-CG2 3.75Å
218	S	87.5	Confident	87.2	Confident	32 Å²	32	46.6 Å²	46.6	22%	0.224	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-15.3	175.7	73.4	0	0	0	0	114.4	S214 S215 V216 I220 S252	S214-S218 WeakPolarHBondContact O-CB 3.48Å; S214-S218 PolarHBondContact O-N 2.82Å; S214-S218 PolarHBondContact O-OG 3.2Å; S215-S218 PolarHBondContact O-OG 3.09Å; V216-S218 PolarHBondContact O-N 2.97Å; S218-I220 VanDerWaalsContact C-N 3.32Å; S218-S252 WeakPolarHBondContact O-CB 3.45Å
219	Q	90.1	Very high	86.8	Confident	45 Å²	45	45.6 Å²	45.6	21%	0.21	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-9.5	176.2	-54	-47.5	-44.5	0	0	113.7	I178 L181 S182 S215 V216 L217 R260	I178-Q219 HydrophobicContact CD1-CG 3.59Å; I178-Q219 HydrophobicContact CG2-CG 4.31Å; L181-Q219 HydrophobicContact CB-CB 3.79Å; L181-Q219 HydrophobicContact CB-CG 4.24Å; S182-Q219 VanDerWaalsContact CB-OE1 3.23Å; S215-Q219 PolarHBondContact O-NE2 3.05Å; V216-Q219 WeakPolarHBondContact O-CB 3.33Å; V216-Q219 PolarHBondContact O-N 3.34Å; L217-Q219 PolarHBondContact O-N 2.68Å; Q219-R260 PolarHBondContact O-NH2 3.37Å
220	I	88.9	Confident	86.2	Confident	1 Å²	1	46.8 Å²	46.8	1%	0.005	26%	0.255	C	S	.	.	S	Bend	trans	-90.1	129	-176.3	-58.3	166.3	0	0	0	109.5	E191 R195 A198 L217 S218 I222 L225 W233	E191-I220 HydrophobicContact CG-CG2 4.11Å; R195-I220 HydrophobicContact CB-CD1 4.16Å; R195-I220 HydrophobicContact CB-CG2 4.22Å; R195-I220 HydrophobicContact CG-CD1 4.16Å; A198-I220 HydrophobicContact CB-CD1 3.94Å; L217-I220 HydrophobicContact CD2-CD1 3.95Å; L217-I220 PolarHBondContact O-N 3.09Å; S218-I220 VanDerWaalsContact C-N 3.32Å; I220-I222 PolarHBondContact O-N 3.46Å; I220-I222 VanDerWaalsContact O-N 3.15Å; I220-L225 HydrophobicContact CG2-CD1 4.25Å; I220-W233 HydrophobicContact CB-CH2 3.96Å; I220-W233 HydrophobicContact CD1-CH2 3.41Å; I220-W233 VanDerWaalsContact CD1-CH2 3.41Å; I220-W233 HydrophobicContact CD1-CZ2 4.12Å; I220-W233 HydrophobicContact CD1-CZ3 4.31Å; I220-W233 HydrophobicContact CG1-CH2 4.26Å; I220-W233 HydrophobicContact CG2-CH2 3.7Å; I220-W233 HydrophobicContact CG2-CZ3 3.87Å
221	R	87.7	Confident	85.8	Confident	38 Å²	38	49.6 Å²	49.6	14%	0.143	25%	0.254	C	S	.	.			trans	-83.6	89.6	-178.2	-60.5	173.9	-171.1	-172.5	4.2	110.4	D184 E191 D223 A224 K258 P259 R260	D184-R221 IonicContact OD1-CZ 3.76Å; D184-R221 VanDerWaalsContact OD1-CZ 3.28Å; D184-R221 IonicContact OD1-NH1 2.69Å; D184-R221 PolarHBondContact OD1-NH1 2.68Å; D184-R221 IonicContact OD1-NH2 2.99Å; D184-R221 PolarHBondContact OD1-NH2 3.18Å; E191-R221 HydrophobicContact CG-CB 4.07Å; E191-R221 PolarHBondContact OE1-N 3.46Å; R221-D223 PolarHBondContact O-N 2.86Å; R221-D223 VanDerWaalsContact O-N 3.16Å; R221-A224 HydrophobicContact CB-CB 4.03Å; R221-A224 WeakPolarHBondContact O-CA 3.4Å; R221-A224 WeakPolarHBondContact O-CB 3.25Å; R221-A224 PolarHBondContact O-N 3.14Å; R221-K258 WeakPolarHBondContact CD-O 3.3Å; R221-K258 PolarHBondContact NH1-O 3.07Å; R221-P259 VanDerWaalsContact NH1-C 3.3Å; R221-P259 PolarHBondContact NH1-O 3.47Å; R221-P259 VanDerWaalsContact NH1-O 3.12Å; R221-R260 VanDerWaalsContact CZ-CD 3.41Å; R221-R260 VanDerWaalsContact CZ-NE 3.3Å; R221-R260 VanDerWaalsContact NE-NE 3.15Å; R221-R260 VanDerWaalsContact NH2-CZ 3.35Å
222	I	80.1	Confident	85.2	Confident	12 Å²	12	45.8 Å²	45.8	6%	0.062	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-53	-41.9	-176.5	-54.7	166.6	0	0	0	112.2	I220 A224 L225 Q230 L249 S252	I220-I222 PolarHBondContact O-N 3.46Å; I220-I222 VanDerWaalsContact O-N 3.15Å; I222-A224 PolarHBondContact O-N 2.97Å; I222-A224 VanDerWaalsContact O-N 3.07Å; I222-L225 WeakPolarHBondContact O-CB 3.46Å; I222-L225 PolarHBondContact O-N 2.94Å; I222-Q230 HydrophobicContact CG2-CG 4.05Å; I222-Q230 PolarHBondContact O-NE2 3.09Å; I222-L249 HydrophobicContact CD1-CB 3.46Å; I222-L249 VanDerWaalsContact CD1-CB 3.46Å; I222-L249 HydrophobicContact CD1-CD2 3.23Å; I222-L249 HydrophobicContact CD1-CG 3.83Å; I222-L249 WeakPolarHBondContact CD1-O 3.43Å; I222-L249 HydrophobicContact CG1-CD2 3.61Å; I222-S252 WeakPolarHBondContact CD1-OG 3.29Å
223	D	80.7	Confident	84.4	Confident	71 Å²	71	43.5 Å²	43.5	38%	0.38	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-62.3	-17.1	-179.3	-57.3	-39.1	0	0	0	113.2	R221 P254 F257	R221-D223 PolarHBondContact O-N 2.86Å; R221-D223 VanDerWaalsContact O-N 3.16Å; D223-P254 VanDerWaalsContact OD2-CD 3.24Å; D223-P254 WeakPolarHBondContact OD2-CD 3.21Å; D223-F257 HydrophobicContact CB-CD2 4.19Å
224	A	85.9	Confident	83.6	Confident	16 Å²	16	46.7 Å²	46.7	13%	0.132	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-94.8	-6.4	175.5	0	0	0	0	0	114.4	E191 R221 I222 F257 M263	E191-A224 HydrophobicContact CB-CB 3.69Å; E191-A224 HydrophobicContact CG-CB 4.12Å; R221-A224 HydrophobicContact CB-CB 4.03Å; R221-A224 WeakPolarHBondContact O-CA 3.4Å; R221-A224 WeakPolarHBondContact O-CB 3.25Å; R221-A224 PolarHBondContact O-N 3.14Å; I222-A224 PolarHBondContact O-N 2.97Å; I222-A224 VanDerWaalsContact O-N 3.07Å; A224-F257 HydrophobicContact CB-CD2 4.44Å; A224-F257 HydrophobicContact CB-CE2 3.58Å; A224-F257 HydrophobicContact CB-CZ 4.3Å; A224-M263 HydrophobicContact CB-CE 4.39Å
225	L	85.3	Confident	82.7	Confident	9 Å²	9	53 Å²	53	5%	0.047	28%	0.275	C	S	.	.	S	Bend	trans	-81.1	147.7	173.1	-60.3	168.7	0	0	0	110.4	E191 E192 R195 I220 I222 T229 Q230 W233	E191-L225 HydrophobicContact CB-CD2 4.03Å; E191-L225 HydrophobicContact CG-CD2 4.06Å; E191-L225 HydrophobicContact CG-CG 4.44Å; E192-L225 HydrophobicContact CG-CD2 4.06Å; R195-L225 HydrophobicContact CB-CD2 4.49Å; I220-L225 HydrophobicContact CG2-CD1 4.25Å; I222-L225 WeakPolarHBondContact O-CB 3.46Å; I222-L225 PolarHBondContact O-N 2.94Å; L225-T229 HydrophobicContact CD2-CG2 4.33Å; L225-Q230 HydrophobicContact CB-CG 3.89Å; L225-Q230 PolarHBondContact O-NE2 2.85Å; L225-Q230 VanDerWaalsContact O-NE2 3.07Å; L225-W233 HydrophobicContact CD1-CE3 3.66Å; L225-W233 HydrophobicContact CD1-CH2 4.43Å; L225-W233 HydrophobicContact CD1-CZ3 3.37Å
226	S	86.8	Confident	81.5	Confident	51 Å²	51	54.2 Å²	54.2	36%	0.357	29%	0.294	S	S	.	.			trans	-60.9	148.5	168.9	58.5	0	0	0	0	112.3	E192 V228 T229 Q230	E192-S226 VanDerWaalsContact OE1-CB 3.25Å; E192-S226 WeakPolarHBondContact OE1-CB 3.5Å; E192-S226 PolarHBondContact OE1-N 2.86Å; E192-S226 PolarHBondContact OE1-OG 3.07Å; S226-V228 PolarHBondContact O-N 3.39Å; S226-T229 PolarHBondContact O-N 3.43Å; S226-T229 WeakPolarHBondContact OG-CB 3.17Å; S226-T229 PolarHBondContact OG-OG1 3.01Å; S226-Q230 WeakPolarHBondContact O-CG 3.18Å; S226-Q230 PolarHBondContact O-N 2.99Å
227	E	84.2	Confident	80.1	Confident	119 Å²	119	55.4 Å²	55.4	56%	0.556	30%	0.3	S	S	*	.	H	α-helix	trans	-57	-34.9	-179.1	-166.3	-174	-171.2	0	0	112.5	Q230 R231	E227-Q230 PolarHBondContact O-N 3.46Å; E227-R231 VanDerWaalsContact CD-NH2 3.26Å; E227-R231 WeakPolarHBondContact O-CG 3.15Å; E227-R231 PolarHBondContact O-N 3.48Å; E227-R231 IonicContact OE1-CZ 2.62Å; E227-R231 IonicContact OE1-NE 3.62Å; E227-R231 IonicContact OE1-NH2 3.78Å; E227-R231 PolarHBondContact OE1-NH2 3.46Å; E227-R231 IonicContact OE2-NH2 3.38Å
228	V	85.6	Confident	78.6	Confident	108 Å²	108	58.2 Å²	58.2	66%	0.655	32%	0.319	S	S	*	.	H	α-helix	trans	-63.6	-48.8	176.1	179.4	0	0	0	0	110.7	S226 Q230 R231 A232	S226-V228 PolarHBondContact O-N 3.39Å; V228-Q230 VanDerWaalsContact C-N 3.34Å; V228-Q230 PolarHBondContact O-N 3.35Å; V228-R231 PolarHBondContact O-N 3.24Å; V228-A232 WeakPolarHBondContact O-CB 3.48Å; V228-A232 PolarHBondContact O-N 2.8Å
229	T	81.5	Confident	77.1	Confident	32 Å²	32	61.9 Å²	61.9	20%	0.196	34%	0.342	C	S	.	.	H	α-helix	trans	-64.1	-40.9	178.6	-61.3	0	0	0	0	111.1	E192 L225 S226 R231 A232 W233	E192-T229 HydrophobicContact CG-CG2 4.16Å; L225-T229 HydrophobicContact CD2-CG2 4.33Å; S226-T229 PolarHBondContact O-N 3.43Å; S226-T229 WeakPolarHBondContact OG-CB 3.17Å; S226-T229 PolarHBondContact OG-OG1 3.01Å; T229-R231 PolarHBondContact O-N 2.86Å; T229-A232 PolarHBondContact O-N 2.93Å; T229-W233 VanDerWaalsContact O-CB 3.31Å; T229-W233 WeakPolarHBondContact O-CB 3.26Å; T229-W233 PolarHBondContact O-N 3.11Å
230	Q	79.6	Confident	75.6	Confident	50 Å²	50	66.8 Å²	66.8	23%	0.234	37%	0.369	C	S	.	.	H	α-helix	trans	-57.1	-50.8	175	-67.8	179.6	12.6	0	0	111	I222 L225 S226 E227 V228 A232 W233 F234	I222-Q230 HydrophobicContact CG2-CG 4.05Å; I222-Q230 PolarHBondContact O-NE2 3.09Å; L225-Q230 HydrophobicContact CB-CG 3.89Å; L225-Q230 PolarHBondContact O-NE2 2.85Å; L225-Q230 VanDerWaalsContact O-NE2 3.07Å; S226-Q230 WeakPolarHBondContact O-CG 3.18Å; S226-Q230 PolarHBondContact O-N 2.99Å; E227-Q230 PolarHBondContact O-N 3.46Å; V228-Q230 VanDerWaalsContact C-N 3.34Å; V228-Q230 PolarHBondContact O-N 3.35Å; Q230-A232 PolarHBondContact O-N 3.21Å; Q230-W233 WeakPolarHBondContact O-CB 3.39Å; Q230-W233 PolarHBondContact O-N 3.08Å; Q230-F234 HydrophobicContact CB-CE2 4.38Å; Q230-F234 WeakPolarHBondContact O-CD2 3.31Å; Q230-F234 PolarHBondContact O-N 3.4Å
231	R	77.1	Confident	74	Confident	138 Å²	138	69.4 Å²	69.4	52%	0.521	38%	0.383	S	S	.	.	H	α-helix	trans	-60.2	-47.1	179	-73.5	175.1	-176.9	162.3	3.1	112.6	E227 V228 T229 W233 F234 Q235	E227-R231 VanDerWaalsContact CD-NH2 3.26Å; E227-R231 WeakPolarHBondContact O-CG 3.15Å; E227-R231 PolarHBondContact O-N 3.48Å; E227-R231 IonicContact OE1-CZ 2.62Å; E227-R231 IonicContact OE1-NE 3.62Å; E227-R231 IonicContact OE1-NH2 3.78Å; E227-R231 PolarHBondContact OE1-NH2 3.46Å; E227-R231 IonicContact OE2-NH2 3.38Å; V228-R231 PolarHBondContact O-N 3.24Å; T229-R231 PolarHBondContact O-N 2.86Å; R231-W233 VanDerWaalsContact C-N 3.26Å; R231-W233 PolarHBondContact O-N 2.73Å; R231-F234 PolarHBondContact O-N 3.45Å; R231-Q235 WeakPolarHBondContact O-CG 3.45Å; R231-Q235 PolarHBondContact O-N 2.89Å; R231-Q235 VanDerWaalsContact O-N 3.09Å
232	A	77.8	Confident	72.6	Confident	56 Å²	56	72.8 Å²	72.8	46%	0.463	40%	0.399	S	S	.	.	H	α-helix	trans	-59.9	-40.6	178.5	0	0	0	0	0	111.2	V228 T229 Q230 Q235 G236	V228-A232 WeakPolarHBondContact O-CB 3.48Å; V228-A232 PolarHBondContact O-N 2.8Å; T229-A232 PolarHBondContact O-N 2.93Å; Q230-A232 PolarHBondContact O-N 3.21Å; A232-Q235 PolarHBondContact O-N 2.73Å; A232-G236 PolarHBondContact O-N 2.9Å
233	W	72.5	Confident	71.7	Confident	32 Å²	32	76.2 Å²	76.2	12%	0.121	42%	0.424	C	S	.	.	H	α-helix	trans	-61.7	-49.4	176.2	-164.3	-32.3	0	0	0	111.5	R195 L217 I220 L225 T229 Q230 R231 Q235 G236 L237 L249	R195-W233 HydrophobicContact CB-CZ3 4.12Å; R195-W233 VanDerWaalsContact CD-CE3 3.43Å; R195-W233 HydrophobicContact CG-CE3 3.98Å; R195-W233 HydrophobicContact CG-CH2 3.8Å; R195-W233 HydrophobicContact CG-CZ3 3.34Å; L217-W233 HydrophobicContact CD1-CZ2 4.38Å; L217-W233 HydrophobicContact CD2-CZ2 3.84Å; L217-W233 HydrophobicContact CG-CZ2 4.45Å; I220-W233 HydrophobicContact CB-CH2 3.96Å; I220-W233 HydrophobicContact CD1-CH2 3.41Å; I220-W233 VanDerWaalsContact CD1-CH2 3.41Å; I220-W233 HydrophobicContact CD1-CZ2 4.12Å; I220-W233 HydrophobicContact CD1-CZ3 4.31Å; I220-W233 HydrophobicContact CG1-CH2 4.26Å; I220-W233 HydrophobicContact CG2-CH2 3.7Å; I220-W233 HydrophobicContact CG2-CZ3 3.87Å; L225-W233 HydrophobicContact CD1-CE3 3.66Å; L225-W233 HydrophobicContact CD1-CH2 4.43Å; L225-W233 HydrophobicContact CD1-CZ3 3.37Å; T229-W233 VanDerWaalsContact O-CB 3.31Å; T229-W233 WeakPolarHBondContact O-CB 3.26Å; T229-W233 PolarHBondContact O-N 3.11Å; Q230-W233 WeakPolarHBondContact O-CB 3.39Å; Q230-W233 PolarHBondContact O-N 3.08Å; R231-W233 VanDerWaalsContact C-N 3.26Å; R231-W233 PolarHBondContact O-N 2.73Å; W233-Q235 PolarHBondContact O-N 2.8Å; W233-G236 PolarHBondContact O-N 3.07Å; W233-L237 WeakPolarHBondContact O-CG 3.32Å; W233-L249 HydrophobicContact CZ2-CD2 4.19Å
234	F	70.2	Confident	70.8	Confident	100 Å²	100	75.5 Å²	75.5	44%	0.439	42%	0.422	S	S	.	.	H	α-helix	trans	-63.1	-26	178.1	-71.5	-68.2	0	0	0	113.7	Q230 R231 L249	Q230-F234 HydrophobicContact CB-CE2 4.38Å; Q230-F234 WeakPolarHBondContact O-CD2 3.31Å; Q230-F234 PolarHBondContact O-N 3.4Å; R231-F234 PolarHBondContact O-N 3.45Å; F234-L249 HydrophobicContact CD1-CD1 4.1Å; F234-L249 HydrophobicContact CE1-CD1 3.37Å; F234-L249 HydrophobicContact CZ-CD1 3.88Å
235	Q	68.6	Low	69.6	Low	162 Å²	162	74.8 Å²	74.8	76%	0.757	42%	0.416	S	S	*	.	H	α-helix	trans	-82.8	-35.8	178	-71.2	176.4	1.6	0	0	113.4	R231 A232 W233 L237	R231-Q235 WeakPolarHBondContact O-CG 3.45Å; R231-Q235 PolarHBondContact O-N 2.89Å; R231-Q235 VanDerWaalsContact O-N 3.09Å; A232-Q235 PolarHBondContact O-N 2.73Å; W233-Q235 PolarHBondContact O-N 2.8Å; Q235-L237 VanDerWaalsContact C-N 3.33Å; Q235-L237 PolarHBondContact O-N 2.93Å
236	G	64	Low	68.5	Low	63 Å²	63	77 Å²	77	65%	0.649	43%	0.43	S	S	*	.	H	α-helix	trans	-79.5	-4.5	-174.1	0	0	0	0	0	115.9	A232 W233	A232-G236 PolarHBondContact O-N 2.9Å; W233-G236 PolarHBondContact O-N 3.07Å
237	L	60.2	Low	67.3	Low	24 Å²	24	80.1 Å²	80.1	13%	0.126	44%	0.439	C	S	.	.	S	Bend	trans	-72.6	131.2	-176.2	-69.8	166.3	0	0	0	112.7	W233 Q235 K242 V245	W233-L237 WeakPolarHBondContact O-CG 3.32Å; Q235-L237 VanDerWaalsContact C-N 3.33Å; Q235-L237 PolarHBondContact O-N 2.93Å; L237-K242 HydrophobicContact CB-CG 4.2Å; L237-V245 HydrophobicContact CD1-CB 3.79Å; L237-V245 HydrophobicContact CD1-CG1 3.45Å; L237-V245 VanDerWaalsContact CD1-CG1 3.45Å; L237-V245 HydrophobicContact CD1-CG2 4.43Å; L237-V245 HydrophobicContact CD2-CB 3.79Å; L237-V245 HydrophobicContact CD2-CG1 3.69Å; L237-V245 HydrophobicContact CD2-CG2 3.48Å; L237-V245 VanDerWaalsContact CD2-CG2 3.48Å; L237-V245 HydrophobicContact CG-CB 4.4Å; L237-V245 HydrophobicContact CG-CG1 4.19Å
238	P	57.1	Low	66.1	Low	64 Å²	64	74.5 Å²	74.5	42%	0.416	41%	0.413	S	S	.	.			trans	-53.6	144.7	170.5	-25	33.9	0	0	0	111.3	N240 D241 K242	P238-N240 PolarHBondContact O-N 2.79Å; P238-N240 VanDerWaalsContact O-N 3.1Å; P238-D241 HydrophobicContact CB-CB 4.28Å; P238-D241 WeakPolarHBondContact CB-OD2 3.48Å; P238-D241 HydrophobicContact CG-CB 4.45Å; P238-D241 VanDerWaalsContact CG-OD2 3.32Å; P238-D241 WeakPolarHBondContact CG-OD2 3.16Å; P238-D241 PolarHBondContact O-N 2.9Å; P238-K242 PolarHBondContact O-N 3.14Å
239	P	55.6	Low	64.9	Low	109 Å²	109	69.7 Å²	69.7	71%	0.708	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-35.7	-178	-23.8	31.4	0	0	0	113.6
240	N	57.7	Low	63.9	Low	148 Å²	148	76.1 Å²	76.1	79%	0.791	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-24.9	-179	-65	-9.1	0	0	0	113	P238	P238-N240 PolarHBondContact O-N 2.79Å; P238-N240 VanDerWaalsContact O-N 3.1Å
241	D	56.7	Low	63	Low	55 Å²	55	81.3 Å²	81.3	29%	0.294	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-9.5	-176.6	-65.3	-33.8	0	0	0	113.1	P238 S243 V244 V245	P238-D241 HydrophobicContact CB-CB 4.28Å; P238-D241 WeakPolarHBondContact CB-OD2 3.48Å; P238-D241 HydrophobicContact CG-CB 4.45Å; P238-D241 VanDerWaalsContact CG-OD2 3.32Å; P238-D241 WeakPolarHBondContact CG-OD2 3.16Å; P238-D241 PolarHBondContact O-N 2.9Å; D241-S243 VanDerWaalsContact C-N 3.25Å; D241-S243 PolarHBondContact O-N 2.87Å; D241-V244 PolarHBondContact O-N 2.82Å; D241-V244 VanDerWaalsContact O-N 3.17Å; D241-V245 HydrophobicContact CB-CG2 4.31Å; D241-V245 WeakPolarHBondContact O-CB 3.24Å; D241-V245 WeakPolarHBondContact O-CG2 3.24Å; D241-V245 PolarHBondContact O-N 3.48Å
242	K	58	Low	61.9	Low	110 Å²	110	75.3 Å²	75.3	48%	0.478	41%	0.406	S	S	.	.	H	α-helix	trans	-52.6	-42.9	179.2	-73.8	-176.1	179.2	-178.2	0	112.2	L237 P238 V246	L237-K242 HydrophobicContact CB-CG 4.2Å; P238-K242 PolarHBondContact O-N 3.14Å; K242-V246 WeakPolarHBondContact O-CB 3.34Å; K242-V246 WeakPolarHBondContact O-CG2 3.49Å; K242-V246 PolarHBondContact O-N 3Å
243	S	61.2	Low	60.9	Low	84 Å²	84	76.9 Å²	76.9	59%	0.587	41%	0.405	S	S	*	.	H	α-helix	trans	-67.8	-44.4	-179.7	-171.9	0	0	0	0	112.7	D241 V246 Q247	D241-S243 VanDerWaalsContact C-N 3.25Å; D241-S243 PolarHBondContact O-N 2.87Å; S243-V246 PolarHBondContact O-N 3.04Å; S243-Q247 PolarHBondContact O-N 2.87Å
244	V	62	Low	60	Low	55 Å²	55	78.7 Å²	78.7	33%	0.333	42%	0.421	S	S	.	.	H	α-helix	trans	-69.5	-42.2	-177.9	178.1	0	0	0	0	111.1	D241 Q247 G248	D241-V244 PolarHBondContact O-N 2.82Å; D241-V244 VanDerWaalsContact O-N 3.17Å; V244-Q247 PolarHBondContact O-N 3.22Å; V244-G248 PolarHBondContact O-N 3.31Å
245	V	60.4	Low	59.4	Low	1 Å²	1	83.4 Å²	83.4	1%	0.006	44%	0.441	C	S	.	.	H	α-helix	trans	-69.3	-44.3	176	176.3	0	0	0	0	110.4	L213 L217 L237 D241 Q247 G248 L249	L213-V245 HydrophobicContact CD2-CG2 4.31Å; L217-V245 HydrophobicContact CD1-CG1 4.15Å; L217-V245 HydrophobicContact CD1-CG2 3.75Å; L237-V245 HydrophobicContact CD1-CB 3.79Å; L237-V245 HydrophobicContact CD1-CG1 3.45Å; L237-V245 VanDerWaalsContact CD1-CG1 3.45Å; L237-V245 HydrophobicContact CD1-CG2 4.43Å; L237-V245 HydrophobicContact CD2-CB 3.79Å; L237-V245 HydrophobicContact CD2-CG1 3.69Å; L237-V245 HydrophobicContact CD2-CG2 3.48Å; L237-V245 VanDerWaalsContact CD2-CG2 3.48Å; L237-V245 HydrophobicContact CG-CB 4.4Å; L237-V245 HydrophobicContact CG-CG1 4.19Å; D241-V245 HydrophobicContact CB-CG2 4.31Å; D241-V245 WeakPolarHBondContact O-CB 3.24Å; D241-V245 WeakPolarHBondContact O-CG2 3.24Å; D241-V245 PolarHBondContact O-N 3.48Å; V245-Q247 VanDerWaalsContact C-N 3.29Å; V245-Q247 PolarHBondContact O-N 3.5Å; V245-G248 PolarHBondContact O-N 2.57Å; V245-G248 VanDerWaalsContact O-N 3.12Å; V245-L249 HydrophobicContact CG1-CD1 3.54Å; V245-L249 HydrophobicContact CG1-CD2 4.44Å; V245-L249 HydrophobicContact CG1-CG 3.78Å; V245-L249 WeakPolarHBondContact O-CB 3.01Å; V245-L249 WeakPolarHBondContact O-CG 3.33Å; V245-L249 PolarHBondContact O-N 3.1Å
246	V	62.2	Low	59.1	Low	55 Å²	55	83.7 Å²	83.7	33%	0.333	44%	0.44	S	S	.	.	H	α-helix	trans	-56.9	-42.7	174	168.8	0	0	0	0	111.2	K242 S243 L249 Y250	K242-V246 WeakPolarHBondContact O-CB 3.34Å; K242-V246 WeakPolarHBondContact O-CG2 3.49Å; K242-V246 PolarHBondContact O-N 3Å; S243-V246 PolarHBondContact O-N 3.04Å; V246-L249 PolarHBondContact O-N 2.8Å; V246-Y250 HydrophobicContact CG1-CD2 3.4Å; V246-Y250 VanDerWaalsContact CG1-CD2 3.4Å; V246-Y250 HydrophobicContact CG1-CE2 3.41Å; V246-Y250 VanDerWaalsContact CG1-CE2 3.41Å; V246-Y250 WeakPolarHBondContact O-CB 3.49Å; V246-Y250 VanDerWaalsContact O-CD2 3.25Å; V246-Y250 WeakPolarHBondContact O-CD2 3.38Å; V246-Y250 PolarHBondContact O-N 2.7Å
247	Q	61.3	Low	59.3	Low	118 Å²	118	86.2 Å²	86.2	55%	0.551	43%	0.434	S	S	*	.	H	α-helix	trans	-62.4	-44.8	173.8	-87.9	-172	-14.3	0	0	113.5	S243 V244 V245 L249 K251	S243-Q247 PolarHBondContact O-N 2.87Å; V244-Q247 PolarHBondContact O-N 3.22Å; V245-Q247 VanDerWaalsContact C-N 3.29Å; V245-Q247 PolarHBondContact O-N 3.5Å; Q247-L249 VanDerWaalsContact C-N 3.28Å; Q247-L249 PolarHBondContact O-N 3.35Å; Q247-K251 WeakPolarHBondContact O-CG 3.19Å; Q247-K251 PolarHBondContact O-N 2.9Å; Q247-K251 VanDerWaalsContact O-N 3.1Å
248	G	59.1	Low	60.2	Low	1 Å²	1	90.8 Å²	90.8	1%	0.01	45%	0.452	C	S	.	.	H	α-helix	trans	-59.5	-41.7	174.9	0	0	0	0	0	111.8	V244 V245 K251 S252	V244-G248 PolarHBondContact O-N 3.31Å; V245-G248 PolarHBondContact O-N 2.57Å; V245-G248 VanDerWaalsContact O-N 3.12Å; G248-K251 PolarHBondContact O-N 2.83Å; G248-S252 PolarHBondContact O-N 3.33Å; G248-S252 VanDerWaalsContact O-N 3.09Å; G248-S252 PolarHBondContact O-OG 2.88Å
249	L	59.4	Low	61.6	Low	6 Å²	6	89.9 Å²	89.9	3%	0.031	45%	0.446	C	S	.	.	H	α-helix	trans	-72.6	-39.3	-178.4	-66.9	174.9	0	0	0	113.1	I222 W233 F234 V245 V246 Q247 K251 S252 M253	I222-L249 HydrophobicContact CD1-CB 3.46Å; I222-L249 VanDerWaalsContact CD1-CB 3.46Å; I222-L249 HydrophobicContact CD1-CD2 3.23Å; I222-L249 HydrophobicContact CD1-CG 3.83Å; I222-L249 WeakPolarHBondContact CD1-O 3.43Å; I222-L249 HydrophobicContact CG1-CD2 3.61Å; W233-L249 HydrophobicContact CZ2-CD2 4.19Å; F234-L249 HydrophobicContact CD1-CD1 4.1Å; F234-L249 HydrophobicContact CE1-CD1 3.37Å; F234-L249 HydrophobicContact CZ-CD1 3.88Å; V245-L249 HydrophobicContact CG1-CD1 3.54Å; V245-L249 HydrophobicContact CG1-CD2 4.44Å; V245-L249 HydrophobicContact CG1-CG 3.78Å; V245-L249 WeakPolarHBondContact O-CB 3.01Å; V245-L249 WeakPolarHBondContact O-CG 3.33Å; V245-L249 PolarHBondContact O-N 3.1Å; V246-L249 PolarHBondContact O-N 2.8Å; Q247-L249 VanDerWaalsContact C-N 3.28Å; Q247-L249 PolarHBondContact O-N 3.35Å; L249-K251 VanDerWaalsContact C-N 3.29Å; L249-K251 PolarHBondContact O-N 3.14Å; L249-S252 WeakPolarHBondContact CA-OG 3.18Å; L249-S252 PolarHBondContact O-N 2.83Å; L249-S252 PolarHBondContact O-OG 3.04Å; L249-M253 PolarHBondContact O-N 3.47Å
250	Y	60.3	Low	63.4	Low	167 Å²	167	84.7 Å²	84.7	66%	0.655	41%	0.413	S	S	*	.	H	α-helix	trans	-66.2	-33.1	173	-90.2	-76.3	0	0	0	111.8	V246 S252 M253	V246-Y250 HydrophobicContact CG1-CD2 3.4Å; V246-Y250 VanDerWaalsContact CG1-CD2 3.4Å; V246-Y250 HydrophobicContact CG1-CE2 3.41Å; V246-Y250 VanDerWaalsContact CG1-CE2 3.41Å; V246-Y250 WeakPolarHBondContact O-CB 3.49Å; V246-Y250 VanDerWaalsContact O-CD2 3.25Å; V246-Y250 WeakPolarHBondContact O-CD2 3.38Å; V246-Y250 PolarHBondContact O-N 2.7Å; Y250-S252 VanDerWaalsContact C-N 3.34Å; Y250-M253 HydrophobicContact CD1-CE 3.25Å; Y250-M253 HydrophobicContact CE1-CE 3.53Å; Y250-M253 HydrophobicContact CG-CE 3.85Å
251	K	60.7	Low	65.1	Low	159 Å²	159	78.2 Å²	78.2	69%	0.691	38%	0.378	S	S	*	.	H	α-helix	trans	-69.4	-31.9	173.6	-76.3	178.2	-179.9	179.9	0	112.5	Q247 G248 L249	Q247-K251 WeakPolarHBondContact O-CG 3.19Å; Q247-K251 PolarHBondContact O-N 2.9Å; Q247-K251 VanDerWaalsContact O-N 3.1Å; G248-K251 PolarHBondContact O-N 2.83Å; L249-K251 VanDerWaalsContact C-N 3.29Å; L249-K251 PolarHBondContact O-N 3.14Å
252	S	55.5	Low	66.8	Low	12 Å²	12	75.8 Å²	75.8	8%	0.084	37%	0.365	C	S	.	.	H	α-helix	trans	-85.7	-5.9	-178.9	66.2	0	0	0	0	114.3	S218 I222 G248 L249 Y250 P254	S218-S252 WeakPolarHBondContact O-CB 3.45Å; I222-S252 WeakPolarHBondContact CD1-OG 3.29Å; G248-S252 PolarHBondContact O-N 3.33Å; G248-S252 VanDerWaalsContact O-N 3.09Å; G248-S252 PolarHBondContact O-OG 2.88Å; L249-S252 WeakPolarHBondContact CA-OG 3.18Å; L249-S252 PolarHBondContact O-N 2.83Å; L249-S252 PolarHBondContact O-OG 3.04Å; Y250-S252 VanDerWaalsContact C-N 3.34Å; S252-P254 WeakPolarHBondContact O-CD 3.42Å
253	M	55.2	Low	68.4	Low	90 Å²	90	73.4 Å²	73.4	44%	0.443	36%	0.357	S	S	.	.			trans	-77.3	96.4	170.5	-83.4	-169.7	-79.4	0	0	109.7	L249 Y250	L249-M253 PolarHBondContact O-N 3.47Å; Y250-M253 HydrophobicContact CD1-CE 3.25Å; Y250-M253 HydrophobicContact CE1-CE 3.53Å; Y250-M253 HydrophobicContact CG-CE 3.85Å
254	P	54.1	Low	69.9	Low	70 Å²	70	71.6 Å²	71.6	46%	0.455	34%	0.342	S	S	.	.			trans	-79.3	163.2	177.5	3.1	20.9	0	0	0	108.3	D223 S252 F256	D223-P254 VanDerWaalsContact OD2-CD 3.24Å; D223-P254 WeakPolarHBondContact OD2-CD 3.21Å; S252-P254 WeakPolarHBondContact O-CD 3.42Å; P254-F256 PolarHBondContact O-N 2.63Å; P254-F256 VanDerWaalsContact O-N 3.13Å
255	K	57.3	Low	71.4	Confident	199 Å²	199	71.1 Å²	71.1	87%	0.865	34%	0.336	S	S	*	.	S	Bend	trans	-64.8	-13.8	172.5	-67.2	-178.3	-179.5	177.2	0	113.2
256	F	63.3	Low	73	Confident	167 Å²	167	73.2 Å²	73.2	73%	0.732	35%	0.346	S	S	*	.	S	Bend	trans	-144.2	135.3	-176	-64.6	-77.1	0	0	0	111.6	P254 K258	P254-F256 PolarHBondContact O-N 2.63Å; P254-F256 VanDerWaalsContact O-N 3.13Å; F256-K258 PolarHBondContact O-N 2.87Å
257	F	68.2	Low	74.6	Confident	117 Å²	117	73 Å²	73	51%	0.513	34%	0.341	S	S	.	.			trans	-63	120.8	168.1	176.5	-96.5	0	0	0	109.9	D223 A224 P259 M263	D223-F257 HydrophobicContact CB-CD2 4.19Å; A224-F257 HydrophobicContact CB-CD2 4.44Å; A224-F257 HydrophobicContact CB-CE2 3.58Å; A224-F257 HydrophobicContact CB-CZ 4.3Å; F257-P259 HydrophobicContact CE1-CB 3.83Å; F257-P259 HydrophobicContact CE1-CG 4.02Å; F257-P259 HydrophobicContact CZ-CB 4.12Å; F257-M263 HydrophobicContact CZ-CE 4.25Å
258	K	79.1	Confident	76.3	Confident	120 Å²	120	67.4 Å²	67.4	52%	0.522	32%	0.315	S	S	.	.			trans	-119.2	110.8	170.8	-166	177.9	-176.9	-172	0	108.3	D184 R221 F256	D184-K258 VanDerWaalsContact CG-NZ 3.34Å; D184-K258 WeakPolarHBondContact OD1-CD 3.28Å; D184-K258 WeakPolarHBondContact OD1-CE 3.45Å; D184-K258 IonicContact OD1-NZ 2.73Å; D184-K258 WeakPolarHBondContact OD2-CE 3.28Å; D184-K258 IonicContact OD2-NZ 2.85Å; D184-K258 PolarHBondContact OD2-NZ 2.97Å; R221-K258 WeakPolarHBondContact CD-O 3.3Å; R221-K258 PolarHBondContact NH1-O 3.07Å; F256-K258 PolarHBondContact O-N 2.87Å
259	P	86.8	Confident	78.1	Confident	44 Å²	44	67.4 Å²	67.4	29%	0.286	32%	0.315	S	S	.	.			trans	-69	156.8	176.9	27.2	-31.8	0	0	0	111.4	R221 F257 M263 T264	R221-P259 VanDerWaalsContact NH1-C 3.3Å; R221-P259 PolarHBondContact NH1-O 3.47Å; R221-P259 VanDerWaalsContact NH1-O 3.12Å; F257-P259 HydrophobicContact CE1-CB 3.83Å; F257-P259 HydrophobicContact CE1-CG 4.02Å; F257-P259 HydrophobicContact CZ-CB 4.12Å; P259-M263 HydrophobicContact CB-CB 4.03Å; P259-M263 HydrophobicContact CB-CE 4.48Å; P259-M263 HydrophobicContact CB-SD 4Å; P259-T264 HydrophobicContact CB-CG2 4.27Å; P259-T264 HydrophobicContact CG-CG2 3.87Å
260	R	93.3	Very high	79.8	Confident	1 Å²	1	67.3 Å²	67.3	0%	0.004	31%	0.314	C	S	.	.			trans	-73.5	155.8	167.1	-55.5	-73.6	179.4	176.3	2.2	109.3	L181 S182 S183 D184 V188 E191 Q219 R221 G262 M263	L181-R260 VanDerWaalsContact O-CZ 3.3Å; L181-R260 PolarHBondContact O-NH1 3.1Å; L181-R260 PolarHBondContact O-NH2 3.44Å; S182-R260 PolarHBondContact O-NH1 2.7Å; S183-R260 WeakPolarHBondContact O-CD 3.47Å; S183-R260 PolarHBondContact O-NH1 3.19Å; D184-R260 CarbonylContact O-C 3.55Å; D184-R260 WeakPolarHBondContact O-CA 3.42Å; V188-R260 HydrophobicContact CG2-CB 3.83Å; V188-R260 HydrophobicContact CG2-CG 3.84Å; E191-R260 IonicContact OE1-CZ 2.7Å; E191-R260 IonicContact OE1-NE 2.8Å; E191-R260 IonicContact OE1-NH2 2.87Å; E191-R260 PolarHBondContact OE1-NH2 2.91Å; E191-R260 WeakPolarHBondContact OE2-CG 3.29Å; E191-R260 IonicContact OE2-CZ 2.63Å; E191-R260 IonicContact OE2-NE 3.96Å; E191-R260 PolarHBondContact OE2-NE 2.93Å; E191-R260 IonicContact OE2-NH2 3.78Å; Q219-R260 PolarHBondContact O-NH2 3.37Å; R221-R260 VanDerWaalsContact CZ-CD 3.41Å; R221-R260 VanDerWaalsContact CZ-NE 3.3Å; R221-R260 VanDerWaalsContact NE-NE 3.15Å; R221-R260 VanDerWaalsContact NH2-CZ 3.35Å; R260-G262 VanDerWaalsContact C-N 3.28Å; R260-G262 PolarHBondContact O-N 3.45Å; R260-M263 HydrophobicContact CB-CG 4.22Å; R260-M263 HydrophobicContact CB-SD 4.14Å; R260-M263 HydrophobicContact CG-SD 4.31Å; R260-M263 PolarHBondContact N-SD 2.84Å; R260-M263 VanDerWaalsContact N-SD 3.44Å; R260-M263 VanDerWaalsContact O-CB 3.31Å; R260-M263 WeakPolarHBondContact O-CB 3.28Å; R260-M263 PolarHBondContact O-N 3.35Å
261	L	92.3	Very high	81.5	Confident	12 Å²	12	59.4 Å²	59.4	6%	0.063	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-55.5	-40.8	-177.9	-177.8	65.3	0	0	0	112.8	D184 N185 M263 T264 Q356 Y587	D184-L261 WeakPolarHBondContact O-CB 3.46Å; D184-L261 PolarHBondContact O-N 3.31Å; N185-L261 HydrophobicContact CB-CD2 4.37Å; L261-M263 PolarHBondContact O-N 3.45Å; L261-M263 VanDerWaalsContact O-N 3.13Å; L261-T264 PolarHBondContact O-N 2.85Å; L261-T264 VanDerWaalsContact O-N 3.07Å; L261-T264 PolarHBondContact O-OG1 2.97Å; L261-Q356 HydrophobicContact CD2-CB 4.3Å; L261-Q356 HydrophobicContact CD2-CG 3.78Å; L261-Y587 HydrophobicContact CD1-CD1 3.77Å; L261-Y587 HydrophobicContact CD1-CD2 4.31Å; L261-Y587 HydrophobicContact CD1-CE1 4.42Å; L261-Y587 HydrophobicContact CD1-CG 3.7Å; L261-Y587 HydrophobicContact CD2-CD2 4.3Å; L261-Y587 HydrophobicContact CD2-CE1 4.5Å; L261-Y587 HydrophobicContact CD2-CE2 4.28Å; L261-Y587 HydrophobicContact CD2-CG 4.44Å; L261-Y587 HydrophobicContact CG-CD1 3.74Å; L261-Y587 HydrophobicContact CG-CD2 4.32Å; L261-Y587 HydrophobicContact CG-CE1 3.89Å; L261-Y587 HydrophobicContact CG-CE2 4.46Å; L261-Y587 HydrophobicContact CG-CG 3.98Å; L261-Y587 WeakPolarHBondContact O-CD1 3.17Å
262	G	92.6	Very high	83	Confident	3 Å²	3	51.9 Å²	51.9	3%	0.031	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-60.5	-23.6	177.2	0	0	0	0	0	114.6	L186 V188 R260 T264 K265	L186-G262 PolarHBondContact O-N 2.9Å; L186-G262 VanDerWaalsContact O-N 3.08Å; V188-G262 CarbonylContact O-C 3.56Å; V188-G262 VanDerWaalsContact O-CA 3.25Å; V188-G262 WeakPolarHBondContact O-CA 3.33Å; R260-G262 VanDerWaalsContact C-N 3.28Å; R260-G262 PolarHBondContact O-N 3.45Å; G262-T264 VanDerWaalsContact C-N 3.35Å; G262-K265 WeakPolarHBondContact O-CG 3.42Å
263	M	92.6	Very high	84.6	Confident	61 Å²	61	51.6 Å²	51.6	30%	0.3	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-82.1	-13	179.6	-53.1	173.4	70.7	0	0	112.7	V188 A224 F257 P259 R260 L261	V188-M263 WeakPolarHBondContact O-CG 3.43Å; V188-M263 PolarHBondContact O-N 3.23Å; V188-M263 VanDerWaalsContact O-N 3.1Å; A224-M263 HydrophobicContact CB-CE 4.39Å; F257-M263 HydrophobicContact CZ-CE 4.25Å; P259-M263 HydrophobicContact CB-CB 4.03Å; P259-M263 HydrophobicContact CB-CE 4.48Å; P259-M263 HydrophobicContact CB-SD 4Å; R260-M263 HydrophobicContact CB-CG 4.22Å; R260-M263 HydrophobicContact CB-SD 4.14Å; R260-M263 HydrophobicContact CG-SD 4.31Å; R260-M263 PolarHBondContact N-SD 2.84Å; R260-M263 VanDerWaalsContact N-SD 3.44Å; R260-M263 VanDerWaalsContact O-CB 3.31Å; R260-M263 WeakPolarHBondContact O-CB 3.28Å; R260-M263 PolarHBondContact O-N 3.35Å; L261-M263 PolarHBondContact O-N 3.45Å; L261-M263 VanDerWaalsContact O-N 3.13Å
264	T	92	Very high	86	Confident	45 Å²	45	47.3 Å²	47.3	28%	0.276	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-98.8	8.4	-178.3	68.4	0	0	0	0	113.2	P259 L261 G262 E266 P588	P259-T264 HydrophobicContact CB-CG2 4.27Å; P259-T264 HydrophobicContact CG-CG2 3.87Å; L261-T264 PolarHBondContact O-N 2.85Å; L261-T264 VanDerWaalsContact O-N 3.07Å; L261-T264 PolarHBondContact O-OG1 2.97Å; G262-T264 VanDerWaalsContact C-N 3.35Å; T264-E266 PolarHBondContact O-N 3.38Å; T264-P588 WeakPolarHBondContact O-CD 3.46Å
265	K	92.8	Very high	87.3	Confident	46 Å²	46	45.7 Å²	45.7	20%	0.2	22%	0.217	C	C	.	.			trans	-60.2	130.5	178.4	-77.6	-178.3	-172.7	171.4	0	111.9	N187 G262 K585 L586 Y587	N187-K265 WeakPolarHBondContact OD1-CE 3.3Å; N187-K265 PolarHBondContact OD1-NZ 2.89Å; G262-K265 WeakPolarHBondContact O-CG 3.42Å; K265-K585 HydrophobicContact CB-CB 4.1Å; K265-K585 HydrophobicContact CB-CD 4.49Å; K265-K585 HydrophobicContact CD-CB 4.07Å; K265-K585 HydrophobicContact CD-CD 4.17Å; K265-K585 HydrophobicContact CG-CB 4.29Å; K265-L586 WeakPolarHBondContact CA-O 3.46Å; K265-Y587 HydrophobicContact CD-CE1 4.08Å; K265-Y587 WeakPolarHBondContact CE-OH 3.48Å; K265-Y587 HydrophobicContact CG-CD1 3.76Å; K265-Y587 HydrophobicContact CG-CE1 3.35Å
266	E	94.7	Very high	88.3	Confident	45 Å²	45	37.7 Å²	37.7	21%	0.21	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	138.5	168.6	-68.1	-176	-167.1	0	0	110.1	T264 M268 S289 K585 L586 P588	T264-E266 PolarHBondContact O-N 3.38Å; E266-M268 HydrophobicContact CB-CE 3.87Å; E266-M268 HydrophobicContact CB-CG 4.4Å; E266-M268 PolarHBondContact O-N 2.95Å; E266-S289 WeakPolarHBondContact OE2-CB 3.42Å; E266-S289 PolarHBondContact OE2-OG 2.95Å; E266-K585 CarbonylContact O-C 3.54Å; E266-K585 VanDerWaalsContact O-CA 3.24Å; E266-K585 WeakPolarHBondContact O-CA 3.43Å; E266-L586 PolarHBondContact N-O 2.92Å; E266-L586 PolarHBondContact O-N 3.01Å; E266-P588 HydrophobicContact CB-CG 4.27Å; E266-P588 VanDerWaalsContact CD-CG 3.43Å; E266-P588 HydrophobicContact CG-CG 3.82Å; E266-P588 WeakPolarHBondContact OE1-CG 3.36Å
