A0A3Q0KL67_SCHMA Loading...

Arginyl-tRNA--protein transferase 1

Involved in the post-translational conjugation of arginine to the N-terminal aspartate or glutamate of a protein. This arginylation is required for degradation of the protein via the ubiquitin pathway.

AlphaFold DB , UniProt , Accession A0A3Q0KL67, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 597 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	56.7	Low	85.7	Confident	201 Å²	201	62.1 Å²	62.1	99%	0.99	32%	0.317	S	S	*	.				0	146.7	0	-83.8	176.8	-179.5	0	0	108.3
2	K	70.8	Confident	86.2	Confident	204 Å²	204	58.8 Å²	58.8	89%	0.887	30%	0.303	S	S	*	.	P	Polyproline II helix	trans	-69.6	136.6	165.6	-74.5	-176.1	178.2	-179.9	0	108.2
3	L	81.5	Confident	86.4	Confident	63 Å²	63	63.5 Å²	63.5	33%	0.33	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-66.8	143.7	178.2	-167.1	72.6	0	0	0	110.3	T5 Y510 P556	L3-T5 PolarHBondContact O-N 3.07Å; L3-Y510 HydrophobicContact CD1-CD1 4.3Å; L3-Y510 HydrophobicContact CD1-CD2 3.75Å; L3-Y510 HydrophobicContact CD1-CE1 4Å; L3-Y510 HydrophobicContact CD1-CE2 3.39Å; L3-Y510 HydrophobicContact CD1-CG 4.18Å; L3-P556 HydrophobicContact CD2-CG 3.36Å
4	C	84.6	Confident	86.3	Confident	23 Å²	23	58.9 Å²	58.9	16%	0.155	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-55.1	129.2	171.6	-172.3	0	0	0	0	111	S587	C4-S587 WeakPolarHBondContact CB-O 3.4Å; C4-S587 PolarHBondContact N-O 2.84Å
5	T	83.8	Confident	86.5	Confident	107 Å²	107	59.7 Å²	59.7	66%	0.656	30%	0.304	S	S	*	.	S	Bend	trans	-80.2	-22.1	-179.9	44.1	0	0	0	0	113.3	L3 D342	L3-T5 PolarHBondContact O-N 3.07Å; T5-D342 PolarHBondContact OG1-OD2 3.4Å
6	N	88.5	Confident	86.5	Confident	10 Å²	10	59.6 Å²	59.6	5%	0.053	30%	0.302	C	S	.	.	S	Bend	trans	-134.5	74.9	-177.9	-176.9	9.8	0	0	0	110.2	R41 T43 L340 D342	N6-R41 PolarHBondContact OD1-NE 3.45Å; N6-R41 PolarHBondContact OD1-NH2 3.01Å; N6-T43 WeakPolarHBondContact O-CG2 3.4Å; N6-L340 PolarHBondContact ND2-O 2.85Å; N6-D342 WeakPolarHBondContact CB-OD1 3.34Å; N6-D342 WeakPolarHBondContact CB-OD2 3.08Å; N6-D342 PolarHBondContact ND2-OD1 3.3Å
7	P	93.5	Very high	86.3	Confident	20 Å²	20	59.7 Å²	59.7	13%	0.13	31%	0.309	C	S	.	.			trans	-73.8	154.4	-176.7	33.3	-39	0	0	0	112	L9 H589 Q591	P7-L9 HydrophobicContact CB-CD2 4.5Å; P7-L9 HydrophobicContact CG-CD2 4.09Å; P7-H589 CarbonylContact C-O 3.55Å; P7-H589 WeakPolarHBondContact CA-O 3.31Å; P7-Q591 HydrophobicContact CB-CG 3.77Å; P7-Q591 HydrophobicContact CG-CG 4.19Å
8	S	96.5	Very high	85.7	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	137.5	158.8	-63.4	0	0	0	0	110.3	R41 T43 D46 H589 F590 Q591	S8-R41 CarbonylContact C-O 3.59Å; S8-R41 WeakPolarHBondContact CA-O 3.46Å; S8-T43 PolarHBondContact OG-N 3.33Å; S8-D46 WeakPolarHBondContact CB-OD2 3.44Å; S8-D46 WeakPolarHBondContact OG-CB 3.24Å; S8-D46 PolarHBondContact OG-OD2 3.26Å; S8-H589 PolarHBondContact N-O 3.06Å; S8-F590 WeakPolarHBondContact O-CA 3.32Å; S8-Q591 PolarHBondContact O-N 3.12Å
9	L	95.8	Very high	85.3	Confident	3 Å²	3	58.3 Å²	58.3	2%	0.016	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	119.4	-176.1	-54	-178.8	0	0	0	110.3	P7 E40 R41 F551 Q591 I593	P7-L9 HydrophobicContact CB-CD2 4.5Å; P7-L9 HydrophobicContact CG-CD2 4.09Å; L9-E40 PolarHBondContact O-N 3.22Å; L9-R41 HydrophobicContact CB-CB 4.11Å; L9-R41 HydrophobicContact CD1-CB 4.35Å; L9-R41 HydrophobicContact CG-CB 4.13Å; L9-R41 PolarHBondContact N-O 3.07Å; L9-R41 PolarHBondContact O-N 2.88Å; L9-F551 HydrophobicContact CD1-CB 4.25Å; L9-F551 HydrophobicContact CD1-CD1 3.33Å; L9-F551 HydrophobicContact CD1-CD2 4.43Å; L9-F551 HydrophobicContact CD1-CE1 3.65Å; L9-F551 HydrophobicContact CD1-CG 3.77Å; L9-F551 HydrophobicContact CD1-CZ 4.32Å; L9-Q591 WeakPolarHBondContact CA-O 3.49Å; L9-Q591 HydrophobicContact CD2-CB 3.92Å; L9-I593 HydrophobicContact CB-CD1 3.61Å; L9-I593 HydrophobicContact CB-CG1 3.93Å
10	V	96.1	Very high	85.1	Confident	4 Å²	4	62.3 Å²	62.3	2%	0.024	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	151.6	-169.7	-61.8	0	0	0	0	112.9	M37 M38 A39 Q591 I592 I593	V10-M37 HydrophobicContact CB-SD 3.68Å; V10-M37 HydrophobicContact CG1-SD 3.73Å; V10-M37 HydrophobicContact CG2-SD 4.03Å; V10-M38 CarbonylContact C-O 3.54Å; V10-M38 VanDerWaalsContact CA-O 3.26Å; V10-M38 WeakPolarHBondContact CA-O 3.46Å; V10-A39 HydrophobicContact CG1-CB 4.33Å; V10-Q591 PolarHBondContact N-O 2.89Å; V10-I592 HydrophobicContact CG2-CG1 4.47Å; V10-I592 CarbonylContact O-C 3.57Å; V10-I592 WeakPolarHBondContact O-CA 3.39Å; V10-I593 PolarHBondContact O-N 2.88Å
11	I	94.6	Very high	84.9	Confident	48 Å²	48	59.4 Å²	59.4	25%	0.246	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	99.9	175.1	-57.4	164.8	0	0	0	107.5	Y13 M37 M38 E40 I593	I11-Y13 HydrophobicContact CG2-CE1 3.96Å; I11-M37 CarbonylContact O-C 3.52Å; I11-M37 WeakPolarHBondContact O-CA 3.5Å; I11-M37 VanDerWaalsContact O-CB 3.25Å; I11-M37 WeakPolarHBondContact O-CB 3.45Å; I11-M38 HydrophobicContact CB-CB 4.21Å; I11-M38 PolarHBondContact N-O 3.36Å; I11-M38 PolarHBondContact O-N 3.15Å; I11-E40 HydrophobicContact CD1-CG 4.28Å; I11-I593 HydrophobicContact CD1-CD1 4.47Å; I11-I593 HydrophobicContact CG1-CB 3.86Å; I11-I593 HydrophobicContact CG1-CD1 4.2Å; I11-I593 HydrophobicContact CG1-CG2 4.45Å
12	P	92.7	Very high	85.8	Confident	22 Å²	22	52.6 Å²	52.6	14%	0.143	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	134	-179.1	28.2	-32.9	0	0	0	111.9	F574 W577 I592	P12-F574 HydrophobicContact CG-CD1 3.91Å; P12-F574 HydrophobicContact CG-CE1 3.7Å; P12-W577 VanDerWaalsContact CB-CD1 3.48Å; P12-W577 HydrophobicContact CB-CD2 3.91Å; P12-W577 HydrophobicContact CB-CG 3.88Å; P12-W577 HydrophobicContact CB-CZ2 4.21Å; P12-W577 VanDerWaalsContact CB-NE1 3.25Å; P12-I592 HydrophobicContact CG-CD1 4.45Å; P12-I592 HydrophobicContact CG-CG1 4.48Å; P12-I592 HydrophobicContact CG-CG2 4Å
13	Y	88.1	Confident	86.2	Confident	120 Å²	120	46.6 Å²	46.6	47%	0.471	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	-11.4	173.1	-54.8	-49.7	0	0	0	113.4	I11 G36 M38 Y61	I11-Y13 HydrophobicContact CG2-CE1 3.96Å; Y13-G36 WeakPolarHBondContact CA-O 3.34Å; Y13-G36 VanDerWaalsContact CB-O 3.29Å; Y13-G36 WeakPolarHBondContact CB-O 3.42Å; Y13-G36 PolarHBondContact N-O 3.39Å; Y13-M38 HydrophobicContact CE2-CB 4.03Å; Y13-M38 HydrophobicContact CE2-CE 4.45Å; Y13-M38 WeakPolarHBondContact OH-CB 3.36Å; Y13-Y61 HydrophobicContact CD2-CD2 4.42Å; Y13-Y61 HydrophobicContact CD2-CE2 4.18Å; Y13-Y61 HydrophobicContact CE2-CD2 4.24Å; Y13-Y61 HydrophobicContact CE2-CE2 4.44Å
14	G	85.8	Confident	86.1	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	79.4	-167.2	-177.2	0	0	0	0	0	113.5	H16 G36	G14-H16 PolarHBondContact O-ND1 2.86Å; G14-H16 VanDerWaalsContact O-ND1 3.08Å; G14-G36 PolarHBondContact O-N 2.72Å
15	P	88.4	Confident	85.2	Confident	70 Å²	70	51.1 Å²	51.1	46%	0.455	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	132.4	179.3	32.6	-32.2	0	0	0	110	N34 W35 L66	P15-N34 WeakPolarHBondContact CA-O 3.33Å; P15-W35 HydrophobicContact CB-CD2 4.36Å; P15-W35 HydrophobicContact CB-CZ2 4.33Å; P15-W35 HydrophobicContact CG-CH2 4.22Å; P15-W35 HydrophobicContact CG-CZ2 4.25Å; P15-L66 HydrophobicContact CB-CD1 3.85Å
16	H	86.6	Confident	84	Confident	58 Å²	58	52.9 Å²	52.9	27%	0.269	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	151.6	176.4	56.3	-77.2	0	0	0	111.7	G14 S18 T33 N34 Y61	G14-H16 PolarHBondContact O-ND1 2.86Å; G14-H16 VanDerWaalsContact O-ND1 3.08Å; H16-S18 PolarHBondContact O-N 2.69Å; H16-T33 WeakPolarHBondContact O-CA 3.38Å; H16-T33 WeakPolarHBondContact O-CG2 3.49Å; H16-N34 PolarHBondContact N-O 3.36Å; H16-N34 PolarHBondContact O-N 3.28Å; H16-Y61 PolarHBondContact CE1-OH 2.91Å; H16-Y61 AromaticContact NE2-CZ 3.82Å; H16-Y61 PolarHBondContact NE2-OH 3.17Å
17	S	83.7	Confident	82.4	Confident	62 Å²	62	54.5 Å²	54.5	43%	0.434	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	127	168.9	-178.8	0	0	0	0	109.3	G19	S17-G19 PolarHBondContact OG-N 2.85Å
18	S	75	Confident	80.7	Confident	59 Å²	59	58.4 Å²	58.4	41%	0.413	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	14	171.6	56.9	0	0	0	0	113.2	H16 K32 N34	H16-S18 PolarHBondContact O-N 2.69Å; S18-K32 PolarHBondContact N-O 2.95Å; S18-K32 WeakPolarHBondContact OG-CB 3.48Å; S18-K32 WeakPolarHBondContact OG-CD 3.48Å; S18-K32 VanDerWaalsContact OG-CG 3.27Å; S18-K32 WeakPolarHBondContact OG-CG 3.41Å; S18-K32 PolarHBondContact OG-O 3.06Å; S18-N34 VanDerWaalsContact CB-ND2 3.33Å; S18-N34 WeakPolarHBondContact CB-ND2 3.47Å; S18-N34 PolarHBondContact OG-ND2 2.89Å
19	G	78.8	Confident	79.1	Confident	34 Å²	34	64.5 Å²	64.5	35%	0.351	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	95.1	-162.7	-178.5	0	0	0	0	0	113.4	S17 K32	S17-G19 PolarHBondContact OG-N 2.85Å; G19-K32 PolarHBondContact O-N 3.41Å; G19-K32 VanDerWaalsContact O-N 3.12Å
20	Q	80.1	Confident	77.7	Confident	138 Å²	138	65.5 Å²	65.5	65%	0.645	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.3	139.7	-177.8	-164.8	175.7	14.8	0	0	110.9	G22 S27	Q20-G22 PolarHBondContact O-N 3.17Å; Q20-G22 VanDerWaalsContact O-N 3.15Å; Q20-S27 PolarHBondContact NE2-O 3.48Å
21	C	81.8	Confident	76.5	Confident	2 Å²	2	71.1 Å²	71.1	1%	0.014	40%	0.396	C	S	.	.			trans	-69.8	112	178.4	-174.8	0	0	0	0	111.8	Y23 K25 D30 C71 C72	C21-Y23 PolarHBondContact O-N 2.98Å; C21-Y23 VanDerWaalsContact O-N 3.14Å; C21-K25 PolarHBondContact O-N 3.08Å; C21-D30 HydrophobicContact CB-CB 4.23Å; C21-D30 WeakPolarHBondContact CB-O 3.37Å; C21-D30 PolarHBondContact N-O 2.85Å; C21-C71 WeakPolarHBondContact CB-SG 3.39Å; C21-C71 PolarHBondContact SG-SG 3.46Å; C21-C72 VanDerWaalsContact SG-SG 3.69Å
22	G	75.7	Confident	75.9	Confident	58 Å²	58	70.7 Å²	70.7	60%	0.598	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-4.5	175.9	0	0	0	0	0	115.5	Q20	Q20-G22 PolarHBondContact O-N 3.17Å; Q20-G22 VanDerWaalsContact O-N 3.15Å
23	Y	79.3	Confident	75.7	Confident	77 Å²	77	70.7 Å²	70.7	30%	0.302	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-50.6	-176.1	-56.9	-63.1	0	0	0	113.6	C21 C72 I438 C441 M444	C21-Y23 PolarHBondContact O-N 2.98Å; C21-Y23 VanDerWaalsContact O-N 3.14Å; Y23-C72 HydrophobicContact CD2-CB 4.17Å; Y23-I438 HydrophobicContact CD1-CD1 3.76Å; Y23-I438 HydrophobicContact CD2-CD1 3.35Å; Y23-I438 HydrophobicContact CE1-CD1 3.63Å; Y23-I438 HydrophobicContact CE2-CD1 3.2Å; Y23-I438 HydrophobicContact CG-CD1 3.62Å; Y23-C441 HydrophobicContact CD1-CB 4.42Å; Y23-M444 HydrophobicContact CD1-CG 4.45Å; Y23-M444 HydrophobicContact CE1-CG 4.27Å; Y23-M444 HydrophobicContact CE1-SD 4.33Å
24	C	78.7	Confident	75.9	Confident	24 Å²	24	65.1 Å²	65.1	16%	0.162	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-24.3	-178.5	52.9	0	0	0	0	113.2	N26 D30	C24-N26 WeakPolarHBondContact O-CA 3.39Å; C24-N26 WeakPolarHBondContact O-CB 3.35Å; C24-N26 PolarHBondContact O-N 3.29Å; C24-N26 PolarHBondContact O-ND2 3.24Å; C24-N26 PolarHBondContact O-OD1 3.28Å; C24-D30 PolarHBondContact SG-OD2 3.32Å
25	K	66.6	Low	76.2	Confident	158 Å²	158	66.3 Å²	66.3	69%	0.687	38%	0.375	S	S	*	.			trans	46.2	8.6	179.4	-67.9	-163.8	174.8	-163	0	116.3	C21	C21-K25 PolarHBondContact O-N 3.08Å
26	N	57	Low	76.5	Confident	144 Å²	144	63 Å²	63	77%	0.77	35%	0.353	S	S	*	.			trans	-103.7	3.6	-157.5	-83.4	-7.8	0	0	0	114.6	C24	C24-N26 WeakPolarHBondContact O-CA 3.39Å; C24-N26 WeakPolarHBondContact O-CB 3.35Å; C24-N26 PolarHBondContact O-N 3.29Å; C24-N26 PolarHBondContact O-ND2 3.24Å; C24-N26 PolarHBondContact O-OD1 3.28Å
27	S	56.4	Low	76.9	Confident	43 Å²	43	60.2 Å²	60.2	30%	0.301	34%	0.341	S	S	.	.			trans	-157.8	163.1	166	77.5	0	0	0	0	111.7	Q20 D29 D30	Q20-S27 PolarHBondContact NE2-O 3.48Å; S27-D29 PolarHBondContact O-N 3.28Å; S27-D29 PolarHBondContact OG-N 3.16Å; S27-D30 PolarHBondContact N-OD2 3.5Å; S27-D30 PolarHBondContact OG-N 2.87Å; S27-D30 PolarHBondContact OG-OD1 2.79Å; S27-D30 PolarHBondContact OG-OD2 3.31Å
28	S	58	Low	77.5	Confident	102 Å²	102	59.6 Å²	59.6	71%	0.713	33%	0.331	S	S	*	.	S	Bend	trans	-68.2	-20.6	167.4	51.6	0	0	0	0	112.6
29	D	62.2	Low	78.5	Confident	128 Å²	128	56.8 Å²	56.8	68%	0.684	31%	0.312	S	S	*	.	S	Bend	trans	-93.1	-9.9	-174.8	-65.9	-21.5	0	0	0	113.2	S27 K31	S27-D29 PolarHBondContact O-N 3.28Å; S27-D29 PolarHBondContact OG-N 3.16Å; D29-K31 VanDerWaalsContact C-N 3.35Å; D29-K31 PolarHBondContact O-N 2.6Å
30	D	65.8	Low	79.3	Confident	25 Å²	25	58.8 Å²	58.8	13%	0.134	31%	0.312	C	S	.	.			trans	-69.7	84.4	178.8	-73.9	-13.6	0	0	0	111.8	C21 C24 S27 C71	C21-D30 HydrophobicContact CB-CB 4.23Å; C21-D30 WeakPolarHBondContact CB-O 3.37Å; C21-D30 PolarHBondContact N-O 2.85Å; C24-D30 PolarHBondContact SG-OD2 3.32Å; S27-D30 PolarHBondContact N-OD2 3.5Å; S27-D30 PolarHBondContact OG-N 2.87Å; S27-D30 PolarHBondContact OG-OD1 2.79Å; S27-D30 PolarHBondContact OG-OD2 3.31Å; D30-C71 HydrophobicContact CB-CB 4.29Å
31	K	72.3	Confident	80	Confident	122 Å²	122	54.3 Å²	54.3	53%	0.53	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	135.4	177.7	-67.4	174.6	-173.2	172.5	0	111.5	D29	D29-K31 VanDerWaalsContact C-N 3.35Å; D29-K31 PolarHBondContact O-N 2.6Å
32	K	81.7	Confident	80.7	Confident	38 Å²	38	54.2 Å²	54.2	17%	0.165	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	114.7	168.4	-177.5	-176	175.6	-173.1	0	109.1	S18 G19 T70	S18-K32 PolarHBondContact N-O 2.95Å; S18-K32 WeakPolarHBondContact OG-CB 3.48Å; S18-K32 WeakPolarHBondContact OG-CD 3.48Å; S18-K32 VanDerWaalsContact OG-CG 3.27Å; S18-K32 WeakPolarHBondContact OG-CG 3.41Å; S18-K32 PolarHBondContact OG-O 3.06Å; G19-K32 PolarHBondContact O-N 3.41Å; G19-K32 VanDerWaalsContact O-N 3.12Å; K32-T70 WeakPolarHBondContact CA-OG1 3.29Å
33	T	87.9	Confident	81.7	Confident	22 Å²	22	51.4 Å²	51.4	14%	0.135	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	135	-178.3	-43.1	0	0	0	0	110.1	H16 L66	H16-T33 WeakPolarHBondContact O-CA 3.38Å; H16-T33 WeakPolarHBondContact O-CG2 3.49Å; T33-L66 HydrophobicContact CG2-CD1 3.58Å; T33-L66 PolarHBondContact O-N 3.04Å
34	N	91.8	Very high	82.5	Confident	3 Å²	3	47.8 Å²	47.8	2%	0.016	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	154.1	176.7	-45.1	-77	0	0	0	110	P15 H16 S18 K64 P65	P15-N34 WeakPolarHBondContact CA-O 3.33Å; H16-N34 PolarHBondContact N-O 3.36Å; H16-N34 PolarHBondContact O-N 3.28Å; S18-N34 VanDerWaalsContact CB-ND2 3.33Å; S18-N34 WeakPolarHBondContact CB-ND2 3.47Å; S18-N34 PolarHBondContact OG-ND2 2.89Å; N34-K64 WeakPolarHBondContact CA-O 3.41Å; N34-P65 WeakPolarHBondContact OD1-CA 2.91Å
35	W	93.6	Very high	83.3	Confident	26 Å²	26	47.9 Å²	47.9	10%	0.098	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	135.6	150.6	-73.2	91.5	0	0	0	108.6	P15 W55 Y63 K64 L66 I573 E576 W577 L580	P15-W35 HydrophobicContact CB-CD2 4.36Å; P15-W35 HydrophobicContact CB-CZ2 4.33Å; P15-W35 HydrophobicContact CG-CH2 4.22Å; P15-W35 HydrophobicContact CG-CZ2 4.25Å; W35-W55 HydrophobicContact CB-CH2 3.7Å; W35-W55 HydrophobicContact CB-CZ3 4.35Å; W35-Y63 CarbonylContact O-C 3.57Å; W35-Y63 WeakPolarHBondContact O-CA 3.43Å; W35-K64 PolarHBondContact N-O 3.18Å; W35-K64 PolarHBondContact O-N 2.97Å; W35-L66 VanDerWaalsContact CD1-CD2 3.4Å; W35-I573 HydrophobicContact CZ3-CG2 4.2Å; W35-E576 HydrophobicContact CH2-CB 3.76Å; W35-E576 HydrophobicContact CZ2-CB 4.14Å; W35-W577 HydrophobicContact CB-CH2 4.37Å; W35-W577 HydrophobicContact CB-CZ2 4.16Å; W35-W577 AromaticContact CE3-CD1 3.91Å; W35-W577 HydrophobicContact CE3-CD2 4.35Å; W35-W577 AromaticContact CE3-CE2 3.65Å; W35-W577 HydrophobicContact CE3-CG 4.48Å; W35-W577 HydrophobicContact CE3-CZ2 4.01Å; W35-W577 AromaticContact CE3-NE1 3.35Å; W35-W577 VanDerWaalsContact CE3-NE1 3.35Å; W35-W577 AromaticContact CZ3-CD1 3.62Å; W35-W577 HydrophobicContact CZ3-CG 4.41Å; W35-W577 AromaticContact CZ3-NE1 3.45Å; W35-L580 HydrophobicContact CB-CD1 4.16Å; W35-L580 HydrophobicContact CD2-CD1 3.49Å; W35-L580 VanDerWaalsContact CD2-CD1 3.49Å; W35-L580 HydrophobicContact CE3-CD1 4.05Å; W35-L580 HydrophobicContact CG-CD1 3.49Å; W35-L580 VanDerWaalsContact CG-CD1 3.49Å; W35-L580 HydrophobicContact CZ2-CD1 4.34Å
36	G	93.7	Very high	84.8	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	151.4	173.8	0	0	0	0	0	114.4	Y13 G14 C62 W577	Y13-G36 WeakPolarHBondContact CA-O 3.34Å; Y13-G36 VanDerWaalsContact CB-O 3.29Å; Y13-G36 WeakPolarHBondContact CB-O 3.42Å; Y13-G36 PolarHBondContact N-O 3.39Å; G14-G36 PolarHBondContact O-N 2.72Å; G36-C62 CarbonylContact C-O 3.57Å; G36-C62 WeakPolarHBondContact CA-O 2.91Å; G36-W577 VanDerWaalsContact C-CZ2 3.43Å; G36-W577 WeakPolarHBondContact O-CZ2 3.31Å
37	M	95.3	Very high	86.7	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	154.2	178.4	62.9	-176.2	155	0	0	110.1	V10 I11 M50 W55 C62 W577 L581	V10-M37 HydrophobicContact CB-SD 3.68Å; V10-M37 HydrophobicContact CG1-SD 3.73Å; V10-M37 HydrophobicContact CG2-SD 4.03Å; I11-M37 CarbonylContact O-C 3.52Å; I11-M37 WeakPolarHBondContact O-CA 3.5Å; I11-M37 VanDerWaalsContact O-CB 3.25Å; I11-M37 WeakPolarHBondContact O-CB 3.45Å; M37-M50 HydrophobicContact CE-CE 3.31Å; M37-M50 HydrophobicContact CE-SD 4.04Å; M37-W55 HydrophobicContact CE-CD2 4.45Å; M37-W55 HydrophobicContact CE-CE3 4.09Å; M37-W55 HydrophobicContact CE-CH2 4.44Å; M37-W55 HydrophobicContact CE-CZ3 4.1Å; M37-C62 HydrophobicContact CE-CB 4.21Å; M37-C62 HydrophobicContact CG-CB 3.96Å; M37-C62 PolarHBondContact N-O 2.83Å; M37-C62 PolarHBondContact O-N 3.46Å; M37-W577 HydrophobicContact CB-CH2 3.48Å; M37-W577 VanDerWaalsContact CB-CH2 3.48Å; M37-W577 HydrophobicContact CB-CZ2 3.88Å; M37-W577 HydrophobicContact CB-CZ3 4.1Å; M37-W577 HydrophobicContact CE-CE3 4.23Å; M37-W577 HydrophobicContact CE-CH2 3.95Å; M37-W577 HydrophobicContact CE-CZ3 3.31Å; M37-W577 HydrophobicContact CG-CH2 3.49Å; M37-W577 VanDerWaalsContact CG-CH2 3.49Å; M37-W577 HydrophobicContact CG-CZ2 4.38Å; M37-W577 HydrophobicContact CG-CZ3 3.78Å; M37-W577 HydrophobicContact SD-CE3 3.91Å; M37-W577 HydrophobicContact SD-CH2 3.61Å; M37-W577 HydrophobicContact SD-CZ3 3.21Å; M37-W577 WeakPolarHBondContact SD-CZ3 3.49Å; M37-L581 HydrophobicContact CE-CD2 4.13Å
38	M	96	Very high	88.7	Confident	48 Å²	48	31.8 Å²	31.8	24%	0.236	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	138.8	163.2	-166.4	63.8	67	0	0	109.2	V10 I11 Y13 T60	V10-M38 CarbonylContact C-O 3.54Å; V10-M38 VanDerWaalsContact CA-O 3.26Å; V10-M38 WeakPolarHBondContact CA-O 3.46Å; I11-M38 HydrophobicContact CB-CB 4.21Å; I11-M38 PolarHBondContact N-O 3.36Å; I11-M38 PolarHBondContact O-N 3.15Å; Y13-M38 HydrophobicContact CE2-CB 4.03Å; Y13-M38 HydrophobicContact CE2-CE 4.45Å; Y13-M38 WeakPolarHBondContact OH-CB 3.36Å; M38-T60 WeakPolarHBondContact SD-CB 3.41Å; M38-T60 PolarHBondContact SD-OG1 3.17Å
39	A	96.9	Very high	90.6	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	117.7	163.7	0	0	0	0	0	108.4	V10 L42 T60 P337	V10-A39 HydrophobicContact CG1-CB 4.33Å; A39-L42 HydrophobicContact CB-CB 4.06Å; A39-L42 HydrophobicContact CB-CD2 4.46Å; A39-T60 PolarHBondContact N-O 3.39Å; A39-T60 WeakPolarHBondContact O-CB 3.48Å; A39-P337 HydrophobicContact CB-CB 3.83Å; A39-P337 HydrophobicContact CB-CG 4.05Å; A39-P337 WeakPolarHBondContact O-CB 3.36Å
40	E	94.1	Very high	92.3	Very high	77 Å²	77	21.9 Å²	21.9	36%	0.36	10%	0.102	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	-34.6	166.5	-70.1	-162.2	172.2	0	0	109.9	L9 I11 K514 I593	L9-E40 PolarHBondContact O-N 3.22Å; I11-E40 HydrophobicContact CD1-CG 4.28Å; E40-K514 VanDerWaalsContact CD-NZ 3.29Å; E40-K514 IonicContact OE1-NZ 3.61Å; E40-K514 PolarHBondContact OE1-NZ 2.91Å; E40-K514 IonicContact OE2-NZ 3.7Å; E40-K514 PolarHBondContact OE2-NZ 2.93Å; E40-I593 HydrophobicContact CB-CD1 3.8Å; E40-I593 HydrophobicContact CG-CD1 3.65Å; E40-I593 WeakPolarHBondContact OE2-CD1 3.47Å
41	R	95.2	Very high	93.9	Very high	43 Å²	43	20.7 Å²	20.7	16%	0.162	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	134	177.1	-178	-176.2	179	80.1	4.3	109.2	N6 S8 L9 V339	N6-R41 PolarHBondContact OD1-NE 3.45Å; N6-R41 PolarHBondContact OD1-NH2 3.01Å; S8-R41 CarbonylContact C-O 3.59Å; S8-R41 WeakPolarHBondContact CA-O 3.46Å; L9-R41 HydrophobicContact CB-CB 4.11Å; L9-R41 HydrophobicContact CD1-CB 4.35Å; L9-R41 HydrophobicContact CG-CB 4.13Å; L9-R41 PolarHBondContact N-O 3.07Å; L9-R41 PolarHBondContact O-N 2.88Å; R41-V339 HydrophobicContact CG-CG1 4.27Å; R41-V339 HydrophobicContact CG-CG2 3.65Å
42	L	97	Very high	95.1	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	114.9	178.1	-172.4	62.7	0	0	0	109.9	A39 D46 Y47 M50 P337 L338 V339 F590	A39-L42 HydrophobicContact CB-CB 4.06Å; A39-L42 HydrophobicContact CB-CD2 4.46Å; L42-D46 HydrophobicContact CD1-CB 4.12Å; L42-Y47 HydrophobicContact CD2-CD2 3.49Å; L42-Y47 VanDerWaalsContact CD2-CD2 3.49Å; L42-Y47 HydrophobicContact CD2-CE2 4.35Å; L42-Y47 HydrophobicContact CD2-CG 3.76Å; L42-M50 HydrophobicContact CD1-SD 3.71Å; L42-M50 HydrophobicContact CD2-SD 4.32Å; L42-P337 HydrophobicContact CB-CB 3.95Å; L42-P337 HydrophobicContact CB-CG 4.01Å; L42-P337 HydrophobicContact CD2-CG 4.33Å; L42-P337 PolarHBondContact N-O 2.73Å; L42-L338 HydrophobicContact CB-CD2 4.32Å; L42-L338 HydrophobicContact CD2-CD2 4.07Å; L42-L338 HydrophobicContact CG-CD2 4.24Å; L42-L338 VanDerWaalsContact O-CA 3.26Å; L42-L338 WeakPolarHBondContact O-CA 3.33Å; L42-V339 PolarHBondContact O-N 3.33Å; L42-F590 HydrophobicContact CD1-CE1 4.21Å
43	T	96.5	Very high	95.8	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	146.8	176.9	69.9	0	0	0	0	110.1	N6 S8 S45 D46 Y47 V339 D341	N6-T43 WeakPolarHBondContact O-CG2 3.4Å; S8-T43 PolarHBondContact OG-N 3.33Å; T43-S45 PolarHBondContact O-N 3.09Å; T43-D46 PolarHBondContact O-N 3.02Å; T43-D46 WeakPolarHBondContact OG1-CB 3.34Å; T43-D46 PolarHBondContact OG1-N 2.96Å; T43-D46 PolarHBondContact OG1-OD2 2.99Å; T43-Y47 PolarHBondContact O-N 3.24Å; T43-V339 CarbonylContact C-O 3.55Å; T43-V339 WeakPolarHBondContact CA-O 3.5Å; T43-V339 HydrophobicContact CG2-CG2 4.26Å; T43-D341 VanDerWaalsContact CB-OD1 3.27Å; T43-D341 WeakPolarHBondContact CB-OD1 3.39Å; T43-D341 PolarHBondContact OG1-OD1 3.41Å
44	V	96.1	Very high	96.2	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-60.6	-32	178	-69.8	0	0	0	0	111.9	Q48 L338 V339 L340 D341 F352 L375 P376	V44-Q48 VanDerWaalsContact O-CB 3.28Å; V44-Q48 WeakPolarHBondContact O-CB 3.29Å; V44-Q48 PolarHBondContact O-N 2.98Å; V44-L338 HydrophobicContact CG1-CB 4.24Å; V44-V339 WeakPolarHBondContact CG1-O 3.39Å; V44-V339 PolarHBondContact N-O 3.33Å; V44-L340 HydrophobicContact CG2-CD2 4.34Å; V44-D341 WeakPolarHBondContact CG2-OD2 3.41Å; V44-F352 HydrophobicContact CB-CB 4.16Å; V44-F352 HydrophobicContact CG1-CB 3.89Å; V44-F352 HydrophobicContact CG2-CB 3.98Å; V44-F352 HydrophobicContact CG2-CD2 4.23Å; V44-L375 HydrophobicContact CB-CD2 4.05Å; V44-L375 HydrophobicContact CG1-CD2 4.18Å; V44-P376 HydrophobicContact CG2-CG 4.38Å
45	S	95.8	Very high	96.5	Very high	26 Å²	26	14 Å²	14	18%	0.182	7%	0.069	C	C	.	.	H	α-helix	trans	-70.9	-41.9	173.9	-68.5	0	0	0	0	112.9	T43 Y47 Q48 Y49 D341 R584	T43-S45 PolarHBondContact O-N 3.09Å; S45-Y47 VanDerWaalsContact C-N 3.34Å; S45-Q48 PolarHBondContact O-N 2.9Å; S45-Y49 WeakPolarHBondContact O-CB 3.36Å; S45-Y49 PolarHBondContact O-N 3.28Å; S45-D341 VanDerWaalsContact CB-OD1 3.23Å; S45-D341 WeakPolarHBondContact CB-OD1 3.46Å; S45-D341 VanDerWaalsContact CB-OD2 3.31Å; S45-D341 WeakPolarHBondContact CB-OD2 3.28Å; S45-D341 PolarHBondContact N-OD2 2.95Å; S45-D341 VanDerWaalsContact OG-CG 3.23Å; S45-D341 PolarHBondContact OG-OD1 3.07Å; S45-D341 PolarHBondContact OG-OD2 3.34Å; S45-R584 VanDerWaalsContact C-NH1 3.33Å; S45-R584 PolarHBondContact O-NH1 2.91Å
46	D	97.4	Very high	96.7	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-66.3	-39.3	175.3	-71.6	-29.8	0	0	0	111.1	S8 L42 T43 Y49 M50 R584 H589 F590	S8-D46 WeakPolarHBondContact CB-OD2 3.44Å; S8-D46 WeakPolarHBondContact OG-CB 3.24Å; S8-D46 PolarHBondContact OG-OD2 3.26Å; L42-D46 HydrophobicContact CD1-CB 4.12Å; T43-D46 PolarHBondContact O-N 3.02Å; T43-D46 WeakPolarHBondContact OG1-CB 3.34Å; T43-D46 PolarHBondContact OG1-N 2.96Å; T43-D46 PolarHBondContact OG1-OD2 2.99Å; D46-Y49 WeakPolarHBondContact O-CB 3.41Å; D46-Y49 PolarHBondContact O-N 2.82Å; D46-M50 WeakPolarHBondContact O-CB 3.45Å; D46-M50 VanDerWaalsContact O-CG 3.3Å; D46-M50 WeakPolarHBondContact O-CG 3.33Å; D46-M50 PolarHBondContact O-N 3.34Å; D46-R584 WeakPolarHBondContact OD1-CD 3.39Å; D46-R584 IonicContact OD1-CZ 3.18Å; D46-R584 IonicContact OD1-NH1 2.72Å; D46-R584 PolarHBondContact OD1-NH1 2.86Å; D46-H589 IonicContact OD1-CG 3.37Å; D46-H589 IonicContact OD1-ND1 3.72Å; D46-H589 PolarHBondContact OD1-ND1 2.92Å; D46-H589 IonicContact OD2-ND1 2.84Å; D46-F590 HydrophobicContact CB-CE1 3.84Å; D46-F590 HydrophobicContact CB-CZ 3.72Å
47	Y	98.2	Very high	96.8	Very high	1 Å²	1	13.9 Å²	13.9	0%	0.004	7%	0.068	C	C	.	.	H	α-helix	trans	-65.8	-42.6	174.8	-169.1	-132.7	0	0	0	111.9	L42 T43 S45 Y49 M50 I51 R57 L338 D373 L375	L42-Y47 HydrophobicContact CD2-CD2 3.49Å; L42-Y47 VanDerWaalsContact CD2-CD2 3.49Å; L42-Y47 HydrophobicContact CD2-CE2 4.35Å; L42-Y47 HydrophobicContact CD2-CG 3.76Å; T43-Y47 PolarHBondContact O-N 3.24Å; S45-Y47 VanDerWaalsContact C-N 3.34Å; Y47-Y49 PolarHBondContact O-N 3.24Å; Y47-M50 HydrophobicContact CD2-CB 4.37Å; Y47-M50 WeakPolarHBondContact O-CB 3.38Å; Y47-M50 PolarHBondContact O-N 2.93Å; Y47-M50 VanDerWaalsContact O-N 3.11Å; Y47-I51 HydrophobicContact CD1-CG2 4.2Å; Y47-I51 HydrophobicContact CD2-CG2 3.84Å; Y47-I51 HydrophobicContact CE1-CG2 3.76Å; Y47-I51 HydrophobicContact CE2-CG2 3.38Å; Y47-I51 HydrophobicContact CG-CG2 4.24Å; Y47-I51 WeakPolarHBondContact O-CG1 3.49Å; Y47-I51 WeakPolarHBondContact O-CG2 3.38Å; Y47-I51 PolarHBondContact O-N 3.33Å; Y47-R57 HydrophobicContact CE1-CG 4.37Å; Y47-R57 HydrophobicContact CE2-CB 4.08Å; Y47-R57 HydrophobicContact CE2-CG 4.24Å; Y47-R57 VanDerWaalsContact OH-CG 3.25Å; Y47-R57 WeakPolarHBondContact OH-CG 3.39Å; Y47-R57 PolarHBondContact OH-N 3.45Å; Y47-L338 HydrophobicContact CD1-CD1 4.11Å; Y47-L338 HydrophobicContact CD1-CD2 3.66Å; Y47-L338 HydrophobicContact CD1-CG 4.5Å; Y47-L338 HydrophobicContact CG-CD2 3.79Å; Y47-D373 WeakPolarHBondContact CE1-OD2 3.44Å; Y47-L375 HydrophobicContact CD1-CD1 3.65Å; Y47-L375 HydrophobicContact CD1-CD2 3.82Å; Y47-L375 HydrophobicContact CD1-CG 4.37Å; Y47-L375 HydrophobicContact CE1-CD1 4Å
48	Q	98	Very high	96.7	Very high	7 Å²	7	15.8 Å²	15.8	3%	0.033	8%	0.082	C	C	.	.	H	α-helix	trans	-54.6	-43.4	173.8	179.1	62	89.8	0	0	111.7	V44 S45 I51 D52 L375 R377 C378	V44-Q48 VanDerWaalsContact O-CB 3.28Å; V44-Q48 WeakPolarHBondContact O-CB 3.29Å; V44-Q48 PolarHBondContact O-N 2.98Å; S45-Q48 PolarHBondContact O-N 2.9Å; Q48-I51 VanDerWaalsContact O-CG1 3.23Å; Q48-I51 WeakPolarHBondContact O-CG1 3.44Å; Q48-D52 PolarHBondContact O-N 2.94Å; Q48-L375 HydrophobicContact CB-CB 4.37Å; Q48-R377 HydrophobicContact CG-CB 4.47Å; Q48-R377 HydrophobicContact CG-CG 4.38Å; Q48-C378 PolarHBondContact OE1-SG 3.49Å; Q48-C378 VanDerWaalsContact OE1-SG 3.33Å
49	Y	97.6	Very high	96.7	Very high	22 Å²	22	13.6 Å²	13.6	9%	0.086	7%	0.071	C	C	.	.	H	α-helix	trans	-68	-40.1	177.5	171.2	-87	0	0	0	111.9	S45 D46 Y47 R53 N494 L581 R584	S45-Y49 WeakPolarHBondContact O-CB 3.36Å; S45-Y49 PolarHBondContact O-N 3.28Å; D46-Y49 WeakPolarHBondContact O-CB 3.41Å; D46-Y49 PolarHBondContact O-N 2.82Å; Y47-Y49 PolarHBondContact O-N 3.24Å; Y49-R53 VanDerWaalsContact CE1-CD 3.49Å; Y49-R53 WeakPolarHBondContact O-CG 3.45Å; Y49-R53 PolarHBondContact O-N 3.38Å; Y49-N494 HydrophobicContact CE2-CB 4.01Å; Y49-L581 WeakPolarHBondContact CE1-O 3.41Å; Y49-L581 VanDerWaalsContact CZ-O 3.23Å; Y49-L581 PolarHBondContact OH-O 2.87Å; Y49-R584 HydrophobicContact CD1-CG 4.25Å; Y49-R584 HydrophobicContact CD2-CG 4.16Å; Y49-R584 HydrophobicContact CE1-CB 4.09Å; Y49-R584 HydrophobicContact CE1-CG 4.06Å; Y49-R584 HydrophobicContact CE2-CG 3.95Å; Y49-R584 HydrophobicContact CG-CG 4.3Å
50	M	98.3	Very high	96.7	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-63.7	-46.3	174.9	-77.6	176.1	57.3	0	0	112.5	M37 L42 D46 Y47 D52 R53 G54 W55 C62 L581 F590	M37-M50 HydrophobicContact CE-CE 3.31Å; M37-M50 HydrophobicContact CE-SD 4.04Å; L42-M50 HydrophobicContact CD1-SD 3.71Å; L42-M50 HydrophobicContact CD2-SD 4.32Å; D46-M50 WeakPolarHBondContact O-CB 3.45Å; D46-M50 VanDerWaalsContact O-CG 3.3Å; D46-M50 WeakPolarHBondContact O-CG 3.33Å; D46-M50 PolarHBondContact O-N 3.34Å; Y47-M50 HydrophobicContact CD2-CB 4.37Å; Y47-M50 WeakPolarHBondContact O-CB 3.38Å; Y47-M50 PolarHBondContact O-N 2.93Å; Y47-M50 VanDerWaalsContact O-N 3.11Å; M50-D52 PolarHBondContact O-N 2.97Å; M50-R53 CarbonylContact O-C 3.49Å; M50-R53 WeakPolarHBondContact O-CA 3.48Å; M50-R53 PolarHBondContact O-N 2.71Å; M50-G54 PolarHBondContact O-N 2.93Å; M50-W55 HydrophobicContact CB-CB 3.83Å; M50-W55 HydrophobicContact CB-CG 3.99Å; M50-W55 HydrophobicContact CE-CB 3.93Å; M50-W55 HydrophobicContact CE-CD2 3.94Å; M50-W55 HydrophobicContact CE-CE3 4.07Å; M50-W55 HydrophobicContact CE-CG 3.88Å; M50-W55 HydrophobicContact CG-CG 4.4Å; M50-W55 WeakPolarHBondContact O-CB 3.46Å; M50-W55 VanDerWaalsContact O-CD1 3.27Å; M50-W55 PolarHBondContact O-N 3.18Å; M50-W55 VanDerWaalsContact O-N 3.09Å; M50-C62 HydrophobicContact CE-CB 3.86Å; M50-L581 HydrophobicContact CG-CD2 3.88Å; M50-L581 HydrophobicContact SD-CD2 4.23Å; M50-F590 HydrophobicContact CG-CE1 4.23Å; M50-F590 HydrophobicContact CG-CZ 3.96Å; M50-F590 HydrophobicContact SD-CE1 3.75Å; M50-F590 HydrophobicContact SD-CZ 4.11Å
51	I	98.1	Very high	96.8	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-66.7	-27.4	-176.4	63.4	167.4	0	0	0	113.2	Y47 Q48 R53 G54 W55 R56 L375 Y433	Y47-I51 HydrophobicContact CD1-CG2 4.2Å; Y47-I51 HydrophobicContact CD2-CG2 3.84Å; Y47-I51 HydrophobicContact CE1-CG2 3.76Å; Y47-I51 HydrophobicContact CE2-CG2 3.38Å; Y47-I51 HydrophobicContact CG-CG2 4.24Å; Y47-I51 WeakPolarHBondContact O-CG1 3.49Å; Y47-I51 WeakPolarHBondContact O-CG2 3.38Å; Y47-I51 PolarHBondContact O-N 3.33Å; Q48-I51 VanDerWaalsContact O-CG1 3.23Å; Q48-I51 WeakPolarHBondContact O-CG1 3.44Å; I51-R53 VanDerWaalsContact C-N 3.28Å; I51-G54 PolarHBondContact O-N 3.2Å; I51-W55 WeakPolarHBondContact CA-O 3.27Å; I51-R56 PolarHBondContact O-NH1 2.91Å; I51-L375 HydrophobicContact CD1-CD1 3.4Å; I51-L375 HydrophobicContact CG1-CD1 4.34Å; I51-Y433 HydrophobicContact CD1-CD1 3.85Å; I51-Y433 HydrophobicContact CD1-CE1 3.87Å; I51-Y433 HydrophobicContact CG1-CD1 4.47Å; I51-Y433 HydrophobicContact CG1-CE1 4.16Å
52	D	97.5	Very high	96.9	Very high	25 Å²	25	11.8 Å²	11.8	13%	0.134	7%	0.065	C	C	.	.	H	α-helix	trans	-67.9	-31.5	170.1	-75	-4.9	0	0	0	112.3	Q48 M50 G54 R377 Y433	Q48-D52 PolarHBondContact O-N 2.94Å; M50-D52 PolarHBondContact O-N 2.97Å; D52-G54 PolarHBondContact O-N 3.35Å; D52-R377 IonicContact OD1-CZ 2.59Å; D52-R377 IonicContact OD1-NH2 3.68Å; D52-R377 PolarHBondContact OD1-NH2 3.28Å; D52-R377 IonicContact OD2-CZ 3.35Å; D52-R377 IonicContact OD2-NE 3.68Å; D52-R377 IonicContact OD2-NH1 3.72Å; D52-R377 PolarHBondContact OD2-NH1 3.09Å; D52-R377 IonicContact OD2-NH2 3.73Å; D52-R377 PolarHBondContact OD2-NH2 3.47Å; D52-Y433 PolarHBondContact OD1-OH 2.69Å
53	R	96.6	Very high	96.8	Very high	7 Å²	7	13.6 Å²	13.6	3%	0.026	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	17	176.8	-62.7	-178.9	71.7	76	-3.1	113.4	Y49 M50 I51 K64 Y461 D492 L580	Y49-R53 VanDerWaalsContact CE1-CD 3.49Å; Y49-R53 WeakPolarHBondContact O-CG 3.45Å; Y49-R53 PolarHBondContact O-N 3.38Å; M50-R53 CarbonylContact O-C 3.49Å; M50-R53 WeakPolarHBondContact O-CA 3.48Å; M50-R53 PolarHBondContact O-N 2.71Å; I51-R53 VanDerWaalsContact C-N 3.28Å; R53-K64 WeakPolarHBondContact O-CD 3.29Å; R53-K64 WeakPolarHBondContact O-CE 3.27Å; R53-Y461 VanDerWaalsContact C-CE1 3.47Å; R53-Y461 VanDerWaalsContact CA-CD1 3.43Å; R53-Y461 HydrophobicContact CB-CD1 4.18Å; R53-Y461 HydrophobicContact CB-CE1 4.07Å; R53-Y461 HydrophobicContact CB-CE2 4.47Å; R53-Y461 HydrophobicContact CB-CG 4.38Å; R53-Y461 HydrophobicContact CG-CD1 4.47Å; R53-Y461 HydrophobicContact CG-CD2 4.16Å; R53-Y461 HydrophobicContact CG-CE2 4.4Å; R53-Y461 HydrophobicContact CG-CG 4.18Å; R53-Y461 VanDerWaalsContact CZ-CE2 3.45Å; R53-Y461 VanDerWaalsContact NH1-CD2 3.31Å; R53-Y461 WeakPolarHBondContact O-CE1 3.44Å; R53-D492 IonicContact CZ-OD2 3.69Å; R53-D492 VanDerWaalsContact NH1-CG 3.27Å; R53-D492 IonicContact NH1-OD1 2.67Å; R53-D492 PolarHBondContact NH1-OD1 3.49Å; R53-D492 IonicContact NH1-OD2 2.68Å; R53-D492 PolarHBondContact NH1-OD2 3.28Å; R53-D492 IonicContact NH2-OD2 3.41Å; R53-D492 PolarHBondContact NH2-OD2 3.11Å; R53-L580 PolarHBondContact NE-O 2.94Å
54	G	96.7	Very high	96.8	Very high	12 Å²	12	15 Å²	15	12%	0.124	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.1	12.3	175.2	0	0	0	0	0	115.4	M50 I51 D52 T76 Y436	M50-G54 PolarHBondContact O-N 2.93Å; I51-G54 PolarHBondContact O-N 3.2Å; D52-G54 PolarHBondContact O-N 3.35Å; G54-T76 WeakPolarHBondContact CA-OG1 3.28Å; G54-Y436 PolarHBondContact O-OH 3.45Å
55	W	97.8	Very high	96.6	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.079	C	C	.	.			trans	-80.3	151.9	170.6	-67.1	85.4	0	0	0	111.6	W35 M37 M50 I51 C62 Y63 K64 W577 L580	W35-W55 HydrophobicContact CB-CH2 3.7Å; W35-W55 HydrophobicContact CB-CZ3 4.35Å; M37-W55 HydrophobicContact CE-CD2 4.45Å; M37-W55 HydrophobicContact CE-CE3 4.09Å; M37-W55 HydrophobicContact CE-CH2 4.44Å; M37-W55 HydrophobicContact CE-CZ3 4.1Å; M50-W55 HydrophobicContact CB-CB 3.83Å; M50-W55 HydrophobicContact CB-CG 3.99Å; M50-W55 HydrophobicContact CE-CB 3.93Å; M50-W55 HydrophobicContact CE-CD2 3.94Å; M50-W55 HydrophobicContact CE-CE3 4.07Å; M50-W55 HydrophobicContact CE-CG 3.88Å; M50-W55 HydrophobicContact CG-CG 4.4Å; M50-W55 WeakPolarHBondContact O-CB 3.46Å; M50-W55 VanDerWaalsContact O-CD1 3.27Å; M50-W55 PolarHBondContact O-N 3.18Å; M50-W55 VanDerWaalsContact O-N 3.09Å; I51-W55 WeakPolarHBondContact CA-O 3.27Å; W55-C62 HydrophobicContact CE3-CB 4.43Å; W55-Y63 CarbonylContact C-O 3.48Å; W55-Y63 WeakPolarHBondContact CA-O 3.22Å; W55-K64 HydrophobicContact CD2-CB 3.59Å; W55-K64 HydrophobicContact CD2-CD 4.32Å; W55-K64 HydrophobicContact CE3-CB 3.65Å; W55-K64 HydrophobicContact CG-CB 4.13Å; W55-K64 HydrophobicContact CG-CD 4.45Å; W55-K64 HydrophobicContact CH2-CB 3.67Å; W55-K64 HydrophobicContact CZ2-CB 3.75Å; W55-K64 HydrophobicContact CZ2-CD 3.99Å; W55-K64 HydrophobicContact CZ3-CB 3.68Å; W55-W577 HydrophobicContact CE3-CZ3 4.46Å; W55-W577 AromaticContact CH2-CE3 3.89Å; W55-W577 HydrophobicContact CH2-CE3 3.89Å; W55-W577 AromaticContact CH2-CH2 3.03Å; W55-W577 HydrophobicContact CH2-CH2 3.03Å; W55-W577 HydrophobicContact CH2-CZ2 4.02Å; W55-W577 AromaticContact CH2-CZ3 2.92Å; W55-W577 HydrophobicContact CH2-CZ3 2.92Å; W55-W577 HydrophobicContact CZ2-CE3 4.09Å; W55-W577 HydrophobicContact CZ2-CH2 4.01Å; W55-W577 AromaticContact CZ2-CZ3 3.43Å; W55-W577 HydrophobicContact CZ2-CZ3 3.43Å; W55-W577 VanDerWaalsContact CZ2-CZ3 3.43Å; W55-W577 AromaticContact CZ3-CH2 3.33Å; W55-W577 HydrophobicContact CZ3-CH2 3.33Å; W55-W577 HydrophobicContact CZ3-CZ2 4.47Å; W55-W577 AromaticContact CZ3-CZ3 3.5Å; W55-W577 HydrophobicContact CZ3-CZ3 3.5Å; W55-L580 HydrophobicContact CZ2-CB 3.97Å; W55-L580 HydrophobicContact CZ2-CD1 4.32Å
56	R	97.3	Very high	96.4	Very high	12 Å²	12	14.9 Å²	14.9	5%	0.045	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	172.1	166.9	-70	-63.8	179.3	-91.4	-1.2	109.9	I51 C62 Y63 T76 G435 Y436	I51-R56 PolarHBondContact O-NH1 2.91Å; R56-C62 CarbonylContact O-C 3.54Å; R56-C62 VanDerWaalsContact O-CA 3.25Å; R56-C62 WeakPolarHBondContact O-CA 3.3Å; R56-Y63 HydrophobicContact CB-CE1 4.01Å; R56-Y63 HydrophobicContact CB-CE2 4.14Å; R56-Y63 PolarHBondContact N-O 2.88Å; R56-Y63 PolarHBondContact O-N 2.92Å; R56-T76 PolarHBondContact NH1-OG1 3.09Å; R56-T76 PolarHBondContact NH2-OG1 3.14Å; R56-G435 PolarHBondContact NH2-O 3.27Å; R56-Y436 HydrophobicContact CB-CE2 4.07Å; R56-Y436 WeakPolarHBondContact CB-OH 3.16Å; R56-Y436 HydrophobicContact CG-CD2 4.32Å; R56-Y436 HydrophobicContact CG-CE1 3.93Å; R56-Y436 HydrophobicContact CG-CE2 3.49Å; R56-Y436 VanDerWaalsContact CG-CE2 3.49Å; R56-Y436 WeakPolarHBondContact CG-OH 3.46Å
57	R	96.9	Very high	96.1	Very high	12 Å²	12	15.6 Å²	15.6	5%	0.045	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	153.7	176.4	82.7	-172.1	-179	76.7	10	112	Y47 G59 Y61 S354 D373	Y47-R57 HydrophobicContact CE1-CG 4.37Å; Y47-R57 HydrophobicContact CE2-CB 4.08Å; Y47-R57 HydrophobicContact CE2-CG 4.24Å; Y47-R57 VanDerWaalsContact OH-CG 3.25Å; Y47-R57 WeakPolarHBondContact OH-CG 3.39Å; Y47-R57 PolarHBondContact OH-N 3.45Å; R57-G59 PolarHBondContact NH1-O 3.03Å; R57-Y61 CarbonylContact C-O 3.49Å; R57-Y61 WeakPolarHBondContact CA-O 3.21Å; R57-Y61 WeakPolarHBondContact CB-O 3.4Å; R57-S354 PolarHBondContact NH2-OG 2.66Å; R57-D373 IonicContact CZ-OD1 2.71Å; R57-D373 IonicContact CZ-OD2 3.69Å; R57-D373 VanDerWaalsContact CZ-OD2 3.27Å; R57-D373 IonicContact NE-OD1 2.73Å; R57-D373 IonicContact NE-OD2 3.21Å; R57-D373 PolarHBondContact NE-OD2 3.37Å; R57-D373 IonicContact NH2-OD1 3.15Å; R57-D373 PolarHBondContact NH2-OD1 3.48Å; R57-D373 IonicContact NH2-OD2 2.83Å; R57-D373 PolarHBondContact NH2-OD2 2.79Å
58	S	93.9	Very high	95.5	Very high	40 Å²	40	20.2 Å²	20.2	28%	0.28	10%	0.104	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	98.7	165.9	-61.9	0	0	0	0	106.8	T60 Y61	S58-T60 PolarHBondContact O-N 2.83Å; S58-Y61 PolarHBondContact N-O 2.89Å; S58-Y61 PolarHBondContact O-N 3.15Å; S58-Y61 VanDerWaalsContact O-N 3.17Å