267	E	95.9	Very high	88.6	Confident	51 Å²	51	32.9 Å²	32.9	24%	0.238	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	121	168.6	-72.9	-175	154.7	0	0	109.8	P290 I530 S531 K585	E267-P290 WeakPolarHBondContact O-CD 3.37Å; E267-I530 HydrophobicContact CB-CD1 4.46Å; E267-I530 HydrophobicContact CB-CG1 4.27Å; E267-S531 WeakPolarHBondContact OE2-CA 2.99Å; E267-S531 PolarHBondContact OE2-N 3.25Å; E267-S531 PolarHBondContact OE2-OG 2.85Å; E267-K585 HydrophobicContact CG-CG 3.98Å
268	M	96.8	Very high	88.6	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	149.2	-178.6	-59.2	-168.4	-171.1	0	0	111	E266 C287 Y288 Y296 V583 G584 L586 P588 L591	E266-M268 HydrophobicContact CB-CE 3.87Å; E266-M268 HydrophobicContact CB-CG 4.4Å; E266-M268 PolarHBondContact O-N 2.95Å; M268-C287 HydrophobicContact CB-CB 4.16Å; M268-C287 HydrophobicContact SD-CB 4.32Å; M268-C287 VanDerWaalsContact SD-SG 3.62Å; M268-Y288 CarbonylContact C-O 3.43Å; M268-Y288 VanDerWaalsContact CA-O 3.29Å; M268-Y288 WeakPolarHBondContact CA-O 3.34Å; M268-Y288 WeakPolarHBondContact CB-O 3.12Å; M268-Y296 HydrophobicContact CE-CD2 4.18Å; M268-Y296 HydrophobicContact CE-CE2 3.98Å; M268-Y296 HydrophobicContact SD-CD2 4.02Å; M268-Y296 HydrophobicContact SD-CE2 4.34Å; M268-V583 WeakPolarHBondContact O-CA 3.33Å; M268-G584 PolarHBondContact N-O 2.94Å; M268-G584 PolarHBondContact O-N 2.82Å; M268-L586 HydrophobicContact CB-CD1 4.38Å; M268-L586 HydrophobicContact CE-CB 4.31Å; M268-L586 HydrophobicContact CG-CB 4.46Å; M268-L586 HydrophobicContact SD-CB 3.94Å; M268-L586 HydrophobicContact SD-CD1 4.17Å; M268-P588 HydrophobicContact CE-CB 4.28Å; M268-P588 HydrophobicContact CE-CG 3.59Å; M268-L591 HydrophobicContact SD-CD1 4.29Å
269	M	96.5	Very high	87.7	Confident	1 Å²	1	32 Å²	32	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	118.2	168.5	-63.2	-177.1	-175.5	0	0	108.7	F271 C287 Y288 P290 V528 I530 F537 T551 V583	M269-F271 HydrophobicContact CB-CE1 4.29Å; M269-F271 HydrophobicContact CB-CE2 4.08Å; M269-F271 HydrophobicContact CB-CZ 3.7Å; M269-F271 HydrophobicContact SD-CZ 4.37Å; M269-C287 CarbonylContact O-C 3.52Å; M269-C287 WeakPolarHBondContact O-CA 3.3Å; M269-C287 WeakPolarHBondContact O-CB 3.35Å; M269-Y288 PolarHBondContact N-O 3.39Å; M269-Y288 PolarHBondContact O-N 3.18Å; M269-P290 HydrophobicContact CE-CG 4.41Å; M269-V528 HydrophobicContact CE-CG2 4.2Å; M269-I530 HydrophobicContact CE-CD1 4.07Å; M269-I530 HydrophobicContact CE-CG2 4.19Å; M269-I530 HydrophobicContact CG-CD1 4.15Å; M269-F537 HydrophobicContact SD-CB 4.22Å; M269-F537 HydrophobicContact SD-CD2 3.56Å; M269-F537 VanDerWaalsContact SD-CD2 3.56Å; M269-F537 HydrophobicContact SD-CE2 4.23Å; M269-F537 HydrophobicContact SD-CG 4.18Å; M269-T551 HydrophobicContact CE-CG2 3.98Å; M269-V583 HydrophobicContact CG-CG2 4.44Å
270	I	96.7	Very high	86.5	Confident	4 Å²	4	35.6 Å²	35.6	2%	0.021	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	121.7	-178	-60.7	170.4	0	0	0	108.6	I272 C287 L298 I318 C581 T582 L586	I270-I272 HydrophobicContact CG2-CG1 4.24Å; I270-C287 HydrophobicContact CG1-CB 4.12Å; I270-L298 HydrophobicContact CG2-CD1 3.72Å; I270-I318 HydrophobicContact CD1-CD1 3.51Å; I270-I318 HydrophobicContact CD1-CG1 4.02Å; I270-C581 WeakPolarHBondContact O-CA 3.25Å; I270-T582 HydrophobicContact CB-CG2 3.84Å; I270-T582 HydrophobicContact CD1-CG2 4.4Å; I270-T582 HydrophobicContact CG2-CG2 4.23Å; I270-T582 PolarHBondContact N-O 2.6Å; I270-T582 PolarHBondContact O-N 2.76Å; I270-L586 HydrophobicContact CD1-CD1 4.01Å; I270-L586 HydrophobicContact CD1-CD2 4.49Å; I270-L586 HydrophobicContact CD1-CG 4.32Å; I270-L586 HydrophobicContact CG1-CD1 3.95Å
271	F	95.1	Very high	85.3	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	118.5	178.3	-53.4	-67	0	0	0	110.6	M269 S285 V286 F537 L575 F579 R580 C581	M269-F271 HydrophobicContact CB-CE1 4.29Å; M269-F271 HydrophobicContact CB-CE2 4.08Å; M269-F271 HydrophobicContact CB-CZ 3.7Å; M269-F271 HydrophobicContact SD-CZ 4.37Å; F271-S285 WeakPolarHBondContact O-CA 3.46Å; F271-V286 WeakPolarHBondContact CA-O 3.2Å; F271-V286 HydrophobicContact CB-CG2 4.19Å; F271-V286 HydrophobicContact CD2-CG2 4.24Å; F271-V286 PolarHBondContact N-O 3.29Å; F271-V286 PolarHBondContact O-N 3.46Å; F271-F537 AromaticContact CE1-CD1 3.91Å; F271-F537 HydrophobicContact CE1-CD1 3.91Å; F271-F537 HydrophobicContact CE1-CD2 4.47Å; F271-F537 AromaticContact CE1-CE1 3.58Å; F271-F537 HydrophobicContact CE1-CE1 3.58Å; F271-F537 HydrophobicContact CE1-CE2 4.16Å; F271-F537 HydrophobicContact CE1-CG 4.33Å; F271-F537 AromaticContact CE1-CZ 3.71Å; F271-F537 HydrophobicContact CE1-CZ 3.71Å; F271-F537 HydrophobicContact CE2-CE2 4.46Å; F271-F537 HydrophobicContact CE2-CZ 4.24Å; F271-F537 HydrophobicContact CZ-CD1 4.27Å; F271-F537 HydrophobicContact CZ-CD2 4.08Å; F271-F537 AromaticContact CZ-CE1 3.77Å; F271-F537 HydrophobicContact CZ-CE1 3.77Å; F271-F537 AromaticContact CZ-CE2 3.54Å; F271-F537 HydrophobicContact CZ-CE2 3.54Å; F271-F537 HydrophobicContact CZ-CG 4.39Å; F271-F537 AromaticContact CZ-CZ 3.36Å; F271-F537 HydrophobicContact CZ-CZ 3.36Å; F271-L575 HydrophobicContact CB-CD1 4.27Å; F271-L575 HydrophobicContact CD1-CD1 3.94Å; F271-L575 HydrophobicContact CD2-CD1 3.78Å; F271-L575 HydrophobicContact CE1-CD1 4.19Å; F271-L575 HydrophobicContact CE2-CD1 4.04Å; F271-L575 HydrophobicContact CG-CD1 3.72Å; F271-L575 HydrophobicContact CZ-CD1 4.25Å; F271-F579 AromaticContact CD1-CD2 3.72Å; F271-F579 HydrophobicContact CD1-CD2 3.72Å; F271-F579 HydrophobicContact CD1-CE2 4.04Å; F271-F579 HydrophobicContact CE1-CD2 4.26Å; F271-F579 HydrophobicContact CE1-CE2 4.1Å; F271-R580 VanDerWaalsContact CA-O 3.26Å; F271-R580 WeakPolarHBondContact CA-O 3.41Å; F271-C581 HydrophobicContact CD1-CB 3.95Å; F271-C581 HydrophobicContact CE1-CB 3.87Å; F271-C581 WeakPolarHBondContact CE1-SG 3.35Å
272	I	93	Very high	84.5	Confident	1 Å²	1	43.2 Å²	43.2	1%	0.005	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	141.7	172.4	-57.1	-168.5	0	0	0	107.7	I270 A274 P301 V308 T310 I320 W360 F579 R580	I270-I272 HydrophobicContact CG2-CG1 4.24Å; I272-A274 VanDerWaalsContact C-N 3.31Å; I272-P301 HydrophobicContact CG2-CG 4.12Å; I272-V308 HydrophobicContact CG2-CG2 3.85Å; I272-T310 HydrophobicContact CB-CG2 4.35Å; I272-T310 HydrophobicContact CD1-CG2 3.76Å; I272-T310 HydrophobicContact CG1-CG2 4.34Å; I272-I320 HydrophobicContact CD1-CG2 3.51Å; I272-W360 HydrophobicContact CD1-CH2 3.97Å; I272-W360 HydrophobicContact CD1-CZ2 4.1Å; I272-F579 WeakPolarHBondContact O-CA 3.41Å; I272-R580 PolarHBondContact N-O 3.48Å; I272-R580 PolarHBondContact O-N 2.95Å
273	E	88.2	Confident	84.1	Confident	6 Å²	6	46.4 Å²	46.4	3%	0.028	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	61.7	35.1	-172.7	-63.5	160.2	-137.6	0	0	113.4	Y283 K307 V308	E273-Y283 HydrophobicContact CB-CD1 4.04Å; E273-Y283 HydrophobicContact CB-CE1 4.49Å; E273-K307 WeakPolarHBondContact OE1-CA 3.33Å; E273-K307 PolarHBondContact OE1-N 3.19Å; E273-K307 WeakPolarHBondContact OE2-CA 3.4Å; E273-K307 PolarHBondContact OE2-N 3.28Å; E273-V308 PolarHBondContact OE1-N 3.48Å
274	A	83.6	Confident	83.8	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	141.4	163.2	0	0	0	0	0	109	I272 S276 Y283 S284 V286 L575	I272-A274 VanDerWaalsContact C-N 3.31Å; A274-S276 PolarHBondContact O-N 3.07Å; A274-Y283 CarbonylContact O-C 3.57Å; A274-Y283 WeakPolarHBondContact O-CA 3.32Å; A274-S284 WeakPolarHBondContact CB-O 3.43Å; A274-S284 PolarHBondContact N-O 2.96Å; A274-S284 PolarHBondContact O-N 3.28Å; A274-V286 HydrophobicContact CB-CG2 4.37Å; A274-L575 HydrophobicContact CB-CB 4.04Å; A274-L575 HydrophobicContact CB-CD2 3.61Å; A274-L575 HydrophobicContact CB-CG 4.33Å
275	S	83.1	Confident	83.8	Confident	36 Å²	36	42.4 Å²	42.4	25%	0.252	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.1	133.5	169.7	31.1	0	0	0	0	110	W573 D574 L575 G576	S275-W573 PolarHBondContact O-NE1 3.09Å; S275-D574 PolarHBondContact OG-O 3.4Å; S275-L575 PolarHBondContact N-O 2.99Å; S275-L575 WeakPolarHBondContact OG-CA 3.42Å; S275-L575 PolarHBondContact OG-O 2.69Å; S275-G576 PolarHBondContact OG-N 2.8Å; S275-G576 VanDerWaalsContact OG-N 3.08Å
276	S	77.4	Confident	83.9	Confident	32 Å²	32	40.4 Å²	40.4	22%	0.224	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-69	146.5	-179.1	-159.8	0	0	0	0	111.7	A274 N278 S281 L282	A274-S276 PolarHBondContact O-N 3.07Å; S276-N278 VanDerWaalsContact C-N 3.29Å; S276-N278 PolarHBondContact OG-N 2.99Å; S276-S281 WeakPolarHBondContact CB-O 3.41Å; S276-L282 PolarHBondContact N-O 3.06Å
277	E	69.6	Low	83.9	Confident	65 Å²	65	38.2 Å²	38.2	30%	0.304	22%	0.221	S	C	.	.	S	Bend	trans	-67.8	-32.1	164.2	-60.4	175.9	179	0	0	111.8	W573 S594 W596	E277-W573 HydrophobicContact CG-CD2 3.66Å; E277-W573 HydrophobicContact CG-CE3 4Å; E277-W573 HydrophobicContact CG-CG 4.02Å; E277-W573 HydrophobicContact CG-CH2 4.13Å; E277-W573 HydrophobicContact CG-CZ2 3.91Å; E277-W573 HydrophobicContact CG-CZ3 4.24Å; E277-W573 WeakPolarHBondContact OE1-CH2 3.3Å; E277-W573 WeakPolarHBondContact OE1-CZ3 3.48Å; E277-S594 PolarHBondContact OE1-OG 3.46Å; E277-S594 VanDerWaalsContact OE1-OG 3.12Å; E277-W596 HydrophobicContact CG-CE3 3.93Å; E277-W596 HydrophobicContact CG-CZ3 4.29Å; E277-W596 WeakPolarHBondContact OE1-CB 3.41Å
278	N	67.4	Low	83.9	Confident	89 Å²	89	36 Å²	36	48%	0.476	21%	0.21	S	C	.	.	S	Bend	trans	-91.6	122.5	-172.4	-170	-8.9	0	0	0	109.5	S276 C280 S281	S276-N278 VanDerWaalsContact C-N 3.29Å; S276-N278 PolarHBondContact OG-N 2.99Å; N278-C280 PolarHBondContact O-N 3.19Å; N278-C280 PolarHBondContact OD1-N 3.31Å; N278-S281 PolarHBondContact O-N 2.92Å
279	P	61.2	Low	83.9	Confident	131 Å²	131	36 Å²	36	85%	0.851	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-14.9	178.7	21.8	-32.7	0	0	0	114
280	C	62.6	Low	83.7	Confident	119 Å²	119	36.7 Å²	36.7	80%	0.804	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-22.6	174.5	-64.8	0	0	0	0	114.3	N278	N278-C280 PolarHBondContact O-N 3.19Å; N278-C280 PolarHBondContact OD1-N 3.31Å
281	S	67.9	Low	83.5	Confident	46 Å²	46	42.2 Å²	42.2	32%	0.322	24%	0.241	S	C	.	.			trans	-117.6	142.5	177.4	-174.2	0	0	0	0	110.3	S276 N278 Y283	S276-S281 WeakPolarHBondContact CB-O 3.41Å; N278-S281 PolarHBondContact O-N 2.92Å; S281-Y283 PolarHBondContact OG-N 3.02Å; S281-Y283 PolarHBondContact OG-O 2.97Å
282	L	74.6	Confident	83.3	Confident	127 Å²	127	44 Å²	44	67%	0.665	26%	0.256	S	S	*	.	S	Bend	trans	-76.8	-33.7	175.3	-79.1	146.3	0	0	0	111.7	S276	S276-L282 PolarHBondContact N-O 3.06Å
283	Y	83.6	Confident	83.3	Confident	69 Å²	69	49.1 Å²	49.1	27%	0.271	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	158.6	-173	-59.1	-82.1	0	0	0	111.7	E273 A274 S281 H306	E273-Y283 HydrophobicContact CB-CD1 4.04Å; E273-Y283 HydrophobicContact CB-CE1 4.49Å; A274-Y283 CarbonylContact O-C 3.57Å; A274-Y283 WeakPolarHBondContact O-CA 3.32Å; S281-Y283 PolarHBondContact OG-N 3.02Å; S281-Y283 PolarHBondContact OG-O 2.97Å; Y283-H306 AromaticContact CD2-CD2 3.99Å; Y283-H306 AromaticContact CD2-CE1 3.16Å; Y283-H306 WeakPolarHBondContact CD2-CE1 3.39Å; Y283-H306 AromaticContact CD2-CG 3.88Å; Y283-H306 AromaticContact CD2-ND1 3.35Å; Y283-H306 VanDerWaalsContact CD2-ND1 3.35Å; Y283-H306 WeakPolarHBondContact CD2-ND1 3.49Å; Y283-H306 AromaticContact CD2-NE2 3.52Å; Y283-H306 AromaticContact CE2-CE1 3.97Å; Y283-H306 AromaticContact CE2-ND1 3.96Å; Y283-H306 AromaticContact CE2-NE2 3.97Å; Y283-H306 AromaticContact CG-CE1 3.84Å; Y283-H306 AromaticContact CG-ND1 3.84Å
284	S	87.4	Confident	83.5	Confident	19 Å²	19	52.4 Å²	52.4	13%	0.133	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	160.1	173.9	53.2	0	0	0	0	110.3	A274	A274-S284 WeakPolarHBondContact CB-O 3.43Å; A274-S284 PolarHBondContact N-O 2.96Å; A274-S284 PolarHBondContact O-N 3.28Å
285	S	92.5	Very high	84	Confident	4 Å²	4	52.6 Å²	52.6	3%	0.028	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	133.2	169.7	-66.4	0	0	0	0	110	F271 L298 P301	F271-S285 WeakPolarHBondContact O-CA 3.46Å; S285-L298 PolarHBondContact O-N 2.98Å; S285-L298 VanDerWaalsContact O-O 3.06Å; S285-P301 VanDerWaalsContact OG-CD 3.25Å; S285-P301 WeakPolarHBondContact OG-CD 3.28Å
286	V	94.1	Very high	84.6	Confident	3 Å²	3	51.7 Å²	51.7	2%	0.018	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	161.6	178.1	-74.4	0	0	0	0	111.2	F271 A274 V295 Y296 W573 L575	F271-V286 WeakPolarHBondContact CA-O 3.2Å; F271-V286 HydrophobicContact CB-CG2 4.19Å; F271-V286 HydrophobicContact CD2-CG2 4.24Å; F271-V286 PolarHBondContact N-O 3.29Å; F271-V286 PolarHBondContact O-N 3.46Å; A274-V286 HydrophobicContact CB-CG2 4.37Å; V286-V295 HydrophobicContact CB-CG1 4.01Å; V286-V295 HydrophobicContact CG1-CG1 4.27Å; V286-V295 HydrophobicContact CG2-CG1 4.4Å; V286-Y296 WeakPolarHBondContact CA-O 3.41Å; V286-Y296 WeakPolarHBondContact CB-O 2.97Å; V286-Y296 WeakPolarHBondContact CG1-O 3.46Å; V286-W573 HydrophobicContact CB-CH2 4.15Å; V286-W573 HydrophobicContact CG1-CH2 3.41Å; V286-W573 VanDerWaalsContact CG1-CH2 3.41Å; V286-W573 HydrophobicContact CG1-CZ2 4.27Å; V286-W573 HydrophobicContact CG1-CZ3 4.21Å; V286-W573 HydrophobicContact CG2-CH2 3.78Å; V286-W573 HydrophobicContact CG2-CZ2 4.19Å; V286-W573 HydrophobicContact CG2-CZ3 4.47Å; V286-L575 HydrophobicContact CG2-CD2 4.2Å
287	C	95.7	Very high	85.4	Confident	0 Å²	0	54 Å²	54	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	151.3	167.4	59.1	0	0	0	0	111.6	M268 M269 I270 V295 Y296 L298 L586	M268-C287 HydrophobicContact CB-CB 4.16Å; M268-C287 HydrophobicContact SD-CB 4.32Å; M268-C287 VanDerWaalsContact SD-SG 3.62Å; M269-C287 CarbonylContact O-C 3.52Å; M269-C287 WeakPolarHBondContact O-CA 3.3Å; M269-C287 WeakPolarHBondContact O-CB 3.35Å; I270-C287 HydrophobicContact CG1-CB 4.12Å; C287-V295 CarbonylContact O-C 3.56Å; C287-V295 VanDerWaalsContact O-CA 3.31Å; C287-V295 WeakPolarHBondContact O-CA 3.1Å; C287-Y296 PolarHBondContact N-O 3.35Å; C287-Y296 PolarHBondContact O-N 2.91Å; C287-L298 HydrophobicContact CB-CD1 3.92Å; C287-L298 HydrophobicContact CB-CG 4.3Å; C287-L586 HydrophobicContact CB-CD1 3.81Å; C287-L586 VanDerWaalsContact SG-CD1 3.53Å
288	Y	95.6	Very high	86.5	Confident	3 Å²	3	51.5 Å²	51.5	1%	0.012	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	126.1	176.6	172.4	-113.4	0	0	0	109.4	M268 M269 P290 K294 V295 Q565 I567 V571	M268-Y288 CarbonylContact C-O 3.43Å; M268-Y288 VanDerWaalsContact CA-O 3.29Å; M268-Y288 WeakPolarHBondContact CA-O 3.34Å; M268-Y288 WeakPolarHBondContact CB-O 3.12Å; M269-Y288 PolarHBondContact N-O 3.39Å; M269-Y288 PolarHBondContact O-N 3.18Å; Y288-P290 HydrophobicContact CD1-CG 4.12Å; Y288-P290 HydrophobicContact CE1-CB 4.11Å; Y288-P290 HydrophobicContact CE1-CG 4.02Å; Y288-P290 WeakPolarHBondContact O-CD 3.37Å; Y288-K294 WeakPolarHBondContact CA-O 3.46Å; Y288-K294 WeakPolarHBondContact CD2-O 3.29Å; Y288-V295 HydrophobicContact CD2-CG2 3.81Å; Y288-Q565 PolarHBondContact OH-NE2 2.76Å; Y288-Q565 VanDerWaalsContact OH-NE2 3.11Å; Y288-Q565 PolarHBondContact OH-OE1 2.83Å; Y288-I567 HydrophobicContact CD1-CD1 4.06Å; Y288-I567 HydrophobicContact CE1-CD1 3.61Å; Y288-I567 HydrophobicContact CE1-CG1 3.97Å; Y288-I567 HydrophobicContact CE2-CG2 4.28Å; Y288-V571 HydrophobicContact CD2-CG1 4.35Å; Y288-V571 HydrophobicContact CE2-CG1 3.99Å
289	S	95.2	Very high	87.8	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	111.5	168.5	174.8	0	0	0	0	109	E266 Q291 A292 E293 K294	E266-S289 WeakPolarHBondContact OE2-CB 3.42Å; E266-S289 PolarHBondContact OE2-OG 2.95Å; S289-Q291 PolarHBondContact O-N 3.28Å; S289-A292 PolarHBondContact OG-N 2.99Å; S289-E293 VanDerWaalsContact O-CA 3.27Å; S289-E293 WeakPolarHBondContact O-CA 3.31Å; S289-E293 PolarHBondContact O-N 3.46Å; S289-K294 PolarHBondContact N-O 3.29Å; S289-K294 PolarHBondContact O-N 3.48Å
290	P	93.4	Very high	89.2	Confident	16 Å²	16	46 Å²	46	10%	0.104	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-26.2	175.3	-21.9	35.6	0	0	0	112.9	E267 M269 Y288 I530 Q565	E267-P290 WeakPolarHBondContact O-CD 3.37Å; M269-P290 HydrophobicContact CE-CG 4.41Å; Y288-P290 HydrophobicContact CD1-CG 4.12Å; Y288-P290 HydrophobicContact CE1-CB 4.11Å; Y288-P290 HydrophobicContact CE1-CG 4.02Å; Y288-P290 WeakPolarHBondContact O-CD 3.37Å; P290-I530 HydrophobicContact CG-CD1 3.75Å; P290-Q565 PolarHBondContact O-NE2 3.35Å
291	Q	91.5	Very high	90.7	Very high	120 Å²	120	40.9 Å²	40.9	56%	0.561	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-45.4	-177	-63.2	167.3	17.6	0	0	111.4	S289	S289-Q291 PolarHBondContact O-N 3.28Å
292	A	92.1	Very high	91.8	Very high	39 Å²	39	40.7 Å²	40.7	32%	0.322	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-12.8	177.3	0	0	0	0	0	113	S289 K294	S289-A292 PolarHBondContact OG-N 2.99Å; A292-K294 HydrophobicContact CB-CB 4.21Å; A292-K294 HydrophobicContact CB-CD 4.25Å; A292-K294 HydrophobicContact CB-CG 4.26Å; A292-K294 WeakPolarHBondContact O-CG 3.5Å; A292-K294 PolarHBondContact O-N 3.27Å
293	E	92.7	Very high	92.5	Very high	107 Å²	107	38.1 Å²	38.1	50%	0.5	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.1	38.8	-170.3	-47.6	-159	142.3	0	0	113	S289 Q565 V571	S289-E293 VanDerWaalsContact O-CA 3.27Å; S289-E293 WeakPolarHBondContact O-CA 3.31Å; S289-E293 PolarHBondContact O-N 3.46Å; E293-Q565 PolarHBondContact OE1-NE2 3.02Å; E293-V571 VanDerWaalsContact O-CG1 3.29Å; E293-V571 WeakPolarHBondContact O-CG1 3.18Å
294	K	93.3	Very high	92.7	Very high	75 Å²	75	39.5 Å²	39.5	33%	0.326	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	149.5	-174.8	-75.5	-179.4	174.5	-146.9	0	112.1	Y288 S289 A292 Y296 E593	Y288-K294 WeakPolarHBondContact CA-O 3.46Å; Y288-K294 WeakPolarHBondContact CD2-O 3.29Å; S289-K294 PolarHBondContact N-O 3.29Å; S289-K294 PolarHBondContact O-N 3.48Å; A292-K294 HydrophobicContact CB-CB 4.21Å; A292-K294 HydrophobicContact CB-CD 4.25Å; A292-K294 HydrophobicContact CB-CG 4.26Å; A292-K294 WeakPolarHBondContact O-CG 3.5Å; A292-K294 PolarHBondContact O-N 3.27Å; K294-Y296 HydrophobicContact CB-CE2 3.78Å; K294-E593 IonicContact NZ-OE1 3.64Å; K294-E593 IonicContact NZ-OE2 3.7Å; K294-E593 PolarHBondContact NZ-OE2 3.25Å
295	V	94.1	Very high	92.9	Very high	4 Å²	4	38.7 Å²	38.7	2%	0.024	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	135	172.6	178	0	0	0	0	108.7	V286 C287 Y288 V571 L572 W573 S594	V286-V295 HydrophobicContact CB-CG1 4.01Å; V286-V295 HydrophobicContact CG1-CG1 4.27Å; V286-V295 HydrophobicContact CG2-CG1 4.4Å; C287-V295 CarbonylContact O-C 3.56Å; C287-V295 VanDerWaalsContact O-CA 3.31Å; C287-V295 WeakPolarHBondContact O-CA 3.1Å; Y288-V295 HydrophobicContact CD2-CG2 3.81Å; V295-V571 HydrophobicContact CG2-CG1 3.78Å; V295-V571 VanDerWaalsContact CG2-O 3.27Å; V295-V571 WeakPolarHBondContact CG2-O 3.45Å; V295-L572 HydrophobicContact CG1-CD1 4.28Å; V295-L572 HydrophobicContact CG2-CB 4.28Å; V295-L572 HydrophobicContact CG2-CD1 3.6Å; V295-W573 HydrophobicContact CG1-CZ3 4.05Å; V295-S594 PolarHBondContact O-N 3.14Å
296	Y	95.1	Very high	92.8	Very high	18 Å²	18	39.4 Å²	39.4	7%	0.071	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	149.4	178.1	-57.9	-90.1	0	0	0	110.9	M268 V286 C287 K294 P588 L591 E592 E593	M268-Y296 HydrophobicContact CE-CD2 4.18Å; M268-Y296 HydrophobicContact CE-CE2 3.98Å; M268-Y296 HydrophobicContact SD-CD2 4.02Å; M268-Y296 HydrophobicContact SD-CE2 4.34Å; V286-Y296 WeakPolarHBondContact CA-O 3.41Å; V286-Y296 WeakPolarHBondContact CB-O 2.97Å; V286-Y296 WeakPolarHBondContact CG1-O 3.46Å; C287-Y296 PolarHBondContact N-O 3.35Å; C287-Y296 PolarHBondContact O-N 2.91Å; K294-Y296 HydrophobicContact CB-CE2 3.78Å; Y296-P588 HydrophobicContact CE1-CB 4.46Å; Y296-L591 HydrophobicContact CD1-CB 3.8Å; Y296-L591 HydrophobicContact CG-CB 4.03Å; Y296-L591 HydrophobicContact CG-CD1 4.2Å; Y296-E592 CarbonylContact C-O 3.58Å; Y296-E592 VanDerWaalsContact CA-O 3.27Å; Y296-E592 WeakPolarHBondContact CA-O 3.01Å; Y296-E593 HydrophobicContact CD1-CB 4.4Å; Y296-E593 HydrophobicContact CE1-CB 4.46Å
297	K	93.2	Very high	92.6	Very high	80 Å²	80	42.7 Å²	42.7	35%	0.348	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	129.9	176	-74	-178.4	171	170.3	0	111.2	N358 E592 P595	K297-N358 PolarHBondContact O-ND2 2.82Å; K297-N358 VanDerWaalsContact O-ND2 3.08Å; K297-E592 PolarHBondContact N-O 2.91Å; K297-P595 VanDerWaalsContact NZ-CD 3.25Å
298	L	94.1	Very high	92.5	Very high	12 Å²	12	42.7 Å²	42.7	6%	0.063	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	146.7	167.8	-60.4	178.2	0	0	0	109.9	I270 S285 C287 S300 F353 N358 L586 L591	I270-L298 HydrophobicContact CG2-CD1 3.72Å; S285-L298 PolarHBondContact O-N 2.98Å; S285-L298 VanDerWaalsContact O-O 3.06Å; C287-L298 HydrophobicContact CB-CD1 3.92Å; C287-L298 HydrophobicContact CB-CG 4.3Å; L298-S300 PolarHBondContact O-N 2.85Å; L298-F353 HydrophobicContact CB-CZ 4.5Å; L298-F353 HydrophobicContact CD2-CE1 4.13Å; L298-F353 HydrophobicContact CD2-CZ 3.79Å; L298-N358 VanDerWaalsContact CA-OD1 3.31Å; L298-N358 WeakPolarHBondContact CA-OD1 3.49Å; L298-L586 HydrophobicContact CD2-CD1 4.08Å; L298-L591 HydrophobicContact CD2-CD1 4.39Å; L298-L591 HydrophobicContact CD2-CD2 3.76Å
299	C	93.4	Very high	92.5	Very high	49 Å²	49	42.6 Å²	42.6	33%	0.331	24%	0.236	S	C	.	.	P	Polyproline II helix	trans	-57.5	133	170.2	178.9	0	0	0	0	109.5	N358 W360	C299-N358 WeakPolarHBondContact CB-O 3.42Å; C299-N358 PolarHBondContact N-OD1 2.84Å; C299-W360 PolarHBondContact O-NE1 3.28Å
300	S	92.2	Very high	92.5	Very high	56 Å²	56	43.9 Å²	43.9	39%	0.392	24%	0.243	S	C	.	.	P	Polyproline II helix	trans	-73.7	147.2	-179.2	-64.1	0	0	0	0	110.1	L298	L298-S300 PolarHBondContact O-N 2.85Å
301	P	93	Very high	92.7	Very high	12 Å²	12	43.6 Å²	43.6	8%	0.078	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-50.2	141.2	175.2	-31.4	36.7	0	0	0	112.2	I272 S285 L305 I320	I272-P301 HydrophobicContact CG2-CG 4.12Å; S285-P301 VanDerWaalsContact OG-CD 3.25Å; S285-P301 WeakPolarHBondContact OG-CD 3.28Å; P301-L305 HydrophobicContact CB-CB 3.87Å; P301-L305 HydrophobicContact CB-CD2 4.5Å; P301-I320 HydrophobicContact CB-CD1 3.84Å; P301-I320 HydrophobicContact CG-CD1 3.98Å
302	P	91.7	Very high	92.9	Very high	41 Å²	41	39.3 Å²	39.3	27%	0.266	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-58.1	150.5	-177.6	-26.7	36.4	0	0	0	113.2	D304 L305 Y351 W360	P302-D304 VanDerWaalsContact C-N 3.26Å; P302-D304 PolarHBondContact O-N 2.82Å; P302-L305 VanDerWaalsContact O-CB 3.24Å; P302-L305 WeakPolarHBondContact O-CB 3.45Å; P302-L305 PolarHBondContact O-N 2.64Å; P302-Y351 HydrophobicContact CB-CE1 4.24Å; P302-Y351 HydrophobicContact CG-CD1 4.01Å; P302-Y351 HydrophobicContact CG-CE1 3.7Å; P302-Y351 HydrophobicContact CG-CE2 4.42Å; P302-W360 HydrophobicContact CG-CB 3.85Å; P302-W360 HydrophobicContact CG-CG 4.48Å
303	A	88.4	Confident	93.1	Very high	74 Å²	74	38.1 Å²	38.1	61%	0.612	21%	0.212	S	C	*	.	G	3₁₀ helix	trans	56.5	32.3	174.1	0	0	0	0	0	115.4	L305 V325	A303-L305 PolarHBondContact O-N 2.8Å; A303-V325 HydrophobicContact CB-CG1 4.31Å
304	D	87.8	Confident	93	Very high	97 Å²	97	38.5 Å²	38.5	52%	0.519	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	54	44.5	-177.6	-52.6	-44.2	0	0	0	111.5	P302 H306 P326	P302-D304 VanDerWaalsContact C-N 3.26Å; P302-D304 PolarHBondContact O-N 2.82Å; D304-H306 PolarHBondContact O-CD2 2.69Å; D304-H306 PolarHBondContact O-CE1 3.15Å; D304-H306 PolarHBondContact O-N 3.33Å; D304-H306 PolarHBondContact O-NE2 2.99Å; D304-H306 VanDerWaalsContact O-NE2 3.08Å; D304-P326 HydrophobicContact CB-CG 3.96Å; D304-P326 WeakPolarHBondContact O-CD 3.47Å
305	L	91.5	Very high	92.8	Very high	3 Å²	3	40.4 Å²	40.4	2%	0.016	24%	0.237	C	C	.	.			trans	-69.3	129.5	-178.7	-175.4	69.2	0	0	0	110.7	P301 P302 A303 V308 I320 G322 V325 V347 C349 Y351	P301-L305 HydrophobicContact CB-CB 3.87Å; P301-L305 HydrophobicContact CB-CD2 4.5Å; P302-L305 VanDerWaalsContact O-CB 3.24Å; P302-L305 WeakPolarHBondContact O-CB 3.45Å; P302-L305 PolarHBondContact O-N 2.64Å; A303-L305 PolarHBondContact O-N 2.8Å; L305-V308 HydrophobicContact CD1-CG1 4.37Å; L305-V308 HydrophobicContact CD2-CG1 3.45Å; L305-V308 VanDerWaalsContact CD2-CG1 3.45Å; L305-V308 HydrophobicContact CG-CG1 3.45Å; L305-V308 VanDerWaalsContact CG-CG1 3.45Å; L305-I320 HydrophobicContact CD2-CD1 4.28Å; L305-G322 WeakPolarHBondContact CD1-O 3.3Å; L305-V325 HydrophobicContact CB-CG1 4.42Å; L305-V325 HydrophobicContact CD1-CG1 3.67Å; L305-V347 HydrophobicContact CD1-CG2 3.44Å; L305-V347 VanDerWaalsContact CD1-CG2 3.44Å; L305-C349 WeakPolarHBondContact CD2-SG 3.43Å; L305-Y351 HydrophobicContact CD2-CD2 4.33Å; L305-Y351 HydrophobicContact CD2-CE2 4.2Å
306	H	90.3	Very high	92.7	Very high	18 Å²	18	41.2 Å²	41.2	8%	0.083	24%	0.242	C	C	.	.	B	Isolated β-bridge	trans	-131.3	167.9	-179.7	-54.5	-48	0	0	0	111.6	Y283 D304 V308 G323 Q324	Y283-H306 AromaticContact CD2-CD2 3.99Å; Y283-H306 AromaticContact CD2-CE1 3.16Å; Y283-H306 WeakPolarHBondContact CD2-CE1 3.39Å; Y283-H306 AromaticContact CD2-CG 3.88Å; Y283-H306 AromaticContact CD2-ND1 3.35Å; Y283-H306 VanDerWaalsContact CD2-ND1 3.35Å; Y283-H306 WeakPolarHBondContact CD2-ND1 3.49Å; Y283-H306 AromaticContact CD2-NE2 3.52Å; Y283-H306 AromaticContact CE2-CE1 3.97Å; Y283-H306 AromaticContact CE2-ND1 3.96Å; Y283-H306 AromaticContact CE2-NE2 3.97Å; Y283-H306 AromaticContact CG-CE1 3.84Å; Y283-H306 AromaticContact CG-ND1 3.84Å; D304-H306 PolarHBondContact O-CD2 2.69Å; D304-H306 PolarHBondContact O-CE1 3.15Å; D304-H306 PolarHBondContact O-N 3.33Å; D304-H306 PolarHBondContact O-NE2 2.99Å; D304-H306 VanDerWaalsContact O-NE2 3.08Å; H306-V308 VanDerWaalsContact C-N 3.29Å; H306-V308 PolarHBondContact O-N 3.35Å; H306-G323 CarbonylContact O-C 3.57Å; H306-G323 WeakPolarHBondContact O-CA 3.45Å; H306-Q324 HydrophobicContact CB-CG 4.44Å; H306-Q324 PolarHBondContact N-O 3.08Å; H306-Q324 PolarHBondContact O-N 2.63Å
307	K	90.9	Very high	92.6	Very high	72 Å²	72	40.8 Å²	40.8	31%	0.313	24%	0.241	S	C	.	.	S	Bend	trans	54.3	42.2	-177.6	-59.5	-170.8	-175.9	169.7	0	112.7	E273 G323 Q324 I371 K372	E273-K307 WeakPolarHBondContact OE1-CA 3.33Å; E273-K307 PolarHBondContact OE1-N 3.19Å; E273-K307 WeakPolarHBondContact OE2-CA 3.4Å; E273-K307 PolarHBondContact OE2-N 3.28Å; K307-G323 WeakPolarHBondContact O-CA 3.05Å; K307-Q324 HydrophobicContact CB-CG 4.39Å; K307-Q324 HydrophobicContact CD-CG 4.31Å; K307-Q324 HydrophobicContact CG-CG 4.39Å; K307-I371 HydrophobicContact CB-CG2 3.57Å; K307-I371 HydrophobicContact CD-CG2 3.59Å; K307-I371 HydrophobicContact CG-CG2 4.25Å; K307-K372 HydrophobicContact CB-CD 4.49Å; K307-K372 HydrophobicContact CB-CG 3.75Å; K307-K372 HydrophobicContact CG-CG 4.37Å; K307-K372 WeakPolarHBondContact O-CA 3.27Å; K307-K372 PolarHBondContact O-N 2.93Å
308	V	94.2	Very high	92.8	Very high	0 Å²	0	37 Å²	37	0%	0	22%	0.224	C	C	.	.			trans	-80.2	158.5	-179.2	-57.7	0	0	0	0	111.9	I272 E273 L305 H306 T310 I320	I272-V308 HydrophobicContact CG2-CG2 3.85Å; E273-V308 PolarHBondContact OE1-N 3.48Å; L305-V308 HydrophobicContact CD1-CG1 4.37Å; L305-V308 HydrophobicContact CD2-CG1 3.45Å; L305-V308 VanDerWaalsContact CD2-CG1 3.45Å; L305-V308 HydrophobicContact CG-CG1 3.45Å; L305-V308 VanDerWaalsContact CG-CG1 3.45Å; H306-V308 VanDerWaalsContact C-N 3.29Å; H306-V308 PolarHBondContact O-N 3.35Å; V308-T310 HydrophobicContact CG2-CG2 4.05Å; V308-I320 HydrophobicContact CB-CB 4.28Å; V308-I320 HydrophobicContact CG2-CB 4.13Å; V308-I320 HydrophobicContact CG2-CG2 4.12Å
309	G	94.2	Very high	93	Very high	2 Å²	2	37 Å²	37	2%	0.021	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	151.4	157.2	0	0	0	0	0	109.7	I320 A321 P373 L375	G309-I320 WeakPolarHBondContact O-CA 2.87Å; G309-A321 PolarHBondContact N-O 3.04Å; G309-A321 PolarHBondContact O-N 2.74Å; G309-P373 VanDerWaalsContact CA-O 3.29Å; G309-P373 WeakPolarHBondContact CA-O 3.13Å; G309-L375 WeakPolarHBondContact O-CD1 3.38Å
310	T	96.1	Very high	93.1	Very high	26 Å²	26	34.7 Å²	34.7	16%	0.16	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	137.5	-178.8	63.7	0	0	0	0	109.7	I272 V308 Y319 I320 R580	I272-T310 HydrophobicContact CB-CG2 4.35Å; I272-T310 HydrophobicContact CD1-CG2 3.76Å; I272-T310 HydrophobicContact CG1-CG2 4.34Å; V308-T310 HydrophobicContact CG2-CG2 4.05Å; T310-Y319 WeakPolarHBondContact CA-O 3.25Å; T310-I320 HydrophobicContact CG2-CG2 4.14Å; T310-R580 HydrophobicContact CG2-CB 4.1Å; T310-R580 HydrophobicContact CG2-CG 4.43Å
311	V	96.7	Very high	93.3	Very high	10 Å²	10	32 Å²	32	6%	0.061	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	146.1	173.3	63.2	0	0	0	0	110.4	Y319 L375 C377 I382	V311-Y319 PolarHBondContact N-O 3.4Å; V311-Y319 PolarHBondContact O-N 3.14Å; V311-L375 HydrophobicContact CB-CB 3.68Å; V311-L375 HydrophobicContact CG1-CB 3.91Å; V311-L375 HydrophobicContact CG1-CD1 4.06Å; V311-C377 HydrophobicContact CG2-CB 4.17Å; V311-I382 HydrophobicContact CG1-CD1 4.42Å; V311-I382 HydrophobicContact CG1-CG2 3.88Å
312	V	96.8	Very high	93.4	Very high	31 Å²	31	31.5 Å²	31.5	19%	0.188	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	125.6	168.2	-176	0	0	0	0	107.4	D317 I318 T582 V583	V312-D317 CarbonylContact C-O 3.53Å; V312-D317 VanDerWaalsContact CA-O 3.32Å; V312-D317 WeakPolarHBondContact CA-O 3.35Å; V312-I318 HydrophobicContact CG1-CG1 4.27Å; V312-I318 HydrophobicContact CG2-CB 4.46Å; V312-I318 HydrophobicContact CG2-CG1 3.78Å; V312-T582 HydrophobicContact CG2-CG2 3.83Å; V312-V583 WeakPolarHBondContact CG2-O 3.3Å
313	T	94.9	Very high	93.5	Very high	13 Å²	13	29.5 Å²	29.5	8%	0.08	17%	0.173	C	C	.	.			trans	-75.9	162.3	178.5	66.9	0	0	0	0	110.7	D315 N316 D317 Y319 C377 I382	T313-D315 PolarHBondContact O-N 2.86Å; T313-D315 PolarHBondContact OG1-N 3.4Å; T313-N316 WeakPolarHBondContact O-CA 3.16Å; T313-N316 PolarHBondContact O-N 3.13Å; T313-D317 HydrophobicContact CG2-CB 4.34Å; T313-D317 PolarHBondContact N-O 3.49Å; T313-D317 WeakPolarHBondContact OG1-CB 3.35Å; T313-D317 PolarHBondContact OG1-N 2.85Å; T313-Y319 HydrophobicContact CG2-CD2 3.98Å; T313-Y319 HydrophobicContact CG2-CE2 3.76Å; T313-C377 HydrophobicContact CG2-CB 4.47Å; T313-I382 HydrophobicContact CG2-CD1 4.02Å; T313-I382 HydrophobicContact CG2-CG1 4.27Å
314	P	91.2	Very high	93.7	Very high	116 Å²	116	27 Å²	27	75%	0.753	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-31.2	170.8	-27.5	36.5	0	0	0	113.5	N316 C377	P314-N316 PolarHBondContact O-N 3.36Å; P314-C377 VanDerWaalsContact CD-SG 3.54Å
315	D	88.8	Confident	93.9	Very high	114 Å²	114	23.7 Å²	23.7	61%	0.61	13%	0.132	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78	7.9	175.4	-60.3	-29.9	0	0	0	113.8	T313 D317	T313-D315 PolarHBondContact O-N 2.86Å; T313-D315 PolarHBondContact OG1-N 3.4Å; D315-D317 VanDerWaalsContact C-N 3.3Å; D315-D317 PolarHBondContact O-N 3.13Å