59	G	95.3	Very high	94.9	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.01	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.5	-119.4	-165.6	0	0	0	0	0	112	R57 R331 F332 K335 P337	R57-G59 PolarHBondContact NH1-O 3.03Å; G59-R331 WeakPolarHBondContact CA-O 3.26Å; G59-F332 PolarHBondContact N-O 2.95Å; G59-K335 WeakPolarHBondContact CA-O 3.26Å; G59-P337 VanDerWaalsContact O-CD 3.31Å; G59-P337 WeakPolarHBondContact O-CD 3.14Å
60	T	96.2	Very high	94.3	Very high	32 Å²	32	24.2 Å²	24.2	20%	0.196	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-12.6	178.8	51.9	0	0	0	0	113.7	M38 A39 S58 P337	M38-T60 WeakPolarHBondContact SD-CB 3.41Å; M38-T60 PolarHBondContact SD-OG1 3.17Å; A39-T60 PolarHBondContact N-O 3.39Å; A39-T60 WeakPolarHBondContact O-CB 3.48Å; S58-T60 PolarHBondContact O-N 2.83Å; T60-P337 HydrophobicContact CG2-CB 4.27Å
61	Y	96.4	Very high	93.6	Very high	50 Å²	50	24.6 Å²	24.6	20%	0.196	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	121.2	177.1	172.8	-102.5	0	0	0	110.6	Y13 H16 R57 S58 Y63	Y13-Y61 HydrophobicContact CD2-CD2 4.42Å; Y13-Y61 HydrophobicContact CD2-CE2 4.18Å; Y13-Y61 HydrophobicContact CE2-CD2 4.24Å; Y13-Y61 HydrophobicContact CE2-CE2 4.44Å; H16-Y61 PolarHBondContact CE1-OH 2.91Å; H16-Y61 AromaticContact NE2-CZ 3.82Å; H16-Y61 PolarHBondContact NE2-OH 3.17Å; R57-Y61 CarbonylContact C-O 3.49Å; R57-Y61 WeakPolarHBondContact CA-O 3.21Å; R57-Y61 WeakPolarHBondContact CB-O 3.4Å; S58-Y61 PolarHBondContact N-O 2.89Å; S58-Y61 PolarHBondContact O-N 3.15Å; S58-Y61 VanDerWaalsContact O-N 3.17Å; Y61-Y63 AromaticContact CD1-CD1 3.82Å; Y61-Y63 HydrophobicContact CD1-CD1 3.82Å; Y61-Y63 AromaticContact CE1-CD1 3.59Å; Y61-Y63 HydrophobicContact CE1-CD1 3.59Å; Y61-Y63 AromaticContact CE1-CG 3.88Å; Y61-Y63 HydrophobicContact CE1-CG 3.88Å
62	C	97.4	Very high	93.1	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	139.8	175.7	-63.8	0	0	0	0	110.7	G36 M37 M50 W55 R56	G36-C62 CarbonylContact C-O 3.57Å; G36-C62 WeakPolarHBondContact CA-O 2.91Å; M37-C62 HydrophobicContact CE-CB 4.21Å; M37-C62 HydrophobicContact CG-CB 3.96Å; M37-C62 PolarHBondContact N-O 2.83Å; M37-C62 PolarHBondContact O-N 3.46Å; M50-C62 HydrophobicContact CE-CB 3.86Å; W55-C62 HydrophobicContact CE3-CB 4.43Å; R56-C62 CarbonylContact O-C 3.54Å; R56-C62 VanDerWaalsContact O-CA 3.25Å; R56-C62 WeakPolarHBondContact O-CA 3.3Å
63	Y	96.1	Very high	92.7	Very high	39 Å²	39	24.4 Å²	24.4	15%	0.153	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	149.6	-178	64	-83.3	0	0	0	113.6	W35 W55 R56 Y61 Y436	W35-Y63 CarbonylContact O-C 3.57Å; W35-Y63 WeakPolarHBondContact O-CA 3.43Å; W55-Y63 CarbonylContact C-O 3.48Å; W55-Y63 WeakPolarHBondContact CA-O 3.22Å; R56-Y63 HydrophobicContact CB-CE1 4.01Å; R56-Y63 HydrophobicContact CB-CE2 4.14Å; R56-Y63 PolarHBondContact N-O 2.88Å; R56-Y63 PolarHBondContact O-N 2.92Å; Y61-Y63 AromaticContact CD1-CD1 3.82Å; Y61-Y63 HydrophobicContact CD1-CD1 3.82Å; Y61-Y63 AromaticContact CE1-CD1 3.59Å; Y61-Y63 HydrophobicContact CE1-CD1 3.59Å; Y61-Y63 AromaticContact CE1-CG 3.88Å; Y61-Y63 HydrophobicContact CE1-CG 3.88Å; Y63-Y436 AromaticContact CE2-CE2 3.84Å; Y63-Y436 HydrophobicContact CE2-CE2 3.84Å
64	K	95.6	Very high	92.6	Very high	28 Å²	28	24.5 Å²	24.5	12%	0.122	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	120.5	173.4	178.6	171.6	-177.6	-69.2	0	109.7	N34 W35 R53 W55 Y461 L580	N34-K64 WeakPolarHBondContact CA-O 3.41Å; W35-K64 PolarHBondContact N-O 3.18Å; W35-K64 PolarHBondContact O-N 2.97Å; R53-K64 WeakPolarHBondContact O-CD 3.29Å; R53-K64 WeakPolarHBondContact O-CE 3.27Å; W55-K64 HydrophobicContact CD2-CB 3.59Å; W55-K64 HydrophobicContact CD2-CD 4.32Å; W55-K64 HydrophobicContact CE3-CB 3.65Å; W55-K64 HydrophobicContact CG-CB 4.13Å; W55-K64 HydrophobicContact CG-CD 4.45Å; W55-K64 HydrophobicContact CH2-CB 3.67Å; W55-K64 HydrophobicContact CZ2-CB 3.75Å; W55-K64 HydrophobicContact CZ2-CD 3.99Å; W55-K64 HydrophobicContact CZ3-CB 3.68Å; K64-Y461 VanDerWaalsContact CE-OH 3.3Å; K64-Y461 WeakPolarHBondContact CE-OH 3.49Å; K64-Y461 PolarHBondContact NZ-OH 2.95Å; K64-L580 HydrophobicContact CD-CD2 4.31Å
65	P	92.9	Very high	92.5	Very high	4 Å²	4	24.2 Å²	24.2	3%	0.026	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.1	137.9	175.4	-28	37	0	0	0	112.7	N34 N67 Y436	N34-P65 WeakPolarHBondContact OD1-CA 2.91Å; P65-N67 PolarHBondContact O-N 3.01Å; P65-Y436 WeakPolarHBondContact CD-OH 3.12Å; P65-Y436 HydrophobicContact CG-CE1 4.34Å; P65-Y436 HydrophobicContact CG-CE2 4.17Å
66	L	91.2	Very high	92.5	Very high	20 Å²	20	24.4 Å²	24.4	11%	0.105	13%	0.127	C	C	.	.			trans	-85	83.6	168.8	-81.9	162.8	0	0	0	108.5	P15 T33 W35 D68 I69 T70	P15-L66 HydrophobicContact CB-CD1 3.85Å; T33-L66 HydrophobicContact CG2-CD1 3.58Å; T33-L66 PolarHBondContact O-N 3.04Å; W35-L66 VanDerWaalsContact CD1-CD2 3.4Å; L66-D68 WeakPolarHBondContact CA-OD1 3.37Å; L66-D68 WeakPolarHBondContact CB-OD1 3.26Å; L66-D68 WeakPolarHBondContact CD2-OD1 3.47Å; L66-D68 PolarHBondContact O-N 3.21Å; L66-I69 PolarHBondContact O-N 3.13Å; L66-I69 VanDerWaalsContact O-N 3.09Å; L66-T70 WeakPolarHBondContact O-CB 3.43Å; L66-T70 WeakPolarHBondContact O-CG2 3.3Å; L66-T70 PolarHBondContact O-N 3.08Å
67	N	90	Very high	92.5	Very high	15 Å²	15	23.8 Å²	23.8	8%	0.08	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-14.9	-174.2	-78.5	-12.9	0	0	0	114.3	P65 P73 S74 I482	P65-N67 PolarHBondContact O-N 3.01Å; N67-P73 HydrophobicContact CB-CB 4.32Å; N67-P73 WeakPolarHBondContact OD1-CA 3.48Å; N67-S74 PolarHBondContact ND2-O 3.15Å; N67-S74 PolarHBondContact OD1-N 3.35Å; N67-I482 HydrophobicContact CB-CB 4.13Å; N67-I482 HydrophobicContact CB-CD1 3.87Å; N67-I482 HydrophobicContact CB-CG1 4.02Å
68	D	86	Confident	92.6	Very high	99 Å²	99	25.2 Å²	25.2	53%	0.529	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-25.3	173.7	56.4	-35.8	0	0	0	113.4	L66	L66-D68 WeakPolarHBondContact CA-OD1 3.37Å; L66-D68 WeakPolarHBondContact CB-OD1 3.26Å; L66-D68 WeakPolarHBondContact CD2-OD1 3.47Å; L66-D68 PolarHBondContact O-N 3.21Å
69	I	84.7	Confident	92.8	Very high	109 Å²	109	23.3 Å²	23.3	56%	0.559	12%	0.117	S	C	*	.	T	Hydrogen-bonded Turn	trans	-119.6	-29.9	-174.4	-57	162.3	0	0	0	111.7	L66	L66-I69 PolarHBondContact O-N 3.13Å; L66-I69 VanDerWaalsContact O-N 3.09Å
70	T	85.6	Confident	92.9	Very high	3 Å²	3	25 Å²	25	2%	0.018	13%	0.126	C	C	.	.	S	Bend	trans	-73.6	138.1	-178	-165.5	0	0	0	0	111.7	K32 L66 C72	K32-T70 WeakPolarHBondContact CA-OG1 3.29Å; L66-T70 WeakPolarHBondContact O-CB 3.43Å; L66-T70 WeakPolarHBondContact O-CG2 3.3Å; L66-T70 PolarHBondContact O-N 3.08Å; T70-C72 PolarHBondContact O-N 3.41Å; T70-C72 VanDerWaalsContact O-N 3.15Å
71	C	83.4	Confident	93	Very high	8 Å²	8	23.5 Å²	23.5	5%	0.054	12%	0.116	C	C	.	.	S	Bend	trans	-61.1	-22.2	178.9	55.1	0	0	0	0	114.9	C21 D30 I479 H480	C21-C71 WeakPolarHBondContact CB-SG 3.39Å; C21-C71 PolarHBondContact SG-SG 3.46Å; D30-C71 HydrophobicContact CB-CB 4.29Å; C71-I479 VanDerWaalsContact O-O 3.11Å; C71-H480 PolarHBondContact O-ND1 3.13Å; C71-H480 VanDerWaalsContact O-ND1 3.16Å
72	C	87.4	Confident	93	Very high	9 Å²	9	24.2 Å²	24.2	6%	0.061	12%	0.124	C	C	.	.	S	Bend	trans	-127.3	86.5	-178.7	-76	0	0	0	0	111.1	C21 Y23 T70 S74 I438	C21-C72 VanDerWaalsContact SG-SG 3.69Å; Y23-C72 HydrophobicContact CD2-CB 4.17Å; T70-C72 PolarHBondContact O-N 3.41Å; T70-C72 VanDerWaalsContact O-N 3.15Å; C72-S74 PolarHBondContact O-N 2.91Å; C72-S74 PolarHBondContact O-OG 3.37Å; C72-I438 HydrophobicContact CB-CG2 4.03Å
73	P	90.7	Very high	93	Very high	13 Å²	13	29.5 Å²	29.5	8%	0.084	15%	0.148	C	C	.	.			trans	-53.4	129.1	178.9	-28.2	35.7	0	0	0	112.1	N67 Y75	N67-P73 HydrophobicContact CB-CB 4.32Å; N67-P73 WeakPolarHBondContact OD1-CA 3.48Å; P73-Y75 HydrophobicContact CB-CE2 3.84Å
74	S	92.6	Very high	93	Very high	8 Å²	8	27.7 Å²	27.7	6%	0.056	14%	0.141	C	C	.	.			trans	-107.6	112.9	-175	-68.4	0	0	0	0	109.9	N67 C72	N67-S74 PolarHBondContact ND2-O 3.15Å; N67-S74 PolarHBondContact OD1-N 3.35Å; C72-S74 PolarHBondContact O-N 2.91Å; C72-S74 PolarHBondContact O-OG 3.37Å
75	Y	95.5	Very high	92.9	Very high	6 Å²	6	31.6 Å²	31.6	2%	0.024	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	127.9	-178.5	-57.8	-80.1	0	0	0	109.9	P73 I77 Y436 Y437 P458 L473 I483 F485	P73-Y75 HydrophobicContact CB-CE2 3.84Å; Y75-I77 PolarHBondContact O-N 3.02Å; Y75-Y436 CarbonylContact O-C 3.51Å; Y75-Y436 VanDerWaalsContact O-CA 3.3Å; Y75-Y436 WeakPolarHBondContact O-CA 3.22Å; Y75-Y437 PolarHBondContact N-O 3.49Å; Y75-Y437 PolarHBondContact O-N 3.24Å; Y75-P458 HydrophobicContact CD1-CB 4.3Å; Y75-P458 HydrophobicContact CD1-CG 4.22Å; Y75-P458 HydrophobicContact CE1-CB 4.25Å; Y75-P458 HydrophobicContact CE1-CG 3.84Å; Y75-L473 HydrophobicContact CE2-CD2 3.92Å; Y75-I483 PolarHBondContact OH-N 2.8Å; Y75-F485 AromaticContact CD1-CE2 3.43Å; Y75-F485 HydrophobicContact CD1-CE2 3.43Å; Y75-F485 VanDerWaalsContact CD1-CE2 3.43Å; Y75-F485 AromaticContact CD1-CZ 3.54Å; Y75-F485 HydrophobicContact CD1-CZ 3.54Å; Y75-F485 HydrophobicContact CD2-CZ 4.44Å; Y75-F485 HydrophobicContact CE1-CE1 4.39Å; Y75-F485 AromaticContact CE1-CE2 3.75Å; Y75-F485 HydrophobicContact CE1-CE2 3.75Å; Y75-F485 AromaticContact CE1-CZ 3.44Å; Y75-F485 HydrophobicContact CE1-CZ 3.44Å; Y75-F485 VanDerWaalsContact CE1-CZ 3.44Å; Y75-F485 HydrophobicContact CE2-CZ 4.38Å; Y75-F485 HydrophobicContact CG-CE2 4.03Å; Y75-F485 HydrophobicContact CG-CZ 4.04Å; Y75-F485 AromaticContact CZ-CZ 3.91Å
76	T	97.5	Very high	93.1	Very high	4 Å²	4	32.5 Å²	32.5	3%	0.025	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	129.7	176.6	-85.4	0	0	0	0	110.2	G54 R56 Y433 L455 A456 W463	G54-T76 WeakPolarHBondContact CA-OG1 3.28Å; R56-T76 PolarHBondContact NH1-OG1 3.09Å; R56-T76 PolarHBondContact NH2-OG1 3.14Å; T76-Y433 HydrophobicContact CG2-CE1 4.47Å; T76-L455 CarbonylContact O-C 3.39Å; T76-L455 VanDerWaalsContact O-CA 3.31Å; T76-L455 WeakPolarHBondContact O-CA 3.47Å; T76-A456 HydrophobicContact CG2-CB 4.05Å; T76-A456 PolarHBondContact O-N 2.67Å; T76-W463 HydrophobicContact CG2-CH2 3.3Å; T76-W463 HydrophobicContact CG2-CZ2 4.26Å; T76-W463 HydrophobicContact CG2-CZ3 3.76Å
77	I	98	Very high	93.2	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	137.7	-178.9	-174	167.7	0	0	0	111.7	Y75 M434 G435 Y437 K447 Y454 L455 I466	Y75-I77 PolarHBondContact O-N 3.02Å; I77-M434 HydrophobicContact CD1-CE 4.13Å; I77-M434 HydrophobicContact CG1-CE 4.05Å; I77-M434 HydrophobicContact CG2-CB 4.2Å; I77-M434 PolarHBondContact O-N 3.16Å; I77-G435 PolarHBondContact N-O 3.46Å; I77-Y437 HydrophobicContact CD1-CD2 4.39Å; I77-Y437 HydrophobicContact CD1-CG 4.49Å; I77-K447 HydrophobicContact CD1-CB 3.93Å; I77-K447 HydrophobicContact CG2-CB 4.44Å; I77-K447 HydrophobicContact CG2-CD 4.21Å; I77-Y454 WeakPolarHBondContact CA-O 3.19Å; I77-L455 HydrophobicContact CB-CD2 3.61Å; I77-L455 HydrophobicContact CD1-CD2 3.95Å; I77-L455 HydrophobicContact CG1-CD2 3.76Å; I77-I466 HydrophobicContact CD1-CD1 3.54Å; I77-I466 HydrophobicContact CG1-CD1 4.45Å
78	R	98.1	Very high	93.4	Very high	41 Å²	41	43.2 Å²	43.2	16%	0.155	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	154.5	169.2	73.7	-178.6	-178.4	167.4	5.9	111.6	Y432 Y433 A453 Y454 W463	R78-Y432 CarbonylContact C-O 3.47Å; R78-Y432 WeakPolarHBondContact CA-O 3.4Å; R78-Y433 HydrophobicContact CB-CD1 4.44Å; R78-Y433 HydrophobicContact CB-CD2 3.59Å; R78-Y433 HydrophobicContact CB-CE2 3.65Å; R78-Y433 HydrophobicContact CB-CG 4.01Å; R78-Y433 HydrophobicContact CG-CE2 4.26Å; R78-A453 CarbonylContact O-C 3.41Å; R78-A453 VanDerWaalsContact O-CA 3.28Å; R78-A453 WeakPolarHBondContact O-CA 3.47Å; R78-Y454 PolarHBondContact N-O 3.37Å; R78-Y454 VanDerWaalsContact N-O 3.09Å; R78-Y454 PolarHBondContact O-N 3.19Å; R78-W463 HydrophobicContact CB-CH2 4.1Å; R78-W463 HydrophobicContact CB-CZ3 4.01Å; R78-W463 HydrophobicContact CG-CD2 4.3Å; R78-W463 HydrophobicContact CG-CE3 3.74Å; R78-W463 HydrophobicContact CG-CH2 3.83Å; R78-W463 HydrophobicContact CG-CZ2 4.46Å; R78-W463 HydrophobicContact CG-CZ3 3.47Å; R78-W463 VanDerWaalsContact CG-CZ3 3.47Å; R78-W463 VanDerWaalsContact CZ-CD1 3.47Å; R78-W463 VanDerWaalsContact CZ-CG 3.47Å; R78-W463 VanDerWaalsContact NH2-CD1 3.28Å; R78-W463 VanDerWaalsContact NH2-CG 3.29Å
79	C	98.3	Very high	93.8	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	138	166	-177.6	0	0	0	0	108.6	A81 S431 Y432 M434 Y450 P452	C79-A81 PolarHBondContact O-N 3.33Å; C79-S431 WeakPolarHBondContact O-CA 3.28Å; C79-Y432 HydrophobicContact CB-CD1 4.29Å; C79-Y432 PolarHBondContact N-O 3.01Å; C79-Y432 PolarHBondContact O-N 3.03Å; C79-M434 HydrophobicContact CB-CE 4.3Å; C79-Y450 PolarHBondContact SG-O 2.86Å; C79-P452 WeakPolarHBondContact CA-O 2.99Å
80	D	98.2	Very high	94.3	Very high	37 Å²	37	36.6 Å²	36.6	20%	0.198	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	110.2	161.2	-179.2	-26.4	0	0	0	107.3	L82 Q83 F84 P452 Y454	D80-L82 PolarHBondContact OD1-N 3.14Å; D80-Q83 HydrophobicContact CB-CB 4.35Å; D80-Q83 PolarHBondContact OD1-N 3.43Å; D80-Q83 WeakPolarHBondContact OD2-CG 3.14Å; D80-F84 PolarHBondContact O-N 2.99Å; D80-P452 HydrophobicContact CB-CG 4.02Å; D80-P452 PolarHBondContact N-O 2.99Å; D80-Y454 HydrophobicContact CB-CE2 4.25Å
81	A	97.9	Very high	94.8	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.192	C	C	.	.	S	Bend	trans	-72.3	-36.1	-176.3	0	0	0	0	0	110.6	C79 Q83 F84 I404 V407 R408 N430	C79-A81 PolarHBondContact O-N 3.33Å; A81-Q83 VanDerWaalsContact C-N 3.32Å; A81-Q83 PolarHBondContact O-N 3.25Å; A81-F84 VanDerWaalsContact O-CB 3.31Å; A81-F84 WeakPolarHBondContact O-CB 3.42Å; A81-F84 PolarHBondContact O-N 3.03Å; A81-I404 HydrophobicContact CB-CG2 4.18Å; A81-V407 HydrophobicContact CB-CB 3.73Å; A81-V407 HydrophobicContact CB-CG1 3.47Å; A81-V407 VanDerWaalsContact CB-CG1 3.47Å; A81-V407 HydrophobicContact CB-CG2 4.44Å; A81-R408 PolarHBondContact O-NE 2.69Å; A81-R408 PolarHBondContact O-NH2 2.84Å; A81-N430 WeakPolarHBondContact CB-O 3.47Å; A81-N430 PolarHBondContact N-O 3.32Å
82	L	96.3	Very high	95.4	Very high	66 Å²	66	45.8 Å²	45.8	35%	0.346	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-37	-177.7	-55.5	-172	0	0	0	111.1	D80 R408 N430	D80-L82 PolarHBondContact OD1-N 3.14Å; L82-R408 HydrophobicContact CD2-CG 4.06Å; L82-R408 PolarHBondContact O-NH2 2.92Å; L82-N430 HydrophobicContact CD1-CB 3.61Å; L82-N430 HydrophobicContact CG-CB 3.83Å
83	Q	96.5	Very high	95.9	Very high	110 Å²	110	45.9 Å²	45.9	51%	0.514	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	10.8	176.6	-58.2	-56.5	-45.1	0	0	114.1	D80 A81 H85 P452	D80-Q83 HydrophobicContact CB-CB 4.35Å; D80-Q83 PolarHBondContact OD1-N 3.43Å; D80-Q83 WeakPolarHBondContact OD2-CG 3.14Å; A81-Q83 VanDerWaalsContact C-N 3.32Å; A81-Q83 PolarHBondContact O-N 3.25Å; Q83-H85 PolarHBondContact O-CE1 2.91Å; Q83-H85 PolarHBondContact O-ND1 3.13Å; Q83-P452 HydrophobicContact CB-CG 3.82Å; Q83-P452 WeakPolarHBondContact O-CD 3.44Å
84	F	97.6	Very high	96.2	Very high	2 Å²	2	45.3 Å²	45.3	1%	0.009	21%	0.211	C	C	.	.			trans	-60.1	138.6	-178.7	173.2	-105.4	0	0	0	114.2	D80 A81 L86 H90 I266 L401 I404 R408 Y450 T451	D80-F84 PolarHBondContact O-N 2.99Å; A81-F84 VanDerWaalsContact O-CB 3.31Å; A81-F84 WeakPolarHBondContact O-CB 3.42Å; A81-F84 PolarHBondContact O-N 3.03Å; F84-L86 HydrophobicContact CE1-CD2 3.82Å; F84-L86 HydrophobicContact CE1-CG 4.23Å; F84-L86 HydrophobicContact CZ-CD2 4.25Å; F84-H90 AromaticContact CZ-CE1 3.92Å; F84-H90 AromaticContact CZ-ND1 3.52Å; F84-I266 HydrophobicContact CE1-CD1 4.26Å; F84-L401 HydrophobicContact CE1-CD2 3.86Å; F84-L401 HydrophobicContact CZ-CD2 3.58Å; F84-I404 HydrophobicContact CB-CG2 3.87Å; F84-I404 HydrophobicContact CD1-CG2 3.74Å; F84-I404 HydrophobicContact CD2-CD1 3.97Å; F84-I404 HydrophobicContact CE1-CD1 4.43Å; F84-I404 HydrophobicContact CE1-CG2 4.38Å; F84-I404 HydrophobicContact CE2-CD1 3.89Å; F84-I404 HydrophobicContact CG-CD1 4.27Å; F84-I404 HydrophobicContact CG-CG2 3.8Å; F84-I404 HydrophobicContact CZ-CD1 4.11Å; F84-R408 VanDerWaalsContact N-NH2 3.13Å; F84-R408 PolarHBondContact O-NH2 3.46Å; F84-Y450 AromaticContact CE2-CD1 3.83Å; F84-Y450 HydrophobicContact CE2-CD1 3.83Å; F84-Y450 HydrophobicContact CE2-CG 4.44Å; F84-Y450 HydrophobicContact CZ-CD1 4.26Å; F84-T451 WeakPolarHBondContact CA-O 3.27Å
85	H	93.5	Very high	96.4	Very high	109 Å²	109	50.5 Å²	50.5	51%	0.505	23%	0.233	S	C	.	.			trans	-121.3	132.5	177.1	-62.4	83.5	0	0	0	113	Q83 K87 T451	Q83-H85 PolarHBondContact O-CE1 2.91Å; Q83-H85 PolarHBondContact O-ND1 3.13Å; H85-K87 PolarHBondContact O-N 2.95Å; H85-T451 PolarHBondContact N-O 2.93Å
86	L	95.9	Very high	96.4	Very high	23 Å²	23	51.3 Å²	51.3	12%	0.12	24%	0.237	C	C	.	.			trans	-71.6	120.2	177.5	-76.2	175.2	0	0	0	113.1	F84 H90 K91 L94 I266 F269 L401	F84-L86 HydrophobicContact CE1-CD2 3.82Å; F84-L86 HydrophobicContact CE1-CG 4.23Å; F84-L86 HydrophobicContact CZ-CD2 4.25Å; L86-H90 HydrophobicContact CD2-CB 3.62Å; L86-K91 HydrophobicContact CB-CG 4.1Å; L86-K91 HydrophobicContact CD1-CG 4.3Å; L86-L94 HydrophobicContact CD1-CD1 4.14Å; L86-L94 HydrophobicContact CD2-CD1 3.76Å; L86-I266 HydrophobicContact CD1-CB 4.31Å; L86-I266 HydrophobicContact CD2-CB 4.34Å; L86-I266 HydrophobicContact CG-CB 4.37Å; L86-F269 HydrophobicContact CD1-CD2 3.67Å; L86-F269 HydrophobicContact CD1-CE2 3.64Å; L86-L401 HydrophobicContact CD2-CD2 4.04Å
87	K	94.7	Very high	96.4	Very high	69 Å²	69	51.1 Å²	51.1	30%	0.3	24%	0.236	S	C	.	.			trans	-81.9	166.2	168.2	-65.7	-174.5	178.9	174.4	0	111.9	H85 S89 H90 K91 H449	H85-K87 PolarHBondContact O-N 2.95Å; K87-S89 VanDerWaalsContact C-N 3.27Å; K87-S89 PolarHBondContact O-N 3.43Å; K87-H90 PolarHBondContact N-ND1 3.15Å; K87-H90 PolarHBondContact O-N 3.34Å; K87-K91 WeakPolarHBondContact O-CG 3.28Å; K87-K91 PolarHBondContact O-N 3.27Å; K87-H449 HydrophobicContact CD-CB 4.42Å; K87-H449 WeakPolarHBondContact CD-O 3.39Å; K87-H449 WeakPolarHBondContact CE-O 3.21Å; K87-H449 PolarHBondContact NZ-O 2.93Å
88	K	93.4	Very high	96.4	Very high	192 Å²	192	54.2 Å²	54.2	84%	0.835	25%	0.248	S	C	*	.	H	α-helix	trans	-56.7	-39.9	177.5	-69.8	-178.2	-179.4	176.7	0	112.2	K91 R92	K88-K91 PolarHBondContact O-N 3.31Å; K88-R92 PolarHBondContact O-N 2.91Å
89	S	93.4	Very high	96.3	Very high	63 Å²	63	54.8 Å²	54.8	44%	0.441	25%	0.254	S	S	.	.	H	α-helix	trans	-61.3	-47.3	175.3	48.6	0	0	0	0	112.2	K87 K91 R92 V93	K87-S89 VanDerWaalsContact C-N 3.27Å; K87-S89 PolarHBondContact O-N 3.43Å; S89-K91 PolarHBondContact O-N 2.74Å; S89-R92 WeakPolarHBondContact O-CB 3.33Å; S89-R92 PolarHBondContact O-N 3.47Å; S89-R92 VanDerWaalsContact O-N 3.12Å; S89-V93 PolarHBondContact O-N 2.86Å; S89-V93 VanDerWaalsContact O-N 3.16Å
90	H	96.6	Very high	96.3	Very high	5 Å²	5	55.3 Å²	55.3	2%	0.023	26%	0.257	C	S	.	.	H	α-helix	trans	-60.4	-45.1	177.3	-53.8	159.2	0	0	0	111.3	F84 L86 K87 R92 V93 L94 L401 H449	F84-H90 AromaticContact CZ-CE1 3.92Å; F84-H90 AromaticContact CZ-ND1 3.52Å; L86-H90 HydrophobicContact CD2-CB 3.62Å; K87-H90 PolarHBondContact N-ND1 3.15Å; K87-H90 PolarHBondContact O-N 3.34Å; H90-R92 VanDerWaalsContact C-N 3.26Å; H90-R92 PolarHBondContact O-N 3.34Å; H90-V93 PolarHBondContact O-N 3.2Å; H90-L94 WeakPolarHBondContact O-CG 3.48Å; H90-L94 PolarHBondContact O-N 3.38Å; H90-L401 HydrophobicContact CB-CD1 4.02Å; H90-L401 HydrophobicContact CB-CD2 4.01Å; H90-H449 PolarHBondContact CE1-O 3.1Å
91	K	96.1	Very high	96.3	Very high	65 Å²	65	53.6 Å²	53.6	28%	0.283	25%	0.247	S	C	.	.	H	α-helix	trans	-60.6	-34.3	176.4	-67.3	177.2	-176.3	-178.5	0	112.4	L86 K87 K88 S89 K95 F269	L86-K91 HydrophobicContact CB-CG 4.1Å; L86-K91 HydrophobicContact CD1-CG 4.3Å; K87-K91 WeakPolarHBondContact O-CG 3.28Å; K87-K91 PolarHBondContact O-N 3.27Å; K88-K91 PolarHBondContact O-N 3.31Å; S89-K91 PolarHBondContact O-N 2.74Å; K91-K95 WeakPolarHBondContact O-CB 3.38Å; K91-K95 VanDerWaalsContact O-CG 3.23Å; K91-K95 WeakPolarHBondContact O-CG 3.13Å; K91-K95 PolarHBondContact O-N 2.98Å; K91-F269 HydrophobicContact CB-CZ 4.36Å; K91-F269 HydrophobicContact CD-CZ 4.4Å; K91-F269 HydrophobicContact CG-CE2 4.21Å; K91-F269 HydrophobicContact CG-CZ 4.01Å
92	R	95.6	Very high	96.3	Very high	139 Å²	139	56.9 Å²	56.9	53%	0.525	26%	0.262	S	S	.	.	H	α-helix	trans	-65.9	-46	175.8	-177.6	-179.8	174.2	-161.7	-5.9	111.2	K88 S89 H90 K95 N96	K88-R92 PolarHBondContact O-N 2.91Å; S89-R92 WeakPolarHBondContact O-CB 3.33Å; S89-R92 PolarHBondContact O-N 3.47Å; S89-R92 VanDerWaalsContact O-N 3.12Å; H90-R92 VanDerWaalsContact C-N 3.26Å; H90-R92 PolarHBondContact O-N 3.34Å; R92-K95 PolarHBondContact O-N 3.1Å; R92-N96 WeakPolarHBondContact O-CB 3.03Å; R92-N96 VanDerWaalsContact O-CG 3.25Å; R92-N96 PolarHBondContact O-N 3.29Å; R92-N96 PolarHBondContact O-OD1 3.01Å
93	V	96.5	Very high	96.3	Very high	12 Å²	12	59 Å²	59	7%	0.073	27%	0.268	C	S	.	.	H	α-helix	trans	-59.6	-48.1	177.1	174.8	0	0	0	0	110.9	S89 H90 K95 N96 M97 H394 T397	S89-V93 PolarHBondContact O-N 2.86Å; S89-V93 VanDerWaalsContact O-N 3.16Å; H90-V93 PolarHBondContact O-N 3.2Å; V93-K95 PolarHBondContact O-N 3.06Å; V93-N96 PolarHBondContact O-N 3.15Å; V93-M97 PolarHBondContact O-N 3.35Å; V93-H394 HydrophobicContact CG1-CB 4.32Å; V93-H394 HydrophobicContact CG2-CB 4.03Å; V93-T397 HydrophobicContact CB-CG2 4.31Å; V93-T397 HydrophobicContact CG1-CG2 4.28Å; V93-T397 HydrophobicContact CG2-CG2 3.92Å
94	L	97.6	Very high	96.2	Very high	1 Å²	1	55 Å²	55	1%	0.005	26%	0.257	C	S	.	.	H	α-helix	trans	-61.3	-41	178	-67.5	166.9	0	0	0	112.7	L86 H90 M97 Y98 F269 L270 Y398 L401	L86-L94 HydrophobicContact CD1-CD1 4.14Å; L86-L94 HydrophobicContact CD2-CD1 3.76Å; H90-L94 WeakPolarHBondContact O-CG 3.48Å; H90-L94 PolarHBondContact O-N 3.38Å; L94-M97 PolarHBondContact O-N 3.45Å; L94-Y98 WeakPolarHBondContact O-CB 3.22Å; L94-Y98 PolarHBondContact O-N 2.96Å; L94-F269 HydrophobicContact CB-CB 4.09Å; L94-F269 HydrophobicContact CB-CD1 3.95Å; L94-F269 HydrophobicContact CB-CG 4.1Å; L94-F269 HydrophobicContact CD1-CB 3.87Å; L94-F269 HydrophobicContact CD1-CD1 4.46Å; L94-F269 HydrophobicContact CD1-CD2 4.03Å; L94-F269 HydrophobicContact CD1-CG 3.88Å; L94-F269 HydrophobicContact CD2-CB 4.41Å; L94-F269 HydrophobicContact CG-CB 4.35Å; L94-L270 HydrophobicContact CD2-CD2 3.75Å; L94-Y398 HydrophobicContact CD2-CD2 4.39Å; L94-Y398 HydrophobicContact CD2-CE2 4.36Å; L94-L401 HydrophobicContact CD1-CD1 4.18Å; L94-L401 HydrophobicContact CD2-CD1 4.07Å; L94-L401 HydrophobicContact CG-CD1 3.88Å
95	K	96.3	Very high	96	Very high	117 Å²	117	59.9 Å²	59.9	51%	0.509	28%	0.28	S	S	.	.	H	α-helix	trans	-66.9	-39.2	175.7	-76.1	177.8	177.6	-168.2	0	112.8	K91 R92 V93 Y98 N99 F269	K91-K95 WeakPolarHBondContact O-CB 3.38Å; K91-K95 VanDerWaalsContact O-CG 3.23Å; K91-K95 WeakPolarHBondContact O-CG 3.13Å; K91-K95 PolarHBondContact O-N 2.98Å; R92-K95 PolarHBondContact O-N 3.1Å; V93-K95 PolarHBondContact O-N 3.06Å; K95-Y98 PolarHBondContact O-N 2.71Å; K95-N99 WeakPolarHBondContact O-CB 3.44Å; K95-N99 VanDerWaalsContact O-CG 3.3Å; K95-N99 PolarHBondContact O-N 3.49Å; K95-F269 HydrophobicContact CG-CE1 4.13Å
96	N	96.4	Very high	95.7	Very high	22 Å²	22	59.3 Å²	59.3	12%	0.118	28%	0.28	C	S	.	.	H	α-helix	trans	-62	-46	176.1	-74.8	0	0	0	0	110.6	R92 V93 N99 F100 P107	R92-N96 WeakPolarHBondContact O-CB 3.03Å; R92-N96 VanDerWaalsContact O-CG 3.25Å; R92-N96 PolarHBondContact O-N 3.29Å; R92-N96 PolarHBondContact O-OD1 3.01Å; V93-N96 PolarHBondContact O-N 3.15Å; N96-N99 PolarHBondContact O-N 2.65Å; N96-F100 WeakPolarHBondContact O-CB 3.44Å; N96-F100 PolarHBondContact O-N 2.59Å; N96-P107 HydrophobicContact CB-CG 3.89Å
97	M	97.6	Very high	95	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-59.8	-50.4	174.3	-176.5	62.8	78.5	0	0	111.2	V93 L94 N99 F100 L101 L393 L395 Y398	V93-M97 PolarHBondContact O-N 3.35Å; L94-M97 PolarHBondContact O-N 3.45Å; M97-N99 PolarHBondContact O-N 2.85Å; M97-F100 PolarHBondContact O-N 3.29Å; M97-F100 HydrophobicContact SD-CD1 4.37Å; M97-L101 HydrophobicContact CG-CD1 3.84Å; M97-L101 HydrophobicContact CG-CG 4.19Å; M97-L101 WeakPolarHBondContact O-CG 3.28Å; M97-L101 PolarHBondContact O-N 3.46Å; M97-L101 HydrophobicContact SD-CD1 4.03Å; M97-L101 HydrophobicContact SD-CD2 4.25Å; M97-L101 HydrophobicContact SD-CG 3.94Å; M97-L393 HydrophobicContact CE-CB 4.14Å; M97-L393 HydrophobicContact CE-CD1 3.88Å; M97-L393 HydrophobicContact CE-CG 4.42Å; M97-L393 HydrophobicContact SD-CD1 4.03Å; M97-L393 HydrophobicContact SD-CD2 4.34Å; M97-L395 HydrophobicContact CE-CD2 3.78Å; M97-Y398 HydrophobicContact CB-CD2 4.08Å; M97-Y398 HydrophobicContact CB-CE2 3.89Å; M97-Y398 HydrophobicContact CE-CD1 3.63Å; M97-Y398 HydrophobicContact CE-CD2 3.93Å; M97-Y398 HydrophobicContact CE-CE1 3.68Å; M97-Y398 HydrophobicContact CE-CE2 3.99Å; M97-Y398 HydrophobicContact CE-CG 3.75Å; M97-Y398 HydrophobicContact CG-CD2 4.09Å; M97-Y398 HydrophobicContact CG-CE2 3.54Å
98	Y	97.4	Very high	93.8	Very high	66 Å²	66	65.3 Å²	65.3	26%	0.259	31%	0.311	S	S	.	.	H	α-helix	trans	-55.8	-47	178	169.7	-94.2	0	0	0	112.6	L94 K95 F100 L101 K102 F103 S272	L94-Y98 WeakPolarHBondContact O-CB 3.22Å; L94-Y98 PolarHBondContact O-N 2.96Å; K95-Y98 PolarHBondContact O-N 2.71Å; Y98-F100 PolarHBondContact O-N 3.11Å; Y98-L101 PolarHBondContact O-N 3.07Å; Y98-K102 HydrophobicContact CE1-CB 4.35Å; Y98-K102 HydrophobicContact CE2-CB 4.26Å; Y98-K102 HydrophobicContact CE2-CG 4.48Å; Y98-K102 WeakPolarHBondContact O-CB 3.44Å; Y98-K102 PolarHBondContact O-N 2.91Å; Y98-F103 HydrophobicContact CE1-CE2 4.06Å; Y98-S272 WeakPolarHBondContact CD2-O 2.91Å; Y98-S272 WeakPolarHBondContact CE2-O 2.95Å
99	N	97.3	Very high	92	Very high	52 Å²	52	64.5 Å²	64.5	28%	0.278	30%	0.303	S	S	.	.	H	α-helix	trans	-66.5	-37.7	-179.7	-73.5	-11.3	0	0	0	112.3	K95 N96 M97 F103 G104 Q105	K95-N99 WeakPolarHBondContact O-CB 3.44Å; K95-N99 VanDerWaalsContact O-CG 3.3Å; K95-N99 PolarHBondContact O-N 3.49Å; N96-N99 PolarHBondContact O-N 2.65Å; M97-N99 PolarHBondContact O-N 2.85Å; N99-F103 HydrophobicContact CB-CD2 4.44Å; N99-F103 WeakPolarHBondContact O-CA 3.38Å; N99-F103 WeakPolarHBondContact O-CB 3.23Å; N99-F103 PolarHBondContact O-N 3.22Å; N99-G104 PolarHBondContact O-N 3.49Å; N99-Q105 HydrophobicContact CB-CB 4.3Å; N99-Q105 PolarHBondContact O-N 3.26Å
100	F	98	Very high	89.7	Confident	12 Å²	12	70.1 Å²	70.1	5%	0.053	32%	0.32	C	S	.	.	H	α-helix	trans	-62.8	-50	173.7	172.7	-107	0	0	0	110.9	N96 M97 Y98 G104 Q105 L106 H281 L361 Y390 F392 L393	N96-F100 WeakPolarHBondContact O-CB 3.44Å; N96-F100 PolarHBondContact O-N 2.59Å; M97-F100 PolarHBondContact O-N 3.29Å; M97-F100 HydrophobicContact SD-CD1 4.37Å; Y98-F100 PolarHBondContact O-N 3.11Å; F100-G104 WeakPolarHBondContact O-CA 3.47Å; F100-G104 PolarHBondContact O-N 2.79Å; F100-Q105 WeakPolarHBondContact CA-O 3.42Å; F100-L106 HydrophobicContact CD2-CD2 4.21Å; F100-L106 HydrophobicContact CE2-CD2 4.33Å; F100-H281 AromaticContact CZ-CD2 3.99Å; F100-L361 HydrophobicContact CE1-CD1 3.76Å; F100-L361 HydrophobicContact CE1-CD2 4.2Å; F100-L361 HydrophobicContact CZ-CD1 4.38Å; F100-L361 HydrophobicContact CZ-CD2 4.1Å; F100-Y390 HydrophobicContact CZ-CD1 4.36Å; F100-Y390 HydrophobicContact CZ-CE1 4.12Å; F100-F392 AromaticContact CD2-CE2 3.83Å; F100-F392 HydrophobicContact CD2-CE2 3.83Å; F100-F392 HydrophobicContact CD2-CZ 4.13Å; F100-F392 HydrophobicContact CE2-CE2 4.04Å; F100-F392 AromaticContact CE2-CZ 3.85Å; F100-F392 HydrophobicContact CE2-CZ 3.85Å; F100-F392 HydrophobicContact CG-CE2 4.28Å; F100-F392 HydrophobicContact CZ-CZ 4.3Å; F100-L393 HydrophobicContact CB-CD2 3.72Å; F100-L393 HydrophobicContact CD1-CD1 3.74Å; F100-L393 HydrophobicContact CD1-CD2 3.93Å; F100-L393 HydrophobicContact CD1-CG 4.46Å; F100-L393 HydrophobicContact CE1-CD1 3.86Å; F100-L393 HydrophobicContact CG-CD1 4.35Å; F100-L393 HydrophobicContact CG-CD2 3.8Å
101	L	98	Very high	86.5	Confident	0 Å²	0	78.7 Å²	78.7	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-65.5	-46.3	179.6	-63.3	178.1	0	0	0	112	M97 Y98 E273 P274 K280 H281 I283 L361	M97-L101 HydrophobicContact CG-CD1 3.84Å; M97-L101 HydrophobicContact CG-CG 4.19Å; M97-L101 WeakPolarHBondContact O-CG 3.28Å; M97-L101 PolarHBondContact O-N 3.46Å; M97-L101 HydrophobicContact SD-CD1 4.03Å; M97-L101 HydrophobicContact SD-CD2 4.25Å; M97-L101 HydrophobicContact SD-CG 3.94Å; Y98-L101 PolarHBondContact O-N 3.07Å; L101-E273 HydrophobicContact CD1-CB 4.13Å; L101-E273 HydrophobicContact CD1-CG 4.18Å; L101-P274 HydrophobicContact CB-CG 3.64Å; L101-K280 PolarHBondContact O-N 2.96Å; L101-H281 CarbonylContact C-O 3.57Å; L101-H281 HydrophobicContact CD2-CB 3.9Å; L101-H281 PolarHBondContact O-N 3.4Å; L101-I283 HydrophobicContact CD1-CB 4.11Å; L101-I283 HydrophobicContact CD1-CG2 3.82Å; L101-I283 HydrophobicContact CD2-CB 4.33Å; L101-L361 HydrophobicContact CD2-CD1 3.92Å
102	K	97.4	Very high	83.6	Confident	70 Å²	70	80.6 Å²	80.6	30%	0.304	38%	0.383	S	S	.	.	H	α-helix	trans	-72.6	-44.3	-175.4	-169.3	67.3	176.6	-178.3	0	112.5	Y98 P274 E278 K280	Y98-K102 HydrophobicContact CE1-CB 4.35Å; Y98-K102 HydrophobicContact CE2-CB 4.26Å; Y98-K102 HydrophobicContact CE2-CG 4.48Å; Y98-K102 WeakPolarHBondContact O-CB 3.44Å; Y98-K102 PolarHBondContact O-N 2.91Å; K102-P274 HydrophobicContact CD-CB 4.22Å; K102-P274 HydrophobicContact CD-CG 4.46Å; K102-E278 PolarHBondContact NZ-O 2.87Å; K102-K280 PolarHBondContact O-N 3.2Å; K102-K280 VanDerWaalsContact O-N 3.09Å
103	F	96.9	Very high	80.5	Confident	109 Å²	109	82.3 Å²	82.3	48%	0.478	40%	0.397	S	S	.	.	H	α-helix	trans	-120.8	-5	-166.9	-51.4	-63.6	0	0	0	114.4	Y98 N99 Q105	Y98-F103 HydrophobicContact CE1-CE2 4.06Å; N99-F103 HydrophobicContact CB-CD2 4.44Å; N99-F103 WeakPolarHBondContact O-CA 3.38Å; N99-F103 WeakPolarHBondContact O-CB 3.23Å; N99-F103 PolarHBondContact O-N 3.22Å; F103-Q105 HydrophobicContact CB-CB 4.37Å; F103-Q105 HydrophobicContact CB-CG 3.71Å; F103-Q105 PolarHBondContact O-N 3.36Å
104	G	94.6	Very high	77.6	Confident	28 Å²	28	87.3 Å²	87.3	29%	0.289	43%	0.43	S	S	.	.			trans	69.8	15.3	-170.7	0	0	0	0	0	113.4	N99 F100	N99-G104 PolarHBondContact O-N 3.49Å; F100-G104 WeakPolarHBondContact O-CA 3.47Å; F100-G104 PolarHBondContact O-N 2.79Å
105	Q	92	Very high	74.3	Confident	103 Å²	103	96.7 Å²	96.7	48%	0.481	47%	0.47	S	S	.	.	P	Polyproline II helix	trans	-80.1	124.3	-174.3	-74.4	173.5	7	0	0	111.4	N99 F100 F103	N99-Q105 HydrophobicContact CB-CB 4.3Å; N99-Q105 PolarHBondContact O-N 3.26Å; F100-Q105 WeakPolarHBondContact CA-O 3.42Å; F103-Q105 HydrophobicContact CB-CB 4.37Å; F103-Q105 HydrophobicContact CB-CG 3.71Å; F103-Q105 PolarHBondContact O-N 3.36Å
106	L	87.8	Confident	71	Confident	98 Å²	98	100.5 Å²	100.5	51%	0.513	49%	0.49	S	S	.	.	P	Polyproline II helix	trans	-80.4	143	172.1	-59.3	175.2	0	0	0	110.4	F100 H108 F392	F100-L106 HydrophobicContact CD2-CD2 4.21Å; F100-L106 HydrophobicContact CE2-CD2 4.33Å; L106-H108 PolarHBondContact O-N 2.98Å; L106-F392 HydrophobicContact CD2-CD1 4.38Å; L106-F392 HydrophobicContact CD2-CD2 3.78Å; L106-F392 HydrophobicContact CD2-CE1 3.92Å; L106-F392 HydrophobicContact CD2-CE2 3.24Å; L106-F392 HydrophobicContact CD2-CG 4.32Å; L106-F392 HydrophobicContact CD2-CZ 3.34Å
107	P	80.7	Confident	68	Low	34 Å²	34	103.7 Å²	103.7	22%	0.221	51%	0.507	C	S	.	.	P	Polyproline II helix	trans	-58.3	134.8	175.3	-25.6	36.8	0	0	0	111.7	N96 R109 F392	N96-P107 HydrophobicContact CB-CG 3.89Å; P107-R109 PolarHBondContact O-N 3.49Å; P107-F392 HydrophobicContact CG-CD2 4.29Å; P107-F392 WeakPolarHBondContact CG-O 3.46Å
108	H	71.1	Confident	65	Low	184 Å²	184	109.5 Å²	109.5	85%	0.852	55%	0.545	S	S	*	.	P	Polyproline II helix	trans	-58.8	126.3	178	-88.3	-43.6	0	0	0	112.1	L106 K110	L106-H108 PolarHBondContact O-N 2.98Å; H108-K110 PolarHBondContact O-N 3.39Å
109	R	55.8	Low	62.1	Low	174 Å²	174	112.4 Å²	112.4	66%	0.657	57%	0.565	S	S	*	*	P	Polyproline II helix	trans	-62.9	122.3	166.4	-113.8	177.4	176	175.5	-3.3	109.1	P107 M111 H126	P107-R109 PolarHBondContact O-N 3.49Å; R109-M111 PolarHBondContact O-N 3.43Å; R109-H126 WeakPolarHBondContact CG-NE2 3.24Å; R109-H126 PolarHBondContact NE-CD2 2.86Å; R109-H126 PolarHBondContact NE-NE2 2.88Å; R109-H126 PolarHBondContact NH2-CD2 2.73Å
110	K	43.6	Very low	58.8	Low	182 Å²	182	114.6 Å²	114.6	79%	0.791	58%	0.577	S	S	*	*			trans	-79.7	113.4	159.9	-75.2	-169.2	175.7	-170.4	0	106.9	H108 S112	H108-K110 PolarHBondContact O-N 3.39Å; K110-S112 VanDerWaalsContact C-N 3.31Å; K110-S112 PolarHBondContact O-N 3.32Å
111	M	29.8	Very low	55.7	Low	184 Å²	184	120.5 Å²	120.5	91%	0.906	61%	0.608	S	S	*	*			trans	-67.9	93.1	164.3	-68.8	-145.7	73.2	0	0	108.2	R109	R109-M111 PolarHBondContact O-N 3.43Å
112	S	36.1	Very low	52.5	Low	105 Å²	105	130 Å²	130	73%	0.734	64%	0.644	S	S	*	*			trans	-91.6	114.4	165.3	51.3	0	0	0	0	108.4	K110	K110-S112 VanDerWaalsContact C-N 3.31Å; K110-S112 PolarHBondContact O-N 3.32Å
113	H	30	Very low	49.4	Very low	175 Å²	175	132.9 Å²	132.9	81%	0.81	66%	0.661	S	S	*	*			trans	-51.2	137.2	167.7	-76.4	-79.2	0	0	0	110.1	K115	H113-K115 PolarHBondContact O-N 3.37Å
114	P	34.7	Very low	46.3	Very low	118 Å²	118	130.5 Å²	130.5	77%	0.766	65%	0.653	S	S	*	*			trans	-71.2	99	-177.8	29.1	-31.2	0	0	0	108.7
115	K	29	Very low	43.2	Very low	198 Å²	198	133.4 Å²	133.4	86%	0.861	66%	0.662	S	S	*	*			trans	-88.8	118.2	153.9	-72	-169.9	176.3	-174.1	0	106.3	H113 D117	H113-K115 PolarHBondContact O-N 3.37Å; K115-D117 VanDerWaalsContact C-N 3.32Å; K115-D117 PolarHBondContact O-N 3.43Å
116	E	27.6	Very low	40.2	Very low	196 Å²	196	131.8 Å²	131.8	92%	0.916	65%	0.654	S	S	*	*			trans	-62	92.4	173.4	-67.6	179	163.3	0	0	109
117	D	33.1	Very low	37.5	Very low	90 Å²	90	134.2 Å²	134.2	48%	0.481	66%	0.657	S	S	.	*			trans	-109.6	109.3	157.6	-176.9	-4.2	0	0	0	106.7	K115 N119 N120	K115-D117 VanDerWaalsContact C-N 3.32Å; K115-D117 PolarHBondContact O-N 3.43Å; D117-N119 PolarHBondContact O-N 2.88Å; D117-N119 WeakPolarHBondContact OD1-CB 3.42Å; D117-N119 PolarHBondContact OD1-N 3.34Å; D117-N120 PolarHBondContact O-N 2.83Å
118	P	35	Very low	35	Very low	122 Å²	122	139.5 Å²	139.5	79%	0.792	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.4	-8.4	-178.1	25.9	-31.5	0	0	0	112.6	N120	P118-N120 VanDerWaalsContact C-N 3.29Å; P118-N120 PolarHBondContact O-N 2.9Å
119	N	35.3	Very low	32.8	Very low	126 Å²	126	137.5 Å²	137.5	67%	0.674	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.8	3.6	175.4	-69.9	-44.6	0	0	0	114.5	D117 R442	D117-N119 PolarHBondContact O-N 2.88Å; D117-N119 WeakPolarHBondContact OD1-CB 3.42Å; D117-N119 PolarHBondContact OD1-N 3.34Å; N119-R442 PolarHBondContact O-NH1 2.93Å
120	N	29.1	Very low	31.4	Very low	99 Å²	99	134.6 Å²	134.6	53%	0.529	67%	0.672	S	S	.	*			trans	-105	63.6	178.7	-108.1	-12.9	0	0	0	113.9	D117 P118 R122 R442	D117-N120 PolarHBondContact O-N 2.83Å; P118-N120 VanDerWaalsContact C-N 3.29Å; P118-N120 PolarHBondContact O-N 2.9Å; N120-R122 VanDerWaalsContact C-N 3.31Å; N120-R122 WeakPolarHBondContact O-CG 3.29Å; N120-R122 PolarHBondContact O-N 2.84Å; N120-R442 PolarHBondContact OD1-NH1 3.37Å; N120-R442 PolarHBondContact OD1-NH2 3.26Å
121	L	31.1	Very low	30.6	Very low	135 Å²	135	130 Å²	130	71%	0.707	66%	0.663	S	S	*	*			trans	-60	99	159.8	-103.6	141.6	0	0	0	108.7	I123	L121-I123 PolarHBondContact O-N 3.18Å
122	R	32	Very low	30.4	Very low	200 Å²	200	130.2 Å²	130.2	76%	0.755	66%	0.662	S	S	*	*			trans	-50.9	121.5	-167.1	-62.2	177.5	179	165.7	-0.9	111.6	N120 D124 D125	N120-R122 VanDerWaalsContact C-N 3.31Å; N120-R122 WeakPolarHBondContact O-CG 3.29Å; N120-R122 PolarHBondContact O-N 2.84Å; R122-D124 PolarHBondContact O-N 2.72Å; R122-D125 HydrophobicContact CB-CB 4.46Å
123	I	31.7	Very low	30	Very low	130 Å²	130	134.2 Å²	134.2	67%	0.667	67%	0.669	S	S	*	*	S	Bend	trans	-73.6	118.3	161	-63.7	169	0	0	0	105.5	L121	L121-I123 PolarHBondContact O-N 3.18Å
124	D	32.3	Very low	29.9	Very low	59 Å²	59	135.1 Å²	135.1	32%	0.316	67%	0.67	S	S	.	*	S	Bend	trans	37.1	85.2	171.6	-67.4	-25.3	0	0	0	115.4	R122 Y386 H394	R122-D124 PolarHBondContact O-N 2.72Å; D124-Y386 PolarHBondContact OD1-OH 3.03Å; D124-H394 IonicContact OD2-ND1 3.84Å; D124-H394 PolarHBondContact OD2-ND1 2.91Å
125	D	29.2	Very low	29.5	Very low	89 Å²	89	133.9 Å²	133.9	48%	0.476	67%	0.67	S	S	.	*			trans	-129.1	106.6	169.4	-151.1	41.2	0	0	0	113	R122	R122-D125 HydrophobicContact CB-CB 4.46Å
126	H	29.7	Very low	29.5	Very low	69 Å²	69	128.2 Å²	128.2	32%	0.319	65%	0.654	S	S	.	*			trans	45.4	108.1	146.7	-60.3	-41.5	0	0	0	120.6	R109	R109-H126 WeakPolarHBondContact CG-NE2 3.24Å; R109-H126 PolarHBondContact NE-CD2 2.86Å; R109-H126 PolarHBondContact NE-NE2 2.88Å; R109-H126 PolarHBondContact NH2-CD2 2.73Å
127	R	29.7	Very low	29.4	Very low	150 Å²	150	123.4 Å²	123.4	57%	0.566	64%	0.64	S	S	*	*			trans	-144.3	117.3	149.4	-64.2	-174.1	-125.6	167.5	14.6	112.9	H315	R127-H315 PolarHBondContact NH2-O 2.95Å
128	I	28.6	Very low	29	Very low	145 Å²	145	124.8 Å²	124.8	74%	0.744	65%	0.651	S	S	*	*			trans	53.7	126.4	146.5	-49	176.7	0	0	0	119.2	N389	I128-N389 PolarHBondContact O-OD1 2.99Å
129	F	26.4	Very low	28.6	Very low	141 Å²	141	125.6 Å²	125.6	62%	0.618	65%	0.648	S	S	*	*			trans	-105.3	129	-176.9	-168.5	-94.4	0	0	0	109.9
130	V	26.3	Very low	28.4	Very low	113 Å²	113	122.4 Å²	122.4	69%	0.685	64%	0.636	S	S	*	*			trans	-130.8	118.1	159.4	-177	0	0	0	0	107.9
131	S	25.3	Very low	28.4	Very low	85 Å²	85	125.2 Å²	125.2	59%	0.594	64%	0.643	S	S	*	*			trans	-85.5	126.7	177.6	40.2	0	0	0	0	110.5
132	E	27	Very low	28.5	Very low	190 Å²	190	126.6 Å²	126.6	89%	0.888	64%	0.644	S	S	*	*			trans	-129.2	125.6	159.2	-78.3	-172.1	166.3	0	0	109.1