316	N	92.8	Very high	93.8	Very high	22 Å²	22	25.7 Å²	25.7	12%	0.118	15%	0.145	C	C	.	.			trans	66.8	24.9	178.8	-168.1	68.6	0	0	0	114.7	T313 P314 K585	T313-N316 WeakPolarHBondContact O-CA 3.16Å; T313-N316 PolarHBondContact O-N 3.13Å; P314-N316 PolarHBondContact O-N 3.36Å; N316-K585 PolarHBondContact ND2-O 2.92Å; N316-K585 WeakPolarHBondContact OD1-CA 3.38Å; N316-K585 VanDerWaalsContact OD1-CB 3.27Å; N316-K585 WeakPolarHBondContact OD1-CB 3.35Å; N316-K585 PolarHBondContact OD1-N 2.75Å
317	D	93.3	Very high	93.5	Very high	8 Å²	8	29 Å²	29	4%	0.043	16%	0.163	C	C	.	.			trans	-86.5	132.3	170.3	-64.9	-52.7	0	0	0	110.4	H158 K159 V312 T313 D315 Y319 W352	H158-D317 IonicContact CD2-OD1 3.63Å; H158-D317 IonicContact CE1-OD1 2.83Å; H158-D317 IonicContact NE2-OD1 3.57Å; H158-D317 PolarHBondContact NE2-OD1 3.29Å; K159-D317 WeakPolarHBondContact CE-OD2 3.15Å; K159-D317 IonicContact NZ-OD1 2.65Å; K159-D317 IonicContact NZ-OD2 2.96Å; K159-D317 PolarHBondContact NZ-OD2 3.21Å; V312-D317 CarbonylContact C-O 3.53Å; V312-D317 VanDerWaalsContact CA-O 3.32Å; V312-D317 WeakPolarHBondContact CA-O 3.35Å; T313-D317 HydrophobicContact CG2-CB 4.34Å; T313-D317 PolarHBondContact N-O 3.49Å; T313-D317 WeakPolarHBondContact OG1-CB 3.35Å; T313-D317 PolarHBondContact OG1-N 2.85Å; D315-D317 VanDerWaalsContact C-N 3.3Å; D315-D317 PolarHBondContact O-N 3.13Å; D317-Y319 HydrophobicContact CB-CD2 4.15Å; D317-Y319 HydrophobicContact CB-CE2 3.43Å; D317-Y319 VanDerWaalsContact CB-CE2 3.43Å; D317-W352 PolarHBondContact OD1-NE1 2.78Å
318	I	96.6	Very high	92.8	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.01	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	127.6	-178.9	-60.3	146.5	0	0	0	108.4	I270 V312 F353 W360 L586	I270-I318 HydrophobicContact CD1-CD1 3.51Å; I270-I318 HydrophobicContact CD1-CG1 4.02Å; V312-I318 HydrophobicContact CG1-CG1 4.27Å; V312-I318 HydrophobicContact CG2-CB 4.46Å; V312-I318 HydrophobicContact CG2-CG1 3.78Å; I318-F353 HydrophobicContact CB-CB 4.04Å; I318-F353 HydrophobicContact CD1-CD1 3.92Å; I318-F353 HydrophobicContact CG2-CB 4.21Å; I318-F353 PolarHBondContact O-N 3.18Å; I318-W360 HydrophobicContact CG2-CH2 4.25Å; I318-L586 HydrophobicContact CD1-CD2 3.67Å
319	Y	97.5	Very high	90.9	Very high	12 Å²	12	39.5 Å²	39.5	5%	0.047	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	149.2	178.2	-66.2	-93.5	0	0	0	112	T310 V311 T313 D317 F350 Y351 W352 I382	T310-Y319 WeakPolarHBondContact CA-O 3.25Å; V311-Y319 PolarHBondContact N-O 3.4Å; V311-Y319 PolarHBondContact O-N 3.14Å; T313-Y319 HydrophobicContact CG2-CD2 3.98Å; T313-Y319 HydrophobicContact CG2-CE2 3.76Å; D317-Y319 HydrophobicContact CB-CD2 4.15Å; D317-Y319 HydrophobicContact CB-CE2 3.43Å; D317-Y319 VanDerWaalsContact CB-CE2 3.43Å; Y319-F350 AromaticContact CD1-CE1 3.7Å; Y319-F350 HydrophobicContact CD1-CE1 3.7Å; Y319-F350 AromaticContact CD1-CE2 3.88Å; Y319-F350 HydrophobicContact CD1-CE2 3.88Å; Y319-F350 AromaticContact CD1-CZ 3.23Å; Y319-F350 HydrophobicContact CD1-CZ 3.23Å; Y319-F350 AromaticContact CE1-CE1 3.99Å; Y319-F350 HydrophobicContact CE1-CE1 3.99Å; Y319-F350 AromaticContact CE1-CZ 3.89Å; Y319-F350 HydrophobicContact CE1-CZ 3.89Å; Y319-F350 HydrophobicContact CG-CE2 4.16Å; Y319-F350 AromaticContact CG-CZ 3.76Å; Y319-F350 HydrophobicContact CG-CZ 3.76Å; Y319-Y351 VanDerWaalsContact CA-O 3.28Å; Y319-Y351 WeakPolarHBondContact CA-O 3.46Å; Y319-W352 HydrophobicContact CD1-CB 3.83Å; Y319-W352 HydrophobicContact CD1-CG 4.48Å; Y319-W352 HydrophobicContact CE1-CB 3.56Å; Y319-W352 AromaticContact CE1-CD1 3.83Å; Y319-W352 AromaticContact CE1-CG 3.99Å; Y319-W352 HydrophobicContact CE1-CG 3.99Å; Y319-W352 AromaticContact CZ-CD1 3.68Å; Y319-I382 HydrophobicContact CD1-CD1 4.28Å; Y319-I382 HydrophobicContact CD2-CD1 3.46Å; Y319-I382 VanDerWaalsContact CD2-CD1 3.46Å; Y319-I382 HydrophobicContact CE1-CD1 4.4Å; Y319-I382 HydrophobicContact CE2-CD1 3.61Å; Y319-I382 HydrophobicContact CG-CD1 3.81Å
320	I	97.1	Very high	88.5	Confident	0 Å²	0	45 Å²	45	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	144.9	168.6	62.8	177	0	0	0	110.9	I272 P301 L305 V308 G309 T310 F350 Y351 W360	I272-I320 HydrophobicContact CD1-CG2 3.51Å; P301-I320 HydrophobicContact CB-CD1 3.84Å; P301-I320 HydrophobicContact CG-CD1 3.98Å; L305-I320 HydrophobicContact CD2-CD1 4.28Å; V308-I320 HydrophobicContact CB-CB 4.28Å; V308-I320 HydrophobicContact CG2-CB 4.13Å; V308-I320 HydrophobicContact CG2-CG2 4.12Å; G309-I320 WeakPolarHBondContact O-CA 2.87Å; T310-I320 HydrophobicContact CG2-CG2 4.14Å; I320-F350 WeakPolarHBondContact O-CA 3.3Å; I320-F350 WeakPolarHBondContact O-CD2 3.34Å; I320-Y351 HydrophobicContact CD1-CD2 4.3Å; I320-Y351 HydrophobicContact CG1-CD2 4.27Å; I320-Y351 HydrophobicContact CG1-CG 4.48Å; I320-Y351 PolarHBondContact N-O 3.44Å; I320-Y351 PolarHBondContact O-N 3.29Å; I320-W360 HydrophobicContact CB-CH2 4.37Å; I320-W360 HydrophobicContact CB-CZ3 4.11Å; I320-W360 HydrophobicContact CD1-CD2 4Å; I320-W360 HydrophobicContact CD1-CE3 3.73Å; I320-W360 HydrophobicContact CD1-CH2 3.93Å; I320-W360 HydrophobicContact CD1-CZ2 4.18Å; I320-W360 HydrophobicContact CD1-CZ3 3.67Å; I320-W360 HydrophobicContact CG1-CE3 3.84Å; I320-W360 HydrophobicContact CG1-CH2 4.09Å; I320-W360 HydrophobicContact CG1-CZ3 3.52Å; I320-W360 HydrophobicContact CG2-CH2 3.46Å; I320-W360 VanDerWaalsContact CG2-CH2 3.46Å; I320-W360 HydrophobicContact CG2-CZ2 4.37Å; I320-W360 HydrophobicContact CG2-CZ3 3.64Å
321	A	96.3	Very high	85.9	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	147	-179.2	0	0	0	0	0	113.3	G309 C349 F350 M366 P373 L375	G309-A321 PolarHBondContact N-O 3.04Å; G309-A321 PolarHBondContact O-N 2.74Å; A321-C349 CarbonylContact C-O 3.45Å; A321-C349 WeakPolarHBondContact CA-O 3.49Å; A321-F350 HydrophobicContact CB-CD2 3.59Å; A321-F350 HydrophobicContact CB-CE2 4.09Å; A321-M366 HydrophobicContact CB-CE 4Å; A321-M366 HydrophobicContact CB-CG 4.49Å; A321-M366 HydrophobicContact CB-SD 3.7Å; A321-P373 WeakPolarHBondContact O-CG 3.46Å; A321-L375 HydrophobicContact CB-CD1 3.58Å; A321-L375 HydrophobicContact CB-CD2 3.92Å; A321-L375 HydrophobicContact CB-CG 4.28Å
322	G	94.5	Very high	83.2	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	31%	0.314	C	S	.	.			trans	68	-148	175.4	0	0	0	0	0	112.1	L305 V347 C349 R370	L305-G322 WeakPolarHBondContact CD1-O 3.3Å; G322-V347 WeakPolarHBondContact CA-O 3.35Å; G322-C349 PolarHBondContact N-O 3.14Å; G322-C349 PolarHBondContact O-SG 3.39Å; G322-R370 CarbonylContact C-O 3.44Å; G322-R370 WeakPolarHBondContact CA-O 3.19Å
323	G	93.4	Very high	80.4	Confident	0 Å²	0	64 Å²	64	0%	0	34%	0.34	C	S	.	.			trans	101.4	-158.1	-178.1	0	0	0	0	0	113.1	H306 K307 V347 R370	H306-G323 CarbonylContact O-C 3.57Å; H306-G323 WeakPolarHBondContact O-CA 3.45Å; K307-G323 WeakPolarHBondContact O-CA 3.05Å; G323-V347 WeakPolarHBondContact O-CG2 2.83Å; G323-V347 PolarHBondContact O-N 2.74Å; G323-R370 PolarHBondContact N-O 3.39Å
324	Q	92.6	Very high	77.9	Confident	21 Å²	21	72 Å²	72	10%	0.098	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	147	-179.5	62.7	176.4	26	0	0	110.2	H306 K307 F344 R345 I371	H306-Q324 HydrophobicContact CB-CG 4.44Å; H306-Q324 PolarHBondContact N-O 3.08Å; H306-Q324 PolarHBondContact O-N 2.63Å; K307-Q324 HydrophobicContact CB-CG 4.39Å; K307-Q324 HydrophobicContact CD-CG 4.31Å; K307-Q324 HydrophobicContact CG-CG 4.39Å; Q324-F344 HydrophobicContact CB-CB 4.22Å; Q324-F344 HydrophobicContact CG-CB 4.35Å; Q324-F344 HydrophobicContact CG-CD1 4.1Å; Q324-F344 HydrophobicContact CG-CG 4.44Å; Q324-R345 CarbonylContact C-O 3.54Å; Q324-R345 VanDerWaalsContact CA-O 3.22Å; Q324-R345 WeakPolarHBondContact CA-O 3.44Å; Q324-I371 HydrophobicContact CB-CD1 4.48Å
325	V	91.7	Very high	75.5	Confident	28 Å²	28	71.8 Å²	71.8	17%	0.17	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	145.6	176.3	-63.9	0	0	0	0	110	A303 L305 L327 F344 R345 V347	A303-V325 HydrophobicContact CB-CG1 4.31Å; L305-V325 HydrophobicContact CB-CG1 4.42Å; L305-V325 HydrophobicContact CD1-CG1 3.67Å; V325-L327 PolarHBondContact O-N 2.83Å; V325-F344 WeakPolarHBondContact O-CA 3.47Å; V325-R345 HydrophobicContact CG2-CB 4.32Å; V325-R345 PolarHBondContact N-O 2.96Å; V325-R345 PolarHBondContact O-N 3.07Å; V325-V347 HydrophobicContact CG1-CG1 4.37Å; V325-V347 HydrophobicContact CG1-CG2 4.4Å; V325-V347 HydrophobicContact CG2-CG1 3.86Å
326	P	89.5	Confident	73.2	Confident	45 Å²	45	75.9 Å²	75.9	29%	0.292	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	133.9	175.2	26.9	-32.9	0	0	0	110.4	D304 K328 F344	D304-P326 HydrophobicContact CB-CG 3.96Å; D304-P326 WeakPolarHBondContact O-CD 3.47Å; P326-K328 PolarHBondContact O-N 3.01Å; P326-F344 HydrophobicContact CB-CD1 4.33Å; P326-F344 HydrophobicContact CB-CE1 4.08Å
327	L	85.3	Confident	71	Confident	88 Å²	88	82 Å²	82	46%	0.461	43%	0.428	S	S	.	.			trans	-71.8	118.8	168.1	-75.1	156.1	0	0	0	107.6	V325 N329 A343 R345	V325-L327 PolarHBondContact O-N 2.83Å; L327-N329 PolarHBondContact O-N 3.19Å; L327-A343 HydrophobicContact CB-CB 4.31Å; L327-A343 WeakPolarHBondContact CB-O 3.41Å; L327-A343 HydrophobicContact CD1-CB 3.64Å; L327-A343 PolarHBondContact N-O 3.13Å; L327-R345 HydrophobicContact CD2-CB 4.25Å; L327-R345 HydrophobicContact CG-CB 4.22Å
328	K	74.4	Confident	68.6	Low	206 Å²	206	86 Å²	86	90%	0.896	46%	0.457	S	S	*	.			trans	-61.2	100.4	169	-70.8	-179.2	178.4	178.1	0	107.4	P326 T330	P326-K328 PolarHBondContact O-N 3.01Å; K328-T330 PolarHBondContact O-N 2.88Å
329	N	56.1	Low	66.2	Low	86 Å²	86	95.6 Å²	95.6	46%	0.46	50%	0.499	S	S	.	.			trans	-57.7	111.8	173.9	-83	-5.5	0	0	0	107.7	L327 K331 L340	L327-N329 PolarHBondContact O-N 3.19Å; N329-K331 PolarHBondContact O-N 3.42Å; N329-L340 VanDerWaalsContact ND2-CD2 3.31Å; N329-L340 WeakPolarHBondContact ND2-CD2 3.16Å
330	T	43	Very low	63.9	Low	116 Å²	116	101.3 Å²	101.3	71%	0.712	53%	0.529	S	S	*	.			trans	-51.5	124.8	156.7	35.8	0	0	0	0	105.8	K328 T332	K328-T330 PolarHBondContact O-N 2.88Å; T330-T332 PolarHBondContact O-N 3.22Å
331	K	42.4	Very low	62	Low	202 Å²	202	110 Å²	110	88%	0.878	57%	0.57	S	S	*	*			trans	-57	87.4	178.1	-70	176	176.6	175.4	0	109	N329 N333	N329-K331 PolarHBondContact O-N 3.42Å; K331-N333 PolarHBondContact O-N 3.16Å
332	T	39	Very low	60.7	Low	127 Å²	127	113.9 Å²	113.9	78%	0.779	59%	0.594	S	S	*	*			trans	-80.6	106.8	165.4	54.2	0	0	0	0	106.1	T330	T330-T332 PolarHBondContact O-N 3.22Å
333	N	37.3	Very low	60.2	Low	137 Å²	137	116 Å²	116	73%	0.733	61%	0.611	S	S	*	*			trans	-50.8	146.4	175.8	-72.5	-41.4	0	0	0	111.6	K331	K331-N333 PolarHBondContact O-N 3.16Å
334	H	42.8	Very low	60	Low	181 Å²	181	119.6 Å²	119.6	84%	0.838	63%	0.627	S	S	*	*			trans	78.7	90.7	165.9	-57.7	-68.3	0	0	0	118.7
335	S	41.1	Very low	60	Low	113 Å²	113	126 Å²	126	79%	0.79	65%	0.65	S	S	*	*				-178.1	135.2	104.9	55	0	0	0	0	109.8
336	K	41.6	Very low	60	Low	200 Å²	200	125.9 Å²	125.9	87%	0.87	65%	0.649	S	S	*	*	S	Bend	trans	-73.2	142.5	177	-68.9	173.9	174.9	177.5	0	108.5
337	T	45.2	Very low	60.2	Low	149 Å²	149	124.4 Å²	124.4	91%	0.914	64%	0.64	S	S	*	*	S	Bend	trans	91	17	163.8	79.7	0	0	0	0	121.6
338	S	43.9	Very low	60.7	Low	93 Å²	93	122.6 Å²	122.6	65%	0.65	63%	0.631	S	S	*	*	S	Bend	trans	-102.5	126.4	159.4	-178	0	0	0	0	109.1	L340	S338-L340 PolarHBondContact O-N 2.67Å
339	K	46.6	Very low	61.7	Low	204 Å²	204	113.7 Å²	113.7	89%	0.887	59%	0.594	S	S	*	*			trans	-51.8	106	168.7	-76.2	-179.3	177.8	178.9	0	106.5	Q341	K339-Q341 PolarHBondContact O-N 3.5Å
340	L	48.7	Very low	63.7	Low	132 Å²	132	109.7 Å²	109.7	69%	0.691	57%	0.573	S	S	*	*			trans	-60.6	101.1	-176.7	-146.5	83.8	0	0	0	106.8	N329 S338 T342	N329-L340 VanDerWaalsContact ND2-CD2 3.31Å; N329-L340 WeakPolarHBondContact ND2-CD2 3.16Å; S338-L340 PolarHBondContact O-N 2.67Å; L340-T342 PolarHBondContact O-N 3.08Å
341	Q	55.9	Low	66.2	Low	183 Å²	183	106.2 Å²	106.2	86%	0.855	55%	0.547	S	S	*	.			trans	-68.4	107	176.8	-164.3	173.9	9.7	0	0	105.7	K339 A343	K339-Q341 PolarHBondContact O-N 3.5Å; Q341-A343 PolarHBondContact O-N 2.94Å; Q341-A343 VanDerWaalsContact O-N 3.11Å
342	T	70.1	Confident	68.8	Low	80 Å²	80	98 Å²	98	49%	0.491	51%	0.51	S	S	.	.			trans	-58.9	117.3	177	36.5	0	0	0	0	108.1	L340 F344	L340-T342 PolarHBondContact O-N 3.08Å; T342-F344 WeakPolarHBondContact O-CD2 3.23Å; T342-F344 VanDerWaalsContact O-CE2 3.24Å; T342-F344 WeakPolarHBondContact O-CE2 3.23Å; T342-F344 WeakPolarHBondContact OG1-CE2 3.44Å
343	A	84.6	Confident	71.4	Confident	44 Å²	44	92.2 Å²	92.2	36%	0.364	47%	0.474	S	S	.	.			trans	-76.9	140.6	176.3	0	0	0	0	0	108.8	L327 Q341	L327-A343 HydrophobicContact CB-CB 4.31Å; L327-A343 WeakPolarHBondContact CB-O 3.41Å; L327-A343 HydrophobicContact CD1-CB 3.64Å; L327-A343 PolarHBondContact N-O 3.13Å; Q341-A343 PolarHBondContact O-N 2.94Å; Q341-A343 VanDerWaalsContact O-N 3.11Å
344	F	88.7	Confident	74	Confident	77 Å²	77	86 Å²	86	34%	0.338	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	145.3	179.9	-68.9	-89.2	0	0	0	110.3	Q324 V325 P326 T342	Q324-F344 HydrophobicContact CB-CB 4.22Å; Q324-F344 HydrophobicContact CG-CB 4.35Å; Q324-F344 HydrophobicContact CG-CD1 4.1Å; Q324-F344 HydrophobicContact CG-CG 4.44Å; V325-F344 WeakPolarHBondContact O-CA 3.47Å; P326-F344 HydrophobicContact CB-CD1 4.33Å; P326-F344 HydrophobicContact CB-CE1 4.08Å; T342-F344 WeakPolarHBondContact O-CD2 3.23Å; T342-F344 VanDerWaalsContact O-CE2 3.24Å; T342-F344 WeakPolarHBondContact O-CE2 3.23Å; T342-F344 WeakPolarHBondContact OG1-CE2 3.44Å
345	R	91.6	Very high	76.4	Confident	154 Å²	154	77.8 Å²	77.8	58%	0.581	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.4	127.1	171.7	170.9	179.9	158.1	-171.4	-6.1	109.4	Q324 V325 L327 V347	Q324-R345 CarbonylContact C-O 3.54Å; Q324-R345 VanDerWaalsContact CA-O 3.22Å; Q324-R345 WeakPolarHBondContact CA-O 3.44Å; V325-R345 HydrophobicContact CG2-CB 4.32Å; V325-R345 PolarHBondContact N-O 2.96Å; V325-R345 PolarHBondContact O-N 3.07Å; L327-R345 HydrophobicContact CD2-CB 4.25Å; L327-R345 HydrophobicContact CG-CB 4.22Å; R345-V347 HydrophobicContact CG-CG1 4.49Å
346	T	92.5	Very high	78.7	Confident	26 Å²	26	74 Å²	74	16%	0.16	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	139.3	171	-45.5	0	0	0	0	110.9	V369 I371 V390	T346-V369 HydrophobicContact CG2-CB 3.91Å; T346-V369 HydrophobicContact CG2-CG2 3.98Å; T346-I371 HydrophobicContact CG2-CD1 4Å; T346-I371 HydrophobicContact CG2-CG1 3.45Å; T346-I371 VanDerWaalsContact CG2-CG1 3.45Å; T346-V390 HydrophobicContact CG2-CG2 4.22Å; T346-V390 WeakPolarHBondContact OG1-CG2 3.16Å
347	V	94.3	Very high	81	Confident	14 Å²	14	67.7 Å²	67.7	9%	0.085	35%	0.348	C	S	.	.			trans	-129.4	162.4	-175.9	-66.2	0	0	0	0	111.7	L305 G322 G323 V325 R345 C349 R370	L305-V347 HydrophobicContact CD1-CG2 3.44Å; L305-V347 VanDerWaalsContact CD1-CG2 3.44Å; G322-V347 WeakPolarHBondContact CA-O 3.35Å; G323-V347 WeakPolarHBondContact O-CG2 2.83Å; G323-V347 PolarHBondContact O-N 2.74Å; V325-V347 HydrophobicContact CG1-CG1 4.37Å; V325-V347 HydrophobicContact CG1-CG2 4.4Å; V325-V347 HydrophobicContact CG2-CG1 3.86Å; R345-V347 HydrophobicContact CG-CG1 4.49Å; V347-C349 WeakPolarHBondContact CG2-SG 3.17Å; V347-R370 PolarHBondContact O-N 3.45Å
348	N	94.9	Very high	83.3	Confident	51 Å²	51	62 Å²	62	27%	0.273	31%	0.312	S	S	.	.			trans	-112.1	15	176.7	61.7	-28.2	0	0	0	112	P365 M366 F368 V369	N348-P365 CarbonylContact O-C 3.57Å; N348-P365 WeakPolarHBondContact O-CA 3.41Å; N348-P365 WeakPolarHBondContact O-CB 3.46Å; N348-M366 HydrophobicContact CB-CB 4.16Å; N348-M366 WeakPolarHBondContact CB-O 3.4Å; N348-M366 PolarHBondContact ND2-O 2.99Å; N348-M366 PolarHBondContact O-N 3.13Å; N348-F368 WeakPolarHBondContact CB-O 3.48Å; N348-V369 HydrophobicContact CB-CB 4.43Å; N348-V369 HydrophobicContact CB-CG1 3.88Å
349	C	96.1	Very high	85.7	Confident	19 Å²	19	60 Å²	60	13%	0.128	30%	0.296	C	S	.	.			trans	-61.5	152.5	-175.8	56.3	0	0	0	0	112.4	L305 A321 G322 V347 Y351	L305-C349 WeakPolarHBondContact CD2-SG 3.43Å; A321-C349 CarbonylContact C-O 3.45Å; A321-C349 WeakPolarHBondContact CA-O 3.49Å; G322-C349 PolarHBondContact N-O 3.14Å; G322-C349 PolarHBondContact O-SG 3.39Å; V347-C349 WeakPolarHBondContact CG2-SG 3.17Å; C349-Y351 HydrophobicContact CB-CD2 4.3Å; C349-Y351 HydrophobicContact CB-CE2 3.56Å
350	F	97.3	Very high	88.1	Confident	2 Å²	2	51.2 Å²	51.2	1%	0.009	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	130.8	179.2	-172.6	-128.3	0	0	0	109	Y319 I320 A321 K363 T364 I382 Y402 W409	Y319-F350 AromaticContact CD1-CE1 3.7Å; Y319-F350 HydrophobicContact CD1-CE1 3.7Å; Y319-F350 AromaticContact CD1-CE2 3.88Å; Y319-F350 HydrophobicContact CD1-CE2 3.88Å; Y319-F350 AromaticContact CD1-CZ 3.23Å; Y319-F350 HydrophobicContact CD1-CZ 3.23Å; Y319-F350 AromaticContact CE1-CE1 3.99Å; Y319-F350 HydrophobicContact CE1-CE1 3.99Å; Y319-F350 AromaticContact CE1-CZ 3.89Å; Y319-F350 HydrophobicContact CE1-CZ 3.89Å; Y319-F350 HydrophobicContact CG-CE2 4.16Å; Y319-F350 AromaticContact CG-CZ 3.76Å; Y319-F350 HydrophobicContact CG-CZ 3.76Å; I320-F350 WeakPolarHBondContact O-CA 3.3Å; I320-F350 WeakPolarHBondContact O-CD2 3.34Å; A321-F350 HydrophobicContact CB-CD2 3.59Å; A321-F350 HydrophobicContact CB-CE2 4.09Å; F350-K363 HydrophobicContact CD1-CB 3.47Å; F350-K363 VanDerWaalsContact CD1-CB 3.47Å; F350-K363 HydrophobicContact CD1-CG 4.36Å; F350-K363 HydrophobicContact CE1-CB 4.01Å; F350-K363 HydrophobicContact CE1-CG 4.49Å; F350-K363 HydrophobicContact CG-CB 4.35Å; F350-K363 PolarHBondContact O-N 2.95Å; F350-T364 WeakPolarHBondContact CB-O 3.12Å; F350-I382 HydrophobicContact CZ-CD1 4.07Å; F350-Y402 HydrophobicContact CD1-CD2 4.26Å; F350-Y402 HydrophobicContact CD1-CE2 4.08Å; F350-Y402 AromaticContact CE1-CD1 3.67Å; F350-Y402 HydrophobicContact CE1-CD1 3.67Å; F350-Y402 AromaticContact CE1-CD2 3.93Å; F350-Y402 HydrophobicContact CE1-CD2 3.93Å; F350-Y402 AromaticContact CE1-CE1 3.58Å; F350-Y402 HydrophobicContact CE1-CE1 3.58Å; F350-Y402 AromaticContact CE1-CE2 3.83Å; F350-Y402 HydrophobicContact CE1-CE2 3.83Å; F350-Y402 AromaticContact CE1-CG 3.83Å; F350-Y402 HydrophobicContact CE1-CG 3.83Å; F350-Y402 AromaticContact CE1-CZ 3.66Å; F350-Y402 HydrophobicContact CZ-CD1 4.03Å; F350-Y402 HydrophobicContact CZ-CE1 4.25Å; F350-Y402 HydrophobicContact CZ-CG 4.31Å; F350-W409 HydrophobicContact CB-CZ2 4.44Å; F350-W409 AromaticContact CD1-CZ2 3.87Å; F350-W409 HydrophobicContact CD1-CZ2 3.87Å; F350-W409 AromaticContact CD2-CZ2 3.77Å; F350-W409 HydrophobicContact CD2-CZ2 3.77Å; F350-W409 HydrophobicContact CE1-CZ2 4.01Å; F350-W409 HydrophobicContact CE2-CH2 4.35Å; F350-W409 AromaticContact CE2-CZ2 3.88Å; F350-W409 HydrophobicContact CE2-CZ2 3.88Å; F350-W409 AromaticContact CG-CZ2 3.78Å; F350-W409 HydrophobicContact CG-CZ2 3.78Å; F350-W409 HydrophobicContact CZ-CZ2 4Å
351	Y	96.7	Very high	90.1	Very high	43 Å²	43	48.2 Å²	48.2	17%	0.169	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	142	-176.9	-63	-88.3	0	0	0	111.1	P302 L305 Y319 I320 C349 W360 F361 P362	P302-Y351 HydrophobicContact CB-CE1 4.24Å; P302-Y351 HydrophobicContact CG-CD1 4.01Å; P302-Y351 HydrophobicContact CG-CE1 3.7Å; P302-Y351 HydrophobicContact CG-CE2 4.42Å; L305-Y351 HydrophobicContact CD2-CD2 4.33Å; L305-Y351 HydrophobicContact CD2-CE2 4.2Å; Y319-Y351 VanDerWaalsContact CA-O 3.28Å; Y319-Y351 WeakPolarHBondContact CA-O 3.46Å; I320-Y351 HydrophobicContact CD1-CD2 4.3Å; I320-Y351 HydrophobicContact CG1-CD2 4.27Å; I320-Y351 HydrophobicContact CG1-CG 4.48Å; I320-Y351 PolarHBondContact N-O 3.44Å; I320-Y351 PolarHBondContact O-N 3.29Å; C349-Y351 HydrophobicContact CB-CD2 4.3Å; C349-Y351 HydrophobicContact CB-CE2 3.56Å; Y351-W360 HydrophobicContact CD1-CB 4.37Å; Y351-F361 CarbonylContact C-O 3.54Å; Y351-F361 VanDerWaalsContact CA-O 3.28Å; Y351-F361 WeakPolarHBondContact CA-O 3.46Å; Y351-P362 HydrophobicContact CD1-CB 4.11Å; Y351-P362 HydrophobicContact CE1-CB 3.83Å
352	W	95.4	Very high	91.9	Very high	28 Å²	28	44 Å²	44	11%	0.106	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	140.2	168.5	169.6	63.6	0	0	0	109.2	H158 D317 Y319 D354 W360 F361 K363	H158-W352 AromaticContact CD2-CZ2 3.76Å; H158-W352 AromaticContact NE2-CZ2 3.65Å; D317-W352 PolarHBondContact OD1-NE1 2.78Å; Y319-W352 HydrophobicContact CD1-CB 3.83Å; Y319-W352 HydrophobicContact CD1-CG 4.48Å; Y319-W352 HydrophobicContact CE1-CB 3.56Å; Y319-W352 AromaticContact CE1-CD1 3.83Å; Y319-W352 AromaticContact CE1-CG 3.99Å; Y319-W352 HydrophobicContact CE1-CG 3.99Å; Y319-W352 AromaticContact CZ-CD1 3.68Å; W352-D354 HydrophobicContact CH2-CB 3.85Å; W352-D354 HydrophobicContact CZ2-CB 4.34Å; W352-D354 HydrophobicContact CZ3-CB 4.06Å; W352-W360 WeakPolarHBondContact O-CA 3.25Å; W352-F361 HydrophobicContact CE3-CB 3.88Å; W352-F361 HydrophobicContact CE3-CD2 4.13Å; W352-F361 HydrophobicContact CE3-CG 4.24Å; W352-F361 HydrophobicContact CZ3-CB 4.42Å; W352-F361 AromaticContact CZ3-CD2 3.97Å; W352-F361 HydrophobicContact CZ3-CD2 3.97Å; W352-F361 HydrophobicContact CZ3-CG 4.29Å; W352-F361 PolarHBondContact N-O 3.05Å; W352-F361 PolarHBondContact O-N 3.45Å; W352-K363 HydrophobicContact CB-CG 4.12Å
353	F	95.5	Very high	93.1	Very high	6 Å²	6	42.4 Å²	42.4	3%	0.026	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	118.8	176.8	-174.8	-111.2	0	0	0	111.1	L298 I318 A355 N358 W360 L586	L298-F353 HydrophobicContact CB-CZ 4.5Å; L298-F353 HydrophobicContact CD2-CE1 4.13Å; L298-F353 HydrophobicContact CD2-CZ 3.79Å; I318-F353 HydrophobicContact CB-CB 4.04Å; I318-F353 HydrophobicContact CD1-CD1 3.92Å; I318-F353 HydrophobicContact CG2-CB 4.21Å; I318-F353 PolarHBondContact O-N 3.18Å; F353-A355 HydrophobicContact CD1-CB 4.33Å; F353-A355 HydrophobicContact CE1-CB 4.2Å; F353-A355 PolarHBondContact O-N 2.88Å; F353-N358 HydrophobicContact CZ-CB 4.46Å; F353-N358 VanDerWaalsContact CZ-OD1 3.23Å; F353-N358 WeakPolarHBondContact CZ-OD1 3.31Å; F353-W360 HydrophobicContact CB-CD2 4.24Å; F353-W360 HydrophobicContact CB-CE3 3.72Å; F353-W360 HydrophobicContact CB-CH2 3.77Å; F353-W360 HydrophobicContact CB-CZ2 4.28Å; F353-W360 HydrophobicContact CB-CZ3 3.49Å; F353-W360 VanDerWaalsContact CB-CZ3 3.49Å; F353-W360 AromaticContact CD2-CD2 3.78Å; F353-W360 HydrophobicContact CD2-CD2 3.78Å; F353-W360 AromaticContact CD2-CE2 3.6Å; F353-W360 HydrophobicContact CD2-CE3 4.15Å; F353-W360 HydrophobicContact CD2-CG 4.22Å; F353-W360 HydrophobicContact CD2-CH2 4.2Å; F353-W360 AromaticContact CD2-CZ2 3.82Å; F353-W360 HydrophobicContact CD2-CZ2 3.82Å; F353-W360 HydrophobicContact CD2-CZ3 4.37Å; F353-W360 AromaticContact CD2-NE1 3.93Å; F353-W360 HydrophobicContact CG-CD2 4.47Å; F353-W360 HydrophobicContact CG-CE3 4.41Å; F353-W360 HydrophobicContact CG-CH2 4.19Å; F353-W360 HydrophobicContact CG-CZ2 4.24Å; F353-W360 HydrophobicContact CG-CZ3 4.3Å; F353-L586 HydrophobicContact CE1-CD2 4.12Å
354	D	91.7	Very high	93.6	Very high	8 Å²	8	42.6 Å²	42.6	4%	0.043	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	105	168.2	-178.3	-14.6	0	0	0	108.9	W352 Q356 Q357 N358 T359 F361	W352-D354 HydrophobicContact CH2-CB 3.85Å; W352-D354 HydrophobicContact CZ2-CB 4.34Å; W352-D354 HydrophobicContact CZ3-CB 4.06Å; D354-Q356 PolarHBondContact O-N 3.07Å; D354-Q356 WeakPolarHBondContact OD1-CA 3.45Å; D354-Q356 VanDerWaalsContact OD1-CB 3.3Å; D354-Q356 WeakPolarHBondContact OD1-CB 3.42Å; D354-Q356 PolarHBondContact OD1-N 3.2Å; D354-Q357 HydrophobicContact CB-CB 4.25Å; D354-Q357 PolarHBondContact O-N 2.69Å; D354-Q357 PolarHBondContact OD1-N 3.45Å; D354-Q357 VanDerWaalsContact OD1-N 3.13Å; D354-Q357 VanDerWaalsContact OD2-CD 3.29Å; D354-Q357 VanDerWaalsContact OD2-CG 3.29Å; D354-Q357 WeakPolarHBondContact OD2-CG 3.32Å; D354-Q357 PolarHBondContact OD2-NE2 3.31Å; D354-N358 WeakPolarHBondContact O-CA 3.37Å; D354-N358 PolarHBondContact O-N 3.39Å; D354-T359 PolarHBondContact N-O 3.03Å; D354-T359 PolarHBondContact O-N 3.32Å; D354-F361 HydrophobicContact CB-CD2 3.79Å; D354-F361 HydrophobicContact CB-CE2 3.61Å
355	A	91.7	Very high	94	Very high	7 Å²	7	42 Å²	42	6%	0.058	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-20.1	179.5	0	0	0	0	0	113.8	F353 L586 Y587	F353-A355 HydrophobicContact CD1-CB 4.33Å; F353-A355 HydrophobicContact CE1-CB 4.2Å; F353-A355 PolarHBondContact O-N 2.88Å; A355-L586 HydrophobicContact CB-CD2 3.54Å; A355-Y587 HydrophobicContact CB-CD2 4.04Å; A355-Y587 HydrophobicContact CB-CE2 3.83Å
356	Q	89.6	Confident	94.2	Very high	33 Å²	33	34.7 Å²	34.7	15%	0.154	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-40	176.6	-176.9	-175.5	0.7	0	0	110.9	N185 L261 D354 Y587	N185-Q356 VanDerWaalsContact CB-NE2 3.34Å; N185-Q356 PolarHBondContact ND2-NE2 3.26Å; N185-Q356 PolarHBondContact OD1-NE2 3.02Å; L261-Q356 HydrophobicContact CD2-CB 4.3Å; L261-Q356 HydrophobicContact CD2-CG 3.78Å; D354-Q356 PolarHBondContact O-N 3.07Å; D354-Q356 WeakPolarHBondContact OD1-CA 3.45Å; D354-Q356 VanDerWaalsContact OD1-CB 3.3Å; D354-Q356 WeakPolarHBondContact OD1-CB 3.42Å; D354-Q356 PolarHBondContact OD1-N 3.2Å; Q356-Y587 HydrophobicContact CB-CE2 4.45Å
357	Q	90.6	Very high	94.3	Very high	68 Å²	68	37.8 Å²	37.8	32%	0.318	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-5.7	177.6	-69.9	-177.3	58.8	0	0	113.8	D354 T359	D354-Q357 HydrophobicContact CB-CB 4.25Å; D354-Q357 PolarHBondContact O-N 2.69Å; D354-Q357 PolarHBondContact OD1-N 3.45Å; D354-Q357 VanDerWaalsContact OD1-N 3.13Å; D354-Q357 VanDerWaalsContact OD2-CD 3.29Å; D354-Q357 VanDerWaalsContact OD2-CG 3.29Å; D354-Q357 WeakPolarHBondContact OD2-CG 3.32Å; D354-Q357 PolarHBondContact OD2-NE2 3.31Å; Q357-T359 PolarHBondContact O-N 2.9Å; Q357-T359 PolarHBondContact O-OG1 3.16Å
358	N	94.3	Very high	94.2	Very high	30 Å²	30	40 Å²	40	16%	0.16	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	48	49.2	-170.9	-170.6	11.6	0	0	0	110.7	K297 L298 C299 F353 D354 L591	K297-N358 PolarHBondContact O-ND2 2.82Å; K297-N358 VanDerWaalsContact O-ND2 3.08Å; L298-N358 VanDerWaalsContact CA-OD1 3.31Å; L298-N358 WeakPolarHBondContact CA-OD1 3.49Å; C299-N358 WeakPolarHBondContact CB-O 3.42Å; C299-N358 PolarHBondContact N-OD1 2.84Å; F353-N358 HydrophobicContact CZ-CB 4.46Å; F353-N358 VanDerWaalsContact CZ-OD1 3.23Å; F353-N358 WeakPolarHBondContact CZ-OD1 3.31Å; D354-N358 WeakPolarHBondContact O-CA 3.37Å; D354-N358 PolarHBondContact O-N 3.39Å; N358-L591 HydrophobicContact CB-CD2 4.22Å
359	T	94.1	Very high	94.2	Very high	52 Å²	52	39.7 Å²	39.7	32%	0.319	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	143.7	-170.6	-65	0	0	0	0	111.8	D354 Q357 F361	D354-T359 PolarHBondContact N-O 3.03Å; D354-T359 PolarHBondContact O-N 3.32Å; Q357-T359 PolarHBondContact O-N 2.9Å; Q357-T359 PolarHBondContact O-OG1 3.16Å; T359-F361 HydrophobicContact CG2-CD2 4.49Å; T359-F361 HydrophobicContact CG2-CE2 4.06Å; T359-F361 HydrophobicContact CG2-CZ 4.39Å
360	W	95.4	Very high	94	Very high	19 Å²	19	38.8 Å²	38.8	7%	0.072	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	126.4	175.5	-65	98.6	0	0	0	111.7	I272 C299 P302 I318 I320 Y351 W352 F353	I272-W360 HydrophobicContact CD1-CH2 3.97Å; I272-W360 HydrophobicContact CD1-CZ2 4.1Å; C299-W360 PolarHBondContact O-NE1 3.28Å; P302-W360 HydrophobicContact CG-CB 3.85Å; P302-W360 HydrophobicContact CG-CG 4.48Å; I318-W360 HydrophobicContact CG2-CH2 4.25Å; I320-W360 HydrophobicContact CB-CH2 4.37Å; I320-W360 HydrophobicContact CB-CZ3 4.11Å; I320-W360 HydrophobicContact CD1-CD2 4Å; I320-W360 HydrophobicContact CD1-CE3 3.73Å; I320-W360 HydrophobicContact CD1-CH2 3.93Å; I320-W360 HydrophobicContact CD1-CZ2 4.18Å; I320-W360 HydrophobicContact CD1-CZ3 3.67Å; I320-W360 HydrophobicContact CG1-CE3 3.84Å; I320-W360 HydrophobicContact CG1-CH2 4.09Å; I320-W360 HydrophobicContact CG1-CZ3 3.52Å; I320-W360 HydrophobicContact CG2-CH2 3.46Å; I320-W360 VanDerWaalsContact CG2-CH2 3.46Å; I320-W360 HydrophobicContact CG2-CZ2 4.37Å; I320-W360 HydrophobicContact CG2-CZ3 3.64Å; Y351-W360 HydrophobicContact CD1-CB 4.37Å; W352-W360 WeakPolarHBondContact O-CA 3.25Å; F353-W360 HydrophobicContact CB-CD2 4.24Å; F353-W360 HydrophobicContact CB-CE3 3.72Å; F353-W360 HydrophobicContact CB-CH2 3.77Å; F353-W360 HydrophobicContact CB-CZ2 4.28Å; F353-W360 HydrophobicContact CB-CZ3 3.49Å; F353-W360 VanDerWaalsContact CB-CZ3 3.49Å; F353-W360 AromaticContact CD2-CD2 3.78Å; F353-W360 HydrophobicContact CD2-CD2 3.78Å; F353-W360 AromaticContact CD2-CE2 3.6Å; F353-W360 HydrophobicContact CD2-CE3 4.15Å; F353-W360 HydrophobicContact CD2-CG 4.22Å; F353-W360 HydrophobicContact CD2-CH2 4.2Å; F353-W360 AromaticContact CD2-CZ2 3.82Å; F353-W360 HydrophobicContact CD2-CZ2 3.82Å; F353-W360 HydrophobicContact CD2-CZ3 4.37Å; F353-W360 AromaticContact CD2-NE1 3.93Å; F353-W360 HydrophobicContact CG-CD2 4.47Å; F353-W360 HydrophobicContact CG-CE3 4.41Å; F353-W360 HydrophobicContact CG-CH2 4.19Å; F353-W360 HydrophobicContact CG-CZ2 4.24Å; F353-W360 HydrophobicContact CG-CZ3 4.3Å
361	F	92.1	Very high	93.7	Very high	68 Å²	68	39.8 Å²	39.8	30%	0.298	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	132.2	176.3	-75.4	-89	0	0	0	110.9	Y351 W352 D354 T359	Y351-F361 CarbonylContact C-O 3.54Å; Y351-F361 VanDerWaalsContact CA-O 3.28Å; Y351-F361 WeakPolarHBondContact CA-O 3.46Å; W352-F361 HydrophobicContact CE3-CB 3.88Å; W352-F361 HydrophobicContact CE3-CD2 4.13Å; W352-F361 HydrophobicContact CE3-CG 4.24Å; W352-F361 HydrophobicContact CZ3-CB 4.42Å; W352-F361 AromaticContact CZ3-CD2 3.97Å; W352-F361 HydrophobicContact CZ3-CD2 3.97Å; W352-F361 HydrophobicContact CZ3-CG 4.29Å; W352-F361 PolarHBondContact N-O 3.05Å; W352-F361 PolarHBondContact O-N 3.45Å; D354-F361 HydrophobicContact CB-CD2 3.79Å; D354-F361 HydrophobicContact CB-CE2 3.61Å; T359-F361 HydrophobicContact CG2-CD2 4.49Å; T359-F361 HydrophobicContact CG2-CE2 4.06Å; T359-F361 HydrophobicContact CG2-CZ 4.39Å
362	P	93.9	Very high	93.4	Very high	96 Å²	96	40 Å²	40	62%	0.623	21%	0.211	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-69	141.1	178.2	28.8	-33.5	0	0	0	111.2	Y351	Y351-P362 HydrophobicContact CD1-CB 4.11Å; Y351-P362 HydrophobicContact CE1-CB 3.83Å
363	K	94.4	Very high	93.3	Very high	46 Å²	46	38.9 Å²	38.9	20%	0.2	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	175.2	168.9	-70.7	-61.8	-169.7	176.4	0	109.8	F350 W352 P365	F350-K363 HydrophobicContact CD1-CB 3.47Å; F350-K363 VanDerWaalsContact CD1-CB 3.47Å; F350-K363 HydrophobicContact CD1-CG 4.36Å; F350-K363 HydrophobicContact CE1-CB 4.01Å; F350-K363 HydrophobicContact CE1-CG 4.49Å; F350-K363 HydrophobicContact CG-CB 4.35Å; F350-K363 PolarHBondContact O-N 2.95Å; W352-K363 HydrophobicContact CB-CG 4.12Å; K363-P365 WeakPolarHBondContact O-CD 3.42Å
364	T	94.5	Very high	93.2	Very high	48 Å²	48	39.3 Å²	39.3	29%	0.294	21%	0.211	S	C	.	.	P	Polyproline II helix	trans	-54.5	124.2	177.9	-67.4	0	0	0	0	109.9	F350 D407 W409	F350-T364 WeakPolarHBondContact CB-O 3.12Å; T364-D407 WeakPolarHBondContact CB-O 3.41Å; T364-D407 VanDerWaalsContact CB-OD1 3.3Å; T364-D407 WeakPolarHBondContact CB-OD1 3.27Å; T364-D407 PolarHBondContact N-OD1 2.85Å; T364-D407 VanDerWaalsContact OG1-CG 3.24Å; T364-D407 PolarHBondContact OG1-O 3.24Å; T364-D407 PolarHBondContact OG1-OD1 3.33Å; T364-D407 VanDerWaalsContact OG1-OD1 3.12Å; T364-D407 PolarHBondContact OG1-OD2 3.21Å; T364-W409 PolarHBondContact O-NE1 2.94Å
365	P	96.8	Very high	93.4	Very high	64 Å²	64	39.7 Å²	39.7	42%	0.416	21%	0.212	S	C	.	.	P	Polyproline II helix	trans	-61.2	152.1	178.4	-23.7	34.2	0	0	0	112.1	N348 K363	N348-P365 CarbonylContact O-C 3.57Å; N348-P365 WeakPolarHBondContact O-CA 3.41Å; N348-P365 WeakPolarHBondContact O-CB 3.46Å; K363-P365 WeakPolarHBondContact O-CD 3.42Å
366	M	96.2	Very high	93.6	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.005	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-56.3	153.6	170.2	-67.4	-178.7	-57.7	0	0	111	A321 N348 F368 R370 A384 W409	A321-M366 HydrophobicContact CB-CE 4Å; A321-M366 HydrophobicContact CB-CG 4.49Å; A321-M366 HydrophobicContact CB-SD 3.7Å; N348-M366 HydrophobicContact CB-CB 4.16Å; N348-M366 WeakPolarHBondContact CB-O 3.4Å; N348-M366 PolarHBondContact ND2-O 2.99Å; N348-M366 PolarHBondContact O-N 3.13Å; M366-F368 VanDerWaalsContact C-N 3.28Å; M366-F368 WeakPolarHBondContact CB-O 3.02Å; M366-F368 PolarHBondContact O-N 3.34Å; M366-R370 HydrophobicContact CE-CB 4.19Å; M366-R370 HydrophobicContact CE-CG 4.31Å; M366-A384 HydrophobicContact SD-CB 3.6Å; M366-A384 VanDerWaalsContact SD-CB 3.6Å; M366-W409 HydrophobicContact CB-CD2 4.47Å; M366-W409 HydrophobicContact CG-CD2 4.05Å; M366-W409 HydrophobicContact CG-CE3 4.28Å; M366-W409 HydrophobicContact CG-CH2 3.76Å; M366-W409 HydrophobicContact CG-CZ2 3.47Å; M366-W409 VanDerWaalsContact CG-CZ2 3.47Å; M366-W409 HydrophobicContact CG-CZ3 4.16Å; M366-W409 HydrophobicContact SD-CH2 4.28Å; M366-W409 HydrophobicContact SD-CZ2 4.46Å
367	L	94.9	Very high	94	Very high	90 Å²	90	39.3 Å²	39.3	47%	0.471	21%	0.213	S	C	.	.	S	Bend	trans	-67	-33.1	175.6	-56.4	175	0	0	0	111.3	E400 W409 M411	L367-E400 WeakPolarHBondContact CA-OE2 3.42Å; L367-E400 VanDerWaalsContact CB-OE2 3.28Å; L367-E400 WeakPolarHBondContact CB-OE2 3.32Å; L367-E400 PolarHBondContact N-OE2 2.74Å; L367-W409 HydrophobicContact CD1-CB 4.23Å; L367-W409 HydrophobicContact CD2-CB 4.2Å; L367-W409 HydrophobicContact CG-CB 3.77Å; L367-M411 HydrophobicContact CD1-CG 3.71Å; L367-M411 HydrophobicContact CD1-SD 3.94Å
368	F	92.7	Very high	94.3	Very high	62 Å²	62	36.2 Å²	36.2	27%	0.272	20%	0.199	S	C	.	.	S	Bend	trans	-119	146.6	179.1	-71.6	-93.4	0	0	0	112.8	N348 M366 T398 E400 M411	N348-F368 WeakPolarHBondContact CB-O 3.48Å; M366-F368 VanDerWaalsContact C-N 3.28Å; M366-F368 WeakPolarHBondContact CB-O 3.02Å; M366-F368 PolarHBondContact O-N 3.34Å; F368-T398 HydrophobicContact CD2-CG2 4.48Å; F368-T398 HydrophobicContact CE1-CG2 4.49Å; F368-T398 HydrophobicContact CE2-CG2 4.28Å; F368-T398 HydrophobicContact CZ-CG2 4.29Å; F368-E400 PolarHBondContact N-OE1 2.84Å; F368-M411 HydrophobicContact CD2-CE 4.39Å; F368-M411 HydrophobicContact CD2-SD 3.87Å; F368-M411 HydrophobicContact CE2-CE 3.97Å; F368-M411 HydrophobicContact CE2-SD 3.66Å
369	V	93.4	Very high	94.3	Very high	43 Å²	43	37.9 Å²	37.9	26%	0.261	21%	0.205	S	C	.	.			trans	-76.2	134.9	173.2	-54.9	0	0	0	0	110	T346 N348 S389 V390	T346-V369 HydrophobicContact CG2-CB 3.91Å; T346-V369 HydrophobicContact CG2-CG2 3.98Å; N348-V369 HydrophobicContact CB-CB 4.43Å; N348-V369 HydrophobicContact CB-CG1 3.88Å; V369-S389 VanDerWaalsContact O-CB 3.24Å; V369-S389 WeakPolarHBondContact O-CB 3.45Å; V369-V390 HydrophobicContact CG2-CB 4.07Å; V369-V390 HydrophobicContact CG2-CG2 4.18Å
370	R	92.4	Very high	94.2	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	22%	0.215	C	C	.	.			trans	-144	140	-174.8	-59.4	176.3	-175.3	-89.5	-1.2	110.9	G322 G323 V347 M366 P373 G386 T398 E400	G322-R370 CarbonylContact C-O 3.44Å; G322-R370 WeakPolarHBondContact CA-O 3.19Å; G323-R370 PolarHBondContact N-O 3.39Å; V347-R370 PolarHBondContact O-N 3.45Å; M366-R370 HydrophobicContact CE-CB 4.19Å; M366-R370 HydrophobicContact CE-CG 4.31Å; R370-P373 HydrophobicContact CB-CB 3.98Å; R370-P373 HydrophobicContact CB-CG 4.07Å; R370-G386 PolarHBondContact NH1-O 2.78Å; R370-T398 PolarHBondContact NH1-O 2.76Å; R370-T398 PolarHBondContact NH2-O 2.95Å; R370-T398 PolarHBondContact NH2-OG1 2.79Å; R370-E400 IonicContact CZ-OE1 2.66Å; R370-E400 VanDerWaalsContact CZ-OE1 3.28Å; R370-E400 IonicContact NE-OE1 3.67Å; R370-E400 PolarHBondContact NE-OE1 2.81Å; R370-E400 IonicContact NH2-OE1 3.08Å; R370-E400 PolarHBondContact NH2-OE1 3.17Å
371	I	91.6	Very high	94.3	Very high	23 Å²	23	40.3 Å²	40.3	12%	0.118	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-107.9	132	169.3	-60.7	-178.8	0	0	0	108.5	K307 Q324 T346 P373 G387 D388	K307-I371 HydrophobicContact CB-CG2 3.57Å; K307-I371 HydrophobicContact CD-CG2 3.59Å; K307-I371 HydrophobicContact CG-CG2 4.25Å; Q324-I371 HydrophobicContact CB-CD1 4.48Å; T346-I371 HydrophobicContact CG2-CD1 4Å; T346-I371 HydrophobicContact CG2-CG1 3.45Å; T346-I371 VanDerWaalsContact CG2-CG1 3.45Å; I371-P373 VanDerWaalsContact C-CD 3.43Å; I371-P373 VanDerWaalsContact C-N 3.35Å; I371-G387 CarbonylContact O-C 3.59Å; I371-G387 WeakPolarHBondContact O-CA 3.35Å; I371-D388 HydrophobicContact CB-CB 4.09Å; I371-D388 WeakPolarHBondContact CB-O 3.36Å; I371-D388 PolarHBondContact N-O 2.87Å; I371-D388 PolarHBondContact O-N 2.73Å
372	K	90.6	Very high	94.6	Very high	49 Å²	49	37 Å²	37	21%	0.213	21%	0.21	C	C	.	.	S	Bend	trans	48.7	47.1	-177	-63.6	-170.5	175.8	-175.8	0	112.8	K307 D578	K307-K372 HydrophobicContact CB-CD 4.49Å; K307-K372 HydrophobicContact CB-CG 3.75Å; K307-K372 HydrophobicContact CG-CG 4.37Å; K307-K372 WeakPolarHBondContact O-CA 3.27Å; K307-K372 PolarHBondContact O-N 2.93Å; K372-D578 IonicContact NZ-OD1 3.6Å; K372-D578 PolarHBondContact NZ-OD1 3.19Å; K372-D578 VanDerWaalsContact NZ-OD1 3.15Å
373	P	92.4	Very high	94.8	Very high	3 Å²	3	32.5 Å²	32.5	2%	0.019	18%	0.181	C	C	.	.			trans	-61	146.9	175	28.3	-34.2	0	0	0	110.7	G309 A321 R370 I371 L375	G309-P373 VanDerWaalsContact CA-O 3.29Å; G309-P373 WeakPolarHBondContact CA-O 3.13Å; A321-P373 WeakPolarHBondContact O-CG 3.46Å; R370-P373 HydrophobicContact CB-CB 3.98Å; R370-P373 HydrophobicContact CB-CG 4.07Å; I371-P373 VanDerWaalsContact C-CD 3.43Å; I371-P373 VanDerWaalsContact C-N 3.35Å; P373-L375 HydrophobicContact CB-CD2 4.5Å; P373-L375 HydrophobicContact CG-CD2 4.47Å; P373-L375 PolarHBondContact O-N 3.1Å
374	S	93.1	Very high	94.8	Very high	16 Å²	16	30.3 Å²	30.3	11%	0.112	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	119.3	166.4	-54.6	0	0	0	0	107.9	I385 S422	S374-I385 PolarHBondContact N-O 3.2Å; S374-I385 PolarHBondContact O-N 2.9Å; S374-S422 PolarHBondContact OG-O 2.97Å; S374-S422 PolarHBondContact OG-OG 2.65Å; S374-S422 VanDerWaalsContact OG-OG 3.14Å
375	L	96.1	Very high	94.7	Very high	15 Å²	15	28.1 Å²	28.1	8%	0.079	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	133.9	175.1	-62.5	-175.4	0	0	0	110.3	G309 V311 A321 P373 Y383 A384	G309-L375 WeakPolarHBondContact O-CD1 3.38Å; V311-L375 HydrophobicContact CB-CB 3.68Å; V311-L375 HydrophobicContact CG1-CB 3.91Å; V311-L375 HydrophobicContact CG1-CD1 4.06Å; A321-L375 HydrophobicContact CB-CD1 3.58Å; A321-L375 HydrophobicContact CB-CD2 3.92Å; A321-L375 HydrophobicContact CB-CG 4.28Å; P373-L375 HydrophobicContact CB-CD2 4.5Å; P373-L375 HydrophobicContact CG-CD2 4.47Å; P373-L375 PolarHBondContact O-N 3.1Å; L375-Y383 WeakPolarHBondContact CA-O 3.35Å; L375-A384 HydrophobicContact CD2-CB 3.68Å
376	V	96.8	Very high	94.2	Very high	9 Å²	9	25 Å²	25	6%	0.055	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	149.4	176.8	-66.5	0	0	0	0	110.8	I382 Y383 I385 A424 V426 I431	V376-I382 CarbonylContact O-C 3.57Å; V376-I382 WeakPolarHBondContact O-CA 3.46Å; V376-Y383 PolarHBondContact N-O 3.26Å; V376-Y383 PolarHBondContact O-N 2.97Å; V376-I385 HydrophobicContact CG2-CD1 3.82Å; V376-A424 HydrophobicContact CG1-CB 3.75Å; V376-V426 HydrophobicContact CB-CG2 3.7Å; V376-V426 HydrophobicContact CG1-CG2 4.25Å; V376-V426 HydrophobicContact CG2-CG2 4.08Å; V376-I431 HydrophobicContact CG2-CD1 3.94Å; V376-I431 HydrophobicContact CG2-CG1 4.25Å; V376-I431 HydrophobicContact CG2-CG2 3.78Å
377	C	97.5	Very high	93.6	Very high	24 Å²	24	25.3 Å²	25.3	16%	0.162	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	124.8	175.5	-173.1	0	0	0	0	109.7	V311 T313 P314 Y381	V311-C377 HydrophobicContact CG2-CB 4.17Å; T313-C377 HydrophobicContact CG2-CB 4.47Å; P314-C377 VanDerWaalsContact CD-SG 3.54Å; C377-Y381 CarbonylContact C-O 3.58Å; C377-Y381 WeakPolarHBondContact CA-O 3.31Å
378	C	97.1	Very high	92.9	Very high	3 Å²	3	23 Å²	23	2%	0.02	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	130.4	-176.3	-167.7	0	0	0	0	110.7	G380 Y381 Y383 V426 D429 I431	C378-G380 PolarHBondContact O-N 2.94Å; C378-Y381 PolarHBondContact N-O 3.43Å; C378-Y381 PolarHBondContact O-N 3.29Å; C378-Y383 HydrophobicContact CB-CD2 4.16Å; C378-Y383 HydrophobicContact CB-CE2 3.91Å; C378-V426 HydrophobicContact CB-CG1 4.03Å; C378-V426 HydrophobicContact CB-CG2 4.08Å; C378-D429 PolarHBondContact SG-O 2.87Å; C378-I431 HydrophobicContact CB-CD1 3.98Å; C378-I431 HydrophobicContact CB-CG1 3.84Å
379	E	94.1	Very high	91.9	Very high	65 Å²	65	20.9 Å²	20.9	30%	0.304	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.9	40.2	-175.6	-62.9	-165.7	129	0	0	113.6	Y381 D429 P444 R445	E379-Y381 VanDerWaalsContact C-N 3.3Å; E379-Y381 WeakPolarHBondContact O-CD2 3.23Å; E379-Y381 WeakPolarHBondContact O-CE2 3.26Å; E379-Y381 PolarHBondContact O-N 2.73Å; E379-D429 HydrophobicContact CG-CB 3.7Å; E379-P444 WeakPolarHBondContact OE2-CB 3.32Å; E379-R445 IonicContact OE1-CZ 3.28Å; E379-R445 VanDerWaalsContact OE1-CZ 3.3Å; E379-R445 IonicContact OE1-NE 2.84Å; E379-R445 PolarHBondContact OE1-NE 3.12Å; E379-R445 IonicContact OE1-NH2 2.83Å; E379-R445 PolarHBondContact OE1-NH2 2.96Å
380	G	92.4	Very high	90.6	Very high	50 Å²	50	23 Å²	23	52%	0.515	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.5	-4.9	179.7	0	0	0	0	0	115.9	C378	C378-G380 PolarHBondContact O-N 2.94Å
381	Y	97.3	Very high	89.5	Confident	71 Å²	71	25.9 Å²	25.9	28%	0.278	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	149.3	178.3	-59.7	-88.7	0	0	0	111.9	C377 C378 E379 Y402 D403	C377-Y381 CarbonylContact C-O 3.58Å; C377-Y381 WeakPolarHBondContact CA-O 3.31Å; C378-Y381 PolarHBondContact N-O 3.43Å; C378-Y381 PolarHBondContact O-N 3.29Å; E379-Y381 VanDerWaalsContact C-N 3.3Å; E379-Y381 WeakPolarHBondContact O-CD2 3.23Å; E379-Y381 WeakPolarHBondContact O-CE2 3.26Å; E379-Y381 PolarHBondContact O-N 2.73Å; Y381-Y402 WeakPolarHBondContact CA-O 3.42Å; Y381-D403 HydrophobicContact CD1-CB 4.08Å; Y381-D403 HydrophobicContact CE1-CB 3.87Å
382	I	98.1	Very high	88.7	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	122.4	173.3	-61.3	169.3	0	0	0	109.3	V311 T313 Y319 F350 V376 R401 Y402 T404	V311-I382 HydrophobicContact CG1-CD1 4.42Å; V311-I382 HydrophobicContact CG1-CG2 3.88Å; T313-I382 HydrophobicContact CG2-CD1 4.02Å; T313-I382 HydrophobicContact CG2-CG1 4.27Å; Y319-I382 HydrophobicContact CD1-CD1 4.28Å; Y319-I382 HydrophobicContact CD2-CD1 3.46Å; Y319-I382 VanDerWaalsContact CD2-CD1 3.46Å; Y319-I382 HydrophobicContact CE1-CD1 4.4Å; Y319-I382 HydrophobicContact CE2-CD1 3.61Å; Y319-I382 HydrophobicContact CG-CD1 3.81Å; F350-I382 HydrophobicContact CZ-CD1 4.07Å; V376-I382 CarbonylContact O-C 3.57Å; V376-I382 WeakPolarHBondContact O-CA 3.46Å; I382-R401 CarbonylContact O-C 3.51Å; I382-R401 VanDerWaalsContact O-CA 3.23Å; I382-R401 WeakPolarHBondContact O-CA 3.47Å; I382-Y402 HydrophobicContact CD1-CD1 4.2Å; I382-Y402 PolarHBondContact N-O 2.63Å; I382-Y402 VanDerWaalsContact N-O 3.1Å; I382-Y402 PolarHBondContact O-N 2.65Å; I382-T404 HydrophobicContact CD1-CG2 4.37Å
383	Y	97.6	Very high	87.9	Confident	1 Å²	1	31.9 Å²	31.9	0%	0.004	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	132.3	179.3	-67.8	-103.3	0	0	0	110.8	L375 V376 C378 V399 E400 R401 V412 I431 Y442	L375-Y383 WeakPolarHBondContact CA-O 3.35Å; V376-Y383 PolarHBondContact N-O 3.26Å; V376-Y383 PolarHBondContact O-N 2.97Å; C378-Y383 HydrophobicContact CB-CD2 4.16Å; C378-Y383 HydrophobicContact CB-CE2 3.91Å; Y383-V399 HydrophobicContact CD1-CG1 4.34Å; Y383-E400 CarbonylContact C-O 3.58Å; Y383-E400 WeakPolarHBondContact CA-O 3.42Å; Y383-R401 HydrophobicContact CD1-CB 3.72Å; Y383-R401 HydrophobicContact CD2-CB 4.43Å; Y383-R401 HydrophobicContact CE1-CB 3.62Å; Y383-R401 HydrophobicContact CE1-CG 4.42Å; Y383-R401 HydrophobicContact CE2-CB 4.35Å; Y383-R401 HydrophobicContact CG-CB 4.13Å; Y383-V412 HydrophobicContact CD1-CG2 4.37Å; Y383-V412 HydrophobicContact CE1-CG1 4.39Å; Y383-V412 HydrophobicContact CE1-CG2 4.31Å; Y383-I431 HydrophobicContact CD1-CD1 3.72Å; Y383-I431 HydrophobicContact CD2-CD1 3.45Å; Y383-I431 VanDerWaalsContact CD2-CD1 3.45Å; Y383-I431 HydrophobicContact CE1-CD1 4.04Å; Y383-I431 HydrophobicContact CE2-CD1 3.8Å; Y383-I431 HydrophobicContact CG-CD1 3.42Å; Y383-I431 VanDerWaalsContact CG-CD1 3.42Å; Y383-Y442 HydrophobicContact CD1-CE1 4.3Å; Y383-Y442 HydrophobicContact CE1-CD1 4.41Å; Y383-Y442 AromaticContact CE1-CE1 3.58Å; Y383-Y442 HydrophobicContact CE1-CE1 3.58Å
384	A	95.7	Very high	87	Confident	0 Å²	0	38 Å²	38	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	112.6	168.9	0	0	0	0	0	110.3	M366 L375 E400 W409	M366-A384 HydrophobicContact SD-CB 3.6Å; M366-A384 VanDerWaalsContact SD-CB 3.6Å; L375-A384 HydrophobicContact CD2-CB 3.68Å; A384-E400 HydrophobicContact CB-CG 3.92Å; A384-E400 PolarHBondContact N-O 3.41Å; A384-E400 PolarHBondContact O-N 3.2Å; A384-W409 HydrophobicContact CB-CH2 4.01Å; A384-W409 HydrophobicContact CB-CZ3 3.76Å
385	I	93.2	Very high	86.4	Confident	1 Å²	1	39.3 Å²	39.3	1%	0.005	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	126.6	-169.5	-59.4	162.4	0	0	0	110	S374 V376 G387 V399 L415 A424 I431 V433	S374-I385 PolarHBondContact N-O 3.2Å; S374-I385 PolarHBondContact O-N 2.9Å; V376-I385 HydrophobicContact CG2-CD1 3.82Å; I385-G387 PolarHBondContact O-N 3.33Å; I385-V399 HydrophobicContact CG1-CG1 3.7Å; I385-V399 HydrophobicContact CG1-CG2 4.43Å; I385-V399 HydrophobicContact CG2-CG2 4.24Å; I385-L415 HydrophobicContact CG2-CD1 4.06Å; I385-L415 HydrophobicContact CG2-CD2 4Å; I385-L415 HydrophobicContact CG2-CG 4.27Å; I385-A424 HydrophobicContact CD1-CB 4.24Å; I385-I431 HydrophobicContact CD1-CG2 3.64Å; I385-V433 HydrophobicContact CD1-CG2 4.05Å; I385-V433 HydrophobicContact CG2-CG1 4.23Å; I385-V433 HydrophobicContact CG2-CG2 4Å
386	G	86	Confident	85.8	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	24%	0.244	C	C	.	.			trans	58.1	-134	173.3	0	0	0	0	0	113	R370	R370-G386 PolarHBondContact NH1-O 2.78Å
387	G	83.5	Confident	85.4	Confident	6 Å²	6	43.6 Å²	43.6	6%	0.062	26%	0.256	C	S	.	.			trans	86.4	169.5	-168.3	0	0	0	0	0	112.5	I371 I385 S389	I371-G387 CarbonylContact O-C 3.59Å; I371-G387 WeakPolarHBondContact O-CA 3.35Å; I385-G387 PolarHBondContact O-N 3.33Å; G387-S389 PolarHBondContact O-N 3.04Å
388	D	80.1	Confident	85.2	Confident	41 Å²	41	43.1 Å²	43.1	22%	0.219	25%	0.252	C	S	.	.	B	Isolated β-bridge	trans	-79.7	110.9	171.1	-69.1	-43	0	0	0	108.5	I371 R396	I371-D388 HydrophobicContact CB-CB 4.09Å; I371-D388 WeakPolarHBondContact CB-O 3.36Å; I371-D388 PolarHBondContact N-O 2.87Å; I371-D388 PolarHBondContact O-N 2.73Å; D388-R396 IonicContact OD1-CZ 2.74Å; D388-R396 IonicContact OD1-NH1 3.82Å; D388-R396 PolarHBondContact OD1-NH1 2.75Å; D388-R396 IonicContact OD1-NH2 2.65Å
389	S	71.6	Confident	85.1	Confident	19 Å²	19	43 Å²	43	13%	0.133	25%	0.251	C	S	.	.			trans	-106	159.3	176.8	58.6	0	0	0	0	111.6	V369 G387 N395 R396	V369-S389 VanDerWaalsContact O-CB 3.24Å; V369-S389 WeakPolarHBondContact O-CB 3.45Å; G387-S389 PolarHBondContact O-N 3.04Å; S389-N395 WeakPolarHBondContact OG-CB 3.49Å; S389-N395 PolarHBondContact OG-O 3.03Å; S389-R396 VanDerWaalsContact OG-CG 3.31Å; S389-R396 WeakPolarHBondContact OG-CG 3.19Å; S389-R396 PolarHBondContact OG-N 3.03Å
390	V	64.8	Low	85.2	Confident	88 Å²	88	39.9 Å²	39.9	53%	0.533	24%	0.237	S	C	.	.	S	Bend	trans	-87	137.7	170.6	-174.1	0	0	0	0	108.1	T346 V369 N395	T346-V390 HydrophobicContact CG2-CG2 4.22Å; T346-V390 WeakPolarHBondContact OG1-CG2 3.16Å; V369-V390 HydrophobicContact CG2-CB 4.07Å; V369-V390 HydrophobicContact CG2-CG2 4.18Å; V390-N395 PolarHBondContact O-ND2 2.82Å
391	G	69	Low	85.4	Confident	60 Å²	60	40.7 Å²	40.7	62%	0.619	22%	0.224	S	C	*	.	S	Bend	trans	111	16	175.1	0	0	0	0	0	116.7
392	G	75.5	Confident	85.5	Confident	44 Å²	44	37.3 Å²	37.3	45%	0.454	21%	0.211	S	C	.	.			trans	91.9	-170	169.5	0	0	0	0	0	114.8	L394 N395 R396	G392-L394 PolarHBondContact O-N 3.08Å; G392-N395 PolarHBondContact O-N 3.3Å; G392-R396 WeakPolarHBondContact O-CG 3.4Å
393	E	73.4	Confident	85.3	Confident	153 Å²	153	38.3 Å²	38.3	72%	0.715	22%	0.217	S	C	*	.	H	α-helix	trans	-64.2	-35.5	-170.5	-67.8	-172.8	167.8	0	0	114.2	N395 R396 R397 A418	E393-N395 PolarHBondContact O-N 3.24Å; E393-R396 WeakPolarHBondContact O-CB 3.49Å; E393-R396 PolarHBondContact O-N 3.02Å; E393-R396 VanDerWaalsContact O-N 3.1Å; E393-R397 PolarHBondContact O-N 2.85Å; E393-A418 HydrophobicContact CB-CB 4.19Å
394	L	74.7	Confident	84.9	Confident	133 Å²	133	40.1 Å²	40.1	70%	0.696	23%	0.228	S	C	*	.	H	α-helix	trans	-62.4	-44.1	-179.5	-67.2	173.8	0	0	0	111.6	G392 R396 R397	G392-L394 PolarHBondContact O-N 3.08Å; L394-R396 PolarHBondContact O-N 3.18Å; L394-R397 PolarHBondContact O-N 2.96Å; L394-R397 VanDerWaalsContact O-N 3.15Å
395	N	79.3	Confident	84.4	Confident	42 Å²	42	43.6 Å²	43.6	23%	0.225	24%	0.244	C	C	.	.	H	α-helix	trans	-68.1	-17.1	177.2	-72	1.3	0	0	0	113	S389 V390 G392 E393 T398	S389-N395 WeakPolarHBondContact OG-CB 3.49Å; S389-N395 PolarHBondContact OG-O 3.03Å; V390-N395 PolarHBondContact O-ND2 2.82Å; G392-N395 PolarHBondContact O-N 3.3Å; E393-N395 PolarHBondContact O-N 3.24Å; N395-T398 PolarHBondContact O-OG1 3.06Å
396	R	83.8	Confident	84.1	Confident	33 Å²	33	49.7 Å²	49.7	13%	0.125	27%	0.271	C	S	.	.	H	α-helix	trans	-83.7	-17.3	177.3	-67.8	168.6	59	93.7	17.8	112.2	D388 S389 G392 E393 L394 A418 W419 Q420	D388-R396 IonicContact OD1-CZ 2.74Å; D388-R396 IonicContact OD1-NH1 3.82Å; D388-R396 PolarHBondContact OD1-NH1 2.75Å; D388-R396 IonicContact OD1-NH2 2.65Å; S389-R396 VanDerWaalsContact OG-CG 3.31Å; S389-R396 WeakPolarHBondContact OG-CG 3.19Å; S389-R396 PolarHBondContact OG-N 3.03Å; G392-R396 WeakPolarHBondContact O-CG 3.4Å; E393-R396 WeakPolarHBondContact O-CB 3.49Å; E393-R396 PolarHBondContact O-N 3.02Å; E393-R396 VanDerWaalsContact O-N 3.1Å; L394-R396 PolarHBondContact O-N 3.18Å; R396-A418 HydrophobicContact CB-CB 4.14Å; R396-W419 PolarHBondContact NH2-O 3Å; R396-Q420 VanDerWaalsContact NH2-CA 3.28Å
397	R	89.5	Confident	84.4	Confident	81 Å²	81	50.9 Å²	50.9	31%	0.306	28%	0.277	S	S	.	.	H	α-helix	trans	-90.9	-20.1	177.9	-65.2	177.2	61.3	-171	-4.5	112.8	E393 L394 V399 P414 L415 P416 A418	E393-R397 PolarHBondContact O-N 2.85Å; L394-R397 PolarHBondContact O-N 2.96Å; L394-R397 VanDerWaalsContact O-N 3.15Å; R397-V399 PolarHBondContact O-N 3.03Å; R397-P414 HydrophobicContact CB-CB 4.1Å; R397-P414 CarbonylContact O-C 3.56Å; R397-P414 WeakPolarHBondContact O-CA 3.43Å; R397-P414 WeakPolarHBondContact O-CB 3.25Å; R397-L415 HydrophobicContact CB-CB 4.44Å; R397-L415 VanDerWaalsContact CZ-O 3.31Å; R397-L415 PolarHBondContact NE-O 2.82Å; R397-L415 PolarHBondContact NH2-O 3.14Å; R397-L415 PolarHBondContact O-N 3.44Å; R397-P416 VanDerWaalsContact CZ-O 3.23Å; R397-P416 PolarHBondContact NE-O 2.71Å; R397-P416 PolarHBondContact NH2-O 3.03Å; R397-A418 HydrophobicContact CG-CB 3.81Å
398	T	92.1	Very high	84.9	Confident	14 Å²	14	55.8 Å²	55.8	9%	0.086	30%	0.298	C	S	.	.			trans	-58.6	138.5	-176.1	56.4	0	0	0	0	110.7	F368 R370 N395 M411	F368-T398 HydrophobicContact CD2-CG2 4.48Å; F368-T398 HydrophobicContact CE1-CG2 4.49Å; F368-T398 HydrophobicContact CE2-CG2 4.28Å; F368-T398 HydrophobicContact CZ-CG2 4.29Å; R370-T398 PolarHBondContact NH1-O 2.76Å; R370-T398 PolarHBondContact NH2-O 2.95Å; R370-T398 PolarHBondContact NH2-OG1 2.79Å; N395-T398 PolarHBondContact O-OG1 3.06Å; T398-M411 VanDerWaalsContact CB-CE 3.48Å; T398-M411 HydrophobicContact CG2-CE 3.67Å
399	V	95.1	Very high	85.8	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	137.5	170.6	-177.4	0	0	0	0	106.9	Y383 I385 R397 V412 L415 W449	Y383-V399 HydrophobicContact CD1-CG1 4.34Å; I385-V399 HydrophobicContact CG1-CG1 3.7Å; I385-V399 HydrophobicContact CG1-CG2 4.43Å; I385-V399 HydrophobicContact CG2-CG2 4.24Å; R397-V399 PolarHBondContact O-N 3.03Å; V399-V412 HydrophobicContact CB-CG2 3.73Å; V399-V412 HydrophobicContact CG1-CG2 3.49Å; V399-V412 VanDerWaalsContact CG1-CG2 3.49Å; V399-V412 PolarHBondContact O-N 3.25Å; V399-L415 HydrophobicContact CG2-CD2 4.41Å; V399-L415 HydrophobicContact CG2-CG 3.9Å; V399-W449 HydrophobicContact CG2-CZ2 4.04Å
400	E	96.3	Very high	87	Confident	0 Å²	0	57 Å²	57	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	148	-179.5	58.2	-166.1	123.8	0	0	109.1	L367 F368 R370 Y383 A384 W409 T410 M411	L367-E400 WeakPolarHBondContact CA-OE2 3.42Å; L367-E400 VanDerWaalsContact CB-OE2 3.28Å; L367-E400 WeakPolarHBondContact CB-OE2 3.32Å; L367-E400 PolarHBondContact N-OE2 2.74Å; F368-E400 PolarHBondContact N-OE1 2.84Å; R370-E400 IonicContact CZ-OE1 2.66Å; R370-E400 VanDerWaalsContact CZ-OE1 3.28Å; R370-E400 IonicContact NE-OE1 3.67Å; R370-E400 PolarHBondContact NE-OE1 2.81Å; R370-E400 IonicContact NH2-OE1 3.08Å; R370-E400 PolarHBondContact NH2-OE1 3.17Å; Y383-E400 CarbonylContact C-O 3.58Å; Y383-E400 WeakPolarHBondContact CA-O 3.42Å; A384-E400 HydrophobicContact CB-CG 3.92Å; A384-E400 PolarHBondContact N-O 3.41Å; A384-E400 PolarHBondContact O-N 3.2Å; E400-W409 HydrophobicContact CB-CE3 4.05Å; E400-W409 HydrophobicContact CG-CE3 3.62Å; E400-W409 HydrophobicContact CG-CZ3 3.89Å; E400-T410 CarbonylContact C-O 3.58Å; E400-T410 VanDerWaalsContact CA-O 3.31Å; E400-T410 WeakPolarHBondContact CA-O 3.41Å; E400-M411 HydrophobicContact CB-SD 3.94Å
401	R	97.6	Very high	88.5	Confident	67 Å²	67	56.3 Å²	56.3	25%	0.253	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	146.8	176.9	75.5	177.5	-178.7	-168	-0.6	110.6	I382 Y383 W409 T410 V412	I382-R401 CarbonylContact O-C 3.51Å; I382-R401 VanDerWaalsContact O-CA 3.23Å; I382-R401 WeakPolarHBondContact O-CA 3.47Å; Y383-R401 HydrophobicContact CD1-CB 3.72Å; Y383-R401 HydrophobicContact CD2-CB 4.43Å; Y383-R401 HydrophobicContact CE1-CB 3.62Å; Y383-R401 HydrophobicContact CE1-CG 4.42Å; Y383-R401 HydrophobicContact CE2-CB 4.35Å; Y383-R401 HydrophobicContact CG-CB 4.13Å; R401-W409 VanDerWaalsContact C-CE3 3.46Å; R401-W409 CarbonylContact O-C 3.39Å; R401-W409 VanDerWaalsContact O-CA 3.31Å; R401-W409 WeakPolarHBondContact O-CA 3.27Å; R401-T410 PolarHBondContact N-O 3.1Å; R401-T410 PolarHBondContact O-N 2.96Å; R401-V412 HydrophobicContact CB-CG1 4.33Å; R401-V412 HydrophobicContact CG-CG1 3.91Å
402	Y	98.1	Very high	89.9	Confident	0 Å²	0	54 Å²	54	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	129.9	177.5	176	-101.6	0	0	0	110	F350 Y381 I382 T404 D407 E408 W409	F350-Y402 HydrophobicContact CD1-CD2 4.26Å; F350-Y402 HydrophobicContact CD1-CE2 4.08Å; F350-Y402 AromaticContact CE1-CD1 3.67Å; F350-Y402 HydrophobicContact CE1-CD1 3.67Å; F350-Y402 AromaticContact CE1-CD2 3.93Å; F350-Y402 HydrophobicContact CE1-CD2 3.93Å; F350-Y402 AromaticContact CE1-CE1 3.58Å; F350-Y402 HydrophobicContact CE1-CE1 3.58Å; F350-Y402 AromaticContact CE1-CE2 3.83Å; F350-Y402 HydrophobicContact CE1-CE2 3.83Å; F350-Y402 AromaticContact CE1-CG 3.83Å; F350-Y402 HydrophobicContact CE1-CG 3.83Å; F350-Y402 AromaticContact CE1-CZ 3.66Å; F350-Y402 HydrophobicContact CZ-CD1 4.03Å; F350-Y402 HydrophobicContact CZ-CE1 4.25Å; F350-Y402 HydrophobicContact CZ-CG 4.31Å; Y381-Y402 WeakPolarHBondContact CA-O 3.42Å; I382-Y402 HydrophobicContact CD1-CD1 4.2Å; I382-Y402 PolarHBondContact N-O 2.63Å; I382-Y402 VanDerWaalsContact N-O 3.1Å; I382-Y402 PolarHBondContact O-N 2.65Å; Y402-T404 HydrophobicContact CD1-CG2 4.05Å; Y402-T404 HydrophobicContact CE1-CG2 3.83Å; Y402-D407 HydrophobicContact CE2-CB 4.48Å; Y402-D407 VanDerWaalsContact CE2-OD1 3.32Å; Y402-D407 WeakPolarHBondContact CE2-OD1 3.31Å; Y402-D407 WeakPolarHBondContact OH-CA 3.38Å; Y402-D407 PolarHBondContact OH-OD1 2.7Å; Y402-E408 WeakPolarHBondContact CA-O 3.17Å; Y402-W409 AromaticContact CD2-CD1 3.78Å; Y402-W409 HydrophobicContact CD2-CD2 4.07Å; Y402-W409 AromaticContact CD2-CE2 3.64Å; Y402-W409 HydrophobicContact CD2-CG 4.16Å; Y402-W409 HydrophobicContact CD2-CZ2 4.13Å; Y402-W409 AromaticContact CD2-NE1 3.44Å; Y402-W409 HydrophobicContact CG-CD2 4.35Å; Y402-W409 AromaticContact CG-CE2 3.97Å; Y402-W409 HydrophobicContact CG-CH2 4.49Å; Y402-W409 HydrophobicContact CG-CZ2 4.05Å
403	D	94.9	Very high	90.9	Very high	22 Å²	22	53.6 Å²	53.6	12%	0.118	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	115.9	171.9	-174.5	-30.7	0	0	0	108.7	Y381 E405 K406 D407 E408	Y381-D403 HydrophobicContact CD1-CB 4.08Å; Y381-D403 HydrophobicContact CE1-CB 3.87Å; D403-E405 VanDerWaalsContact C-N 3.28Å; D403-E405 PolarHBondContact O-N 3.17Å; D403-E405 PolarHBondContact OD1-N 3.44Å; D403-K406 HydrophobicContact CB-CB 4.17Å; D403-K406 PolarHBondContact OD1-N 3.26Å; D403-K406 VanDerWaalsContact OD1-N 3.16Å; D403-K406 WeakPolarHBondContact OD2-CD 3.42Å; D403-K406 IonicContact OD2-NZ 3.79Å; D403-D407 WeakPolarHBondContact O-CA 3.46Å; D403-D407 PolarHBondContact O-N 2.8Å; D403-E408 PolarHBondContact N-O 3.13Å
404	T	89.6	Confident	91.8	Very high	39 Å²	39	49.3 Å²	49.3	24%	0.239	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-26.7	-177.1	51.1	0	0	0	0	113.3	I382 Y402	I382-T404 HydrophobicContact CD1-CG2 4.37Å; Y402-T404 HydrophobicContact CD1-CG2 4.05Å; Y402-T404 HydrophobicContact CE1-CG2 3.83Å
405	E	84.5	Confident	92.6	Very high	72 Å²	72	43 Å²	43	34%	0.336	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-41.7	-179	-58.4	-48.7	133.8	0	0	110.8	N129 D403	N129-E405 PolarHBondContact ND2-O 2.97Å; N129-E405 VanDerWaalsContact ND2-O 3.13Å; D403-E405 VanDerWaalsContact C-N 3.28Å; D403-E405 PolarHBondContact O-N 3.17Å; D403-E405 PolarHBondContact OD1-N 3.44Å
406	K	87.2	Confident	93.1	Very high	130 Å²	130	43 Å²	43	57%	0.565	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-17.2	-179.7	-61.9	-178.5	-171	164.9	0	114.4	D403 E408	D403-K406 HydrophobicContact CB-CB 4.17Å; D403-K406 PolarHBondContact OD1-N 3.26Å; D403-K406 VanDerWaalsContact OD1-N 3.16Å; D403-K406 WeakPolarHBondContact OD2-CD 3.42Å; D403-K406 IonicContact OD2-NZ 3.79Å; K406-E408 VanDerWaalsContact C-N 3.3Å; K406-E408 HydrophobicContact CB-CB 4.21Å; K406-E408 HydrophobicContact CB-CG 4.27Å; K406-E408 PolarHBondContact O-N 2.89Å
407	D	91.3	Very high	93.2	Very high	24 Å²	24	44.1 Å²	44.1	13%	0.128	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.7	47.1	-171.4	-173.4	24.3	0	0	0	111.6	T364 Y402 D403	T364-D407 WeakPolarHBondContact CB-O 3.41Å; T364-D407 VanDerWaalsContact CB-OD1 3.3Å; T364-D407 WeakPolarHBondContact CB-OD1 3.27Å; T364-D407 PolarHBondContact N-OD1 2.85Å; T364-D407 VanDerWaalsContact OG1-CG 3.24Å; T364-D407 PolarHBondContact OG1-O 3.24Å; T364-D407 PolarHBondContact OG1-OD1 3.33Å; T364-D407 VanDerWaalsContact OG1-OD1 3.12Å; T364-D407 PolarHBondContact OG1-OD2 3.21Å; Y402-D407 HydrophobicContact CE2-CB 4.48Å; Y402-D407 VanDerWaalsContact CE2-OD1 3.32Å; Y402-D407 WeakPolarHBondContact CE2-OD1 3.31Å; Y402-D407 WeakPolarHBondContact OH-CA 3.38Å; Y402-D407 PolarHBondContact OH-OD1 2.7Å; D403-D407 WeakPolarHBondContact O-CA 3.46Å; D403-D407 PolarHBondContact O-N 2.8Å
408	E	94.6	Very high	92.6	Very high	110 Å²	110	42 Å²	42	51%	0.514	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	143	-175.1	-74.7	-179.3	173.8	0	0	112	Y402 D403 K406	Y402-E408 WeakPolarHBondContact CA-O 3.17Å; D403-E408 PolarHBondContact N-O 3.13Å; K406-E408 VanDerWaalsContact C-N 3.3Å; K406-E408 HydrophobicContact CB-CB 4.21Å; K406-E408 HydrophobicContact CB-CG 4.27Å; K406-E408 PolarHBondContact O-N 2.89Å
409	W	98	Very high	91.8	Very high	16 Å²	16	42 Å²	42	6%	0.061	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	138.1	171.7	-70.7	89.1	0	0	0	110.9	F350 T364 M366 L367 A384 E400 R401 Y402	F350-W409 HydrophobicContact CB-CZ2 4.44Å; F350-W409 AromaticContact CD1-CZ2 3.87Å; F350-W409 HydrophobicContact CD1-CZ2 3.87Å; F350-W409 AromaticContact CD2-CZ2 3.77Å; F350-W409 HydrophobicContact CD2-CZ2 3.77Å; F350-W409 HydrophobicContact CE1-CZ2 4.01Å; F350-W409 HydrophobicContact CE2-CH2 4.35Å; F350-W409 AromaticContact CE2-CZ2 3.88Å; F350-W409 HydrophobicContact CE2-CZ2 3.88Å; F350-W409 AromaticContact CG-CZ2 3.78Å; F350-W409 HydrophobicContact CG-CZ2 3.78Å; F350-W409 HydrophobicContact CZ-CZ2 4Å; T364-W409 PolarHBondContact O-NE1 2.94Å; M366-W409 HydrophobicContact CB-CD2 4.47Å; M366-W409 HydrophobicContact CG-CD2 4.05Å; M366-W409 HydrophobicContact CG-CE3 4.28Å; M366-W409 HydrophobicContact CG-CH2 3.76Å; M366-W409 HydrophobicContact CG-CZ2 3.47Å; M366-W409 VanDerWaalsContact CG-CZ2 3.47Å; M366-W409 HydrophobicContact CG-CZ3 4.16Å; M366-W409 HydrophobicContact SD-CH2 4.28Å; M366-W409 HydrophobicContact SD-CZ2 4.46Å; L367-W409 HydrophobicContact CD1-CB 4.23Å; L367-W409 HydrophobicContact CD2-CB 4.2Å; L367-W409 HydrophobicContact CG-CB 3.77Å; A384-W409 HydrophobicContact CB-CH2 4.01Å; A384-W409 HydrophobicContact CB-CZ3 3.76Å; E400-W409 HydrophobicContact CB-CE3 4.05Å; E400-W409 HydrophobicContact CG-CE3 3.62Å; E400-W409 HydrophobicContact CG-CZ3 3.89Å; R401-W409 VanDerWaalsContact C-CE3 3.46Å; R401-W409 CarbonylContact O-C 3.39Å; R401-W409 VanDerWaalsContact O-CA 3.31Å; R401-W409 WeakPolarHBondContact O-CA 3.27Å; Y402-W409 AromaticContact CD2-CD1 3.78Å; Y402-W409 HydrophobicContact CD2-CD2 4.07Å; Y402-W409 AromaticContact CD2-CE2 3.64Å; Y402-W409 HydrophobicContact CD2-CG 4.16Å; Y402-W409 HydrophobicContact CD2-CZ2 4.13Å; Y402-W409 AromaticContact CD2-NE1 3.44Å; Y402-W409 HydrophobicContact CG-CD2 4.35Å; Y402-W409 AromaticContact CG-CE2 3.97Å; Y402-W409 HydrophobicContact CG-CH2 4.49Å; Y402-W409 HydrophobicContact CG-CZ2 4.05Å
410	T	97.8	Very high	90.7	Very high	70 Å²	70	45.9 Å²	45.9	43%	0.429	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	137.3	174.9	-56.4	0	0	0	0	110	E400 R401	E400-T410 CarbonylContact C-O 3.58Å; E400-T410 VanDerWaalsContact CA-O 3.31Å; E400-T410 WeakPolarHBondContact CA-O 3.41Å; R401-T410 PolarHBondContact N-O 3.1Å; R401-T410 PolarHBondContact O-N 2.96Å
411	M	96.7	Very high	89.4	Confident	72 Å²	72	49.7 Å²	49.7	36%	0.355	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	141	173	-69.7	-59.8	-66.8	0	0	111.1	L367 F368 T398 E400	L367-M411 HydrophobicContact CD1-CG 3.71Å; L367-M411 HydrophobicContact CD1-SD 3.94Å; F368-M411 HydrophobicContact CD2-CE 4.39Å; F368-M411 HydrophobicContact CD2-SD 3.87Å; F368-M411 HydrophobicContact CE2-CE 3.97Å; F368-M411 HydrophobicContact CE2-SD 3.66Å; T398-M411 VanDerWaalsContact CB-CE 3.48Å; T398-M411 HydrophobicContact CG2-CE 3.67Å; E400-M411 HydrophobicContact CB-SD 3.94Å
412	V	97.2	Very high	88.4	Confident	13 Å²	13	47.6 Å²	47.6	8%	0.079	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	179.3	171.3	-58.3	0	0	0	0	109.9	Y383 V399 R401 Y442	Y383-V412 HydrophobicContact CD1-CG2 4.37Å; Y383-V412 HydrophobicContact CE1-CG1 4.39Å; Y383-V412 HydrophobicContact CE1-CG2 4.31Å; V399-V412 HydrophobicContact CB-CG2 3.73Å; V399-V412 HydrophobicContact CG1-CG2 3.49Å; V399-V412 VanDerWaalsContact CG1-CG2 3.49Å; V399-V412 PolarHBondContact O-N 3.25Å; R401-V412 HydrophobicContact CB-CG1 4.33Å; R401-V412 HydrophobicContact CG-CG1 3.91Å; V412-Y442 WeakPolarHBondContact CB-OH 3.38Å