133	E	26.9	Very low	28.8	Very low	188 Å²	188	120.5 Å²	120.5	88%	0.879	63%	0.626	S	S	*	*			trans	-90.7	125.2	-179.7	-65.1	179.3	157.5	0	0	109.9
134	K	27.1	Very low	29	Very low	194 Å²	194	115.6 Å²	115.6	84%	0.843	60%	0.602	S	S	*	*			trans	-143.2	150.8	153.9	-71.7	-165.3	178.4	176	0	109.1
135	A	26.6	Very low	29.1	Very low	93 Å²	93	117.4 Å²	117.4	77%	0.769	61%	0.611	S	S	*	*			trans	-105.6	157.4	-161.8	0	0	0	0	0	113.9	E364	A135-E364 VanDerWaalsContact O-OE1 3.1Å
136	P	29	Very low	29.5	Very low	78 Å²	78	114.5 Å²	114.5	51%	0.506	60%	0.599	S	S	.	*			trans	-104.9	153.4	-146.2	2.7	18.9	0	0	0	116.9	E364	P136-E364 WeakPolarHBondContact CA-OE1 3.27Å; P136-E364 HydrophobicContact CB-CG 3.75Å; P136-E364 VanDerWaalsContact CB-OE1 3.3Å; P136-E364 WeakPolarHBondContact CB-OE1 3.46Å; P136-E364 VanDerWaalsContact N-OE1 3.07Å
137	P	26.5	Very low	29.6	Very low	96 Å²	96	115.1 Å²	115.1	62%	0.623	61%	0.607	S	S	*	*			trans	-88.2	129.3	159.8	28	-18.5	0	0	0	113.1	K276	P137-K276 PolarHBondContact O-NZ 2.95Å
138	V	24.1	Very low	29.9	Very low	118 Å²	118	112.2 Å²	112.2	72%	0.715	60%	0.6	S	S	*	*			trans	-3.6	132.2	134.7	-170.4	0	0	0	0	114.9	K276	V138-K276 VanDerWaalsContact CA-NZ 3.29Å; V138-K276 VanDerWaalsContact N-NZ 3.19Å
139	L	26.2	Very low	30.1	Very low	139 Å²	139	109.3 Å²	109.3	73%	0.728	58%	0.584	S	S	*	*			cis	-161.4	159.3	26.1	-119.4	160.5	0	0	0	109.8
140	S	31.3	Very low	30.2	Very low	60 Å²	60	110.7 Å²	110.7	42%	0.42	60%	0.597	S	S	.	*			trans	-86.8	156.7	-176.2	63	0	0	0	0	115.3
141	F	29.3	Very low	30.5	Very low	158 Å²	158	114.2 Å²	114.2	69%	0.693	61%	0.606	S	S	*	*				-167.2	150.6	122.5	-110.4	-80.2	0	0	0	112
142	K	33.6	Very low	30.5	Very low	164 Å²	164	119 Å²	119	71%	0.713	62%	0.619	S	S	*	*	S	Bend	trans	-24.8	116.8	-171.9	-68.9	170.9	177.5	175	0	117.9
143	N	37.3	Very low	30.4	Very low	72 Å²	72	119.7 Å²	119.7	39%	0.385	62%	0.619	S	S	.	*	S	Bend	trans	28.3	99.4	153.1	-69.2	-45.3	0	0	0	116.5	R402	N143-R402 PolarHBondContact OD1-NH1 3.37Å
144	V	35.9	Very low	30.4	Very low	26 Å²	26	117.3 Å²	117.3	16%	0.158	62%	0.618	C	S	.	*			trans	70.3	77	172.7	-159.8	0	0	0	0	113.9	A146 I285 L287 Y406	V144-A146 PolarHBondContact O-N 3.28Å; V144-I285 WeakPolarHBondContact CA-O 3.37Å; V144-I285 HydrophobicContact CG2-CB 4.06Å; V144-I285 HydrophobicContact CG2-CG2 3.8Å; V144-I285 PolarHBondContact N-O 3.42Å; V144-L287 HydrophobicContact CG1-CB 3.66Å; V144-L287 HydrophobicContact CG1-CD2 4.35Å; V144-Y406 HydrophobicContact CB-CD2 4.46Å; V144-Y406 HydrophobicContact CB-CE2 4Å; V144-Y406 HydrophobicContact CG1-CD2 4.43Å; V144-Y406 HydrophobicContact CG1-CE2 3.71Å; V144-Y406 HydrophobicContact CG2-CD2 4.21Å; V144-Y406 HydrophobicContact CG2-CE2 4.24Å
145	I	35.2	Very low	30.3	Very low	98 Å²	98	117.2 Å²	117.2	50%	0.503	62%	0.617	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-77.5	114.8	158.9	-59.6	175.1	0	0	0	106.8	V147	I145-V147 HydrophobicContact CG2-CG2 4.45Å; I145-V147 PolarHBondContact O-N 3.32Å
146	A	36.6	Very low	30.3	Very low	27 Å²	27	120 Å²	120	22%	0.223	62%	0.619	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-70.2	108.7	158.4	0	0	0	0	0	106.2	V144 Q148 L287	V144-A146 PolarHBondContact O-N 3.28Å; A146-Q148 VanDerWaalsContact C-N 3.27Å; A146-Q148 HydrophobicContact CB-CG 4.23Å; A146-Q148 PolarHBondContact O-N 3.46Å; A146-L287 HydrophobicContact CB-CD2 4.48Å
147	V	32.1	Very low	30.1	Very low	83 Å²	83	124.5 Å²	124.5	50%	0.503	63%	0.634	S	S	.	*			trans	-69.4	92.8	171.8	179.6	0	0	0	0	106.3	I145	I145-V147 HydrophobicContact CG2-CG2 4.45Å; I145-V147 PolarHBondContact O-N 3.32Å
148	Q	35.8	Very low	29.9	Very low	88 Å²	88	126 Å²	126	41%	0.411	64%	0.641	S	S	.	*			trans	-96	128.5	173.5	-69.3	-177.4	-7.7	0	0	108.3	A146 S349	A146-Q148 VanDerWaalsContact C-N 3.27Å; A146-Q148 HydrophobicContact CB-CG 4.23Å; A146-Q148 PolarHBondContact O-N 3.46Å; Q148-S349 PolarHBondContact NE2-O 2.71Å
149	Q	34.3	Very low	29.8	Very low	85 Å²	85	126.8 Å²	126.8	40%	0.397	64%	0.641	S	S	.	*			trans	-81.3	135.5	-176.6	-68.2	169.5	-3.7	0	0	109.9	E151 T294 D295	Q149-E151 PolarHBondContact O-N 2.96Å; Q149-T294 PolarHBondContact NE2-OG1 3.07Å; Q149-T294 VanDerWaalsContact OE1-CB 3.27Å; Q149-T294 PolarHBondContact OE1-OG1 3.03Å; Q149-D295 VanDerWaalsContact NE2-N 3.12Å
150	N	27.6	Very low	29.7	Very low	169 Å²	169	127.3 Å²	127.3	90%	0.904	64%	0.643	S	S	*	*			trans	-66.1	114.6	171.9	-69.9	-36.4	0	0	0	109.1
151	E	32.1	Very low	29.3	Very low	187 Å²	187	133.8 Å²	133.8	87%	0.874	66%	0.66	S	S	*	*			trans	-78.4	130	164.8	-73.1	-177.1	164.8	0	0	109.6	Q149 K153	Q149-E151 PolarHBondContact O-N 2.96Å; E151-K153 PolarHBondContact O-N 3.08Å
152	E	26.7	Very low	28.9	Very low	187 Å²	187	134.5 Å²	134.5	87%	0.874	67%	0.665	S	S	*	*			trans	-63.1	127.2	177.6	-80	-178.2	142.3	0	0	111.2	T154	E152-T154 PolarHBondContact O-N 2.87Å
153	K	24.7	Very low	28.4	Very low	204 Å²	204	132.8 Å²	132.8	89%	0.887	67%	0.669	S	S	*	*			trans	-54	99.1	176.1	-67.7	172.8	176.8	174.5	0	111.7	E151	E151-K153 PolarHBondContact O-N 3.08Å
154	T	25.7	Very low	27.7	Very low	138 Å²	138	136.2 Å²	136.2	85%	0.847	69%	0.687	S	S	*	*			trans	-92	100.7	155.3	27	0	0	0	0	108.7	E152 N156	E152-T154 PolarHBondContact O-N 2.87Å; T154-N156 PolarHBondContact O-N 2.83Å
155	K	24.9	Very low	27.1	Very low	191 Å²	191	140.3 Å²	140.3	83%	0.83	72%	0.715	S	S	*	*			trans	-55.4	125.4	162.1	-68.5	172.9	176.8	176.6	0	107.4
156	N	27.1	Very low	26.6	Very low	152 Å²	152	145 Å²	145	81%	0.813	73%	0.733	S	S	*	*			trans	-163.6	108.3	145.1	-90.5	-22.9	0	0	0	111.6	T154	T154-N156 PolarHBondContact O-N 2.83Å
157	Q	24.4	Very low	26	Very low	173 Å²	173	148.7 Å²	148.7	81%	0.808	76%	0.757	S	S	*	*			trans	30.6	104	147.3	-72.8	170.3	-8.1	0	0	119.1	N159	Q157-N159 PolarHBondContact O-N 3.38Å
158	T	22.8	Very low	25.6	Very low	126 Å²	126	151.7 Å²	151.7	77%	0.773	77%	0.77	S	S	*	*			trans	-13.5	106.9	140.7	43.6	0	0	0	0	115.2
159	N	23.1	Very low	25	Very low	135 Å²	135	157.3 Å²	157.3	72%	0.722	79%	0.793	S	S	*	*			trans	-117	103.5	149.3	-88.9	-30.3	0	0	0	107.7	Q157 Y161	Q157-N159 PolarHBondContact O-N 3.38Å; N159-Y161 VanDerWaalsContact C-N 3.35Å; N159-Y161 HydrophobicContact CB-CD2 4.25Å; N159-Y161 HydrophobicContact CB-CE2 4.04Å; N159-Y161 PolarHBondContact O-N 3.46Å
160	I	23.2	Very low	24.5	Very low	150 Å²	150	159.7 Å²	159.7	77%	0.769	81%	0.813	S	S	*	*			trans	-66.4	93.3	175.6	-61.9	166.4	0	0	0	106.8	Q162	I160-Q162 HydrophobicContact CG2-CG 4.28Å
161	Y	22.6	Very low	24.3	Very low	197 Å²	197	156.5 Å²	156.5	77%	0.773	80%	0.804	S	S	*	*			trans	-90.8	98.6	160.7	-77.8	-79.1	0	0	0	107.2	N159 T163	N159-Y161 VanDerWaalsContact C-N 3.35Å; N159-Y161 HydrophobicContact CB-CD2 4.25Å; N159-Y161 HydrophobicContact CB-CE2 4.04Å; N159-Y161 PolarHBondContact O-N 3.46Å; Y161-T163 PolarHBondContact O-N 3.31Å
162	Q	21.7	Very low	23.7	Very low	173 Å²	173	153.6 Å²	153.6	81%	0.808	80%	0.804	S	S	*	*			trans	-57.1	103.9	163.9	-80.7	172.4	-45.2	0	0	107.9	I160 D164	I160-Q162 HydrophobicContact CG2-CG 4.28Å; Q162-D164 PolarHBondContact O-N 3.13Å
163	T	23.3	Very low	23.5	Very low	127 Å²	127	149.5 Å²	149.5	78%	0.779	80%	0.796	S	S	*	*			trans	-82.4	107.5	164.6	35.2	0	0	0	0	108	Y161 C165	Y161-T163 PolarHBondContact O-N 3.31Å; T163-C165 PolarHBondContact O-N 3.29Å
164	D	21.7	Very low	23.4	Very low	144 Å²	144	145.3 Å²	145.3	77%	0.77	79%	0.793	S	S	*	*			trans	-50.2	105.3	173	-73.2	-42.5	0	0	0	110.5	Q162 F166	Q162-D164 PolarHBondContact O-N 3.13Å; D164-F166 PolarHBondContact O-N 3.14Å
165	C	24.5	Very low	23.2	Very low	112 Å²	112	144.2 Å²	144.2	76%	0.757	79%	0.786	S	S	*	*			trans	-66.3	102.7	166.1	-74	0	0	0	0	107.7	T163 S167	T163-C165 PolarHBondContact O-N 3.29Å; C165-S167 VanDerWaalsContact C-N 3.35Å; C165-S167 PolarHBondContact O-N 2.97Å; C165-S167 PolarHBondContact O-OG 3.16Å
166	F	23.9	Very low	23.3	Very low	197 Å²	197	144.5 Å²	144.5	86%	0.864	79%	0.787	S	S	*	*			trans	-49.3	99.7	168	-90.6	-95.3	0	0	0	109.5	D164 D168	D164-F166 PolarHBondContact O-N 3.14Å; F166-D168 PolarHBondContact O-N 2.89Å
167	S	23	Very low	23.3	Very low	105 Å²	105	145 Å²	145	73%	0.734	79%	0.79	S	S	*	*			trans	-90.6	86.2	176.6	-64.8	0	0	0	0	108	C165 K169	C165-S167 VanDerWaalsContact C-N 3.35Å; C165-S167 PolarHBondContact O-N 2.97Å; C165-S167 PolarHBondContact O-OG 3.16Å; S167-K169 PolarHBondContact O-N 2.7Å; S167-K169 VanDerWaalsContact O-N 3.17Å
168	D	25.1	Very low	23.2	Very low	145 Å²	145	141.2 Å²	141.2	78%	0.775	79%	0.788	S	S	*	*			trans	-73.7	104.8	163.2	-81	-26	0	0	0	108.3	F166 V170	F166-D168 PolarHBondContact O-N 2.89Å; D168-V170 PolarHBondContact O-N 3.37Å
169	K	21.9	Very low	23.3	Very low	207 Å²	207	141.2 Å²	141.2	90%	0.9	79%	0.79	S	S	*	*			trans	-55	104.7	165.7	-72.7	176.7	176.4	175.6	0	108.9	S167	S167-K169 PolarHBondContact O-N 2.7Å; S167-K169 VanDerWaalsContact O-N 3.17Å
170	V	24.3	Very low	23.4	Very low	134 Å²	134	140.3 Å²	140.3	81%	0.812	80%	0.795	S	S	*	*			trans	-125.4	109.1	158.5	-174.9	0	0	0	0	108	D168	D168-V170 PolarHBondContact O-N 3.37Å
171	S	22.5	Very low	23.4	Very low	102 Å²	102	138.6 Å²	138.6	71%	0.713	79%	0.791	S	S	*	*			trans	-49	143.2	178.6	-54.2	0	0	0	0	112.4	S173	S171-S173 PolarHBondContact O-N 3.02Å; S171-S173 VanDerWaalsContact O-N 3.12Å
172	S	20.6	Very low	23.4	Very low	126 Å²	126	134.2 Å²	134.2	88%	0.881	79%	0.789	S	S	*	*			trans	-33.4	107.2	167.9	53.3	0	0	0	0	114.4
173	S	22.2	Very low	23.6	Very low	101 Å²	101	130.6 Å²	130.6	71%	0.706	77%	0.772	S	S	*	*			trans	-148.7	107.7	148.2	64.7	0	0	0	0	109.2	S171 T175	S171-S173 PolarHBondContact O-N 3.02Å; S171-S173 VanDerWaalsContact O-N 3.12Å; S173-T175 PolarHBondContact O-N 2.95Å
174	S	21.8	Very low	23.5	Very low	117 Å²	117	130.7 Å²	130.7	82%	0.818	77%	0.773	S	S	*	*			trans	-49.9	110.3	169.3	48.6	0	0	0	0	112.1
175	T	22.8	Very low	23.5	Very low	114 Å²	114	130.8 Å²	130.8	70%	0.699	77%	0.773	S	S	*	*			trans	-165.2	109.8	152.2	16.8	0	0	0	0	113.1	S173	S173-T175 PolarHBondContact O-N 2.95Å
176	K	25.8	Very low	23.4	Very low	197 Å²	197	133.3 Å²	133.3	86%	0.857	78%	0.779	S	S	*	*			trans	59.3	110.2	130.4	-62.6	-180	-178.3	178.5	0	120.2
177	N	27.3	Very low	23.4	Very low	164 Å²	164	129.6 Å²	129.6	88%	0.877	77%	0.772	S	S	*	*			trans	-13.5	142.6	149.6	-62.4	-24.5	0	0	0	118.2
178	A	23.6	Very low	23.7	Very low	92 Å²	92	130 Å²	130	76%	0.76	77%	0.772	S	S	*	*	S	Bend	trans	-28.3	151.4	178.7	0	0	0	0	0	119.3	S180	A178-S180 PolarHBondContact O-N 3.07Å
179	P	25.4	Very low	23.7	Very low	126 Å²	126	130.4 Å²	130.4	82%	0.818	78%	0.775	S	S	*	*			trans	-80.4	123.9	-155.2	32.4	-33	0	0	0	112.3
180	S	23.7	Very low	23.8	Very low	117 Å²	117	127.1 Å²	127.1	82%	0.818	77%	0.767	S	S	*	*			trans	-83.9	112.9	161.4	27.2	0	0	0	0	108	A178 S182	A178-S180 PolarHBondContact O-N 3.07Å; S180-S182 PolarHBondContact O-N 2.8Å
181	T	24.3	Very low	23.9	Very low	113 Å²	113	127.8 Å²	127.8	69%	0.693	77%	0.766	S	S	*	*			trans	-61.8	112.7	177.8	-13.1	0	0	0	0	109.7	H183	T181-H183 PolarHBondContact O-N 3.33Å; T181-H183 VanDerWaalsContact O-N 3.12Å
182	S	22.1	Very low	24.2	Very low	105 Å²	105	128.1 Å²	128.1	73%	0.734	76%	0.759	S	S	*	*			trans	-72.2	96.6	172.9	54.2	0	0	0	0	110	S180	S180-S182 PolarHBondContact O-N 2.8Å
183	H	25.6	Very low	24.6	Very low	97 Å²	97	129.4 Å²	129.4	45%	0.449	76%	0.756	S	S	.	*			trans	-105.6	104.4	161.5	-76.2	-45.1	0	0	0	108.9	T181 L185 S487 T489	T181-H183 PolarHBondContact O-N 3.33Å; T181-H183 VanDerWaalsContact O-N 3.12Å; H183-L185 PolarHBondContact O-N 3.39Å; H183-S487 PolarHBondContact NE2-OG 2.91Å; H183-T489 PolarHBondContact CE1-OG1 2.91Å
184	T	20.8	Very low	25.3	Very low	130 Å²	130	131.6 Å²	131.6	80%	0.798	76%	0.76	S	S	*	*			trans	-67.1	90.8	172.8	-34.1	0	0	0	0	108.8
185	L	22.6	Very low	25.9	Very low	146 Å²	146	133.4 Å²	133.4	76%	0.764	76%	0.761	S	S	*	*			trans	-121.6	116.9	161.2	-78.6	167.4	0	0	0	106.8	H183 T187	H183-L185 PolarHBondContact O-N 3.39Å; L185-T187 PolarHBondContact O-N 3.32Å; L185-T187 PolarHBondContact O-OG1 2.92Å
186	N	22.9	Very low	26.6	Very low	165 Å²	165	132.8 Å²	132.8	88%	0.882	76%	0.757	S	S	*	*			trans	-62	95.4	177.1	-73.1	-28.6	0	0	0	109.6
187	T	24.1	Very low	27	Very low	119 Å²	119	130.7 Å²	130.7	73%	0.73	75%	0.75	S	S	*	*			trans	-126.7	134.9	163.5	28.2	0	0	0	0	109	L185 N189	L185-T187 PolarHBondContact O-N 3.32Å; L185-T187 PolarHBondContact O-OG1 2.92Å; T187-N189 PolarHBondContact O-N 2.91Å
188	P	27.8	Very low	28.1	Very low	112 Å²	112	126.3 Å²	126.3	73%	0.727	72%	0.723	S	S	*	*			trans	-71.5	123.2	-165.7	27.3	-32.3	0	0	0	111.3	N190	P188-N190 PolarHBondContact O-N 3.43Å
189	N	25.6	Very low	28.9	Very low	155 Å²	155	128.5 Å²	128.5	83%	0.829	72%	0.718	S	S	*	*			trans	14.9	73.7	155.1	-77.5	-14.6	0	0	0	116.5	T187	T187-N189 PolarHBondContact O-N 2.91Å
190	N	24.4	Very low	29.9	Very low	138 Å²	138	127.2 Å²	127.2	74%	0.738	71%	0.712	S	S	*	*			trans	-105.2	64.4	162	-85.3	-17	0	0	0	109.6	P188 D192	P188-N190 PolarHBondContact O-N 3.43Å; N190-D192 VanDerWaalsContact C-N 3.26Å; N190-D192 PolarHBondContact O-N 3.2Å
191	N	26.9	Very low	30.9	Very low	148 Å²	148	126.8 Å²	126.8	79%	0.791	70%	0.699	S	S	*	*			trans	-82.6	81.1	157.4	-76.4	-10.2	0	0	0	107.4	D193	N191-D193 VanDerWaalsContact C-N 3.26Å; N191-D193 PolarHBondContact O-N 2.92Å
192	D	28.4	Very low	31.5	Very low	108 Å²	108	125 Å²	125	58%	0.578	69%	0.692	S	S	*	*			trans	-92	54.8	169.4	-92.2	-17.9	0	0	0	109.9	N190 K219	N190-D192 VanDerWaalsContact C-N 3.26Å; N190-D192 PolarHBondContact O-N 3.2Å; D192-K219 IonicContact OD1-NZ 2.72Å
193	D	29.4	Very low	32.6	Very low	153 Å²	153	125 Å²	125	82%	0.818	69%	0.692	S	S	*	*			trans	-100.5	113.2	160	-98.9	-31.8	0	0	0	108.9	N191 N195	N191-D193 VanDerWaalsContact C-N 3.26Å; N191-D193 PolarHBondContact O-N 2.92Å; D193-N195 PolarHBondContact O-N 2.91Å
194	N	36.8	Very low	32.9	Very low	147 Å²	147	125.4 Å²	125.4	79%	0.786	71%	0.705	S	S	*	*			trans	-70.5	20.8	-169.8	-80.8	-60.6	0	0	0	115.2
195	N	34.4	Very low	33.5	Very low	156 Å²	156	125.3 Å²	125.3	83%	0.834	70%	0.7	S	S	*	*			trans	-108.3	70.2	175.6	-80.5	-9.8	0	0	0	110	D193 E197	D193-N195 PolarHBondContact O-N 2.91Å; N195-E197 PolarHBondContact O-N 3.44Å; N195-E197 VanDerWaalsContact O-N 3.16Å
196	V	37.5	Very low	33.9	Very low	101 Å²	101	129.3 Å²	129.3	61%	0.612	71%	0.705	S	S	*	*			trans	-64.4	114.3	154.2	178.5	0	0	0	0	105.3	F198	V196-F198 HydrophobicContact CB-CE2 4.35Å; V196-F198 HydrophobicContact CB-CZ 4.4Å; V196-F198 WeakPolarHBondContact O-CD2 3.4Å; V196-F198 VanDerWaalsContact O-CE2 3.28Å; V196-F198 WeakPolarHBondContact O-CE2 3.01Å; V196-F198 PolarHBondContact O-N 3.43Å
197	E	34.4	Very low	34.4	Very low	152 Å²	152	129 Å²	129	71%	0.71	70%	0.701	S	S	*	*			trans	-59.6	103.8	176.8	-156.6	178.9	159.7	0	0	108.4	N195 Q199	N195-E197 PolarHBondContact O-N 3.44Å; N195-E197 VanDerWaalsContact O-N 3.16Å; E197-Q199 HydrophobicContact CG-CG 4.35Å; E197-Q199 PolarHBondContact O-N 3.39Å; E197-Q199 PolarHBondContact OE1-NE2 3.12Å
198	F	49	Very low	34.7	Very low	73 Å²	73	131.2 Å²	131.2	32%	0.32	70%	0.703	S	S	.	*			trans	-79.9	67	-172.9	-77.3	-80.8	0	0	0	110.5	V196 H221 W225	V196-F198 HydrophobicContact CB-CE2 4.35Å; V196-F198 HydrophobicContact CB-CZ 4.4Å; V196-F198 WeakPolarHBondContact O-CD2 3.4Å; V196-F198 VanDerWaalsContact O-CE2 3.28Å; V196-F198 WeakPolarHBondContact O-CE2 3.01Å; V196-F198 PolarHBondContact O-N 3.43Å; F198-H221 AromaticContact CZ-CE1 3.79Å; F198-W225 AromaticContact CD1-CD1 3.68Å; F198-W225 HydrophobicContact CD1-CD2 4.48Å; F198-W225 AromaticContact CD1-CE2 3.84Å; F198-W225 HydrophobicContact CD1-CG 4.35Å; F198-W225 HydrophobicContact CD1-CZ2 4.43Å; F198-W225 AromaticContact CD1-NE1 3.3Å; F198-W225 VanDerWaalsContact CD1-NE1 3.3Å; F198-W225 AromaticContact CE1-CD1 3.43Å; F198-W225 VanDerWaalsContact CE1-CD1 3.43Å; F198-W225 HydrophobicContact CE1-CD2 4.32Å; F198-W225 AromaticContact CE1-CG 3.87Å; F198-W225 HydrophobicContact CE1-CG 3.87Å; F198-W225 AromaticContact CE1-NE1 3.58Å
199	Q	42	Very low	35.1	Very low	137 Å²	137	131.8 Å²	131.8	64%	0.64	71%	0.71	S	S	*	*			trans	-79.2	153.7	170.4	-65.6	-171.4	5.9	0	0	110.9	E197 I201	E197-Q199 HydrophobicContact CG-CG 4.35Å; E197-Q199 PolarHBondContact O-N 3.39Å; E197-Q199 PolarHBondContact OE1-NE2 3.12Å; Q199-I201 PolarHBondContact O-N 3.38Å
200	S	45.9	Very low	35.4	Very low	99 Å²	99	128.8 Å²	128.8	69%	0.692	70%	0.701	S	S	*	*			trans	-61.6	124.6	177.8	47.1	0	0	0	0	110	S202	S200-S202 PolarHBondContact O-N 3.18Å; S200-S202 VanDerWaalsContact O-N 3.14Å
201	I	44.5	Very low	35.9	Very low	109 Å²	109	127.8 Å²	127.8	56%	0.559	71%	0.705	S	S	*	*			trans	-70.7	111.3	166.5	-59.3	171.8	0	0	0	106	Q199 L226	Q199-I201 PolarHBondContact O-N 3.38Å; I201-L226 HydrophobicContact CD1-CD2 4.48Å
202	S	35.7	Very low	36.5	Very low	76 Å²	76	126.2 Å²	126.2	53%	0.531	71%	0.705	S	S	.	*			trans	-60.5	139.6	178	70.1	0	0	0	0	110.1	S200 S204	S200-S202 PolarHBondContact O-N 3.18Å; S200-S202 VanDerWaalsContact O-N 3.14Å; S202-S204 PolarHBondContact O-N 2.84Å
203	S	45.7	Very low	36.9	Very low	105 Å²	105	131.7 Å²	131.7	73%	0.734	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.1	-7.1	-173.8	-36.1	0	0	0	0	114.6
204	S	32.4	Very low	37.6	Very low	104 Å²	104	127 Å²	127	73%	0.727	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.7	-13.5	-168.7	-53.6	0	0	0	0	114.3	S202 R206	S202-S204 PolarHBondContact O-N 2.84Å; S204-R206 VanDerWaalsContact C-N 3.25Å; S204-R206 PolarHBondContact O-N 3.32Å
205	N	32.7	Very low	38.2	Very low	129 Å²	129	124.1 Å²	124.1	69%	0.69	70%	0.699	S	S	*	*			trans	-85.9	74.5	169.7	-74.8	-6.5	0	0	0	109.5	I207	N205-I207 PolarHBondContact O-N 3.41Å
206	R	32.5	Very low	39.2	Very low	230 Å²	230	125.2 Å²	125.2	87%	0.868	70%	0.699	S	S	*	*			trans	-58.1	96.5	154.8	-102.2	-173.4	-95.3	-163.1	-5.6	106.1	S204 Q208	S204-R206 VanDerWaalsContact C-N 3.25Å; S204-R206 PolarHBondContact O-N 3.32Å; R206-Q208 VanDerWaalsContact C-N 3.26Å; R206-Q208 PolarHBondContact O-N 2.93Å
207	I	33.1	Very low	40.6	Very low	158 Å²	158	130 Å²	130	81%	0.81	71%	0.712	S	S	*	*			trans	-58.5	100.3	166.7	-62.2	172.4	0	0	0	104.5	N205 S209	N205-I207 PolarHBondContact O-N 3.41Å; I207-S209 PolarHBondContact O-N 3.04Å; I207-S209 VanDerWaalsContact O-N 3.08Å
208	Q	30.4	Very low	42.8	Very low	166 Å²	166	126 Å²	126	78%	0.776	69%	0.694	S	S	*	*			trans	-56	119.1	172	-78.8	178.6	-3	0	0	106.4	R206 S210	R206-Q208 VanDerWaalsContact C-N 3.26Å; R206-Q208 PolarHBondContact O-N 2.93Å; Q208-S210 VanDerWaalsContact C-N 3.28Å; Q208-S210 PolarHBondContact O-N 3.47Å
209	S	34.6	Very low	44.7	Very low	124 Å²	124	129.5 Å²	129.5	87%	0.867	71%	0.709	S	S	*	*			trans	-64.2	87.1	177.3	48.9	0	0	0	0	109	I207	I207-S209 PolarHBondContact O-N 3.04Å; I207-S209 VanDerWaalsContact O-N 3.08Å
210	S	32.6	Very low	47	Very low	92 Å²	92	125.6 Å²	125.6	64%	0.643	70%	0.7	S	S	*	*			trans	-144.3	125.2	165.5	58.6	0	0	0	0	110	Q208	Q208-S210 VanDerWaalsContact C-N 3.28Å; Q208-S210 PolarHBondContact O-N 3.47Å
211	S	34.1	Very low	48.9	Very low	117 Å²	117	124.9 Å²	124.9	82%	0.818	69%	0.685	S	S	*	*			trans	83	112.8	178.4	79.7	0	0	0	0	117.2	Y213	S211-Y213 PolarHBondContact O-N 2.99Å
212	S	39.9	Very low	51	Low	114 Å²	114	122.8 Å²	122.8	80%	0.797	68%	0.675	S	S	*	*	S	Bend	trans	-79.2	13.2	-176.9	66.4	0	0	0	0	115.1	G214	S212-G214 PolarHBondContact O-N 3.22Å
213	Y	37.1	Very low	53.7	Low	223 Å²	223	125 Å²	125	88%	0.875	67%	0.672	S	S	*	*			trans	-97.9	73	-179.9	-90.9	-92.3	0	0	0	111.3	S211	S211-Y213 PolarHBondContact O-N 2.99Å
214	G	45.2	Very low	56	Low	56 Å²	56	128.4 Å²	128.4	58%	0.577	67%	0.668	S	S	*	*	S	Bend	trans	-164.5	-24	174.9	0	0	0	0	0	117.9	S212 H216	S212-G214 PolarHBondContact O-N 3.22Å; G214-H216 VanDerWaalsContact C-N 3.32Å; G214-H216 PolarHBondContact O-N 3.34Å
215	S	48	Very low	58.8	Low	86 Å²	86	124 Å²	124	60%	0.601	64%	0.636	S	S	*	*	G	3₁₀ helix	trans	-72.4	-20.1	-168.8	85.7	0	0	0	0	114.7	K217	S215-K217 VanDerWaalsContact C-N 3.3Å; S215-K217 PolarHBondContact O-N 2.91Å
216	H	56.1	Low	61.7	Low	179 Å²	179	120.9 Å²	120.9	83%	0.829	62%	0.619	S	S	*	*	G	3₁₀ helix	trans	-75.5	-7.8	-175	-92	-63.9	0	0	0	115.7	G214	G214-H216 VanDerWaalsContact C-N 3.32Å; G214-H216 PolarHBondContact O-N 3.34Å
217	K	67.5	Low	64.6	Low	202 Å²	202	113 Å²	113	88%	0.878	60%	0.603	S	S	*	*	G	3₁₀ helix	trans	-96.5	-1.2	-178	-75.5	-173.8	177	178.8	0	115.8	S215 K219	S215-K217 VanDerWaalsContact C-N 3.3Å; S215-K217 PolarHBondContact O-N 2.91Å; K217-K219 PolarHBondContact O-N 2.89Å
218	M	79.9	Confident	67.6	Low	68 Å²	68	109 Å²	109	34%	0.335	58%	0.58	S	S	.	*			trans	-77.9	126.8	-174.9	-67.1	-177.7	78.4	0	0	113.4	L222 R223 L226	M218-L222 HydrophobicContact CE-CB 4.44Å; M218-L222 HydrophobicContact CE-CD2 3.44Å; M218-L222 VanDerWaalsContact CE-CD2 3.44Å; M218-L222 HydrophobicContact CE-CG 3.61Å; M218-R223 HydrophobicContact CB-CG 3.95Å; M218-R223 PolarHBondContact O-NH1 2.92Å; M218-R223 PolarHBondContact O-NH2 3.4Å; M218-L226 HydrophobicContact CE-CD1 3.38Å
219	K	88.8	Confident	70.6	Confident	146 Å²	146	102 Å²	102	64%	0.635	55%	0.547	S	S	*	.			trans	-56.7	138.4	172.4	-68	-173	178.7	-174.6	0	110.2	D192 K217 H221 L222 R223	D192-K219 IonicContact OD1-NZ 2.72Å; K217-K219 PolarHBondContact O-N 2.89Å; K219-H221 PolarHBondContact O-N 2.59Å; K219-H221 VanDerWaalsContact O-N 3.14Å; K219-L222 WeakPolarHBondContact O-CB 3.39Å; K219-L222 PolarHBondContact O-N 2.67Å; K219-R223 PolarHBondContact O-N 3.13Å
220	A	89.9	Confident	73.4	Confident	55 Å²	55	100.4 Å²	100.4	46%	0.455	53%	0.526	S	S	.	.	H	α-helix	trans	-59.2	-29.6	-174.5	0	0	0	0	0	114.5	R224	A220-R224 WeakPolarHBondContact O-CG 3.42Å; A220-R224 PolarHBondContact O-N 3.41Å; A220-R224 VanDerWaalsContact O-N 3.13Å
221	H	87.2	Confident	76.4	Confident	83 Å²	83	101.1 Å²	101.1	38%	0.384	52%	0.519	S	S	.	.	H	α-helix	trans	-63.4	-42.2	173.3	176	-96.7	0	0	0	112	F198 K219 R224 W225 R254	F198-H221 AromaticContact CZ-CE1 3.79Å; K219-H221 PolarHBondContact O-N 2.59Å; K219-H221 VanDerWaalsContact O-N 3.14Å; H221-R224 PolarHBondContact O-N 2.97Å; H221-W225 PolarHBondContact O-N 2.81Å; H221-R254 PolarHBondContact NE2-NH2 3.42Å
222	L	88.6	Confident	79.3	Confident	66 Å²	66	95.8 Å²	95.8	35%	0.346	48%	0.481	S	S	.	.	H	α-helix	trans	-66.7	-41.3	179.9	-175.1	58.8	0	0	0	111.4	M218 K219 R224 W225 L226	M218-L222 HydrophobicContact CE-CB 4.44Å; M218-L222 HydrophobicContact CE-CD2 3.44Å; M218-L222 VanDerWaalsContact CE-CD2 3.44Å; M218-L222 HydrophobicContact CE-CG 3.61Å; K219-L222 WeakPolarHBondContact O-CB 3.39Å; K219-L222 PolarHBondContact O-N 2.67Å; L222-R224 PolarHBondContact O-N 3.18Å; L222-W225 PolarHBondContact O-N 3.12Å; L222-W225 VanDerWaalsContact O-N 3.15Å; L222-L226 HydrophobicContact CG-CD1 4.47Å; L222-L226 WeakPolarHBondContact O-CG 3.41Å; L222-L226 PolarHBondContact O-N 3.2Å
223	R	91.2	Very high	81.9	Confident	121 Å²	121	95 Å²	95	46%	0.457	46%	0.46	S	S	.	.	H	α-helix	trans	-58.9	-45.8	173.3	-69.9	-168.5	-79.2	-127	-0.9	112.2	M218 K219 W225 L226 A227	M218-R223 HydrophobicContact CB-CG 3.95Å; M218-R223 PolarHBondContact O-NH1 2.92Å; M218-R223 PolarHBondContact O-NH2 3.4Å; K219-R223 PolarHBondContact O-N 3.13Å; R223-W225 VanDerWaalsContact C-N 3.27Å; R223-W225 PolarHBondContact O-N 2.89Å; R223-L226 PolarHBondContact O-N 3.32Å; R223-A227 WeakPolarHBondContact O-CB 3.46Å; R223-A227 PolarHBondContact O-N 3.47Å
224	R	93.4	Very high	84.6	Confident	177 Å²	177	89.8 Å²	89.8	67%	0.668	44%	0.444	S	S	*	.	H	α-helix	trans	-62.3	-34.7	175.8	-75	-174	-72	167.7	-3.9	112.3	A220 H221 L222 K228	A220-R224 WeakPolarHBondContact O-CG 3.42Å; A220-R224 PolarHBondContact O-N 3.41Å; A220-R224 VanDerWaalsContact O-N 3.13Å; H221-R224 PolarHBondContact O-N 2.97Å; L222-R224 PolarHBondContact O-N 3.18Å; R224-K228 WeakPolarHBondContact O-CB 3.45Å; R224-K228 PolarHBondContact O-N 3.27Å; R224-K228 VanDerWaalsContact O-N 3.13Å
225	W	92.3	Very high	87	Confident	13 Å²	13	90.9 Å²	90.9	5%	0.049	43%	0.43	C	S	.	.	H	α-helix	trans	-70.8	-47	177.3	178.1	-117.6	0	0	0	112.7	F198 H221 L222 R223 A227 K228 Q229 L247 Y250 Y251	F198-W225 AromaticContact CD1-CD1 3.68Å; F198-W225 HydrophobicContact CD1-CD2 4.48Å; F198-W225 AromaticContact CD1-CE2 3.84Å; F198-W225 HydrophobicContact CD1-CG 4.35Å; F198-W225 HydrophobicContact CD1-CZ2 4.43Å; F198-W225 AromaticContact CD1-NE1 3.3Å; F198-W225 VanDerWaalsContact CD1-NE1 3.3Å; F198-W225 AromaticContact CE1-CD1 3.43Å; F198-W225 VanDerWaalsContact CE1-CD1 3.43Å; F198-W225 HydrophobicContact CE1-CD2 4.32Å; F198-W225 AromaticContact CE1-CG 3.87Å; F198-W225 HydrophobicContact CE1-CG 3.87Å; F198-W225 AromaticContact CE1-NE1 3.58Å; H221-W225 PolarHBondContact O-N 2.81Å; L222-W225 PolarHBondContact O-N 3.12Å; L222-W225 VanDerWaalsContact O-N 3.15Å; R223-W225 VanDerWaalsContact C-N 3.27Å; R223-W225 PolarHBondContact O-N 2.89Å; W225-A227 PolarHBondContact O-N 2.74Å; W225-K228 HydrophobicContact CE3-CB 4.24Å; W225-K228 HydrophobicContact CZ3-CG 4.35Å; W225-K228 CarbonylContact O-C 3.59Å; W225-K228 WeakPolarHBondContact O-CA 3.09Å; W225-K228 WeakPolarHBondContact O-CB 3.35Å; W225-K228 PolarHBondContact O-N 3.26Å; W225-Q229 HydrophobicContact CD2-CG 4.22Å; W225-Q229 HydrophobicContact CH2-CG 4.28Å; W225-Q229 HydrophobicContact CZ2-CG 3.83Å; W225-Q229 PolarHBondContact O-N 2.96Å; W225-L247 HydrophobicContact CH2-CD1 3.73Å; W225-L247 HydrophobicContact CZ2-CD1 4.11Å; W225-Y250 HydrophobicContact CE3-CE1 4.23Å; W225-Y250 AromaticContact CH2-CD1 3.88Å; W225-Y250 HydrophobicContact CH2-CD1 3.88Å; W225-Y250 AromaticContact CH2-CE1 3.62Å; W225-Y250 HydrophobicContact CH2-CE1 3.62Å; W225-Y250 AromaticContact CZ3-CD1 3.78Å; W225-Y250 HydrophobicContact CZ3-CD1 3.78Å; W225-Y250 AromaticContact CZ3-CE1 3.16Å; W225-Y250 HydrophobicContact CZ3-CE1 3.16Å; W225-Y250 AromaticContact CZ3-CZ 3.56Å; W225-Y251 AromaticContact CH2-CE1 3.84Å; W225-Y251 HydrophobicContact CH2-CE1 3.84Å; W225-Y251 HydrophobicContact CZ2-CE1 4.14Å; W225-Y251 WeakPolarHBondContact CZ2-OH 3.46Å
226	L	93.1	Very high	89.2	Confident	63 Å²	63	87.7 Å²	87.7	33%	0.33	41%	0.408	S	S	.	.	H	α-helix	trans	-60.7	-45	176.9	-71.2	174.6	0	0	0	111.8	I201 M218 L222 R223 K228 Q229 E230	I201-L226 HydrophobicContact CD1-CD2 4.48Å; M218-L226 HydrophobicContact CE-CD1 3.38Å; L222-L226 HydrophobicContact CG-CD1 4.47Å; L222-L226 WeakPolarHBondContact O-CG 3.41Å; L222-L226 PolarHBondContact O-N 3.2Å; R223-L226 PolarHBondContact O-N 3.32Å; L226-K228 PolarHBondContact O-N 2.81Å; L226-Q229 PolarHBondContact O-N 2.81Å; L226-Q229 VanDerWaalsContact O-N 3.14Å; L226-E230 PolarHBondContact O-N 2.88Å
227	A	93.9	Very high	90.9	Very high	64 Å²	64	85.9 Å²	85.9	53%	0.529	40%	0.404	S	S	.	.	H	α-helix	trans	-58.8	-34.8	173.5	0	0	0	0	0	111.9	R223 W225 H231	R223-A227 WeakPolarHBondContact O-CB 3.46Å; R223-A227 PolarHBondContact O-N 3.47Å; W225-A227 PolarHBondContact O-N 2.74Å; A227-H231 WeakPolarHBondContact O-CB 3.04Å; A227-H231 PolarHBondContact O-N 3.16Å
228	K	95.4	Very high	92.2	Very high	74 Å²	74	85.3 Å²	85.3	32%	0.322	40%	0.401	S	S	.	.	H	α-helix	trans	-71.2	-40.5	176.4	-171.5	59.3	-179.8	176.2	0	112.2	R224 W225 L226 H231 L232 Y250	R224-K228 WeakPolarHBondContact O-CB 3.45Å; R224-K228 PolarHBondContact O-N 3.27Å; R224-K228 VanDerWaalsContact O-N 3.13Å; W225-K228 HydrophobicContact CE3-CB 4.24Å; W225-K228 HydrophobicContact CZ3-CG 4.35Å; W225-K228 CarbonylContact O-C 3.59Å; W225-K228 WeakPolarHBondContact O-CA 3.09Å; W225-K228 WeakPolarHBondContact O-CB 3.35Å; W225-K228 PolarHBondContact O-N 3.26Å; L226-K228 PolarHBondContact O-N 2.81Å; K228-H231 PolarHBondContact O-N 2.5Å; K228-L232 HydrophobicContact CG-CD1 4.47Å; K228-L232 VanDerWaalsContact O-CG 3.29Å; K228-L232 WeakPolarHBondContact O-CG 3.27Å; K228-L232 PolarHBondContact O-N 2.85Å; K228-Y250 HydrophobicContact CD-CE2 4.21Å; K228-Y250 HydrophobicContact CG-CD2 4.23Å; K228-Y250 HydrophobicContact CG-CE2 3.79Å
229	Q	94.2	Very high	92.8	Very high	20 Å²	20	85.7 Å²	85.7	9%	0.093	40%	0.402	C	S	.	.	H	α-helix	trans	-63.6	-43.4	174.7	-72.1	-168.9	-43.3	0	0	111.2	W225 L226 H231 L232 R233 F243	W225-Q229 HydrophobicContact CD2-CG 4.22Å; W225-Q229 HydrophobicContact CH2-CG 4.28Å; W225-Q229 HydrophobicContact CZ2-CG 3.83Å; W225-Q229 PolarHBondContact O-N 2.96Å; L226-Q229 PolarHBondContact O-N 2.81Å; L226-Q229 VanDerWaalsContact O-N 3.14Å; Q229-H231 VanDerWaalsContact C-N 3.35Å; Q229-H231 PolarHBondContact O-N 2.78Å; Q229-L232 CarbonylContact O-C 3.55Å; Q229-L232 WeakPolarHBondContact O-CA 2.9Å; Q229-L232 WeakPolarHBondContact O-CB 3.43Å; Q229-L232 PolarHBondContact O-N 2.67Å; Q229-L232 VanDerWaalsContact O-N 3.09Å; Q229-R233 WeakPolarHBondContact O-CG 3.39Å; Q229-R233 PolarHBondContact O-N 3.07Å; Q229-F243 WeakPolarHBondContact O-CE2 3.35Å
230	E	93.8	Very high	92.9	Very high	90 Å²	90	86.2 Å²	86.2	42%	0.421	41%	0.412	S	S	.	.	H	α-helix	trans	-62.1	-43.6	177.1	-169.1	55.6	-147.1	0	0	111.7	L226 L232 R233 H234	L226-E230 PolarHBondContact O-N 2.88Å; E230-L232 VanDerWaalsContact C-N 3.28Å; E230-L232 PolarHBondContact O-N 3.06Å; E230-R233 WeakPolarHBondContact O-CB 3.4Å; E230-R233 PolarHBondContact O-N 3.09Å; E230-R233 VanDerWaalsContact O-N 3.07Å; E230-H234 PolarHBondContact O-CD2 3.44Å; E230-H234 PolarHBondContact O-N 3.27Å; E230-H234 IonicContact OE1-CD2 2.85Å; E230-H234 IonicContact OE1-CE1 3.18Å; E230-H234 IonicContact OE1-NE2 2.79Å; E230-H234 PolarHBondContact OE1-NE2 3.37Å
231	H	94.8	Very high	93	Very high	106 Å²	106	88 Å²	88	49%	0.491	41%	0.407	S	S	.	.	H	α-helix	trans	-60.5	-37.5	173.5	-178.3	81	0	0	0	112.7	A227 K228 Q229 R235	A227-H231 WeakPolarHBondContact O-CB 3.04Å; A227-H231 PolarHBondContact O-N 3.16Å; K228-H231 PolarHBondContact O-N 2.5Å; Q229-H231 VanDerWaalsContact C-N 3.35Å; Q229-H231 PolarHBondContact O-N 2.78Å; H231-R235 WeakPolarHBondContact O-CB 3.36Å; H231-R235 PolarHBondContact O-N 3.03Å
232	L	95.5	Very high	93.3	Very high	5 Å²	5	86.9 Å²	86.9	3%	0.026	41%	0.409	C	S	.	.	H	α-helix	trans	-68.9	-33.3	174.3	-70.5	170.6	0	0	0	112	K228 Q229 E230 R235 S236 F243 L246 L247 Y250	K228-L232 HydrophobicContact CG-CD1 4.47Å; K228-L232 VanDerWaalsContact O-CG 3.29Å; K228-L232 WeakPolarHBondContact O-CG 3.27Å; K228-L232 PolarHBondContact O-N 2.85Å; Q229-L232 CarbonylContact O-C 3.55Å; Q229-L232 WeakPolarHBondContact O-CA 2.9Å; Q229-L232 WeakPolarHBondContact O-CB 3.43Å; Q229-L232 PolarHBondContact O-N 2.67Å; Q229-L232 VanDerWaalsContact O-N 3.09Å; E230-L232 VanDerWaalsContact C-N 3.28Å; E230-L232 PolarHBondContact O-N 3.06Å; L232-R235 PolarHBondContact O-N 2.98Å; L232-S236 WeakPolarHBondContact O-CB 3.42Å; L232-S236 PolarHBondContact O-N 3.24Å; L232-F243 HydrophobicContact CB-CD2 4.14Å; L232-F243 HydrophobicContact CB-CE2 3.69Å; L232-L246 HydrophobicContact CD2-CB 4.25Å; L232-L247 HydrophobicContact CD1-CD1 3.89Å; L232-Y250 HydrophobicContact CD1-CG 4.22Å
233	R	94.3	Very high	93.5	Very high	98 Å²	98	86 Å²	86	37%	0.37	40%	0.402	S	S	.	.	H	α-helix	trans	-66.2	-48.4	173.3	-71.9	-177.5	173.5	-156.5	-2.3	111.8	Q229 E230 R235 S236 L237 F243	Q229-R233 WeakPolarHBondContact O-CG 3.39Å; Q229-R233 PolarHBondContact O-N 3.07Å; E230-R233 WeakPolarHBondContact O-CB 3.4Å; E230-R233 PolarHBondContact O-N 3.09Å; E230-R233 VanDerWaalsContact O-N 3.07Å; R233-R235 VanDerWaalsContact C-N 3.27Å; R233-R235 PolarHBondContact O-N 2.85Å; R233-S236 WeakPolarHBondContact O-CB 3.35Å; R233-S236 PolarHBondContact O-N 3.02Å; R233-S236 VanDerWaalsContact O-N 3.15Å; R233-L237 PolarHBondContact O-N 3.28Å; R233-F243 HydrophobicContact CB-CD2 4.28Å; R233-F243 HydrophobicContact CB-CE2 4.34Å; R233-F243 HydrophobicContact CG-CD2 3.58Å; R233-F243 HydrophobicContact CG-CE2 3.42Å; R233-F243 VanDerWaalsContact CG-CE2 3.42Å; R233-F243 HydrophobicContact CG-CG 4.28Å; R233-F243 HydrophobicContact CG-CZ 4.02Å
234	H	94.3	Very high	93.7	Very high	114 Å²	114	87.3 Å²	87.3	53%	0.528	41%	0.413	S	S	.	.	H	α-helix	trans	-59.5	-40	174.2	-76	-58.6	0	0	0	112.2	E230 L237 K238	E230-H234 PolarHBondContact O-CD2 3.44Å; E230-H234 PolarHBondContact O-N 3.27Å; E230-H234 IonicContact OE1-CD2 2.85Å; E230-H234 IonicContact OE1-CE1 3.18Å; E230-H234 IonicContact OE1-NE2 2.79Å; E230-H234 PolarHBondContact OE1-NE2 3.37Å; H234-L237 PolarHBondContact O-N 3.24Å; H234-K238 WeakPolarHBondContact O-CB 3.17Å; H234-K238 PolarHBondContact O-N 2.98Å
235	R	94.3	Very high	93.7	Very high	78 Å²	78	83 Å²	83	29%	0.294	40%	0.403	S	S	.	.	H	α-helix	trans	-65.2	-40.7	175.1	-175.6	-178.7	174	151	14.7	112.3	H231 L232 R233 L237 K238 E239 L246	H231-R235 WeakPolarHBondContact O-CB 3.36Å; H231-R235 PolarHBondContact O-N 3.03Å; L232-R235 PolarHBondContact O-N 2.98Å; R233-R235 VanDerWaalsContact C-N 3.27Å; R233-R235 PolarHBondContact O-N 2.85Å; R235-L237 VanDerWaalsContact C-N 3.34Å; R235-L237 PolarHBondContact O-N 3.12Å; R235-K238 PolarHBondContact O-N 3.2Å; R235-E239 VanDerWaalsContact CG-CD 3.48Å; R235-E239 HydrophobicContact CG-CG 4.06Å; R235-E239 WeakPolarHBondContact CG-OE1 3.31Å; R235-E239 IonicContact CZ-OE1 3.5Å; R235-E239 IonicContact CZ-OE2 2.64Å; R235-E239 IonicContact NE-OE1 3.46Å; R235-E239 PolarHBondContact NE-OE1 2.73Å; R235-E239 IonicContact NE-OE2 2.94Å; R235-E239 PolarHBondContact NE-OE2 3.43Å; R235-E239 IonicContact NH2-OE1 3.7Å; R235-E239 PolarHBondContact NH2-OE1 2.96Å; R235-E239 IonicContact NH2-OE2 3.01Å; R235-E239 PolarHBondContact NH2-OE2 3.04Å; R235-E239 WeakPolarHBondContact O-CB 3.45Å; R235-E239 WeakPolarHBondContact O-CG 3.27Å; R235-E239 PolarHBondContact O-N 3.22Å; R235-L246 HydrophobicContact CB-CD1 4.09Å; R235-L246 HydrophobicContact CG-CD1 3.83Å
236	S	94.2	Very high	93.7	Very high	20 Å²	20	82.4 Å²	82.4	14%	0.14	40%	0.401	C	S	.	.	H	α-helix	trans	-56.8	-47.9	175.5	170.2	0	0	0	0	111.4	L232 R233 N240 R241 F243	L232-S236 WeakPolarHBondContact O-CB 3.42Å; L232-S236 PolarHBondContact O-N 3.24Å; R233-S236 WeakPolarHBondContact O-CB 3.35Å; R233-S236 PolarHBondContact O-N 3.02Å; R233-S236 VanDerWaalsContact O-N 3.15Å; S236-N240 WeakPolarHBondContact O-CA 3.4Å; S236-N240 PolarHBondContact O-N 3.04Å; S236-N240 VanDerWaalsContact O-N 3.07Å; S236-R241 WeakPolarHBondContact CA-O 3.32Å; S236-R241 WeakPolarHBondContact CB-O 3.38Å; S236-R241 PolarHBondContact O-N 3.28Å; S236-R241 VanDerWaalsContact O-N 3.17Å; S236-R241 PolarHBondContact OG-O 3.38Å; S236-F243 WeakPolarHBondContact OG-CA 3.33Å; S236-F243 PolarHBondContact OG-N 3.08Å; S236-F243 VanDerWaalsContact OG-N 3.08Å
237	L	93.3	Very high	93.8	Very high	140 Å²	140	80.2 Å²	80.2	73%	0.733	39%	0.389	S	S	*	.	H	α-helix	trans	-63.9	-43.9	176.4	-67	170.1	0	0	0	112.1	R233 H234 R235	R233-L237 PolarHBondContact O-N 3.28Å; H234-L237 PolarHBondContact O-N 3.24Å; R235-L237 VanDerWaalsContact C-N 3.34Å; R235-L237 PolarHBondContact O-N 3.12Å
238	K	93.5	Very high	93.9	Very high	190 Å²	190	82 Å²	82	83%	0.826	39%	0.387	S	S	*	.	H	α-helix	trans	-68.4	-39.4	-178.5	-175.7	179.1	177.9	-179.9	0	113.4	H234 R235	H234-K238 WeakPolarHBondContact O-CB 3.17Å; H234-K238 PolarHBondContact O-N 2.98Å; R235-K238 PolarHBondContact O-N 3.2Å
239	E	92	Very high	93.8	Very high	76 Å²	76	80.7 Å²	80.7	36%	0.355	38%	0.382	S	S	.	.	H	α-helix	trans	-91.4	-1.9	-176.9	-64.3	-179.1	175.1	0	0	112.8	R235 R241	R235-E239 VanDerWaalsContact CG-CD 3.48Å; R235-E239 HydrophobicContact CG-CG 4.06Å; R235-E239 WeakPolarHBondContact CG-OE1 3.31Å; R235-E239 IonicContact CZ-OE1 3.5Å; R235-E239 IonicContact CZ-OE2 2.64Å; R235-E239 IonicContact NE-OE1 3.46Å; R235-E239 PolarHBondContact NE-OE1 2.73Å; R235-E239 IonicContact NE-OE2 2.94Å; R235-E239 PolarHBondContact NE-OE2 3.43Å; R235-E239 IonicContact NH2-OE1 3.7Å; R235-E239 PolarHBondContact NH2-OE1 2.96Å; R235-E239 IonicContact NH2-OE2 3.01Å; R235-E239 PolarHBondContact NH2-OE2 3.04Å; R235-E239 WeakPolarHBondContact O-CB 3.45Å; R235-E239 WeakPolarHBondContact O-CG 3.27Å; R235-E239 PolarHBondContact O-N 3.22Å; E239-R241 HydrophobicContact CB-CB 4.47Å; E239-R241 HydrophobicContact CB-CG 4.04Å; E239-R241 PolarHBondContact O-N 2.72Å
240	N	92	Very high	93.9	Very high	157 Å²	157	81 Å²	81	84%	0.84	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.3	37.8	-172	-160.6	42	0	0	0	113	S236	S236-N240 WeakPolarHBondContact O-CA 3.4Å; S236-N240 PolarHBondContact O-N 3.04Å; S236-N240 VanDerWaalsContact O-N 3.07Å
241	R	92.4	Very high	93.9	Very high	92 Å²	92	80.1 Å²	80.1	35%	0.347	38%	0.376	S	S	.	.			trans	-110.9	147.5	177.6	-64.9	-174.7	71.9	-160.1	-0.5	109.5	S236 E239 F243 I245 L246 E249	S236-R241 WeakPolarHBondContact CA-O 3.32Å; S236-R241 WeakPolarHBondContact CB-O 3.38Å; S236-R241 PolarHBondContact O-N 3.28Å; S236-R241 VanDerWaalsContact O-N 3.17Å; S236-R241 PolarHBondContact OG-O 3.38Å; E239-R241 HydrophobicContact CB-CB 4.47Å; E239-R241 HydrophobicContact CB-CG 4.04Å; E239-R241 PolarHBondContact O-N 2.72Å; R241-F243 PolarHBondContact O-N 3.22Å; R241-I245 VanDerWaalsContact NH2-CG2 3.33Å; R241-L246 HydrophobicContact CB-CG 4.46Å; R241-E249 IonicContact CZ-OE1 3.22Å; R241-E249 IonicContact NH1-OE1 2.85Å; R241-E249 PolarHBondContact NH1-OE1 3.35Å; R241-E249 IonicContact NH1-OE2 3.74Å; R241-E249 IonicContact NH2-OE1 2.69Å; R241-E249 PolarHBondContact NH2-OE1 3.17Å
242	S	92.5	Very high	93.9	Very high	60 Å²	60	79.8 Å²	79.8	42%	0.42	37%	0.374	S	S	.	.			trans	-57.3	131.2	174	173.6	0	0	0	0	111	E244 I245 L246	S242-E244 PolarHBondContact O-N 2.82Å; S242-E244 PolarHBondContact OG-N 2.81Å; S242-I245 PolarHBondContact O-N 3.07Å; S242-I245 VanDerWaalsContact O-N 3.16Å; S242-L246 PolarHBondContact O-N 3.18Å