413	S	96.2	Very high	88	Confident	35 Å²	35	48.1 Å²	48.1	25%	0.245	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-51	125.2	179	-85.5	0	0	0	0	111.5	D447 W449	S413-D447 VanDerWaalsContact CB-O 3.32Å; S413-D447 WeakPolarHBondContact CB-O 3.24Å; S413-D447 WeakPolarHBondContact CB-OD1 3.43Å; S413-D447 PolarHBondContact N-OD1 2.93Å; S413-D447 PolarHBondContact OG-O 3.07Å; S413-D447 PolarHBondContact OG-OD1 2.98Å; S413-W449 PolarHBondContact O-NE1 3.5Å
414	P	94.1	Very high	88	Confident	63 Å²	63	48 Å²	48	41%	0.409	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-69.7	157.3	-178.4	30.3	-35.7	0	0	0	111	R397 W449	R397-P414 HydrophobicContact CB-CB 4.1Å; R397-P414 CarbonylContact O-C 3.56Å; R397-P414 WeakPolarHBondContact O-CA 3.43Å; R397-P414 WeakPolarHBondContact O-CB 3.25Å; P414-W449 VanDerWaalsContact O-CD1 3.3Å; P414-W449 PolarHBondContact O-NE1 3.2Å
415	L	91.3	Very high	88.4	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-50.6	139.6	170.1	-69.9	172.7	0	0	0	110.1	I385 R397 V399 C417 W419 V433 W449	I385-L415 HydrophobicContact CG2-CD1 4.06Å; I385-L415 HydrophobicContact CG2-CD2 4Å; I385-L415 HydrophobicContact CG2-CG 4.27Å; R397-L415 HydrophobicContact CB-CB 4.44Å; R397-L415 VanDerWaalsContact CZ-O 3.31Å; R397-L415 PolarHBondContact NE-O 2.82Å; R397-L415 PolarHBondContact NH2-O 3.14Å; R397-L415 PolarHBondContact O-N 3.44Å; V399-L415 HydrophobicContact CG2-CD2 4.41Å; V399-L415 HydrophobicContact CG2-CG 3.9Å; L415-C417 WeakPolarHBondContact CB-O 3.31Å; L415-C417 PolarHBondContact O-N 3.12Å; L415-W419 HydrophobicContact CD1-CE3 4Å; L415-W419 HydrophobicContact CD1-CZ3 4.39Å; L415-W419 HydrophobicContact CD2-CE3 4.08Å; L415-W419 HydrophobicContact CD2-CH2 4.18Å; L415-W419 HydrophobicContact CD2-CZ3 3.61Å; L415-V433 HydrophobicContact CD2-CG1 4.41Å; L415-W449 HydrophobicContact CD2-CE3 4.42Å; L415-W449 HydrophobicContact CD2-CH2 3.52Å; L415-W449 HydrophobicContact CD2-CZ2 3.72Å; L415-W449 HydrophobicContact CD2-CZ3 3.89Å
416	P	89.9	Confident	89	Confident	42 Å²	42	45.2 Å²	45.2	27%	0.273	25%	0.248	S	C	.	.	S	Bend	trans	-57.9	-30.9	177.2	-30.2	39	0	0	0	113.7	R397 Y440 W449	R397-P416 VanDerWaalsContact CZ-O 3.23Å; R397-P416 PolarHBondContact NE-O 2.71Å; R397-P416 PolarHBondContact NH2-O 3.03Å; P416-Y440 HydrophobicContact CB-CD1 4.35Å; P416-Y440 HydrophobicContact CB-CE1 3.94Å; P416-Y440 HydrophobicContact CG-CD1 3.68Å; P416-Y440 HydrophobicContact CG-CE1 3.75Å; P416-Y440 HydrophobicContact CG-CG 4.34Å; P416-W449 HydrophobicContact CG-CB 3.68Å; P416-W449 HydrophobicContact CG-CG 4.01Å
417	C	84.1	Confident	89.5	Confident	56 Å²	56	39.5 Å²	39.5	38%	0.378	22%	0.224	S	C	.	.	S	Bend	trans	-135.5	150.8	-178.6	-68.2	0	0	0	0	110.8	L415 W419	L415-C417 WeakPolarHBondContact CB-O 3.31Å; L415-C417 PolarHBondContact O-N 3.12Å; C417-W419 HydrophobicContact CB-CZ2 4.35Å; C417-W419 VanDerWaalsContact CB-NE1 3.29Å; C417-W419 PolarHBondContact O-N 2.93Å
418	A	78.7	Confident	89.6	Confident	36 Å²	36	43 Å²	43	30%	0.298	24%	0.239	S	C	.	.			trans	-75.9	114.4	175.4	0	0	0	0	0	109.7	E393 R396 R397	E393-A418 HydrophobicContact CB-CB 4.19Å; R396-A418 HydrophobicContact CB-CB 4.14Å; R397-A418 HydrophobicContact CG-CB 3.81Å
419	W	74.9	Confident	89.7	Confident	16 Å²	16	41.8 Å²	41.8	6%	0.061	24%	0.236	C	C	.	.			trans	-110.7	153.9	-177	-62.6	-26.9	0	0	0	113.3	R396 L415 C417 V433 T435 Y440	R396-W419 PolarHBondContact NH2-O 3Å; L415-W419 HydrophobicContact CD1-CE3 4Å; L415-W419 HydrophobicContact CD1-CZ3 4.39Å; L415-W419 HydrophobicContact CD2-CE3 4.08Å; L415-W419 HydrophobicContact CD2-CH2 4.18Å; L415-W419 HydrophobicContact CD2-CZ3 3.61Å; C417-W419 HydrophobicContact CB-CZ2 4.35Å; C417-W419 VanDerWaalsContact CB-NE1 3.29Å; C417-W419 PolarHBondContact O-N 2.93Å; W419-V433 HydrophobicContact CE3-CG1 3.81Å; W419-V433 HydrophobicContact CZ3-CB 3.85Å; W419-V433 HydrophobicContact CZ3-CG1 3.47Å; W419-V433 VanDerWaalsContact CZ3-CG1 3.47Å; W419-T435 HydrophobicContact CB-CG2 4.12Å; W419-T435 HydrophobicContact CD2-CG2 3.34Å; W419-T435 HydrophobicContact CE3-CG2 3.9Å; W419-T435 HydrophobicContact CG-CG2 3.43Å; W419-T435 VanDerWaalsContact CG-CG2 3.43Å; W419-T435 HydrophobicContact CZ2-CG2 4.28Å; W419-Y440 AromaticContact CH2-CD2 3.15Å; W419-Y440 HydrophobicContact CH2-CD2 3.15Å; W419-Y440 AromaticContact CH2-CE2 3.81Å; W419-Y440 HydrophobicContact CH2-CE2 3.81Å; W419-Y440 AromaticContact CH2-CG 3.78Å; W419-Y440 HydrophobicContact CH2-CG 3.78Å; W419-Y440 AromaticContact CZ2-CD2 3.26Å; W419-Y440 HydrophobicContact CZ2-CD2 3.26Å; W419-Y440 AromaticContact CZ2-CE2 3.38Å; W419-Y440 HydrophobicContact CZ2-CE2 3.38Å; W419-Y440 HydrophobicContact CZ2-CG 4.2Å; W419-Y440 HydrophobicContact CZ3-CD2 4.41Å
420	Q	71.4	Confident	89.7	Confident	80 Å²	80	41.9 Å²	41.9	37%	0.374	24%	0.239	S	C	.	.	S	Bend	trans	-116.5	131.6	176.2	-140.7	158.5	64.5	0	0	105.6	R396 T435	R396-Q420 VanDerWaalsContact NH2-CA 3.28Å; Q420-T435 PolarHBondContact O-OG1 2.96Å
421	W	68.4	Low	89.7	Confident	81 Å²	81	38.5 Å²	38.5	31%	0.307	22%	0.218	S	C	.	.	S	Bend	trans	55.6	63.7	176.3	-46.2	-66.6	0	0	0	115.2	F461 L487	W421-F461 HydrophobicContact CB-CD1 4.27Å; W421-F461 HydrophobicContact CB-CE1 4.2Å; W421-F461 AromaticContact CD1-CE1 3.46Å; W421-F461 VanDerWaalsContact CD1-CE1 3.46Å; W421-F461 AromaticContact CD2-CE1 3.71Å; W421-F461 HydrophobicContact CD2-CE1 3.71Å; W421-F461 AromaticContact CD2-CZ 3.76Å; W421-F461 HydrophobicContact CD2-CZ 3.76Å; W421-F461 AromaticContact CE2-CE1 3.77Å; W421-F461 AromaticContact CE2-CZ 3.82Å; W421-F461 HydrophobicContact CE3-CZ 4.17Å; W421-F461 HydrophobicContact CG-CD1 4.04Å; W421-F461 AromaticContact CG-CE1 3.5Å; W421-F461 HydrophobicContact CG-CE1 3.5Å; W421-F461 HydrophobicContact CG-CZ 4.05Å; W421-F461 HydrophobicContact CZ2-CZ 4.28Å; W421-F461 AromaticContact NE1-CE1 3.63Å; W421-L487 HydrophobicContact CH2-CD1 3.92Å; W421-L487 HydrophobicContact CZ3-CD1 4.2Å
422	S	77.8	Confident	89.7	Confident	22 Å²	22	35.7 Å²	35.7	15%	0.154	20%	0.204	C	C	.	.			trans	-84.7	150.8	175.7	51.5	0	0	0	0	113.4	S374 M434	S374-S422 PolarHBondContact OG-O 2.97Å; S374-S422 PolarHBondContact OG-OG 2.65Å; S374-S422 VanDerWaalsContact OG-OG 3.14Å; S422-M434 WeakPolarHBondContact CA-O 3.33Å
423	A	90.1	Very high	89.5	Confident	12 Å²	12	35 Å²	35	10%	0.099	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	137.9	162.2	0	0	0	0	0	108.8	V433 M434 A464 Y473	A423-V433 WeakPolarHBondContact O-CA 3.34Å; A423-M434 HydrophobicContact CB-CE 4.45Å; A423-M434 PolarHBondContact N-O 3.38Å; A423-M434 PolarHBondContact O-N 3.26Å; A423-A464 HydrophobicContact CB-CB 3.82Å; A423-Y473 HydrophobicContact CB-CE2 4.24Å
424	A	94.9	Very high	89.3	Confident	20 Å²	20	33.4 Å²	33.4	17%	0.165	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	141.4	177.4	0	0	0	0	0	110.4	V376 I385 Y432 V433	V376-A424 HydrophobicContact CG1-CB 3.75Å; I385-A424 HydrophobicContact CD1-CB 4.24Å; A424-Y432 CarbonylContact C-O 3.56Å; A424-Y432 VanDerWaalsContact CA-O 3.23Å; A424-Y432 WeakPolarHBondContact CA-O 3.37Å; A424-V433 HydrophobicContact CB-CG2 4.05Å
425	V	96.9	Very high	89.1	Confident	11 Å²	11	30.6 Å²	30.6	7%	0.067	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	163.2	177	-61.1	0	0	0	0	110	Y432 M434 A464 A466 I471	V425-Y432 PolarHBondContact N-O 3.09Å; V425-Y432 PolarHBondContact O-N 3.18Å; V425-M434 HydrophobicContact CG1-CE 4.4Å; V425-M434 HydrophobicContact CG2-CE 3.9Å; V425-A464 HydrophobicContact CG1-CB 3.79Å; V425-A466 HydrophobicContact CB-CB 4.15Å; V425-A466 HydrophobicContact CG2-CB 4.43Å; V425-I471 HydrophobicContact CG2-CB 4.38Å; V425-I471 HydrophobicContact CG2-CD1 3.74Å; V425-I471 HydrophobicContact CG2-CG1 3.85Å; V425-I471 HydrophobicContact CG2-CG2 3.7Å
426	V	97.5	Very high	88.9	Confident	41 Å²	41	33.5 Å²	33.5	25%	0.248	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	132.4	179.9	-179.4	0	0	0	0	109.7	V376 C378 C430 I431 A466	V376-V426 HydrophobicContact CB-CG2 3.7Å; V376-V426 HydrophobicContact CG1-CG2 4.25Å; V376-V426 HydrophobicContact CG2-CG2 4.08Å; C378-V426 HydrophobicContact CB-CG1 4.03Å; C378-V426 HydrophobicContact CB-CG2 4.08Å; V426-C430 VanDerWaalsContact CA-O 3.3Å; V426-C430 WeakPolarHBondContact CA-O 3.34Å; V426-I431 HydrophobicContact CG2-CG1 4.2Å; V426-A466 WeakPolarHBondContact O-CB 3.27Å
427	V	96.8	Very high	88.9	Confident	9 Å²	9	34 Å²	34	6%	0.055	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	135.7	172.3	-172.1	0	0	0	0	108.4	D429 C430 Y432 A466 I471 V504	V427-D429 VanDerWaalsContact C-N 3.32Å; V427-D429 PolarHBondContact O-N 2.82Å; V427-C430 PolarHBondContact N-O 2.92Å; V427-C430 WeakPolarHBondContact O-CB 3.47Å; V427-C430 PolarHBondContact O-N 2.85Å; V427-Y432 HydrophobicContact CB-CD2 4.33Å; V427-Y432 HydrophobicContact CB-CE2 3.95Å; V427-Y432 HydrophobicContact CG2-CD2 4.47Å; V427-A466 HydrophobicContact CG2-CB 3.56Å; V427-I471 HydrophobicContact CG2-CD1 4.03Å; V427-I471 HydrophobicContact CG2-CG1 3.68Å; V427-V504 HydrophobicContact CB-CG2 4.27Å; V427-V504 HydrophobicContact CG1-CG1 4.38Å; V427-V504 HydrophobicContact CG1-CG2 3.98Å; V427-V504 HydrophobicContact CG2-CG2 4.34Å
428	H	95.3	Very high	89.3	Confident	98 Å²	98	33.2 Å²	33.2	45%	0.454	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.6	49.7	179	-54.5	156.8	0	0	0	113.4	C430 D469	H428-C430 PolarHBondContact O-N 2.85Å; H428-C430 PolarHBondContact O-SG 3.42Å; H428-C430 VanDerWaalsContact O-SG 3.35Å; H428-D469 IonicContact CD2-OD1 2.85Å; H428-D469 IonicContact CE1-OD1 3.3Å; H428-D469 PolarHBondContact CE1-OD1 2.83Å; H428-D469 IonicContact NE2-OD1 2.68Å; H428-D469 PolarHBondContact NE2-OD1 3.01Å
429	D	95.7	Very high	90	Very high	85 Å²	85	31.5 Å²	31.5	46%	0.455	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.3	20.5	-179.6	-57.3	-38.1	0	0	0	114.9	C378 E379 V427 P444	C378-D429 PolarHBondContact SG-O 2.87Å; E379-D429 HydrophobicContact CG-CB 3.7Å; V427-D429 VanDerWaalsContact C-N 3.32Å; V427-D429 PolarHBondContact O-N 2.82Å; D429-P444 VanDerWaalsContact O-CD 3.25Å; D429-P444 WeakPolarHBondContact O-CD 3.31Å; D429-P444 WeakPolarHBondContact O-CG 3.47Å
430	C	97.5	Very high	91	Very high	17 Å²	17	31.7 Å²	31.7	12%	0.115	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	148.4	177.1	-60.1	0	0	0	0	110.9	V426 V427 H428 Y432 F443	V426-C430 VanDerWaalsContact CA-O 3.3Å; V426-C430 WeakPolarHBondContact CA-O 3.34Å; V427-C430 PolarHBondContact N-O 2.92Å; V427-C430 WeakPolarHBondContact O-CB 3.47Å; V427-C430 PolarHBondContact O-N 2.85Å; H428-C430 PolarHBondContact O-N 2.85Å; H428-C430 PolarHBondContact O-SG 3.42Å; H428-C430 VanDerWaalsContact O-SG 3.35Å; C430-Y432 HydrophobicContact CB-CE2 3.96Å; C430-F443 WeakPolarHBondContact SG-CD1 3.14Å
431	I	97.6	Very high	92.2	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	118.6	-176.6	-53	175.4	0	0	0	109.8	V376 C378 Y383 I385 V426 V433 C441 Y442	V376-I431 HydrophobicContact CG2-CD1 3.94Å; V376-I431 HydrophobicContact CG2-CG1 4.25Å; V376-I431 HydrophobicContact CG2-CG2 3.78Å; C378-I431 HydrophobicContact CB-CD1 3.98Å; C378-I431 HydrophobicContact CB-CG1 3.84Å; Y383-I431 HydrophobicContact CD1-CD1 3.72Å; Y383-I431 HydrophobicContact CD2-CD1 3.45Å; Y383-I431 VanDerWaalsContact CD2-CD1 3.45Å; Y383-I431 HydrophobicContact CE1-CD1 4.04Å; Y383-I431 HydrophobicContact CE2-CD1 3.8Å; Y383-I431 HydrophobicContact CG-CD1 3.42Å; Y383-I431 VanDerWaalsContact CG-CD1 3.42Å; I385-I431 HydrophobicContact CD1-CG2 3.64Å; V426-I431 HydrophobicContact CG2-CG1 4.2Å; I431-V433 HydrophobicContact CG2-CG2 4.11Å; I431-C441 CarbonylContact O-C 3.58Å; I431-C441 WeakPolarHBondContact O-CA 3.33Å; I431-Y442 HydrophobicContact CB-CD1 4.37Å; I431-Y442 HydrophobicContact CD1-CD1 3.84Å; I431-Y442 HydrophobicContact CD1-CE1 4.35Å; I431-Y442 HydrophobicContact CG1-CD1 4.26Å; I431-Y442 PolarHBondContact N-O 3.3Å; I431-Y442 PolarHBondContact O-N 3.15Å
432	Y	96.5	Very high	93.6	Very high	12 Å²	12	24.1 Å²	24.1	5%	0.047	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	123.2	177.1	-65.1	-96.1	0	0	0	109.9	A424 V425 V427 C430 M439 Y440 C441 M452 I471 Y502 V504	A424-Y432 CarbonylContact C-O 3.56Å; A424-Y432 VanDerWaalsContact CA-O 3.23Å; A424-Y432 WeakPolarHBondContact CA-O 3.37Å; V425-Y432 PolarHBondContact N-O 3.09Å; V425-Y432 PolarHBondContact O-N 3.18Å; V427-Y432 HydrophobicContact CB-CD2 4.33Å; V427-Y432 HydrophobicContact CB-CE2 3.95Å; V427-Y432 HydrophobicContact CG2-CD2 4.47Å; C430-Y432 HydrophobicContact CB-CE2 3.96Å; Y432-M439 HydrophobicContact CD1-CE 4.49Å; Y432-M439 HydrophobicContact CD1-CG 4.49Å; Y432-M439 HydrophobicContact CD1-SD 4.02Å; Y432-Y440 WeakPolarHBondContact CA-O 3.29Å; Y432-C441 HydrophobicContact CD1-CB 3.97Å; Y432-C441 HydrophobicContact CE1-CB 3.75Å; Y432-M452 HydrophobicContact CD1-CG 4.48Å; Y432-M452 HydrophobicContact CE1-CG 4.35Å; Y432-I471 HydrophobicContact CD1-CD1 3.82Å; Y432-I471 HydrophobicContact CD2-CD1 3.63Å; Y432-I471 HydrophobicContact CE1-CD1 4.42Å; Y432-I471 HydrophobicContact CE2-CD1 4.26Å; Y432-I471 HydrophobicContact CG-CD1 3.38Å; Y432-Y502 HydrophobicContact CD1-CE1 4.4Å; Y432-Y502 HydrophobicContact CE1-CE1 4.02Å; Y432-V504 WeakPolarHBondContact OH-CG1 3.17Å
433	V	94.7	Very high	94.5	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	130.1	178.2	-170.9	0	0	0	0	109.3	I385 L415 W419 A423 A424 I431 M439 Y440 W449	I385-V433 HydrophobicContact CD1-CG2 4.05Å; I385-V433 HydrophobicContact CG2-CG1 4.23Å; I385-V433 HydrophobicContact CG2-CG2 4Å; L415-V433 HydrophobicContact CD2-CG1 4.41Å; W419-V433 HydrophobicContact CE3-CG1 3.81Å; W419-V433 HydrophobicContact CZ3-CB 3.85Å; W419-V433 HydrophobicContact CZ3-CG1 3.47Å; W419-V433 VanDerWaalsContact CZ3-CG1 3.47Å; A423-V433 WeakPolarHBondContact O-CA 3.34Å; A424-V433 HydrophobicContact CB-CG2 4.05Å; I431-V433 HydrophobicContact CG2-CG2 4.11Å; V433-M439 WeakPolarHBondContact O-CA 3.33Å; V433-Y440 PolarHBondContact N-O 2.95Å; V433-Y440 PolarHBondContact O-N 2.81Å; V433-W449 HydrophobicContact CB-CH2 4.49Å; V433-W449 HydrophobicContact CB-CZ3 4.15Å; V433-W449 HydrophobicContact CG2-CH2 3.62Å; V433-W449 HydrophobicContact CG2-CZ3 3.65Å
434	M	92.2	Very high	94.9	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	134.3	-172.2	-64.5	160.1	-74.3	0	0	110.4	S422 A423 V425 M439 A464 I471 Y473 W509	S422-M434 WeakPolarHBondContact CA-O 3.33Å; A423-M434 HydrophobicContact CB-CE 4.45Å; A423-M434 PolarHBondContact N-O 3.38Å; A423-M434 PolarHBondContact O-N 3.26Å; V425-M434 HydrophobicContact CG1-CE 4.4Å; V425-M434 HydrophobicContact CG2-CE 3.9Å; M434-M439 HydrophobicContact CG-CB 4.02Å; M434-M439 HydrophobicContact CG-CG 3.68Å; M434-M439 HydrophobicContact CG-SD 3.7Å; M434-M439 HydrophobicContact SD-SD 4.01Å; M434-A464 HydrophobicContact CE-CB 3.53Å; M434-I471 HydrophobicContact CE-CG2 3.83Å; M434-I471 HydrophobicContact SD-CG2 3.82Å; M434-Y473 HydrophobicContact CB-CD2 4.08Å; M434-Y473 HydrophobicContact CB-CE2 3.76Å; M434-Y473 HydrophobicContact CE-CD2 4.27Å; M434-Y473 HydrophobicContact CG-CD2 4.45Å; M434-Y473 HydrophobicContact SD-CD2 3.64Å; M434-Y473 HydrophobicContact SD-CE2 4.3Å; M434-W509 HydrophobicContact SD-CH2 3.83Å; M434-W509 HydrophobicContact SD-CZ2 4.26Å
435	T	88	Confident	94.9	Very high	4 Å²	4	35.2 Å²	35.2	3%	0.025	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	147.6	171.4	-170	0	0	0	0	109.2	W419 Q420 N437 L438	W419-T435 HydrophobicContact CB-CG2 4.12Å; W419-T435 HydrophobicContact CD2-CG2 3.34Å; W419-T435 HydrophobicContact CE3-CG2 3.9Å; W419-T435 HydrophobicContact CG-CG2 3.43Å; W419-T435 VanDerWaalsContact CG-CG2 3.43Å; W419-T435 HydrophobicContact CZ2-CG2 4.28Å; Q420-T435 PolarHBondContact O-OG1 2.96Å; T435-N437 PolarHBondContact O-N 2.81Å; T435-L438 PolarHBondContact N-O 3.1Å; T435-L438 VanDerWaalsContact N-O 3.13Å; T435-L438 PolarHBondContact O-N 3.47Å
436	L	88.5	Confident	94.9	Very high	62 Å²	62	38.2 Å²	38.2	33%	0.325	19%	0.189	S	C	.	.	B	Isolated β-bridge	trans	50.2	-114.7	177.6	-61.3	-178.5	0	0	0	112	R455 S458 R459 S460 I479	L436-R455 PolarHBondContact O-NH2 3.13Å; L436-S458 WeakPolarHBondContact CB-OG 2.99Å; L436-R459 VanDerWaalsContact CA-O 3.23Å; L436-R459 WeakPolarHBondContact CA-O 3.22Å; L436-R459 PolarHBondContact N-O 3.27Å; L436-R459 VanDerWaalsContact N-O 3.14Å; L436-R459 PolarHBondContact O-N 3Å; L436-R459 VanDerWaalsContact O-N 3.07Å; L436-S460 WeakPolarHBondContact CD2-OG 3.37Å; L436-I479 HydrophobicContact CD2-CD1 3.47Å; L436-I479 VanDerWaalsContact CD2-CD1 3.47Å
437	N	90	Very high	94.9	Very high	53 Å²	53	39.4 Å²	39.4	28%	0.283	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.5	-1	172.2	64.1	-47.9	0	0	0	113.1	T435 M454 R455	T435-N437 PolarHBondContact O-N 2.81Å; N437-M454 WeakPolarHBondContact O-CA 3.47Å; N437-R455 PolarHBondContact O-N 3.27Å
438	L	92.2	Very high	94.9	Very high	38 Å²	38	41 Å²	41	20%	0.199	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	149.7	-174.8	-59.9	173	0	0	0	111.3	T435 Y440 M454	T435-L438 PolarHBondContact N-O 3.1Å; T435-L438 VanDerWaalsContact N-O 3.13Å; T435-L438 PolarHBondContact O-N 3.47Å; L438-Y440 HydrophobicContact CB-CE2 4.23Å; L438-M454 HydrophobicContact CD2-CE 3.81Å; L438-M454 HydrophobicContact CD2-CG 4.23Å; L438-M454 HydrophobicContact CD2-SD 4.16Å
439	M	94	Very high	95	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	135.6	171.6	179.8	168.2	65.3	0	0	109.9	Y432 V433 M434 M452 Y502 W509	Y432-M439 HydrophobicContact CD1-CE 4.49Å; Y432-M439 HydrophobicContact CD1-CG 4.49Å; Y432-M439 HydrophobicContact CD1-SD 4.02Å; V433-M439 WeakPolarHBondContact O-CA 3.33Å; M434-M439 HydrophobicContact CG-CB 4.02Å; M434-M439 HydrophobicContact CG-CG 3.68Å; M434-M439 HydrophobicContact CG-SD 3.7Å; M434-M439 HydrophobicContact SD-SD 4.01Å; M439-M452 HydrophobicContact CB-CB 4.35Å; M439-M452 HydrophobicContact CE-CB 3.54Å; M439-M452 HydrophobicContact CE-CG 4.21Å; M439-M452 HydrophobicContact CG-CB 4.19Å; M439-M452 HydrophobicContact CG-CG 4.42Å; M439-M452 PolarHBondContact O-N 3.47Å; M439-Y502 HydrophobicContact CE-CD1 3.75Å; M439-Y502 HydrophobicContact CE-CD2 3.47Å; M439-Y502 VanDerWaalsContact CE-CD2 3.47Å; M439-Y502 HydrophobicContact CE-CE1 3.58Å; M439-Y502 HydrophobicContact CE-CE2 3.28Å; M439-Y502 HydrophobicContact CE-CG 3.67Å; M439-Y502 HydrophobicContact SD-CD1 4.4Å; M439-W509 HydrophobicContact CE-CZ2 3.68Å; M439-W509 HydrophobicContact SD-CH2 4.37Å; M439-W509 HydrophobicContact SD-CZ2 3.58Å; M439-W509 VanDerWaalsContact SD-CZ2 3.58Å
440	Y	95.1	Very high	95	Very high	21 Å²	21	37.2 Å²	37.2	8%	0.082	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	143.8	172.9	-69.3	-102.5	0	0	0	110.1	P416 W419 Y432 V433 L438 V450 E451	P416-Y440 HydrophobicContact CB-CD1 4.35Å; P416-Y440 HydrophobicContact CB-CE1 3.94Å; P416-Y440 HydrophobicContact CG-CD1 3.68Å; P416-Y440 HydrophobicContact CG-CE1 3.75Å; P416-Y440 HydrophobicContact CG-CG 4.34Å; W419-Y440 AromaticContact CH2-CD2 3.15Å; W419-Y440 HydrophobicContact CH2-CD2 3.15Å; W419-Y440 AromaticContact CH2-CE2 3.81Å; W419-Y440 HydrophobicContact CH2-CE2 3.81Å; W419-Y440 AromaticContact CH2-CG 3.78Å; W419-Y440 HydrophobicContact CH2-CG 3.78Å; W419-Y440 AromaticContact CZ2-CD2 3.26Å; W419-Y440 HydrophobicContact CZ2-CD2 3.26Å; W419-Y440 AromaticContact CZ2-CE2 3.38Å; W419-Y440 HydrophobicContact CZ2-CE2 3.38Å; W419-Y440 HydrophobicContact CZ2-CG 4.2Å; W419-Y440 HydrophobicContact CZ3-CD2 4.41Å; Y432-Y440 WeakPolarHBondContact CA-O 3.29Å; V433-Y440 PolarHBondContact N-O 2.95Å; V433-Y440 PolarHBondContact O-N 2.81Å; L438-Y440 HydrophobicContact CB-CE2 4.23Å; Y440-V450 CarbonylContact C-O 3.03Å; Y440-V450 VanDerWaalsContact CA-O 3.31Å; Y440-V450 WeakPolarHBondContact CA-O 3.39Å; Y440-E451 HydrophobicContact CD1-CB 3.93Å; Y440-E451 HydrophobicContact CD1-CG 4.33Å; Y440-E451 HydrophobicContact CE1-CB 3.54Å; Y440-E451 HydrophobicContact CE1-CG 3.79Å; Y440-E451 HydrophobicContact CE2-CG 4.31Å; Y440-E451 PolarHBondContact OH-OE2 3.38Å
441	C	96.7	Very high	95	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	128.7	173.2	-175.5	0	0	0	0	109	I431 Y432 F443 W449 V450 M452	I431-C441 CarbonylContact O-C 3.58Å; I431-C441 WeakPolarHBondContact O-CA 3.33Å; Y432-C441 HydrophobicContact CD1-CB 3.97Å; Y432-C441 HydrophobicContact CE1-CB 3.75Å; C441-F443 HydrophobicContact CB-CE2 4.13Å; C441-F443 HydrophobicContact CB-CZ 4.41Å; C441-W449 CarbonylContact O-C 3.58Å; C441-W449 WeakPolarHBondContact O-CA 3.49Å; C441-V450 PolarHBondContact N-O 3.41Å; C441-V450 PolarHBondContact O-N 2.99Å; C441-M452 HydrophobicContact CB-CG 3.7Å; C441-M452 HydrophobicContact CB-SD 3.59Å; C441-M452 VanDerWaalsContact CB-SD 3.59Å
442	Y	97.8	Very high	94.9	Very high	1 Å²	1	42.1 Å²	42.1	0%	0.004	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	131	170	173.1	-100.4	0	0	0	109.9	Y383 V412 I431 P444 D447 S448 W449	Y383-Y442 HydrophobicContact CD1-CE1 4.3Å; Y383-Y442 HydrophobicContact CE1-CD1 4.41Å; Y383-Y442 AromaticContact CE1-CE1 3.58Å; Y383-Y442 HydrophobicContact CE1-CE1 3.58Å; V412-Y442 WeakPolarHBondContact CB-OH 3.38Å; I431-Y442 HydrophobicContact CB-CD1 4.37Å; I431-Y442 HydrophobicContact CD1-CD1 3.84Å; I431-Y442 HydrophobicContact CD1-CE1 4.35Å; I431-Y442 HydrophobicContact CG1-CD1 4.26Å; I431-Y442 PolarHBondContact N-O 3.3Å; I431-Y442 PolarHBondContact O-N 3.15Å; Y442-P444 HydrophobicContact CD1-CG 4.08Å; Y442-P444 HydrophobicContact CE1-CB 4.1Å; Y442-P444 HydrophobicContact CE1-CG 3.92Å; Y442-P444 WeakPolarHBondContact O-CD 3.41Å; Y442-D447 VanDerWaalsContact CE2-OD1 3.28Å; Y442-D447 WeakPolarHBondContact CE2-OD1 3.08Å; Y442-D447 PolarHBondContact OH-OD1 3.49Å; Y442-S448 WeakPolarHBondContact CA-O 2.97Å; Y442-W449 VanDerWaalsContact CB-CH2 3.49Å; Y442-W449 VanDerWaalsContact CB-CZ3 3.46Å; Y442-W449 AromaticContact CD2-CD1 3.98Å; Y442-W449 AromaticContact CD2-CD2 3.98Å; Y442-W449 HydrophobicContact CD2-CD2 3.98Å; Y442-W449 AromaticContact CD2-CE2 3.52Å; Y442-W449 HydrophobicContact CD2-CG 4.23Å; Y442-W449 AromaticContact CD2-CZ2 3.82Å; Y442-W449 HydrophobicContact CD2-CZ2 3.82Å; Y442-W449 AromaticContact CD2-NE1 3.53Å; Y442-W449 HydrophobicContact CG-CD2 4.34Å; Y442-W449 AromaticContact CG-CE2 3.98Å; Y442-W449 HydrophobicContact CG-CH2 4.18Å; Y442-W449 AromaticContact CG-CZ2 3.88Å; Y442-W449 HydrophobicContact CG-CZ2 3.88Å
443	F	97.4	Very high	94.8	Very high	71 Å²	71	42.8 Å²	42.8	31%	0.311	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	103.7	178	-66.4	-86	0	0	0	109.2	C430 C441 R445 S446 D447 S448 V450	C430-F443 WeakPolarHBondContact SG-CD1 3.14Å; C441-F443 HydrophobicContact CB-CE2 4.13Å; C441-F443 HydrophobicContact CB-CZ 4.41Å; F443-R445 PolarHBondContact O-N 2.8Å; F443-R445 VanDerWaalsContact O-N 3.16Å; F443-S446 VanDerWaalsContact CB-OG 3.3Å; F443-S446 WeakPolarHBondContact CB-OG 3.46Å; F443-S446 PolarHBondContact O-N 3.32Å; F443-D447 PolarHBondContact O-N 3.43Å; F443-S448 PolarHBondContact N-O 2.89Å; F443-V450 HydrophobicContact CD2-CG2 3.96Å; F443-V450 HydrophobicContact CE2-CB 3.88Å; F443-V450 HydrophobicContact CE2-CG2 3.54Å
444	P	97.1	Very high	94.7	Very high	13 Å²	13	47.5 Å²	47.5	8%	0.084	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-34.6	-176	-28.9	36.6	0	0	0	114.6	E379 D429 Y442	E379-P444 WeakPolarHBondContact OE2-CB 3.32Å; D429-P444 VanDerWaalsContact O-CD 3.25Å; D429-P444 WeakPolarHBondContact O-CD 3.31Å; D429-P444 WeakPolarHBondContact O-CG 3.47Å; Y442-P444 HydrophobicContact CD1-CG 4.08Å; Y442-P444 HydrophobicContact CE1-CB 4.1Å; Y442-P444 HydrophobicContact CE1-CG 3.92Å; Y442-P444 WeakPolarHBondContact O-CD 3.41Å
445	R	96	Very high	94.6	Very high	203 Å²	203	47.9 Å²	47.9	77%	0.766	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-33.6	-178	-62.8	-175.4	-174.5	169.6	5.3	114	E379 F443	E379-R445 IonicContact OE1-CZ 3.28Å; E379-R445 VanDerWaalsContact OE1-CZ 3.3Å; E379-R445 IonicContact OE1-NE 2.84Å; E379-R445 PolarHBondContact OE1-NE 3.12Å; E379-R445 IonicContact OE1-NH2 2.83Å; E379-R445 PolarHBondContact OE1-NH2 2.96Å; F443-R445 PolarHBondContact O-N 2.8Å; F443-R445 VanDerWaalsContact O-N 3.16Å
446	S	96.7	Very high	94.4	Very high	74 Å²	74	56 Å²	56	52%	0.517	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.4	-0.6	179.1	59.2	0	0	0	0	113.1	F443 S448	F443-S446 VanDerWaalsContact CB-OG 3.3Å; F443-S446 WeakPolarHBondContact CB-OG 3.46Å; F443-S446 PolarHBondContact O-N 3.32Å; S446-S448 VanDerWaalsContact C-N 3.25Å; S446-S448 PolarHBondContact O-N 3.31Å; S446-S448 PolarHBondContact OG-OG 2.73Å
447	D	97.4	Very high	94.3	Very high	66 Å²	66	54.6 Å²	54.6	35%	0.353	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	45.4	50.3	-176.1	-172.4	19.1	0	0	0	111.9	S413 Y442 F443	S413-D447 VanDerWaalsContact CB-O 3.32Å; S413-D447 WeakPolarHBondContact CB-O 3.24Å; S413-D447 WeakPolarHBondContact CB-OD1 3.43Å; S413-D447 PolarHBondContact N-OD1 2.93Å; S413-D447 PolarHBondContact OG-O 3.07Å; S413-D447 PolarHBondContact OG-OD1 2.98Å; Y442-D447 VanDerWaalsContact CE2-OD1 3.28Å; Y442-D447 WeakPolarHBondContact CE2-OD1 3.08Å; Y442-D447 PolarHBondContact OH-OD1 3.49Å; F443-D447 PolarHBondContact O-N 3.43Å
448	S	97.2	Very high	94.1	Very high	42 Å²	42	53.2 Å²	53.2	29%	0.294	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	150.8	-173	67.2	0	0	0	0	112.7	Y442 F443 S446	Y442-S448 WeakPolarHBondContact CA-O 2.97Å; F443-S448 PolarHBondContact N-O 2.89Å; S446-S448 VanDerWaalsContact C-N 3.25Å; S446-S448 PolarHBondContact O-N 3.31Å; S446-S448 PolarHBondContact OG-OG 2.73Å
449	W	97	Very high	93.9	Very high	39 Å²	39	51.4 Å²	51.4	15%	0.148	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	137.3	177.3	-67.4	90	0	0	0	110.6	V399 S413 P414 L415 P416 V433 C441 Y442	V399-W449 HydrophobicContact CG2-CZ2 4.04Å; S413-W449 PolarHBondContact O-NE1 3.5Å; P414-W449 VanDerWaalsContact O-CD1 3.3Å; P414-W449 PolarHBondContact O-NE1 3.2Å; L415-W449 HydrophobicContact CD2-CE3 4.42Å; L415-W449 HydrophobicContact CD2-CH2 3.52Å; L415-W449 HydrophobicContact CD2-CZ2 3.72Å; L415-W449 HydrophobicContact CD2-CZ3 3.89Å; P416-W449 HydrophobicContact CG-CB 3.68Å; P416-W449 HydrophobicContact CG-CG 4.01Å; V433-W449 HydrophobicContact CB-CH2 4.49Å; V433-W449 HydrophobicContact CB-CZ3 4.15Å; V433-W449 HydrophobicContact CG2-CH2 3.62Å; V433-W449 HydrophobicContact CG2-CZ3 3.65Å; C441-W449 CarbonylContact O-C 3.58Å; C441-W449 WeakPolarHBondContact O-CA 3.49Å; Y442-W449 VanDerWaalsContact CB-CH2 3.49Å; Y442-W449 VanDerWaalsContact CB-CZ3 3.46Å; Y442-W449 AromaticContact CD2-CD1 3.98Å; Y442-W449 AromaticContact CD2-CD2 3.98Å; Y442-W449 HydrophobicContact CD2-CD2 3.98Å; Y442-W449 AromaticContact CD2-CE2 3.52Å; Y442-W449 HydrophobicContact CD2-CG 4.23Å; Y442-W449 AromaticContact CD2-CZ2 3.82Å; Y442-W449 HydrophobicContact CD2-CZ2 3.82Å; Y442-W449 AromaticContact CD2-NE1 3.53Å; Y442-W449 HydrophobicContact CG-CD2 4.34Å; Y442-W449 AromaticContact CG-CE2 3.98Å; Y442-W449 HydrophobicContact CG-CH2 4.18Å; Y442-W449 AromaticContact CG-CZ2 3.88Å; Y442-W449 HydrophobicContact CG-CZ2 3.88Å
450	V	96.5	Very high	93.4	Very high	66 Å²	66	51.7 Å²	51.7	40%	0.4	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	134.3	173.8	-178.6	0	0	0	0	108.9	Y440 C441 F443 M452	Y440-V450 CarbonylContact C-O 3.03Å; Y440-V450 VanDerWaalsContact CA-O 3.31Å; Y440-V450 WeakPolarHBondContact CA-O 3.39Å; C441-V450 PolarHBondContact N-O 3.41Å; C441-V450 PolarHBondContact O-N 2.99Å; F443-V450 HydrophobicContact CD2-CG2 3.96Å; F443-V450 HydrophobicContact CE2-CB 3.88Å; F443-V450 HydrophobicContact CE2-CG2 3.54Å; V450-M452 HydrophobicContact CB-SD 4.42Å; V450-M452 HydrophobicContact CG1-SD 4.18Å
451	E	95.8	Very high	92.9	Very high	90 Å²	90	55.5 Å²	55.5	42%	0.421	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	130	173.7	-167	168.5	149.3	0	0	110.2	Y440 M454	Y440-E451 HydrophobicContact CD1-CB 3.93Å; Y440-E451 HydrophobicContact CD1-CG 4.33Å; Y440-E451 HydrophobicContact CE1-CB 3.54Å; Y440-E451 HydrophobicContact CE1-CG 3.79Å; Y440-E451 HydrophobicContact CE2-CG 4.31Å; Y440-E451 PolarHBondContact OH-OE2 3.38Å; E451-M454 WeakPolarHBondContact OE1-CE 3.45Å
452	M	95.9	Very high	92.5	Very high	30 Å²	30	56.2 Å²	56.2	15%	0.148	29%	0.285	C	S	.	.			trans	-103.4	178.4	-178.9	-53.4	-51.3	-64.4	0	0	110.7	Y432 M439 C441 V450 M454 Y502 N507	Y432-M452 HydrophobicContact CD1-CG 4.48Å; Y432-M452 HydrophobicContact CE1-CG 4.35Å; M439-M452 HydrophobicContact CB-CB 4.35Å; M439-M452 HydrophobicContact CE-CB 3.54Å; M439-M452 HydrophobicContact CE-CG 4.21Å; M439-M452 HydrophobicContact CG-CB 4.19Å; M439-M452 HydrophobicContact CG-CG 4.42Å; M439-M452 PolarHBondContact O-N 3.47Å; C441-M452 HydrophobicContact CB-CG 3.7Å; C441-M452 HydrophobicContact CB-SD 3.59Å; C441-M452 VanDerWaalsContact CB-SD 3.59Å; V450-M452 HydrophobicContact CB-SD 4.42Å; V450-M452 HydrophobicContact CG1-SD 4.18Å; M452-M454 PolarHBondContact O-N 2.93Å; M452-Y502 WeakPolarHBondContact CE-OH 3.41Å; M452-N507 HydrophobicContact CE-CB 4.48Å
453	A	95.1	Very high	92.2	Very high	26 Å²	26	57.2 Å²	57.2	22%	0.215	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-55.5	132.7	177.2	0	0	0	0	0	111.5	Y502 N507 W509	A453-Y502 HydrophobicContact CB-CE2 4.34Å; A453-N507 WeakPolarHBondContact CB-O 3.47Å; A453-N507 VanDerWaalsContact CB-OD1 3.27Å; A453-N507 WeakPolarHBondContact CB-OD1 3.46Å; A453-N507 PolarHBondContact N-OD1 2.89Å; A453-W509 VanDerWaalsContact O-CD1 3.31Å; A453-W509 PolarHBondContact O-NE1 2.9Å
454	M	92.2	Very high	92.1	Very high	99 Å²	99	54.7 Å²	54.7	49%	0.488	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-74.6	151.5	177.7	-61.8	-178.1	-176.6	0	0	111.1	N437 L438 E451 M452	N437-M454 WeakPolarHBondContact O-CA 3.47Å; L438-M454 HydrophobicContact CD2-CE 3.81Å; L438-M454 HydrophobicContact CD2-CG 4.23Å; L438-M454 HydrophobicContact CD2-SD 4.16Å; E451-M454 WeakPolarHBondContact OE1-CE 3.45Å; M452-M454 PolarHBondContact O-N 2.93Å
455	R	91	Very high	92.1	Very high	8 Å²	8	54.5 Å²	54.5	3%	0.03	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-81.6	152.3	171.6	-66.2	-175.9	-62.6	146.9	-18.5	110.9	L436 N437 T457 Y473 E500 W509	L436-R455 PolarHBondContact O-NH2 3.13Å; N437-R455 PolarHBondContact O-N 3.27Å; R455-T457 VanDerWaalsContact C-N 3.27Å; R455-Y473 VanDerWaalsContact CZ-CE1 3.42Å; R455-Y473 VanDerWaalsContact NH2-CE1 3.3Å; R455-Y473 PolarHBondContact NH2-OH 3.32Å; R455-Y473 VanDerWaalsContact NH2-OH 3.08Å; R455-E500 WeakPolarHBondContact CD-OE2 3.46Å; R455-E500 IonicContact CZ-OE2 3.42Å; R455-E500 IonicContact NH1-OE2 3.68Å; R455-E500 PolarHBondContact NH1-OE2 2.94Å; R455-W509 VanDerWaalsContact CD-CZ2 3.5Å; R455-W509 HydrophobicContact CG-CD2 3.43Å; R455-W509 VanDerWaalsContact CG-CD2 3.43Å; R455-W509 HydrophobicContact CG-CE3 3.92Å; R455-W509 HydrophobicContact CG-CG 3.82Å; R455-W509 HydrophobicContact CG-CH2 4.09Å; R455-W509 HydrophobicContact CG-CZ2 3.6Å; R455-W509 HydrophobicContact CG-CZ3 4.22Å