243	F	94.3	Very high	93.9	Very high	48 Å²	48	85.1 Å²	85.1	21%	0.211	39%	0.394	C	S	.	.	H	α-helix	trans	-54.5	-36.7	174.7	170.2	-105.9	0	0	0	111.8	Q229 L232 R233 S236 R241 I245 L246 L247	Q229-F243 WeakPolarHBondContact O-CE2 3.35Å; L232-F243 HydrophobicContact CB-CD2 4.14Å; L232-F243 HydrophobicContact CB-CE2 3.69Å; R233-F243 HydrophobicContact CB-CD2 4.28Å; R233-F243 HydrophobicContact CB-CE2 4.34Å; R233-F243 HydrophobicContact CG-CD2 3.58Å; R233-F243 HydrophobicContact CG-CE2 3.42Å; R233-F243 VanDerWaalsContact CG-CE2 3.42Å; R233-F243 HydrophobicContact CG-CG 4.28Å; R233-F243 HydrophobicContact CG-CZ 4.02Å; S236-F243 WeakPolarHBondContact OG-CA 3.33Å; S236-F243 PolarHBondContact OG-N 3.08Å; S236-F243 VanDerWaalsContact OG-N 3.08Å; R241-F243 PolarHBondContact O-N 3.22Å; F243-I245 PolarHBondContact O-N 3.44Å; F243-L246 PolarHBondContact O-N 3.16Å; F243-L247 HydrophobicContact CE1-CD2 4.08Å; F243-L247 HydrophobicContact CZ-CD2 4.3Å; F243-L247 WeakPolarHBondContact O-CB 3.05Å; F243-L247 PolarHBondContact O-N 3.12Å
244	E	94	Very high	93.8	Very high	148 Å²	148	83.9 Å²	83.9	69%	0.692	39%	0.389	S	S	*	.	H	α-helix	trans	-63.5	-41.5	180	-170.9	165.6	-165.7	0	0	112.1	S242 L247 Q248	S242-E244 PolarHBondContact O-N 2.82Å; S242-E244 PolarHBondContact OG-N 2.81Å; E244-L247 PolarHBondContact O-N 3.05Å; E244-Q248 WeakPolarHBondContact O-CB 3.12Å; E244-Q248 PolarHBondContact O-N 3.31Å
245	I	93.3	Very high	93.7	Very high	87 Å²	87	83.1 Å²	83.1	45%	0.446	39%	0.386	S	S	.	.	H	α-helix	trans	-63.5	-45.4	176	-62.8	173.2	0	0	0	110.5	R241 S242 F243 L247 Q248 E249	R241-I245 VanDerWaalsContact NH2-CG2 3.33Å; S242-I245 PolarHBondContact O-N 3.07Å; S242-I245 VanDerWaalsContact O-N 3.16Å; F243-I245 PolarHBondContact O-N 3.44Å; I245-L247 VanDerWaalsContact C-N 3.29Å; I245-L247 PolarHBondContact O-N 3.44Å; I245-Q248 PolarHBondContact O-N 3.03Å; I245-E249 WeakPolarHBondContact O-CG 3.39Å; I245-E249 PolarHBondContact O-N 3.18Å
246	L	93.5	Very high	93.7	Very high	0 Å²	0	86.4 Å²	86.4	0%	0	40%	0.402	C	S	.	.	H	α-helix	trans	-65.2	-34.5	178.3	-68.4	179.5	0	0	0	112.4	L232 R235 R241 S242 F243 Y250	L232-L246 HydrophobicContact CD2-CB 4.25Å; R235-L246 HydrophobicContact CB-CD1 4.09Å; R235-L246 HydrophobicContact CG-CD1 3.83Å; R241-L246 HydrophobicContact CB-CG 4.46Å; S242-L246 PolarHBondContact O-N 3.18Å; F243-L246 PolarHBondContact O-N 3.16Å; L246-Y250 WeakPolarHBondContact O-CB 3.39Å; L246-Y250 PolarHBondContact O-N 3.33Å
247	L	95.2	Very high	93.7	Very high	18 Å²	18	91.8 Å²	91.8	9%	0.094	42%	0.419	C	S	.	.	H	α-helix	trans	-68.2	-42	175.4	-174.1	62.8	0	0	0	111.1	W225 L232 F243 E244 I245 Y250 Y251	W225-L247 HydrophobicContact CH2-CD1 3.73Å; W225-L247 HydrophobicContact CZ2-CD1 4.11Å; L232-L247 HydrophobicContact CD1-CD1 3.89Å; F243-L247 HydrophobicContact CE1-CD2 4.08Å; F243-L247 HydrophobicContact CZ-CD2 4.3Å; F243-L247 WeakPolarHBondContact O-CB 3.05Å; F243-L247 PolarHBondContact O-N 3.12Å; E244-L247 PolarHBondContact O-N 3.05Å; I245-L247 VanDerWaalsContact C-N 3.29Å; I245-L247 PolarHBondContact O-N 3.44Å; L247-Y250 WeakPolarHBondContact O-CB 3.35Å; L247-Y250 PolarHBondContact O-N 3.27Å; L247-Y251 HydrophobicContact CD1-CE2 3.99Å; L247-Y251 HydrophobicContact CD2-CE2 4.04Å; L247-Y251 HydrophobicContact CG-CD2 4.11Å; L247-Y251 HydrophobicContact CG-CE2 3.59Å; L247-Y251 VanDerWaalsContact O-CD2 3.24Å; L247-Y251 WeakPolarHBondContact O-CD2 3.39Å; L247-Y251 PolarHBondContact O-N 2.92Å
248	Q	94.6	Very high	93.6	Very high	102 Å²	102	89.6 Å²	89.6	48%	0.477	41%	0.408	S	S	.	.	H	α-helix	trans	-62.5	-47.9	175	-174.3	59.4	23	0	0	112	E244 I245 Y250 Y251 E252	E244-Q248 WeakPolarHBondContact O-CB 3.12Å; E244-Q248 PolarHBondContact O-N 3.31Å; I245-Q248 PolarHBondContact O-N 3.03Å; Q248-Y250 PolarHBondContact O-N 3.03Å; Q248-Y251 WeakPolarHBondContact O-CB 3.25Å; Q248-Y251 PolarHBondContact O-N 2.96Å; Q248-E252 PolarHBondContact O-N 2.97Å
249	E	94.5	Very high	93.4	Very high	45 Å²	45	84.7 Å²	84.7	21%	0.21	39%	0.391	C	S	.	.	H	α-helix	trans	-58.8	-36.1	174.6	-73.4	-178.6	-168	0	0	112.3	R241 I245 R253	R241-E249 IonicContact CZ-OE1 3.22Å; R241-E249 IonicContact NH1-OE1 2.85Å; R241-E249 PolarHBondContact NH1-OE1 3.35Å; R241-E249 IonicContact NH1-OE2 3.74Å; R241-E249 IonicContact NH2-OE1 2.69Å; R241-E249 PolarHBondContact NH2-OE1 3.17Å; I245-E249 WeakPolarHBondContact O-CG 3.39Å; I245-E249 PolarHBondContact O-N 3.18Å; E249-R253 WeakPolarHBondContact O-CB 3.31Å; E249-R253 WeakPolarHBondContact O-CG 3.31Å; E249-R253 PolarHBondContact O-N 2.77Å; E249-R253 PolarHBondContact O-NE 3.05Å; E249-R253 IonicContact OE2-CZ 3.77Å; E249-R253 IonicContact OE2-NH2 2.62Å; E249-R253 PolarHBondContact OE2-NH2 3.15Å
250	Y	95	Very high	93.3	Very high	28 Å²	28	89.7 Å²	89.7	11%	0.11	41%	0.411	C	S	.	.	H	α-helix	trans	-64.6	-44.4	174.2	168.2	-85.6	0	0	0	111	W225 K228 L232 L246 L247 Q248 R253 R254	W225-Y250 HydrophobicContact CE3-CE1 4.23Å; W225-Y250 AromaticContact CH2-CD1 3.88Å; W225-Y250 HydrophobicContact CH2-CD1 3.88Å; W225-Y250 AromaticContact CH2-CE1 3.62Å; W225-Y250 HydrophobicContact CH2-CE1 3.62Å; W225-Y250 AromaticContact CZ3-CD1 3.78Å; W225-Y250 HydrophobicContact CZ3-CD1 3.78Å; W225-Y250 AromaticContact CZ3-CE1 3.16Å; W225-Y250 HydrophobicContact CZ3-CE1 3.16Å; W225-Y250 AromaticContact CZ3-CZ 3.56Å; K228-Y250 HydrophobicContact CD-CE2 4.21Å; K228-Y250 HydrophobicContact CG-CD2 4.23Å; K228-Y250 HydrophobicContact CG-CE2 3.79Å; L232-Y250 HydrophobicContact CD1-CG 4.22Å; L246-Y250 WeakPolarHBondContact O-CB 3.39Å; L246-Y250 PolarHBondContact O-N 3.33Å; L247-Y250 WeakPolarHBondContact O-CB 3.35Å; L247-Y250 PolarHBondContact O-N 3.27Å; Q248-Y250 PolarHBondContact O-N 3.03Å; Y250-R253 PolarHBondContact O-N 3.09Å; Y250-R254 HydrophobicContact CE1-CB 4.24Å; Y250-R254 WeakPolarHBondContact O-CB 3.39Å; Y250-R254 PolarHBondContact O-N 3.19Å; Y250-R254 PolarHBondContact OH-NH1 3.23Å; Y250-R254 VanDerWaalsContact OH-NH1 3.15Å
251	Y	95.3	Very high	93.2	Very high	71 Å²	71	88 Å²	88	28%	0.278	40%	0.403	S	S	.	.	H	α-helix	trans	-60.7	-44.2	177.1	-74.4	-52.6	0	0	0	111.4	W225 L247 Q248 R253 R254 Q255	W225-Y251 AromaticContact CH2-CE1 3.84Å; W225-Y251 HydrophobicContact CH2-CE1 3.84Å; W225-Y251 HydrophobicContact CZ2-CE1 4.14Å; W225-Y251 WeakPolarHBondContact CZ2-OH 3.46Å; L247-Y251 HydrophobicContact CD1-CE2 3.99Å; L247-Y251 HydrophobicContact CD2-CE2 4.04Å; L247-Y251 HydrophobicContact CG-CD2 4.11Å; L247-Y251 HydrophobicContact CG-CE2 3.59Å; L247-Y251 VanDerWaalsContact O-CD2 3.24Å; L247-Y251 WeakPolarHBondContact O-CD2 3.39Å; L247-Y251 PolarHBondContact O-N 2.92Å; Q248-Y251 WeakPolarHBondContact O-CB 3.25Å; Q248-Y251 PolarHBondContact O-N 2.96Å; Y251-R253 PolarHBondContact O-N 3.45Å; Y251-R254 WeakPolarHBondContact O-CB 3.48Å; Y251-R254 PolarHBondContact O-N 3.3Å; Y251-Q255 PolarHBondContact O-N 3.03Å
252	E	95	Very high	93	Very high	99 Å²	99	90.3 Å²	90.3	46%	0.463	42%	0.415	S	S	.	.	H	α-helix	trans	-61	-46.4	175	-69.2	175.3	-169.8	0	0	112.5	Q248 R254 Q255 K256	Q248-E252 PolarHBondContact O-N 2.97Å; E252-R254 VanDerWaalsContact C-N 3.27Å; E252-R254 PolarHBondContact O-N 3.37Å; E252-Q255 PolarHBondContact O-N 3.3Å; E252-K256 WeakPolarHBondContact O-CG 3.32Å; E252-K256 PolarHBondContact O-N 3.03Å
253	R	94.3	Very high	92.8	Very high	116 Å²	116	91.3 Å²	91.3	44%	0.438	42%	0.42	S	S	.	.	H	α-helix	trans	-64.8	-31.1	176	-76.4	-177.6	-105.5	166.3	-9.4	112.3	E249 Y250 Y251 R257	E249-R253 WeakPolarHBondContact O-CB 3.31Å; E249-R253 WeakPolarHBondContact O-CG 3.31Å; E249-R253 PolarHBondContact O-N 2.77Å; E249-R253 PolarHBondContact O-NE 3.05Å; E249-R253 IonicContact OE2-CZ 3.77Å; E249-R253 IonicContact OE2-NH2 2.62Å; E249-R253 PolarHBondContact OE2-NH2 3.15Å; Y250-R253 PolarHBondContact O-N 3.09Å; Y251-R253 PolarHBondContact O-N 3.45Å; R253-R257 WeakPolarHBondContact O-CG 3.1Å; R253-R257 PolarHBondContact O-N 3.49Å; R253-R257 PolarHBondContact O-NE 3.28Å
254	R	93.1	Very high	92.7	Very high	73 Å²	73	94.9 Å²	94.9	28%	0.275	44%	0.436	S	S	.	.	H	α-helix	trans	-70.3	-45.6	173.4	-176.6	174.8	-178.9	144.8	-4.3	110.2	H221 Y250 Y251 E252 R257 L258	H221-R254 PolarHBondContact NE2-NH2 3.42Å; Y250-R254 HydrophobicContact CE1-CB 4.24Å; Y250-R254 WeakPolarHBondContact O-CB 3.39Å; Y250-R254 PolarHBondContact O-N 3.19Å; Y250-R254 PolarHBondContact OH-NH1 3.23Å; Y250-R254 VanDerWaalsContact OH-NH1 3.15Å; Y251-R254 WeakPolarHBondContact O-CB 3.48Å; Y251-R254 PolarHBondContact O-N 3.3Å; E252-R254 VanDerWaalsContact C-N 3.27Å; E252-R254 PolarHBondContact O-N 3.37Å; R254-R257 PolarHBondContact O-N 3.19Å; R254-L258 HydrophobicContact CG-CD1 4.12Å; R254-L258 HydrophobicContact CG-CG 4.47Å; R254-L258 WeakPolarHBondContact O-CG 3.47Å; R254-L258 PolarHBondContact O-N 3.4Å
255	Q	92.8	Very high	92.7	Very high	97 Å²	97	90.5 Å²	90.5	45%	0.453	42%	0.415	S	S	.	.	H	α-helix	trans	-60.7	-49	178.5	-168.8	56.6	41.7	0	0	111.4	Y251 E252 R257 L258 D259	Y251-Q255 PolarHBondContact O-N 3.03Å; E252-Q255 PolarHBondContact O-N 3.3Å; Q255-R257 PolarHBondContact O-N 2.85Å; Q255-L258 CarbonylContact O-C 3.57Å; Q255-L258 WeakPolarHBondContact O-CA 3.44Å; Q255-L258 WeakPolarHBondContact O-CB 3.48Å; Q255-L258 PolarHBondContact O-N 2.78Å; Q255-D259 PolarHBondContact NE2-OD1 3.08Å; Q255-D259 PolarHBondContact NE2-OD2 3.41Å; Q255-D259 VanDerWaalsContact O-CG 3.32Å; Q255-D259 PolarHBondContact O-N 2.97Å
256	K	93.3	Very high	92.8	Very high	147 Å²	147	86.3 Å²	86.3	64%	0.639	39%	0.394	S	S	*	.	H	α-helix	trans	-55.1	-38.1	174.7	-72.4	178.2	-179.7	175.8	0	113.1	E252 K260	E252-K256 WeakPolarHBondContact O-CG 3.32Å; E252-K256 PolarHBondContact O-N 3.03Å; K256-K260 VanDerWaalsContact O-CB 3.27Å; K256-K260 WeakPolarHBondContact O-CB 3.3Å; K256-K260 PolarHBondContact O-N 2.94Å
257	R	93.8	Very high	92.9	Very high	133 Å²	133	89 Å²	89	50%	0.502	41%	0.406	S	S	.	.	H	α-helix	trans	-71.6	-37.7	175.8	-75.7	-177.2	-65.1	151.3	1	112.4	R253 R254 Q255 N261	R253-R257 WeakPolarHBondContact O-CG 3.1Å; R253-R257 PolarHBondContact O-N 3.49Å; R253-R257 PolarHBondContact O-NE 3.28Å; R254-R257 PolarHBondContact O-N 3.19Å; Q255-R257 PolarHBondContact O-N 2.85Å; R257-N261 VanDerWaalsContact O-CB 3.29Å; R257-N261 WeakPolarHBondContact O-CB 3.28Å; R257-N261 PolarHBondContact O-N 2.84Å; R257-N261 PolarHBondContact O-ND2 3.12Å; R257-N261 VanDerWaalsContact O-ND2 3.08Å
258	L	92	Very high	92.9	Very high	94 Å²	94	91.4 Å²	91.4	49%	0.492	42%	0.419	S	S	.	.	H	α-helix	trans	-66.5	-42.6	175.9	-71.4	171.8	0	0	0	110.8	R254 Q255 N261 K262	R254-L258 HydrophobicContact CG-CD1 4.12Å; R254-L258 HydrophobicContact CG-CG 4.47Å; R254-L258 WeakPolarHBondContact O-CG 3.47Å; R254-L258 PolarHBondContact O-N 3.4Å; Q255-L258 CarbonylContact O-C 3.57Å; Q255-L258 WeakPolarHBondContact O-CA 3.44Å; Q255-L258 WeakPolarHBondContact O-CB 3.48Å; Q255-L258 PolarHBondContact O-N 2.78Å; L258-N261 CarbonylContact O-C 3.59Å; L258-N261 PolarHBondContact O-N 3.07Å; L258-K262 WeakPolarHBondContact O-CA 3.25Å; L258-K262 PolarHBondContact O-N 3.43Å
259	D	89.5	Confident	93	Very high	87 Å²	87	87.6 Å²	87.6	47%	0.465	40%	0.401	S	S	.	.	H	α-helix	trans	-66	-44.8	177.3	-63.1	-28.9	0	0	0	111.3	Q255 N261 K262	Q255-D259 PolarHBondContact NE2-OD1 3.08Å; Q255-D259 PolarHBondContact NE2-OD2 3.41Å; Q255-D259 VanDerWaalsContact O-CG 3.32Å; Q255-D259 PolarHBondContact O-N 2.97Å; D259-N261 VanDerWaalsContact C-N 3.28Å; D259-N261 PolarHBondContact O-N 3.45Å; D259-K262 VanDerWaalsContact O-CB 3.28Å; D259-K262 WeakPolarHBondContact O-CB 3.14Å; D259-K262 PolarHBondContact O-N 3.26Å
260	K	88.9	Confident	93.1	Very high	181 Å²	181	86.1 Å²	86.1	79%	0.787	40%	0.395	S	S	*	.	H	α-helix	trans	-61.1	-35.9	175.7	-177.1	175.8	179.4	177.5	0	112.8	K256	K256-K260 VanDerWaalsContact O-CB 3.27Å; K256-K260 WeakPolarHBondContact O-CB 3.3Å; K256-K260 PolarHBondContact O-N 2.94Å
261	N	90.1	Very high	93.1	Very high	123 Å²	123	91.8 Å²	91.8	66%	0.658	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.5	9.9	-179.1	-64.5	-37.1	0	0	0	112.9	R257 L258 D259	R257-N261 VanDerWaalsContact O-CB 3.29Å; R257-N261 WeakPolarHBondContact O-CB 3.28Å; R257-N261 PolarHBondContact O-N 2.84Å; R257-N261 PolarHBondContact O-ND2 3.12Å; R257-N261 VanDerWaalsContact O-ND2 3.08Å; L258-N261 CarbonylContact O-C 3.59Å; L258-N261 PolarHBondContact O-N 3.07Å; D259-N261 VanDerWaalsContact C-N 3.28Å; D259-N261 PolarHBondContact O-N 3.45Å
262	K	89.1	Confident	93.1	Very high	139 Å²	139	90.9 Å²	90.9	60%	0.604	43%	0.426	S	S	*	.	P	Polyproline II helix	trans	-60.8	129.1	-179.8	-172.1	176.6	-180	178.3	0	108.5	L258 D259 K264	L258-K262 WeakPolarHBondContact O-CA 3.25Å; L258-K262 PolarHBondContact O-N 3.43Å; D259-K262 VanDerWaalsContact O-CB 3.28Å; D259-K262 WeakPolarHBondContact O-CB 3.14Å; D259-K262 PolarHBondContact O-N 3.26Å; K262-K264 PolarHBondContact O-N 2.74Å
263	P	88.2	Confident	93.1	Very high	82 Å²	82	86.7 Å²	86.7	53%	0.532	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-62.9	128.9	179.1	25.3	-33.1	0	0	0	109.5	Q265	P263-Q265 PolarHBondContact O-N 2.87Å
264	K	91.6	Very high	93.2	Very high	123 Å²	123	81.6 Å²	81.6	54%	0.535	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-53.7	129.4	172.3	-70.9	-167.4	176.5	-165.2	0	110.5	K262 D268 F269	K262-K264 PolarHBondContact O-N 2.74Å; K264-D268 VanDerWaalsContact CA-OD2 3.3Å; K264-D268 WeakPolarHBondContact CA-OD2 3.32Å; K264-D268 HydrophobicContact CB-CB 4.15Å; K264-D268 HydrophobicContact CD-CB 4.46Å; K264-D268 HydrophobicContact CG-CB 4.35Å; K264-F269 HydrophobicContact CB-CD2 4.22Å; K264-F269 HydrophobicContact CB-CE2 3.57Å; K264-F269 HydrophobicContact CB-CZ 4.17Å; K264-F269 HydrophobicContact CD-CE2 4.32Å; K264-F269 HydrophobicContact CD-CZ 4.26Å
265	Q	94	Very high	93.3	Very high	55 Å²	55	82.1 Å²	82.1	26%	0.257	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-84	169.7	173.6	-63.7	-63	-20.5	0	0	110.6	P263 E267 D268 F269	P263-Q265 PolarHBondContact O-N 2.87Å; Q265-E267 VanDerWaalsContact C-N 3.26Å; Q265-E267 WeakPolarHBondContact CB-OE2 3.31Å; Q265-E267 PolarHBondContact O-N 2.74Å; Q265-D268 PolarHBondContact N-OD2 3.49Å; Q265-D268 WeakPolarHBondContact O-CB 3.49Å; Q265-D268 PolarHBondContact O-N 3.07Å; Q265-F269 VanDerWaalsContact O-CD2 3.29Å; Q265-F269 WeakPolarHBondContact O-CD2 3.44Å
266	I	95.9	Very high	93.4	Very high	0 Å²	0	81 Å²	81	0%	0	39%	0.391	C	S	.	.	H	α-helix	trans	-59.5	-39.9	179.3	-172.6	168.8	0	0	0	111.8	F84 L86 D268 F269 L270 L401 A405	F84-I266 HydrophobicContact CE1-CD1 4.26Å; L86-I266 HydrophobicContact CD1-CB 4.31Å; L86-I266 HydrophobicContact CD2-CB 4.34Å; L86-I266 HydrophobicContact CG-CB 4.37Å; I266-D268 VanDerWaalsContact C-N 3.29Å; I266-D268 PolarHBondContact O-N 2.83Å; I266-F269 PolarHBondContact O-N 3.13Å; I266-F269 VanDerWaalsContact O-N 3.15Å; I266-L270 HydrophobicContact CG1-CD1 4.02Å; I266-L270 HydrophobicContact CG1-CG 4.27Å; I266-L270 WeakPolarHBondContact O-CG 3.49Å; I266-L270 PolarHBondContact O-N 2.84Å; I266-L401 HydrophobicContact CD1-CB 3.74Å; I266-L401 HydrophobicContact CD1-CD2 3.94Å; I266-L401 HydrophobicContact CD1-CG 4.42Å; I266-L401 WeakPolarHBondContact CD1-O 3.46Å; I266-A405 HydrophobicContact CD1-CB 4.07Å; I266-A405 HydrophobicContact CG1-CB 4.3Å; I266-A405 HydrophobicContact CG2-CB 4.25Å
267	E	95.7	Very high	93.4	Very high	55 Å²	55	77.7 Å²	77.7	26%	0.257	40%	0.398	S	S	.	.	H	α-helix	trans	-60.4	-38.2	177.8	-63	74.9	-163.3	0	0	111.7	Q265 F269 L270 Q271 R408	Q265-E267 VanDerWaalsContact C-N 3.26Å; Q265-E267 WeakPolarHBondContact CB-OE2 3.31Å; Q265-E267 PolarHBondContact O-N 2.74Å; E267-F269 VanDerWaalsContact C-N 3.28Å; E267-F269 PolarHBondContact O-N 2.92Å; E267-L270 PolarHBondContact O-N 2.95Å; E267-Q271 VanDerWaalsContact O-CB 3.27Å; E267-Q271 WeakPolarHBondContact O-CB 3.36Å; E267-Q271 VanDerWaalsContact O-CG 3.22Å; E267-Q271 WeakPolarHBondContact O-CG 3.21Å; E267-Q271 PolarHBondContact O-N 3.11Å; E267-R408 WeakPolarHBondContact OE1-CD 3.37Å; E267-R408 IonicContact OE1-NE 2.89Å; E267-R408 IonicContact OE1-NH1 3.72Å; E267-R408 IonicContact OE2-NH1 3.9Å; E267-R408 PolarHBondContact OE2-NH1 3.41Å
268	D	94.9	Very high	93.4	Very high	70 Å²	70	76.2 Å²	76.2	37%	0.374	40%	0.397	S	S	.	.	H	α-helix	trans	-64.3	-32.9	178.9	-58.2	-41.9	0	0	0	112.3	K264 Q265 I266	K264-D268 VanDerWaalsContact CA-OD2 3.3Å; K264-D268 WeakPolarHBondContact CA-OD2 3.32Å; K264-D268 HydrophobicContact CB-CB 4.15Å; K264-D268 HydrophobicContact CD-CB 4.46Å; K264-D268 HydrophobicContact CG-CB 4.35Å; Q265-D268 PolarHBondContact N-OD2 3.49Å; Q265-D268 WeakPolarHBondContact O-CB 3.49Å; Q265-D268 PolarHBondContact O-N 3.07Å; I266-D268 VanDerWaalsContact C-N 3.29Å; I266-D268 PolarHBondContact O-N 2.83Å
269	F	96.8	Very high	93.6	Very high	22 Å²	22	73.1 Å²	73.1	10%	0.096	39%	0.387	C	S	.	.	H	α-helix	trans	-74.9	-47.1	174.8	-75.4	-87.7	0	0	0	110.8	L86 K91 L94 K95 K264 Q265 I266 E267 Q271 S272	L86-F269 HydrophobicContact CD1-CD2 3.67Å; L86-F269 HydrophobicContact CD1-CE2 3.64Å; K91-F269 HydrophobicContact CB-CZ 4.36Å; K91-F269 HydrophobicContact CD-CZ 4.4Å; K91-F269 HydrophobicContact CG-CE2 4.21Å; K91-F269 HydrophobicContact CG-CZ 4.01Å; L94-F269 HydrophobicContact CB-CB 4.09Å; L94-F269 HydrophobicContact CB-CD1 3.95Å; L94-F269 HydrophobicContact CB-CG 4.1Å; L94-F269 HydrophobicContact CD1-CB 3.87Å; L94-F269 HydrophobicContact CD1-CD1 4.46Å; L94-F269 HydrophobicContact CD1-CD2 4.03Å; L94-F269 HydrophobicContact CD1-CG 3.88Å; L94-F269 HydrophobicContact CD2-CB 4.41Å; L94-F269 HydrophobicContact CG-CB 4.35Å; K95-F269 HydrophobicContact CG-CE1 4.13Å; K264-F269 HydrophobicContact CB-CD2 4.22Å; K264-F269 HydrophobicContact CB-CE2 3.57Å; K264-F269 HydrophobicContact CB-CZ 4.17Å; K264-F269 HydrophobicContact CD-CE2 4.32Å; K264-F269 HydrophobicContact CD-CZ 4.26Å; Q265-F269 VanDerWaalsContact O-CD2 3.29Å; Q265-F269 WeakPolarHBondContact O-CD2 3.44Å; I266-F269 PolarHBondContact O-N 3.13Å; I266-F269 VanDerWaalsContact O-N 3.15Å; E267-F269 VanDerWaalsContact C-N 3.28Å; E267-F269 PolarHBondContact O-N 2.92Å; F269-Q271 PolarHBondContact O-N 2.89Å; F269-S272 PolarHBondContact O-N 3.3Å; F269-S272 VanDerWaalsContact O-N 3.13Å; F269-S272 PolarHBondContact O-OG 3.45Å
270	L	96.6	Very high	93.9	Very high	13 Å²	13	75.8 Å²	75.8	7%	0.068	40%	0.395	C	S	.	.	H	α-helix	trans	-67.4	-35.3	-176.7	-62.7	-179.1	0	0	0	112.6	L94 I266 E267 S272 E273 Y398 R402 A405	L94-L270 HydrophobicContact CD2-CD2 3.75Å; I266-L270 HydrophobicContact CG1-CD1 4.02Å; I266-L270 HydrophobicContact CG1-CG 4.27Å; I266-L270 WeakPolarHBondContact O-CG 3.49Å; I266-L270 PolarHBondContact O-N 2.84Å; E267-L270 PolarHBondContact O-N 2.95Å; L270-S272 PolarHBondContact O-N 2.85Å; L270-E273 WeakPolarHBondContact CD2-OE1 3.15Å; L270-E273 PolarHBondContact O-N 3.16Å; L270-Y398 HydrophobicContact CD2-CE2 4.32Å; L270-R402 HydrophobicContact CD2-CG 4.35Å; L270-A405 HydrophobicContact CD1-CB 3.46Å; L270-A405 VanDerWaalsContact CD1-CB 3.46Å
271	Q	94.9	Very high	94.4	Very high	147 Å²	147	69.1 Å²	69.1	69%	0.687	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-18.5	174.7	-72.5	174.7	-2.8	0	0	113.2	E267 F269	E267-Q271 VanDerWaalsContact O-CB 3.27Å; E267-Q271 WeakPolarHBondContact O-CB 3.36Å; E267-Q271 VanDerWaalsContact O-CG 3.22Å; E267-Q271 WeakPolarHBondContact O-CG 3.21Å; E267-Q271 PolarHBondContact O-N 3.11Å; F269-Q271 PolarHBondContact O-N 2.89Å
272	S	94.5	Very high	94.7	Very high	52 Å²	52	64.4 Å²	64.4	36%	0.364	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-12	176.5	72.7	0	0	0	0	113.5	Y98 F269 L270	Y98-S272 WeakPolarHBondContact CD2-O 2.91Å; Y98-S272 WeakPolarHBondContact CE2-O 2.95Å; F269-S272 PolarHBondContact O-N 3.3Å; F269-S272 VanDerWaalsContact O-N 3.13Å; F269-S272 PolarHBondContact O-OG 3.45Å; L270-S272 PolarHBondContact O-N 2.85Å
273	E	95.8	Very high	95.1	Very high	12 Å²	12	58.5 Å²	58.5	6%	0.056	32%	0.315	C	S	.	.	S	Bend	trans	-63.2	137.6	175.5	-64.2	-178.9	-172.1	0	0	110.2	L101 L270 I283 Y398 R402	L101-E273 HydrophobicContact CD1-CB 4.13Å; L101-E273 HydrophobicContact CD1-CG 4.18Å; L270-E273 WeakPolarHBondContact CD2-OE1 3.15Å; L270-E273 PolarHBondContact O-N 3.16Å; E273-I283 WeakPolarHBondContact OE2-CG2 3.47Å; E273-Y398 WeakPolarHBondContact OE1-CE2 3.38Å; E273-Y398 PolarHBondContact OE1-OH 2.85Å; E273-Y398 PolarHBondContact OE2-OH 2.94Å; E273-R402 IonicContact OE1-NH2 3.36Å; E273-R402 IonicContact OE2-CZ 2.73Å; E273-R402 IonicContact OE2-NH2 3.58Å; E273-R402 PolarHBondContact OE2-NH2 3.17Å
274	P	95.9	Very high	95.5	Very high	8 Å²	8	57.1 Å²	57.1	5%	0.052	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-65	138	-175.3	27.9	-35.8	0	0	0	111.4	L101 K102 E278 H281 F282	L101-P274 HydrophobicContact CB-CG 3.64Å; K102-P274 HydrophobicContact CD-CB 4.22Å; K102-P274 HydrophobicContact CD-CG 4.46Å; P274-E278 HydrophobicContact CB-CB 3.86Å; P274-H281 VanDerWaalsContact CG-O 3.26Å; P274-H281 WeakPolarHBondContact CG-O 3.39Å; P274-F282 WeakPolarHBondContact O-CB 3.43Å
275	N	94.5	Very high	95.8	Very high	84 Å²	84	51.6 Å²	51.6	45%	0.449	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-74.2	173.5	165	-56.6	-63	0	0	0	110.6	G277 E278	N275-G277 PolarHBondContact O-N 3.11Å; N275-G277 VanDerWaalsContact O-N 3.15Å; N275-E278 HydrophobicContact CB-CG 4.25Å; N275-E278 PolarHBondContact N-OE2 3.15Å; N275-E278 PolarHBondContact ND2-OE1 2.84Å; N275-E278 PolarHBondContact ND2-OE2 3.37Å; N275-E278 WeakPolarHBondContact O-CB 3.35Å; N275-E278 PolarHBondContact O-N 3.5Å
276	K	94.9	Very high	95.8	Very high	75 Å²	75	52 Å²	52	33%	0.326	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.8	121.1	174.1	-176.2	168.5	-176.5	160.1	0	110.7	P137 V138 F282	P137-K276 PolarHBondContact O-NZ 2.95Å; V138-K276 VanDerWaalsContact CA-NZ 3.29Å; V138-K276 VanDerWaalsContact N-NZ 3.19Å; K276-F282 HydrophobicContact CB-CD1 4.03Å; K276-F282 HydrophobicContact CB-CD2 4.25Å; K276-F282 HydrophobicContact CB-CE1 3.97Å; K276-F282 HydrophobicContact CB-CE2 4.2Å; K276-F282 HydrophobicContact CB-CG 4.17Å; K276-F282 HydrophobicContact CB-CZ 4.07Å; K276-F282 HydrophobicContact CD-CE1 4.05Å; K276-F282 HydrophobicContact CD-CZ 3.85Å; K276-F282 HydrophobicContact CG-CD1 4.16Å; K276-F282 HydrophobicContact CG-CE1 3.72Å; K276-F282 HydrophobicContact CG-CZ 3.97Å
277	G	93.9	Very high	95.7	Very high	77 Å²	77	52.1 Å²	52.1	79%	0.794	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.4	-7.3	-179.1	0	0	0	0	0	115.7	N275	N275-G277 PolarHBondContact O-N 3.11Å; N275-G277 VanDerWaalsContact O-N 3.15Å
278	E	94.8	Very high	95.6	Very high	102 Å²	102	50 Å²	50	48%	0.477	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-12.8	-179.4	-65.3	175.8	-177.9	0	0	113.8	K102 P274 N275	K102-E278 PolarHBondContact NZ-O 2.87Å; P274-E278 HydrophobicContact CB-CB 3.86Å; N275-E278 HydrophobicContact CB-CG 4.25Å; N275-E278 PolarHBondContact N-OE2 3.15Å; N275-E278 PolarHBondContact ND2-OE1 2.84Å; N275-E278 PolarHBondContact ND2-OE2 3.37Å; N275-E278 WeakPolarHBondContact O-CB 3.35Å; N275-E278 PolarHBondContact O-N 3.5Å
279	G	94.4	Very high	95.5	Very high	28 Å²	28	48.1 Å²	48.1	29%	0.289	26%	0.255	S	S	.	.	S	Bend	trans	-143.2	-179.4	-177.3	0	0	0	0	0	112.1	H281	G279-H281 VanDerWaalsContact C-N 3.26Å; G279-H281 PolarHBondContact O-N 2.94Å
280	K	97.2	Very high	95.2	Very high	144 Å²	144	47.7 Å²	47.7	63%	0.626	25%	0.254	S	S	*	.	S	Bend	trans	-61.1	-39.2	172.7	-175.9	72.4	179.5	179.4	0	111.5	L101 K102	L101-K280 PolarHBondContact O-N 2.96Å; K102-K280 PolarHBondContact O-N 3.2Å; K102-K280 VanDerWaalsContact O-N 3.09Å
281	H	97.9	Very high	94.5	Very high	40 Å²	40	49.9 Å²	49.9	19%	0.185	27%	0.271	C	S	.	.			trans	-136.7	165.5	175.7	-53.2	-75	0	0	0	110.7	F100 L101 P274 G279 L361 D362	F100-H281 AromaticContact CZ-CD2 3.99Å; L101-H281 CarbonylContact C-O 3.57Å; L101-H281 HydrophobicContact CD2-CB 3.9Å; L101-H281 PolarHBondContact O-N 3.4Å; P274-H281 VanDerWaalsContact CG-O 3.26Å; P274-H281 WeakPolarHBondContact CG-O 3.39Å; G279-H281 VanDerWaalsContact C-N 3.26Å; G279-H281 PolarHBondContact O-N 2.94Å; H281-L361 HydrophobicContact CB-CD1 3.83Å; H281-D362 WeakPolarHBondContact CA-OD1 3.44Å; H281-D362 VanDerWaalsContact CB-OD1 3.28Å; H281-D362 WeakPolarHBondContact CB-OD1 3.41Å; H281-D362 IonicContact CE1-OD2 3.62Å; H281-D362 IonicContact CG-OD1 3.63Å; H281-D362 IonicContact CG-OD2 3.8Å; H281-D362 IonicContact ND1-OD1 3.06Å; H281-D362 IonicContact ND1-OD2 2.66Å; H281-D362 PolarHBondContact ND1-OD2 2.9Å
282	F	97.7	Very high	93.6	Very high	25 Å²	25	45 Å²	45	11%	0.11	25%	0.253	C	S	.	.			trans	-134.7	161.3	165.6	71.4	-78.8	0	0	0	110.6	P274 K276 E284 D362	P274-F282 WeakPolarHBondContact O-CB 3.43Å; K276-F282 HydrophobicContact CB-CD1 4.03Å; K276-F282 HydrophobicContact CB-CD2 4.25Å; K276-F282 HydrophobicContact CB-CE1 3.97Å; K276-F282 HydrophobicContact CB-CE2 4.2Å; K276-F282 HydrophobicContact CB-CG 4.17Å; K276-F282 HydrophobicContact CB-CZ 4.07Å; K276-F282 HydrophobicContact CD-CE1 4.05Å; K276-F282 HydrophobicContact CD-CZ 3.85Å; K276-F282 HydrophobicContact CG-CD1 4.16Å; K276-F282 HydrophobicContact CG-CE1 3.72Å; K276-F282 HydrophobicContact CG-CZ 3.97Å; F282-E284 HydrophobicContact CE2-CB 4.2Å; F282-D362 HydrophobicContact CD1-CB 4.45Å; F282-D362 VanDerWaalsContact CE1-C 3.43Å; F282-D362 HydrophobicContact CE1-CB 4.11Å; F282-D362 WeakPolarHBondContact CE1-O 3.17Å; F282-D362 VanDerWaalsContact CZ-O 3.26Å; F282-D362 WeakPolarHBondContact CZ-O 3.34Å; F282-D362 PolarHBondContact N-OD1 3.47Å; F282-D362 PolarHBondContact O-N 3.45Å
283	I	97.9	Very high	92.3	Very high	15 Å²	15	46.5 Å²	46.5	8%	0.077	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	126.3	176.1	-165.4	75.2	0	0	0	110	L101 E273 I367	L101-I283 HydrophobicContact CD1-CB 4.11Å; L101-I283 HydrophobicContact CD1-CG2 3.82Å; L101-I283 HydrophobicContact CD2-CB 4.33Å; E273-I283 WeakPolarHBondContact OE2-CG2 3.47Å; I283-I367 HydrophobicContact CD1-CD1 3.86Å; I283-I367 HydrophobicContact CD1-CG1 4.24Å
284	E	96.8	Very high	91	Very high	53 Å²	53	50.6 Å²	50.6	25%	0.248	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	131.3	174.2	-169.8	-169.8	154.3	0	0	109.6	F282 R286 W360	F282-E284 HydrophobicContact CE2-CB 4.2Å; E284-R286 VanDerWaalsContact CD-NH2 3.3Å; E284-R286 HydrophobicContact CG-CG 4.44Å; E284-R286 IonicContact OE1-CZ 3.27Å; E284-R286 IonicContact OE1-NE 3.83Å; E284-R286 PolarHBondContact OE1-NE 3.48Å; E284-R286 IonicContact OE1-NH2 2.91Å; E284-R286 PolarHBondContact OE1-NH2 3.35Å; E284-R286 IonicContact OE2-CZ 3.88Å; E284-R286 IonicContact OE2-NE 2.8Å; E284-R286 IonicContact OE2-NH2 3.23Å; E284-R286 PolarHBondContact OE2-NH2 2.9Å; E284-W360 HydrophobicContact CB-CB 4.24Å; E284-W360 PolarHBondContact N-O 2.84Å; E284-W360 PolarHBondContact O-N 3.38Å
285	I	97.1	Very high	89.9	Confident	6 Å²	6	52.1 Å²	52.1	3%	0.031	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	120.7	179.7	-53.7	176.4	0	0	0	108.9	V144 Q357 Q358 Y359 R402	V144-I285 WeakPolarHBondContact CA-O 3.37Å; V144-I285 HydrophobicContact CG2-CB 4.06Å; V144-I285 HydrophobicContact CG2-CG2 3.8Å; V144-I285 PolarHBondContact N-O 3.42Å; I285-Q357 HydrophobicContact CG2-CG 3.62Å; I285-Q358 VanDerWaalsContact CA-O 3.31Å; I285-Q358 WeakPolarHBondContact CA-O 3.23Å; I285-Y359 HydrophobicContact CD1-CD1 4.09Å; I285-Y359 HydrophobicContact CD1-CE1 3.78Å; I285-Y359 HydrophobicContact CG1-CD1 3.95Å; I285-Y359 HydrophobicContact CG1-CE1 4.1Å; I285-R402 HydrophobicContact CD1-CG 4.23Å; I285-R402 VanDerWaalsContact CD1-CZ 3.46Å
286	R	94.6	Very high	89.1	Confident	64 Å²	64	56 Å²	56	24%	0.242	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	133.9	179.7	-58.7	-177.1	-176.2	153.8	7.6	109.8	E284 I288 Q358 G363	E284-R286 VanDerWaalsContact CD-NH2 3.3Å; E284-R286 HydrophobicContact CG-CG 4.44Å; E284-R286 IonicContact OE1-CZ 3.27Å; E284-R286 IonicContact OE1-NE 3.83Å; E284-R286 PolarHBondContact OE1-NE 3.48Å; E284-R286 IonicContact OE1-NH2 2.91Å; E284-R286 PolarHBondContact OE1-NH2 3.35Å; E284-R286 IonicContact OE2-CZ 3.88Å; E284-R286 IonicContact OE2-NE 2.8Å; E284-R286 IonicContact OE2-NH2 3.23Å; E284-R286 PolarHBondContact OE2-NH2 2.9Å; R286-I288 HydrophobicContact CB-CD1 4.12Å; R286-Q358 HydrophobicContact CB-CB 4.47Å; R286-Q358 PolarHBondContact N-O 3.35Å; R286-Q358 PolarHBondContact O-N 3.36Å; R286-G363 PolarHBondContact NH2-O 3.26Å
287	L	93.7	Very high	88.5	Confident	2 Å²	2	57 Å²	57	1%	0.01	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	107.2	177.5	-174.1	72.5	0	0	0	109.7	V144 A146 Y355 Q357 I372 Y406	V144-L287 HydrophobicContact CG1-CB 3.66Å; V144-L287 HydrophobicContact CG1-CD2 4.35Å; A146-L287 HydrophobicContact CB-CD2 4.48Å; L287-Y355 HydrophobicContact CD1-CD1 3.87Å; L287-Y355 HydrophobicContact CD1-CG 3.82Å; L287-Y355 HydrophobicContact CD2-CD1 3.88Å; L287-Y355 HydrophobicContact CD2-CE1 3.99Å; L287-Y355 HydrophobicContact CD2-CG 4.29Å; L287-Y355 HydrophobicContact CG-CD1 3.46Å; L287-Y355 VanDerWaalsContact CG-CD1 3.46Å; L287-Y355 HydrophobicContact CG-CE1 4.01Å; L287-Y355 HydrophobicContact CG-CG 3.94Å; L287-Q357 HydrophobicContact CD1-CB 4.14Å; L287-I372 HydrophobicContact CD1-CD1 3.86Å; L287-Y406 HydrophobicContact CD2-CE1 4.12Å; L287-Y406 VanDerWaalsContact CD2-OH 3.27Å; L287-Y406 WeakPolarHBondContact CD2-OH 3.46Å
288	I	92.8	Very high	88.2	Confident	10 Å²	10	54.4 Å²	54.4	5%	0.051	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	117.3	-173.2	-50.4	-55.5	0	0	0	109.6	R286 Y298 Y355 H356 Q358	R286-I288 HydrophobicContact CB-CD1 4.12Å; I288-Y298 HydrophobicContact CG2-CD2 3.96Å; I288-Y298 HydrophobicContact CG2-CE2 3.91Å; I288-Y355 CarbonylContact O-C 3.55Å; I288-Y355 VanDerWaalsContact O-CA 3.23Å; I288-Y355 WeakPolarHBondContact O-CA 3.42Å; I288-H356 PolarHBondContact N-O 3.18Å; I288-H356 PolarHBondContact O-N 3.47Å; I288-Q358 HydrophobicContact CG1-CG 4.35Å
289	R	92.2	Very high	87.9	Confident	31 Å²	31	55 Å²	55	12%	0.117	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	130.8	177.8	-166.9	174.8	-179.2	90	-1	109.9	S291 Y298 M351 F352 Y355	R289-S291 PolarHBondContact NE-OG 3.42Å; R289-S291 VanDerWaalsContact NE-OG 3.13Å; R289-Y298 WeakPolarHBondContact O-CE2 3.46Å; R289-M351 VanDerWaalsContact NE-CE 3.33Å; R289-M351 PolarHBondContact NH1-O 2.92Å; R289-M351 VanDerWaalsContact NH2-CE 3.28Å; R289-F352 PolarHBondContact NH1-O 2.8Å; R289-F352 PolarHBondContact NH2-O 2.91Å; R289-Y355 VanDerWaalsContact CA-CD1 3.43Å; R289-Y355 HydrophobicContact CB-CD1 3.88Å; R289-Y355 HydrophobicContact CB-CE1 3.53Å; R289-Y355 HydrophobicContact CG-CD1 4.35Å; R289-Y355 HydrophobicContact CG-CE1 3.88Å; R289-Y355 PolarHBondContact NH1-OH 2.72Å
290	T	92.1	Very high	87.7	Confident	13 Å²	13	57.5 Å²	57.5	8%	0.08	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-14.1	-175.5	68	0	0	0	0	114.1	Y298 V334 S354	T290-Y298 WeakPolarHBondContact CA-OH 3.45Å; T290-Y298 PolarHBondContact O-OH 3.5Å; T290-V334 VanDerWaalsContact CB-O 3.26Å; T290-V334 WeakPolarHBondContact CB-O 3.42Å; T290-V334 PolarHBondContact OG1-O 3.23Å; T290-S354 PolarHBondContact N-O 2.61Å; T290-S354 WeakPolarHBondContact OG1-CB 3.32Å
291	S	82	Confident	87.3	Confident	60 Å²	60	52.2 Å²	52.2	42%	0.42	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-3.2	-180	52.5	0	0	0	0	115.4	R289 P293	R289-S291 PolarHBondContact NE-OG 3.42Å; R289-S291 VanDerWaalsContact NE-OG 3.13Å; S291-P293 VanDerWaalsContact C-CD 3.49Å; S291-P293 VanDerWaalsContact O-CD 3.24Å; S291-P293 WeakPolarHBondContact O-CD 3.24Å
292	S	74.7	Confident	87.1	Confident	44 Å²	44	50.4 Å²	50.4	31%	0.308	27%	0.273	S	S	.	.			trans	-114.2	80.3	174.7	-75.4	0	0	0	0	111	T294	S292-T294 PolarHBondContact O-N 3.21Å; S292-T294 VanDerWaalsContact O-N 3.15Å
293	P	68.5	Low	86.9	Confident	84 Å²	84	53.8 Å²	53.8	55%	0.545	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	7.8	-178.1	33.2	-37.2	0	0	0	114.2	S291 D295 Y298	S291-P293 VanDerWaalsContact C-CD 3.49Å; S291-P293 VanDerWaalsContact O-CD 3.24Å; S291-P293 WeakPolarHBondContact O-CD 3.24Å; P293-D295 PolarHBondContact O-N 3.04Å; P293-Y298 HydrophobicContact CB-CD1 3.63Å; P293-Y298 HydrophobicContact CB-CE1 3.73Å; P293-Y298 HydrophobicContact CB-CG 4.3Å
294	T	67.4	Low	86.8	Confident	98 Å²	98	55.6 Å²	55.6	60%	0.601	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-8.3	-173.7	27.9	0	0	0	0	114.6	Q149 S292	Q149-T294 PolarHBondContact NE2-OG1 3.07Å; Q149-T294 VanDerWaalsContact OE1-CB 3.27Å; Q149-T294 PolarHBondContact OE1-OG1 3.03Å; S292-T294 PolarHBondContact O-N 3.21Å; S292-T294 VanDerWaalsContact O-N 3.15Å
295	D	73.3	Confident	86.7	Confident	39 Å²	39	53 Å²	53	21%	0.209	29%	0.286	C	S	.	.	S	Bend	trans	-77.8	127.8	173.3	179.4	-37.8	0	0	0	109.2	Q149 P293 D297 Y298 R301	Q149-D295 VanDerWaalsContact NE2-N 3.12Å; P293-D295 PolarHBondContact O-N 3.04Å; D295-D297 PolarHBondContact O-N 3.17Å; D295-D297 PolarHBondContact OD1-N 2.97Å; D295-Y298 WeakPolarHBondContact O-CB 3.3Å; D295-Y298 PolarHBondContact O-N 3.4Å; D295-R301 IonicContact OD1-CZ 3.79Å; D295-R301 IonicContact OD1-NH1 2.94Å; D295-R301 PolarHBondContact OD1-NH1 2.93Å; D295-R301 VanDerWaalsContact OD1-NH1 3.09Å; D295-R301 IonicContact OD1-NH2 2.69Å; D295-R301 PolarHBondContact OD1-NH2 3.06Å; D295-R301 VanDerWaalsContact OD1-NH2 3.07Å; D295-R301 IonicContact OD2-CZ 2.68Å; D295-R301 VanDerWaalsContact OD2-CZ 3.25Å; D295-R301 IonicContact OD2-NH1 2.81Å; D295-R301 PolarHBondContact OD2-NH1 3.36Å; D295-R301 IonicContact OD2-NH2 3.02Å; D295-R301 PolarHBondContact OD2-NH2 3.12Å
296	I	76.2	Confident	86.7	Confident	166 Å²	166	54 Å²	54	85%	0.851	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.1	-34.7	-175.5	-65	167.4	0	0	0	112.1
297	D	83.1	Confident	86.8	Confident	96 Å²	96	57.2 Å²	57.2	51%	0.513	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	5.7	-177.5	-73.5	-23.5	0	0	0	113.5	D295 E299 S300 R301	D295-D297 PolarHBondContact O-N 3.17Å; D295-D297 PolarHBondContact OD1-N 2.97Å; D297-E299 PolarHBondContact O-N 3.19Å; D297-S300 PolarHBondContact O-N 2.92Å; D297-R301 VanDerWaalsContact CB-NH1 3.31Å; D297-R301 WeakPolarHBondContact O-CG 3.35Å; D297-R301 PolarHBondContact O-N 3.22Å
298	Y	87.8	Confident	87	Confident	22 Å²	22	57.9 Å²	57.9	9%	0.086	31%	0.309	C	S	.	.	H	α-helix	trans	-55.8	-51.9	-177.3	178.7	-99.2	0	0	0	112.3	I288 R289 T290 P293 D295 S300 R301 I302	I288-Y298 HydrophobicContact CG2-CD2 3.96Å; I288-Y298 HydrophobicContact CG2-CE2 3.91Å; R289-Y298 WeakPolarHBondContact O-CE2 3.46Å; T290-Y298 WeakPolarHBondContact CA-OH 3.45Å; T290-Y298 PolarHBondContact O-OH 3.5Å; P293-Y298 HydrophobicContact CB-CD1 3.63Å; P293-Y298 HydrophobicContact CB-CE1 3.73Å; P293-Y298 HydrophobicContact CB-CG 4.3Å; D295-Y298 WeakPolarHBondContact O-CB 3.3Å; D295-Y298 PolarHBondContact O-N 3.4Å; Y298-S300 VanDerWaalsContact C-N 3.32Å; Y298-S300 PolarHBondContact O-N 2.85Å; Y298-R301 PolarHBondContact O-N 3.36Å; Y298-I302 HydrophobicContact CD1-CG1 4.2Å; Y298-I302 HydrophobicContact CD2-CG1 4.2Å; Y298-I302 HydrophobicContact CE1-CG1 3.79Å; Y298-I302 HydrophobicContact CE2-CD1 3.97Å; Y298-I302 HydrophobicContact CE2-CG1 3.77Å; Y298-I302 HydrophobicContact CG-CG1 4.39Å; Y298-I302 WeakPolarHBondContact O-CG1 3.25Å; Y298-I302 PolarHBondContact O-N 3.49Å
299	E	88.1	Confident	87.2	Confident	114 Å²	114	58.2 Å²	58.2	53%	0.533	31%	0.31	S	S	.	.	H	α-helix	trans	-61.3	-42.9	-176.9	-168.3	-175.6	155.1	0	0	111.7	D297 R301 I302 K303	D297-E299 PolarHBondContact O-N 3.19Å; E299-R301 PolarHBondContact O-N 3.09Å; E299-I302 PolarHBondContact O-N 2.97Å; E299-K303 HydrophobicContact CG-CD 4.27Å; E299-K303 WeakPolarHBondContact O-CB 3.28Å; E299-K303 WeakPolarHBondContact O-CG 3.37Å; E299-K303 PolarHBondContact O-N 3.06Å; E299-K303 VanDerWaalsContact OE1-CE 3.26Å; E299-K303 WeakPolarHBondContact OE1-CE 3.37Å; E299-K303 IonicContact OE1-NZ 3.21Å; E299-K303 PolarHBondContact OE1-NZ 2.86Å
300	S	90.2	Very high	87.4	Confident	82 Å²	82	58.4 Å²	58.4	57%	0.573	31%	0.312	S	S	*	.	H	α-helix	trans	-60.1	-45.2	176.6	-175.3	0	0	0	0	111.7	D297 Y298 K303 L304	D297-S300 PolarHBondContact O-N 2.92Å; Y298-S300 VanDerWaalsContact C-N 3.32Å; Y298-S300 PolarHBondContact O-N 2.85Å; S300-K303 PolarHBondContact O-N 3.08Å; S300-L304 PolarHBondContact O-N 3.45Å
301	R	89.1	Confident	87.6	Confident	33 Å²	33	61.6 Å²	61.6	13%	0.125	33%	0.326	C	S	.	.	H	α-helix	trans	-66.8	-38.2	178.7	-71.2	-175.3	-58.1	-112.2	-2.7	113.1	D295 D297 Y298 E299 L304 S305 W360	D295-R301 IonicContact OD1-CZ 3.79Å; D295-R301 IonicContact OD1-NH1 2.94Å; D295-R301 PolarHBondContact OD1-NH1 2.93Å; D295-R301 VanDerWaalsContact OD1-NH1 3.09Å; D295-R301 IonicContact OD1-NH2 2.69Å; D295-R301 PolarHBondContact OD1-NH2 3.06Å; D295-R301 VanDerWaalsContact OD1-NH2 3.07Å; D295-R301 IonicContact OD2-CZ 2.68Å; D295-R301 VanDerWaalsContact OD2-CZ 3.25Å; D295-R301 IonicContact OD2-NH1 2.81Å; D295-R301 PolarHBondContact OD2-NH1 3.36Å; D295-R301 IonicContact OD2-NH2 3.02Å; D295-R301 PolarHBondContact OD2-NH2 3.12Å; D297-R301 VanDerWaalsContact CB-NH1 3.31Å; D297-R301 WeakPolarHBondContact O-CG 3.35Å; D297-R301 PolarHBondContact O-N 3.22Å; Y298-R301 PolarHBondContact O-N 3.36Å; E299-R301 PolarHBondContact O-N 3.09Å; R301-L304 PolarHBondContact O-N 2.6Å; R301-S305 PolarHBondContact O-N 2.92Å; R301-S305 PolarHBondContact O-OG 3.49Å; R301-W360 HydrophobicContact CG-CZ2 4.46Å
302	I	93	Very high	88.2	Confident	2 Å²	2	59.9 Å²	59.9	1%	0.01	31%	0.311	C	S	.	.	H	α-helix	trans	-71.5	-36.9	176.6	-61.6	-60.8	0	0	0	110.7	Y298 E299 L304 S305 H306 W326 F329 V334	Y298-I302 HydrophobicContact CD1-CG1 4.2Å; Y298-I302 HydrophobicContact CD2-CG1 4.2Å; Y298-I302 HydrophobicContact CE1-CG1 3.79Å; Y298-I302 HydrophobicContact CE2-CD1 3.97Å; Y298-I302 HydrophobicContact CE2-CG1 3.77Å; Y298-I302 HydrophobicContact CG-CG1 4.39Å; Y298-I302 WeakPolarHBondContact O-CG1 3.25Å; Y298-I302 PolarHBondContact O-N 3.49Å; E299-I302 PolarHBondContact O-N 2.97Å; I302-L304 VanDerWaalsContact C-N 3.33Å; I302-L304 PolarHBondContact O-N 3.43Å; I302-S305 WeakPolarHBondContact O-CB 3.39Å; I302-S305 PolarHBondContact O-N 2.84Å; I302-S305 VanDerWaalsContact O-N 3.15Å; I302-H306 PolarHBondContact O-N 2.7Å; I302-W326 HydrophobicContact CB-CH2 4.25Å; I302-W326 HydrophobicContact CG2-CH2 3.62Å; I302-W326 HydrophobicContact CG2-CZ3 4Å; I302-F329 HydrophobicContact CG2-CE1 3.77Å; I302-V334 HydrophobicContact CG2-CG1 4.4Å; I302-V334 HydrophobicContact CG2-CG2 3.78Å
303	K	94.2	Very high	89.1	Confident	95 Å²	95	58.2 Å²	58.2	41%	0.413	30%	0.298	S	S	.	.	H	α-helix	trans	-60.5	-39.9	170.4	-79.7	173.9	168.8	167.2	0	112.2	E299 S300 S305 H306 K307 W326	E299-K303 HydrophobicContact CG-CD 4.27Å; E299-K303 WeakPolarHBondContact O-CB 3.28Å; E299-K303 WeakPolarHBondContact O-CG 3.37Å; E299-K303 PolarHBondContact O-N 3.06Å; E299-K303 VanDerWaalsContact OE1-CE 3.26Å; E299-K303 WeakPolarHBondContact OE1-CE 3.37Å; E299-K303 IonicContact OE1-NZ 3.21Å; E299-K303 PolarHBondContact OE1-NZ 2.86Å; S300-K303 PolarHBondContact O-N 3.08Å; K303-S305 VanDerWaalsContact C-N 3.34Å; K303-H306 WeakPolarHBondContact O-CB 3.45Å; K303-H306 PolarHBondContact O-N 3.36Å; K303-K307 PolarHBondContact O-N 3.15Å; K303-K307 VanDerWaalsContact O-N 3.14Å; K303-W326 HydrophobicContact CB-CZ3 4.39Å; K303-W326 HydrophobicContact CG-CH2 3.7Å; K303-W326 HydrophobicContact CG-CZ2 4.32Å; K303-W326 HydrophobicContact CG-CZ3 3.84Å
304	L	94.9	Very high	90.2	Very high	53 Å²	53	56.5 Å²	56.5	28%	0.277	28%	0.284	S	S	.	.	H	α-helix	trans	-63.7	-41.5	172.9	-174.4	62.9	0	0	0	111.6	S300 R301 I302 H306 K307 I308 W360 L366	S300-L304 PolarHBondContact O-N 3.45Å; R301-L304 PolarHBondContact O-N 2.6Å; I302-L304 VanDerWaalsContact C-N 3.33Å; I302-L304 PolarHBondContact O-N 3.43Å; L304-H306 VanDerWaalsContact C-N 3.3Å; L304-H306 PolarHBondContact O-N 3.22Å; L304-K307 WeakPolarHBondContact O-CB 3.14Å; L304-K307 PolarHBondContact O-N 3.46Å; L304-I308 PolarHBondContact O-N 2.94Å; L304-W360 HydrophobicContact CD2-CH2 3.39Å; L304-W360 HydrophobicContact CD2-CZ2 4.21Å; L304-W360 HydrophobicContact CD2-CZ3 3.78Å; L304-L366 HydrophobicContact CB-CD2 4.46Å; L304-L366 HydrophobicContact CD2-CB 3.62Å; L304-L366 HydrophobicContact CD2-CD2 4.09Å; L304-L366 HydrophobicContact CG-CB 4.06Å; L304-L366 HydrophobicContact CG-CD2 3.96Å
305	S	96.4	Very high	91.3	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-60.5	-40.1	175.2	-55.6	0	0	0	0	111.5	R301 I302 K303 K307 I308 Y309 Q358 F385	R301-S305 PolarHBondContact O-N 2.92Å; R301-S305 PolarHBondContact O-OG 3.49Å; I302-S305 WeakPolarHBondContact O-CB 3.39Å; I302-S305 PolarHBondContact O-N 2.84Å; I302-S305 VanDerWaalsContact O-N 3.15Å; K303-S305 VanDerWaalsContact C-N 3.34Å; S305-K307 PolarHBondContact O-N 3.09Å; S305-I308 PolarHBondContact O-N 2.83Å; S305-Y309 PolarHBondContact O-N 2.94Å; S305-Q358 PolarHBondContact OG-NE2 3.2Å; S305-Q358 VanDerWaalsContact OG-NE2 3.11Å; S305-F385 WeakPolarHBondContact O-CE2 3.47Å
306	H	97.3	Very high	92	Very high	27 Å²	27	56.1 Å²	56.1	13%	0.125	28%	0.275	C	S	.	.	H	α-helix	trans	-61.7	-42.2	175.2	175.5	-126.6	0	0	0	112.8	I302 K303 L304 I308 Y309 E310 C324 W326 F329	I302-H306 PolarHBondContact O-N 2.7Å; K303-H306 WeakPolarHBondContact O-CB 3.45Å; K303-H306 PolarHBondContact O-N 3.36Å; L304-H306 VanDerWaalsContact C-N 3.3Å; L304-H306 PolarHBondContact O-N 3.22Å; H306-I308 VanDerWaalsContact C-N 3.32Å; H306-I308 PolarHBondContact O-N 3.05Å; H306-Y309 WeakPolarHBondContact O-CB 3.39Å; H306-Y309 PolarHBondContact O-N 2.86Å; H306-Y309 VanDerWaalsContact O-N 3.16Å; H306-E310 PolarHBondContact O-N 2.87Å; H306-C324 PolarHBondContact NE2-O 3.26Å; H306-W326 HydrophobicContact CB-CE3 3.62Å; H306-W326 HydrophobicContact CB-CZ3 3.67Å; H306-W326 AromaticContact CG-CE3 3.61Å; H306-W326 AromaticContact ND1-CE3 3.63Å; H306-W326 PolarHBondContact NE2-N 2.92Å; H306-F329 HydrophobicContact CB-CD1 3.68Å; H306-F329 HydrophobicContact CB-CD2 4.49Å; H306-F329 HydrophobicContact CB-CE1 3.78Å; H306-F329 HydrophobicContact CB-CG 4.06Å; H306-F329 HydrophobicContact CB-CZ 4.25Å; H306-F329 VanDerWaalsContact CD2-CB 3.46Å; H306-F329 WeakPolarHBondContact CD2-CB 3.47Å; H306-F329 AromaticContact CD2-CG 3.61Å
307	K	96.7	Very high	92.3	Very high	130 Å²	130	51.9 Å²	51.9	57%	0.565	25%	0.251	S	S	*	.	H	α-helix	trans	-58.1	-44.1	175	-68.8	179.2	179.6	-178.1	0	111.9	K303 L304 S305 E310 Q311	K303-K307 PolarHBondContact O-N 3.15Å; K303-K307 VanDerWaalsContact O-N 3.14Å; L304-K307 WeakPolarHBondContact O-CB 3.14Å; L304-K307 PolarHBondContact O-N 3.46Å; S305-K307 PolarHBondContact O-N 3.09Å; K307-E310 PolarHBondContact O-N 3.09Å; K307-Q311 WeakPolarHBondContact O-CG 3.47Å; K307-Q311 PolarHBondContact O-N 2.92Å; K307-Q311 VanDerWaalsContact O-N 3.14Å
308	I	96.9	Very high	92.5	Very high	17 Å²	17	52.8 Å²	52.8	9%	0.087	26%	0.256	C	S	.	.	H	α-helix	trans	-65.6	-41.1	176.8	-56	-54.2	0	0	0	111	L304 S305 H306 Q311 Y312 L366 F385 Y386 D387	L304-I308 PolarHBondContact O-N 2.94Å; S305-I308 PolarHBondContact O-N 2.83Å; H306-I308 VanDerWaalsContact C-N 3.32Å; H306-I308 PolarHBondContact O-N 3.05Å; I308-Q311 PolarHBondContact O-N 2.86Å; I308-Y312 VanDerWaalsContact O-CB 3.26Å; I308-Y312 WeakPolarHBondContact O-CB 3.28Å; I308-Y312 PolarHBondContact O-N 2.86Å; I308-L366 WeakPolarHBondContact CD1-O 3.4Å; I308-L366 HydrophobicContact CG1-CD2 4.31Å; I308-L366 HydrophobicContact CG1-CG 4.34Å; I308-F385 HydrophobicContact CB-CD2 4.2Å; I308-F385 HydrophobicContact CB-CE2 4.28Å; I308-F385 HydrophobicContact CG2-CD2 3.97Å; I308-F385 HydrophobicContact CG2-CE2 4.46Å; I308-Y386 VanDerWaalsContact CG2-C 3.41Å; I308-D387 HydrophobicContact CD1-CB 4.25Å; I308-D387 HydrophobicContact CG2-CB 4.46Å
309	Y	97.1	Very high	92.5	Very high	16 Å²	16	54.4 Å²	54.4	6%	0.063	27%	0.266	C	S	.	.	H	α-helix	trans	-59.2	-48.4	175.7	165.2	-92.2	0	0	0	112.1	S305 H306 Q311 Y312 Q313 C324 F329 L333 Y383 F385	S305-Y309 PolarHBondContact O-N 2.94Å; H306-Y309 WeakPolarHBondContact O-CB 3.39Å; H306-Y309 PolarHBondContact O-N 2.86Å; H306-Y309 VanDerWaalsContact O-N 3.16Å; Y309-Q311 PolarHBondContact O-N 3.23Å; Y309-Y312 WeakPolarHBondContact O-CB 3.31Å; Y309-Y312 PolarHBondContact O-N 2.77Å; Y309-Q313 HydrophobicContact CD1-CG 4.33Å; Y309-Q313 HydrophobicContact CD2-CG 4.03Å; Y309-Q313 HydrophobicContact CE1-CG 3.89Å; Y309-Q313 HydrophobicContact CE2-CG 3.58Å; Y309-Q313 HydrophobicContact CG-CG 4.39Å; Y309-Q313 VanDerWaalsContact CZ-CG 3.48Å; Y309-Q313 WeakPolarHBondContact O-CG 3.32Å; Y309-Q313 PolarHBondContact O-N 2.78Å; Y309-C324 HydrophobicContact CE1-CB 4.26Å; Y309-F329 HydrophobicContact CD1-CB 4.28Å; Y309-F329 AromaticContact CD1-CD2 3.76Å; Y309-F329 HydrophobicContact CD1-CD2 3.76Å; Y309-F329 HydrophobicContact CD1-CG 4.41Å; Y309-F329 HydrophobicContact CD2-CD2 4.08Å; Y309-F329 HydrophobicContact CD2-CE2 4.49Å; Y309-F329 HydrophobicContact CE1-CB 4.35Å; Y309-F329 HydrophobicContact CE1-CD2 4.37Å; Y309-F329 AromaticContact CG-CD2 3.6Å; Y309-F329 HydrophobicContact CG-CD2 3.6Å; Y309-F329 HydrophobicContact CG-CE2 4.07Å; Y309-L333 HydrophobicContact CD2-CD1 3.49Å; Y309-L333 VanDerWaalsContact CD2-CD1 3.49Å; Y309-L333 HydrophobicContact CE2-CD1 3.59Å; Y309-L333 HydrophobicContact CG-CD1 4.38Å; Y309-Y383 HydrophobicContact CD2-CE1 4.5Å; Y309-Y383 HydrophobicContact CE2-CE1 4.41Å; Y309-F385 HydrophobicContact CD2-CD1 4.35Å; Y309-F385 HydrophobicContact CD2-CG 4.42Å
310	E	96.5	Very high	92.6	Very high	35 Å²	35	54.1 Å²	54.1	16%	0.164	27%	0.268	C	S	.	.	H	α-helix	trans	-57.5	-50.6	178.5	179.9	-174.7	-153	0	0	110.7	H306 K307 Y312 Q313 I314 K321 C324	H306-E310 PolarHBondContact O-N 2.87Å; K307-E310 PolarHBondContact O-N 3.09Å; E310-Y312 VanDerWaalsContact C-N 3.31Å; E310-Y312 PolarHBondContact O-N 3.19Å; E310-Q313 PolarHBondContact O-N 3.06Å; E310-I314 HydrophobicContact CG-CD1 3.79Å; E310-I314 VanDerWaalsContact O-CG1 3.29Å; E310-I314 WeakPolarHBondContact O-CG1 3.49Å; E310-I314 PolarHBondContact O-N 2.8Å; E310-I314 VanDerWaalsContact O-N 3.08Å; E310-K321 WeakPolarHBondContact OE1-CE 3.13Å; E310-K321 WeakPolarHBondContact OE1-CG 3.17Å; E310-C324 HydrophobicContact CB-CB 4.28Å; E310-C324 HydrophobicContact CG-CB 3.98Å
311	Q	95.5	Very high	92.5	Very high	81 Å²	81	56.4 Å²	56.4	38%	0.379	27%	0.268	S	S	.	.	H	α-helix	trans	-60	-42.3	177.4	-65.6	-59.1	-41.7	0	0	111.9	K307 I308 Y309 H315 P388	K307-Q311 WeakPolarHBondContact O-CG 3.47Å; K307-Q311 PolarHBondContact O-N 2.92Å; K307-Q311 VanDerWaalsContact O-N 3.14Å; I308-Q311 PolarHBondContact O-N 2.86Å; Y309-Q311 PolarHBondContact O-N 3.23Å; Q311-H315 WeakPolarHBondContact O-CB 3.4Å; Q311-H315 PolarHBondContact O-N 3.04Å; Q311-H315 PolarHBondContact O-ND1 3.41Å; Q311-H315 PolarHBondContact OE1-CE1 3.16Å; Q311-P388 HydrophobicContact CB-CG 4.46Å
312	Y	95.2	Very high	92.5	Very high	24 Å²	24	61.8 Å²	61.8	9%	0.094	29%	0.294	C	S	.	.	H	α-helix	trans	-62.9	-48.7	178.2	178	-95.3	0	0	0	112.4	I308 Y309 E310 I314 H315 I316 H317 F385 Y386	I308-Y312 VanDerWaalsContact O-CB 3.26Å; I308-Y312 WeakPolarHBondContact O-CB 3.28Å; I308-Y312 PolarHBondContact O-N 2.86Å; Y309-Y312 WeakPolarHBondContact O-CB 3.31Å; Y309-Y312 PolarHBondContact O-N 2.77Å; E310-Y312 VanDerWaalsContact C-N 3.31Å; E310-Y312 PolarHBondContact O-N 3.19Å; Y312-I314 PolarHBondContact O-N 3.31Å; Y312-H315 PolarHBondContact O-N 3.02Å; Y312-I316 HydrophobicContact CD2-CB 4.21Å; Y312-I316 HydrophobicContact CD2-CG1 3.67Å; Y312-I316 HydrophobicContact CE2-CB 3.97Å; Y312-I316 HydrophobicContact CE2-CG1 3.68Å; Y312-I316 HydrophobicContact CE2-CG2 3.99Å; Y312-I316 HydrophobicContact CG-CG1 4.37Å; Y312-I316 VanDerWaalsContact O-CB 3.23Å; Y312-I316 WeakPolarHBondContact O-CB 3.17Å; Y312-I316 PolarHBondContact O-N 3.14Å; Y312-H317 AromaticContact CE1-CD2 3.42Å; Y312-H317 VanDerWaalsContact CE1-CD2 3.42Å; Y312-H317 WeakPolarHBondContact CE1-CD2 3.36Å; Y312-H317 AromaticContact CE1-NE2 3.35Å; Y312-H317 WeakPolarHBondContact CE1-NE2 3.12Å; Y312-H317 AromaticContact CZ-NE2 3.67Å; Y312-H317 PolarHBondContact OH-NE2 2.89Å; Y312-F385 HydrophobicContact CD1-CB 3.57Å; Y312-F385 HydrophobicContact CD2-CB 4.3Å; Y312-F385 HydrophobicContact CE1-CB 4.15Å; Y312-F385 HydrophobicContact CG-CB 3.67Å; Y312-Y386 WeakPolarHBondContact CB-O 3.41Å; Y312-Y386 HydrophobicContact CD2-CD1 4.12Å; Y312-Y386 HydrophobicContact CD2-CD2 4.24Å; Y312-Y386 HydrophobicContact CD2-CE1 4.19Å; Y312-Y386 HydrophobicContact CD2-CE2 4.29Å; Y312-Y386 HydrophobicContact CD2-CG 4.15Å; Y312-Y386 WeakPolarHBondContact CD2-O 3.48Å; Y312-Y386 AromaticContact CE2-CD1 3.76Å; Y312-Y386 HydrophobicContact CE2-CD1 3.76Å; Y312-Y386 HydrophobicContact CE2-CD2 4.43Å; Y312-Y386 AromaticContact CE2-CE1 3.48Å; Y312-Y386 HydrophobicContact CE2-CE1 3.48Å; Y312-Y386 VanDerWaalsContact CE2-CE1 3.48Å; Y312-Y386 HydrophobicContact CE2-CE2 4.18Å; Y312-Y386 HydrophobicContact CE2-CG 4.24Å; Y312-Y386 AromaticContact CE2-CZ 3.69Å
313	Q	92.6	Very high	92.3	Very high	8 Å²	8	64.7 Å²	64.7	4%	0.037	31%	0.31	C	S	.	.	I	π-helix	trans	-61.5	-46.3	179.7	-66.9	-47.5	-33.6	0	0	111.6	Y309 E310 H315 H317 N318 D319 C324 Y383	Y309-Q313 HydrophobicContact CD1-CG 4.33Å; Y309-Q313 HydrophobicContact CD2-CG 4.03Å; Y309-Q313 HydrophobicContact CE1-CG 3.89Å; Y309-Q313 HydrophobicContact CE2-CG 3.58Å; Y309-Q313 HydrophobicContact CG-CG 4.39Å; Y309-Q313 VanDerWaalsContact CZ-CG 3.48Å; Y309-Q313 WeakPolarHBondContact O-CG 3.32Å; Y309-Q313 PolarHBondContact O-N 2.78Å; E310-Q313 PolarHBondContact O-N 3.06Å; Q313-H315 PolarHBondContact O-N 2.99Å; Q313-H317 CarbonylContact O-C 3.54Å; Q313-H317 VanDerWaalsContact O-CA 3.31Å; Q313-H317 WeakPolarHBondContact O-CA 3.44Å; Q313-H317 WeakPolarHBondContact O-CB 3.43Å; Q313-H317 PolarHBondContact O-N 3.28Å; Q313-H317 PolarHBondContact OE1-CD2 3.15Å; Q313-N318 PolarHBondContact O-N 2.94Å; Q313-D319 HydrophobicContact CB-CB 4.1Å; Q313-D319 PolarHBondContact O-N 3.01Å; Q313-D319 PolarHBondContact OE1-OD2 3.02Å; Q313-C324 WeakPolarHBondContact CB-SG 3.4Å; Q313-Y383 PolarHBondContact NE2-OH 3.07Å
314	I	92	Very high	92.2	Very high	49 Å²	49	60.2 Å²	60.2	25%	0.251	29%	0.291	S	S	.	.	I	π-helix	trans	-63.5	-44.7	-179.3	-65.6	168.5	0	0	0	111.1	E310 Y312 N318 K321	E310-I314 HydrophobicContact CG-CD1 3.79Å; E310-I314 VanDerWaalsContact O-CG1 3.29Å; E310-I314 WeakPolarHBondContact O-CG1 3.49Å; E310-I314 PolarHBondContact O-N 2.8Å; E310-I314 VanDerWaalsContact O-N 3.08Å; Y312-I314 PolarHBondContact O-N 3.31Å; I314-N318 VanDerWaalsContact O-CA 3.28Å; I314-N318 WeakPolarHBondContact O-CA 3.35Å; I314-N318 PolarHBondContact O-N 3.4Å; I314-K321 HydrophobicContact CD1-CB 4.17Å; I314-K321 HydrophobicContact CD1-CG 4.18Å
315	H	91.3	Very high	92.1	Very high	70 Å²	70	60.3 Å²	60.3	32%	0.324	29%	0.293	S	S	.	.	I	π-helix	trans	-87.9	-32.1	-171.3	-67.6	82.8	0	0	0	114.5	R127 Q311 Y312 Q313 P388	R127-H315 PolarHBondContact NH2-O 2.95Å; Q311-H315 WeakPolarHBondContact O-CB 3.4Å; Q311-H315 PolarHBondContact O-N 3.04Å; Q311-H315 PolarHBondContact O-ND1 3.41Å; Q311-H315 PolarHBondContact OE1-CE1 3.16Å; Y312-H315 PolarHBondContact O-N 3.02Å; Q313-H315 PolarHBondContact O-N 2.99Å; H315-P388 HydrophobicContact CB-CB 4.07Å; H315-P388 HydrophobicContact CB-CG 3.8Å
316	I	87.4	Confident	92.1	Very high	58 Å²	58	63 Å²	63	30%	0.297	30%	0.304	S	S	.	.	I	π-helix	trans	-98.5	-38.1	-175.6	-55.6	-59.4	0	0	0	111.3	Y312	Y312-I316 HydrophobicContact CD2-CB 4.21Å; Y312-I316 HydrophobicContact CD2-CG1 3.67Å; Y312-I316 HydrophobicContact CE2-CB 3.97Å; Y312-I316 HydrophobicContact CE2-CG1 3.68Å; Y312-I316 HydrophobicContact CE2-CG2 3.99Å; Y312-I316 HydrophobicContact CG-CG1 4.37Å; Y312-I316 VanDerWaalsContact O-CB 3.23Å; Y312-I316 WeakPolarHBondContact O-CB 3.17Å; Y312-I316 PolarHBondContact O-N 3.14Å
317	H	82.5	Confident	92	Very high	78 Å²	78	67.4 Å²	67.4	36%	0.361	32%	0.324	S	S	.	.	I	π-helix	trans	-100.9	-14.6	-178.3	-68.7	-73.4	0	0	0	113.8	Y312 Q313	Y312-H317 AromaticContact CE1-CD2 3.42Å; Y312-H317 VanDerWaalsContact CE1-CD2 3.42Å; Y312-H317 WeakPolarHBondContact CE1-CD2 3.36Å; Y312-H317 AromaticContact CE1-NE2 3.35Å; Y312-H317 WeakPolarHBondContact CE1-NE2 3.12Å; Y312-H317 AromaticContact CZ-NE2 3.67Å; Y312-H317 PolarHBondContact OH-NE2 2.89Å; Q313-H317 CarbonylContact O-C 3.54Å; Q313-H317 VanDerWaalsContact O-CA 3.31Å; Q313-H317 WeakPolarHBondContact O-CA 3.44Å; Q313-H317 WeakPolarHBondContact O-CB 3.43Å; Q313-H317 PolarHBondContact O-N 3.28Å; Q313-H317 PolarHBondContact OE1-CD2 3.15Å
318	N	87.5	Confident	91.8	Very high	114 Å²	114	64.9 Å²	64.9	61%	0.61	31%	0.311	S	S	*	.			trans	57.7	35.5	-173.2	-54	-32.8	0	0	0	112.1	Q313 I314	Q313-N318 PolarHBondContact O-N 2.94Å; I314-N318 VanDerWaalsContact O-CA 3.28Å; I314-N318 WeakPolarHBondContact O-CA 3.35Å; I314-N318 PolarHBondContact O-N 3.4Å
319	D	87.4	Confident	91.7	Very high	57 Å²	57	64 Å²	64	31%	0.305	31%	0.307	S	S	.	.			trans	-75.2	151.9	172.6	-71.1	6.7	0	0	0	109.9	Q313	Q313-D319 HydrophobicContact CB-CB 4.1Å; Q313-D319 PolarHBondContact O-N 3.01Å; Q313-D319 PolarHBondContact OE1-OD2 3.02Å
320	D	90	Very high	91.6	Very high	108 Å²	108	66.3 Å²	66.3	58%	0.578	32%	0.318	S	S	*	.			trans	-70.7	150.1	175.4	-67.3	-38.3	0	0	0	111.1	E322 D323 C324	D320-E322 PolarHBondContact O-N 3.5Å; D320-D323 WeakPolarHBondContact O-CB 3.33Å; D320-D323 PolarHBondContact O-N 2.91Å; D320-C324 PolarHBondContact O-SG 3.47Å; D320-C324 VanDerWaalsContact O-SG 3.38Å
321	K	88.9	Confident	91.5	Very high	130 Å²	130	70.6 Å²	70.6	57%	0.565	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-62.9	-34.7	-178.1	-171.9	179.4	-178	-176.6	0	111.3	E310 I314 D323 C324	E310-K321 WeakPolarHBondContact OE1-CE 3.13Å; E310-K321 WeakPolarHBondContact OE1-CG 3.17Å; I314-K321 HydrophobicContact CD1-CB 4.17Å; I314-K321 HydrophobicContact CD1-CG 4.18Å; K321-D323 PolarHBondContact O-N 3.21Å; K321-C324 WeakPolarHBondContact O-CB 3.49Å; K321-C324 PolarHBondContact O-N 3.14Å
322	E	89.6	Confident	91.4	Very high	145 Å²	145	69.6 Å²	69.6	68%	0.678	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-64.3	-25.5	177.2	-62.8	70.2	-153.6	0	0	112	D320 C324 T325	D320-E322 PolarHBondContact O-N 3.5Å; E322-C324 VanDerWaalsContact C-N 3.28Å; E322-T325 WeakPolarHBondContact O-CG2 3.21Å
323	D	88.4	Confident	91.5	Very high	64 Å²	64	69.2 Å²	69.2	34%	0.342	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-81.9	-8	174.2	-83.7	-40.2	0	0	0	113.2	D320 K321 R328	D320-D323 WeakPolarHBondContact O-CB 3.33Å; D320-D323 PolarHBondContact O-N 2.91Å; K321-D323 PolarHBondContact O-N 3.21Å; D323-R328 VanDerWaalsContact O-CD 3.22Å; D323-R328 WeakPolarHBondContact O-CD 3.4Å; D323-R328 PolarHBondContact O-NE 3.46Å; D323-R328 IonicContact OD1-CZ 3.73Å; D323-R328 IonicContact OD1-NH1 2.73Å; D323-R328 PolarHBondContact OD1-NH1 2.99Å
324	C	91.2	Very high	91.6	Very high	1 Å²	1	69.4 Å²	69.4	1%	0.007	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-103.7	26.2	-174.9	-61.3	0	0	0	0	113.3	H306 Y309 E310 Q313 D320 K321 E322	H306-C324 PolarHBondContact NE2-O 3.26Å; Y309-C324 HydrophobicContact CE1-CB 4.26Å; E310-C324 HydrophobicContact CB-CB 4.28Å; E310-C324 HydrophobicContact CG-CB 3.98Å; Q313-C324 WeakPolarHBondContact CB-SG 3.4Å; D320-C324 PolarHBondContact O-SG 3.47Å; D320-C324 VanDerWaalsContact O-SG 3.38Å; K321-C324 WeakPolarHBondContact O-CB 3.49Å; K321-C324 PolarHBondContact O-N 3.14Å; E322-C324 VanDerWaalsContact C-N 3.28Å
325	T	94.1	Very high	91.7	Very high	54 Å²	54	72 Å²	72	33%	0.331	34%	0.338	S	S	.	.			trans	-63.2	157.2	-175.1	89.1	0	0	0	0	114	E322 E327 R328 F329	E322-T325 WeakPolarHBondContact O-CG2 3.21Å; T325-E327 VanDerWaalsContact C-N 3.3Å; T325-E327 VanDerWaalsContact CB-OE2 3.28Å; T325-E327 WeakPolarHBondContact CB-OE2 3.32Å; T325-E327 PolarHBondContact O-N 3.41Å; T325-E327 PolarHBondContact OG1-N 3.3Å; T325-E327 PolarHBondContact OG1-OE2 3.01Å; T325-R328 PolarHBondContact O-N 3.23Å; T325-R328 PolarHBondContact OG1-N 3.14Å; T325-F329 WeakPolarHBondContact O-CB 3.48Å; T325-F329 PolarHBondContact O-N 3.31Å
326	W	95.5	Very high	91.9	Very high	56 Å²	56	70.1 Å²	70.1	21%	0.212	33%	0.333	C	S	.	.	H	α-helix	trans	-57.2	-42.1	175.8	170.7	-108.9	0	0	0	112.2	I302 K303 H306 R328 F329 Q330	I302-W326 HydrophobicContact CB-CH2 4.25Å; I302-W326 HydrophobicContact CG2-CH2 3.62Å; I302-W326 HydrophobicContact CG2-CZ3 4Å; K303-W326 HydrophobicContact CB-CZ3 4.39Å; K303-W326 HydrophobicContact CG-CH2 3.7Å; K303-W326 HydrophobicContact CG-CZ2 4.32Å; K303-W326 HydrophobicContact CG-CZ3 3.84Å; H306-W326 HydrophobicContact CB-CE3 3.62Å; H306-W326 HydrophobicContact CB-CZ3 3.67Å; H306-W326 AromaticContact CG-CE3 3.61Å; H306-W326 AromaticContact ND1-CE3 3.63Å; H306-W326 PolarHBondContact NE2-N 2.92Å; W326-R328 PolarHBondContact O-N 3.23Å; W326-F329 HydrophobicContact CE3-CD1 4.05Å; W326-F329 AromaticContact CZ3-CD1 4Å; W326-F329 HydrophobicContact CZ3-CD1 4Å; W326-F329 HydrophobicContact CZ3-CE1 4.12Å; W326-F329 WeakPolarHBondContact O-CB 3.2Å; W326-F329 PolarHBondContact O-N 2.9Å; W326-Q330 HydrophobicContact CD2-CG 4.02Å; W326-Q330 HydrophobicContact CE3-CG 4.45Å; W326-Q330 HydrophobicContact CH2-CG 4.27Å; W326-Q330 VanDerWaalsContact CZ2-CD 3.49Å; W326-Q330 HydrophobicContact CZ2-CG 3.78Å; W326-Q330 VanDerWaalsContact NE1-CD 3.29Å; W326-Q330 WeakPolarHBondContact O-CB 3.25Å; W326-Q330 WeakPolarHBondContact O-CG 3.4Å; W326-Q330 PolarHBondContact O-N 2.89Å
327	E	94.8	Very high	92.4	Very high	120 Å²	120	67.6 Å²	67.6	56%	0.561	32%	0.32	S	S	*	.	H	α-helix	trans	-65.6	-41.1	-178.6	-58.8	67.6	-143.8	0	0	110.9	T325 Q330 R331	T325-E327 VanDerWaalsContact C-N 3.3Å; T325-E327 VanDerWaalsContact CB-OE2 3.28Å; T325-E327 WeakPolarHBondContact CB-OE2 3.32Å; T325-E327 PolarHBondContact O-N 3.41Å; T325-E327 PolarHBondContact OG1-N 3.3Å; T325-E327 PolarHBondContact OG1-OE2 3.01Å; E327-Q330 PolarHBondContact O-N 3.01Å; E327-R331 VanDerWaalsContact O-CB 3.22Å; E327-R331 WeakPolarHBondContact O-CB 3.48Å; E327-R331 PolarHBondContact O-N 3.09Å
328	R	93.1	Very high	93.1	Very high	77 Å²	77	64.2 Å²	64.2	29%	0.291	31%	0.305	S	S	.	.	H	α-helix	trans	-68.2	-42.3	177.5	-175.3	161.1	167.4	177.6	-0.9	111.2	D323 T325 W326 R331 F332	D323-R328 VanDerWaalsContact O-CD 3.22Å; D323-R328 WeakPolarHBondContact O-CD 3.4Å; D323-R328 PolarHBondContact O-NE 3.46Å; D323-R328 IonicContact OD1-CZ 3.73Å; D323-R328 IonicContact OD1-NH1 2.73Å; D323-R328 PolarHBondContact OD1-NH1 2.99Å; T325-R328 PolarHBondContact O-N 3.23Å; T325-R328 PolarHBondContact OG1-N 3.14Å; W326-R328 PolarHBondContact O-N 3.23Å; R328-R331 PolarHBondContact O-N 2.64Å; R328-F332 HydrophobicContact CG-CD2 3.55Å; R328-F332 HydrophobicContact CG-CE2 3.44Å; R328-F332 VanDerWaalsContact CG-CE2 3.44Å; R328-F332 HydrophobicContact CG-CZ 4.44Å; R328-F332 WeakPolarHBondContact O-CB 3.24Å; R328-F332 WeakPolarHBondContact O-CD2 3.39Å; R328-F332 PolarHBondContact O-N 3.23Å
329	F	96	Very high	93.4	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-58.1	-50.5	172.3	171.8	-100.1	0	0	0	111.6	I302 H306 Y309 T325 W326 R331 F332 L333 V334 F385	I302-F329 HydrophobicContact CG2-CE1 3.77Å; H306-F329 HydrophobicContact CB-CD1 3.68Å; H306-F329 HydrophobicContact CB-CD2 4.49Å; H306-F329 HydrophobicContact CB-CE1 3.78Å; H306-F329 HydrophobicContact CB-CG 4.06Å; H306-F329 HydrophobicContact CB-CZ 4.25Å; H306-F329 VanDerWaalsContact CD2-CB 3.46Å; H306-F329 WeakPolarHBondContact CD2-CB 3.47Å; H306-F329 AromaticContact CD2-CG 3.61Å; Y309-F329 HydrophobicContact CD1-CB 4.28Å; Y309-F329 AromaticContact CD1-CD2 3.76Å; Y309-F329 HydrophobicContact CD1-CD2 3.76Å; Y309-F329 HydrophobicContact CD1-CG 4.41Å; Y309-F329 HydrophobicContact CD2-CD2 4.08Å; Y309-F329 HydrophobicContact CD2-CE2 4.49Å; Y309-F329 HydrophobicContact CE1-CB 4.35Å; Y309-F329 HydrophobicContact CE1-CD2 4.37Å; Y309-F329 AromaticContact CG-CD2 3.6Å; Y309-F329 HydrophobicContact CG-CD2 3.6Å; Y309-F329 HydrophobicContact CG-CE2 4.07Å; T325-F329 WeakPolarHBondContact O-CB 3.48Å; T325-F329 PolarHBondContact O-N 3.31Å; W326-F329 HydrophobicContact CE3-CD1 4.05Å; W326-F329 AromaticContact CZ3-CD1 4Å; W326-F329 HydrophobicContact CZ3-CD1 4Å; W326-F329 HydrophobicContact CZ3-CE1 4.12Å; W326-F329 WeakPolarHBondContact O-CB 3.2Å; W326-F329 PolarHBondContact O-N 2.9Å; F329-R331 PolarHBondContact O-N 3.5Å; F329-F332 PolarHBondContact O-N 2.89Å; F329-L333 HydrophobicContact CD2-CB 4.24Å; F329-L333 HydrophobicContact CD2-CD1 3.86Å; F329-L333 HydrophobicContact CD2-CG 4.5Å; F329-L333 HydrophobicContact CE2-CB 4.12Å; F329-L333 HydrophobicContact CE2-CD1 3.91Å; F329-L333 WeakPolarHBondContact O-CB 3.42Å; F329-L333 PolarHBondContact O-N 3.2Å; F329-V334 HydrophobicContact CD1-CG2 3.96Å; F329-V334 HydrophobicContact CE1-CG2 3.51Å; F329-V334 HydrophobicContact CZ-CG2 4.04Å; F329-F385 HydrophobicContact CE2-CE1 4.23Å; F329-F385 AromaticContact CE2-CZ 3.84Å; F329-F385 HydrophobicContact CE2-CZ 3.84Å; F329-F385 HydrophobicContact CZ-CZ 4.3Å
330	Q	94.9	Very high	93.5	Very high	63 Å²	63	59.5 Å²	59.5	29%	0.294	28%	0.28	S	S	.	.	I	π-helix	trans	-59.7	-47.2	177.6	-75.9	-163.4	-60.8	0	0	111.5	W326 E327 F332 V334 K335	W326-Q330 HydrophobicContact CD2-CG 4.02Å; W326-Q330 HydrophobicContact CE3-CG 4.45Å; W326-Q330 HydrophobicContact CH2-CG 4.27Å; W326-Q330 VanDerWaalsContact CZ2-CD 3.49Å; W326-Q330 HydrophobicContact CZ2-CG 3.78Å; W326-Q330 VanDerWaalsContact NE1-CD 3.29Å; W326-Q330 WeakPolarHBondContact O-CB 3.25Å; W326-Q330 WeakPolarHBondContact O-CG 3.4Å; W326-Q330 PolarHBondContact O-N 2.89Å; E327-Q330 PolarHBondContact O-N 3.01Å; Q330-F332 VanDerWaalsContact C-N 3.33Å; Q330-F332 PolarHBondContact O-N 2.8Å; Q330-V334 WeakPolarHBondContact O-CB 3.26Å; Q330-V334 PolarHBondContact O-N 3.04Å; Q330-V334 VanDerWaalsContact O-N 3.16Å; Q330-K335 PolarHBondContact O-N 3.25Å
331	R	94.1	Very high	93.4	Very high	125 Å²	125	55.8 Å²	55.8	47%	0.472	26%	0.26	S	S	.	.	I	π-helix	trans	-60	-41.1	-178.7	-178	176.8	64.7	-163	-2.6	112.5	G59 E327 R328 F329	G59-R331 WeakPolarHBondContact CA-O 3.26Å; E327-R331 VanDerWaalsContact O-CB 3.22Å; E327-R331 WeakPolarHBondContact O-CB 3.48Å; E327-R331 PolarHBondContact O-N 3.09Å; R328-R331 PolarHBondContact O-N 2.64Å; F329-R331 PolarHBondContact O-N 3.5Å
332	F	93.3	Very high	92.8	Very high	61 Å²	61	53.1 Å²	53.1	27%	0.268	25%	0.253	S	S	.	.	I	π-helix	trans	-95.7	-32.2	-172	-65.3	-31	0	0	0	114.7	G59 R328 F329 Q330	G59-F332 PolarHBondContact N-O 2.95Å; R328-F332 HydrophobicContact CG-CD2 3.55Å; R328-F332 HydrophobicContact CG-CE2 3.44Å; R328-F332 VanDerWaalsContact CG-CE2 3.44Å; R328-F332 HydrophobicContact CG-CZ 4.44Å; R328-F332 WeakPolarHBondContact O-CB 3.24Å; R328-F332 WeakPolarHBondContact O-CD2 3.39Å; R328-F332 PolarHBondContact O-N 3.23Å; F329-F332 PolarHBondContact O-N 2.89Å; Q330-F332 VanDerWaalsContact C-N 3.33Å; Q330-F332 PolarHBondContact O-N 2.8Å
333	L	95.8	Very high	91.7	Very high	16 Å²	16	52.6 Å²	52.6	8%	0.084	25%	0.248	C	C	.	.	I	π-helix	trans	-118.4	-13.7	-169.7	-59.7	-177	0	0	0	113.9	Y309 F329 H356 V371 Y383 F385	Y309-L333 HydrophobicContact CD2-CD1 3.49Å; Y309-L333 VanDerWaalsContact CD2-CD1 3.49Å; Y309-L333 HydrophobicContact CE2-CD1 3.59Å; Y309-L333 HydrophobicContact CG-CD1 4.38Å; F329-L333 HydrophobicContact CD2-CB 4.24Å; F329-L333 HydrophobicContact CD2-CD1 3.86Å; F329-L333 HydrophobicContact CD2-CG 4.5Å; F329-L333 HydrophobicContact CE2-CB 4.12Å; F329-L333 HydrophobicContact CE2-CD1 3.91Å; F329-L333 WeakPolarHBondContact O-CB 3.42Å; F329-L333 PolarHBondContact O-N 3.2Å; L333-H356 PolarHBondContact O-NE2 3.24Å; L333-V371 HydrophobicContact CB-CG2 4.3Å; L333-V371 HydrophobicContact CD2-CG2 4.27Å; L333-Y383 HydrophobicContact CD1-CD1 3.95Å; L333-Y383 HydrophobicContact CD1-CE1 4.44Å; L333-Y383 HydrophobicContact CD2-CD1 3.94Å; L333-Y383 HydrophobicContact CD2-CG 4.09Å; L333-F385 HydrophobicContact CD1-CD1 4.18Å; L333-F385 HydrophobicContact CD1-CE1 3.91Å
334	V	95.2	Very high	90.5	Very high	11 Å²	11	57 Å²	57	7%	0.067	27%	0.267	C	S	.	.	I	π-helix	trans	-110.4	-56.2	-179.1	-174.6	0	0	0	0	111.6	T290 I302 F329 Q330 S336	T290-V334 VanDerWaalsContact CB-O 3.26Å; T290-V334 WeakPolarHBondContact CB-O 3.42Å; T290-V334 PolarHBondContact OG1-O 3.23Å; I302-V334 HydrophobicContact CG2-CG1 4.4Å; I302-V334 HydrophobicContact CG2-CG2 3.78Å; F329-V334 HydrophobicContact CD1-CG2 3.96Å; F329-V334 HydrophobicContact CE1-CG2 3.51Å; F329-V334 HydrophobicContact CZ-CG2 4.04Å; Q330-V334 WeakPolarHBondContact O-CB 3.26Å; Q330-V334 PolarHBondContact O-N 3.04Å; Q330-V334 VanDerWaalsContact O-N 3.16Å; V334-S336 PolarHBondContact O-N 2.62Å
335	K	94.7	Very high	89.5	Confident	105 Å²	105	59.3 Å²	59.3	46%	0.457	28%	0.275	S	S	.	.			trans	-58.4	134.9	-179.8	-71.4	-171.1	178.9	-173.8	0	109.9	G59 Q330	G59-K335 WeakPolarHBondContact CA-O 3.26Å; Q330-K335 PolarHBondContact O-N 3.25Å
336	S	96.2	Very high	87.9	Confident	30 Å²	30	63 Å²	63	21%	0.21	29%	0.293	C	S	.	.			trans	-137.7	135.6	179.5	-174.9	0	0	0	0	110.3	V334 L338 S354	V334-S336 PolarHBondContact O-N 2.62Å; S336-L338 WeakPolarHBondContact OG-CB 3.33Å; S336-L338 WeakPolarHBondContact OG-CG 3.5Å; S336-L338 PolarHBondContact OG-N 3.08Å; S336-S354 VanDerWaalsContact CB-OG 3.29Å; S336-S354 WeakPolarHBondContact CB-OG 3.16Å; S336-S354 PolarHBondContact OG-OG 3.3Å
337	P	96.5	Very high	86.7	Confident	5 Å²	5	61.9 Å²	61.9	3%	0.032	29%	0.293	C	S	.	.			trans	-83.1	-3.7	171.7	36.3	-35.3	0	0	0	112	A39 L42 G59 T60 V339	A39-P337 HydrophobicContact CB-CB 3.83Å; A39-P337 HydrophobicContact CB-CG 4.05Å; A39-P337 WeakPolarHBondContact O-CB 3.36Å; L42-P337 HydrophobicContact CB-CB 3.95Å; L42-P337 HydrophobicContact CB-CG 4.01Å; L42-P337 HydrophobicContact CD2-CG 4.33Å; L42-P337 PolarHBondContact N-O 2.73Å; G59-P337 VanDerWaalsContact O-CD 3.31Å; G59-P337 WeakPolarHBondContact O-CD 3.14Å; T60-P337 HydrophobicContact CG2-CB 4.27Å; P337-V339 PolarHBondContact O-N 2.62Å
338	L	96.8	Very high	86.1	Confident	7 Å²	7	60.6 Å²	60.6	4%	0.037	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	123.2	-170.2	-62.9	-172.9	0	0	0	112	L42 V44 Y47 S336 D373 L375	L42-L338 HydrophobicContact CB-CD2 4.32Å; L42-L338 HydrophobicContact CD2-CD2 4.07Å; L42-L338 HydrophobicContact CG-CD2 4.24Å; L42-L338 VanDerWaalsContact O-CA 3.26Å; L42-L338 WeakPolarHBondContact O-CA 3.33Å; V44-L338 HydrophobicContact CG1-CB 4.24Å; Y47-L338 HydrophobicContact CD1-CD1 4.11Å; Y47-L338 HydrophobicContact CD1-CD2 3.66Å; Y47-L338 HydrophobicContact CD1-CG 4.5Å; Y47-L338 HydrophobicContact CG-CD2 3.79Å; S336-L338 WeakPolarHBondContact OG-CB 3.33Å; S336-L338 WeakPolarHBondContact OG-CG 3.5Å; S336-L338 PolarHBondContact OG-N 3.08Å; L338-D373 HydrophobicContact CD1-CB 4.06Å; L338-L375 HydrophobicContact CD1-CD2 4.05Å
339	V	93.8	Very high	85.8	Confident	35 Å²	35	56.9 Å²	56.9	21%	0.212	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	155.9	176.4	-63.1	0	0	0	0	109.8	R41 L42 T43 V44 P337	R41-V339 HydrophobicContact CG-CG1 4.27Å; R41-V339 HydrophobicContact CG-CG2 3.65Å; L42-V339 PolarHBondContact O-N 3.33Å; T43-V339 CarbonylContact C-O 3.55Å; T43-V339 WeakPolarHBondContact CA-O 3.5Å; T43-V339 HydrophobicContact CG2-CG2 4.26Å; V44-V339 WeakPolarHBondContact CG1-O 3.39Å; V44-V339 PolarHBondContact N-O 3.33Å; P337-V339 PolarHBondContact O-N 2.62Å
340	L	90.8	Very high	85.5	Confident	36 Å²	36	57.1 Å²	57.1	19%	0.188	28%	0.281	C	S	.	.			trans	-67.6	152.6	171.5	-67.7	-175.2	0	0	0	111.4	N6 V44 W345 M351 F352	N6-L340 PolarHBondContact ND2-O 2.85Å; V44-L340 HydrophobicContact CG2-CD2 4.34Å; L340-W345 HydrophobicContact CD1-CB 3.76Å; L340-W345 HydrophobicContact CD1-CD2 4.37Å; L340-W345 HydrophobicContact CD1-CE3 3.95Å; L340-W345 HydrophobicContact CD1-CG 4.32Å; L340-W345 HydrophobicContact CD2-CE3 4.32Å; L340-M351 HydrophobicContact CD1-CG 3.7Å; L340-M351 HydrophobicContact CD1-SD 3.36Å; L340-M351 WeakPolarHBondContact CD1-SD 3.26Å; L340-M351 HydrophobicContact CD2-CG 3.82Å; L340-M351 HydrophobicContact CD2-SD 4.49Å; L340-M351 HydrophobicContact CG-CG 3.96Å; L340-M351 HydrophobicContact CG-SD 3.96Å; L340-F352 HydrophobicContact CD2-CB 3.95Å
341	D	87.3	Confident	85.3	Confident	30 Å²	30	56.4 Å²	56.4	16%	0.16	28%	0.279	C	S	.	.			trans	-65.4	-172.7	163.1	-56.8	-74.6	0	0	0	110.3	T43 V44 S45 F343	T43-D341 VanDerWaalsContact CB-OD1 3.27Å; T43-D341 WeakPolarHBondContact CB-OD1 3.39Å; T43-D341 PolarHBondContact OG1-OD1 3.41Å; V44-D341 WeakPolarHBondContact CG2-OD2 3.41Å; S45-D341 VanDerWaalsContact CB-OD1 3.23Å; S45-D341 WeakPolarHBondContact CB-OD1 3.46Å; S45-D341 VanDerWaalsContact CB-OD2 3.31Å; S45-D341 WeakPolarHBondContact CB-OD2 3.28Å; S45-D341 PolarHBondContact N-OD2 2.95Å; S45-D341 VanDerWaalsContact OG-CG 3.23Å; S45-D341 PolarHBondContact OG-OD1 3.07Å; S45-D341 PolarHBondContact OG-OD2 3.34Å; D341-F343 HydrophobicContact CB-CD2 3.72Å; D341-F343 HydrophobicContact CB-CE2 3.78Å; D341-F343 PolarHBondContact O-N 3.28Å
342	D	76.3	Confident	85.3	Confident	75 Å²	75	50.6 Å²	50.6	40%	0.401	26%	0.257	S	S	.	.	S	Bend	trans	-72.6	20	-176.6	-74.8	-32.4	0	0	0	115.7	T5 N6 K548	T5-D342 PolarHBondContact OG1-OD2 3.4Å; N6-D342 WeakPolarHBondContact CB-OD1 3.34Å; N6-D342 WeakPolarHBondContact CB-OD2 3.08Å; N6-D342 PolarHBondContact ND2-OD1 3.3Å; D342-K548 IonicContact OD1-NZ 2.73Å; D342-K548 PolarHBondContact OD1-NZ 3.01Å
343	F	67	Low	85.4	Confident	134 Å²	134	47.7 Å²	47.7	59%	0.588	24%	0.244	S	C	*	.			trans	-92	134.6	179.1	-53.5	-73	0	0	0	110.9	D341 W345 L425	D341-F343 HydrophobicContact CB-CD2 3.72Å; D341-F343 HydrophobicContact CB-CE2 3.78Å; D341-F343 PolarHBondContact O-N 3.28Å; F343-W345 PolarHBondContact O-N 2.9Å; F343-L425 HydrophobicContact CD2-CD2 4.22Å; F343-L425 HydrophobicContact CG-CD2 4.45Å
344	E	63.9	Low	85.5	Confident	157 Å²	157	47.1 Å²	47.1	73%	0.734	24%	0.241	S	C	*	.			trans	-66.1	126.9	167.8	-73.2	-170.9	172.4	0	0	110.1	N346	E344-N346 PolarHBondContact O-N 2.87Å; E344-N346 VanDerWaalsContact O-N 3.12Å; E344-N346 PolarHBondContact OE2-ND2 3.19Å
345	W	68.5	Low	85.6	Confident	49 Å²	49	47 Å²	47	19%	0.186	24%	0.24	C	C	.	.			trans	-83.7	82.3	174.8	-170.1	-88	0	0	0	110.2	L340 F343 S347 S349 P350 M351 L425 Y426	L340-W345 HydrophobicContact CD1-CB 3.76Å; L340-W345 HydrophobicContact CD1-CD2 4.37Å; L340-W345 HydrophobicContact CD1-CE3 3.95Å; L340-W345 HydrophobicContact CD1-CG 4.32Å; L340-W345 HydrophobicContact CD2-CE3 4.32Å; F343-W345 PolarHBondContact O-N 2.9Å; W345-S347 PolarHBondContact NE1-O 2.91Å; W345-S349 WeakPolarHBondContact CH2-OG 3.23Å; W345-S349 WeakPolarHBondContact CZ2-O 3.23Å; W345-S349 WeakPolarHBondContact CZ2-OG 3.28Å; W345-P350 WeakPolarHBondContact CH2-O 3.26Å; W345-P350 WeakPolarHBondContact CZ2-O 3.38Å; W345-M351 HydrophobicContact CB-SD 4.01Å; W345-M351 HydrophobicContact CD2-CB 3.77Å; W345-M351 HydrophobicContact CD2-CG 3.7Å; W345-M351 HydrophobicContact CD2-SD 4.14Å; W345-M351 VanDerWaalsContact CE2-CA 3.48Å; W345-M351 HydrophobicContact CE3-CB 4.18Å; W345-M351 HydrophobicContact CE3-CG 3.83Å; W345-M351 HydrophobicContact CG-CB 4.22Å; W345-M351 HydrophobicContact CG-CG 4.02Å; W345-M351 HydrophobicContact CG-SD 3.8Å; W345-M351 HydrophobicContact CH2-CB 4.38Å; W345-M351 HydrophobicContact CZ2-CB 3.98Å; W345-M351 HydrophobicContact CZ3-CB 4.43Å; W345-M351 HydrophobicContact CZ3-CG 4.34Å; W345-L425 HydrophobicContact CE3-CD1 3.73Å; W345-L425 HydrophobicContact CH2-CD1 4.18Å; W345-L425 HydrophobicContact CZ3-CD1 3.3Å; W345-Y426 HydrophobicContact CH2-CE2 4.21Å
346	N	62.2	Low	85.7	Confident	132 Å²	132	42 Å²	42	71%	0.706	22%	0.218	S	C	*	.			trans	-106.3	22.8	-177.8	-62.6	-11.9	0	0	0	112.4	E344	E344-N346 PolarHBondContact O-N 2.87Å; E344-N346 VanDerWaalsContact O-N 3.12Å; E344-N346 PolarHBondContact OE2-ND2 3.19Å
347	S	68.9	Low	85.7	Confident	31 Å²	31	40.7 Å²	40.7	22%	0.217	21%	0.209	C	C	.	.	S	Bend	trans	-109.9	149.4	-170.7	-179	0	0	0	0	112.2	W345 S349 D423	W345-S347 PolarHBondContact NE1-O 2.91Å; S347-S349 PolarHBondContact O-N 3.47Å; S347-S349 WeakPolarHBondContact OG-CB 3.19Å; S347-S349 PolarHBondContact OG-N 3.5Å; S347-S349 VanDerWaalsContact OG-N 3.13Å; S347-S349 PolarHBondContact OG-OG 3.01Å; S347-D423 WeakPolarHBondContact CB-OD2 3.46Å; S347-D423 PolarHBondContact OG-OD2 3.29Å
348	T	82.1	Confident	85.8	Confident	93 Å²	93	40.5 Å²	40.5	57%	0.571	21%	0.207	S	C	*	.	S	Bend	trans	-72.9	-5.8	169.5	60.8	0	0	0	0	112.7	Y414	T348-Y414 PolarHBondContact O-OH 3.27Å
349	S	86.5	Confident	85.9	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.206	C	C	.	.	S	Bend	trans	-68.9	164.4	178.8	80.9	0	0	0	0	111.1	Q148 W345 S347 M351 Y414 D423 Y426	Q148-S349 PolarHBondContact NE2-O 2.71Å; W345-S349 WeakPolarHBondContact CH2-OG 3.23Å; W345-S349 WeakPolarHBondContact CZ2-O 3.23Å; W345-S349 WeakPolarHBondContact CZ2-OG 3.28Å; S347-S349 PolarHBondContact O-N 3.47Å; S347-S349 WeakPolarHBondContact OG-CB 3.19Å; S347-S349 PolarHBondContact OG-N 3.5Å; S347-S349 VanDerWaalsContact OG-N 3.13Å; S347-S349 PolarHBondContact OG-OG 3.01Å; S349-M351 PolarHBondContact O-N 3.23Å; S349-Y414 VanDerWaalsContact CA-CE1 3.48Å; S349-Y414 VanDerWaalsContact CA-CZ 3.47Å; S349-D423 WeakPolarHBondContact CB-OD2 3.43Å; S349-D423 PolarHBondContact OG-OD2 3.29Å; S349-Y426 WeakPolarHBondContact OG-CE2 3.47Å
350	P	90	Very high	86.1	Confident	4 Å²	4	39.4 Å²	39.4	3%	0.026	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-69.8	125.7	170.8	-20.6	33.8	0	0	0	112.1	W345 F352 L374 Y406 L410 Y426	W345-P350 WeakPolarHBondContact CH2-O 3.26Å; W345-P350 WeakPolarHBondContact CZ2-O 3.38Å; P350-F352 PolarHBondContact O-N 2.96Å; P350-L374 HydrophobicContact CB-CD1 3.85Å; P350-Y406 WeakPolarHBondContact CG-OH 3.47Å; P350-L410 HydrophobicContact CG-CD2 3.77Å; P350-Y426 PolarHBondContact O-OH 2.82Å
351	M	91.7	Very high	86.4	Confident	48 Å²	48	38.1 Å²	38.1	24%	0.236	19%	0.192	C	C	.	.	P	Polyproline II helix	trans	-58.2	134.5	177.7	-173.5	161.2	69	0	0	113	R289 L340 W345 S349 Y355	R289-M351 VanDerWaalsContact NE-CE 3.33Å; R289-M351 PolarHBondContact NH1-O 2.92Å; R289-M351 VanDerWaalsContact NH2-CE 3.28Å; L340-M351 HydrophobicContact CD1-CG 3.7Å; L340-M351 HydrophobicContact CD1-SD 3.36Å; L340-M351 WeakPolarHBondContact CD1-SD 3.26Å; L340-M351 HydrophobicContact CD2-CG 3.82Å; L340-M351 HydrophobicContact CD2-SD 4.49Å; L340-M351 HydrophobicContact CG-CG 3.96Å; L340-M351 HydrophobicContact CG-SD 3.96Å; W345-M351 HydrophobicContact CB-SD 4.01Å; W345-M351 HydrophobicContact CD2-CB 3.77Å; W345-M351 HydrophobicContact CD2-CG 3.7Å; W345-M351 HydrophobicContact CD2-SD 4.14Å; W345-M351 VanDerWaalsContact CE2-CA 3.48Å; W345-M351 HydrophobicContact CE3-CB 4.18Å; W345-M351 HydrophobicContact CE3-CG 3.83Å; W345-M351 HydrophobicContact CG-CB 4.22Å; W345-M351 HydrophobicContact CG-CG 4.02Å; W345-M351 HydrophobicContact CG-SD 3.8Å; W345-M351 HydrophobicContact CH2-CB 4.38Å; W345-M351 HydrophobicContact CZ2-CB 3.98Å; W345-M351 HydrophobicContact CZ3-CB 4.43Å; W345-M351 HydrophobicContact CZ3-CG 4.34Å; S349-M351 PolarHBondContact O-N 3.23Å; M351-Y355 PolarHBondContact N-OH 3.37Å; M351-Y355 WeakPolarHBondContact O-CE2 3.31Å; M351-Y355 PolarHBondContact O-OH 2.83Å