456	Q	83	Confident	92.1	Very high	173 Å²	173	46.2 Å²	46.2	81%	0.808	26%	0.258	S	S	*	.	S	Bend	trans	-72.7	-26.6	175	-63.8	-176.3	4	0	0	111.5
457	T	85.4	Confident	92.1	Very high	33 Å²	33	45 Å²	45	20%	0.202	24%	0.244	C	C	.	.	S	Bend	trans	-109.7	135.9	-179.6	69.1	0	0	0	0	111.7	R455 R459 E500	R455-T457 VanDerWaalsContact C-N 3.27Å; T457-R459 PolarHBondContact OG1-NE 3.28Å; T457-E500 PolarHBondContact OG1-OE1 2.95Å; T457-E500 PolarHBondContact OG1-OE2 3.21Å
458	S	87.2	Confident	91.9	Very high	25 Å²	25	44.7 Å²	44.7	18%	0.175	26%	0.256	C	S	.	.			trans	-91.2	120	171.1	-175.3	0	0	0	0	109.7	L436 I479	L436-S458 WeakPolarHBondContact CB-OG 2.99Å; S458-I479 PolarHBondContact O-N 2.94Å
459	R	87.6	Confident	91.8	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	148.2	-176.5	-62	-172.1	-78.6	165.3	-6.1	113.5	L436 T457 Y473 G475 L477 T498 E500	L436-R459 VanDerWaalsContact CA-O 3.23Å; L436-R459 WeakPolarHBondContact CA-O 3.22Å; L436-R459 PolarHBondContact N-O 3.27Å; L436-R459 VanDerWaalsContact N-O 3.14Å; L436-R459 PolarHBondContact O-N 3Å; L436-R459 VanDerWaalsContact O-N 3.07Å; T457-R459 PolarHBondContact OG1-NE 3.28Å; R459-Y473 HydrophobicContact CB-CE1 4.13Å; R459-Y473 PolarHBondContact NH2-O 2.65Å; R459-Y473 VanDerWaalsContact NH2-O 3.15Å; R459-Y473 PolarHBondContact O-OH 3.09Å; R459-G475 WeakPolarHBondContact CD-O 3.17Å; R459-G475 PolarHBondContact NH1-O 2.83Å; R459-L477 CarbonylContact C-O 3.51Å; R459-L477 WeakPolarHBondContact CA-O 3.31Å; R459-T498 PolarHBondContact NH1-O 3.42Å; R459-T498 PolarHBondContact NH1-OG1 2.86Å; R459-E500 IonicContact CZ-OE2 3.68Å; R459-E500 IonicContact NE-OE2 2.86Å; R459-E500 PolarHBondContact NE-OE2 3.4Å; R459-E500 VanDerWaalsContact NH2-CD 3.33Å; R459-E500 IonicContact NH2-OE2 2.75Å; R459-E500 PolarHBondContact NH2-OE2 2.92Å
460	S	84.1	Confident	91.8	Very high	6 Å²	6	45.8 Å²	45.8	4%	0.042	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	161.5	170.2	-71.7	0	0	0	0	112	L436 A462 G476 L477 I479	L436-S460 WeakPolarHBondContact CD2-OG 3.37Å; S460-A462 PolarHBondContact O-N 3.08Å; S460-A462 VanDerWaalsContact O-N 3.14Å; S460-G476 CarbonylContact O-C 3.42Å; S460-G476 WeakPolarHBondContact O-CA 3.44Å; S460-L477 PolarHBondContact N-O 3.25Å; S460-L477 PolarHBondContact O-N 2.83Å; S460-I479 WeakPolarHBondContact OG-CD1 3.13Å
461	F	83.4	Confident	91.8	Very high	100 Å²	100	42.6 Å²	42.6	44%	0.439	24%	0.24	S	C	.	.	S	Bend	trans	61.6	13.7	179.7	-50.8	-73.4	0	0	0	116.1	W421 L487	W421-F461 HydrophobicContact CB-CD1 4.27Å; W421-F461 HydrophobicContact CB-CE1 4.2Å; W421-F461 AromaticContact CD1-CE1 3.46Å; W421-F461 VanDerWaalsContact CD1-CE1 3.46Å; W421-F461 AromaticContact CD2-CE1 3.71Å; W421-F461 HydrophobicContact CD2-CE1 3.71Å; W421-F461 AromaticContact CD2-CZ 3.76Å; W421-F461 HydrophobicContact CD2-CZ 3.76Å; W421-F461 AromaticContact CE2-CE1 3.77Å; W421-F461 AromaticContact CE2-CZ 3.82Å; W421-F461 HydrophobicContact CE3-CZ 4.17Å; W421-F461 HydrophobicContact CG-CD1 4.04Å; W421-F461 AromaticContact CG-CE1 3.5Å; W421-F461 HydrophobicContact CG-CE1 3.5Å; W421-F461 HydrophobicContact CG-CZ 4.05Å; W421-F461 HydrophobicContact CZ2-CZ 4.28Å; W421-F461 AromaticContact NE1-CE1 3.63Å; F461-L487 HydrophobicContact CE2-CD2 3.81Å; F461-L487 HydrophobicContact CZ-CD2 4.03Å
462	A	89.1	Confident	91.8	Very high	16 Å²	16	38.3 Å²	38.3	13%	0.132	22%	0.22	C	C	.	.			trans	-72.8	160.5	176.5	0	0	0	0	0	111.9	S460 Y473 I474 G475	S460-A462 PolarHBondContact O-N 3.08Å; S460-A462 VanDerWaalsContact O-N 3.14Å; A462-Y473 HydrophobicContact CB-CD1 3.68Å; A462-Y473 HydrophobicContact CB-CE1 2.96Å; A462-Y473 HydrophobicContact CB-CE2 4.04Å; A462-Y473 WeakPolarHBondContact CB-OH 3.48Å; A462-I474 WeakPolarHBondContact CB-O 3.48Å; A462-G475 VanDerWaalsContact CB-O 3.31Å; A462-G475 WeakPolarHBondContact CB-O 3.34Å
463	S	92.1	Very high	91.8	Very high	21 Å²	21	37 Å²	37	15%	0.147	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	150.3	169.9	-161.6	0	0	0	0	109.8	I474 A527	S463-I474 PolarHBondContact N-O 3.19Å; S463-I474 PolarHBondContact O-N 2.97Å; S463-A527 PolarHBondContact OG-N 2.76Å
464	A	94.6	Very high	91.7	Very high	18 Å²	18	35.7 Å²	35.7	15%	0.149	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	150.3	170.5	0	0	0	0	0	111.3	A423 V425 M434 F472 Y473	A423-A464 HydrophobicContact CB-CB 3.82Å; V425-A464 HydrophobicContact CG1-CB 3.79Å; M434-A464 HydrophobicContact CE-CB 3.53Å; A464-F472 CarbonylContact C-O 3.46Å; A464-F472 WeakPolarHBondContact CA-O 3.33Å; A464-Y473 HydrophobicContact CB-CD2 4.17Å
465	A	96.1	Very high	91.5	Very high	9 Å²	9	31 Å²	31	7%	0.074	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	145.1	171.8	0	0	0	0	0	110	F472 A527 L534	A465-F472 PolarHBondContact N-O 2.83Å; A465-F472 PolarHBondContact O-N 2.99Å; A465-A527 HydrophobicContact CB-CB 3.71Å; A465-L534 HydrophobicContact CB-CD1 3.79Å
466	A	96.6	Very high	91.3	Very high	29 Å²	29	31 Å²	31	24%	0.24	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	135.1	170.8	0	0	0	0	0	109.6	V425 V426 V427 K470 V529	V425-A466 HydrophobicContact CB-CB 4.15Å; V425-A466 HydrophobicContact CG2-CB 4.43Å; V426-A466 WeakPolarHBondContact O-CB 3.27Å; V427-A466 HydrophobicContact CG2-CB 3.56Å; A466-K470 WeakPolarHBondContact CA-O 3.27Å; A466-V529 WeakPolarHBondContact O-CG2 3.37Å
467	F	96.2	Very high	91.3	Very high	50 Å²	50	25.1 Å²	25.1	22%	0.219	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	118.6	174.6	-177.9	-106.5	0	0	0	110.2	K470 F472 V529 N532 L534	F467-K470 PolarHBondContact N-O 2.96Å; F467-K470 PolarHBondContact O-N 2.69Å; F467-F472 HydrophobicContact CB-CD2 4.32Å; F467-F472 HydrophobicContact CB-CE2 3.88Å; F467-V529 HydrophobicContact CB-CG2 4.17Å; F467-V529 HydrophobicContact CD2-CG1 3.83Å; F467-V529 HydrophobicContact CD2-CG2 4.12Å; F467-V529 HydrophobicContact CE2-CG1 4.22Å; F467-N532 VanDerWaalsContact CE2-O 3.28Å; F467-N532 WeakPolarHBondContact CE2-O 3.33Å; F467-N532 VanDerWaalsContact CZ-O 3.25Å; F467-N532 WeakPolarHBondContact CZ-O 3.41Å; F467-L534 HydrophobicContact CB-CB 4.29Å; F467-L534 HydrophobicContact CD1-CB 4.23Å; F467-L534 HydrophobicContact CG-CB 4.17Å
468	G	93.5	Very high	91.1	Very high	58 Å²	58	27.7 Å²	27.7	60%	0.598	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.1	-139.3	-166.5	0	0	0	0	0	111.4	K470	G468-K470 PolarHBondContact O-N 3.19Å
469	D	95.5	Very high	90.7	Very high	68 Å²	68	29.6 Å²	29.6	36%	0.364	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	29.3	178.7	-56	-23.8	0	0	0	112.9	H428 V504 N505	H428-D469 IonicContact CD2-OD1 2.85Å; H428-D469 IonicContact CE1-OD1 3.3Å; H428-D469 PolarHBondContact CE1-OD1 2.83Å; H428-D469 IonicContact NE2-OD1 2.68Å; H428-D469 PolarHBondContact NE2-OD1 3.01Å; D469-V504 WeakPolarHBondContact O-CB 3.24Å; D469-V504 WeakPolarHBondContact O-CG2 2.99Å; D469-V504 PolarHBondContact O-N 3.01Å; D469-V504 VanDerWaalsContact O-N 3.13Å; D469-N505 PolarHBondContact OD2-ND2 3.14Å; D469-N505 VanDerWaalsContact OD2-ND2 3.13Å
470	K	96.9	Very high	89.9	Confident	36 Å²	36	32.7 Å²	32.7	16%	0.157	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	146.2	-172.4	-57.7	-165.3	-166.6	-47	0	112.2	A466 F467 G468 F472 I501 Y502 D503 L556	A466-K470 WeakPolarHBondContact CA-O 3.27Å; F467-K470 PolarHBondContact N-O 2.96Å; F467-K470 PolarHBondContact O-N 2.69Å; G468-K470 PolarHBondContact O-N 3.19Å; K470-F472 HydrophobicContact CB-CE2 3.77Å; K470-F472 HydrophobicContact CB-CZ 4.2Å; K470-I501 HydrophobicContact CB-CG2 3.99Å; K470-I501 HydrophobicContact CD-CG2 3.82Å; K470-I501 HydrophobicContact CG-CG2 4.34Å; K470-Y502 VanDerWaalsContact CA-O 3.29Å; K470-Y502 WeakPolarHBondContact CA-O 3.21Å; K470-D503 IonicContact NZ-OD1 3.41Å; K470-D503 IonicContact NZ-OD2 2.71Å; K470-D503 PolarHBondContact NZ-OD2 3.35Å; K470-L556 HydrophobicContact CD-CD1 4.14Å
471	I	97.2	Very high	88.7	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	127.4	174.4	-59.6	171.2	0	0	0	108.3	V425 V427 Y432 M434 I501 Y502 V504	V425-I471 HydrophobicContact CG2-CB 4.38Å; V425-I471 HydrophobicContact CG2-CD1 3.74Å; V425-I471 HydrophobicContact CG2-CG1 3.85Å; V425-I471 HydrophobicContact CG2-CG2 3.7Å; V427-I471 HydrophobicContact CG2-CD1 4.03Å; V427-I471 HydrophobicContact CG2-CG1 3.68Å; Y432-I471 HydrophobicContact CD1-CD1 3.82Å; Y432-I471 HydrophobicContact CD2-CD1 3.63Å; Y432-I471 HydrophobicContact CE1-CD1 4.42Å; Y432-I471 HydrophobicContact CE2-CD1 4.26Å; Y432-I471 HydrophobicContact CG-CD1 3.38Å; M434-I471 HydrophobicContact CE-CG2 3.83Å; M434-I471 HydrophobicContact SD-CG2 3.82Å; I471-I501 CarbonylContact O-C 3.55Å; I471-I501 WeakPolarHBondContact O-CA 2.89Å; I471-Y502 HydrophobicContact CB-CD1 4.39Å; I471-Y502 HydrophobicContact CD1-CD1 3.95Å; I471-Y502 HydrophobicContact CD1-CE1 4.46Å; I471-Y502 HydrophobicContact CG1-CD1 4.37Å; I471-Y502 PolarHBondContact N-O 3.35Å; I471-Y502 PolarHBondContact O-N 3.44Å; I471-V504 HydrophobicContact CD1-CG2 4.21Å; I471-V504 HydrophobicContact CG1-CG2 4.18Å
472	F	95.9	Very high	87	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	121.3	-179.9	-63.6	-100.6	0	0	0	108.5	A464 A465 F467 K470 I474 I501 L534 Y554 L556	A464-F472 CarbonylContact C-O 3.46Å; A464-F472 WeakPolarHBondContact CA-O 3.33Å; A465-F472 PolarHBondContact N-O 2.83Å; A465-F472 PolarHBondContact O-N 2.99Å; F467-F472 HydrophobicContact CB-CD2 4.32Å; F467-F472 HydrophobicContact CB-CE2 3.88Å; K470-F472 HydrophobicContact CB-CE2 3.77Å; K470-F472 HydrophobicContact CB-CZ 4.2Å; F472-I474 HydrophobicContact CB-CD1 4.14Å; F472-I474 HydrophobicContact CB-CG1 4.15Å; F472-I501 HydrophobicContact CD1-CD1 3.84Å; F472-I501 HydrophobicContact CD1-CG1 3.61Å; F472-I501 HydrophobicContact CE1-CD1 3.39Å; F472-I501 HydrophobicContact CE1-CG1 3.68Å; F472-I501 HydrophobicContact CE1-CG2 4.29Å; F472-I501 HydrophobicContact CZ-CD1 4.27Å; F472-I501 HydrophobicContact CZ-CG2 4.44Å; F472-L534 HydrophobicContact CB-CD1 4.49Å; F472-L534 HydrophobicContact CB-CD2 4.03Å; F472-L534 HydrophobicContact CD1-CD2 3.18Å; F472-L534 HydrophobicContact CD2-CD1 4.31Å; F472-L534 HydrophobicContact CD2-CD2 3.64Å; F472-L534 HydrophobicContact CE1-CD2 3.35Å; F472-L534 HydrophobicContact CE2-CD2 3.83Å; F472-L534 HydrophobicContact CG-CD1 4.34Å; F472-L534 HydrophobicContact CG-CD2 3.32Å; F472-L534 HydrophobicContact CG-CG 4.48Å; F472-L534 HydrophobicContact CZ-CD2 3.69Å; F472-Y554 AromaticContact CE1-CD1 3.78Å; F472-Y554 HydrophobicContact CE1-CD1 3.78Å; F472-Y554 AromaticContact CE1-CE1 3.6Å; F472-Y554 HydrophobicContact CE1-CE1 3.6Å; F472-Y554 HydrophobicContact CZ-CD1 4.36Å; F472-Y554 HydrophobicContact CZ-CE1 4.28Å; F472-L556 HydrophobicContact CZ-CD1 4.16Å
473	Y	94.3	Very high	85	Confident	1 Å²	1	44.6 Å²	44.6	0%	0.004	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	111.8	176.6	-165.4	-80.6	0	0	0	110	A423 M434 R455 R459 A462 A464 E500	A423-Y473 HydrophobicContact CB-CE2 4.24Å; M434-Y473 HydrophobicContact CB-CD2 4.08Å; M434-Y473 HydrophobicContact CB-CE2 3.76Å; M434-Y473 HydrophobicContact CE-CD2 4.27Å; M434-Y473 HydrophobicContact CG-CD2 4.45Å; M434-Y473 HydrophobicContact SD-CD2 3.64Å; M434-Y473 HydrophobicContact SD-CE2 4.3Å; R455-Y473 VanDerWaalsContact CZ-CE1 3.42Å; R455-Y473 VanDerWaalsContact NH2-CE1 3.3Å; R455-Y473 PolarHBondContact NH2-OH 3.32Å; R455-Y473 VanDerWaalsContact NH2-OH 3.08Å; R459-Y473 HydrophobicContact CB-CE1 4.13Å; R459-Y473 PolarHBondContact NH2-O 2.65Å; R459-Y473 VanDerWaalsContact NH2-O 3.15Å; R459-Y473 PolarHBondContact O-OH 3.09Å; A462-Y473 HydrophobicContact CB-CD1 3.68Å; A462-Y473 HydrophobicContact CB-CE1 2.96Å; A462-Y473 HydrophobicContact CB-CE2 4.04Å; A462-Y473 WeakPolarHBondContact CB-OH 3.48Å; A464-Y473 HydrophobicContact CB-CD2 4.17Å; Y473-E500 PolarHBondContact N-O 3.38Å; Y473-E500 PolarHBondContact O-N 2.82Å
474	I	93.2	Very high	82.8	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	122.4	-158.5	-56.6	-164.8	0	0	0	110.4	A462 S463 F472 V499 I515 V525 A527 V536 W561	A462-I474 WeakPolarHBondContact CB-O 3.48Å; S463-I474 PolarHBondContact N-O 3.19Å; S463-I474 PolarHBondContact O-N 2.97Å; F472-I474 HydrophobicContact CB-CD1 4.14Å; F472-I474 HydrophobicContact CB-CG1 4.15Å; I474-V499 HydrophobicContact CG1-CG1 4.23Å; I474-V499 HydrophobicContact CG2-CG2 4.36Å; I474-I515 HydrophobicContact CG2-CD1 3.23Å; I474-I515 HydrophobicContact CG2-CG1 4.26Å; I474-V525 HydrophobicContact CG2-CG2 4.15Å; I474-A527 HydrophobicContact CB-CB 4.4Å; I474-A527 HydrophobicContact CD1-CB 3.78Å; I474-A527 HydrophobicContact CG1-CB 4.23Å; I474-V536 HydrophobicContact CD1-CG2 3.61Å; I474-V536 HydrophobicContact CG2-CG2 4.07Å; I474-W561 HydrophobicContact CD1-CH2 4.05Å; I474-W561 HydrophobicContact CD1-CZ2 4.34Å
475	G	89.2	Confident	80.4	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	33%	0.334	C	S	.	.			trans	64.6	-141.7	175.7	0	0	0	0	0	115.1	R459 A462 S496 T498	R459-G475 WeakPolarHBondContact CD-O 3.17Å; R459-G475 PolarHBondContact NH1-O 2.83Å; A462-G475 VanDerWaalsContact CB-O 3.31Å; A462-G475 WeakPolarHBondContact CB-O 3.34Å; G475-S496 WeakPolarHBondContact CA-O 3.41Å; G475-T498 PolarHBondContact N-O 2.7Å
476	G	86.5	Confident	77.6	Confident	9 Å²	9	64.3 Å²	64.3	9%	0.093	37%	0.373	C	S	.	.			trans	84.2	172.2	-171.4	0	0	0	0	0	113.6	S460 S496	S460-G476 CarbonylContact O-C 3.42Å; S460-G476 WeakPolarHBondContact O-CA 3.44Å; G476-S496 WeakPolarHBondContact O-CB 2.96Å; G476-S496 PolarHBondContact O-N 2.94Å
477	L	82.5	Confident	75.1	Confident	48 Å²	48	67 Å²	67	25%	0.251	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	127.8	-177.9	176.6	58.3	0	0	0	110.4	R459 S460 D493	R459-L477 CarbonylContact C-O 3.51Å; R459-L477 WeakPolarHBondContact CA-O 3.31Å; S460-L477 PolarHBondContact N-O 3.25Å; S460-L477 PolarHBondContact O-N 2.83Å; L477-D493 HydrophobicContact CD1-CB 4.33Å; L477-D493 VanDerWaalsContact CD1-O 3.27Å; L477-D493 WeakPolarHBondContact CD1-O 3.44Å
478	H	82.4	Confident	72.2	Confident	87 Å²	87	68 Å²	68	40%	0.403	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	129.8	170.8	-73.7	-84	0	0	0	111	S496	H478-S496 PolarHBondContact NE2-OG 3.36Å
479	I	78.7	Confident	69.7	Low	66 Å²	66	71.9 Å²	71.9	34%	0.338	41%	0.412	S	S	.	.			trans	-109.1	114.6	177	-64.4	170.8	0	0	0	108.4	L436 S458 S460	L436-I479 HydrophobicContact CD2-CD1 3.47Å; L436-I479 VanDerWaalsContact CD2-CD1 3.47Å; S458-I479 PolarHBondContact O-N 2.94Å; S460-I479 WeakPolarHBondContact OG-CD1 3.13Å
480	A	69.9	Low	66.9	Low	65 Å²	65	70.5 Å²	70.5	54%	0.537	41%	0.413	S	S	.	.			trans	-73.2	134.1	171.5	0	0	0	0	0	109.9	N482 S483	A480-N482 PolarHBondContact O-N 3.07Å; A480-N482 VanDerWaalsContact O-N 3.13Å; A480-S483 PolarHBondContact O-OG 2.99Å
481	T	58.3	Low	64	Low	134 Å²	134	74.4 Å²	74.4	82%	0.822	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-19	-176.5	48.7	0	0	0	0	114.4
482	N	48.6	Very low	61.3	Low	157 Å²	157	79.5 Å²	79.5	84%	0.84	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.1	0.5	-172.3	-80.7	-2.3	0	0	0	116	A480	A480-N482 PolarHBondContact O-N 3.07Å; A480-N482 VanDerWaalsContact O-N 3.13Å
483	S	46.9	Very low	58.7	Low	81 Å²	81	84.7 Å²	84.7	57%	0.566	50%	0.499	S	S	*	.	S	Bend	trans	-97.5	110.5	174.1	45.3	0	0	0	0	109.8	A480 I485	A480-S483 PolarHBondContact O-OG 2.99Å; S483-I485 PolarHBondContact O-N 3.02Å
484	G	46.2	Very low	56.4	Low	67 Å²	67	87.3 Å²	87.3	69%	0.691	53%	0.527	S	S	*	.			trans	-47.5	139.8	173.2	0	0	0	0	0	111.3	R486	G484-R486 VanDerWaalsContact C-N 3.28Å; G484-R486 PolarHBondContact O-N 2.88Å
485	I	44.3	Very low	54.6	Low	158 Å²	158	88.9 Å²	88.9	81%	0.81	54%	0.538	S	S	*	.	S	Bend	trans	-55.5	85.5	-172.5	-54.2	166.5	0	0	0	110.5	S483 L487	S483-I485 PolarHBondContact O-N 3.02Å; I485-L487 HydrophobicContact CG2-CD1 4.31Å
486	R	37.3	Very low	53.8	Low	237 Å²	237	89.6 Å²	89.6	89%	0.894	54%	0.543	S	S	*	.			trans	-126.4	87.9	158.3	-71.9	-168.1	-174.7	-141.3	2.6	105.4	G484	G484-R486 VanDerWaalsContact C-N 3.28Å; G484-R486 PolarHBondContact O-N 2.88Å
487	L	44.7	Very low	53.8	Low	86 Å²	86	90.9 Å²	90.9	45%	0.45	55%	0.549	S	S	.	.			trans	-54.4	128.4	160.8	-77.3	113.5	0	0	0	106.9	W421 F461 I485 S489	W421-L487 HydrophobicContact CH2-CD1 3.92Å; W421-L487 HydrophobicContact CZ3-CD1 4.2Å; F461-L487 HydrophobicContact CE2-CD2 3.81Å; F461-L487 HydrophobicContact CZ-CD2 4.03Å; I485-L487 HydrophobicContact CG2-CD1 4.31Å; L487-S489 PolarHBondContact O-N 2.87Å
488	P	34.2	Very low	54.1	Low	71 Å²	71	89.8 Å²	89.8	46%	0.461	54%	0.544	S	S	.	.			trans	-52.1	128.5	172.5	-23.6	32.4	0	0	0	108.8	G490	P488-G490 PolarHBondContact O-N 3.17Å
489	S	40.8	Very low	54.7	Low	139 Å²	139	85.7 Å²	85.7	97%	0.972	53%	0.525	S	S	*	.	S	Bend	trans	-70.4	13.6	-178.7	69.5	0	0	0	0	113.7	L487	L487-S489 PolarHBondContact O-N 2.87Å
490	G	37.8	Very low	55.4	Low	38 Å²	38	82.7 Å²	82.7	39%	0.392	51%	0.51	S	S	.	.	S	Bend	trans	-143.4	128.9	167.8	0	0	0	0	0	106.1	P488 V492	P488-G490 PolarHBondContact O-N 3.17Å; G490-V492 PolarHBondContact O-N 2.84Å
491	T	35.2	Very low	56.7	Low	119 Å²	119	79.7 Å²	79.7	73%	0.73	48%	0.484	S	S	*	.			trans	-59.1	83.3	177.8	49.1	0	0	0	0	110.8
492	V	39.9	Very low	58.5	Low	106 Å²	106	73.3 Å²	73.3	64%	0.642	45%	0.445	S	S	*	.			trans	-129.7	116.3	167.8	-171.8	0	0	0	0	102.6	G490	G490-V492 PolarHBondContact O-N 2.84Å
493	D	42.6	Very low	60.8	Low	110 Å²	110	67 Å²	67	59%	0.588	41%	0.411	S	S	*	.	S	Bend	trans	153.5	115.7	149.7	-71.7	-20.5	0	0	0	109.5	L477 S495	L477-D493 HydrophobicContact CD1-CB 4.33Å; L477-D493 VanDerWaalsContact CD1-O 3.27Å; L477-D493 WeakPolarHBondContact CD1-O 3.44Å; D493-S495 PolarHBondContact O-N 3.36Å
494	G	45.1	Very low	63.2	Low	56 Å²	56	64 Å²	64	58%	0.577	39%	0.389	S	S	*	.			trans	41.2	70.5	156.5	0	0	0	0	0	117.7	S496	G494-S496 PolarHBondContact O-N 2.92Å
495	S	55.8	Low	65.6	Low	33 Å²	33	65.8 Å²	65.8	23%	0.231	38%	0.383	C	S	.	.			trans	-57.1	107.6	155.5	36.4	0	0	0	0	108.7	D493 D522 P523	D493-S495 PolarHBondContact O-N 3.36Å; S495-D522 PolarHBondContact OG-OD1 2.91Å; S495-P523 WeakPolarHBondContact CB-O 3.02Å; S495-P523 WeakPolarHBondContact OG-CD 3.28Å; S495-P523 PolarHBondContact OG-O 2.83Å; S495-P523 VanDerWaalsContact OG-O 3.08Å
496	S	71.6	Confident	68.1	Low	15 Å²	15	64.7 Å²	64.7	11%	0.105	37%	0.373	C	S	.	.			trans	-68.8	143.2	-176.3	-169.6	0	0	0	0	110.4	G475 G476 H478 G494 T498	G475-S496 WeakPolarHBondContact CA-O 3.41Å; G476-S496 WeakPolarHBondContact O-CB 2.96Å; G476-S496 PolarHBondContact O-N 2.94Å; H478-S496 PolarHBondContact NE2-OG 3.36Å; G494-S496 PolarHBondContact O-N 2.92Å; S496-T498 VanDerWaalsContact C-N 3.3Å; S496-T498 WeakPolarHBondContact OG-CB 3.4Å; S496-T498 WeakPolarHBondContact OG-CG2 3.29Å; S496-T498 PolarHBondContact OG-N 3.26Å; S496-T498 VanDerWaalsContact OG-N 3.09Å; S496-T498 PolarHBondContact OG-OG1 3.09Å
497	V	86.4	Confident	70.9	Confident	36 Å²	36	56.5 Å²	56.5	22%	0.218	35%	0.347	C	S	.	.			trans	-91.6	4.6	166.8	-68.4	0	0	0	0	111.9	N514 I515 A517 P523	V497-N514 HydrophobicContact CB-CB 4.4Å; V497-N514 HydrophobicContact CG2-CB 3.97Å; V497-N514 VanDerWaalsContact O-CA 3.32Å; V497-N514 WeakPolarHBondContact O-CA 3.34Å; V497-I515 HydrophobicContact CB-CB 4.14Å; V497-I515 HydrophobicContact CG1-CB 4.37Å; V497-I515 PolarHBondContact O-N 3.23Å; V497-A517 HydrophobicContact CG1-CB 3.53Å; V497-P523 HydrophobicContact CG1-CG 3.98Å
498	T	90.8	Very high	73.4	Confident	25 Å²	25	58 Å²	58	15%	0.153	35%	0.352	C	S	.	.			trans	-71.1	138.8	-175.5	57.7	0	0	0	0	112.3	R459 G475 S496 N514	R459-T498 PolarHBondContact NH1-O 3.42Å; R459-T498 PolarHBondContact NH1-OG1 2.86Å; G475-T498 PolarHBondContact N-O 2.7Å; S496-T498 VanDerWaalsContact C-N 3.3Å; S496-T498 WeakPolarHBondContact OG-CB 3.4Å; S496-T498 WeakPolarHBondContact OG-CG2 3.29Å; S496-T498 PolarHBondContact OG-N 3.26Å; S496-T498 VanDerWaalsContact OG-N 3.09Å; S496-T498 PolarHBondContact OG-OG1 3.09Å; T498-N514 WeakPolarHBondContact CA-OD1 3.48Å
499	V	93.8	Very high	76.3	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	124.7	179.1	-176.7	0	0	0	0	108.5	I474 I501 M511 A512 A513 I515 W561	I474-V499 HydrophobicContact CG1-CG1 4.23Å; I474-V499 HydrophobicContact CG2-CG2 4.36Å; V499-I501 HydrophobicContact CG1-CG1 4.4Å; V499-M511 WeakPolarHBondContact O-CE 3.39Å; V499-A512 HydrophobicContact CB-CB 4.16Å; V499-A512 HydrophobicContact CG1-CB 3.94Å; V499-A512 PolarHBondContact O-N 2.72Å; V499-A513 WeakPolarHBondContact CG2-O 3.48Å; V499-I515 HydrophobicContact CG2-CD1 4.47Å; V499-I515 HydrophobicContact CG2-CG1 3.97Å; V499-W561 HydrophobicContact CG2-CZ2 3.96Å
500	E	94.4	Very high	78.9	Confident	4 Å²	4	54.6 Å²	54.6	2%	0.019	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	135.8	170.6	-73.3	172.7	133.7	0	0	107.8	R455 T457 R459 Y473 W509 K510 M511	R455-E500 WeakPolarHBondContact CD-OE2 3.46Å; R455-E500 IonicContact CZ-OE2 3.42Å; R455-E500 IonicContact NH1-OE2 3.68Å; R455-E500 PolarHBondContact NH1-OE2 2.94Å; T457-E500 PolarHBondContact OG1-OE1 2.95Å; T457-E500 PolarHBondContact OG1-OE2 3.21Å; R459-E500 IonicContact CZ-OE2 3.68Å; R459-E500 IonicContact NE-OE2 2.86Å; R459-E500 PolarHBondContact NE-OE2 3.4Å; R459-E500 VanDerWaalsContact NH2-CD 3.33Å; R459-E500 IonicContact NH2-OE2 2.75Å; R459-E500 PolarHBondContact NH2-OE2 2.92Å; Y473-E500 PolarHBondContact N-O 3.38Å; Y473-E500 PolarHBondContact O-N 2.82Å; E500-W509 HydrophobicContact CB-CE3 3.76Å; E500-W509 HydrophobicContact CB-CZ3 3.95Å; E500-K510 WeakPolarHBondContact CA-O 3.39Å; E500-M511 HydrophobicContact CG-CE 4.4Å; E500-M511 HydrophobicContact CG-SD 3.59Å; E500-M511 VanDerWaalsContact CG-SD 3.59Å
501	I	95.7	Very high	81.6	Confident	1 Å²	1	57.1 Å²	57.1	1%	0.005	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	126.6	178.3	-57.9	178.5	0	0	0	108.1	K470 I471 F472 V499 W509 K510 A512 Y554	K470-I501 HydrophobicContact CB-CG2 3.99Å; K470-I501 HydrophobicContact CD-CG2 3.82Å; K470-I501 HydrophobicContact CG-CG2 4.34Å; I471-I501 CarbonylContact O-C 3.55Å; I471-I501 WeakPolarHBondContact O-CA 2.89Å; F472-I501 HydrophobicContact CD1-CD1 3.84Å; F472-I501 HydrophobicContact CD1-CG1 3.61Å; F472-I501 HydrophobicContact CE1-CD1 3.39Å; F472-I501 HydrophobicContact CE1-CG1 3.68Å; F472-I501 HydrophobicContact CE1-CG2 4.29Å; F472-I501 HydrophobicContact CZ-CD1 4.27Å; F472-I501 HydrophobicContact CZ-CG2 4.44Å; V499-I501 HydrophobicContact CG1-CG1 4.4Å; I501-W509 CarbonylContact O-C 3.56Å; I501-W509 WeakPolarHBondContact O-CA 3.13Å; I501-K510 HydrophobicContact CB-CG 3.97Å; I501-K510 PolarHBondContact N-O 2.9Å; I501-K510 PolarHBondContact O-N 2.8Å; I501-A512 HydrophobicContact CD1-CB 3.42Å; I501-A512 VanDerWaalsContact CD1-CB 3.42Å; I501-A512 HydrophobicContact CG1-CB 3.7Å; I501-Y554 HydrophobicContact CD1-CE1 4.11Å; I501-Y554 WeakPolarHBondContact CD1-OH 3.44Å
502	Y	97.2	Very high	84.4	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	128.6	169.5	177.1	-107.9	0	0	0	110.2	Y432 M439 M452 A453 K470 I471 V504 N507 E508 W509	Y432-Y502 HydrophobicContact CD1-CE1 4.4Å; Y432-Y502 HydrophobicContact CE1-CE1 4.02Å; M439-Y502 HydrophobicContact CE-CD1 3.75Å; M439-Y502 HydrophobicContact CE-CD2 3.47Å; M439-Y502 VanDerWaalsContact CE-CD2 3.47Å; M439-Y502 HydrophobicContact CE-CE1 3.58Å; M439-Y502 HydrophobicContact CE-CE2 3.28Å; M439-Y502 HydrophobicContact CE-CG 3.67Å; M439-Y502 HydrophobicContact SD-CD1 4.4Å; M452-Y502 WeakPolarHBondContact CE-OH 3.41Å; A453-Y502 HydrophobicContact CB-CE2 4.34Å; K470-Y502 VanDerWaalsContact CA-O 3.29Å; K470-Y502 WeakPolarHBondContact CA-O 3.21Å; I471-Y502 HydrophobicContact CB-CD1 4.39Å; I471-Y502 HydrophobicContact CD1-CD1 3.95Å; I471-Y502 HydrophobicContact CD1-CE1 4.46Å; I471-Y502 HydrophobicContact CG1-CD1 4.37Å; I471-Y502 PolarHBondContact N-O 3.35Å; I471-Y502 PolarHBondContact O-N 3.44Å; Y502-V504 HydrophobicContact CD1-CG2 3.9Å; Y502-V504 HydrophobicContact CE1-CB 4.33Å; Y502-V504 HydrophobicContact CE1-CG2 3.89Å; Y502-N507 WeakPolarHBondContact CE2-OD1 3.41Å; Y502-N507 WeakPolarHBondContact OH-CA 3.47Å; Y502-N507 PolarHBondContact OH-OD1 3.46Å; Y502-E508 WeakPolarHBondContact CA-O 3.34Å; Y502-E508 WeakPolarHBondContact CD2-O 3.49Å; Y502-W509 AromaticContact CD2-CD1 3.84Å; Y502-W509 AromaticContact CD2-CD2 3.98Å; Y502-W509 HydrophobicContact CD2-CD2 3.98Å; Y502-W509 AromaticContact CD2-CE2 3.68Å; Y502-W509 HydrophobicContact CD2-CG 4.09Å; Y502-W509 HydrophobicContact CD2-CZ2 4.23Å; Y502-W509 AromaticContact CD2-NE1 3.56Å; Y502-W509 HydrophobicContact CG-CD2 4.28Å; Y502-W509 AromaticContact CG-CE2 3.99Å; Y502-W509 HydrophobicContact CG-CZ2 4.13Å
503	D	96.6	Very high	87	Confident	24 Å²	24	48.1 Å²	48.1	13%	0.128	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	110.4	172.6	-164.4	-44.9	0	0	0	109.4	K470 N505 K506 N507 E508	K470-D503 IonicContact NZ-OD1 3.41Å; K470-D503 IonicContact NZ-OD2 2.71Å; K470-D503 PolarHBondContact NZ-OD2 3.35Å; D503-N505 VanDerWaalsContact C-N 3.26Å; D503-N505 PolarHBondContact O-N 3.01Å; D503-N505 PolarHBondContact OD1-N 3.21Å; D503-K506 HydrophobicContact CB-CB 4.17Å; D503-K506 HydrophobicContact CB-CG 4.45Å; D503-K506 PolarHBondContact O-N 3.15Å; D503-K506 PolarHBondContact OD1-N 3.01Å; D503-N507 PolarHBondContact O-N 2.99Å; D503-E508 PolarHBondContact N-O 2.74Å
504	V	96.7	Very high	89.4	Confident	18 Å²	18	47 Å²	47	11%	0.109	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-35.4	-174.1	175.5	0	0	0	0	111.6	V427 Y432 D469 I471 Y502	V427-V504 HydrophobicContact CB-CG2 4.27Å; V427-V504 HydrophobicContact CG1-CG1 4.38Å; V427-V504 HydrophobicContact CG1-CG2 3.98Å; V427-V504 HydrophobicContact CG2-CG2 4.34Å; Y432-V504 WeakPolarHBondContact OH-CG1 3.17Å; D469-V504 WeakPolarHBondContact O-CB 3.24Å; D469-V504 WeakPolarHBondContact O-CG2 2.99Å; D469-V504 PolarHBondContact O-N 3.01Å; D469-V504 VanDerWaalsContact O-N 3.13Å; I471-V504 HydrophobicContact CD1-CG2 4.21Å; I471-V504 HydrophobicContact CG1-CG2 4.18Å; Y502-V504 HydrophobicContact CD1-CG2 3.9Å; Y502-V504 HydrophobicContact CE1-CB 4.33Å; Y502-V504 HydrophobicContact CE1-CG2 3.89Å
505	N	96.5	Very high	91.7	Very high	105 Å²	105	44.5 Å²	44.5	56%	0.561	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-26	-177.6	-63.3	-35.3	0	0	0	112.6	D469 D503	D469-N505 PolarHBondContact OD2-ND2 3.14Å; D469-N505 VanDerWaalsContact OD2-ND2 3.13Å; D503-N505 VanDerWaalsContact C-N 3.26Å; D503-N505 PolarHBondContact O-N 3.01Å; D503-N505 PolarHBondContact OD1-N 3.21Å
506	K	96.4	Very high	93.4	Very high	135 Å²	135	45.4 Å²	45.4	59%	0.587	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.1	-16.3	-178.3	-61.1	-177.1	-179.2	-179.3	0	113.7	D503 E508	D503-K506 HydrophobicContact CB-CB 4.17Å; D503-K506 HydrophobicContact CB-CG 4.45Å; D503-K506 PolarHBondContact O-N 3.15Å; D503-K506 PolarHBondContact OD1-N 3.01Å; K506-E508 VanDerWaalsContact C-N 3.33Å; K506-E508 HydrophobicContact CB-CB 4.18Å; K506-E508 HydrophobicContact CB-CG 4.17Å
507	N	96.6	Very high	94.1	Very high	66 Å²	66	46.3 Å²	46.3	35%	0.353	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	50.1	-168.7	-174.1	28.1	0	0	0	111.7	M452 A453 Y502 D503	M452-N507 HydrophobicContact CE-CB 4.48Å; A453-N507 WeakPolarHBondContact CB-O 3.47Å; A453-N507 VanDerWaalsContact CB-OD1 3.27Å; A453-N507 WeakPolarHBondContact CB-OD1 3.46Å; A453-N507 PolarHBondContact N-OD1 2.89Å; Y502-N507 WeakPolarHBondContact CE2-OD1 3.41Å; Y502-N507 WeakPolarHBondContact OH-CA 3.47Å; Y502-N507 PolarHBondContact OH-OD1 3.46Å; D503-N507 PolarHBondContact O-N 2.99Å
508	E	96.8	Very high	94	Very high	118 Å²	118	49.4 Å²	49.4	55%	0.551	25%	0.254	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137.5	142.9	-176.1	-73	176.4	172.1	0	0	111.3	Y502 D503 K506	Y502-E508 WeakPolarHBondContact CA-O 3.34Å; Y502-E508 WeakPolarHBondContact CD2-O 3.49Å; D503-E508 PolarHBondContact N-O 2.74Å; K506-E508 VanDerWaalsContact C-N 3.33Å; K506-E508 HydrophobicContact CB-CB 4.18Å; K506-E508 HydrophobicContact CB-CG 4.17Å
509	W	96	Very high	93.4	Very high	36 Å²	36	58.2 Å²	58.2	14%	0.136	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	140.5	171.1	-71.2	94.2	0	0	0	110.8	M434 M439 A453 R455 E500 I501 Y502	M434-W509 HydrophobicContact SD-CH2 3.83Å; M434-W509 HydrophobicContact SD-CZ2 4.26Å; M439-W509 HydrophobicContact CE-CZ2 3.68Å; M439-W509 HydrophobicContact SD-CH2 4.37Å; M439-W509 HydrophobicContact SD-CZ2 3.58Å; M439-W509 VanDerWaalsContact SD-CZ2 3.58Å; A453-W509 VanDerWaalsContact O-CD1 3.31Å; A453-W509 PolarHBondContact O-NE1 2.9Å; R455-W509 VanDerWaalsContact CD-CZ2 3.5Å; R455-W509 HydrophobicContact CG-CD2 3.43Å; R455-W509 VanDerWaalsContact CG-CD2 3.43Å; R455-W509 HydrophobicContact CG-CE3 3.92Å; R455-W509 HydrophobicContact CG-CG 3.82Å; R455-W509 HydrophobicContact CG-CH2 4.09Å; R455-W509 HydrophobicContact CG-CZ2 3.6Å; R455-W509 HydrophobicContact CG-CZ3 4.22Å; E500-W509 HydrophobicContact CB-CE3 3.76Å; E500-W509 HydrophobicContact CB-CZ3 3.95Å; I501-W509 CarbonylContact O-C 3.56Å; I501-W509 WeakPolarHBondContact O-CA 3.13Å; Y502-W509 AromaticContact CD2-CD1 3.84Å; Y502-W509 AromaticContact CD2-CD2 3.98Å; Y502-W509 HydrophobicContact CD2-CD2 3.98Å; Y502-W509 AromaticContact CD2-CE2 3.68Å; Y502-W509 HydrophobicContact CD2-CG 4.09Å; Y502-W509 HydrophobicContact CD2-CZ2 4.23Å; Y502-W509 AromaticContact CD2-NE1 3.56Å; Y502-W509 HydrophobicContact CG-CD2 4.28Å; Y502-W509 AromaticContact CG-CE2 3.99Å; Y502-W509 HydrophobicContact CG-CZ2 4.13Å
510	K	94.8	Very high	92.5	Very high	101 Å²	101	67.3 Å²	67.3	44%	0.439	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	150.4	169.1	68.7	175.2	-172.5	167	0	110.9	E500 I501	E500-K510 WeakPolarHBondContact CA-O 3.39Å; I501-K510 HydrophobicContact CB-CG 3.97Å; I501-K510 PolarHBondContact N-O 2.9Å; I501-K510 PolarHBondContact O-N 2.8Å
511	M	94.3	Very high	91.9	Very high	91 Å²	91	68.1 Å²	68.1	45%	0.448	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	145.4	166.7	-69.8	-58.1	-51.2	0	0	110	V499 E500	V499-M511 WeakPolarHBondContact O-CE 3.39Å; E500-M511 HydrophobicContact CG-CE 4.4Å; E500-M511 HydrophobicContact CG-SD 3.59Å; E500-M511 VanDerWaalsContact CG-SD 3.59Å
512	A	94.4	Very high	91.1	Very high	9 Å²	9	70.3 Å²	70.3	7%	0.074	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	174.4	173.8	0	0	0	0	0	110.7	V499 I501 N514 D559	V499-A512 HydrophobicContact CB-CB 4.16Å; V499-A512 HydrophobicContact CG1-CB 3.94Å; V499-A512 PolarHBondContact O-N 2.72Å; I501-A512 HydrophobicContact CD1-CB 3.42Å; I501-A512 VanDerWaalsContact CD1-CB 3.42Å; I501-A512 HydrophobicContact CG1-CB 3.7Å; A512-N514 PolarHBondContact O-N 3.07Å; A512-D559 WeakPolarHBondContact CA-OD1 3.4Å; A512-D559 WeakPolarHBondContact CB-OD1 3.5Å
513	A	94.5	Very high	90.5	Very high	28 Å²	28	70.5 Å²	70.5	23%	0.231	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-56.3	133.2	176.8	0	0	0	0	0	111.8	V499 D559 W561	V499-A513 WeakPolarHBondContact CG2-O 3.48Å; A513-D559 WeakPolarHBondContact CB-O 3.49Å; A513-D559 WeakPolarHBondContact CB-OD1 3.36Å; A513-D559 PolarHBondContact N-OD1 2.99Å; A513-W561 PolarHBondContact O-NE1 3.16Å