352	F	94.3	Very high	86.9	Confident	4 Å²	4	38.1 Å²	38.1	2%	0.018	19%	0.192	C	C	.	.	S	Bend	trans	-58.8	145.9	172.3	-66.9	-30	0	0	0	111.8	V44 R289 L340 P350 L374 P376 L425 Y426 F429	V44-F352 HydrophobicContact CB-CB 4.16Å; V44-F352 HydrophobicContact CG1-CB 3.89Å; V44-F352 HydrophobicContact CG2-CB 3.98Å; V44-F352 HydrophobicContact CG2-CD2 4.23Å; R289-F352 PolarHBondContact NH1-O 2.8Å; R289-F352 PolarHBondContact NH2-O 2.91Å; L340-F352 HydrophobicContact CD2-CB 3.95Å; P350-F352 PolarHBondContact O-N 2.96Å; F352-L374 WeakPolarHBondContact CA-O 3.49Å; F352-L374 WeakPolarHBondContact CB-O 3.49Å; F352-L374 HydrophobicContact CD1-CB 3.96Å; F352-P376 HydrophobicContact CD2-CG 4.03Å; F352-P376 HydrophobicContact CE2-CB 4.09Å; F352-P376 HydrophobicContact CE2-CG 3.92Å; F352-L425 HydrophobicContact CE2-CB 3.73Å; F352-L425 HydrophobicContact CZ-CB 4.04Å; F352-L425 VanDerWaalsContact CZ-O 3.32Å; F352-L425 WeakPolarHBondContact CZ-O 3.48Å; F352-Y426 HydrophobicContact CE1-CD1 4.35Å; F352-Y426 HydrophobicContact CE1-CD2 4.31Å; F352-Y426 AromaticContact CE1-CE1 3.78Å; F352-Y426 HydrophobicContact CE1-CE1 3.78Å; F352-Y426 AromaticContact CE1-CE2 3.77Å; F352-Y426 HydrophobicContact CE1-CE2 3.77Å; F352-Y426 AromaticContact CE1-CZ 3.48Å; F352-Y426 VanDerWaalsContact CE1-CZ 3.48Å; F352-Y426 HydrophobicContact CZ-CD2 4.25Å; F352-Y426 HydrophobicContact CZ-CE1 4.42Å; F352-Y426 HydrophobicContact CZ-CE2 4.13Å; F352-Y426 HydrophobicContact CZ-CG 4.48Å; F352-F429 HydrophobicContact CE1-CD2 4.11Å; F352-F429 HydrophobicContact CE1-CE2 4.22Å; F352-F429 HydrophobicContact CZ-CD2 4.48Å
353	G	95.8	Very high	87.8	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	139.5	-162.5	-171.8	0	0	0	0	0	113.4	Y355 D373 L374	G353-Y355 WeakPolarHBondContact O-CD2 3.13Å; G353-D373 WeakPolarHBondContact O-CA 3.26Å; G353-L374 PolarHBondContact N-O 3.08Å; G353-L374 PolarHBondContact O-N 3.04Å
354	S	96.9	Very high	89.1	Confident	3 Å²	3	32.1 Å²	32.1	2%	0.021	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	140.2	-172.2	-58.4	0	0	0	0	113.3	R57 T290 S336 D373	R57-S354 PolarHBondContact NH2-OG 2.66Å; T290-S354 PolarHBondContact N-O 2.61Å; T290-S354 WeakPolarHBondContact OG1-CB 3.32Å; S336-S354 VanDerWaalsContact CB-OG 3.29Å; S336-S354 WeakPolarHBondContact CB-OG 3.16Å; S336-S354 PolarHBondContact OG-OG 3.3Å; S354-D373 WeakPolarHBondContact CA-OD1 3.5Å; S354-D373 VanDerWaalsContact CB-OD1 3.32Å; S354-D373 WeakPolarHBondContact CB-OD1 3.36Å; S354-D373 PolarHBondContact OG-OD1 3.36Å
355	Y	96.5	Very high	90.6	Very high	10 Å²	10	28.5 Å²	28.5	4%	0.039	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	150.4	-176	-66.5	-93.5	0	0	0	112.5	L287 I288 R289 M351 G353 I372 L374	L287-Y355 HydrophobicContact CD1-CD1 3.87Å; L287-Y355 HydrophobicContact CD1-CG 3.82Å; L287-Y355 HydrophobicContact CD2-CD1 3.88Å; L287-Y355 HydrophobicContact CD2-CE1 3.99Å; L287-Y355 HydrophobicContact CD2-CG 4.29Å; L287-Y355 HydrophobicContact CG-CD1 3.46Å; L287-Y355 VanDerWaalsContact CG-CD1 3.46Å; L287-Y355 HydrophobicContact CG-CE1 4.01Å; L287-Y355 HydrophobicContact CG-CG 3.94Å; I288-Y355 CarbonylContact O-C 3.55Å; I288-Y355 VanDerWaalsContact O-CA 3.23Å; I288-Y355 WeakPolarHBondContact O-CA 3.42Å; R289-Y355 VanDerWaalsContact CA-CD1 3.43Å; R289-Y355 HydrophobicContact CB-CD1 3.88Å; R289-Y355 HydrophobicContact CB-CE1 3.53Å; R289-Y355 HydrophobicContact CG-CD1 4.35Å; R289-Y355 HydrophobicContact CG-CE1 3.88Å; R289-Y355 PolarHBondContact NH1-OH 2.72Å; M351-Y355 PolarHBondContact N-OH 3.37Å; M351-Y355 WeakPolarHBondContact O-CE2 3.31Å; M351-Y355 PolarHBondContact O-OH 2.83Å; G353-Y355 WeakPolarHBondContact O-CD2 3.13Å; Y355-I372 PolarHBondContact N-O 3.21Å; Y355-I372 PolarHBondContact O-N 2.88Å; Y355-L374 HydrophobicContact CD2-CD1 4.04Å; Y355-L374 HydrophobicContact CD2-CG 4.01Å; Y355-L374 HydrophobicContact CE2-CB 4.48Å; Y355-L374 HydrophobicContact CE2-CD1 3.77Å; Y355-L374 HydrophobicContact CE2-CG 4.09Å
356	H	96.9	Very high	92	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	111.6	157.9	-74	-167.9	0	0	0	108	I288 L333 Q358 V369 G370	I288-H356 PolarHBondContact N-O 3.18Å; I288-H356 PolarHBondContact O-N 3.47Å; L333-H356 PolarHBondContact O-NE2 3.24Å; H356-Q358 HydrophobicContact CB-CG 4.31Å; H356-Q358 PolarHBondContact O-N 2.98Å; H356-V369 HydrophobicContact CB-CG1 3.84Å; H356-G370 CarbonylContact C-O 3.57Å; H356-G370 WeakPolarHBondContact CA-O 3.29Å
357	Q	97.6	Very high	93.7	Very high	2 Å²	2	20 Å²	20	1%	0.009	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	103.5	167.7	-173.1	176.5	60.7	0	0	108.5	I285 L287 Y359 V369 G370 I372	I285-Q357 HydrophobicContact CG2-CG 3.62Å; L287-Q357 HydrophobicContact CD1-CB 4.14Å; Q357-Y359 HydrophobicContact CB-CE2 4.45Å; Q357-Y359 HydrophobicContact CG-CE2 3.97Å; Q357-Y359 WeakPolarHBondContact O-CD2 3.36Å; Q357-Y359 WeakPolarHBondContact O-CE2 3.16Å; Q357-Y359 PolarHBondContact OE1-OH 2.9Å; Q357-V369 WeakPolarHBondContact O-CA 3.27Å; Q357-G370 PolarHBondContact N-O 3.39Å; Q357-G370 PolarHBondContact O-N 2.87Å; Q357-I372 HydrophobicContact CB-CD1 4.14Å
358	Q	97.6	Very high	95.1	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	138.7	-173.9	-66.5	-174.9	-20	0	0	111.4	I285 R286 I288 S305 H356 W360 L366 V369	I285-Q358 VanDerWaalsContact CA-O 3.31Å; I285-Q358 WeakPolarHBondContact CA-O 3.23Å; R286-Q358 HydrophobicContact CB-CB 4.47Å; R286-Q358 PolarHBondContact N-O 3.35Å; R286-Q358 PolarHBondContact O-N 3.36Å; I288-Q358 HydrophobicContact CG1-CG 4.35Å; S305-Q358 PolarHBondContact OG-NE2 3.2Å; S305-Q358 VanDerWaalsContact OG-NE2 3.11Å; H356-Q358 HydrophobicContact CB-CG 4.31Å; H356-Q358 PolarHBondContact O-N 2.98Å; Q358-W360 VanDerWaalsContact CB-NE1 3.35Å; Q358-L366 HydrophobicContact CB-CD1 3.65Å; Q358-L366 HydrophobicContact CG-CD1 4.08Å; Q358-V369 HydrophobicContact CG-CG2 4.36Å
359	Y	98.4	Very high	95.9	Very high	1 Å²	1	14.1 Å²	14.1	0%	0.004	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	105.9	-179.1	-64.2	-99.9	0	0	0	109.5	I285 Q357 I367 A368 Y398 T399 R402	I285-Y359 HydrophobicContact CD1-CD1 4.09Å; I285-Y359 HydrophobicContact CD1-CE1 3.78Å; I285-Y359 HydrophobicContact CG1-CD1 3.95Å; I285-Y359 HydrophobicContact CG1-CE1 4.1Å; Q357-Y359 HydrophobicContact CB-CE2 4.45Å; Q357-Y359 HydrophobicContact CG-CE2 3.97Å; Q357-Y359 WeakPolarHBondContact O-CD2 3.36Å; Q357-Y359 WeakPolarHBondContact O-CE2 3.16Å; Q357-Y359 PolarHBondContact OE1-OH 2.9Å; Y359-I367 WeakPolarHBondContact O-CG1 3.4Å; Y359-I367 PolarHBondContact O-N 2.66Å; Y359-A368 HydrophobicContact CD2-CB 3.93Å; Y359-A368 HydrophobicContact CG-CB 4.14Å; Y359-A368 PolarHBondContact N-O 2.83Å; Y359-Y398 HydrophobicContact CD1-CD1 4.44Å; Y359-Y398 HydrophobicContact CD1-CE1 4.02Å; Y359-Y398 HydrophobicContact CE1-CD1 4.33Å; Y359-Y398 HydrophobicContact CE1-CE1 4.02Å; Y359-T399 HydrophobicContact CD2-CG2 3.95Å; Y359-T399 HydrophobicContact CE1-CG2 4.16Å; Y359-T399 HydrophobicContact CE2-CG2 3.48Å; Y359-T399 VanDerWaalsContact CE2-CG2 3.48Å; Y359-T399 HydrophobicContact CG-CG2 4.49Å; Y359-T399 WeakPolarHBondContact OH-CA 3.49Å; Y359-R402 HydrophobicContact CE1-CB 3.99Å; Y359-R402 HydrophobicContact CE1-CG 3.96Å; Y359-R402 VanDerWaalsContact OH-CB 3.31Å; Y359-R402 WeakPolarHBondContact OH-CB 3.23Å
360	W	98	Very high	96.5	Very high	19 Å²	19	14.1 Å²	14.1	7%	0.072	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	114	-174.1	-67.5	81.3	0	0	0	110.5	E284 R301 L304 Q358 E364 K365 L366	E284-W360 HydrophobicContact CB-CB 4.24Å; E284-W360 PolarHBondContact N-O 2.84Å; E284-W360 PolarHBondContact O-N 3.38Å; R301-W360 HydrophobicContact CG-CZ2 4.46Å; L304-W360 HydrophobicContact CD2-CH2 3.39Å; L304-W360 HydrophobicContact CD2-CZ2 4.21Å; L304-W360 HydrophobicContact CD2-CZ3 3.78Å; Q358-W360 VanDerWaalsContact CB-NE1 3.35Å; W360-E364 WeakPolarHBondContact CZ3-O 3.32Å; W360-K365 CarbonylContact C-O 3.59Å; W360-K365 WeakPolarHBondContact CA-O 3.45Å; W360-L366 HydrophobicContact CD2-CB 4.3Å; W360-L366 HydrophobicContact CD2-CD1 4.32Å; W360-L366 HydrophobicContact CE3-CB 4.27Å; W360-L366 HydrophobicContact CG-CD1 4.42Å; W360-L366 HydrophobicContact CH2-CB 4.36Å; W360-L366 HydrophobicContact CZ2-CB 4.37Å; W360-L366 HydrophobicContact CZ2-CD1 4.45Å; W360-L366 HydrophobicContact CZ3-CB 4.3Å
361	L	98.1	Very high	96.9	Very high	8 Å²	8	14.1 Å²	14.1	4%	0.042	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	126	171	-174	66.4	0	0	0	109	F100 L101 H281 G363 E364 K365 I367 Y390	F100-L361 HydrophobicContact CE1-CD1 3.76Å; F100-L361 HydrophobicContact CE1-CD2 4.2Å; F100-L361 HydrophobicContact CZ-CD1 4.38Å; F100-L361 HydrophobicContact CZ-CD2 4.1Å; L101-L361 HydrophobicContact CD2-CD1 3.92Å; H281-L361 HydrophobicContact CB-CD1 3.83Å; L361-G363 PolarHBondContact O-N 3.36Å; L361-E364 PolarHBondContact O-N 3.1Å; L361-E364 VanDerWaalsContact O-N 3.07Å; L361-K365 PolarHBondContact N-O 2.76Å; L361-K365 PolarHBondContact O-N 3.49Å; L361-I367 HydrophobicContact CB-CD1 4.28Å; L361-I367 HydrophobicContact CB-CG1 4.43Å; L361-I367 HydrophobicContact CB-CG2 3.84Å; L361-I367 HydrophobicContact CD2-CG2 4.42Å; L361-Y390 HydrophobicContact CD2-CD1 4.44Å; L361-Y390 HydrophobicContact CD2-CE1 3.5Å; L361-Y390 VanDerWaalsContact CD2-CE1 3.5Å
362	D	97.5	Very high	97.2	Very high	30 Å²	30	11.9 Å²	11.9	16%	0.16	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	16.8	-179.2	-58.2	-41.3	0	0	0	115.2	H281 F282 E364	H281-D362 WeakPolarHBondContact CA-OD1 3.44Å; H281-D362 VanDerWaalsContact CB-OD1 3.28Å; H281-D362 WeakPolarHBondContact CB-OD1 3.41Å; H281-D362 IonicContact CE1-OD2 3.62Å; H281-D362 IonicContact CG-OD1 3.63Å; H281-D362 IonicContact CG-OD2 3.8Å; H281-D362 IonicContact ND1-OD1 3.06Å; H281-D362 IonicContact ND1-OD2 2.66Å; H281-D362 PolarHBondContact ND1-OD2 2.9Å; F282-D362 HydrophobicContact CD1-CB 4.45Å; F282-D362 VanDerWaalsContact CE1-C 3.43Å; F282-D362 HydrophobicContact CE1-CB 4.11Å; F282-D362 WeakPolarHBondContact CE1-O 3.17Å; F282-D362 VanDerWaalsContact CZ-O 3.26Å; F282-D362 WeakPolarHBondContact CZ-O 3.34Å; F282-D362 PolarHBondContact N-OD1 3.47Å; F282-D362 PolarHBondContact O-N 3.45Å; D362-E364 PolarHBondContact O-N 3.46Å
363	G	94.6	Very high	97.4	Very high	16 Å²	16	11.7 Å²	11.7	17%	0.165	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.9	0.6	-174.9	0	0	0	0	0	114.4	R286 L361	R286-G363 PolarHBondContact NH2-O 3.26Å; L361-G363 PolarHBondContact O-N 3.36Å
364	E	94.5	Very high	97.5	Very high	68 Å²	68	11.7 Å²	11.7	32%	0.318	6%	0.058	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.5	-43.7	-171.9	-62.5	-179	118.7	0	0	113.2	A135 P136 W360 L361 D362	A135-E364 VanDerWaalsContact O-OE1 3.1Å; P136-E364 WeakPolarHBondContact CA-OE1 3.27Å; P136-E364 HydrophobicContact CB-CG 3.75Å; P136-E364 VanDerWaalsContact CB-OE1 3.3Å; P136-E364 WeakPolarHBondContact CB-OE1 3.46Å; P136-E364 VanDerWaalsContact N-OE1 3.07Å; W360-E364 WeakPolarHBondContact CZ3-O 3.32Å; L361-E364 PolarHBondContact O-N 3.1Å; L361-E364 VanDerWaalsContact O-N 3.07Å; D362-E364 PolarHBondContact O-N 3.46Å
365	K	96.7	Very high	97.5	Very high	80 Å²	80	11.5 Å²	11.5	35%	0.348	6%	0.057	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	116.5	-171.9	-172.6	172	179.7	-178.6	0	111.1	W360 L361 I367 D387 Y390	W360-K365 CarbonylContact C-O 3.59Å; W360-K365 WeakPolarHBondContact CA-O 3.45Å; L361-K365 PolarHBondContact N-O 2.76Å; L361-K365 PolarHBondContact O-N 3.49Å; K365-I367 HydrophobicContact CG-CG2 4.16Å; K365-I367 PolarHBondContact O-N 3.42Å; K365-D387 VanDerWaalsContact CE-OD2 3.28Å; K365-D387 WeakPolarHBondContact CE-OD2 3.5Å; K365-D387 IonicContact NZ-OD2 2.78Å; K365-D387 PolarHBondContact NZ-OD2 3.44Å; K365-Y390 HydrophobicContact CD-CE2 4.18Å; K365-Y390 WeakPolarHBondContact CD-OH 2.99Å; K365-Y390 PolarHBondContact NZ-OH 2.9Å; K365-Y390 VanDerWaalsContact NZ-OH 3.16Å
366	L	97.6	Very high	97.4	Very high	3 Å²	3	12.2 Å²	12.2	2%	0.016	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	116.1	171.9	-177.2	62.1	0	0	0	110.1	L304 I308 Q358 W360 A368 V369	L304-L366 HydrophobicContact CB-CD2 4.46Å; L304-L366 HydrophobicContact CD2-CB 3.62Å; L304-L366 HydrophobicContact CD2-CD2 4.09Å; L304-L366 HydrophobicContact CG-CB 4.06Å; L304-L366 HydrophobicContact CG-CD2 3.96Å; I308-L366 WeakPolarHBondContact CD1-O 3.4Å; I308-L366 HydrophobicContact CG1-CD2 4.31Å; I308-L366 HydrophobicContact CG1-CG 4.34Å; Q358-L366 HydrophobicContact CB-CD1 3.65Å; Q358-L366 HydrophobicContact CG-CD1 4.08Å; W360-L366 HydrophobicContact CD2-CB 4.3Å; W360-L366 HydrophobicContact CD2-CD1 4.32Å; W360-L366 HydrophobicContact CE3-CB 4.27Å; W360-L366 HydrophobicContact CG-CD1 4.42Å; W360-L366 HydrophobicContact CH2-CB 4.36Å; W360-L366 HydrophobicContact CZ2-CB 4.37Å; W360-L366 HydrophobicContact CZ2-CD1 4.45Å; W360-L366 HydrophobicContact CZ3-CB 4.3Å; L366-A368 WeakPolarHBondContact CD1-O 3.45Å; L366-V369 HydrophobicContact CD1-CG2 4.07Å; L366-V369 HydrophobicContact CD2-CG2 3.82Å; L366-V369 HydrophobicContact CG-CG2 4.16Å
367	I	98	Very high	97.4	Very high	1 Å²	1	15.4 Å²	15.4	1%	0.005	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	-20.4	-177.3	62.8	163	0	0	0	113.9	I283 Y359 L361 K365 Y386 D387 Y390 L395	I283-I367 HydrophobicContact CD1-CD1 3.86Å; I283-I367 HydrophobicContact CD1-CG1 4.24Å; Y359-I367 WeakPolarHBondContact O-CG1 3.4Å; Y359-I367 PolarHBondContact O-N 2.66Å; L361-I367 HydrophobicContact CB-CD1 4.28Å; L361-I367 HydrophobicContact CB-CG1 4.43Å; L361-I367 HydrophobicContact CB-CG2 3.84Å; L361-I367 HydrophobicContact CD2-CG2 4.42Å; K365-I367 HydrophobicContact CG-CG2 4.16Å; K365-I367 PolarHBondContact O-N 3.42Å; I367-Y386 CarbonylContact O-C 3.42Å; I367-Y386 VanDerWaalsContact O-CA 3.3Å; I367-Y386 WeakPolarHBondContact O-CA 3.45Å; I367-Y386 VanDerWaalsContact O-CB 3.24Å; I367-Y386 WeakPolarHBondContact O-CB 3.26Å; I367-D387 PolarHBondContact O-N 2.83Å; I367-Y390 HydrophobicContact CB-CD2 4.1Å; I367-Y390 HydrophobicContact CB-CE2 4.42Å; I367-Y390 HydrophobicContact CB-CG 4.32Å; I367-Y390 HydrophobicContact CG2-CD1 4.36Å; I367-Y390 HydrophobicContact CG2-CD2 3.69Å; I367-Y390 HydrophobicContact CG2-CE1 4.24Å; I367-Y390 HydrophobicContact CG2-CE2 3.53Å; I367-Y390 HydrophobicContact CG2-CG 4.1Å; I367-L395 HydrophobicContact CD1-CD1 4.42Å; I367-L395 HydrophobicContact CD1-CD2 4.24Å
368	A	98.6	Very high	97.4	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	154.8	174.2	0	0	0	0	0	112.1	Y359 L366 L395 T399	Y359-A368 HydrophobicContact CD2-CB 3.93Å; Y359-A368 HydrophobicContact CG-CB 4.14Å; Y359-A368 PolarHBondContact N-O 2.83Å; L366-A368 WeakPolarHBondContact CD1-O 3.45Å; A368-L395 HydrophobicContact CB-CB 4.49Å; A368-L395 HydrophobicContact CB-CD1 4.29Å; A368-T399 HydrophobicContact CB-CG2 4.12Å
369	V	98.6	Very high	97.5	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	123.1	172.7	-175.7	0	0	0	0	109.3	H356 Q357 Q358 L366 V384 F385	H356-V369 HydrophobicContact CB-CG1 3.84Å; Q357-V369 WeakPolarHBondContact O-CA 3.27Å; Q358-V369 HydrophobicContact CG-CG2 4.36Å; L366-V369 HydrophobicContact CD1-CG2 4.07Å; L366-V369 HydrophobicContact CD2-CG2 3.82Å; L366-V369 HydrophobicContact CG-CG2 4.16Å; V369-V384 WeakPolarHBondContact O-CA 3.29Å; V369-F385 HydrophobicContact CB-CD1 4.48Å; V369-F385 HydrophobicContact CB-CD2 4.16Å; V369-F385 HydrophobicContact CB-CE1 3.93Å; V369-F385 HydrophobicContact CB-CE2 3.53Å; V369-F385 HydrophobicContact CB-CZ 3.42Å; V369-F385 VanDerWaalsContact CB-CZ 3.42Å; V369-F385 HydrophobicContact CG1-CE1 4.02Å; V369-F385 HydrophobicContact CG1-CE2 4.26Å; V369-F385 HydrophobicContact CG1-CZ 3.64Å; V369-F385 HydrophobicContact CG2-CD2 4.39Å; V369-F385 HydrophobicContact CG2-CE2 3.58Å; V369-F385 HydrophobicContact CG2-CZ 3.83Å; V369-F385 PolarHBondContact N-O 3.46Å; V369-F385 PolarHBondContact O-N 3.16Å; V369-F385 VanDerWaalsContact O-N 3.14Å
370	G	98.3	Very high	97.5	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	119.9	164.1	0	0	0	0	0	110	H356 Q357	H356-G370 CarbonylContact C-O 3.57Å; H356-G370 WeakPolarHBondContact CA-O 3.29Å; Q357-G370 PolarHBondContact N-O 3.39Å; Q357-G370 PolarHBondContact O-N 2.87Å
371	V	98.1	Very high	97.5	Very high	4 Å²	4	15.2 Å²	15.2	2%	0.024	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	110.4	169.1	-174.9	0	0	0	0	107.1	L333 V382 Y383 F385	L333-V371 HydrophobicContact CB-CG2 4.3Å; L333-V371 HydrophobicContact CD2-CG2 4.27Å; V371-V382 HydrophobicContact CB-CB 4.45Å; V371-V382 HydrophobicContact CG1-CB 4.18Å; V371-V382 WeakPolarHBondContact O-CA 3.42Å; V371-V382 VanDerWaalsContact O-CB 3.32Å; V371-V382 WeakPolarHBondContact O-CB 3.23Å; V371-V382 PolarHBondContact O-N 3.44Å; V371-Y383 PolarHBondContact N-O 3.37Å; V371-Y383 PolarHBondContact O-N 2.87Å; V371-F385 HydrophobicContact CG2-CE1 3.81Å
372	I	98.4	Very high	97.4	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	148.5	-171.4	67.3	171.7	0	0	0	111.6	L287 Y355 Q357 L374 L379 S380 E403	L287-I372 HydrophobicContact CD1-CD1 3.86Å; Y355-I372 PolarHBondContact N-O 3.21Å; Y355-I372 PolarHBondContact O-N 2.88Å; Q357-I372 HydrophobicContact CB-CD1 4.14Å; I372-L374 HydrophobicContact CD1-CD2 4.35Å; I372-L379 HydrophobicContact CB-CD2 4.06Å; I372-L379 HydrophobicContact CB-CG 4.28Å; I372-L379 HydrophobicContact CD1-CD1 3.81Å; I372-L379 HydrophobicContact CD1-CG 4.23Å; I372-L379 HydrophobicContact CG2-CD2 3.94Å; I372-S380 CarbonylContact C-O 3.53Å; I372-S380 VanDerWaalsContact CA-O 3.31Å; I372-S380 WeakPolarHBondContact CA-O 3.41Å; I372-E403 HydrophobicContact CG2-CG 4.29Å
373	D	98.4	Very high	97.4	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	127.9	167.4	-68.9	-32.3	0	0	0	110	Y47 R57 L338 G353 S354 L375 L379 S380 V382	Y47-D373 WeakPolarHBondContact CE1-OD2 3.44Å; R57-D373 IonicContact CZ-OD1 2.71Å; R57-D373 IonicContact CZ-OD2 3.69Å; R57-D373 VanDerWaalsContact CZ-OD2 3.27Å; R57-D373 IonicContact NE-OD1 2.73Å; R57-D373 IonicContact NE-OD2 3.21Å; R57-D373 PolarHBondContact NE-OD2 3.37Å; R57-D373 IonicContact NH2-OD1 3.15Å; R57-D373 PolarHBondContact NH2-OD1 3.48Å; R57-D373 IonicContact NH2-OD2 2.83Å; R57-D373 PolarHBondContact NH2-OD2 2.79Å; L338-D373 HydrophobicContact CD1-CB 4.06Å; G353-D373 WeakPolarHBondContact O-CA 3.26Å; S354-D373 WeakPolarHBondContact CA-OD1 3.5Å; S354-D373 VanDerWaalsContact CB-OD1 3.32Å; S354-D373 WeakPolarHBondContact CB-OD1 3.36Å; S354-D373 PolarHBondContact OG-OD1 3.36Å; D373-L375 HydrophobicContact CB-CD1 4.42Å; D373-L375 HydrophobicContact CB-CD2 4.35Å; D373-L375 HydrophobicContact CB-CG 4.15Å; D373-L379 CarbonylContact O-C 3.52Å; D373-L379 WeakPolarHBondContact O-CA 3.4Å; D373-S380 PolarHBondContact N-O 2.79Å; D373-S380 PolarHBondContact O-N 3.47Å; D373-V382 HydrophobicContact CB-CG2 4.49Å; D373-V382 WeakPolarHBondContact OD2-CG2 3.29Å
374	L	97.7	Very high	97.5	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	117.7	166.9	-57.4	-176.4	0	0	0	108.1	P350 F352 G353 Y355 I372 L379 Y406 L410 F429	P350-L374 HydrophobicContact CB-CD1 3.85Å; F352-L374 WeakPolarHBondContact CA-O 3.49Å; F352-L374 WeakPolarHBondContact CB-O 3.49Å; F352-L374 HydrophobicContact CD1-CB 3.96Å; G353-L374 PolarHBondContact N-O 3.08Å; G353-L374 PolarHBondContact O-N 3.04Å; Y355-L374 HydrophobicContact CD2-CD1 4.04Å; Y355-L374 HydrophobicContact CD2-CG 4.01Å; Y355-L374 HydrophobicContact CE2-CB 4.48Å; Y355-L374 HydrophobicContact CE2-CD1 3.77Å; Y355-L374 HydrophobicContact CE2-CG 4.09Å; I372-L374 HydrophobicContact CD1-CD2 4.35Å; L374-L379 HydrophobicContact CD2-CB 4.28Å; L374-L379 HydrophobicContact CD2-CD1 3.96Å; L374-L379 HydrophobicContact CD2-CG 4.02Å; L374-Y406 HydrophobicContact CD2-CE1 4.43Å; L374-L410 HydrophobicContact CD1-CD1 4.45Å; L374-L410 HydrophobicContact CD2-CD1 4.39Å; L374-F429 HydrophobicContact CD2-CZ 4.04Å
375	L	97.5	Very high	97.7	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	160.6	-176.8	-58.4	175.4	0	0	0	110.2	V44 Y47 Q48 I51 L338 D373 R377 C378 F429	V44-L375 HydrophobicContact CB-CD2 4.05Å; V44-L375 HydrophobicContact CG1-CD2 4.18Å; Y47-L375 HydrophobicContact CD1-CD1 3.65Å; Y47-L375 HydrophobicContact CD1-CD2 3.82Å; Y47-L375 HydrophobicContact CD1-CG 4.37Å; Y47-L375 HydrophobicContact CE1-CD1 4Å; Q48-L375 HydrophobicContact CB-CB 4.37Å; I51-L375 HydrophobicContact CD1-CD1 3.4Å; I51-L375 HydrophobicContact CG1-CD1 4.34Å; L338-L375 HydrophobicContact CD1-CD2 4.05Å; D373-L375 HydrophobicContact CB-CD1 4.42Å; D373-L375 HydrophobicContact CB-CD2 4.35Å; D373-L375 HydrophobicContact CB-CG 4.15Å; L375-R377 PolarHBondContact O-N 3.15Å; L375-C378 PolarHBondContact N-O 3.08Å; L375-C378 PolarHBondContact O-N 3.35Å; L375-C378 VanDerWaalsContact O-N 3.09Å; L375-C378 VanDerWaalsContact O-O 3.13Å; L375-F429 WeakPolarHBondContact O-CD2 3.22Å; L375-F429 WeakPolarHBondContact O-CE2 3.28Å
376	P	94.9	Very high	97.8	Very high	25 Å²	25	12.3 Å²	12.3	16%	0.162	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.1	-26.4	-173.4	-33	35.5	0	0	0	117.6	V44 F352	V44-P376 HydrophobicContact CG2-CG 4.38Å; F352-P376 HydrophobicContact CD2-CG 4.03Å; F352-P376 HydrophobicContact CE2-CB 4.09Å; F352-P376 HydrophobicContact CE2-CG 3.92Å
377	R	96.8	Very high	97.8	Very high	67 Å²	67	12.6 Å²	12.6	25%	0.253	6%	0.062	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.7	-9.9	179.6	-57.1	-178.3	-57.8	121.8	42.5	114.3	Q48 D52 L375 N428 N430 S431 Y433	Q48-R377 HydrophobicContact CG-CB 4.47Å; Q48-R377 HydrophobicContact CG-CG 4.38Å; D52-R377 IonicContact OD1-CZ 2.59Å; D52-R377 IonicContact OD1-NH2 3.68Å; D52-R377 PolarHBondContact OD1-NH2 3.28Å; D52-R377 IonicContact OD2-CZ 3.35Å; D52-R377 IonicContact OD2-NE 3.68Å; D52-R377 IonicContact OD2-NH1 3.72Å; D52-R377 PolarHBondContact OD2-NH1 3.09Å; D52-R377 IonicContact OD2-NH2 3.73Å; D52-R377 PolarHBondContact OD2-NH2 3.47Å; L375-R377 PolarHBondContact O-N 3.15Å; R377-N428 WeakPolarHBondContact CA-O 3.22Å; R377-N428 HydrophobicContact CG-CB 3.99Å; R377-N430 PolarHBondContact O-N 2.92Å; R377-S431 PolarHBondContact O-N 2.91Å; R377-Y433 PolarHBondContact NH2-OH 2.83Å; R377-Y433 VanDerWaalsContact NH2-OH 3.08Å
378	C	98.2	Very high	97.7	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	157	-172.3	67.6	0	0	0	0	115.4	Q48 L375 F429 S431 Y433	Q48-C378 PolarHBondContact OE1-SG 3.49Å; Q48-C378 VanDerWaalsContact OE1-SG 3.33Å; L375-C378 PolarHBondContact N-O 3.08Å; L375-C378 PolarHBondContact O-N 3.35Å; L375-C378 VanDerWaalsContact O-N 3.09Å; L375-C378 VanDerWaalsContact O-O 3.13Å; C378-F429 VanDerWaalsContact O-CE2 3.25Å; C378-F429 WeakPolarHBondContact O-CE2 3.44Å; C378-S431 WeakPolarHBondContact CA-O 3.43Å; C378-S431 WeakPolarHBondContact CB-O 3.43Å; C378-Y433 HydrophobicContact CB-CD2 3.36Å; C378-Y433 HydrophobicContact CB-CE2 3.46Å; C378-Y433 VanDerWaalsContact CB-CE2 3.46Å; C378-Y433 HydrophobicContact CB-CG 4.28Å; C378-Y433 VanDerWaalsContact SG-CD2 3.59Å
379	L	98.6	Very high	97.5	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	124.7	152.1	-173.5	158.6	0	0	0	108.2	I372 D373 L374 E403 Y406 V407 F429 S431 Y432 Y433	I372-L379 HydrophobicContact CB-CD2 4.06Å; I372-L379 HydrophobicContact CB-CG 4.28Å; I372-L379 HydrophobicContact CD1-CD1 3.81Å; I372-L379 HydrophobicContact CD1-CG 4.23Å; I372-L379 HydrophobicContact CG2-CD2 3.94Å; D373-L379 CarbonylContact O-C 3.52Å; D373-L379 WeakPolarHBondContact O-CA 3.4Å; L374-L379 HydrophobicContact CD2-CB 4.28Å; L374-L379 HydrophobicContact CD2-CD1 3.96Å; L374-L379 HydrophobicContact CD2-CG 4.02Å; L379-E403 HydrophobicContact CD1-CB 4.29Å; L379-E403 HydrophobicContact CD1-CG 4.47Å; L379-E403 HydrophobicContact CD2-CB 4.04Å; L379-E403 HydrophobicContact CD2-CG 4.18Å; L379-Y406 HydrophobicContact CD1-CD1 3.9Å; L379-V407 HydrophobicContact CB-CG2 3.4Å; L379-V407 HydrophobicContact CD1-CG2 4.13Å; L379-V407 HydrophobicContact CG-CG2 4.37Å; L379-F429 HydrophobicContact CB-CZ 4.06Å; L379-S431 PolarHBondContact N-O 3.12Å; L379-S431 VanDerWaalsContact N-O 3.08Å; L379-Y432 HydrophobicContact CD2-CD2 3.82Å; L379-Y432 HydrophobicContact CD2-CE2 3.77Å; L379-Y433 PolarHBondContact O-N 3.09Å
380	S	98.5	Very high	97.4	Very high	2 Å²	2	17.6 Å²	17.6	1%	0.014	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	115	172.2	175.2	0	0	0	0	110.4	I372 D373 V382	I372-S380 CarbonylContact C-O 3.53Å; I372-S380 VanDerWaalsContact CA-O 3.31Å; I372-S380 WeakPolarHBondContact CA-O 3.41Å; D373-S380 PolarHBondContact N-O 2.79Å; D373-S380 PolarHBondContact O-N 3.47Å; S380-V382 PolarHBondContact O-N 3.44Å
381	S	97.7	Very high	97.2	Very high	15 Å²	15	18.3 Å²	18.3	11%	0.105	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	98.2	172.1	-158.8	0	0	0	0	108.9	E403 Y432 Y433	S381-E403 WeakPolarHBondContact CB-OE2 3.43Å; S381-E403 PolarHBondContact OG-OE2 3.26Å; S381-Y432 WeakPolarHBondContact CB-OH 3.32Å; S381-Y432 PolarHBondContact OG-OH 3Å; S381-Y433 WeakPolarHBondContact CB-O 3.48Å; S381-Y433 PolarHBondContact N-O 2.98Å
382	V	97.1	Very high	97	Very high	39 Å²	39	19.9 Å²	19.9	24%	0.236	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	-48.3	-175.5	-179.2	0	0	0	0	109.7	V371 D373 S380	V371-V382 HydrophobicContact CB-CB 4.45Å; V371-V382 HydrophobicContact CG1-CB 4.18Å; V371-V382 WeakPolarHBondContact O-CA 3.42Å; V371-V382 VanDerWaalsContact O-CB 3.32Å; V371-V382 WeakPolarHBondContact O-CB 3.23Å; V371-V382 PolarHBondContact O-N 3.44Å; D373-V382 HydrophobicContact CB-CG2 4.49Å; D373-V382 WeakPolarHBondContact OD2-CG2 3.29Å; S380-V382 PolarHBondContact O-N 3.44Å
383	Y	96.6	Very high	96.9	Very high	69 Å²	69	19.9 Å²	19.9	27%	0.271	10%	0.099	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	153.7	-179.2	-158.5	-115.2	0	0	0	111.4	Y309 Q313 L333 V371 F385	Y309-Y383 HydrophobicContact CD2-CE1 4.5Å; Y309-Y383 HydrophobicContact CE2-CE1 4.41Å; Q313-Y383 PolarHBondContact NE2-OH 3.07Å; L333-Y383 HydrophobicContact CD1-CD1 3.95Å; L333-Y383 HydrophobicContact CD1-CE1 4.44Å; L333-Y383 HydrophobicContact CD2-CD1 3.94Å; L333-Y383 HydrophobicContact CD2-CG 4.09Å; V371-Y383 PolarHBondContact N-O 3.37Å; V371-Y383 PolarHBondContact O-N 2.87Å; Y383-F385 AromaticContact CD1-CD1 3.94Å; Y383-F385 HydrophobicContact CD1-CD1 3.94Å; Y383-F385 HydrophobicContact CE1-CB 4.34Å; Y383-F385 HydrophobicContact CE1-CD1 4.28Å
384	V	97.2	Very high	96.8	Very high	25 Å²	25	22.1 Å²	22.1	15%	0.152	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	136.3	173.5	172.5	0	0	0	0	108.2	V369 Y386 T399	V369-V384 WeakPolarHBondContact O-CA 3.29Å; V384-Y386 HydrophobicContact CG1-CD1 4.46Å; V384-T399 HydrophobicContact CG1-CG2 4.36Å
385	F	98.1	Very high	96.7	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	152	170.2	55.9	-87.5	0	0	0	109.5	S305 I308 Y309 Y312 F329 L333 V369 V371 Y383	S305-F385 WeakPolarHBondContact O-CE2 3.47Å; I308-F385 HydrophobicContact CB-CD2 4.2Å; I308-F385 HydrophobicContact CB-CE2 4.28Å; I308-F385 HydrophobicContact CG2-CD2 3.97Å; I308-F385 HydrophobicContact CG2-CE2 4.46Å; Y309-F385 HydrophobicContact CD2-CD1 4.35Å; Y309-F385 HydrophobicContact CD2-CG 4.42Å; Y312-F385 HydrophobicContact CD1-CB 3.57Å; Y312-F385 HydrophobicContact CD2-CB 4.3Å; Y312-F385 HydrophobicContact CE1-CB 4.15Å; Y312-F385 HydrophobicContact CG-CB 3.67Å; F329-F385 HydrophobicContact CE2-CE1 4.23Å; F329-F385 AromaticContact CE2-CZ 3.84Å; F329-F385 HydrophobicContact CE2-CZ 3.84Å; F329-F385 HydrophobicContact CZ-CZ 4.3Å; L333-F385 HydrophobicContact CD1-CD1 4.18Å; L333-F385 HydrophobicContact CD1-CE1 3.91Å; V369-F385 HydrophobicContact CB-CD1 4.48Å; V369-F385 HydrophobicContact CB-CD2 4.16Å; V369-F385 HydrophobicContact CB-CE1 3.93Å; V369-F385 HydrophobicContact CB-CE2 3.53Å; V369-F385 HydrophobicContact CB-CZ 3.42Å; V369-F385 VanDerWaalsContact CB-CZ 3.42Å; V369-F385 HydrophobicContact CG1-CE1 4.02Å; V369-F385 HydrophobicContact CG1-CE2 4.26Å; V369-F385 HydrophobicContact CG1-CZ 3.64Å; V369-F385 HydrophobicContact CG2-CD2 4.39Å; V369-F385 HydrophobicContact CG2-CE2 3.58Å; V369-F385 HydrophobicContact CG2-CZ 3.83Å; V369-F385 PolarHBondContact N-O 3.46Å; V369-F385 PolarHBondContact O-N 3.16Å; V369-F385 VanDerWaalsContact O-N 3.14Å; V371-F385 HydrophobicContact CG2-CE1 3.81Å; Y383-F385 AromaticContact CD1-CD1 3.94Å; Y383-F385 HydrophobicContact CD1-CD1 3.94Å; Y383-F385 HydrophobicContact CE1-CB 4.34Å; Y383-F385 HydrophobicContact CE1-CD1 4.28Å
386	Y	98.3	Very high	96.6	Very high	8 Å²	8	23.5 Å²	23.5	3%	0.031	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	160.3	-173.9	57.5	-101	0	0	0	112.3	D124 I308 Y312 I367 V384 P388 L395	D124-Y386 PolarHBondContact OD1-OH 3.03Å; I308-Y386 VanDerWaalsContact CG2-C 3.41Å; Y312-Y386 WeakPolarHBondContact CB-O 3.41Å; Y312-Y386 HydrophobicContact CD2-CD1 4.12Å; Y312-Y386 HydrophobicContact CD2-CD2 4.24Å; Y312-Y386 HydrophobicContact CD2-CE1 4.19Å; Y312-Y386 HydrophobicContact CD2-CE2 4.29Å; Y312-Y386 HydrophobicContact CD2-CG 4.15Å; Y312-Y386 WeakPolarHBondContact CD2-O 3.48Å; Y312-Y386 AromaticContact CE2-CD1 3.76Å; Y312-Y386 HydrophobicContact CE2-CD1 3.76Å; Y312-Y386 HydrophobicContact CE2-CD2 4.43Å; Y312-Y386 AromaticContact CE2-CE1 3.48Å; Y312-Y386 HydrophobicContact CE2-CE1 3.48Å; Y312-Y386 VanDerWaalsContact CE2-CE1 3.48Å; Y312-Y386 HydrophobicContact CE2-CE2 4.18Å; Y312-Y386 HydrophobicContact CE2-CG 4.24Å; Y312-Y386 AromaticContact CE2-CZ 3.69Å; I367-Y386 CarbonylContact O-C 3.42Å; I367-Y386 VanDerWaalsContact O-CA 3.3Å; I367-Y386 WeakPolarHBondContact O-CA 3.45Å; I367-Y386 VanDerWaalsContact O-CB 3.24Å; I367-Y386 WeakPolarHBondContact O-CB 3.26Å; V384-Y386 HydrophobicContact CG1-CD1 4.46Å; Y386-P388 VanDerWaalsContact O-CD 3.25Å; Y386-P388 WeakPolarHBondContact O-CD 3.49Å; Y386-L395 HydrophobicContact CD1-CB 3.88Å; Y386-L395 HydrophobicContact CD2-CB 4.29Å; Y386-L395 HydrophobicContact CD2-CD1 4.1Å; Y386-L395 HydrophobicContact CE1-CB 4.44Å; Y386-L395 HydrophobicContact CG-CB 3.79Å; Y386-L395 HydrophobicContact CG-CD1 4.01Å
387	D	97.7	Very high	96.7	Very high	10 Å²	10	24 Å²	24	5%	0.053	13%	0.127	C	C	.	.			trans	-64.7	115.4	175.3	-179.1	-12.8	0	0	0	109.2	I308 K365 I367 N389 Y390	I308-D387 HydrophobicContact CD1-CB 4.25Å; I308-D387 HydrophobicContact CG2-CB 4.46Å; K365-D387 VanDerWaalsContact CE-OD2 3.28Å; K365-D387 WeakPolarHBondContact CE-OD2 3.5Å; K365-D387 IonicContact NZ-OD2 2.78Å; K365-D387 PolarHBondContact NZ-OD2 3.44Å; I367-D387 PolarHBondContact O-N 2.83Å; D387-N389 PolarHBondContact O-N 3.2Å; D387-N389 VanDerWaalsContact OD1-CB 3.25Å; D387-N389 WeakPolarHBondContact OD1-CB 3.46Å; D387-N389 VanDerWaalsContact OD1-CG 3.3Å; D387-N389 PolarHBondContact OD1-N 3.1Å; D387-N389 PolarHBondContact OD1-ND2 3.39Å; D387-Y390 HydrophobicContact CB-CD2 3.82Å; D387-Y390 HydrophobicContact CB-CE2 4.36Å; D387-Y390 PolarHBondContact O-N 3.16Å; D387-Y390 WeakPolarHBondContact OD2-CE2 3.4Å
388	P	96.1	Very high	96.7	Very high	14 Å²	14	20.9 Å²	20.9	9%	0.091	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	-56.9	-24.5	-177.9	-25.2	35.1	0	0	0	114.1	Q311 H315 Y386 Y390 S391	Q311-P388 HydrophobicContact CB-CG 4.46Å; H315-P388 HydrophobicContact CB-CB 4.07Å; H315-P388 HydrophobicContact CB-CG 3.8Å; Y386-P388 VanDerWaalsContact O-CD 3.25Å; Y386-P388 WeakPolarHBondContact O-CD 3.49Å; P388-Y390 PolarHBondContact O-N 3.45Å; P388-Y390 VanDerWaalsContact O-N 3.16Å; P388-S391 WeakPolarHBondContact O-CB 3.21Å; P388-S391 PolarHBondContact O-N 3.44Å; P388-S391 PolarHBondContact O-OG 2.94Å
389	N	95.3	Very high	96.7	Very high	62 Å²	62	20.9 Å²	20.9	33%	0.332	12%	0.115	S	C	.	.	G	3₁₀ helix	trans	-61.4	-22.7	176	-62.6	-49.2	0	0	0	112.4	I128 D387 F392	I128-N389 PolarHBondContact O-OD1 2.99Å; D387-N389 PolarHBondContact O-N 3.2Å; D387-N389 VanDerWaalsContact OD1-CB 3.25Å; D387-N389 WeakPolarHBondContact OD1-CB 3.46Å; D387-N389 VanDerWaalsContact OD1-CG 3.3Å; D387-N389 PolarHBondContact OD1-N 3.1Å; D387-N389 PolarHBondContact OD1-ND2 3.39Å; N389-F392 WeakPolarHBondContact O-CD1 3.22Å; N389-F392 WeakPolarHBondContact O-CE1 3.13Å
390	Y	96.4	Very high	96.7	Very high	29 Å²	29	21.1 Å²	21.1	11%	0.114	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	-105.2	15	178.4	-61.2	-90.7	0	0	0	113.2	F100 L361 K365 I367 D387 P388 F392 L393	F100-Y390 HydrophobicContact CZ-CD1 4.36Å; F100-Y390 HydrophobicContact CZ-CE1 4.12Å; L361-Y390 HydrophobicContact CD2-CD1 4.44Å; L361-Y390 HydrophobicContact CD2-CE1 3.5Å; L361-Y390 VanDerWaalsContact CD2-CE1 3.5Å; K365-Y390 HydrophobicContact CD-CE2 4.18Å; K365-Y390 WeakPolarHBondContact CD-OH 2.99Å; K365-Y390 PolarHBondContact NZ-OH 2.9Å; K365-Y390 VanDerWaalsContact NZ-OH 3.16Å; I367-Y390 HydrophobicContact CB-CD2 4.1Å; I367-Y390 HydrophobicContact CB-CE2 4.42Å; I367-Y390 HydrophobicContact CB-CG 4.32Å; I367-Y390 HydrophobicContact CG2-CD1 4.36Å; I367-Y390 HydrophobicContact CG2-CD2 3.69Å; I367-Y390 HydrophobicContact CG2-CE1 4.24Å; I367-Y390 HydrophobicContact CG2-CE2 3.53Å; I367-Y390 HydrophobicContact CG2-CG 4.1Å; D387-Y390 HydrophobicContact CB-CD2 3.82Å; D387-Y390 HydrophobicContact CB-CE2 4.36Å; D387-Y390 PolarHBondContact O-N 3.16Å; D387-Y390 WeakPolarHBondContact OD2-CE2 3.4Å; P388-Y390 PolarHBondContact O-N 3.45Å; P388-Y390 VanDerWaalsContact O-N 3.16Å; Y390-F392 HydrophobicContact CD1-CE1 4.17Å; Y390-F392 HydrophobicContact CD1-CZ 4.01Å; Y390-F392 PolarHBondContact O-N 3.4Å; Y390-F392 VanDerWaalsContact O-N 3.07Å; Y390-L393 HydrophobicContact CD1-CD1 4.15Å; Y390-L393 WeakPolarHBondContact O-CB 3.31Å; Y390-L393 PolarHBondContact O-N 3.49Å
391	S	93.8	Very high	96.7	Very high	16 Å²	16	21 Å²	21	11%	0.112	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-52.8	-29.8	176.2	52	0	0	0	0	113.4	P388 L393 H394	P388-S391 WeakPolarHBondContact O-CB 3.21Å; P388-S391 PolarHBondContact O-N 3.44Å; P388-S391 PolarHBondContact O-OG 2.94Å; S391-L393 PolarHBondContact O-N 2.83Å; S391-L393 VanDerWaalsContact O-N 3.11Å; S391-H394 PolarHBondContact O-N 2.92Å
392	F	94.3	Very high	96.7	Very high	36 Å²	36	21 Å²	21	16%	0.158	11%	0.114	C	C	.	.	G	3₁₀ helix	trans	-60.3	-19.2	176.1	65.8	-96.1	0	0	0	114	F100 L106 P107 N389 Y390 H394	F100-F392 AromaticContact CD2-CE2 3.83Å; F100-F392 HydrophobicContact CD2-CE2 3.83Å; F100-F392 HydrophobicContact CD2-CZ 4.13Å; F100-F392 HydrophobicContact CE2-CE2 4.04Å; F100-F392 AromaticContact CE2-CZ 3.85Å; F100-F392 HydrophobicContact CE2-CZ 3.85Å; F100-F392 HydrophobicContact CG-CE2 4.28Å; F100-F392 HydrophobicContact CZ-CZ 4.3Å; L106-F392 HydrophobicContact CD2-CD1 4.38Å; L106-F392 HydrophobicContact CD2-CD2 3.78Å; L106-F392 HydrophobicContact CD2-CE1 3.92Å; L106-F392 HydrophobicContact CD2-CE2 3.24Å; L106-F392 HydrophobicContact CD2-CG 4.32Å; L106-F392 HydrophobicContact CD2-CZ 3.34Å; P107-F392 HydrophobicContact CG-CD2 4.29Å; P107-F392 WeakPolarHBondContact CG-O 3.46Å; N389-F392 WeakPolarHBondContact O-CD1 3.22Å; N389-F392 WeakPolarHBondContact O-CE1 3.13Å; Y390-F392 HydrophobicContact CD1-CE1 4.17Å; Y390-F392 HydrophobicContact CD1-CZ 4.01Å; Y390-F392 PolarHBondContact O-N 3.4Å; Y390-F392 VanDerWaalsContact O-N 3.07Å; F392-H394 VanDerWaalsContact C-N 3.35Å
393	L	96.2	Very high	96.8	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	-85.3	-5.1	175.9	-63	175.5	0	0	0	113.4	M97 F100 Y390 S391 L395	M97-L393 HydrophobicContact CE-CB 4.14Å; M97-L393 HydrophobicContact CE-CD1 3.88Å; M97-L393 HydrophobicContact CE-CG 4.42Å; M97-L393 HydrophobicContact SD-CD1 4.03Å; M97-L393 HydrophobicContact SD-CD2 4.34Å; F100-L393 HydrophobicContact CB-CD2 3.72Å; F100-L393 HydrophobicContact CD1-CD1 3.74Å; F100-L393 HydrophobicContact CD1-CD2 3.93Å; F100-L393 HydrophobicContact CD1-CG 4.46Å; F100-L393 HydrophobicContact CE1-CD1 3.86Å; F100-L393 HydrophobicContact CG-CD1 4.35Å; F100-L393 HydrophobicContact CG-CD2 3.8Å; Y390-L393 HydrophobicContact CD1-CD1 4.15Å; Y390-L393 WeakPolarHBondContact O-CB 3.31Å; Y390-L393 PolarHBondContact O-N 3.49Å; S391-L393 PolarHBondContact O-N 2.83Å; S391-L393 VanDerWaalsContact O-N 3.11Å; L393-L395 HydrophobicContact CB-CD2 3.95Å; L393-L395 HydrophobicContact CB-CG 4.1Å; L393-L395 HydrophobicContact CD1-CD2 4.37Å
394	H	95.4	Very high	96.9	Very high	47 Å²	47	15.9 Å²	15.9	22%	0.218	9%	0.09	C	C	.	.			trans	52.8	52.4	-174.7	-58.8	-73	0	0	0	112.3	V93 D124 S391 F392 G396 T397 Y398	V93-H394 HydrophobicContact CG1-CB 4.32Å; V93-H394 HydrophobicContact CG2-CB 4.03Å; D124-H394 IonicContact OD2-ND1 3.84Å; D124-H394 PolarHBondContact OD2-ND1 2.91Å; S391-H394 PolarHBondContact O-N 2.92Å; F392-H394 VanDerWaalsContact C-N 3.35Å; H394-G396 PolarHBondContact O-N 3.14Å; H394-G396 VanDerWaalsContact O-N 3.15Å; H394-T397 PolarHBondContact O-N 2.68Å; H394-Y398 PolarHBondContact O-N 3.3Å
395	L	96.7	Very high	96.9	Very high	1 Å²	1	15.3 Å²	15.3	1%	0.005	9%	0.088	C	C	.	.	H	α-helix	trans	-56.3	-35.4	-170.2	-69.8	173.4	0	0	0	112.9	M97 I367 A368 Y386 L393 T397 Y398 T399	M97-L395 HydrophobicContact CE-CD2 3.78Å; I367-L395 HydrophobicContact CD1-CD1 4.42Å; I367-L395 HydrophobicContact CD1-CD2 4.24Å; A368-L395 HydrophobicContact CB-CB 4.49Å; A368-L395 HydrophobicContact CB-CD1 4.29Å; Y386-L395 HydrophobicContact CD1-CB 3.88Å; Y386-L395 HydrophobicContact CD2-CB 4.29Å; Y386-L395 HydrophobicContact CD2-CD1 4.1Å; Y386-L395 HydrophobicContact CE1-CB 4.44Å; Y386-L395 HydrophobicContact CG-CB 3.79Å; Y386-L395 HydrophobicContact CG-CD1 4.01Å; L393-L395 HydrophobicContact CB-CD2 3.95Å; L393-L395 HydrophobicContact CB-CG 4.1Å; L393-L395 HydrophobicContact CD1-CD2 4.37Å; L395-T397 VanDerWaalsContact C-N 3.28Å; L395-T397 PolarHBondContact O-N 3.39Å; L395-Y398 HydrophobicContact CD2-CD1 4.41Å; L395-Y398 PolarHBondContact O-N 3.37Å; L395-Y398 VanDerWaalsContact O-N 3.12Å; L395-T399 WeakPolarHBondContact O-CG2 3.41Å; L395-T399 PolarHBondContact O-N 3.25Å; L395-T399 PolarHBondContact O-OG1 2.82Å
396	G	94.8	Very high	96.9	Very high	29 Å²	29	15.9 Å²	15.9	30%	0.299	9%	0.09	S	C	.	.	H	α-helix	trans	-59.6	-33.6	174.8	0	0	0	0	0	114.7	H394 T399	H394-G396 PolarHBondContact O-N 3.14Å; H394-G396 VanDerWaalsContact O-N 3.15Å; G396-T399 PolarHBondContact O-OG1 3.36Å