514	N	93.4	Very high	90.1	Very high	86 Å²	86	70.3 Å²	70.3	46%	0.46	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-65.2	148.5	175.1	-67.6	-25	0	0	0	110.9	V497 T498 A512	V497-N514 HydrophobicContact CB-CB 4.4Å; V497-N514 HydrophobicContact CG2-CB 3.97Å; V497-N514 VanDerWaalsContact O-CA 3.32Å; V497-N514 WeakPolarHBondContact O-CA 3.34Å; T498-N514 WeakPolarHBondContact CA-OD1 3.48Å; A512-N514 PolarHBondContact O-N 3.07Å
515	I	92.6	Very high	89.8	Confident	4 Å²	4	70 Å²	70	2%	0.021	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-61.5	135.1	173.6	-61.4	163.9	0	0	0	109.2	I474 V497 V499 A517 V525 V536 M538 Y552 W561	I474-I515 HydrophobicContact CG2-CD1 3.23Å; I474-I515 HydrophobicContact CG2-CG1 4.26Å; V497-I515 HydrophobicContact CB-CB 4.14Å; V497-I515 HydrophobicContact CG1-CB 4.37Å; V497-I515 PolarHBondContact O-N 3.23Å; V499-I515 HydrophobicContact CG2-CD1 4.47Å; V499-I515 HydrophobicContact CG2-CG1 3.97Å; I515-A517 PolarHBondContact O-N 3.48Å; I515-V525 HydrophobicContact CD1-CB 4.28Å; I515-V525 HydrophobicContact CD1-CG1 3.86Å; I515-V525 HydrophobicContact CD1-CG2 4.46Å; I515-V536 HydrophobicContact CD1-CG1 3.95Å; I515-V536 HydrophobicContact CD1-CG2 4.15Å; I515-M538 HydrophobicContact CG2-SD 3.84Å; I515-Y552 HydrophobicContact CG2-CD2 4.22Å; I515-W561 HydrophobicContact CG1-CZ2 4.08Å
516	P	91.6	Very high	89.6	Confident	52 Å²	52	66.8 Å²	66.8	34%	0.338	32%	0.317	S	S	.	.			trans	-68.2	94.4	174.9	-16.4	30.6	0	0	0	110.7	Y552 W561	P516-Y552 HydrophobicContact CB-CE1 4.01Å; P516-Y552 HydrophobicContact CG-CD1 4.11Å; P516-Y552 HydrophobicContact CG-CE1 3.99Å; P516-Y552 WeakPolarHBondContact O-CE2 3.35Å; P516-Y552 PolarHBondContact O-OH 2.87Å; P516-W561 VanDerWaalsContact CD-CB 3.47Å; P516-W561 HydrophobicContact CG-CB 3.58Å; P516-W561 HydrophobicContact CG-CG 4.28Å
517	A	86.7	Confident	89.6	Confident	34 Å²	34	60.8 Å²	60.8	28%	0.281	29%	0.293	S	S	.	.			trans	-112.5	152.3	167.8	0	0	0	0	0	110.6	V497 I515 P523 M538	V497-A517 HydrophobicContact CG1-CB 3.53Å; I515-A517 PolarHBondContact O-N 3.48Å; A517-P523 HydrophobicContact CB-CB 4.35Å; A517-P523 HydrophobicContact CB-CG 4.23Å; A517-M538 HydrophobicContact CB-CE 4.3Å; A517-M538 HydrophobicContact CB-SD 4.21Å
518	K	83.7	Confident	89.5	Confident	101 Å²	101	58 Å²	58	44%	0.439	28%	0.279	S	S	.	.			trans	-64.2	152.9	173.6	-64	178.9	-179.1	179.9	0	110.3	S521 E540	K518-S521 PolarHBondContact O-N 2.83Å; K518-S521 PolarHBondContact O-OG 3.07Å; K518-E540 VanDerWaalsContact CB-OE1 3.26Å; K518-E540 WeakPolarHBondContact CB-OE1 3.27Å; K518-E540 WeakPolarHBondContact CG-OE1 3.12Å; K518-E540 PolarHBondContact N-OE1 2.74Å
519	R	78	Confident	89.4	Confident	210 Å²	210	54.9 Å²	54.9	79%	0.792	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	141	170.8	-68	-174.6	-178.9	-163.8	0.7	109.2	S521	R519-S521 PolarHBondContact O-N 2.86Å
520	Y	75.5	Confident	89.4	Confident	190 Å²	190	53.3 Å²	53.3	75%	0.745	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.9	14.1	179.7	-44.5	-70.4	0	0	0	115.4
521	S	81.1	Confident	89.2	Confident	21 Å²	21	50.8 Å²	50.8	15%	0.147	26%	0.257	C	S	.	.			trans	-86	162.8	167.7	69.4	0	0	0	0	111.6	K518 R519 P523 E540 T541	K518-S521 PolarHBondContact O-N 2.83Å; K518-S521 PolarHBondContact O-OG 3.07Å; R519-S521 PolarHBondContact O-N 2.86Å; S521-P523 VanDerWaalsContact O-CD 3.3Å; S521-P523 WeakPolarHBondContact O-CD 3.35Å; S521-E540 VanDerWaalsContact CB-CG 3.44Å; S521-E540 WeakPolarHBondContact CB-OE1 3.3Å; S521-E540 PolarHBondContact OG-OE1 3.44Å; S521-T541 CarbonylContact C-O 3.52Å; S521-T541 WeakPolarHBondContact CA-O 3.42Å
522	D	79.8	Confident	89.2	Confident	47 Å²	47	52.8 Å²	52.8	25%	0.251	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	91.7	173.3	-176.3	14.3	0	0	0	109.9	S495 T541 R577	S495-D522 PolarHBondContact OG-OD1 2.91Å; D522-T541 PolarHBondContact N-O 2.81Å; D522-T541 PolarHBondContact O-N 2.94Å; D522-R577 IonicContact OD2-CZ 3.6Å; D522-R577 IonicContact OD2-NH1 3.15Å; D522-R577 PolarHBondContact OD2-NH1 2.88Å; D522-R577 IonicContact OD2-NH2 2.74Å; D522-R577 PolarHBondContact OD2-NH2 3.21Å
523	P	84.9	Confident	89.2	Confident	5 Å²	5	53.5 Å²	53.5	3%	0.032	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	120.6	-178.7	29.8	-36.4	0	0	0	114	S495 V497 A517 S521 V525 M538 R539	S495-P523 WeakPolarHBondContact CB-O 3.02Å; S495-P523 WeakPolarHBondContact OG-CD 3.28Å; S495-P523 PolarHBondContact OG-O 2.83Å; S495-P523 VanDerWaalsContact OG-O 3.08Å; V497-P523 HydrophobicContact CG1-CG 3.98Å; A517-P523 HydrophobicContact CB-CB 4.35Å; A517-P523 HydrophobicContact CB-CG 4.23Å; S521-P523 VanDerWaalsContact O-CD 3.3Å; S521-P523 WeakPolarHBondContact O-CD 3.35Å; P523-V525 HydrophobicContact CB-CG1 4.33Å; P523-M538 HydrophobicContact CB-CG 4.05Å; P523-M538 HydrophobicContact CB-SD 3.76Å; P523-R539 CarbonylContact C-O 3.47Å; P523-R539 WeakPolarHBondContact CA-O 3.25Å
524	C	87.3	Confident	89.3	Confident	20 Å²	20	52.3 Å²	52.3	14%	0.135	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	117.4	163	-176.9	0	0	0	0	109.7	R526 M538 R539	C524-R526 PolarHBondContact SG-NH1 3.49Å; C524-M538 WeakPolarHBondContact O-CA 3.25Å; C524-R539 HydrophobicContact CB-CB 4.21Å; C524-R539 PolarHBondContact N-O 3.04Å; C524-R539 PolarHBondContact O-N 3.18Å
525	V	91	Very high	89.5	Confident	10 Å²	10	48.2 Å²	48.2	6%	0.061	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	143.8	-171.7	-62.6	0	0	0	0	112.1	I474 I515 P523 V536 M538	I474-V525 HydrophobicContact CG2-CG2 4.15Å; I515-V525 HydrophobicContact CD1-CB 4.28Å; I515-V525 HydrophobicContact CD1-CG1 3.86Å; I515-V525 HydrophobicContact CD1-CG2 4.46Å; P523-V525 HydrophobicContact CB-CG1 4.33Å; V525-V536 HydrophobicContact CB-CG1 3.85Å; V525-V536 HydrophobicContact CG1-CG1 3.99Å; V525-M538 HydrophobicContact CG1-CB 4.24Å; V525-M538 HydrophobicContact CG1-CG 3.85Å; V525-M538 HydrophobicContact CG1-SD 4.14Å
526	R	93.4	Very high	89.6	Confident	38 Å²	38	48 Å²	48	14%	0.143	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	119.1	170.7	-62.2	-66.3	-178.8	-91.1	-4.5	109.2	C524 V536 F537 R577 F579 C581	C524-R526 PolarHBondContact SG-NH1 3.49Å; R526-V536 WeakPolarHBondContact O-CA 3.25Å; R526-F537 HydrophobicContact CB-CB 4.49Å; R526-F537 PolarHBondContact N-O 3.17Å; R526-F537 PolarHBondContact O-N 3.14Å; R526-R577 PolarHBondContact NH2-O 3.23Å; R526-F579 HydrophobicContact CG-CE2 3.77Å; R526-F579 HydrophobicContact CG-CZ 4.28Å; R526-F579 PolarHBondContact NE-O 2.68Å; R526-F579 PolarHBondContact NH2-O 2.94Å; R526-C581 HydrophobicContact CB-CB 3.83Å; R526-C581 HydrophobicContact CG-CB 3.84Å
527	A	94.7	Very high	89.7	Confident	10 Å²	10	45.5 Å²	45.5	8%	0.083	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	127.1	175.1	0	0	0	0	0	109.1	S463 A465 I474	S463-A527 PolarHBondContact OG-N 2.76Å; A465-A527 HydrophobicContact CB-CB 3.71Å; I474-A527 HydrophobicContact CB-CB 4.4Å; I474-A527 HydrophobicContact CD1-CB 3.78Å; I474-A527 HydrophobicContact CG1-CB 4.23Å
528	V	94.9	Very high	90	Very high	8 Å²	8	43.9 Å²	43.9	5%	0.048	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	149.9	-179.9	-67.3	0	0	0	0	110	M269 C535 V583	M269-V528 HydrophobicContact CE-CG2 4.2Å; V528-C535 HydrophobicContact CG2-CB 4.19Å; V528-C535 PolarHBondContact N-O 3.35Å; V528-C535 CarbonylContact O-C 3.56Å; V528-C535 WeakPolarHBondContact O-CA 3.46Å; V528-C535 PolarHBondContact O-N 3.49Å; V528-V583 HydrophobicContact CB-CG2 3.72Å; V528-V583 HydrophobicContact CG1-CG2 4Å; V528-V583 HydrophobicContact CG2-CG2 4.31Å
529	V	95.7	Very high	90.4	Very high	52 Å²	52	39.7 Å²	39.7	32%	0.315	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	122.5	168.2	178.8	0	0	0	0	107.3	A466 F467 S533 L534	A466-V529 WeakPolarHBondContact O-CG2 3.37Å; F467-V529 HydrophobicContact CB-CG2 4.17Å; F467-V529 HydrophobicContact CD2-CG1 3.83Å; F467-V529 HydrophobicContact CD2-CG2 4.12Å; F467-V529 HydrophobicContact CE2-CG1 4.22Å; V529-S533 WeakPolarHBondContact CA-O 2.96Å; V529-L534 HydrophobicContact CG2-CD1 4.35Å
530	I	94.5	Very high	90.9	Very high	2 Å²	2	30.5 Å²	30.5	1%	0.01	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	131.2	-179.7	-171.5	164.4	0	0	0	110.1	E267 M269 P290 N532 S533 C535 R564 V583	E267-I530 HydrophobicContact CB-CD1 4.46Å; E267-I530 HydrophobicContact CB-CG1 4.27Å; M269-I530 HydrophobicContact CE-CD1 4.07Å; M269-I530 HydrophobicContact CE-CG2 4.19Å; M269-I530 HydrophobicContact CG-CD1 4.15Å; P290-I530 HydrophobicContact CG-CD1 3.75Å; I530-N532 VanDerWaalsContact C-N 3.32Å; I530-N532 PolarHBondContact O-N 3.04Å; I530-S533 PolarHBondContact N-O 2.75Å; I530-S533 PolarHBondContact O-N 2.99Å; I530-C535 HydrophobicContact CG2-CB 3.98Å; I530-R564 PolarHBondContact O-NH1 3.04Å; I530-V583 HydrophobicContact CB-CG1 4.29Å; I530-V583 HydrophobicContact CB-CG2 4.38Å; I530-V583 HydrophobicContact CD1-CG1 4.24Å; I530-V583 HydrophobicContact CG1-CG1 4.14Å
531	S	92.6	Very high	91.4	Very high	48 Å²	48	22.9 Å²	22.9	34%	0.336	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	49.2	-174.9	-39.4	0	0	0	0	111.8	E267 S533 R564	E267-S531 WeakPolarHBondContact OE2-CA 2.99Å; E267-S531 PolarHBondContact OE2-N 3.25Å; E267-S531 PolarHBondContact OE2-OG 2.85Å; S531-S533 PolarHBondContact O-N 3.32Å; S531-S533 VanDerWaalsContact O-N 3.14Å; S531-S533 PolarHBondContact O-OG 3.48Å; S531-R564 PolarHBondContact OG-NH2 2.79Å; S531-R564 VanDerWaalsContact OG-NH2 3.16Å
532	N	93	Very high	91.4	Very high	133 Å²	133	24.4 Å²	24.4	71%	0.711	14%	0.136	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.7	34.5	-178.3	-164.6	40.1	0	0	0	113.9	F467 I530	F467-N532 VanDerWaalsContact CE2-O 3.28Å; F467-N532 WeakPolarHBondContact CE2-O 3.33Å; F467-N532 VanDerWaalsContact CZ-O 3.25Å; F467-N532 WeakPolarHBondContact CZ-O 3.41Å; I530-N532 VanDerWaalsContact C-N 3.32Å; I530-N532 PolarHBondContact O-N 3.04Å
533	S	95.5	Very high	91.2	Very high	25 Å²	25	28 Å²	28	18%	0.175	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	135.3	178.6	-62.9	0	0	0	0	110.4	V529 I530 S531 C535 Q553	V529-S533 WeakPolarHBondContact CA-O 2.96Å; I530-S533 PolarHBondContact N-O 2.75Å; I530-S533 PolarHBondContact O-N 2.99Å; S531-S533 PolarHBondContact O-N 3.32Å; S531-S533 VanDerWaalsContact O-N 3.14Å; S531-S533 PolarHBondContact O-OG 3.48Å; S533-C535 PolarHBondContact O-N 3.34Å; S533-Q553 PolarHBondContact OG-NE2 2.9Å
534	L	96.5	Very high	90.6	Very high	2 Å²	2	36 Å²	36	1%	0.01	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	124.3	170.8	178.7	71.4	0	0	0	109.8	A465 F467 F472 V529 Y554	A465-L534 HydrophobicContact CB-CD1 3.79Å; F467-L534 HydrophobicContact CB-CB 4.29Å; F467-L534 HydrophobicContact CD1-CB 4.23Å; F467-L534 HydrophobicContact CG-CB 4.17Å; F472-L534 HydrophobicContact CB-CD1 4.49Å; F472-L534 HydrophobicContact CB-CD2 4.03Å; F472-L534 HydrophobicContact CD1-CD2 3.18Å; F472-L534 HydrophobicContact CD2-CD1 4.31Å; F472-L534 HydrophobicContact CD2-CD2 3.64Å; F472-L534 HydrophobicContact CE1-CD2 3.35Å; F472-L534 HydrophobicContact CE2-CD2 3.83Å; F472-L534 HydrophobicContact CG-CD1 4.34Å; F472-L534 HydrophobicContact CG-CD2 3.32Å; F472-L534 HydrophobicContact CG-CG 4.48Å; F472-L534 HydrophobicContact CZ-CD2 3.69Å; V529-L534 HydrophobicContact CG2-CD1 4.35Å; L534-Y554 HydrophobicContact CD2-CD1 3.99Å; L534-Y554 HydrophobicContact CD2-CG 4.16Å; L534-Y554 PolarHBondContact O-N 3.35Å
535	C	96.4	Very high	90.4	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	159.9	178.4	-61.8	0	0	0	0	111.6	V528 I530 S533 T551 Y552 R564	V528-C535 HydrophobicContact CG2-CB 4.19Å; V528-C535 PolarHBondContact N-O 3.35Å; V528-C535 CarbonylContact O-C 3.56Å; V528-C535 WeakPolarHBondContact O-CA 3.46Å; V528-C535 PolarHBondContact O-N 3.49Å; I530-C535 HydrophobicContact CG2-CB 3.98Å; S533-C535 PolarHBondContact O-N 3.34Å; C535-T551 HydrophobicContact CB-CG2 4.01Å; C535-Y552 CarbonylContact C-O 3.58Å; C535-Y552 WeakPolarHBondContact CA-O 3.32Å; C535-Y552 WeakPolarHBondContact CB-O 3.35Å; C535-R564 PolarHBondContact SG-NH1 3.37Å
536	V	94.9	Very high	89.9	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	122	168.7	169.9	0	0	0	0	108.2	I474 I515 V525 R526 M538 T551 Y552 W561	I474-V536 HydrophobicContact CD1-CG2 3.61Å; I474-V536 HydrophobicContact CG2-CG2 4.07Å; I515-V536 HydrophobicContact CD1-CG1 3.95Å; I515-V536 HydrophobicContact CD1-CG2 4.15Å; V525-V536 HydrophobicContact CB-CG1 3.85Å; V525-V536 HydrophobicContact CG1-CG1 3.99Å; R526-V536 WeakPolarHBondContact O-CA 3.25Å; V536-M538 HydrophobicContact CG1-CB 4.31Å; V536-T551 WeakPolarHBondContact O-CA 3.49Å; V536-Y552 PolarHBondContact N-O 3.31Å; V536-Y552 PolarHBondContact O-N 3.38Å; V536-W561 HydrophobicContact CB-CH2 4.24Å; V536-W561 HydrophobicContact CB-CZ3 4.03Å; V536-W561 HydrophobicContact CG2-CH2 3.34Å; V536-W561 HydrophobicContact CG2-CZ2 4.23Å; V536-W561 HydrophobicContact CG2-CZ3 3.62Å
537	F	94.6	Very high	89.6	Confident	0 Å²	0	42 Å²	42	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	115.2	164.8	-178.3	-95.1	0	0	0	108.1	M269 F271 R526 Y549 I567 L572 L575 F579	M269-F537 HydrophobicContact SD-CB 4.22Å; M269-F537 HydrophobicContact SD-CD2 3.56Å; M269-F537 VanDerWaalsContact SD-CD2 3.56Å; M269-F537 HydrophobicContact SD-CE2 4.23Å; M269-F537 HydrophobicContact SD-CG 4.18Å; F271-F537 AromaticContact CE1-CD1 3.91Å; F271-F537 HydrophobicContact CE1-CD1 3.91Å; F271-F537 HydrophobicContact CE1-CD2 4.47Å; F271-F537 AromaticContact CE1-CE1 3.58Å; F271-F537 HydrophobicContact CE1-CE1 3.58Å; F271-F537 HydrophobicContact CE1-CE2 4.16Å; F271-F537 HydrophobicContact CE1-CG 4.33Å; F271-F537 AromaticContact CE1-CZ 3.71Å; F271-F537 HydrophobicContact CE1-CZ 3.71Å; F271-F537 HydrophobicContact CE2-CE2 4.46Å; F271-F537 HydrophobicContact CE2-CZ 4.24Å; F271-F537 HydrophobicContact CZ-CD1 4.27Å; F271-F537 HydrophobicContact CZ-CD2 4.08Å; F271-F537 AromaticContact CZ-CE1 3.77Å; F271-F537 HydrophobicContact CZ-CE1 3.77Å; F271-F537 AromaticContact CZ-CE2 3.54Å; F271-F537 HydrophobicContact CZ-CE2 3.54Å; F271-F537 HydrophobicContact CZ-CG 4.39Å; F271-F537 AromaticContact CZ-CZ 3.36Å; F271-F537 HydrophobicContact CZ-CZ 3.36Å; R526-F537 HydrophobicContact CB-CB 4.49Å; R526-F537 PolarHBondContact N-O 3.17Å; R526-F537 PolarHBondContact O-N 3.14Å; F537-Y549 AromaticContact CE1-CD1 3.53Å; F537-Y549 HydrophobicContact CE1-CD1 3.53Å; F537-Y549 AromaticContact CE1-CE1 3.8Å; F537-Y549 HydrophobicContact CE1-CE1 3.8Å; F537-Y549 HydrophobicContact CE2-CD1 4.22Å; F537-Y549 AromaticContact CZ-CD1 3.3Å; F537-Y549 HydrophobicContact CZ-CD1 3.3Å; F537-Y549 AromaticContact CZ-CE1 3.87Å; F537-Y549 HydrophobicContact CZ-CE1 3.87Å; F537-Y549 HydrophobicContact CZ-CG 4.17Å; F537-I567 HydrophobicContact CD2-CD1 4.02Å; F537-I567 HydrophobicContact CE2-CD1 3.41Å; F537-I567 VanDerWaalsContact CE2-CD1 3.41Å; F537-I567 HydrophobicContact CZ-CD1 4.42Å; F537-L572 HydrophobicContact CE2-CD2 4.43Å; F537-L572 HydrophobicContact CZ-CD2 3.94Å; F537-L575 HydrophobicContact CE1-CD1 4.41Å; F537-L575 HydrophobicContact CZ-CD1 4.28Å; F537-F579 AromaticContact CD1-CE2 3.85Å; F537-F579 HydrophobicContact CD1-CE2 3.85Å; F537-F579 AromaticContact CD1-CZ 3.94Å; F537-F579 HydrophobicContact CD1-CZ 3.94Å; F537-F579 AromaticContact CE1-CE2 3.72Å; F537-F579 HydrophobicContact CE1-CE2 3.72Å; F537-F579 AromaticContact CE1-CZ 3.67Å; F537-F579 HydrophobicContact CE1-CZ 3.67Å
538	M	92.9	Very high	89.3	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	125.9	-175.7	-175	171	82	0	0	110.5	I515 A517 P523 C524 V525 V536 E540 Y549 V550 Y552	I515-M538 HydrophobicContact CG2-SD 3.84Å; A517-M538 HydrophobicContact CB-CE 4.3Å; A517-M538 HydrophobicContact CB-SD 4.21Å; P523-M538 HydrophobicContact CB-CG 4.05Å; P523-M538 HydrophobicContact CB-SD 3.76Å; C524-M538 WeakPolarHBondContact O-CA 3.25Å; V525-M538 HydrophobicContact CG1-CB 4.24Å; V525-M538 HydrophobicContact CG1-CG 3.85Å; V525-M538 HydrophobicContact CG1-SD 4.14Å; V536-M538 HydrophobicContact CG1-CB 4.31Å; M538-E540 HydrophobicContact CE-CB 4.18Å; M538-Y549 WeakPolarHBondContact O-CA 3.47Å; M538-V550 HydrophobicContact CB-CG1 3.99Å; M538-V550 HydrophobicContact CE-CG1 3.62Å; M538-V550 PolarHBondContact N-O 2.85Å; M538-V550 PolarHBondContact O-N 3.12Å; M538-Y552 HydrophobicContact CE-CD2 4.48Å; M538-Y552 HydrophobicContact CE-CE2 3.7Å
539	R	91.6	Very high	89.3	Confident	13 Å²	13	45.4 Å²	45.4	5%	0.049	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	117.7	163.2	177.3	-169.9	176.2	-73.5	-1.8	108.1	P523 C524 T541 A547 K548 Y549 D574 G576 F579	P523-R539 CarbonylContact C-O 3.47Å; P523-R539 WeakPolarHBondContact CA-O 3.25Å; C524-R539 HydrophobicContact CB-CB 4.21Å; C524-R539 PolarHBondContact N-O 3.04Å; C524-R539 PolarHBondContact O-N 3.18Å; R539-T541 PolarHBondContact NH1-OG1 3.09Å; R539-T541 PolarHBondContact NH2-OG1 2.76Å; R539-A547 HydrophobicContact CG-CB 4.06Å; R539-K548 CarbonylContact C-O 3.6Å; R539-K548 WeakPolarHBondContact CA-O 3.24Å; R539-Y549 HydrophobicContact CB-CD1 3.9Å; R539-Y549 HydrophobicContact CB-CE1 3.5Å; R539-Y549 VanDerWaalsContact CB-CE1 3.5Å; R539-Y549 VanDerWaalsContact CD-OH 3.24Å; R539-Y549 WeakPolarHBondContact CD-OH 3.4Å; R539-Y549 HydrophobicContact CG-CD1 4.3Å; R539-Y549 HydrophobicContact CG-CE1 3.63Å; R539-Y549 HydrophobicContact CG-CE2 4.39Å; R539-Y549 PolarHBondContact NE-OH 2.71Å; R539-D574 IonicContact CZ-OD1 3.34Å; R539-D574 IonicContact CZ-OD2 3.25Å; R539-D574 IonicContact NE-OD1 2.65Å; R539-D574 PolarHBondContact NE-OD1 3.41Å; R539-D574 IonicContact NE-OD2 2.77Å; R539-D574 IonicContact NH2-OD1 3.94Å; R539-D574 PolarHBondContact NH2-OD1 2.83Å; R539-D574 IonicContact NH2-OD2 2.74Å; R539-D574 PolarHBondContact NH2-OD2 2.85Å; R539-G576 WeakPolarHBondContact CD-O 3.26Å; R539-G576 PolarHBondContact NE-O 3.1Å; R539-F579 HydrophobicContact CB-CE1 4.43Å
540	E	87.9	Confident	89.2	Confident	16 Å²	16	43.3 Å²	43.3	8%	0.075	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	129	180	-173.8	176.5	-135.7	0	0	110.3	K518 S521 M538 A547 K548	K518-E540 VanDerWaalsContact CB-OE1 3.26Å; K518-E540 WeakPolarHBondContact CB-OE1 3.27Å; K518-E540 WeakPolarHBondContact CG-OE1 3.12Å; K518-E540 PolarHBondContact N-OE1 2.74Å; S521-E540 VanDerWaalsContact CB-CG 3.44Å; S521-E540 WeakPolarHBondContact CB-OE1 3.3Å; S521-E540 PolarHBondContact OG-OE1 3.44Å; M538-E540 HydrophobicContact CE-CB 4.18Å; E540-A547 CarbonylContact O-C 3.56Å; E540-A547 WeakPolarHBondContact O-CA 3.48Å; E540-K548 PolarHBondContact N-O 3.25Å; E540-K548 PolarHBondContact O-N 3.08Å
541	T	86	Confident	89.2	Confident	30 Å²	30	43.2 Å²	43.2	18%	0.184	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	127.7	169.6	-51	0	0	0	0	109.1	S521 D522 R539 E545	S521-T541 CarbonylContact C-O 3.52Å; S521-T541 WeakPolarHBondContact CA-O 3.42Å; D522-T541 PolarHBondContact N-O 2.81Å; D522-T541 PolarHBondContact O-N 2.94Å; R539-T541 PolarHBondContact NH1-OG1 3.09Å; R539-T541 PolarHBondContact NH2-OG1 2.76Å; T541-E545 WeakPolarHBondContact CG2-O 3.42Å
542	H	80.7	Confident	89.4	Confident	53 Å²	53	42.6 Å²	42.6	25%	0.245	21%	0.211	C	C	.	.			trans	-105.1	157	173.7	-174.1	-89.8	0	0	0	109.8	N544 E545	H542-N544 PolarHBondContact O-N 2.81Å; H542-N544 VanDerWaalsContact O-N 3.16Å; H542-E545 HydrophobicContact CB-CB 4.11Å; H542-E545 HydrophobicContact CB-CG 4.21Å; H542-E545 IonicContact ND1-OE1 2.77Å; H542-E545 PolarHBondContact O-N 2.77Å
543	L	76.4	Confident	89.6	Confident	122 Å²	122	39.1 Å²	39.1	64%	0.639	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-44.9	121.6	178	-81.5	137	0	0	0	111.4	E545	L543-E545 PolarHBondContact O-N 2.75Å; L543-E545 VanDerWaalsContact O-N 3.08Å
544	N	72.2	Confident	89.6	Confident	175 Å²	175	38.4 Å²	38.4	94%	0.936	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	58	10.9	-178.1	-55.7	-16	0	0	0	115.8	H542	H542-N544 PolarHBondContact O-N 2.81Å; H542-N544 VanDerWaalsContact O-N 3.16Å
545	E	82.2	Confident	89.6	Confident	74 Å²	74	41.1 Å²	41.1	35%	0.346	20%	0.199	S	C	.	.	P	Polyproline II helix	trans	-100.3	156.5	172.7	-67.9	-171.5	-153.7	0	0	111.5	T541 H542 L543 K548	T541-E545 WeakPolarHBondContact CG2-O 3.42Å; H542-E545 HydrophobicContact CB-CB 4.11Å; H542-E545 HydrophobicContact CB-CG 4.21Å; H542-E545 IonicContact ND1-OE1 2.77Å; H542-E545 PolarHBondContact O-N 2.77Å; L543-E545 PolarHBondContact O-N 2.75Å; L543-E545 VanDerWaalsContact O-N 3.08Å; E545-K548 IonicContact OE2-NZ 3.58Å; E545-K548 PolarHBondContact OE2-NZ 3.32Å
546	R	80.9	Confident	89.4	Confident	111 Å²	111	44.4 Å²	44.4	42%	0.419	22%	0.216	S	C	.	.	P	Polyproline II helix	trans	-69.2	159.7	168.5	-67	-177.5	175.7	-140.8	-17.1	111.4	K548 Y601	R546-K548 PolarHBondContact O-N 2.69Å; R546-Y601 PolarHBondContact NH2-OH 3.15Å
547	A	87	Confident	89.3	Confident	9 Å²	9	53.3 Å²	53.3	7%	0.074	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-67.8	128	174.5	0	0	0	0	0	111	R539 E540 Y549 D574	R539-A547 HydrophobicContact CG-CB 4.06Å; E540-A547 CarbonylContact O-C 3.56Å; E540-A547 WeakPolarHBondContact O-CA 3.48Å; A547-Y549 HydrophobicContact CB-CE2 4.42Å; A547-D574 HydrophobicContact CB-CB 4.32Å
548	K	90	Very high	89.3	Confident	81 Å²	81	58.7 Å²	58.7	35%	0.352	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	147.5	176.3	-71.7	171.9	-179.2	161.1	0	110	R539 E540 E545 R546	R539-K548 CarbonylContact C-O 3.6Å; R539-K548 WeakPolarHBondContact CA-O 3.24Å; E540-K548 PolarHBondContact N-O 3.25Å; E540-K548 PolarHBondContact O-N 3.08Å; E545-K548 IonicContact OE2-NZ 3.58Å; E545-K548 PolarHBondContact OE2-NZ 3.32Å; R546-K548 PolarHBondContact O-N 2.69Å
549	Y	93.2	Very high	89.4	Confident	8 Å²	8	61.5 Å²	61.5	3%	0.031	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	134.5	-177.8	-68.4	-89	0	0	0	110.7	F537 M538 R539 A547 I567 L572 W573 D574 L575	F537-Y549 AromaticContact CE1-CD1 3.53Å; F537-Y549 HydrophobicContact CE1-CD1 3.53Å; F537-Y549 AromaticContact CE1-CE1 3.8Å; F537-Y549 HydrophobicContact CE1-CE1 3.8Å; F537-Y549 HydrophobicContact CE2-CD1 4.22Å; F537-Y549 AromaticContact CZ-CD1 3.3Å; F537-Y549 HydrophobicContact CZ-CD1 3.3Å; F537-Y549 AromaticContact CZ-CE1 3.87Å; F537-Y549 HydrophobicContact CZ-CE1 3.87Å; F537-Y549 HydrophobicContact CZ-CG 4.17Å; M538-Y549 WeakPolarHBondContact O-CA 3.47Å; R539-Y549 HydrophobicContact CB-CD1 3.9Å; R539-Y549 HydrophobicContact CB-CE1 3.5Å; R539-Y549 VanDerWaalsContact CB-CE1 3.5Å; R539-Y549 VanDerWaalsContact CD-OH 3.24Å; R539-Y549 WeakPolarHBondContact CD-OH 3.4Å; R539-Y549 HydrophobicContact CG-CD1 4.3Å; R539-Y549 HydrophobicContact CG-CE1 3.63Å; R539-Y549 HydrophobicContact CG-CE2 4.39Å; R539-Y549 PolarHBondContact NE-OH 2.71Å; A547-Y549 HydrophobicContact CB-CE2 4.42Å; Y549-I567 PolarHBondContact O-N 2.8Å; Y549-L572 HydrophobicContact CD1-CD2 4.08Å; Y549-L572 HydrophobicContact CD2-CD2 4.11Å; Y549-L572 HydrophobicContact CE1-CD2 4.42Å; Y549-L572 HydrophobicContact CG-CD2 3.9Å; Y549-W573 WeakPolarHBondContact CE2-O 3.39Å; Y549-D574 PolarHBondContact OH-OD1 2.88Å; Y549-L575 HydrophobicContact CE1-CB 4.45Å; Y549-L575 HydrophobicContact CE1-CD1 4.21Å; Y549-L575 HydrophobicContact CE1-CG 4.26Å; Y549-L575 PolarHBondContact OH-N 3.45Å
550	V	94.2	Very high	89.7	Confident	7 Å²	7	69.4 Å²	69.4	4%	0.042	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	143.8	-179.6	62.5	0	0	0	0	110.1	M538 Y552 L563 Q565	M538-V550 HydrophobicContact CB-CG1 3.99Å; M538-V550 HydrophobicContact CE-CG1 3.62Å; M538-V550 PolarHBondContact N-O 2.85Å; M538-V550 PolarHBondContact O-N 3.12Å; V550-Y552 HydrophobicContact CB-CE2 4.28Å; V550-Y552 HydrophobicContact CG1-CD2 4.05Å; V550-Y552 HydrophobicContact CG1-CE2 3.42Å; V550-Y552 VanDerWaalsContact CG1-CE2 3.42Å; V550-Y552 HydrophobicContact CG2-CD2 4.29Å; V550-Y552 HydrophobicContact CG2-CE1 4.44Å; V550-Y552 HydrophobicContact CG2-CE2 3.82Å; V550-L563 HydrophobicContact CG2-CD1 3.26Å; V550-Q565 WeakPolarHBondContact CG2-O 3.37Å
551	T	95.4	Very high	90.1	Very high	1 Å²	1	70 Å²	70	1%	0.006	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	123.8	171.9	-55.7	0	0	0	0	108.9	M269 C535 V536 R564 Q565	M269-T551 HydrophobicContact CE-CG2 3.98Å; C535-T551 HydrophobicContact CB-CG2 4.01Å; V536-T551 WeakPolarHBondContact O-CA 3.49Å; T551-R564 HydrophobicContact CG2-CB 4.22Å; T551-R564 WeakPolarHBondContact O-CA 3.27Å; T551-R564 WeakPolarHBondContact O-CB 3.5Å; T551-R564 PolarHBondContact O-N 3.13Å; T551-Q565 PolarHBondContact N-O 2.99Å; T551-Q565 PolarHBondContact O-N 2.86Å; T551-Q565 VanDerWaalsContact O-N 3.14Å
552	Y	96.1	Very high	90.5	Very high	34 Å²	34	71.3 Å²	71.3	13%	0.133	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	144.5	169.9	-69.4	-78.2	0	0	0	110.1	I515 P516 C535 V536 M538 V550 S562 L563	I515-Y552 HydrophobicContact CG2-CD2 4.22Å; P516-Y552 HydrophobicContact CB-CE1 4.01Å; P516-Y552 HydrophobicContact CG-CD1 4.11Å; P516-Y552 HydrophobicContact CG-CE1 3.99Å; P516-Y552 WeakPolarHBondContact O-CE2 3.35Å; P516-Y552 PolarHBondContact O-OH 2.87Å; C535-Y552 CarbonylContact C-O 3.58Å; C535-Y552 WeakPolarHBondContact CA-O 3.32Å; C535-Y552 WeakPolarHBondContact CB-O 3.35Å; V536-Y552 PolarHBondContact N-O 3.31Å; V536-Y552 PolarHBondContact O-N 3.38Å; M538-Y552 HydrophobicContact CE-CD2 4.48Å; M538-Y552 HydrophobicContact CE-CE2 3.7Å; V550-Y552 HydrophobicContact CB-CE2 4.28Å; V550-Y552 HydrophobicContact CG1-CD2 4.05Å; V550-Y552 HydrophobicContact CG1-CE2 3.42Å; V550-Y552 VanDerWaalsContact CG1-CE2 3.42Å; V550-Y552 HydrophobicContact CG2-CD2 4.29Å; V550-Y552 HydrophobicContact CG2-CE1 4.44Å; V550-Y552 HydrophobicContact CG2-CE2 3.82Å; Y552-S562 CarbonylContact C-O 3.58Å; Y552-S562 WeakPolarHBondContact CA-O 3.4Å; Y552-L563 HydrophobicContact CD1-CB 4.41Å; Y552-L563 HydrophobicContact CE1-CB 4.16Å; Y552-L563 HydrophobicContact CE1-CD1 4.1Å
553	Q	96.5	Very high	91.2	Very high	60 Å²	60	73 Å²	73	28%	0.28	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	140.2	172	175.8	171.2	-18.3	0	0	109.5	S533 W561 S562 R564	S533-Q553 PolarHBondContact OG-NE2 2.9Å; Q553-W561 CarbonylContact O-C 3.58Å; Q553-W561 WeakPolarHBondContact O-CA 3.41Å; Q553-S562 PolarHBondContact N-O 2.85Å; Q553-S562 PolarHBondContact O-N 3.38Å; Q553-S562 PolarHBondContact O-OG 2.95Å; Q553-R564 HydrophobicContact CB-CB 4.11Å
554	Y	97	Very high	92.1	Very high	11 Å²	11	70.9 Å²	70.9	4%	0.043	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	129.5	177.2	-173.9	-106.2	0	0	0	110.9	F472 I501 L534 L556 D559 W561	F472-Y554 AromaticContact CE1-CD1 3.78Å; F472-Y554 HydrophobicContact CE1-CD1 3.78Å; F472-Y554 AromaticContact CE1-CE1 3.6Å; F472-Y554 HydrophobicContact CE1-CE1 3.6Å; F472-Y554 HydrophobicContact CZ-CD1 4.36Å; F472-Y554 HydrophobicContact CZ-CE1 4.28Å; I501-Y554 HydrophobicContact CD1-CE1 4.11Å; I501-Y554 WeakPolarHBondContact CD1-OH 3.44Å; L534-Y554 HydrophobicContact CD2-CD1 3.99Å; L534-Y554 HydrophobicContact CD2-CG 4.16Å; L534-Y554 PolarHBondContact O-N 3.35Å; Y554-L556 HydrophobicContact CE1-CB 4.34Å; Y554-L556 HydrophobicContact CE1-CD1 3.95Å; Y554-D559 PolarHBondContact OH-OD1 3.13Å; Y554-W561 AromaticContact CD2-CD2 3.83Å; Y554-W561 HydrophobicContact CD2-CD2 3.83Å; Y554-W561 AromaticContact CD2-CE2 3.51Å; Y554-W561 HydrophobicContact CD2-CE3 4.29Å; Y554-W561 HydrophobicContact CD2-CG 4.27Å; Y554-W561 HydrophobicContact CD2-CH2 4.18Å; Y554-W561 AromaticContact CD2-CZ2 3.69Å; Y554-W561 HydrophobicContact CD2-CZ2 3.69Å; Y554-W561 HydrophobicContact CD2-CZ3 4.48Å; Y554-W561 AromaticContact CD2-NE1 3.77Å; Y554-W561 HydrophobicContact CE2-CZ2 4.48Å; Y554-W561 HydrophobicContact CG-CH2 4.24Å; Y554-W561 HydrophobicContact CG-CZ2 4.18Å; Y554-W561 HydrophobicContact CG-CZ3 4.45Å
555	D	95.5	Very high	93	Very high	59 Å²	59	63.6 Å²	63.6	32%	0.316	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	113.4	169.5	-172	-39.2	0	0	0	109.2	E557 L558 D559 R560	D555-E557 PolarHBondContact OD1-N 2.93Å; D555-L558 HydrophobicContact CB-CB 4.25Å; D555-L558 PolarHBondContact OD1-N 2.86Å; D555-L558 WeakPolarHBondContact OD2-CD1 3.36Å; D555-D559 WeakPolarHBondContact O-CA 3.11Å; D555-D559 PolarHBondContact O-N 3.17Å; D555-R560 PolarHBondContact N-O 2.91Å; D555-R560 PolarHBondContact O-N 2.65Å
556	L	92.1	Very high	93.5	Very high	69 Å²	69	66.1 Å²	66.1	36%	0.361	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-31.2	-177.1	-176.9	61.7	0	0	0	113	K470 F472 Y554	K470-L556 HydrophobicContact CD-CD1 4.14Å; F472-L556 HydrophobicContact CZ-CD1 4.16Å; Y554-L556 HydrophobicContact CE1-CB 4.34Å; Y554-L556 HydrophobicContact CE1-CD1 3.95Å
557	E	92.8	Very high	94.1	Very high	187 Å²	187	61.3 Å²	61.3	87%	0.874	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-39.6	-177.8	-62.4	-173.2	171.5	0	0	110.9	D555	D555-E557 PolarHBondContact OD1-N 2.93Å
558	L	95	Very high	94	Very high	112 Å²	112	63.7 Å²	63.7	59%	0.586	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-10.6	-177.8	-61.4	-178.6	0	0	0	114.2	D555 R560	D555-L558 HydrophobicContact CB-CB 4.25Å; D555-L558 PolarHBondContact OD1-N 2.86Å; D555-L558 WeakPolarHBondContact OD2-CD1 3.36Å; L558-R560 HydrophobicContact CB-CB 4.34Å; L558-R560 HydrophobicContact CB-CG 4.43Å; L558-R560 WeakPolarHBondContact O-CG 3.5Å
559	D	95.4	Very high	93.7	Very high	60 Å²	60	62.5 Å²	62.5	32%	0.321	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	50	55.2	-171	-175.9	18	0	0	0	111	A512 A513 Y554 D555	A512-D559 WeakPolarHBondContact CA-OD1 3.4Å; A512-D559 WeakPolarHBondContact CB-OD1 3.5Å; A513-D559 WeakPolarHBondContact CB-O 3.49Å; A513-D559 WeakPolarHBondContact CB-OD1 3.36Å; A513-D559 PolarHBondContact N-OD1 2.99Å; Y554-D559 PolarHBondContact OH-OD1 3.13Å; D555-D559 WeakPolarHBondContact O-CA 3.11Å; D555-D559 PolarHBondContact O-N 3.17Å
560	R	96.5	Very high	93.2	Very high	178 Å²	178	70 Å²	70	67%	0.672	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-143.8	149.5	-175.6	-74.6	-179.6	-175.7	-132.4	-1.1	112.1	D555 L558	D555-R560 PolarHBondContact N-O 2.91Å; D555-R560 PolarHBondContact O-N 2.65Å; L558-R560 HydrophobicContact CB-CB 4.34Å; L558-R560 HydrophobicContact CB-CG 4.43Å; L558-R560 WeakPolarHBondContact O-CG 3.5Å
561	W	96.2	Very high	92.8	Very high	28 Å²	28	71.7 Å²	71.7	11%	0.106	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	131.1	171	-65.7	94.2	0	0	0	110.4	I474 V499 A513 I515 P516 V536 Q553 Y554	I474-W561 HydrophobicContact CD1-CH2 4.05Å; I474-W561 HydrophobicContact CD1-CZ2 4.34Å; V499-W561 HydrophobicContact CG2-CZ2 3.96Å; A513-W561 PolarHBondContact O-NE1 3.16Å; I515-W561 HydrophobicContact CG1-CZ2 4.08Å; P516-W561 VanDerWaalsContact CD-CB 3.47Å; P516-W561 HydrophobicContact CG-CB 3.58Å; P516-W561 HydrophobicContact CG-CG 4.28Å; V536-W561 HydrophobicContact CB-CH2 4.24Å; V536-W561 HydrophobicContact CB-CZ3 4.03Å; V536-W561 HydrophobicContact CG2-CH2 3.34Å; V536-W561 HydrophobicContact CG2-CZ2 4.23Å; V536-W561 HydrophobicContact CG2-CZ3 3.62Å; Q553-W561 CarbonylContact O-C 3.58Å; Q553-W561 WeakPolarHBondContact O-CA 3.41Å; Y554-W561 AromaticContact CD2-CD2 3.83Å; Y554-W561 HydrophobicContact CD2-CD2 3.83Å; Y554-W561 AromaticContact CD2-CE2 3.51Å; Y554-W561 HydrophobicContact CD2-CE3 4.29Å; Y554-W561 HydrophobicContact CD2-CG 4.27Å; Y554-W561 HydrophobicContact CD2-CH2 4.18Å; Y554-W561 AromaticContact CD2-CZ2 3.69Å; Y554-W561 HydrophobicContact CD2-CZ2 3.69Å; Y554-W561 HydrophobicContact CD2-CZ3 4.48Å; Y554-W561 AromaticContact CD2-NE1 3.77Å; Y554-W561 HydrophobicContact CE2-CZ2 4.48Å; Y554-W561 HydrophobicContact CG-CH2 4.24Å; Y554-W561 HydrophobicContact CG-CZ2 4.18Å; Y554-W561 HydrophobicContact CG-CZ3 4.45Å
562	S	95.7	Very high	92.5	Very high	59 Å²	59	71.8 Å²	71.8	41%	0.413	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	144	169.1	59.6	0	0	0	0	109.8	Y552 Q553 R564	Y552-S562 CarbonylContact C-O 3.58Å; Y552-S562 WeakPolarHBondContact CA-O 3.4Å; Q553-S562 PolarHBondContact N-O 2.85Å; Q553-S562 PolarHBondContact O-N 3.38Å; Q553-S562 PolarHBondContact O-OG 2.95Å; S562-R564 PolarHBondContact O-N 3.16Å
563	L	95.6	Very high	92.1	Very high	88 Å²	88	71 Å²	71	46%	0.461	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	119.6	171.6	172.8	67.9	0	0	0	108.5	V550 Y552 H566	V550-L563 HydrophobicContact CG2-CD1 3.26Å; Y552-L563 HydrophobicContact CD1-CB 4.41Å; Y552-L563 HydrophobicContact CE1-CB 4.16Å; Y552-L563 HydrophobicContact CE1-CD1 4.1Å; L563-H566 WeakPolarHBondContact CD2-NE2 3.44Å
564	R	93.7	Very high	91.7	Very high	77 Å²	77	71.1 Å²	71.1	29%	0.291	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	-47.8	175.4	-175.2	170.5	174.8	158.3	-3	110.9	I530 S531 C535 T551 Q553 S562	I530-R564 PolarHBondContact O-NH1 3.04Å; S531-R564 PolarHBondContact OG-NH2 2.79Å; S531-R564 VanDerWaalsContact OG-NH2 3.16Å; C535-R564 PolarHBondContact SG-NH1 3.37Å; T551-R564 HydrophobicContact CG2-CB 4.22Å; T551-R564 WeakPolarHBondContact O-CA 3.27Å; T551-R564 WeakPolarHBondContact O-CB 3.5Å; T551-R564 PolarHBondContact O-N 3.13Å; Q553-R564 HydrophobicContact CB-CB 4.11Å; S562-R564 PolarHBondContact O-N 3.16Å
565	Q	93	Very high	91.3	Very high	22 Å²	22	70.6 Å²	70.6	10%	0.103	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161	138.5	-176.4	-167.8	170.7	26.5	0	0	112.5	Y288 P290 E293 V550 T551	Y288-Q565 PolarHBondContact OH-NE2 2.76Å; Y288-Q565 VanDerWaalsContact OH-NE2 3.11Å; Y288-Q565 PolarHBondContact OH-OE1 2.83Å; P290-Q565 PolarHBondContact O-NE2 3.35Å; E293-Q565 PolarHBondContact OE1-NE2 3.02Å; V550-Q565 WeakPolarHBondContact CG2-O 3.37Å; T551-Q565 PolarHBondContact N-O 2.99Å; T551-Q565 PolarHBondContact O-N 2.86Å; T551-Q565 VanDerWaalsContact O-N 3.14Å
566	H	92.4	Very high	91	Very high	128 Å²	128	68.5 Å²	68.5	59%	0.593	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.3	130.6	163.9	-75.7	-67	0	0	0	109.6	L563	L563-H566 WeakPolarHBondContact CD2-NE2 3.44Å
567	I	91.8	Very high	90.6	Very high	10 Å²	10	69.9 Å²	69.9	5%	0.051	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	114	178.8	-56.4	174.4	0	0	0	107.7	Y288 F537 Y549 L572	Y288-I567 HydrophobicContact CD1-CD1 4.06Å; Y288-I567 HydrophobicContact CE1-CD1 3.61Å; Y288-I567 HydrophobicContact CE1-CG1 3.97Å; Y288-I567 HydrophobicContact CE2-CG2 4.28Å; F537-I567 HydrophobicContact CD2-CD1 4.02Å; F537-I567 HydrophobicContact CE2-CD1 3.41Å; F537-I567 VanDerWaalsContact CE2-CD1 3.41Å; F537-I567 HydrophobicContact CZ-CD1 4.42Å; Y549-I567 PolarHBondContact O-N 2.8Å; I567-L572 HydrophobicContact CG2-CB 3.71Å; I567-L572 HydrophobicContact CG2-CD2 4Å
568	S	85.9	Confident	90.2	Very high	58 Å²	58	64.6 Å²	64.6	41%	0.406	31%	0.309	S	S	.	.			trans	-65.2	138.9	-177.8	-178.5	0	0	0	0	111.4	R570 V571 L572	S568-R570 PolarHBondContact O-N 2.92Å; S568-R570 VanDerWaalsContact O-N 3.1Å; S568-R570 WeakPolarHBondContact OG-CB 3.35Å; S568-R570 WeakPolarHBondContact OG-CG 3.48Å; S568-R570 PolarHBondContact OG-N 2.62Å; S568-V571 WeakPolarHBondContact O-CB 3.35Å; S568-V571 PolarHBondContact O-N 3.29Å; S568-L572 PolarHBondContact O-N 3.14Å; S568-L572 VanDerWaalsContact O-N 3.08Å
569	E	83.2	Confident	90	Very high	57 Å²	57	59.3 Å²	59.3	27%	0.266	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-15.8	171	-63.4	177.3	-159.7	0	0	112.4	V571 L572 W596	E569-V571 VanDerWaalsContact C-N 3.26Å; E569-L572 WeakPolarHBondContact CA-O 3.49Å; E569-W596 PolarHBondContact O-NE1 3.01Å
570	R	83.6	Confident	89.7	Confident	166 Å²	166	60.3 Å²	60.3	63%	0.626	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-20.9	171.8	-55.1	-170.8	177.7	175.3	-0.4	113	S568 P598	S568-R570 PolarHBondContact O-N 2.92Å; S568-R570 VanDerWaalsContact O-N 3.1Å; S568-R570 WeakPolarHBondContact OG-CB 3.35Å; S568-R570 WeakPolarHBondContact OG-CG 3.48Å; S568-R570 PolarHBondContact OG-N 2.62Å; R570-P598 HydrophobicContact CB-CG 4.37Å; R570-P598 HydrophobicContact CG-CG 4.15Å
571	V	85.8	Confident	89.6	Confident	41 Å²	41	52.7 Å²	52.7	25%	0.248	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.1	-44.2	-174.9	172.5	0	0	0	0	110.4	Y288 E293 V295 S568 E569	Y288-V571 HydrophobicContact CD2-CG1 4.35Å; Y288-V571 HydrophobicContact CE2-CG1 3.99Å; E293-V571 VanDerWaalsContact O-CG1 3.29Å; E293-V571 WeakPolarHBondContact O-CG1 3.18Å; V295-V571 HydrophobicContact CG2-CG1 3.78Å; V295-V571 VanDerWaalsContact CG2-O 3.27Å; V295-V571 WeakPolarHBondContact CG2-O 3.45Å; S568-V571 WeakPolarHBondContact O-CB 3.35Å; S568-V571 PolarHBondContact O-N 3.29Å; E569-V571 VanDerWaalsContact C-N 3.26Å
572	L	87.8	Confident	89.6	Confident	3 Å²	3	52.5 Å²	52.5	2%	0.016	26%	0.256	C	S	.	.			trans	-126.6	126.7	-176.4	-167.6	71.2	0	0	0	110.1	V295 F537 Y549 I567 S568 E569 L575	V295-L572 HydrophobicContact CG1-CD1 4.28Å; V295-L572 HydrophobicContact CG2-CB 4.28Å; V295-L572 HydrophobicContact CG2-CD1 3.6Å; F537-L572 HydrophobicContact CE2-CD2 4.43Å; F537-L572 HydrophobicContact CZ-CD2 3.94Å; Y549-L572 HydrophobicContact CD1-CD2 4.08Å; Y549-L572 HydrophobicContact CD2-CD2 4.11Å; Y549-L572 HydrophobicContact CE1-CD2 4.42Å; Y549-L572 HydrophobicContact CG-CD2 3.9Å; I567-L572 HydrophobicContact CG2-CB 3.71Å; I567-L572 HydrophobicContact CG2-CD2 4Å; S568-L572 PolarHBondContact O-N 3.14Å; S568-L572 VanDerWaalsContact O-N 3.08Å; E569-L572 WeakPolarHBondContact CA-O 3.49Å; L572-L575 HydrophobicContact CD1-CD1 4.25Å; L572-L575 HydrophobicContact CD1-CD2 3.85Å; L572-L575 HydrophobicContact CD1-CG 4.28Å; L572-L575 HydrophobicContact CD2-CD1 3.98Å; L572-L575 HydrophobicContact CD2-CG 4.29Å; L572-L575 HydrophobicContact CG-CD1 4.39Å; L572-L575 HydrophobicContact CG-CD2 4.27Å; L572-L575 HydrophobicContact CG-CG 4.26Å
573	W	87.7	Confident	89.6	Confident	17 Å²	17	51.1 Å²	51.1	6%	0.064	25%	0.245	C	C	.	.			trans	-79.5	179.7	172.9	72.3	100.8	0	0	0	111.1	S275 E277 V286 V295 Y549 L575 W596	S275-W573 PolarHBondContact O-NE1 3.09Å; E277-W573 HydrophobicContact CG-CD2 3.66Å; E277-W573 HydrophobicContact CG-CE3 4Å; E277-W573 HydrophobicContact CG-CG 4.02Å; E277-W573 HydrophobicContact CG-CH2 4.13Å; E277-W573 HydrophobicContact CG-CZ2 3.91Å; E277-W573 HydrophobicContact CG-CZ3 4.24Å; E277-W573 WeakPolarHBondContact OE1-CH2 3.3Å; E277-W573 WeakPolarHBondContact OE1-CZ3 3.48Å; V286-W573 HydrophobicContact CB-CH2 4.15Å; V286-W573 HydrophobicContact CG1-CH2 3.41Å; V286-W573 VanDerWaalsContact CG1-CH2 3.41Å; V286-W573 HydrophobicContact CG1-CZ2 4.27Å; V286-W573 HydrophobicContact CG1-CZ3 4.21Å; V286-W573 HydrophobicContact CG2-CH2 3.78Å; V286-W573 HydrophobicContact CG2-CZ2 4.19Å; V286-W573 HydrophobicContact CG2-CZ3 4.47Å; V295-W573 HydrophobicContact CG1-CZ3 4.05Å; Y549-W573 WeakPolarHBondContact CE2-O 3.39Å; W573-L575 HydrophobicContact CD2-CD2 4.27Å; W573-L575 HydrophobicContact CZ2-CD2 4.03Å; W573-L575 PolarHBondContact O-N 2.82Å; W573-L575 VanDerWaalsContact O-N 3.09Å; W573-W596 HydrophobicContact CB-CD2 3.85Å; W573-W596 HydrophobicContact CB-CE3 4Å; W573-W596 HydrophobicContact CB-CH2 3.73Å; W573-W596 HydrophobicContact CB-CZ2 3.55Å; W573-W596 HydrophobicContact CB-CZ3 3.95Å; W573-W596 HydrophobicContact CE3-CG 4.39Å
574	D	88.9	Confident	89.6	Confident	63 Å²	63	47.1 Å²	47.1	34%	0.337	23%	0.225	S	C	.	.			trans	-69.8	107.9	173.2	-168.7	7.1	0	0	0	111.3	S275 R539 A547 Y549 G576	S275-D574 PolarHBondContact OG-O 3.4Å; R539-D574 IonicContact CZ-OD1 3.34Å; R539-D574 IonicContact CZ-OD2 3.25Å; R539-D574 IonicContact NE-OD1 2.65Å; R539-D574 PolarHBondContact NE-OD1 3.41Å; R539-D574 IonicContact NE-OD2 2.77Å; R539-D574 IonicContact NH2-OD1 3.94Å; R539-D574 PolarHBondContact NH2-OD1 2.83Å; R539-D574 IonicContact NH2-OD2 2.74Å; R539-D574 PolarHBondContact NH2-OD2 2.85Å; A547-D574 HydrophobicContact CB-CB 4.32Å; Y549-D574 PolarHBondContact OH-OD1 2.88Å; D574-G576 PolarHBondContact O-N 2.77Å; D574-G576 PolarHBondContact OD1-N 3.08Å
575	L	89.6	Confident	89.7	Confident	1 Å²	1	46.5 Å²	46.5	1%	0.005	23%	0.225	C	C	.	.			trans	-71.3	-5.2	172.9	-52.5	-178.3	0	0	0	114	F271 A274 S275 V286 F537 Y549 L572 W573 F579	F271-L575 HydrophobicContact CB-CD1 4.27Å; F271-L575 HydrophobicContact CD1-CD1 3.94Å; F271-L575 HydrophobicContact CD2-CD1 3.78Å; F271-L575 HydrophobicContact CE1-CD1 4.19Å; F271-L575 HydrophobicContact CE2-CD1 4.04Å; F271-L575 HydrophobicContact CG-CD1 3.72Å; F271-L575 HydrophobicContact CZ-CD1 4.25Å; A274-L575 HydrophobicContact CB-CB 4.04Å; A274-L575 HydrophobicContact CB-CD2 3.61Å; A274-L575 HydrophobicContact CB-CG 4.33Å; S275-L575 PolarHBondContact N-O 2.99Å; S275-L575 WeakPolarHBondContact OG-CA 3.42Å; S275-L575 PolarHBondContact OG-O 2.69Å; V286-L575 HydrophobicContact CG2-CD2 4.2Å; F537-L575 HydrophobicContact CE1-CD1 4.41Å; F537-L575 HydrophobicContact CZ-CD1 4.28Å; Y549-L575 HydrophobicContact CE1-CB 4.45Å; Y549-L575 HydrophobicContact CE1-CD1 4.21Å; Y549-L575 HydrophobicContact CE1-CG 4.26Å; Y549-L575 PolarHBondContact OH-N 3.45Å; L572-L575 HydrophobicContact CD1-CD1 4.25Å; L572-L575 HydrophobicContact CD1-CD2 3.85Å; L572-L575 HydrophobicContact CD1-CG 4.28Å; L572-L575 HydrophobicContact CD2-CD1 3.98Å; L572-L575 HydrophobicContact CD2-CG 4.29Å; L572-L575 HydrophobicContact CG-CD1 4.39Å; L572-L575 HydrophobicContact CG-CD2 4.27Å; L572-L575 HydrophobicContact CG-CG 4.26Å; W573-L575 HydrophobicContact CD2-CD2 4.27Å; W573-L575 HydrophobicContact CZ2-CD2 4.03Å; W573-L575 PolarHBondContact O-N 2.82Å; W573-L575 VanDerWaalsContact O-N 3.09Å; L575-F579 HydrophobicContact CB-CD1 3.89Å; L575-F579 HydrophobicContact CB-CE1 4.39Å; L575-F579 HydrophobicContact CB-CG 4.25Å
576	G	87.4	Confident	89.9	Confident	15 Å²	15	45.5 Å²	45.5	16%	0.155	22%	0.22	C	C	.	.			trans	75.8	-160.3	-177.5	0	0	0	0	0	112.1	S275 R539 D574 F579	S275-G576 PolarHBondContact OG-N 2.8Å; S275-G576 VanDerWaalsContact OG-N 3.08Å; R539-G576 WeakPolarHBondContact CD-O 3.26Å; R539-G576 PolarHBondContact NE-O 3.1Å; D574-G576 PolarHBondContact O-N 2.77Å; D574-G576 PolarHBondContact OD1-N 3.08Å; G576-F579 WeakPolarHBondContact O-CD1 3.29Å; G576-F579 VanDerWaalsContact O-CE1 3.22Å; G576-F579 WeakPolarHBondContact O-CE1 3.49Å
577	R	84.8	Confident	89.9	Confident	98 Å²	98	39.5 Å²	39.5	37%	0.37	19%	0.193	S	C	.	.	S	Bend	trans	-108.7	-22.3	-173.7	-60.7	-178.9	-175.3	-152.6	-3.1	114.3	D522 R526	D522-R577 IonicContact OD2-CZ 3.6Å; D522-R577 IonicContact OD2-NH1 3.15Å; D522-R577 PolarHBondContact OD2-NH1 2.88Å; D522-R577 IonicContact OD2-NH2 2.74Å; D522-R577 PolarHBondContact OD2-NH2 3.21Å; R526-R577 PolarHBondContact NH2-O 3.23Å
578	D	84.3	Confident	90	Very high	76 Å²	76	40.2 Å²	40.2	41%	0.406	20%	0.198	S	C	.	.	S	Bend	trans	-84.2	-9.3	-173.5	-82.3	-61	0	0	0	113.9	K372	K372-D578 IonicContact NZ-OD1 3.6Å; K372-D578 PolarHBondContact NZ-OD1 3.19Å; K372-D578 VanDerWaalsContact NZ-OD1 3.15Å
579	F	89.9	Confident	90.2	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.209	C	C	.	.			trans	-57.3	141.7	-176.8	72	-90.8	0	0	0	112.4	F271 I272 R526 F537 R539 L575 G576 C581	F271-F579 AromaticContact CD1-CD2 3.72Å; F271-F579 HydrophobicContact CD1-CD2 3.72Å; F271-F579 HydrophobicContact CD1-CE2 4.04Å; F271-F579 HydrophobicContact CE1-CD2 4.26Å; F271-F579 HydrophobicContact CE1-CE2 4.1Å; I272-F579 WeakPolarHBondContact O-CA 3.41Å; R526-F579 HydrophobicContact CG-CE2 3.77Å; R526-F579 HydrophobicContact CG-CZ 4.28Å; R526-F579 PolarHBondContact NE-O 2.68Å; R526-F579 PolarHBondContact NH2-O 2.94Å; F537-F579 AromaticContact CD1-CE2 3.85Å; F537-F579 HydrophobicContact CD1-CE2 3.85Å; F537-F579 AromaticContact CD1-CZ 3.94Å; F537-F579 HydrophobicContact CD1-CZ 3.94Å; F537-F579 AromaticContact CE1-CE2 3.72Å; F537-F579 HydrophobicContact CE1-CE2 3.72Å; F537-F579 AromaticContact CE1-CZ 3.67Å; F537-F579 HydrophobicContact CE1-CZ 3.67Å; R539-F579 HydrophobicContact CB-CE1 4.43Å; L575-F579 HydrophobicContact CB-CD1 3.89Å; L575-F579 HydrophobicContact CB-CE1 4.39Å; L575-F579 HydrophobicContact CB-CG 4.25Å; G576-F579 WeakPolarHBondContact O-CD1 3.29Å; G576-F579 VanDerWaalsContact O-CE1 3.22Å; G576-F579 WeakPolarHBondContact O-CE1 3.49Å; F579-C581 HydrophobicContact CD2-CB 4.4Å; F579-C581 HydrophobicContact CE2-CB 4.28Å
580	R	90.4	Very high	90.6	Very high	81 Å²	81	40.9 Å²	40.9	31%	0.306	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	145.3	164.9	-65.8	-58.1	-166	173.2	4.1	108.8	F271 I272 T310	F271-R580 VanDerWaalsContact CA-O 3.26Å; F271-R580 WeakPolarHBondContact CA-O 3.41Å; I272-R580 PolarHBondContact N-O 3.48Å; I272-R580 PolarHBondContact O-N 2.95Å; T310-R580 HydrophobicContact CG2-CB 4.1Å; T310-R580 HydrophobicContact CG2-CG 4.43Å
581	C	94	Very high	91.1	Very high	19 Å²	19	33.9 Å²	33.9	13%	0.128	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	125.4	175.3	-177.9	0	0	0	0	107.8	I270 F271 R526 F579	I270-C581 WeakPolarHBondContact O-CA 3.25Å; F271-C581 HydrophobicContact CD1-CB 3.95Å; F271-C581 HydrophobicContact CE1-CB 3.87Å; F271-C581 WeakPolarHBondContact CE1-SG 3.35Å; R526-C581 HydrophobicContact CB-CB 3.83Å; R526-C581 HydrophobicContact CG-CB 3.84Å; F579-C581 HydrophobicContact CD2-CB 4.4Å; F579-C581 HydrophobicContact CE2-CB 4.28Å
582	T	95.4	Very high	91.5	Very high	23 Å²	23	38.5 Å²	38.5	14%	0.141	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	162.9	170.1	-165	0	0	0	0	109.2	I270 V312	I270-T582 HydrophobicContact CB-CG2 3.84Å; I270-T582 HydrophobicContact CD1-CG2 4.4Å; I270-T582 HydrophobicContact CG2-CG2 4.23Å; I270-T582 PolarHBondContact N-O 2.6Å; I270-T582 PolarHBondContact O-N 2.76Å; V312-T582 HydrophobicContact CG2-CG2 3.83Å
583	V	96.9	Very high	91.6	Very high	30 Å²	30	43.3 Å²	43.3	18%	0.182	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	128.8	-179.7	177.4	0	0	0	0	108.3	M268 M269 V312 V528 I530	M268-V583 WeakPolarHBondContact O-CA 3.33Å; M269-V583 HydrophobicContact CG-CG2 4.44Å; V312-V583 WeakPolarHBondContact CG2-O 3.3Å; V528-V583 HydrophobicContact CB-CG2 3.72Å; V528-V583 HydrophobicContact CG1-CG2 4Å; V528-V583 HydrophobicContact CG2-CG2 4.31Å; I530-V583 HydrophobicContact CB-CG1 4.29Å; I530-V583 HydrophobicContact CB-CG2 4.38Å; I530-V583 HydrophobicContact CD1-CG1 4.24Å; I530-V583 HydrophobicContact CG1-CG1 4.14Å
584	G	96.1	Very high	91.6	Very high	4 Å²	4	43.2 Å²	43.2	4%	0.041	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	164.4	175.6	0	0	0	0	0	110.3	M268	M268-G584 PolarHBondContact N-O 2.94Å; M268-G584 PolarHBondContact O-N 2.82Å
585	K	95.2	Very high	91.3	Very high	65 Å²	65	44 Å²	44	28%	0.283	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	125.6	174.2	-57.4	175.9	179.3	176.7	0	109.4	E189 K265 E266 E267 N316	E189-K585 IonicContact OE1-NZ 3.73Å; K265-K585 HydrophobicContact CB-CB 4.1Å; K265-K585 HydrophobicContact CB-CD 4.49Å; K265-K585 HydrophobicContact CD-CB 4.07Å; K265-K585 HydrophobicContact CD-CD 4.17Å; K265-K585 HydrophobicContact CG-CB 4.29Å; E266-K585 CarbonylContact O-C 3.54Å; E266-K585 VanDerWaalsContact O-CA 3.24Å; E266-K585 WeakPolarHBondContact O-CA 3.43Å; E267-K585 HydrophobicContact CG-CG 3.98Å; N316-K585 PolarHBondContact ND2-O 2.92Å; N316-K585 WeakPolarHBondContact OD1-CA 3.38Å; N316-K585 VanDerWaalsContact OD1-CB 3.27Å; N316-K585 WeakPolarHBondContact OD1-CB 3.35Å; N316-K585 PolarHBondContact OD1-N 2.75Å
586	L	95.9	Very high	90.9	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	168	179.6	-64.3	175.9	0	0	0	110.4	K265 E266 M268 I270 C287 L298 I318 F353 A355 P588 L591	K265-L586 WeakPolarHBondContact CA-O 3.46Å; E266-L586 PolarHBondContact N-O 2.92Å; E266-L586 PolarHBondContact O-N 3.01Å; M268-L586 HydrophobicContact CB-CD1 4.38Å; M268-L586 HydrophobicContact CE-CB 4.31Å; M268-L586 HydrophobicContact CG-CB 4.46Å; M268-L586 HydrophobicContact SD-CB 3.94Å; M268-L586 HydrophobicContact SD-CD1 4.17Å; I270-L586 HydrophobicContact CD1-CD1 4.01Å; I270-L586 HydrophobicContact CD1-CD2 4.49Å; I270-L586 HydrophobicContact CD1-CG 4.32Å; I270-L586 HydrophobicContact CG1-CD1 3.95Å; C287-L586 HydrophobicContact CB-CD1 3.81Å; C287-L586 VanDerWaalsContact SG-CD1 3.53Å; L298-L586 HydrophobicContact CD2-CD1 4.08Å; I318-L586 HydrophobicContact CD1-CD2 3.67Å; F353-L586 HydrophobicContact CE1-CD2 4.12Å; A355-L586 HydrophobicContact CB-CD2 3.54Å; L586-P588 WeakPolarHBondContact O-CD 3.42Å; L586-L591 HydrophobicContact CB-CD1 4.08Å; L586-L591 HydrophobicContact CD1-CD1 4.23Å
587	Y	93.9	Very high	90.3	Very high	3 Å²	3	54.3 Å²	54.3	1%	0.012	27%	0.274	C	S	.	.			trans	-104.8	104.6	-178.6	-43.5	-72	0	0	0	110	N187 L261 K265 A355 Q356 S589 C590 L591	N187-Y587 PolarHBondContact ND2-OH 3.32Å; N187-Y587 PolarHBondContact OD1-OH 2.9Å; L261-Y587 HydrophobicContact CD1-CD1 3.77Å; L261-Y587 HydrophobicContact CD1-CD2 4.31Å; L261-Y587 HydrophobicContact CD1-CE1 4.42Å; L261-Y587 HydrophobicContact CD1-CG 3.7Å; L261-Y587 HydrophobicContact CD2-CD2 4.3Å; L261-Y587 HydrophobicContact CD2-CE1 4.5Å; L261-Y587 HydrophobicContact CD2-CE2 4.28Å; L261-Y587 HydrophobicContact CD2-CG 4.44Å; L261-Y587 HydrophobicContact CG-CD1 3.74Å; L261-Y587 HydrophobicContact CG-CD2 4.32Å; L261-Y587 HydrophobicContact CG-CE1 3.89Å; L261-Y587 HydrophobicContact CG-CE2 4.46Å; L261-Y587 HydrophobicContact CG-CG 3.98Å; L261-Y587 WeakPolarHBondContact O-CD1 3.17Å; K265-Y587 HydrophobicContact CD-CE1 4.08Å; K265-Y587 WeakPolarHBondContact CE-OH 3.48Å; K265-Y587 HydrophobicContact CG-CD1 3.76Å; K265-Y587 HydrophobicContact CG-CE1 3.35Å; A355-Y587 HydrophobicContact CB-CD2 4.04Å; A355-Y587 HydrophobicContact CB-CE2 3.83Å; Q356-Y587 HydrophobicContact CB-CE2 4.45Å; Y587-S589 PolarHBondContact O-N 3.23Å; Y587-S589 VanDerWaalsContact O-N 3.07Å; Y587-C590 PolarHBondContact O-N 2.78Å; Y587-L591 WeakPolarHBondContact O-CG 3.44Å
588	P	93	Very high	89.8	Confident	24 Å²	24	50.8 Å²	50.8	16%	0.156	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-52.6	-33.5	178.4	-23	28.4	0	0	0	113.6	T264 E266 M268 Y296 L586 C590 L591	T264-P588 WeakPolarHBondContact O-CD 3.46Å; E266-P588 HydrophobicContact CB-CG 4.27Å; E266-P588 VanDerWaalsContact CD-CG 3.43Å; E266-P588 HydrophobicContact CG-CG 3.82Å; E266-P588 WeakPolarHBondContact OE1-CG 3.36Å; M268-P588 HydrophobicContact CE-CB 4.28Å; M268-P588 HydrophobicContact CE-CG 3.59Å; Y296-P588 HydrophobicContact CE1-CB 4.46Å; L586-P588 WeakPolarHBondContact O-CD 3.42Å; P588-C590 VanDerWaalsContact C-N 3.26Å; P588-C590 PolarHBondContact O-N 2.99Å; P588-L591 PolarHBondContact O-N 3.11Å
589	S	91.1	Very high	89.1	Confident	92 Å²	92	48.9 Å²	48.9	64%	0.643	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	-68.6	-19.5	178.7	54.6	0	0	0	0	114.7	Y587	Y587-S589 PolarHBondContact O-N 3.23Å; Y587-S589 VanDerWaalsContact O-N 3.07Å
590	C	92.1	Very high	87.8	Confident	38 Å²	38	54.8 Å²	54.8	26%	0.257	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-97.6	1.1	177.7	-63.2	0	0	0	0	112.3	Y587 P588	Y587-C590 PolarHBondContact O-N 2.78Å; P588-C590 VanDerWaalsContact C-N 3.26Å; P588-C590 PolarHBondContact O-N 2.99Å
591	L	94	Very high	86.6	Confident	18 Å²	18	55.6 Å²	55.6	9%	0.094	30%	0.295	C	S	.	.	S	Bend	trans	-118.8	146.6	-173.1	-63.1	177.6	0	0	0	111.5	M268 Y296 L298 N358 L586 Y587 P588	M268-L591 HydrophobicContact SD-CD1 4.29Å; Y296-L591 HydrophobicContact CD1-CB 3.8Å; Y296-L591 HydrophobicContact CG-CB 4.03Å; Y296-L591 HydrophobicContact CG-CD1 4.2Å; L298-L591 HydrophobicContact CD2-CD1 4.39Å; L298-L591 HydrophobicContact CD2-CD2 3.76Å; N358-L591 HydrophobicContact CB-CD2 4.22Å; L586-L591 HydrophobicContact CB-CD1 4.08Å; L586-L591 HydrophobicContact CD1-CD1 4.23Å; Y587-L591 WeakPolarHBondContact O-CG 3.44Å; P588-L591 PolarHBondContact O-N 3.11Å
592	E	92.7	Very high	84.6	Confident	139 Å²	139	57.9 Å²	57.9	65%	0.65	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.3	130.7	172.5	-64.7	-176.6	175.3	0	0	109.8	Y296 K297	Y296-E592 CarbonylContact C-O 3.58Å; Y296-E592 VanDerWaalsContact CA-O 3.27Å; Y296-E592 WeakPolarHBondContact CA-O 3.01Å; K297-E592 PolarHBondContact N-O 2.91Å
593	E	91.3	Very high	82.5	Confident	103 Å²	103	61.8 Å²	61.8	48%	0.481	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	141.1	173.1	-167.9	168.6	166.9	0	0	109.9	K294 Y296	K294-E593 IonicContact NZ-OE1 3.64Å; K294-E593 IonicContact NZ-OE2 3.7Å; K294-E593 PolarHBondContact NZ-OE2 3.25Å; Y296-E593 HydrophobicContact CD1-CB 4.4Å; Y296-E593 HydrophobicContact CE1-CB 4.46Å
594	S	87.5	Confident	79.9	Confident	15 Å²	15	62.7 Å²	62.7	11%	0.105	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-62.7	131.5	176.1	-173.8	0	0	0	0	109.7	E277 V295 W596	E277-S594 PolarHBondContact OE1-OG 3.46Å; E277-S594 VanDerWaalsContact OE1-OG 3.12Å; V295-S594 PolarHBondContact O-N 3.14Å; S594-W596 PolarHBondContact O-N 2.86Å; S594-W596 VanDerWaalsContact O-N 3.14Å; S594-W596 PolarHBondContact OG-N 2.98Å
595	P	81.1	Confident	77.7	Confident	79 Å²	79	69 Å²	69	51%	0.513	37%	0.366	S	S	.	.			trans	-77.3	9.7	175.5	36.8	-36.8	0	0	0	112	K297 K597	K297-P595 VanDerWaalsContact NZ-CD 3.25Å; P595-K597 PolarHBondContact O-N 2.87Å
596	W	81.3	Confident	75.2	Confident	62 Å²	62	72.2 Å²	72.2	24%	0.235	39%	0.387	C	S	.	.			trans	-45.7	123.9	-179.6	177	-117.3	0	0	0	110.5	E277 E569 W573 S594	E277-W596 HydrophobicContact CG-CE3 3.93Å; E277-W596 HydrophobicContact CG-CZ3 4.29Å; E277-W596 WeakPolarHBondContact OE1-CB 3.41Å; E569-W596 PolarHBondContact O-NE1 3.01Å; W573-W596 HydrophobicContact CB-CD2 3.85Å; W573-W596 HydrophobicContact CB-CE3 4Å; W573-W596 HydrophobicContact CB-CH2 3.73Å; W573-W596 HydrophobicContact CB-CZ2 3.55Å; W573-W596 HydrophobicContact CB-CZ3 3.95Å; W573-W596 HydrophobicContact CE3-CG 4.39Å; S594-W596 PolarHBondContact O-N 2.86Å; S594-W596 VanDerWaalsContact O-N 3.14Å; S594-W596 PolarHBondContact OG-N 2.98Å
597	K	76.5	Confident	72.7	Confident	171 Å²	171	75.3 Å²	75.3	74%	0.743	42%	0.419	S	S	*	.			trans	-124.2	129.6	168.3	-71.5	-179.1	-177.2	179.1	0	107.5	P595	P595-K597 PolarHBondContact O-N 2.87Å
598	P	72.8	Confident	70.2	Confident	24 Å²	24	78 Å²	78	16%	0.156	44%	0.436	C	S	.	.			trans	-56.3	138	173.1	23.6	-33.3	0	0	0	109.7	R570 L602 F603	R570-P598 HydrophobicContact CB-CG 4.37Å; R570-P598 HydrophobicContact CG-CG 4.15Å; P598-L602 HydrophobicContact CB-CD1 3.5Å; P598-L602 VanDerWaalsContact CB-CD1 3.5Å; P598-F603 HydrophobicContact CB-CE2 4.29Å; P598-F603 HydrophobicContact CB-CZ 4.32Å; P598-F603 HydrophobicContact CG-CE2 3.92Å; P598-F603 HydrophobicContact CG-CZ 3.72Å
599	P	70.9	Confident	67.8	Low	36 Å²	36	83 Å²	83	23%	0.234	46%	0.457	C	S	.	.			trans	-50.9	141.4	175	-28.5	32.7	0	0	0	113.5	Y601 L602	P599-Y601 VanDerWaalsContact C-N 3.32Å; P599-Y601 HydrophobicContact CB-CD1 3.83Å; P599-Y601 HydrophobicContact CB-CE1 3.23Å; P599-Y601 HydrophobicContact CB-CE2 4.07Å; P599-Y601 HydrophobicContact CB-CG 4.47Å; P599-Y601 HydrophobicContact CG-CE1 4.12Å; P599-Y601 PolarHBondContact O-N 2.99Å; P599-L602 HydrophobicContact CB-CD1 4.41Å; P599-L602 HydrophobicContact CG-CD1 4.42Å; P599-L602 VanDerWaalsContact O-CB 3.23Å; P599-L602 WeakPolarHBondContact O-CB 3.23Å; P599-L602 WeakPolarHBondContact O-CG 3.49Å; P599-L602 PolarHBondContact O-N 3.28Å; P599-L602 VanDerWaalsContact O-N 3.09Å
600	T	61.6	Low	65.6	Low	124 Å²	124	82.5 Å²	82.5	76%	0.761	44%	0.444	S	S	*	.	G	3₁₀ helix	trans	-62.4	-30.6	-172.6	36.6	0	0	0	0	114.7	L602 F603	T600-L602 PolarHBondContact O-N 3.08Å; T600-L602 VanDerWaalsContact O-N 3.15Å; T600-F603 PolarHBondContact O-N 2.87Å
601	Y	65	Low	63.3	Low	99 Å²	99	85.6 Å²	85.6	39%	0.388	45%	0.454	S	S	.	.	G	3₁₀ helix	trans	-65.3	-14.1	176.5	59	-102.1	0	0	0	113.3	R546 P599 F603 S604	R546-Y601 PolarHBondContact NH2-OH 3.15Å; P599-Y601 VanDerWaalsContact C-N 3.32Å; P599-Y601 HydrophobicContact CB-CD1 3.83Å; P599-Y601 HydrophobicContact CB-CE1 3.23Å; P599-Y601 HydrophobicContact CB-CE2 4.07Å; P599-Y601 HydrophobicContact CB-CG 4.47Å; P599-Y601 HydrophobicContact CG-CE1 4.12Å; P599-Y601 PolarHBondContact O-N 2.99Å; Y601-F603 PolarHBondContact O-N 2.88Å; Y601-F603 VanDerWaalsContact O-N 3.15Å; Y601-S604 PolarHBondContact O-N 3.09Å
602	L	51.7	Low	60.9	Low	67 Å²	67	92.1 Å²	92.1	35%	0.351	48%	0.484	S	S	.	.	G	3₁₀ helix	trans	-64.6	-12.1	170	-69.2	166.4	0	0	0	112.9	P598 P599 T600	P598-L602 HydrophobicContact CB-CD1 3.5Å; P598-L602 VanDerWaalsContact CB-CD1 3.5Å; P599-L602 HydrophobicContact CB-CD1 4.41Å; P599-L602 HydrophobicContact CG-CD1 4.42Å; P599-L602 VanDerWaalsContact O-CB 3.23Å; P599-L602 WeakPolarHBondContact O-CB 3.23Å; P599-L602 WeakPolarHBondContact O-CG 3.49Å; P599-L602 PolarHBondContact O-N 3.28Å; P599-L602 VanDerWaalsContact O-N 3.09Å; T600-L602 PolarHBondContact O-N 3.08Å; T600-L602 VanDerWaalsContact O-N 3.15Å
603	F	52.3	Low	58.5	Low	105 Å²	105	90.9 Å²	90.9	46%	0.461	48%	0.481	S	S	.	.	G	3₁₀ helix	trans	-115.6	11.3	-176.4	-53.6	-78.4	0	0	0	113.8	P598 T600 Y601 T605	P598-F603 HydrophobicContact CB-CE2 4.29Å; P598-F603 HydrophobicContact CB-CZ 4.32Å; P598-F603 HydrophobicContact CG-CE2 3.92Å; P598-F603 HydrophobicContact CG-CZ 3.72Å; T600-F603 PolarHBondContact O-N 2.87Å; Y601-F603 PolarHBondContact O-N 2.88Å; Y601-F603 VanDerWaalsContact O-N 3.15Å; F603-T605 PolarHBondContact O-N 3.16Å
604	S	42.6	Very low	56.6	Low	48 Å²	48	94.3 Å²	94.3	34%	0.336	50%	0.503	S	S	.	.			trans	-58.4	111.7	168.1	168.1	0	0	0	0	108.6	Y601 D606	Y601-S604 PolarHBondContact O-N 3.09Å; S604-D606 PolarHBondContact O-N 2.77Å; S604-D606 PolarHBondContact OG-N 3.36Å
605	T	48.5	Very low	54.9	Low	136 Å²	136	96.4 Å²	96.4	83%	0.834	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-17.6	175.4	46.7	0	0	0	0	112.4	F603	F603-T605 PolarHBondContact O-N 3.16Å
606	D	43.5	Very low	52.8	Low	133 Å²	133	100 Å²	100	71%	0.711	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	4.3	-172.6	-74.8	7.9	0	0	0	113.1	S604 T608	S604-D606 PolarHBondContact O-N 2.77Å; S604-D606 PolarHBondContact OG-N 3.36Å; D606-T608 PolarHBondContact O-N 3.14Å
607	G	43.5	Very low	51.4	Low	66 Å²	66	102.1 Å²	102.1	68%	0.68	55%	0.551	S	S	*	*			trans	63.2	8.5	173.3	0	0	0	0	0	114.4	E609	G607-E609 PolarHBondContact O-N 3.42Å
608	T	41.1	Very low	50.2	Low	59 Å²	59	97.4 Å²	97.4	36%	0.362	54%	0.536	S	S	.	.			trans	-77.4	109.3	171.8	41.5	0	0	0	0	108.8	D606 E610	D606-T608 PolarHBondContact O-N 3.14Å; T608-E610 PolarHBondContact O-N 3.15Å; T608-E610 VanDerWaalsContact O-N 3.14Å
609	E	43.2	Very low	49.2	Very low	129 Å²	129	98.6 Å²	98.6	60%	0.603	55%	0.548	S	S	*	.			trans	-65.2	108.7	167.1	-65.4	-173.6	158.3	0	0	108.4	G607 F611	G607-E609 PolarHBondContact O-N 3.42Å; E609-F611 HydrophobicContact CB-CD2 4.27Å; E609-F611 HydrophobicContact CB-CE2 3.54Å; E609-F611 HydrophobicContact CB-CZ 4.12Å; E609-F611 WeakPolarHBondContact OE2-CZ 3.45Å
610	E	43.5	Very low	48	Very low	81 Å²	81	101.9 Å²	101.9	38%	0.379	56%	0.563	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-90.2	126.9	170.5	-69	179.4	161.6	0	0	109	T608 M617 A619	T608-E610 PolarHBondContact O-N 3.15Å; T608-E610 VanDerWaalsContact O-N 3.14Å; E610-M617 HydrophobicContact CB-CE 3.54Å; E610-M617 HydrophobicContact CB-SD 4.48Å; E610-M617 HydrophobicContact CG-CE 4.33Å; E610-M617 WeakPolarHBondContact OE2-CE 3.18Å; E610-A619 HydrophobicContact CG-CB 4.12Å
611	F	45.8	Very low	47.1	Very low	104 Å²	104	101 Å²	101	46%	0.456	56%	0.559	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-112.5	141.3	177.2	-68.6	-89.4	0	0	0	110.5	E609 V618 L620	E609-F611 HydrophobicContact CB-CD2 4.27Å; E609-F611 HydrophobicContact CB-CE2 3.54Å; E609-F611 HydrophobicContact CB-CZ 4.12Å; E609-F611 WeakPolarHBondContact OE2-CZ 3.45Å; F611-V618 PolarHBondContact N-O 3.28Å; F611-V618 PolarHBondContact O-N 3.03Å; F611-L620 HydrophobicContact CD2-CD1 4.2Å; F611-L620 HydrophobicContact CE2-CD1 3.85Å
612	E	43.1	Very low	46.2	Very low	155 Å²	155	102.3 Å²	102.3	72%	0.724	58%	0.58	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-82.1	115.5	174	-166.7	177.4	-175	0	0	109.5
613	L	42.6	Very low	45.9	Very low	112 Å²	112	109.5 Å²	109.5	59%	0.586	63%	0.626	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-123.3	117	175.1	-103.8	151.5	0	0	0	108	G615 E616 V618	L613-G615 PolarHBondContact O-N 3.02Å; L613-G615 VanDerWaalsContact O-N 3.09Å; L613-E616 PolarHBondContact N-O 3.42Å; L613-E616 PolarHBondContact O-N 2.95Å; L613-E616 VanDerWaalsContact O-N 3.14Å; L613-V618 HydrophobicContact CB-CG2 4.42Å
614	D	50.9	Low	45.6	Very low	175 Å²	175	109.7 Å²	109.7	94%	0.936	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	47.7	37.5	179.6	-69.3	-29.2	0	0	0	115
615	G	50.5	Low	45.8	Very low	60 Å²	60	112.9 Å²	112.9	62%	0.619	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	87.7	3.7	174.1	0	0	0	0	0	115.6	L613	L613-G615 PolarHBondContact O-N 3.02Å; L613-G615 VanDerWaalsContact O-N 3.09Å
616	E	38.7	Very low	45.6	Very low	153 Å²	153	111.7 Å²	111.7	72%	0.715	64%	0.64	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-118.3	144.7	169.2	-71.6	-171.4	168	0	0	111.6	L613	L613-E616 PolarHBondContact N-O 3.42Å; L613-E616 PolarHBondContact O-N 2.95Å; L613-E616 VanDerWaalsContact O-N 3.14Å
617	M	50.7	Low	45.7	Very low	107 Å²	107	110.4 Å²	110.4	53%	0.527	64%	0.635	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-81.8	117.7	178.3	-71.6	-84.9	-73.1	0	0	109.6	E610	E610-M617 HydrophobicContact CB-CE 3.54Å; E610-M617 HydrophobicContact CB-SD 4.48Å; E610-M617 HydrophobicContact CG-CE 4.33Å; E610-M617 WeakPolarHBondContact OE2-CE 3.18Å
618	V	51.3	Low	45.9	Very low	73 Å²	73	113.2 Å²	113.2	44%	0.442	63%	0.633	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-113.9	121.8	179.5	-175	0	0	0	0	109.6	F611 L613	F611-V618 PolarHBondContact N-O 3.28Å; F611-V618 PolarHBondContact O-N 3.03Å; L613-V618 HydrophobicContact CB-CG2 4.42Å
619	A	52.7	Low	46.2	Very low	48 Å²	48	116.8 Å²	116.8	40%	0.397	65%	0.651	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-81.5	135.1	170.9	0	0	0	0	0	110.5	E610	E610-A619 HydrophobicContact CG-CB 4.12Å
620	L	45.1	Very low	46.4	Very low	106 Å²	106	115.9 Å²	115.9	56%	0.555	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-71.2	138.8	170.7	-76.6	169.2	0	0	0	110.7	F611	F611-L620 HydrophobicContact CD2-CD1 4.2Å; F611-L620 HydrophobicContact CE2-CD1 3.85Å
621	P	42.6	Very low	46.6	Very low	105 Å²	105	118.6 Å²	118.6	68%	0.682	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-66.2	145.8	175.2	25.6	-31	0	0	0	111
622	P	46.1	Very low	46.7	Very low	126 Å²	126	119.8 Å²	119.8	82%	0.818	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-63	139.2	179.9	25.9	-32.8	0	0	0	111
623	V	46.3	Very low	47	Very low	218 Å²	218	116.6 Å²	116.6	100%	1.321	69%	0.691	S	S	*	*			trans	-64.4	0	179.5	-179.6	0	0	0	0	112.1

Retrieved 623 of 623 residues in 1211.8 ms (Link to these results)

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