397	T	96.2	Very high	96.9	Very high	36 Å²	36	15.5 Å²	15.5	22%	0.221	9%	0.088	C	C	.	.	H	α-helix	trans	-80.3	-38.6	173.1	-59.3	0	0	0	0	111.1	V93 H394 L395 A400 L401	V93-T397 HydrophobicContact CB-CG2 4.31Å; V93-T397 HydrophobicContact CG1-CG2 4.28Å; V93-T397 HydrophobicContact CG2-CG2 3.92Å; H394-T397 PolarHBondContact O-N 2.68Å; L395-T397 VanDerWaalsContact C-N 3.28Å; L395-T397 PolarHBondContact O-N 3.39Å; T397-A400 PolarHBondContact O-N 3.4Å; T397-L401 HydrophobicContact CG2-CD1 4.1Å; T397-L401 HydrophobicContact CG2-CG 4.43Å; T397-L401 VanDerWaalsContact O-CG 3.28Å; T397-L401 WeakPolarHBondContact O-CG 3.45Å; T397-L401 PolarHBondContact O-N 2.74Å
398	Y	98	Very high	96.8	Very high	1 Å²	1	16.6 Å²	16.6	0%	0.004	9%	0.092	C	C	.	.	H	α-helix	trans	-61.8	-45.3	179.3	-179.8	-102.4	0	0	0	112.3	L94 M97 L270 E273 Y359 H394 L395 L401 R402	L94-Y398 HydrophobicContact CD2-CD2 4.39Å; L94-Y398 HydrophobicContact CD2-CE2 4.36Å; M97-Y398 HydrophobicContact CB-CD2 4.08Å; M97-Y398 HydrophobicContact CB-CE2 3.89Å; M97-Y398 HydrophobicContact CE-CD1 3.63Å; M97-Y398 HydrophobicContact CE-CD2 3.93Å; M97-Y398 HydrophobicContact CE-CE1 3.68Å; M97-Y398 HydrophobicContact CE-CE2 3.99Å; M97-Y398 HydrophobicContact CE-CG 3.75Å; M97-Y398 HydrophobicContact CG-CD2 4.09Å; M97-Y398 HydrophobicContact CG-CE2 3.54Å; L270-Y398 HydrophobicContact CD2-CE2 4.32Å; E273-Y398 WeakPolarHBondContact OE1-CE2 3.38Å; E273-Y398 PolarHBondContact OE1-OH 2.85Å; E273-Y398 PolarHBondContact OE2-OH 2.94Å; Y359-Y398 HydrophobicContact CD1-CD1 4.44Å; Y359-Y398 HydrophobicContact CD1-CE1 4.02Å; Y359-Y398 HydrophobicContact CE1-CD1 4.33Å; Y359-Y398 HydrophobicContact CE1-CE1 4.02Å; H394-Y398 PolarHBondContact O-N 3.3Å; L395-Y398 HydrophobicContact CD2-CD1 4.41Å; L395-Y398 PolarHBondContact O-N 3.37Å; L395-Y398 VanDerWaalsContact O-N 3.12Å; Y398-L401 WeakPolarHBondContact O-CB 3.38Å; Y398-L401 PolarHBondContact O-N 2.92Å; Y398-R402 HydrophobicContact CD1-CG 4.27Å; Y398-R402 HydrophobicContact CE1-CG 3.8Å; Y398-R402 HydrophobicContact CE2-CG 4.31Å; Y398-R402 PolarHBondContact O-N 3.15Å; Y398-R402 PolarHBondContact OH-NE 3.13Å; Y398-R402 PolarHBondContact OH-NH2 2.81Å; Y398-R402 VanDerWaalsContact OH-NH2 3.11Å
399	T	98.2	Very high	96.7	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-64.2	-43.5	177.6	60.2	0	0	0	0	111.2	Y359 A368 V384 L395 G396 L401 R402 E403	Y359-T399 HydrophobicContact CD2-CG2 3.95Å; Y359-T399 HydrophobicContact CE1-CG2 4.16Å; Y359-T399 HydrophobicContact CE2-CG2 3.48Å; Y359-T399 VanDerWaalsContact CE2-CG2 3.48Å; Y359-T399 HydrophobicContact CG-CG2 4.49Å; Y359-T399 WeakPolarHBondContact OH-CA 3.49Å; A368-T399 HydrophobicContact CB-CG2 4.12Å; V384-T399 HydrophobicContact CG1-CG2 4.36Å; L395-T399 WeakPolarHBondContact O-CG2 3.41Å; L395-T399 PolarHBondContact O-N 3.25Å; L395-T399 PolarHBondContact O-OG1 2.82Å; G396-T399 PolarHBondContact O-OG1 3.36Å; T399-L401 VanDerWaalsContact C-N 3.28Å; T399-L401 PolarHBondContact O-N 3.3Å; T399-R402 CarbonylContact O-C 3.46Å; T399-R402 WeakPolarHBondContact O-CB 3.24Å; T399-R402 PolarHBondContact O-N 2.88Å; T399-R402 VanDerWaalsContact O-N 3.08Å; T399-E403 WeakPolarHBondContact O-CB 3.41Å; T399-E403 VanDerWaalsContact O-CG 3.32Å; T399-E403 WeakPolarHBondContact O-CG 3.3Å; T399-E403 PolarHBondContact O-N 2.6Å
400	A	98	Very high	96.7	Very high	4 Å²	4	17.2 Å²	17.2	3%	0.033	9%	0.091	C	C	.	.	H	α-helix	trans	-58.8	-39.4	175.7	0	0	0	0	0	112.6	T397 E403 I404 Y432 Y450	T397-A400 PolarHBondContact O-N 3.4Å; A400-E403 PolarHBondContact O-N 2.97Å; A400-I404 VanDerWaalsContact O-CG1 3.3Å; A400-I404 WeakPolarHBondContact O-CG1 3.48Å; A400-I404 PolarHBondContact O-N 2.92Å; A400-Y432 HydrophobicContact CB-CE1 4.31Å; A400-Y432 WeakPolarHBondContact CB-OH 3.35Å; A400-Y450 HydrophobicContact CB-CE1 3.97Å; A400-Y450 WeakPolarHBondContact CB-OH 3.48Å
401	L	98.4	Very high	96.5	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-65.1	-45.8	174	-71.3	173.8	0	0	0	111.1	F84 L86 H90 L94 I266 T397 Y398 T399 E403 I404 A405 Y450	F84-L401 HydrophobicContact CE1-CD2 3.86Å; F84-L401 HydrophobicContact CZ-CD2 3.58Å; L86-L401 HydrophobicContact CD2-CD2 4.04Å; H90-L401 HydrophobicContact CB-CD1 4.02Å; H90-L401 HydrophobicContact CB-CD2 4.01Å; L94-L401 HydrophobicContact CD1-CD1 4.18Å; L94-L401 HydrophobicContact CD2-CD1 4.07Å; L94-L401 HydrophobicContact CG-CD1 3.88Å; I266-L401 HydrophobicContact CD1-CB 3.74Å; I266-L401 HydrophobicContact CD1-CD2 3.94Å; I266-L401 HydrophobicContact CD1-CG 4.42Å; I266-L401 WeakPolarHBondContact CD1-O 3.46Å; T397-L401 HydrophobicContact CG2-CD1 4.1Å; T397-L401 HydrophobicContact CG2-CG 4.43Å; T397-L401 VanDerWaalsContact O-CG 3.28Å; T397-L401 WeakPolarHBondContact O-CG 3.45Å; T397-L401 PolarHBondContact O-N 2.74Å; Y398-L401 WeakPolarHBondContact O-CB 3.38Å; Y398-L401 PolarHBondContact O-N 2.92Å; T399-L401 VanDerWaalsContact C-N 3.28Å; T399-L401 PolarHBondContact O-N 3.3Å; L401-E403 VanDerWaalsContact C-N 3.33Å; L401-E403 PolarHBondContact O-N 3.32Å; L401-I404 PolarHBondContact O-N 3.06Å; L401-A405 PolarHBondContact O-N 3.25Å; L401-Y450 HydrophobicContact CD2-CE1 4.41Å
402	R	98.4	Very high	96.3	Very high	16 Å²	16	23.5 Å²	23.5	6%	0.06	12%	0.118	C	C	.	.	H	α-helix	trans	-61.1	-39.6	175.6	-78.7	-78.3	-164.6	171.2	4.4	112.4	N143 L270 E273 I285 Y359 Y398 T399 A405 Y406	N143-R402 PolarHBondContact OD1-NH1 3.37Å; L270-R402 HydrophobicContact CD2-CG 4.35Å; E273-R402 IonicContact OE1-NH2 3.36Å; E273-R402 IonicContact OE2-CZ 2.73Å; E273-R402 IonicContact OE2-NH2 3.58Å; E273-R402 PolarHBondContact OE2-NH2 3.17Å; I285-R402 HydrophobicContact CD1-CG 4.23Å; I285-R402 VanDerWaalsContact CD1-CZ 3.46Å; Y359-R402 HydrophobicContact CE1-CB 3.99Å; Y359-R402 HydrophobicContact CE1-CG 3.96Å; Y359-R402 VanDerWaalsContact OH-CB 3.31Å; Y359-R402 WeakPolarHBondContact OH-CB 3.23Å; Y398-R402 HydrophobicContact CD1-CG 4.27Å; Y398-R402 HydrophobicContact CE1-CG 3.8Å; Y398-R402 HydrophobicContact CE2-CG 4.31Å; Y398-R402 PolarHBondContact O-N 3.15Å; Y398-R402 PolarHBondContact OH-NE 3.13Å; Y398-R402 PolarHBondContact OH-NH2 2.81Å; Y398-R402 VanDerWaalsContact OH-NH2 3.11Å; T399-R402 CarbonylContact O-C 3.46Å; T399-R402 WeakPolarHBondContact O-CB 3.24Å; T399-R402 PolarHBondContact O-N 2.88Å; T399-R402 VanDerWaalsContact O-N 3.08Å; R402-A405 PolarHBondContact O-N 2.68Å; R402-Y406 WeakPolarHBondContact O-CB 3.3Å; R402-Y406 PolarHBondContact O-N 2.83Å
403	E	98.6	Very high	96.1	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-64.2	-43.4	175.3	-73.5	168.8	-154.6	0	0	111.7	I372 L379 S381 T399 A400 L401 Y406 V407 Y432	I372-E403 HydrophobicContact CG2-CG 4.29Å; L379-E403 HydrophobicContact CD1-CB 4.29Å; L379-E403 HydrophobicContact CD1-CG 4.47Å; L379-E403 HydrophobicContact CD2-CB 4.04Å; L379-E403 HydrophobicContact CD2-CG 4.18Å; S381-E403 WeakPolarHBondContact CB-OE2 3.43Å; S381-E403 PolarHBondContact OG-OE2 3.26Å; T399-E403 WeakPolarHBondContact O-CB 3.41Å; T399-E403 VanDerWaalsContact O-CG 3.32Å; T399-E403 WeakPolarHBondContact O-CG 3.3Å; T399-E403 PolarHBondContact O-N 2.6Å; A400-E403 PolarHBondContact O-N 2.97Å; L401-E403 VanDerWaalsContact C-N 3.33Å; L401-E403 PolarHBondContact O-N 3.32Å; E403-Y406 WeakPolarHBondContact O-CB 3.02Å; E403-Y406 PolarHBondContact O-N 3.28Å; E403-V407 WeakPolarHBondContact O-CG2 3.46Å; E403-V407 PolarHBondContact O-N 3.18Å; E403-Y432 HydrophobicContact CB-CD2 4.19Å; E403-Y432 HydrophobicContact CB-CE2 3.63Å; E403-Y432 HydrophobicContact CG-CE2 4.47Å; E403-Y432 WeakPolarHBondContact OE2-CE2 3.33Å; E403-Y432 PolarHBondContact OE2-OH 2.95Å; E403-Y432 VanDerWaalsContact OE2-OH 3.09Å
404	I	98.6	Very high	95.8	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-61.3	-46.3	173.5	-70.3	165.9	0	0	0	111.4	A81 F84 A400 L401 Y406 V407 R408 Y432 Y450	A81-I404 HydrophobicContact CB-CG2 4.18Å; F84-I404 HydrophobicContact CB-CG2 3.87Å; F84-I404 HydrophobicContact CD1-CG2 3.74Å; F84-I404 HydrophobicContact CD2-CD1 3.97Å; F84-I404 HydrophobicContact CE1-CD1 4.43Å; F84-I404 HydrophobicContact CE1-CG2 4.38Å; F84-I404 HydrophobicContact CE2-CD1 3.89Å; F84-I404 HydrophobicContact CG-CD1 4.27Å; F84-I404 HydrophobicContact CG-CG2 3.8Å; F84-I404 HydrophobicContact CZ-CD1 4.11Å; A400-I404 VanDerWaalsContact O-CG1 3.3Å; A400-I404 WeakPolarHBondContact O-CG1 3.48Å; A400-I404 PolarHBondContact O-N 2.92Å; L401-I404 PolarHBondContact O-N 3.06Å; I404-Y406 PolarHBondContact O-N 3.03Å; I404-V407 PolarHBondContact O-N 2.85Å; I404-R408 PolarHBondContact O-N 3.11Å; I404-R408 VanDerWaalsContact O-N 3.12Å; I404-Y432 HydrophobicContact CD1-CD1 3.79Å; I404-Y432 HydrophobicContact CD1-CE1 4.1Å; I404-Y432 HydrophobicContact CG1-CD1 3.44Å; I404-Y432 VanDerWaalsContact CG1-CD1 3.44Å; I404-Y432 HydrophobicContact CG1-CD2 4.39Å; I404-Y432 HydrophobicContact CG1-CE1 3.96Å; I404-Y432 HydrophobicContact CG1-CG 3.68Å; I404-Y450 HydrophobicContact CD1-CD1 3.61Å; I404-Y450 HydrophobicContact CD1-CE1 4.26Å; I404-Y450 HydrophobicContact CD1-CG 4.4Å
405	A	98.3	Very high	95.2	Very high	13 Å²	13	24.3 Å²	24.3	11%	0.107	13%	0.127	C	C	.	.	H	α-helix	trans	-61.9	-35.3	176.1	0	0	0	0	0	111.4	I266 L270 L401 R402 R408 H409	I266-A405 HydrophobicContact CD1-CB 4.07Å; I266-A405 HydrophobicContact CG1-CB 4.3Å; I266-A405 HydrophobicContact CG2-CB 4.25Å; L270-A405 HydrophobicContact CD1-CB 3.46Å; L270-A405 VanDerWaalsContact CD1-CB 3.46Å; L401-A405 PolarHBondContact O-N 3.25Å; R402-A405 PolarHBondContact O-N 2.68Å; A405-R408 PolarHBondContact O-N 3.3Å; A405-H409 WeakPolarHBondContact O-CB 3.18Å; A405-H409 PolarHBondContact O-N 3.36Å
406	Y	97.9	Very high	94	Very high	12 Å²	12	27 Å²	27	5%	0.047	15%	0.146	C	C	.	.	H	α-helix	trans	-67.7	-40	176.1	-168.8	-130.1	0	0	0	112.1	V144 L287 P350 L374 L379 R402 E403 I404 R408 H409 L410	V144-Y406 HydrophobicContact CB-CD2 4.46Å; V144-Y406 HydrophobicContact CB-CE2 4Å; V144-Y406 HydrophobicContact CG1-CD2 4.43Å; V144-Y406 HydrophobicContact CG1-CE2 3.71Å; V144-Y406 HydrophobicContact CG2-CD2 4.21Å; V144-Y406 HydrophobicContact CG2-CE2 4.24Å; L287-Y406 HydrophobicContact CD2-CE1 4.12Å; L287-Y406 VanDerWaalsContact CD2-OH 3.27Å; L287-Y406 WeakPolarHBondContact CD2-OH 3.46Å; P350-Y406 WeakPolarHBondContact CG-OH 3.47Å; L374-Y406 HydrophobicContact CD2-CE1 4.43Å; L379-Y406 HydrophobicContact CD1-CD1 3.9Å; R402-Y406 WeakPolarHBondContact O-CB 3.3Å; R402-Y406 PolarHBondContact O-N 2.83Å; E403-Y406 WeakPolarHBondContact O-CB 3.02Å; E403-Y406 PolarHBondContact O-N 3.28Å; I404-Y406 PolarHBondContact O-N 3.03Å; Y406-R408 VanDerWaalsContact C-N 3.34Å; Y406-R408 PolarHBondContact O-N 2.86Å; Y406-H409 WeakPolarHBondContact O-CB 3.47Å; Y406-H409 PolarHBondContact O-N 2.76Å; Y406-L410 HydrophobicContact CD1-CD1 4.12Å; Y406-L410 HydrophobicContact CD2-CG 4.26Å; Y406-L410 HydrophobicContact CE1-CD1 3.65Å; Y406-L410 HydrophobicContact CE1-CG 4.22Å; Y406-L410 HydrophobicContact CE2-CD1 4.25Å; Y406-L410 HydrophobicContact CE2-CD2 3.78Å; Y406-L410 HydrophobicContact CE2-CG 3.91Å; Y406-L410 WeakPolarHBondContact O-CG 3.45Å; Y406-L410 PolarHBondContact O-N 3.23Å
407	V	97.9	Very high	92.6	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-58	-47.1	172.4	174.9	0	0	0	0	111.4	A81 L379 E403 I404 H409 L410 S411 F429	A81-V407 HydrophobicContact CB-CB 3.73Å; A81-V407 HydrophobicContact CB-CG1 3.47Å; A81-V407 VanDerWaalsContact CB-CG1 3.47Å; A81-V407 HydrophobicContact CB-CG2 4.44Å; L379-V407 HydrophobicContact CB-CG2 3.4Å; L379-V407 HydrophobicContact CD1-CG2 4.13Å; L379-V407 HydrophobicContact CG-CG2 4.37Å; E403-V407 WeakPolarHBondContact O-CG2 3.46Å; E403-V407 PolarHBondContact O-N 3.18Å; I404-V407 PolarHBondContact O-N 2.85Å; V407-H409 VanDerWaalsContact C-N 3.32Å; V407-H409 PolarHBondContact O-N 2.62Å; V407-L410 PolarHBondContact O-N 2.81Å; V407-S411 VanDerWaalsContact O-CB 3.27Å; V407-S411 WeakPolarHBondContact O-CB 3.5Å; V407-S411 PolarHBondContact O-N 3.26Å; V407-F429 HydrophobicContact CB-CE1 4.17Å; V407-F429 HydrophobicContact CG1-CD1 3.99Å; V407-F429 HydrophobicContact CG1-CE1 3.89Å; V407-F429 HydrophobicContact CG2-CE1 4.02Å; V407-F429 HydrophobicContact CG2-CZ 4.46Å
408	R	96.1	Very high	90.9	Very high	33 Å²	33	38.9 Å²	38.9	13%	0.125	20%	0.201	C	C	.	.	H	α-helix	trans	-60.3	-42.6	176.1	-71.8	179.5	167.6	-170.6	-5.8	112.3	A81 L82 F84 E267 I404 A405 Y406 K412	A81-R408 PolarHBondContact O-NE 2.69Å; A81-R408 PolarHBondContact O-NH2 2.84Å; L82-R408 HydrophobicContact CD2-CG 4.06Å; L82-R408 PolarHBondContact O-NH2 2.92Å; F84-R408 VanDerWaalsContact N-NH2 3.13Å; F84-R408 PolarHBondContact O-NH2 3.46Å; E267-R408 WeakPolarHBondContact OE1-CD 3.37Å; E267-R408 IonicContact OE1-NE 2.89Å; E267-R408 IonicContact OE1-NH1 3.72Å; E267-R408 IonicContact OE2-NH1 3.9Å; E267-R408 PolarHBondContact OE2-NH1 3.41Å; I404-R408 PolarHBondContact O-N 3.11Å; I404-R408 VanDerWaalsContact O-N 3.12Å; A405-R408 PolarHBondContact O-N 3.3Å; Y406-R408 VanDerWaalsContact C-N 3.34Å; Y406-R408 PolarHBondContact O-N 2.86Å; R408-K412 VanDerWaalsContact O-CB 3.26Å; R408-K412 WeakPolarHBondContact O-CB 3.48Å; R408-K412 PolarHBondContact O-N 3.17Å
409	H	94.3	Very high	89.3	Confident	88 Å²	88	40.3 Å²	40.3	41%	0.407	21%	0.211	S	C	.	.	H	α-helix	trans	-60.9	-51.6	178.6	177.5	72	0	0	0	111.5	A405 Y406 V407 K412 L413	A405-H409 WeakPolarHBondContact O-CB 3.18Å; A405-H409 PolarHBondContact O-N 3.36Å; Y406-H409 WeakPolarHBondContact O-CB 3.47Å; Y406-H409 PolarHBondContact O-N 2.76Å; V407-H409 VanDerWaalsContact C-N 3.32Å; V407-H409 PolarHBondContact O-N 2.62Å; H409-K412 PolarHBondContact O-N 2.81Å; H409-L413 WeakPolarHBondContact CE1-CD1 3.25Å; H409-L413 VanDerWaalsContact NE2-CD1 3.27Å; H409-L413 WeakPolarHBondContact NE2-CD1 3.49Å; H409-L413 WeakPolarHBondContact O-CG 3.32Å; H409-L413 PolarHBondContact O-N 2.83Å
410	L	93.6	Very high	88	Confident	1 Å²	1	49 Å²	49	1%	0.005	26%	0.255	C	S	.	.	H	α-helix	trans	-63	-45.4	178.5	-64.8	-176	0	0	0	111.9	P350 L374 Y406 V407 K412 L413 Y414 Y426 F429	P350-L410 HydrophobicContact CG-CD2 3.77Å; L374-L410 HydrophobicContact CD1-CD1 4.45Å; L374-L410 HydrophobicContact CD2-CD1 4.39Å; Y406-L410 HydrophobicContact CD1-CD1 4.12Å; Y406-L410 HydrophobicContact CD2-CG 4.26Å; Y406-L410 HydrophobicContact CE1-CD1 3.65Å; Y406-L410 HydrophobicContact CE1-CG 4.22Å; Y406-L410 HydrophobicContact CE2-CD1 4.25Å; Y406-L410 HydrophobicContact CE2-CD2 3.78Å; Y406-L410 HydrophobicContact CE2-CG 3.91Å; Y406-L410 WeakPolarHBondContact O-CG 3.45Å; Y406-L410 PolarHBondContact O-N 3.23Å; V407-L410 PolarHBondContact O-N 2.81Å; L410-K412 VanDerWaalsContact C-N 3.32Å; L410-K412 PolarHBondContact O-N 3.36Å; L410-L413 PolarHBondContact O-N 3.46Å; L410-Y414 HydrophobicContact CB-CD2 4.25Å; L410-Y414 HydrophobicContact CD2-CD2 3.97Å; L410-Y414 HydrophobicContact CD2-CE2 3.62Å; L410-Y414 WeakPolarHBondContact O-CB 3.15Å; L410-Y414 VanDerWaalsContact O-CD2 3.29Å; L410-Y414 WeakPolarHBondContact O-CD2 3.27Å; L410-Y414 PolarHBondContact O-N 2.99Å; L410-Y426 HydrophobicContact CB-CD1 4.17Å; L410-Y426 HydrophobicContact CB-CE1 3.85Å; L410-Y426 HydrophobicContact CD1-CE1 3.85Å; L410-Y426 HydrophobicContact CG-CE1 4.4Å; L410-F429 HydrophobicContact CB-CD1 4.26Å; L410-F429 HydrophobicContact CB-CE1 4.12Å; L410-F429 HydrophobicContact CD1-CE1 3.96Å; L410-F429 HydrophobicContact CD1-CZ 4.24Å
411	S	93.1	Very high	86.9	Confident	10 Å²	10	52.8 Å²	52.8	7%	0.07	27%	0.272	C	S	.	.	I	π-helix	trans	-58	-45.1	176.7	-169.6	0	0	0	0	111.5	V407 L413 S415 F429	V407-S411 VanDerWaalsContact O-CB 3.27Å; V407-S411 WeakPolarHBondContact O-CB 3.5Å; V407-S411 PolarHBondContact O-N 3.26Å; S411-L413 PolarHBondContact O-N 3.22Å; S411-S415 WeakPolarHBondContact O-CA 3.35Å; S411-S415 WeakPolarHBondContact O-CB 3.41Å; S411-S415 PolarHBondContact O-N 3.47Å; S411-F429 VanDerWaalsContact CB-O 3.24Å; S411-F429 WeakPolarHBondContact CB-O 3.45Å; S411-F429 PolarHBondContact OG-O 2.94Å; S411-F429 VanDerWaalsContact OG-O 3.08Å
412	K	90	Very high	85.9	Confident	166 Å²	166	55.8 Å²	55.8	72%	0.722	29%	0.294	S	S	*	.	I	π-helix	trans	-64.4	-42.1	178.5	-176.5	177.8	178.2	-178.6	0	112.9	R408 H409 L410	R408-K412 VanDerWaalsContact O-CB 3.26Å; R408-K412 WeakPolarHBondContact O-CB 3.48Å; R408-K412 PolarHBondContact O-N 3.17Å; H409-K412 PolarHBondContact O-N 2.81Å; L410-K412 VanDerWaalsContact C-N 3.32Å; L410-K412 PolarHBondContact O-N 3.36Å
413	L	89	Confident	85.2	Confident	51 Å²	51	55.7 Å²	55.7	27%	0.267	29%	0.294	S	S	.	.	I	π-helix	trans	-72.9	-42.7	-177.9	-73.7	-175.1	0	0	0	112.8	H409 L410 S411 S419	H409-L413 WeakPolarHBondContact CE1-CD1 3.25Å; H409-L413 VanDerWaalsContact NE2-CD1 3.27Å; H409-L413 WeakPolarHBondContact NE2-CD1 3.49Å; H409-L413 WeakPolarHBondContact O-CG 3.32Å; H409-L413 PolarHBondContact O-N 2.83Å; L410-L413 PolarHBondContact O-N 3.46Å; S411-L413 PolarHBondContact O-N 3.22Å; L413-S419 VanDerWaalsContact O-CB 3.28Å; L413-S419 WeakPolarHBondContact O-CB 3.36Å; L413-S419 PolarHBondContact O-OG 3.28Å
414	Y	90.1	Very high	84.5	Confident	21 Å²	21	62 Å²	62	8%	0.082	33%	0.327	C	S	.	.	I	π-helix	trans	-109.4	-27.5	-165	-59.3	-65.2	0	0	0	113.6	T348 S349 L410 Q421 S422 D423 Y426	T348-Y414 PolarHBondContact O-OH 3.27Å; S349-Y414 VanDerWaalsContact CA-CE1 3.48Å; S349-Y414 VanDerWaalsContact CA-CZ 3.47Å; L410-Y414 HydrophobicContact CB-CD2 4.25Å; L410-Y414 HydrophobicContact CD2-CD2 3.97Å; L410-Y414 HydrophobicContact CD2-CE2 3.62Å; L410-Y414 WeakPolarHBondContact O-CB 3.15Å; L410-Y414 VanDerWaalsContact O-CD2 3.29Å; L410-Y414 WeakPolarHBondContact O-CD2 3.27Å; L410-Y414 PolarHBondContact O-N 2.99Å; Y414-Q421 HydrophobicContact CD1-CB 4.23Å; Y414-Q421 WeakPolarHBondContact CD1-O 3.32Å; Y414-Q421 HydrophobicContact CE1-CB 4.04Å; Y414-S422 CarbonylContact O-C 3.47Å; Y414-S422 WeakPolarHBondContact O-CA 3.31Å; Y414-D423 HydrophobicContact CD1-CB 4.32Å; Y414-D423 PolarHBondContact O-N 3.43Å; Y414-Y426 HydrophobicContact CG-CD2 4.29Å; Y414-Y426 HydrophobicContact CG-CG 4.44Å
415	S	83.8	Confident	84	Confident	29 Å²	29	63.8 Å²	63.8	20%	0.203	34%	0.336	C	S	.	.	I	π-helix	trans	-80.1	-24.7	-175.7	-157.9	0	0	0	0	113.8	S411 N417 Y426 S427	S411-S415 WeakPolarHBondContact O-CA 3.35Å; S411-S415 WeakPolarHBondContact O-CB 3.41Å; S411-S415 PolarHBondContact O-N 3.47Å; S415-N417 PolarHBondContact O-N 3.34Å; S415-Y426 VanDerWaalsContact CB-O 3.22Å; S415-Y426 WeakPolarHBondContact CB-O 3.31Å; S415-Y426 PolarHBondContact OG-O 3Å; S415-S427 VanDerWaalsContact OG-CA 3.31Å; S415-S427 WeakPolarHBondContact OG-CA 3.48Å; S415-S427 PolarHBondContact OG-O 3.32Å
416	S	71.2	Confident	83.7	Confident	58 Å²	58	63.1 Å²	63.1	41%	0.406	33%	0.331	S	S	.	.			trans	-80.7	120.6	-172.9	-64.9	0	0	0	0	111.7	N418 S419 S422	S416-N418 PolarHBondContact O-N 3.41Å; S416-S419 WeakPolarHBondContact O-CB 3.45Å; S416-S419 PolarHBondContact O-N 3.31Å; S416-S422 WeakPolarHBondContact O-CB 3.15Å
417	N	65.9	Low	83.3	Confident	146 Å²	146	65.1 Å²	65.1	78%	0.781	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-14.9	177.1	-67	-13.1	0	0	0	114.9	S415	S415-N417 PolarHBondContact O-N 3.34Å
418	N	59.3	Low	83	Confident	167 Å²	167	69.5 Å²	69.5	89%	0.893	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.7	4.3	-179.5	-64.4	-25.6	0	0	0	113.7	S416	S416-N418 PolarHBondContact O-N 3.41Å
419	S	64.9	Low	83	Confident	32 Å²	32	68 Å²	68	22%	0.224	36%	0.364	C	S	.	.	S	Bend	trans	-87.5	134.3	176.1	174.1	0	0	0	0	110	L413 S416 Q421 S422	L413-S419 VanDerWaalsContact O-CB 3.28Å; L413-S419 WeakPolarHBondContact O-CB 3.36Å; L413-S419 PolarHBondContact O-OG 3.28Å; S416-S419 WeakPolarHBondContact O-CB 3.45Å; S416-S419 PolarHBondContact O-N 3.31Å; S419-Q421 PolarHBondContact O-N 2.98Å; S419-Q421 VanDerWaalsContact O-N 3.1Å; S419-Q421 PolarHBondContact OG-N 3.02Å; S419-S422 WeakPolarHBondContact O-CB 3.28Å; S419-S422 PolarHBondContact O-N 3.39Å; S419-S422 PolarHBondContact O-OG 3.38Å
420	I	71.2	Confident	83.1	Confident	182 Å²	182	66.2 Å²	66.2	93%	0.933	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-25	168	-81.4	163.4	0	0	0	111.6
421	Q	73.5	Confident	83.4	Confident	83 Å²	83	66.3 Å²	66.3	39%	0.388	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	19.7	179	-61	178.1	-3.9	0	0	112.1	Y414 S419 D423	Y414-Q421 HydrophobicContact CD1-CB 4.23Å; Y414-Q421 WeakPolarHBondContact CD1-O 3.32Å; Y414-Q421 HydrophobicContact CE1-CB 4.04Å; S419-Q421 PolarHBondContact O-N 2.98Å; S419-Q421 VanDerWaalsContact O-N 3.1Å; S419-Q421 PolarHBondContact OG-N 3.02Å; Q421-D423 PolarHBondContact O-N 3.28Å
422	S	77.3	Confident	83.6	Confident	64 Å²	64	66.1 Å²	66.1	45%	0.448	36%	0.356	S	S	.	.			trans	-57.1	134.4	-179.8	64.1	0	0	0	0	111.2	Y414 S416 S419	Y414-S422 CarbonylContact O-C 3.47Å; Y414-S422 WeakPolarHBondContact O-CA 3.31Å; S416-S422 WeakPolarHBondContact O-CB 3.15Å; S419-S422 WeakPolarHBondContact O-CB 3.28Å; S419-S422 PolarHBondContact O-N 3.39Å; S419-S422 PolarHBondContact O-OG 3.38Å
423	D	84.4	Confident	84	Confident	14 Å²	14	58.2 Å²	58.2	8%	0.075	32%	0.322	C	S	.	.			trans	-132.7	116.8	178.2	-170.7	-25.9	0	0	0	108.5	S347 S349 Y414 Q421 L425 Y426	S347-D423 WeakPolarHBondContact CB-OD2 3.46Å; S347-D423 PolarHBondContact OG-OD2 3.29Å; S349-D423 WeakPolarHBondContact CB-OD2 3.43Å; S349-D423 PolarHBondContact OG-OD2 3.29Å; Y414-D423 HydrophobicContact CD1-CB 4.32Å; Y414-D423 PolarHBondContact O-N 3.43Å; Q421-D423 PolarHBondContact O-N 3.28Å; D423-L425 PolarHBondContact O-N 2.87Å; D423-L425 VanDerWaalsContact OD1-CB 3.27Å; D423-L425 WeakPolarHBondContact OD1-CB 3.2Å; D423-L425 WeakPolarHBondContact OD1-CG 3.29Å; D423-L425 PolarHBondContact OD1-N 3.4Å; D423-Y426 HydrophobicContact CB-CD2 4.25Å; D423-Y426 PolarHBondContact O-N 2.97Å
424	I	85.1	Confident	84.4	Confident	132 Å²	132	56.1 Å²	56.1	68%	0.677	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-57	-27.8	-176.9	-170.3	59.2	0	0	0	112.4	Y426 S427	I424-Y426 PolarHBondContact O-N 3.39Å; I424-S427 VanDerWaalsContact O-CB 3.25Å; I424-S427 WeakPolarHBondContact O-CB 3.49Å; I424-S427 PolarHBondContact O-N 3.01Å; I424-S427 VanDerWaalsContact O-N 3.15Å; I424-S427 PolarHBondContact O-OG 3.16Å
425	L	87.5	Confident	84.6	Confident	37 Å²	37	55.8 Å²	55.8	19%	0.194	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-63.3	-27.8	178.5	-61.3	-179.8	0	0	0	112.1	F343 W345 F352 D423	F343-L425 HydrophobicContact CD2-CD2 4.22Å; F343-L425 HydrophobicContact CG-CD2 4.45Å; W345-L425 HydrophobicContact CE3-CD1 3.73Å; W345-L425 HydrophobicContact CH2-CD1 4.18Å; W345-L425 HydrophobicContact CZ3-CD1 3.3Å; F352-L425 HydrophobicContact CE2-CB 3.73Å; F352-L425 HydrophobicContact CZ-CB 4.04Å; F352-L425 VanDerWaalsContact CZ-O 3.32Å; F352-L425 WeakPolarHBondContact CZ-O 3.48Å; D423-L425 PolarHBondContact O-N 2.87Å; D423-L425 VanDerWaalsContact OD1-CB 3.27Å; D423-L425 WeakPolarHBondContact OD1-CB 3.2Å; D423-L425 WeakPolarHBondContact OD1-CG 3.29Å; D423-L425 PolarHBondContact OD1-N 3.4Å
426	Y	91	Very high	85.1	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-93.4	3.8	179	-80.1	-90.1	0	0	0	114.3	W345 S349 P350 F352 L410 Y414 S415 D423 I424 N428 F429	W345-Y426 HydrophobicContact CH2-CE2 4.21Å; S349-Y426 WeakPolarHBondContact OG-CE2 3.47Å; P350-Y426 PolarHBondContact O-OH 2.82Å; F352-Y426 HydrophobicContact CE1-CD1 4.35Å; F352-Y426 HydrophobicContact CE1-CD2 4.31Å; F352-Y426 AromaticContact CE1-CE1 3.78Å; F352-Y426 HydrophobicContact CE1-CE1 3.78Å; F352-Y426 AromaticContact CE1-CE2 3.77Å; F352-Y426 HydrophobicContact CE1-CE2 3.77Å; F352-Y426 AromaticContact CE1-CZ 3.48Å; F352-Y426 VanDerWaalsContact CE1-CZ 3.48Å; F352-Y426 HydrophobicContact CZ-CD2 4.25Å; F352-Y426 HydrophobicContact CZ-CE1 4.42Å; F352-Y426 HydrophobicContact CZ-CE2 4.13Å; F352-Y426 HydrophobicContact CZ-CG 4.48Å; L410-Y426 HydrophobicContact CB-CD1 4.17Å; L410-Y426 HydrophobicContact CB-CE1 3.85Å; L410-Y426 HydrophobicContact CD1-CE1 3.85Å; L410-Y426 HydrophobicContact CG-CE1 4.4Å; Y414-Y426 HydrophobicContact CG-CD2 4.29Å; Y414-Y426 HydrophobicContact CG-CG 4.44Å; S415-Y426 VanDerWaalsContact CB-O 3.22Å; S415-Y426 WeakPolarHBondContact CB-O 3.31Å; S415-Y426 PolarHBondContact OG-O 3Å; D423-Y426 HydrophobicContact CB-CD2 4.25Å; D423-Y426 PolarHBondContact O-N 2.97Å; I424-Y426 PolarHBondContact O-N 3.39Å; Y426-N428 PolarHBondContact O-N 2.94Å; Y426-F429 HydrophobicContact CD1-CB 3.54Å; Y426-F429 AromaticContact CD1-CD1 3.76Å; Y426-F429 HydrophobicContact CD1-CD1 3.76Å; Y426-F429 AromaticContact CD1-CD2 3.94Å; Y426-F429 HydrophobicContact CD1-CD2 3.94Å; Y426-F429 HydrophobicContact CD1-CE1 4.42Å; Y426-F429 AromaticContact CD1-CG 3.48Å; Y426-F429 HydrophobicContact CD1-CG 3.48Å; Y426-F429 VanDerWaalsContact CD1-CG 3.48Å; Y426-F429 HydrophobicContact CE1-CB 4.31Å; Y426-F429 AromaticContact CE1-CD1 3.85Å; Y426-F429 HydrophobicContact CE1-CD1 3.85Å; Y426-F429 AromaticContact CE1-CD2 3.86Å; Y426-F429 HydrophobicContact CE1-CD2 3.86Å; Y426-F429 HydrophobicContact CE1-CE1 4.05Å; Y426-F429 HydrophobicContact CE1-CE2 4.07Å; Y426-F429 AromaticContact CE1-CG 3.75Å; Y426-F429 HydrophobicContact CE1-CG 3.75Å; Y426-F429 HydrophobicContact CE1-CZ 4.17Å; Y426-F429 HydrophobicContact CG-CB 4.3Å; Y426-F429 WeakPolarHBondContact O-CB 3.42Å; Y426-F429 PolarHBondContact O-N 3.17Å; Y426-F429 VanDerWaalsContact O-N 3.09Å
427	S	89.9	Confident	86.3	Confident	53 Å²	53	52.6 Å²	52.6	37%	0.371	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-31.1	-179.4	55.2	0	0	0	0	114.3	S415 I424	S415-S427 VanDerWaalsContact OG-CA 3.31Å; S415-S427 WeakPolarHBondContact OG-CA 3.48Å; S415-S427 PolarHBondContact OG-O 3.32Å; I424-S427 VanDerWaalsContact O-CB 3.25Å; I424-S427 WeakPolarHBondContact O-CB 3.49Å; I424-S427 PolarHBondContact O-N 3.01Å; I424-S427 VanDerWaalsContact O-N 3.15Å; I424-S427 PolarHBondContact O-OG 3.16Å
428	N	92.8	Very high	87.5	Confident	92 Å²	92	45.8 Å²	45.8	49%	0.492	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.5	14	-179.2	-68.2	-67	0	0	0	113.6	R377 Y426 N430	R377-N428 WeakPolarHBondContact CA-O 3.22Å; R377-N428 HydrophobicContact CG-CB 3.99Å; Y426-N428 PolarHBondContact O-N 2.94Å; N428-N430 PolarHBondContact O-N 3.02Å; N428-N430 VanDerWaalsContact O-N 3.12Å; N428-N430 PolarHBondContact O-ND2 3.4Å
429	F	95.6	Very high	88.9	Confident	1 Å²	1	39.7 Å²	39.7	0%	0.004	22%	0.218	C	C	.	.			trans	-80.7	92.8	-176.9	-164.8	-93.3	0	0	0	111.1	F352 L374 L375 C378 L379 V407 L410 S411 Y426	F352-F429 HydrophobicContact CE1-CD2 4.11Å; F352-F429 HydrophobicContact CE1-CE2 4.22Å; F352-F429 HydrophobicContact CZ-CD2 4.48Å; L374-F429 HydrophobicContact CD2-CZ 4.04Å; L375-F429 WeakPolarHBondContact O-CD2 3.22Å; L375-F429 WeakPolarHBondContact O-CE2 3.28Å; C378-F429 VanDerWaalsContact O-CE2 3.25Å; C378-F429 WeakPolarHBondContact O-CE2 3.44Å; L379-F429 HydrophobicContact CB-CZ 4.06Å; V407-F429 HydrophobicContact CB-CE1 4.17Å; V407-F429 HydrophobicContact CG1-CD1 3.99Å; V407-F429 HydrophobicContact CG1-CE1 3.89Å; V407-F429 HydrophobicContact CG2-CE1 4.02Å; V407-F429 HydrophobicContact CG2-CZ 4.46Å; L410-F429 HydrophobicContact CB-CD1 4.26Å; L410-F429 HydrophobicContact CB-CE1 4.12Å; L410-F429 HydrophobicContact CD1-CE1 3.96Å; L410-F429 HydrophobicContact CD1-CZ 4.24Å; S411-F429 VanDerWaalsContact CB-O 3.24Å; S411-F429 WeakPolarHBondContact CB-O 3.45Å; S411-F429 PolarHBondContact OG-O 2.94Å; S411-F429 VanDerWaalsContact OG-O 3.08Å; Y426-F429 HydrophobicContact CD1-CB 3.54Å; Y426-F429 AromaticContact CD1-CD1 3.76Å; Y426-F429 HydrophobicContact CD1-CD1 3.76Å; Y426-F429 AromaticContact CD1-CD2 3.94Å; Y426-F429 HydrophobicContact CD1-CD2 3.94Å; Y426-F429 HydrophobicContact CD1-CE1 4.42Å; Y426-F429 AromaticContact CD1-CG 3.48Å; Y426-F429 HydrophobicContact CD1-CG 3.48Å; Y426-F429 VanDerWaalsContact CD1-CG 3.48Å; Y426-F429 HydrophobicContact CE1-CB 4.31Å; Y426-F429 AromaticContact CE1-CD1 3.85Å; Y426-F429 HydrophobicContact CE1-CD1 3.85Å; Y426-F429 AromaticContact CE1-CD2 3.86Å; Y426-F429 HydrophobicContact CE1-CD2 3.86Å; Y426-F429 HydrophobicContact CE1-CE1 4.05Å; Y426-F429 HydrophobicContact CE1-CE2 4.07Å; Y426-F429 AromaticContact CE1-CG 3.75Å; Y426-F429 HydrophobicContact CE1-CG 3.75Å; Y426-F429 HydrophobicContact CE1-CZ 4.17Å; Y426-F429 HydrophobicContact CG-CB 4.3Å; Y426-F429 WeakPolarHBondContact O-CB 3.42Å; Y426-F429 PolarHBondContact O-N 3.17Å; Y426-F429 VanDerWaalsContact O-N 3.09Å
430	N	96.7	Very high	89.8	Confident	52 Å²	52	42.5 Å²	42.5	28%	0.278	23%	0.23	S	C	.	.			trans	-139.5	-8.8	-171.4	58.3	36.8	0	0	0	114.8	A81 L82 R377 N428	A81-N430 WeakPolarHBondContact CB-O 3.47Å; A81-N430 PolarHBondContact N-O 3.32Å; L82-N430 HydrophobicContact CD1-CB 3.61Å; L82-N430 HydrophobicContact CG-CB 3.83Å; R377-N430 PolarHBondContact O-N 2.92Å; N428-N430 PolarHBondContact O-N 3.02Å; N428-N430 VanDerWaalsContact O-N 3.12Å; N428-N430 PolarHBondContact O-ND2 3.4Å
431	S	98.3	Very high	90.5	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.014	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	148.8	-169.9	-66.3	0	0	0	0	112.6	C79 R377 C378 L379	C79-S431 WeakPolarHBondContact O-CA 3.28Å; R377-S431 PolarHBondContact O-N 2.91Å; C378-S431 WeakPolarHBondContact CA-O 3.43Å; C378-S431 WeakPolarHBondContact CB-O 3.43Å; L379-S431 PolarHBondContact N-O 3.12Å; L379-S431 VanDerWaalsContact N-O 3.08Å
432	Y	98.7	Very high	91	Very high	6 Å²	6	35.9 Å²	35.9	2%	0.024	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	114.7	172.5	172.6	-117.6	0	0	0	109.9	R78 C79 L379 S381 A400 E403 I404 M434	R78-Y432 CarbonylContact C-O 3.47Å; R78-Y432 WeakPolarHBondContact CA-O 3.4Å; C79-Y432 HydrophobicContact CB-CD1 4.29Å; C79-Y432 PolarHBondContact N-O 3.01Å; C79-Y432 PolarHBondContact O-N 3.03Å; L379-Y432 HydrophobicContact CD2-CD2 3.82Å; L379-Y432 HydrophobicContact CD2-CE2 3.77Å; S381-Y432 WeakPolarHBondContact CB-OH 3.32Å; S381-Y432 PolarHBondContact OG-OH 3Å; A400-Y432 HydrophobicContact CB-CE1 4.31Å; A400-Y432 WeakPolarHBondContact CB-OH 3.35Å; E403-Y432 HydrophobicContact CB-CD2 4.19Å; E403-Y432 HydrophobicContact CB-CE2 3.63Å; E403-Y432 HydrophobicContact CG-CE2 4.47Å; E403-Y432 WeakPolarHBondContact OE2-CE2 3.33Å; E403-Y432 PolarHBondContact OE2-OH 2.95Å; E403-Y432 VanDerWaalsContact OE2-OH 3.09Å; I404-Y432 HydrophobicContact CD1-CD1 3.79Å; I404-Y432 HydrophobicContact CD1-CE1 4.1Å; I404-Y432 HydrophobicContact CG1-CD1 3.44Å; I404-Y432 VanDerWaalsContact CG1-CD1 3.44Å; I404-Y432 HydrophobicContact CG1-CD2 4.39Å; I404-Y432 HydrophobicContact CG1-CE1 3.96Å; I404-Y432 HydrophobicContact CG1-CG 3.68Å; Y432-M434 HydrophobicContact CD1-CG 3.72Å; Y432-M434 HydrophobicContact CD1-SD 4.1Å; Y432-M434 HydrophobicContact CE1-CG 3.19Å; Y432-M434 HydrophobicContact CE1-SD 3.64Å
433	Y	98.6	Very high	91.3	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	132.2	-176.2	-79.8	-131.9	0	0	0	109.8	I51 D52 T76 R78 R377 C378 L379 S381 W463	I51-Y433 HydrophobicContact CD1-CD1 3.85Å; I51-Y433 HydrophobicContact CD1-CE1 3.87Å; I51-Y433 HydrophobicContact CG1-CD1 4.47Å; I51-Y433 HydrophobicContact CG1-CE1 4.16Å; D52-Y433 PolarHBondContact OD1-OH 2.69Å; T76-Y433 HydrophobicContact CG2-CE1 4.47Å; R78-Y433 HydrophobicContact CB-CD1 4.44Å; R78-Y433 HydrophobicContact CB-CD2 3.59Å; R78-Y433 HydrophobicContact CB-CE2 3.65Å; R78-Y433 HydrophobicContact CB-CG 4.01Å; R78-Y433 HydrophobicContact CG-CE2 4.26Å; R377-Y433 PolarHBondContact NH2-OH 2.83Å; R377-Y433 VanDerWaalsContact NH2-OH 3.08Å; C378-Y433 HydrophobicContact CB-CD2 3.36Å; C378-Y433 HydrophobicContact CB-CE2 3.46Å; C378-Y433 VanDerWaalsContact CB-CE2 3.46Å; C378-Y433 HydrophobicContact CB-CG 4.28Å; C378-Y433 VanDerWaalsContact SG-CD2 3.59Å; L379-Y433 PolarHBondContact O-N 3.09Å; S381-Y433 WeakPolarHBondContact CB-O 3.48Å; S381-Y433 PolarHBondContact N-O 2.98Å; Y433-W463 HydrophobicContact CD1-CH2 4.45Å; Y433-W463 AromaticContact CE1-CH2 3.63Å; Y433-W463 HydrophobicContact CE1-CH2 3.63Å; Y433-W463 AromaticContact CE1-CZ2 3.82Å; Y433-W463 HydrophobicContact CE1-CZ2 3.82Å; Y433-W463 AromaticContact CZ-CH2 3.76Å; Y433-W463 AromaticContact CZ-CZ2 3.67Å; Y433-W463 WeakPolarHBondContact OH-CZ2 3.26Å
434	M	95.9	Very high	91.3	Very high	8 Å²	8	40 Å²	40	4%	0.039	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	24.8	-175.1	-63	173.1	-73.8	0	0	112.4	I77 C79 Y432 K447 Y450	I77-M434 HydrophobicContact CD1-CE 4.13Å; I77-M434 HydrophobicContact CG1-CE 4.05Å; I77-M434 HydrophobicContact CG2-CB 4.2Å; I77-M434 PolarHBondContact O-N 3.16Å; C79-M434 HydrophobicContact CB-CE 4.3Å; Y432-M434 HydrophobicContact CD1-CG 3.72Å; Y432-M434 HydrophobicContact CD1-SD 4.1Å; Y432-M434 HydrophobicContact CE1-CG 3.19Å; Y432-M434 HydrophobicContact CE1-SD 3.64Å; M434-K447 HydrophobicContact CB-CD 4.06Å; M434-K447 HydrophobicContact CB-CG 4.33Å; M434-K447 HydrophobicContact CE-CB 4.23Å; M434-K447 VanDerWaalsContact CE-O 3.26Å; M434-K447 WeakPolarHBondContact CE-O 3.2Å; M434-K447 WeakPolarHBondContact O-CD 3.37Å; M434-K447 VanDerWaalsContact O-CE 3.27Å; M434-K447 WeakPolarHBondContact O-CE 2.96Å; M434-K447 PolarHBondContact O-NZ 3.06Å; M434-K447 HydrophobicContact SD-CB 4.25Å; M434-K447 HydrophobicContact SD-CG 4.49Å; M434-Y450 HydrophobicContact CE-CD2 4.02Å; M434-Y450 HydrophobicContact CE-CG 4.38Å; M434-Y450 HydrophobicContact SD-CD2 3.28Å; M434-Y450 WeakPolarHBondContact SD-CD2 3.19Å; M434-Y450 HydrophobicContact SD-CE2 3.75Å; M434-Y450 HydrophobicContact SD-CG 3.84Å
435	G	95	Very high	91.4	Very high	13 Å²	13	35.7 Å²	35.7	13%	0.134	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	80.6	-131	-175.8	0	0	0	0	0	112.7	R56 I77	R56-G435 PolarHBondContact NH2-O 3.27Å; I77-G435 PolarHBondContact N-O 3.46Å
436	Y	95.1	Very high	91.6	Very high	10 Å²	10	39.2 Å²	39.2	4%	0.039	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	154.1	177	-57.9	-64.8	0	0	0	112.4	G54 R56 Y63 P65 Y75 M444 K447	G54-Y436 PolarHBondContact O-OH 3.45Å; R56-Y436 HydrophobicContact CB-CE2 4.07Å; R56-Y436 WeakPolarHBondContact CB-OH 3.16Å; R56-Y436 HydrophobicContact CG-CD2 4.32Å; R56-Y436 HydrophobicContact CG-CE1 3.93Å; R56-Y436 HydrophobicContact CG-CE2 3.49Å; R56-Y436 VanDerWaalsContact CG-CE2 3.49Å; R56-Y436 WeakPolarHBondContact CG-OH 3.46Å; Y63-Y436 AromaticContact CE2-CE2 3.84Å; Y63-Y436 HydrophobicContact CE2-CE2 3.84Å; P65-Y436 WeakPolarHBondContact CD-OH 3.12Å; P65-Y436 HydrophobicContact CG-CE1 4.34Å; P65-Y436 HydrophobicContact CG-CE2 4.17Å; Y75-Y436 CarbonylContact O-C 3.51Å; Y75-Y436 VanDerWaalsContact O-CA 3.3Å; Y75-Y436 WeakPolarHBondContact O-CA 3.22Å; Y436-M444 WeakPolarHBondContact O-CE 3.43Å; Y436-K447 VanDerWaalsContact O-CD 3.24Å; Y436-K447 WeakPolarHBondContact O-CD 3.35Å; Y436-K447 PolarHBondContact O-NZ 3.27Å
437	Y	94.8	Very high	91.7	Very high	10 Å²	10	40.1 Å²	40.1	4%	0.039	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	133.6	161.3	175.5	-96.9	0	0	0	108.5	Y75 I77 H439 L455 L470 L473	Y75-Y437 PolarHBondContact N-O 3.49Å; Y75-Y437 PolarHBondContact O-N 3.24Å; I77-Y437 HydrophobicContact CD1-CD2 4.39Å; I77-Y437 HydrophobicContact CD1-CG 4.49Å; Y437-H439 HydrophobicContact CE1-CB 3.98Å; Y437-H439 AromaticContact CE1-ND1 3.96Å; Y437-H439 AromaticContact CZ-ND1 3.99Å; Y437-H439 PolarHBondContact OH-ND1 3.07Å; Y437-H439 VanDerWaalsContact OH-ND1 3.1Å; Y437-L455 HydrophobicContact CD1-CD1 3.81Å; Y437-L455 HydrophobicContact CD1-CD2 4.2Å; Y437-L455 HydrophobicContact CE1-CD1 4.34Å; Y437-L455 HydrophobicContact CG-CD2 4.13Å; Y437-L470 HydrophobicContact CE1-CD2 3.99Å; Y437-L470 WeakPolarHBondContact OH-CD2 3.44Å; Y437-L473 HydrophobicContact CE1-CD1 4.1Å
438	I	91.5	Very high	91.8	Very high	3 Å²	3	38.5 Å²	38.5	2%	0.015	19%	0.187	C	C	.	.			trans	-127.1	114.7	178.4	-59.9	175.1	0	0	0	106.6	Y23 C72 N440 C441 M444	Y23-I438 HydrophobicContact CD1-CD1 3.76Å; Y23-I438 HydrophobicContact CD2-CD1 3.35Å; Y23-I438 HydrophobicContact CE1-CD1 3.63Å; Y23-I438 HydrophobicContact CE2-CD1 3.2Å; Y23-I438 HydrophobicContact CG-CD1 3.62Å; C72-I438 HydrophobicContact CB-CG2 4.03Å; I438-N440 PolarHBondContact O-N 3.49Å; I438-C441 HydrophobicContact CB-CB 3.83Å; I438-C441 HydrophobicContact CG2-CB 3.63Å; I438-C441 PolarHBondContact O-N 3.47Å; I438-M444 HydrophobicContact CB-CB 4.3Å; I438-M444 HydrophobicContact CB-CG 4.33Å; I438-M444 HydrophobicContact CD1-CG 4.47Å
439	H	89.3	Confident	91.8	Very high	39 Å²	39	37.9 Å²	37.9	18%	0.181	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-49.6	-166.8	-172.1	57.5	0	0	0	113	Y437 C441 L473 N474	Y437-H439 HydrophobicContact CE1-CB 3.98Å; Y437-H439 AromaticContact CE1-ND1 3.96Å; Y437-H439 AromaticContact CZ-ND1 3.99Å; Y437-H439 PolarHBondContact OH-ND1 3.07Å; Y437-H439 VanDerWaalsContact OH-ND1 3.1Å; H439-C441 PolarHBondContact O-N 3.35Å; H439-L473 HydrophobicContact CB-CD1 4.12Å; H439-N474 PolarHBondContact CE1-OD1 3.24Å; H439-N474 PolarHBondContact NE2-OD1 3.3Å; H439-N474 VanDerWaalsContact NE2-OD1 3.09Å
440	N	84	Confident	91.8	Very high	92 Å²	92	38 Å²	38	49%	0.492	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	5.9	-177.3	-61.2	-21.4	0	0	0	113.1	I438	I438-N440 PolarHBondContact O-N 3.49Å
441	C	86.1	Confident	91.7	Very high	8 Å²	8	37.2 Å²	37.2	5%	0.054	18%	0.178	C	C	.	.			trans	-104.8	104.6	178.5	-173.2	0	0	0	0	110.7	Y23 I438 H439 K443 M444 S445	Y23-C441 HydrophobicContact CD1-CB 4.42Å; I438-C441 HydrophobicContact CB-CB 3.83Å; I438-C441 HydrophobicContact CG2-CB 3.63Å; I438-C441 PolarHBondContact O-N 3.47Å; H439-C441 PolarHBondContact O-N 3.35Å; C441-K443 PolarHBondContact O-N 3.15Å; C441-M444 HydrophobicContact CB-CB 4.13Å; C441-M444 HydrophobicContact CB-CG 3.94Å; C441-M444 PolarHBondContact O-N 2.94Å; C441-S445 PolarHBondContact O-N 2.84Å
442	R	83.5	Confident	91.7	Very high	117 Å²	117	38.9 Å²	38.9	44%	0.442	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-53.4	-40.3	179.5	-172.7	-179	178.7	-174.3	2.7	112.9	N119 N120 M444 S445	N119-R442 PolarHBondContact O-NH1 2.93Å; N120-R442 PolarHBondContact OD1-NH1 3.37Å; N120-R442 PolarHBondContact OD1-NH2 3.26Å; R442-M444 PolarHBondContact O-N 2.99Å; R442-M444 VanDerWaalsContact O-N 3.13Å; R442-S445 WeakPolarHBondContact O-CB 3.4Å; R442-S445 PolarHBondContact O-N 3.4Å; R442-S445 VanDerWaalsContact O-N 3.15Å; R442-S445 PolarHBondContact O-OG 2.84Å
443	K	83.3	Confident	91.7	Very high	142 Å²	142	38.8 Å²	38.8	62%	0.617	19%	0.19	S	C	*	.	G	3₁₀ helix	trans	-60.5	-20.8	177.9	-68.7	-171.3	177.9	-173.1	0	113.4	C441 Y446	C441-K443 PolarHBondContact O-N 3.15Å; K443-Y446 WeakPolarHBondContact O-CD1 3.5Å; K443-Y446 VanDerWaalsContact O-CE1 3.32Å; K443-Y446 WeakPolarHBondContact O-CE1 3.48Å
444	M	84.6	Confident	91.6	Very high	22 Å²	22	41.6 Å²	41.6	11%	0.108	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-102.3	-8.8	-177.8	-58.9	-63.5	-74.1	0	0	112.9	Y23 Y436 I438 C441 R442 Y446 K447	Y23-M444 HydrophobicContact CD1-CG 4.45Å; Y23-M444 HydrophobicContact CE1-CG 4.27Å; Y23-M444 HydrophobicContact CE1-SD 4.33Å; Y436-M444 WeakPolarHBondContact O-CE 3.43Å; I438-M444 HydrophobicContact CB-CB 4.3Å; I438-M444 HydrophobicContact CB-CG 4.33Å; I438-M444 HydrophobicContact CD1-CG 4.47Å; C441-M444 HydrophobicContact CB-CB 4.13Å; C441-M444 HydrophobicContact CB-CG 3.94Å; C441-M444 PolarHBondContact O-N 2.94Å; R442-M444 PolarHBondContact O-N 2.99Å; R442-M444 VanDerWaalsContact O-N 3.13Å; M444-Y446 VanDerWaalsContact C-N 3.27Å; M444-Y446 PolarHBondContact O-N 3.07Å; M444-K447 HydrophobicContact CE-CD 4.25Å; M444-K447 PolarHBondContact O-N 2.83Å
445	S	87.4	Confident	91.7	Very high	42 Å²	42	41.2 Å²	41.2	29%	0.294	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-63.5	-29	-177.9	67.3	0	0	0	0	113.5	C441 R442 K447 S448 H449	C441-S445 PolarHBondContact O-N 2.84Å; R442-S445 WeakPolarHBondContact O-CB 3.4Å; R442-S445 PolarHBondContact O-N 3.4Å; R442-S445 VanDerWaalsContact O-N 3.15Å; R442-S445 PolarHBondContact O-OG 2.84Å; S445-K447 PolarHBondContact O-N 2.82Å; S445-K447 VanDerWaalsContact O-N 3.14Å; S445-S448 PolarHBondContact O-N 3.4Å; S445-S448 PolarHBondContact O-OG 2.86Å; S445-H449 PolarHBondContact O-ND1 3.26Å
446	Y	91.4	Very high	91.9	Very high	112 Å²	112	40.8 Å²	40.8	44%	0.439	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-60.5	-28.9	-177.2	78.4	-90.6	0	0	0	112.5	K443 M444 S448 H449 Y450	K443-Y446 WeakPolarHBondContact O-CD1 3.5Å; K443-Y446 VanDerWaalsContact O-CE1 3.32Å; K443-Y446 WeakPolarHBondContact O-CE1 3.48Å; M444-Y446 VanDerWaalsContact C-N 3.27Å; M444-Y446 PolarHBondContact O-N 3.07Å; Y446-S448 PolarHBondContact O-N 3.02Å; Y446-H449 WeakPolarHBondContact CA-ND1 3.36Å; Y446-H449 VanDerWaalsContact O-CB 3.23Å; Y446-H449 WeakPolarHBondContact O-CB 3.17Å; Y446-H449 PolarHBondContact O-N 3.13Å; Y446-H449 PolarHBondContact O-ND1 3.09Å; Y446-Y450 AromaticContact CD2-CE2 3.82Å; Y446-Y450 HydrophobicContact CD2-CE2 3.82Å; Y446-Y450 HydrophobicContact CE2-CE2 4.05Å
447	K	93.7	Very high	92	Very high	18 Å²	18	40.3 Å²	40.3	8%	0.078	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-63.6	-25.6	-177.1	-60.4	-179.2	-177.7	-174	0	113.2	I77 M434 Y436 M444 S445 H449	I77-K447 HydrophobicContact CD1-CB 3.93Å; I77-K447 HydrophobicContact CG2-CB 4.44Å; I77-K447 HydrophobicContact CG2-CD 4.21Å; M434-K447 HydrophobicContact CB-CD 4.06Å; M434-K447 HydrophobicContact CB-CG 4.33Å; M434-K447 HydrophobicContact CE-CB 4.23Å; M434-K447 VanDerWaalsContact CE-O 3.26Å; M434-K447 WeakPolarHBondContact CE-O 3.2Å; M434-K447 WeakPolarHBondContact O-CD 3.37Å; M434-K447 VanDerWaalsContact O-CE 3.27Å; M434-K447 WeakPolarHBondContact O-CE 2.96Å; M434-K447 PolarHBondContact O-NZ 3.06Å; M434-K447 HydrophobicContact SD-CB 4.25Å; M434-K447 HydrophobicContact SD-CG 4.49Å; Y436-K447 VanDerWaalsContact O-CD 3.24Å; Y436-K447 WeakPolarHBondContact O-CD 3.35Å; Y436-K447 PolarHBondContact O-NZ 3.27Å; M444-K447 HydrophobicContact CE-CD 4.25Å; M444-K447 PolarHBondContact O-N 2.83Å; S445-K447 PolarHBondContact O-N 2.82Å; S445-K447 VanDerWaalsContact O-N 3.14Å; K447-H449 PolarHBondContact O-N 2.93Å
448	S	91.4	Very high	92	Very high	20 Å²	20	40.7 Å²	40.7	14%	0.14	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-70.9	-10.1	174.7	68.7	0	0	0	0	113.5	S445 Y446 Y450	S445-S448 PolarHBondContact O-N 3.4Å; S445-S448 PolarHBondContact O-OG 2.86Å; Y446-S448 PolarHBondContact O-N 3.02Å; S448-Y450 VanDerWaalsContact C-N 3.35Å
449	H	93.2	Very high	92.1	Very high	79 Å²	79	44 Å²	44	37%	0.366	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-82	-14.8	-175.9	-63.5	77.1	0	0	0	113.5	K87 H90 S445 Y446 K447 T451	K87-H449 HydrophobicContact CD-CB 4.42Å; K87-H449 WeakPolarHBondContact CD-O 3.39Å; K87-H449 WeakPolarHBondContact CE-O 3.21Å; K87-H449 PolarHBondContact NZ-O 2.93Å; H90-H449 PolarHBondContact CE1-O 3.1Å; S445-H449 PolarHBondContact O-ND1 3.26Å; Y446-H449 WeakPolarHBondContact CA-ND1 3.36Å; Y446-H449 VanDerWaalsContact O-CB 3.23Å; Y446-H449 WeakPolarHBondContact O-CB 3.17Å; Y446-H449 PolarHBondContact O-N 3.13Å; Y446-H449 PolarHBondContact O-ND1 3.09Å; K447-H449 PolarHBondContact O-N 2.93Å; H449-T451 PolarHBondContact O-N 3.05Å
450	Y	96	Very high	92.4	Very high	4 Å²	4	42.3 Å²	42.3	2%	0.016	21%	0.205	C	C	.	.	S	Bend	trans	-85.4	99.2	175.7	-56.4	-89.8	0	0	0	109.7	C79 F84 A400 L401 I404 M434 Y446 S448 A453	C79-Y450 PolarHBondContact SG-O 2.86Å; F84-Y450 AromaticContact CE2-CD1 3.83Å; F84-Y450 HydrophobicContact CE2-CD1 3.83Å; F84-Y450 HydrophobicContact CE2-CG 4.44Å; F84-Y450 HydrophobicContact CZ-CD1 4.26Å; A400-Y450 HydrophobicContact CB-CE1 3.97Å; A400-Y450 WeakPolarHBondContact CB-OH 3.48Å; L401-Y450 HydrophobicContact CD2-CE1 4.41Å; I404-Y450 HydrophobicContact CD1-CD1 3.61Å; I404-Y450 HydrophobicContact CD1-CE1 4.26Å; I404-Y450 HydrophobicContact CD1-CG 4.4Å; M434-Y450 HydrophobicContact CE-CD2 4.02Å; M434-Y450 HydrophobicContact CE-CG 4.38Å; M434-Y450 HydrophobicContact SD-CD2 3.28Å; M434-Y450 WeakPolarHBondContact SD-CD2 3.19Å; M434-Y450 HydrophobicContact SD-CE2 3.75Å; M434-Y450 HydrophobicContact SD-CG 3.84Å; Y446-Y450 AromaticContact CD2-CE2 3.82Å; Y446-Y450 HydrophobicContact CD2-CE2 3.82Å; Y446-Y450 HydrophobicContact CE2-CE2 4.05Å; S448-Y450 VanDerWaalsContact C-N 3.35Å; Y450-A453 WeakPolarHBondContact O-CB 3.44Å
451	T	94.9	Very high	93	Very high	34 Å²	34	39.5 Å²	39.5	21%	0.209	19%	0.188	C	C	.	.	S	Bend	trans	-115.2	145.1	-169	52.3	0	0	0	0	112.9	F84 H85 H449	F84-T451 WeakPolarHBondContact CA-O 3.27Å; H85-T451 PolarHBondContact N-O 2.93Å; H449-T451 PolarHBondContact O-N 3.05Å
452	P	97.5	Very high	93.6	Very high	38 Å²	38	42 Å²	42	25%	0.247	20%	0.198	C	C	.	.	S	Bend	cis	-76.9	132.2	3.6	28.6	-29.1	0	0	0	112.1	C79 D80 Q83 Y454	C79-P452 WeakPolarHBondContact CA-O 2.99Å; D80-P452 HydrophobicContact CB-CG 4.02Å; D80-P452 PolarHBondContact N-O 2.99Å; Q83-P452 HydrophobicContact CB-CG 3.82Å; Q83-P452 WeakPolarHBondContact O-CD 3.44Å; P452-Y454 HydrophobicContact CB-CE2 4.18Å
453	A	97.6	Very high	94.3	Very high	4 Å²	4	38.7 Å²	38.7	3%	0.033	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	153.6	-179.6	0	0	0	0	0	110.5	R78 Y450 I466	R78-A453 CarbonylContact O-C 3.41Å; R78-A453 VanDerWaalsContact O-CA 3.28Å; R78-A453 WeakPolarHBondContact O-CA 3.47Å; Y450-A453 WeakPolarHBondContact O-CB 3.44Å; A453-I466 HydrophobicContact CB-CB 4.09Å; A453-I466 HydrophobicContact CB-CD1 4.08Å; A453-I466 HydrophobicContact CB-CG2 3.79Å; A453-I466 WeakPolarHBondContact O-CB 3.32Å; A453-I466 WeakPolarHBondContact O-CG2 3.36Å; A453-I466 PolarHBondContact O-N 2.98Å
454	Y	98.5	Very high	95	Very high	59 Å²	59	33.3 Å²	33.3	23%	0.231	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	142.7	-177.4	-57.2	-96.8	0	0	0	110.1	I77 R78 D80 P452 W463 I464 P465	I77-Y454 WeakPolarHBondContact CA-O 3.19Å; R78-Y454 PolarHBondContact N-O 3.37Å; R78-Y454 VanDerWaalsContact N-O 3.09Å; R78-Y454 PolarHBondContact O-N 3.19Å; D80-Y454 HydrophobicContact CB-CE2 4.25Å; P452-Y454 HydrophobicContact CB-CE2 4.18Å; Y454-W463 HydrophobicContact CD1-CB 4.45Å; Y454-I464 CarbonylContact C-O 3.53Å; Y454-I464 WeakPolarHBondContact CA-O 2.88Å; Y454-P465 HydrophobicContact CD1-CG 4.37Å; Y454-P465 HydrophobicContact CE1-CB 4.49Å; Y454-P465 HydrophobicContact CE1-CG 4.12Å
455	L	98.1	Very high	95.6	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	137.6	165.2	-57.7	-173.6	0	0	0	109.5	T76 I77 Y437 C457 I464 I466 C469 L473 F485	T76-L455 CarbonylContact O-C 3.39Å; T76-L455 VanDerWaalsContact O-CA 3.31Å; T76-L455 WeakPolarHBondContact O-CA 3.47Å; I77-L455 HydrophobicContact CB-CD2 3.61Å; I77-L455 HydrophobicContact CD1-CD2 3.95Å; I77-L455 HydrophobicContact CG1-CD2 3.76Å; Y437-L455 HydrophobicContact CD1-CD1 3.81Å; Y437-L455 HydrophobicContact CD1-CD2 4.2Å; Y437-L455 HydrophobicContact CE1-CD1 4.34Å; Y437-L455 HydrophobicContact CG-CD2 4.13Å; L455-C457 PolarHBondContact O-N 2.82Å; L455-I464 PolarHBondContact N-O 2.89Å; L455-I464 PolarHBondContact O-N 3.19Å; L455-I466 HydrophobicContact CD2-CD1 4.12Å; L455-I466 HydrophobicContact CD2-CG1 4.5Å; L455-I466 HydrophobicContact CG-CD1 4.34Å; L455-I466 HydrophobicContact CG-CG1 4.18Å; L455-C469 HydrophobicContact CB-CB 4.38Å; L455-C469 HydrophobicContact CD1-CB 3.69Å; L455-C469 HydrophobicContact CG-CB 4.21Å; L455-L473 HydrophobicContact CD1-CD1 4.32Å; L455-F485 HydrophobicContact CB-CD2 4.24Å; L455-F485 HydrophobicContact CB-CE2 3.92Å; L455-F485 HydrophobicContact CD1-CE2 3.99Å; L455-F485 HydrophobicContact CD1-CZ 4.2Å
456	A	97.8	Very high	96	Very high	4 Å²	4	33.1 Å²	33.1	3%	0.033	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	127.3	167.2	0	0	0	0	0	108.7	T76 H462 W463	T76-A456 HydrophobicContact CG2-CB 4.05Å; T76-A456 PolarHBondContact O-N 2.67Å; A456-H462 WeakPolarHBondContact CA-O 3.4Å; A456-W463 HydrophobicContact CB-CD2 4.42Å; A456-W463 HydrophobicContact CB-CE3 4.02Å; A456-W463 HydrophobicContact CB-CH2 4.18Å; A456-W463 HydrophobicContact CB-CZ2 4.46Å; A456-W463 HydrophobicContact CB-CZ3 3.9Å
457	C	97	Very high	96.2	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.171	C	C	.	.	P	Polyproline II helix	trans	-58.2	128.1	170.3	179	0	0	0	0	108.9	L455 I459 T460 Y461 H462 F485 S486	L455-C457 PolarHBondContact O-N 2.82Å; C457-I459 PolarHBondContact O-N 2.99Å; C457-I459 VanDerWaalsContact O-N 3.13Å; C457-T460 WeakPolarHBondContact CB-OG1 3.15Å; C457-T460 PolarHBondContact SG-OG1 3.37Å; C457-T460 VanDerWaalsContact SG-OG1 3.4Å; C457-Y461 WeakPolarHBondContact O-CA 3.19Å; C457-Y461 PolarHBondContact O-N 3.39Å; C457-H462 PolarHBondContact N-O 3.21Å; C457-F485 HydrophobicContact CB-CB 4.24Å; C457-F485 PolarHBondContact SG-N 2.92Å; C457-F485 VanDerWaalsContact SG-N 3.44Å; C457-S486 PolarHBondContact SG-OG 3.27Å
458	P	94.6	Very high	96.3	Very high	17 Å²	17	36.6 Å²	36.6	11%	0.11	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-8.6	-172	36.3	-44.1	0	0	0	113.4	Y75 I482 I483	Y75-P458 HydrophobicContact CD1-CB 4.3Å; Y75-P458 HydrophobicContact CD1-CG 4.22Å; Y75-P458 HydrophobicContact CE1-CB 4.25Å; Y75-P458 HydrophobicContact CE1-CG 3.84Å; P458-I482 HydrophobicContact CB-CD1 3.68Å; P458-I482 HydrophobicContact CB-CG1 3.91Å; P458-I482 HydrophobicContact CG-CD1 3.73Å; P458-I482 HydrophobicContact CG-CG1 3.5Å; P458-I482 VanDerWaalsContact CG-CG1 3.5Å; P458-I483 WeakPolarHBondContact CD-O 3.47Å; P458-I483 WeakPolarHBondContact CG-O 3.33Å
459	I	93.5	Very high	96.5	Very high	74 Å²	74	35.6 Å²	35.6	38%	0.379	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.8	-47.3	178.4	-51.8	-60	0	0	0	111.5	C457 I482 R484	C457-I459 PolarHBondContact O-N 2.99Å; C457-I459 VanDerWaalsContact O-N 3.13Å; I459-I482 HydrophobicContact CD1-CD1 3.56Å; I459-I482 HydrophobicContact CD1-CG1 4.36Å; I459-R484 HydrophobicContact CG1-CB 4.21Å; I459-R484 HydrophobicContact CG1-CG 4.25Å
460	T	96.4	Very high	96.5	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.012	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.8	-7.3	-171.3	62.3	0	0	0	0	113.9	C457 H462 S486 T490	C457-T460 WeakPolarHBondContact CB-OG1 3.15Å; C457-T460 PolarHBondContact SG-OG1 3.37Å; C457-T460 VanDerWaalsContact SG-OG1 3.4Å; T460-H462 PolarHBondContact O-N 3.01Å; T460-H462 PolarHBondContact O-ND1 3.4Å; T460-S486 VanDerWaalsContact CG2-OG 3.24Å; T460-S486 WeakPolarHBondContact CG2-OG 3.21Å; T460-S486 WeakPolarHBondContact OG1-CB 3.43Å; T460-S486 PolarHBondContact OG1-OG 3.36Å; T460-T490 HydrophobicContact CG2-CG2 4.12Å
461	Y	97.3	Very high	96.4	Very high	34 Å²	34	38.8 Å²	38.8	13%	0.133	20%	0.198	C	C	.	.			trans	56.6	14.2	-176.9	-49.3	-68.3	0	0	0	115.4	R53 K64 C457 D492	R53-Y461 VanDerWaalsContact C-CE1 3.47Å; R53-Y461 VanDerWaalsContact CA-CD1 3.43Å; R53-Y461 HydrophobicContact CB-CD1 4.18Å; R53-Y461 HydrophobicContact CB-CE1 4.07Å; R53-Y461 HydrophobicContact CB-CE2 4.47Å; R53-Y461 HydrophobicContact CB-CG 4.38Å; R53-Y461 HydrophobicContact CG-CD1 4.47Å; R53-Y461 HydrophobicContact CG-CD2 4.16Å; R53-Y461 HydrophobicContact CG-CE2 4.4Å; R53-Y461 HydrophobicContact CG-CG 4.18Å; R53-Y461 VanDerWaalsContact CZ-CE2 3.45Å; R53-Y461 VanDerWaalsContact NH1-CD2 3.31Å; R53-Y461 WeakPolarHBondContact O-CE1 3.44Å; K64-Y461 VanDerWaalsContact CE-OH 3.3Å; K64-Y461 WeakPolarHBondContact CE-OH 3.49Å; K64-Y461 PolarHBondContact NZ-OH 2.95Å; C457-Y461 WeakPolarHBondContact O-CA 3.19Å; C457-Y461 PolarHBondContact O-N 3.39Å; Y461-D492 HydrophobicContact CD2-CB 4.46Å; Y461-D492 WeakPolarHBondContact CD2-OD2 3.25Å; Y461-D492 WeakPolarHBondContact CE2-OD2 3.3Å
462	H	97.6	Very high	96.2	Very high	59 Å²	59	38.9 Å²	38.9	27%	0.273	20%	0.198	S	C	.	.			trans	-71.8	140.4	171.8	-75.9	66.5	0	0	0	110.3	A456 C457 T460 I464 M491	A456-H462 WeakPolarHBondContact CA-O 3.4Å; C457-H462 PolarHBondContact N-O 3.21Å; T460-H462 PolarHBondContact O-N 3.01Å; T460-H462 PolarHBondContact O-ND1 3.4Å; H462-I464 HydrophobicContact CB-CD1 4.36Å; H462-I464 PolarHBondContact O-N 3.02Å; H462-M491 PolarHBondContact CE1-O 3.44Å
463	W	97.9	Very high	95.9	Very high	48 Å²	48	37.4 Å²	37.4	18%	0.182	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	114.1	178	-65.4	101.7	0	0	0	110.3	T76 R78 Y433 Y454 A456	T76-W463 HydrophobicContact CG2-CH2 3.3Å; T76-W463 HydrophobicContact CG2-CZ2 4.26Å; T76-W463 HydrophobicContact CG2-CZ3 3.76Å; R78-W463 HydrophobicContact CB-CH2 4.1Å; R78-W463 HydrophobicContact CB-CZ3 4.01Å; R78-W463 HydrophobicContact CG-CD2 4.3Å; R78-W463 HydrophobicContact CG-CE3 3.74Å; R78-W463 HydrophobicContact CG-CH2 3.83Å; R78-W463 HydrophobicContact CG-CZ2 4.46Å; R78-W463 HydrophobicContact CG-CZ3 3.47Å; R78-W463 VanDerWaalsContact CG-CZ3 3.47Å; R78-W463 VanDerWaalsContact CZ-CD1 3.47Å; R78-W463 VanDerWaalsContact CZ-CG 3.47Å; R78-W463 VanDerWaalsContact NH2-CD1 3.28Å; R78-W463 VanDerWaalsContact NH2-CG 3.29Å; Y433-W463 HydrophobicContact CD1-CH2 4.45Å; Y433-W463 AromaticContact CE1-CH2 3.63Å; Y433-W463 HydrophobicContact CE1-CH2 3.63Å; Y433-W463 AromaticContact CE1-CZ2 3.82Å; Y433-W463 HydrophobicContact CE1-CZ2 3.82Å; Y433-W463 AromaticContact CZ-CH2 3.76Å; Y433-W463 AromaticContact CZ-CZ2 3.67Å; Y433-W463 WeakPolarHBondContact OH-CZ2 3.26Å; Y454-W463 HydrophobicContact CD1-CB 4.45Å; A456-W463 HydrophobicContact CB-CD2 4.42Å; A456-W463 HydrophobicContact CB-CE3 4.02Å; A456-W463 HydrophobicContact CB-CH2 4.18Å; A456-W463 HydrophobicContact CB-CZ2 4.46Å; A456-W463 HydrophobicContact CB-CZ3 3.9Å
464	I	98	Very high	95.6	Very high	30 Å²	30	41.6 Å²	41.6	15%	0.154	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	136.9	-179.5	-52.7	-57.1	0	0	0	108.9	Y454 L455 H462 I466 D468 F485	Y454-I464 CarbonylContact C-O 3.53Å; Y454-I464 WeakPolarHBondContact CA-O 2.88Å; L455-I464 PolarHBondContact N-O 2.89Å; L455-I464 PolarHBondContact O-N 3.19Å; H462-I464 HydrophobicContact CB-CD1 4.36Å; H462-I464 PolarHBondContact O-N 3.02Å; I464-I466 PolarHBondContact O-N 2.81Å; I464-D468 HydrophobicContact CG2-CB 4.12Å; I464-F485 HydrophobicContact CB-CB 4.17Å; I464-F485 HydrophobicContact CG1-CB 3.81Å; I464-F485 HydrophobicContact CG2-CB 4.3Å
465	P	98	Very high	95	Very high	54 Å²	54	44.4 Å²	44.4	35%	0.351	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.9	135.5	176.7	-25.9	34.6	0	0	0	111.8	Y454 N467 D468 C469	Y454-P465 HydrophobicContact CD1-CG 4.37Å; Y454-P465 HydrophobicContact CE1-CB 4.49Å; Y454-P465 HydrophobicContact CE1-CG 4.12Å; P465-N467 PolarHBondContact O-N 3.15Å; P465-N467 VanDerWaalsContact O-N 3.16Å; P465-D468 PolarHBondContact O-N 3.43Å; P465-D468 VanDerWaalsContact O-N 3.1Å; P465-C469 PolarHBondContact O-N 2.94Å; P465-C469 PolarHBondContact O-SG 2.97Å
466	I	96.1	Very high	94	Very high	5 Å²	5	49.8 Å²	49.8	3%	0.026	25%	0.248	C	C	.	.	H	α-helix	trans	-60.7	-33.4	-171.1	-168.1	156.5	0	0	0	113.2	I77 A453 L455 I464 D468 C469 L470	I77-I466 HydrophobicContact CD1-CD1 3.54Å; I77-I466 HydrophobicContact CG1-CD1 4.45Å; A453-I466 HydrophobicContact CB-CB 4.09Å; A453-I466 HydrophobicContact CB-CD1 4.08Å; A453-I466 HydrophobicContact CB-CG2 3.79Å; A453-I466 WeakPolarHBondContact O-CB 3.32Å; A453-I466 WeakPolarHBondContact O-CG2 3.36Å; A453-I466 PolarHBondContact O-N 2.98Å; L455-I466 HydrophobicContact CD2-CD1 4.12Å; L455-I466 HydrophobicContact CD2-CG1 4.5Å; L455-I466 HydrophobicContact CG-CD1 4.34Å; L455-I466 HydrophobicContact CG-CG1 4.18Å; I464-I466 PolarHBondContact O-N 2.81Å; I466-D468 VanDerWaalsContact C-N 3.31Å; I466-D468 PolarHBondContact O-N 3.28Å; I466-C469 PolarHBondContact O-N 3.33Å; I466-L470 HydrophobicContact CG1-CD1 4.13Å; I466-L470 HydrophobicContact CG1-CG 4.09Å; I466-L470 WeakPolarHBondContact O-CB 3.2Å; I466-L470 WeakPolarHBondContact O-CG 3.48Å; I466-L470 PolarHBondContact O-N 3.44Å
467	N	95.5	Very high	92.4	Very high	115 Å²	115	55.3 Å²	55.3	62%	0.615	28%	0.277	S	S	*	.	H	α-helix	trans	-64.3	-38.2	179.8	-68.7	-21	0	0	0	111.7	P465 L470 H471	P465-N467 PolarHBondContact O-N 3.15Å; P465-N467 VanDerWaalsContact O-N 3.16Å; N467-L470 PolarHBondContact O-N 3.28Å; N467-H471 PolarHBondContact O-N 3.37Å
468	D	96.2	Very high	90.5	Very high	88 Å²	88	58.9 Å²	58.9	47%	0.471	30%	0.302	S	S	.	.	H	α-helix	trans	-67.3	-43.4	177	-55	-20.7	0	0	0	109.8	I464 P465 I466 L470 H471 I472	I464-D468 HydrophobicContact CG2-CB 4.12Å; P465-D468 PolarHBondContact O-N 3.43Å; P465-D468 VanDerWaalsContact O-N 3.1Å; I466-D468 VanDerWaalsContact C-N 3.31Å; I466-D468 PolarHBondContact O-N 3.28Å; D468-L470 PolarHBondContact O-N 3.09Å; D468-H471 PolarHBondContact O-N 2.82Å; D468-I472 WeakPolarHBondContact O-CG1 3.35Å; D468-I472 PolarHBondContact O-N 2.84Å; D468-I472 VanDerWaalsContact O-N 3.16Å
469	C	95.4	Very high	88.9	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-61.6	-43.5	175	-54.9	0	0	0	0	112.2	L455 P465 I466 H471 I472 L473 F485	L455-C469 HydrophobicContact CB-CB 4.38Å; L455-C469 HydrophobicContact CD1-CB 3.69Å; L455-C469 HydrophobicContact CG-CB 4.21Å; P465-C469 PolarHBondContact O-N 2.94Å; P465-C469 PolarHBondContact O-SG 2.97Å; I466-C469 PolarHBondContact O-N 3.33Å; C469-H471 VanDerWaalsContact C-N 3.33Å; C469-H471 PolarHBondContact O-N 2.97Å; C469-I472 PolarHBondContact O-N 2.77Å; C469-L473 WeakPolarHBondContact O-CB 3.43Å; C469-L473 VanDerWaalsContact O-CG 3.22Å; C469-L473 WeakPolarHBondContact O-CG 3.08Å; C469-L473 PolarHBondContact O-N 2.91Å; C469-F485 HydrophobicContact CB-CD1 4.1Å; C469-F485 HydrophobicContact CB-CD2 4.24Å; C469-F485 HydrophobicContact CB-CE1 4.09Å; C469-F485 HydrophobicContact CB-CE2 4.22Å; C469-F485 HydrophobicContact CB-CG 4.2Å; C469-F485 HydrophobicContact CB-CZ 4.15Å
470	L	93.3	Very high	87.4	Confident	32 Å²	32	63.7 Å²	63.7	17%	0.168	32%	0.323	C	S	.	.	H	α-helix	trans	-63.8	-40.1	179	-71.4	175.5	0	0	0	111.5	Y437 I466 N467 D468 I472 L473 N474	Y437-L470 HydrophobicContact CE1-CD2 3.99Å; Y437-L470 WeakPolarHBondContact OH-CD2 3.44Å; I466-L470 HydrophobicContact CG1-CD1 4.13Å; I466-L470 HydrophobicContact CG1-CG 4.09Å; I466-L470 WeakPolarHBondContact O-CB 3.2Å; I466-L470 WeakPolarHBondContact O-CG 3.48Å; I466-L470 PolarHBondContact O-N 3.44Å; N467-L470 PolarHBondContact O-N 3.28Å; D468-L470 PolarHBondContact O-N 3.09Å; L470-I472 VanDerWaalsContact C-N 3.32Å; L470-I472 PolarHBondContact O-N 2.8Å; L470-L473 PolarHBondContact O-N 2.81Å; L470-N474 VanDerWaalsContact O-CB 3.32Å; L470-N474 WeakPolarHBondContact O-CB 3.28Å; L470-N474 PolarHBondContact O-N 2.88Å; L470-N474 PolarHBondContact O-ND2 3.34Å
471	H	92.9	Very high	86.3	Confident	117 Å²	117	66.1 Å²	66.1	54%	0.542	34%	0.34	S	S	.	.	H	α-helix	trans	-57.7	-46.9	174.6	179.9	-91.2	0	0	0	111.2	N467 D468 C469 Q475	N467-H471 PolarHBondContact O-N 3.37Å; D468-H471 PolarHBondContact O-N 2.82Å; C469-H471 VanDerWaalsContact C-N 3.33Å; C469-H471 PolarHBondContact O-N 2.97Å; H471-Q475 PolarHBondContact CE1-NE2 3.01Å; H471-Q475 WeakPolarHBondContact O-CG 3.33Å; H471-Q475 PolarHBondContact O-N 3.42Å
472	I	92.2	Very high	85.7	Confident	37 Å²	37	67.2 Å²	67.2	19%	0.19	35%	0.348	C	S	.	.	H	α-helix	trans	-64	-50.9	176.6	-59.2	167	0	0	0	110.4	D468 C469 L470 N474 Q475 F476 I483 F485	D468-I472 WeakPolarHBondContact O-CG1 3.35Å; D468-I472 PolarHBondContact O-N 2.84Å; D468-I472 VanDerWaalsContact O-N 3.16Å; C469-I472 PolarHBondContact O-N 2.77Å; L470-I472 VanDerWaalsContact C-N 3.32Å; L470-I472 PolarHBondContact O-N 2.8Å; I472-N474 VanDerWaalsContact C-N 3.31Å; I472-N474 PolarHBondContact O-N 2.81Å; I472-Q475 WeakPolarHBondContact O-CB 3.32Å; I472-Q475 PolarHBondContact O-N 2.69Å; I472-F476 HydrophobicContact CG2-CD2 3.71Å; I472-F476 HydrophobicContact CG2-CE2 3.78Å; I472-F476 VanDerWaalsContact O-CD2 3.28Å; I472-F476 WeakPolarHBondContact O-CD2 3.24Å; I472-F476 PolarHBondContact O-N 2.94Å; I472-I483 HydrophobicContact CG2-CG2 3.41Å; I472-I483 VanDerWaalsContact CG2-CG2 3.41Å; I472-F485 HydrophobicContact CD1-CD1 4.31Å
473	L	91.4	Very high	85.3	Confident	7 Å²	7	65.2 Å²	65.2	4%	0.037	34%	0.339	C	S	.	.	H	α-helix	trans	-57.5	-42.6	-177.7	-71.6	166.6	0	0	0	112.6	Y75 Y437 H439 L455 C469 L470 Q475 F476 N477 I483 F485	Y75-L473 HydrophobicContact CE2-CD2 3.92Å; Y437-L473 HydrophobicContact CE1-CD1 4.1Å; H439-L473 HydrophobicContact CB-CD1 4.12Å; L455-L473 HydrophobicContact CD1-CD1 4.32Å; C469-L473 WeakPolarHBondContact O-CB 3.43Å; C469-L473 VanDerWaalsContact O-CG 3.22Å; C469-L473 WeakPolarHBondContact O-CG 3.08Å; C469-L473 PolarHBondContact O-N 2.91Å; L470-L473 PolarHBondContact O-N 2.81Å; L473-Q475 VanDerWaalsContact C-N 3.3Å; L473-Q475 PolarHBondContact O-N 3.32Å; L473-F476 PolarHBondContact O-N 3.26Å; L473-N477 PolarHBondContact O-N 3.04Å; L473-I483 HydrophobicContact CD2-CB 4.37Å; L473-I483 HydrophobicContact CD2-CD1 3.79Å; L473-F485 HydrophobicContact CD1-CE1 4.25Å; L473-F485 HydrophobicContact CD1-CZ 4.05Å; L473-F485 HydrophobicContact CD2-CE1 3.91Å; L473-F485 HydrophobicContact CD2-CZ 4.03Å; L473-F485 HydrophobicContact CG-CE1 3.85Å; L473-F485 HydrophobicContact CG-CZ 4.1Å
474	N	89.5	Confident	85.1	Confident	91 Å²	91	65.9 Å²	65.9	49%	0.487	34%	0.342	S	S	.	.	H	α-helix	trans	-65.4	-30.7	177.3	-71	-30.1	0	0	0	112.9	H439 L470 I472 N477	H439-N474 PolarHBondContact CE1-OD1 3.24Å; H439-N474 PolarHBondContact NE2-OD1 3.3Å; H439-N474 VanDerWaalsContact NE2-OD1 3.09Å; L470-N474 VanDerWaalsContact O-CB 3.32Å; L470-N474 WeakPolarHBondContact O-CB 3.28Å; L470-N474 PolarHBondContact O-N 2.88Å; L470-N474 PolarHBondContact O-ND2 3.34Å; I472-N474 VanDerWaalsContact C-N 3.31Å; I472-N474 PolarHBondContact O-N 2.81Å; N474-N477 PolarHBondContact O-OD1 3.29Å
475	Q	86.3	Confident	85	Confident	119 Å²	119	65.1 Å²	65.1	56%	0.556	34%	0.337	S	S	*	.	H	α-helix	trans	-72.5	-38.3	178.1	-75.7	178.5	-19.6	0	0	112	H471 I472 L473	H471-Q475 PolarHBondContact CE1-NE2 3.01Å; H471-Q475 WeakPolarHBondContact O-CG 3.33Å; H471-Q475 PolarHBondContact O-N 3.42Å; I472-Q475 WeakPolarHBondContact O-CB 3.32Å; I472-Q475 PolarHBondContact O-N 2.69Å; L473-Q475 VanDerWaalsContact C-N 3.3Å; L473-Q475 PolarHBondContact O-N 3.32Å
476	F	76.9	Confident	84.9	Confident	113 Å²	113	63.1 Å²	63.1	50%	0.496	32%	0.324	S	S	.	.	H	α-helix	trans	-83.4	-19.9	-168.8	-80.5	-77.9	0	0	0	113.9	I472 L473 S478 I483	I472-F476 HydrophobicContact CG2-CD2 3.71Å; I472-F476 HydrophobicContact CG2-CE2 3.78Å; I472-F476 VanDerWaalsContact O-CD2 3.28Å; I472-F476 WeakPolarHBondContact O-CD2 3.24Å; I472-F476 PolarHBondContact O-N 2.94Å; L473-F476 PolarHBondContact O-N 3.26Å; F476-S478 WeakPolarHBondContact O-CA 3.19Å; F476-S478 WeakPolarHBondContact O-CB 3Å; F476-S478 PolarHBondContact O-N 2.58Å; F476-S478 PolarHBondContact O-OG 3.37Å; F476-I483 HydrophobicContact CB-CD1 3.56Å; F476-I483 HydrophobicContact CB-CG1 4.32Å; F476-I483 HydrophobicContact CG-CD1 4.24Å
477	N	63.9	Low	84.8	Confident	120 Å²	120	64.8 Å²	64.8	64%	0.642	34%	0.337	S	S	*	.			trans	37.2	-0.9	174.4	-93.3	-4.2	0	0	0	118.6	L473 N474 I479	L473-N477 PolarHBondContact O-N 3.04Å; N474-N477 PolarHBondContact O-OD1 3.29Å; N477-I479 PolarHBondContact O-N 3.14Å
478	S	58.1	Low	84.6	Confident	74 Å²	74	68.2 Å²	68.2	52%	0.517	35%	0.346	S	S	.	.			trans	-83.3	107.6	-173.9	-63.2	0	0	0	0	104.9	F476 H480	F476-S478 WeakPolarHBondContact O-CA 3.19Å; F476-S478 WeakPolarHBondContact O-CB 3Å; F476-S478 PolarHBondContact O-N 2.58Å; F476-S478 PolarHBondContact O-OG 3.37Å; S478-H480 PolarHBondContact O-N 3.27Å
479	I	61.3	Low	84.5	Confident	91 Å²	91	69.1 Å²	69.1	47%	0.467	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-8.7	-162.8	-60.8	175.5	0	0	0	112.5	C71 N477	C71-I479 VanDerWaalsContact O-O 3.11Å; N477-I479 PolarHBondContact O-N 3.14Å
480	H	62.1	Low	84.5	Confident	102 Å²	102	70.1 Å²	70.1	47%	0.472	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-135.3	8	-165.1	-55.6	-53.5	0	0	0	116.2	C71 S478	C71-H480 PolarHBondContact O-ND1 3.13Å; C71-H480 VanDerWaalsContact O-ND1 3.16Å; S478-H480 PolarHBondContact O-N 3.27Å
481	S	73.2	Confident	84.6	Confident	53 Å²	53	74.6 Å²	74.6	37%	0.371	38%	0.383	S	S	.	.			trans	-106	135.9	176	59.1	0	0	0	0	112.6	I483	S481-I483 PolarHBondContact O-N 3.23Å
482	I	84.9	Confident	84.7	Confident	57 Å²	57	69.9 Å²	69.9	29%	0.292	36%	0.361	S	S	.	.			trans	-60.4	129.4	166.3	-176.2	175.9	0	0	0	109.7	N67 P458 I459	N67-I482 HydrophobicContact CB-CB 4.13Å; N67-I482 HydrophobicContact CB-CD1 3.87Å; N67-I482 HydrophobicContact CB-CG1 4.02Å; P458-I482 HydrophobicContact CB-CD1 3.68Å; P458-I482 HydrophobicContact CB-CG1 3.91Å; P458-I482 HydrophobicContact CG-CD1 3.73Å; P458-I482 HydrophobicContact CG-CG1 3.5Å; P458-I482 VanDerWaalsContact CG-CG1 3.5Å; I459-I482 HydrophobicContact CD1-CD1 3.56Å; I459-I482 HydrophobicContact CD1-CG1 4.36Å
483	I	89.2	Confident	84.8	Confident	17 Å²	17	73.1 Å²	73.1	9%	0.087	38%	0.379	C	S	.	.			trans	-110.5	129.2	-179.7	-68.8	161.4	0	0	0	110	Y75 P458 I472 L473 F476 S481 F485	Y75-I483 PolarHBondContact OH-N 2.8Å; P458-I483 WeakPolarHBondContact CD-O 3.47Å; P458-I483 WeakPolarHBondContact CG-O 3.33Å; I472-I483 HydrophobicContact CG2-CG2 3.41Å; I472-I483 VanDerWaalsContact CG2-CG2 3.41Å; L473-I483 HydrophobicContact CD2-CB 4.37Å; L473-I483 HydrophobicContact CD2-CD1 3.79Å; F476-I483 HydrophobicContact CB-CD1 3.56Å; F476-I483 HydrophobicContact CB-CG1 4.32Å; F476-I483 HydrophobicContact CG-CD1 4.24Å; S481-I483 PolarHBondContact O-N 3.23Å; I483-F485 HydrophobicContact CB-CE1 4.26Å; I483-F485 HydrophobicContact CG2-CD1 4.07Å; I483-F485 HydrophobicContact CG2-CE1 3.87Å
484	R	93.3	Very high	85	Confident	62 Å²	62	76.2 Å²	76.2	23%	0.234	40%	0.396	C	S	.	.			trans	-81.2	126.4	174.1	-176.2	-177.7	176.7	114	-0.7	109.8	I459 S486 S487 F488 T490	I459-R484 HydrophobicContact CG1-CB 4.21Å; I459-R484 HydrophobicContact CG1-CG 4.25Å; R484-S486 PolarHBondContact NE-O 3.22Å; R484-S487 PolarHBondContact NE-O 3.2Å; R484-S487 PolarHBondContact NH2-O 3.48Å; R484-F488 PolarHBondContact NH2-O 2.71Å; R484-T490 PolarHBondContact NH2-O 3.35Å
485	F	95.4	Very high	85.4	Confident	14 Å²	14	73.6 Å²	73.6	6%	0.061	39%	0.385	C	S	.	.			trans	-96.1	-28.6	178.6	-55.2	-39.6	0	0	0	113.9	Y75 L455 C457 I464 C469 I472 L473 I483	Y75-F485 AromaticContact CD1-CE2 3.43Å; Y75-F485 HydrophobicContact CD1-CE2 3.43Å; Y75-F485 VanDerWaalsContact CD1-CE2 3.43Å; Y75-F485 AromaticContact CD1-CZ 3.54Å; Y75-F485 HydrophobicContact CD1-CZ 3.54Å; Y75-F485 HydrophobicContact CD2-CZ 4.44Å; Y75-F485 HydrophobicContact CE1-CE1 4.39Å; Y75-F485 AromaticContact CE1-CE2 3.75Å; Y75-F485 HydrophobicContact CE1-CE2 3.75Å; Y75-F485 AromaticContact CE1-CZ 3.44Å; Y75-F485 HydrophobicContact CE1-CZ 3.44Å; Y75-F485 VanDerWaalsContact CE1-CZ 3.44Å; Y75-F485 HydrophobicContact CE2-CZ 4.38Å; Y75-F485 HydrophobicContact CG-CE2 4.03Å; Y75-F485 HydrophobicContact CG-CZ 4.04Å; Y75-F485 AromaticContact CZ-CZ 3.91Å; L455-F485 HydrophobicContact CB-CD2 4.24Å; L455-F485 HydrophobicContact CB-CE2 3.92Å; L455-F485 HydrophobicContact CD1-CE2 3.99Å; L455-F485 HydrophobicContact CD1-CZ 4.2Å; C457-F485 HydrophobicContact CB-CB 4.24Å; C457-F485 PolarHBondContact SG-N 2.92Å; C457-F485 VanDerWaalsContact SG-N 3.44Å; I464-F485 HydrophobicContact CB-CB 4.17Å; I464-F485 HydrophobicContact CG1-CB 3.81Å; I464-F485 HydrophobicContact CG2-CB 4.3Å; C469-F485 HydrophobicContact CB-CD1 4.1Å; C469-F485 HydrophobicContact CB-CD2 4.24Å; C469-F485 HydrophobicContact CB-CE1 4.09Å; C469-F485 HydrophobicContact CB-CE2 4.22Å; C469-F485 HydrophobicContact CB-CG 4.2Å; C469-F485 HydrophobicContact CB-CZ 4.15Å; I472-F485 HydrophobicContact CD1-CD1 4.31Å; L473-F485 HydrophobicContact CD1-CE1 4.25Å; L473-F485 HydrophobicContact CD1-CZ 4.05Å; L473-F485 HydrophobicContact CD2-CE1 3.91Å; L473-F485 HydrophobicContact CD2-CZ 4.03Å; L473-F485 HydrophobicContact CG-CE1 3.85Å; L473-F485 HydrophobicContact CG-CZ 4.1Å; I483-F485 HydrophobicContact CB-CE1 4.26Å; I483-F485 HydrophobicContact CG2-CD1 4.07Å; I483-F485 HydrophobicContact CG2-CE1 3.87Å
486	S	95.5	Very high	85.8	Confident	11 Å²	11	68.3 Å²	68.3	8%	0.077	36%	0.36	C	S	.	.	S	Bend	trans	-80.8	160.4	177.5	62.5	0	0	0	0	111.7	C457 T460 R484	C457-S486 PolarHBondContact SG-OG 3.27Å; T460-S486 VanDerWaalsContact CG2-OG 3.24Å; T460-S486 WeakPolarHBondContact CG2-OG 3.21Å; T460-S486 WeakPolarHBondContact OG1-CB 3.43Å; T460-S486 PolarHBondContact OG1-OG 3.36Å; R484-S486 PolarHBondContact NE-O 3.22Å
487	S	93.8	Very high	86.5	Confident	41 Å²	41	65.8 Å²	65.8	29%	0.287	36%	0.355	S	S	.	.			trans	-54.3	153.1	173.6	73.4	0	0	0	0	111.6	H183 R484 T489 T490	H183-S487 PolarHBondContact NE2-OG 2.91Å; R484-S487 PolarHBondContact NE-O 3.2Å; R484-S487 PolarHBondContact NH2-O 3.48Å; S487-T489 PolarHBondContact O-N 3.3Å; S487-T489 PolarHBondContact OG-OG1 3.04Å; S487-T489 VanDerWaalsContact OG-OG1 3.14Å; S487-T490 WeakPolarHBondContact O-CB 3.34Å; S487-T490 PolarHBondContact O-N 3.28Å; S487-T490 VanDerWaalsContact O-N 3.13Å; S487-T490 PolarHBondContact OG-N 3.41Å; S487-T490 PolarHBondContact OG-OG1 3.46Å
488	F	92.1	Very high	87.7	Confident	187 Å²	187	66.9 Å²	66.9	82%	0.82	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-23.4	178.2	-72.1	-76.4	0	0	0	113.6	R484	R484-F488 PolarHBondContact NH2-O 2.71Å
489	T	94.5	Very high	89.4	Confident	106 Å²	106	69.7 Å²	69.7	65%	0.65	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-14.8	177.3	50	0	0	0	0	113.7	H183 S487	H183-T489 PolarHBondContact CE1-OG1 2.91Å; S487-T489 PolarHBondContact O-N 3.3Å; S487-T489 PolarHBondContact OG-OG1 3.04Å; S487-T489 VanDerWaalsContact OG-OG1 3.14Å
490	T	95.8	Very high	91	Very high	21 Å²	21	67.5 Å²	67.5	13%	0.129	36%	0.364	C	S	.	.			trans	-69.8	139.1	176.2	-58.2	0	0	0	0	110.2	T460 R484 S487	T460-T490 HydrophobicContact CG2-CG2 4.12Å; R484-T490 PolarHBondContact NH2-O 3.35Å; S487-T490 WeakPolarHBondContact O-CB 3.34Å; S487-T490 PolarHBondContact O-N 3.28Å; S487-T490 VanDerWaalsContact O-N 3.13Å; S487-T490 PolarHBondContact OG-N 3.41Å; S487-T490 PolarHBondContact OG-OG1 3.46Å
491	M	94.1	Very high	92.6	Very high	126 Å²	126	66.7 Å²	66.7	62%	0.621	36%	0.363	S	S	*	.			trans	-116.6	161.9	174.8	-64.3	-61.2	-76.7	0	0	110.9	H462 N493	H462-M491 PolarHBondContact CE1-O 3.44Å; M491-N493 PolarHBondContact O-N 2.78Å
492	D	95.9	Very high	93.7	Very high	18 Å²	18	68 Å²	68	10%	0.096	37%	0.365	C	S	.	.			trans	-71.9	109	167.2	174.8	10.8	0	0	0	109.1	R53 Y461 N494 S495	R53-D492 IonicContact CZ-OD2 3.69Å; R53-D492 VanDerWaalsContact NH1-CG 3.27Å; R53-D492 IonicContact NH1-OD1 2.67Å; R53-D492 PolarHBondContact NH1-OD1 3.49Å; R53-D492 IonicContact NH1-OD2 2.68Å; R53-D492 PolarHBondContact NH1-OD2 3.28Å; R53-D492 IonicContact NH2-OD2 3.41Å; R53-D492 PolarHBondContact NH2-OD2 3.11Å; Y461-D492 HydrophobicContact CD2-CB 4.46Å; Y461-D492 WeakPolarHBondContact CD2-OD2 3.25Å; Y461-D492 WeakPolarHBondContact CE2-OD2 3.3Å; D492-N494 PolarHBondContact O-N 2.73Å; D492-N494 WeakPolarHBondContact OD1-CA 3.42Å; D492-N494 PolarHBondContact OD1-N 3.35Å; D492-S495 VanDerWaalsContact CG-N 3.28Å; D492-S495 PolarHBondContact O-N 3.48Å; D492-S495 VanDerWaalsContact O-N 3.11Å; D492-S495 PolarHBondContact O-OG 3.11Å; D492-S495 PolarHBondContact OD1-N 3.01Å; D492-S495 WeakPolarHBondContact OD2-CB 3.45Å; D492-S495 PolarHBondContact OD2-N 3.08Å
493	N	94.4	Very high	94.2	Very high	105 Å²	105	68.2 Å²	68.2	56%	0.561	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-22.4	-179	-64.8	-26.5	0	0	0	112.9	M491 K583	M491-N493 PolarHBondContact O-N 2.78Å; N493-K583 WeakPolarHBondContact O-CE 3.43Å; N493-K583 PolarHBondContact O-NZ 3.14Å
494	N	95.8	Very high	94.5	Very high	72 Å²	72	71.9 Å²	71.9	39%	0.385	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.2	8.3	-177.1	-65	-49.6	0	0	0	113	Y49 D492 G582 K583	Y49-N494 HydrophobicContact CE2-CB 4.01Å; D492-N494 PolarHBondContact O-N 2.73Å; D492-N494 WeakPolarHBondContact OD1-CA 3.42Å; D492-N494 PolarHBondContact OD1-N 3.35Å; N494-G582 CarbonylContact O-C 3.59Å; N494-G582 WeakPolarHBondContact O-CA 3.49Å; N494-K583 PolarHBondContact O-N 2.83Å
495	S	96.1	Very high	94.6	Very high	37 Å²	37	69.2 Å²	69.2	26%	0.259	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-70.1	145.1	175	60.7	0	0	0	0	111.1	D492 K583	D492-S495 VanDerWaalsContact CG-N 3.28Å; D492-S495 PolarHBondContact O-N 3.48Å; D492-S495 VanDerWaalsContact O-N 3.11Å; D492-S495 PolarHBondContact O-OG 3.11Å; D492-S495 PolarHBondContact OD1-N 3.01Å; D492-S495 WeakPolarHBondContact OD2-CB 3.45Å; D492-S495 PolarHBondContact OD2-N 3.08Å; S495-K583 WeakPolarHBondContact O-CE 3.28Å; S495-K583 WeakPolarHBondContact O-CG 3.33Å
496	I	95.8	Very high	94.7	Very high	7 Å²	7	68.6 Å²	68.6	4%	0.036	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-71.4	128.2	161.6	-62.9	177.4	0	0	0	106.3	D498 I500 L505 A578 L586	I496-D498 PolarHBondContact O-N 3.46Å; I496-I500 HydrophobicContact CG2-CB 4.38Å; I496-I500 HydrophobicContact CG2-CD1 4.04Å; I496-I500 HydrophobicContact CG2-CG2 3.8Å; I496-L505 HydrophobicContact CD1-CD1 4.08Å; I496-L505 HydrophobicContact CG2-CD1 4.21Å; I496-A578 HydrophobicContact CD1-CB 4.14Å; I496-A578 WeakPolarHBondContact CD1-O 3.39Å; I496-L586 HydrophobicContact CD1-CD2 4.01Å; I496-L586 HydrophobicContact CD1-CG 4.14Å; I496-L586 HydrophobicContact CG1-CD1 4.19Å; I496-L586 HydrophobicContact CG1-CD2 4.46Å; I496-L586 HydrophobicContact CG1-CG 4.21Å
497	P	92.4	Very high	94.7	Very high	60 Å²	60	70.1 Å²	70.1	39%	0.39	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-59.5	134.7	179.1	-22.7	33.2	0	0	0	111.2	T499 I500	P497-T499 PolarHBondContact O-N 2.79Å; P497-T499 VanDerWaalsContact O-N 3.16Å; P497-I500 WeakPolarHBondContact O-CB 3.37Å; P497-I500 WeakPolarHBondContact O-CG2 3.3Å; P497-I500 PolarHBondContact O-N 2.85Å
498	D	88.5	Confident	94.8	Very high	144 Å²	144	70.1 Å²	70.1	77%	0.77	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-19.9	175.3	-66.3	-46.8	0	0	0	112.5	I496 I500	I496-D498 PolarHBondContact O-N 3.46Å; D498-I500 VanDerWaalsContact C-N 3.27Å; D498-I500 PolarHBondContact O-N 3.28Å
499	T	93.1	Very high	95	Very high	133 Å²	133	61.3 Å²	61.3	82%	0.816	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	1	175.7	61.5	0	0	0	0	113.6	P497 D501	P497-T499 PolarHBondContact O-N 2.79Å; P497-T499 VanDerWaalsContact O-N 3.16Å; T499-D501 PolarHBondContact O-N 3.5Å
500	I	94.7	Very high	95.1	Very high	45 Å²	45	58.4 Å²	58.4	23%	0.231	32%	0.32	C	S	.	.	S	Bend	trans	-63.6	133.2	177	-163.3	169.1	0	0	0	109.3	I496 P497 D498 I504 L505 L586	I496-I500 HydrophobicContact CG2-CB 4.38Å; I496-I500 HydrophobicContact CG2-CD1 4.04Å; I496-I500 HydrophobicContact CG2-CG2 3.8Å; P497-I500 WeakPolarHBondContact O-CB 3.37Å; P497-I500 WeakPolarHBondContact O-CG2 3.3Å; P497-I500 PolarHBondContact O-N 2.85Å; D498-I500 VanDerWaalsContact C-N 3.27Å; D498-I500 PolarHBondContact O-N 3.28Å; I500-I504 HydrophobicContact CD1-CG2 4.15Å; I500-I504 HydrophobicContact CG1-CB 4.36Å; I500-I504 HydrophobicContact CG1-CG2 4.12Å; I500-L505 HydrophobicContact CD1-CB 4.45Å; I500-L505 HydrophobicContact CG2-CB 4.07Å; I500-L505 HydrophobicContact CG2-CD2 4.4Å; I500-L586 HydrophobicContact CD1-CD1 4.31Å; I500-L586 HydrophobicContact CD1-CD2 4.23Å
501	D	96.5	Very high	94.9	Very high	85 Å²	85	57.4 Å²	57.4	46%	0.455	31%	0.313	S	S	.	.			trans	-59.5	141	172.6	174.1	-93.3	0	0	0	110.3	T499 D503 I504 L505	T499-D501 PolarHBondContact O-N 3.5Å; D501-D503 VanDerWaalsContact C-N 3.31Å; D501-D503 PolarHBondContact O-N 3.38Å; D501-D503 WeakPolarHBondContact OD1-CA 3.14Å; D501-D503 VanDerWaalsContact OD1-CB 3.28Å; D501-D503 WeakPolarHBondContact OD1-CB 3.33Å; D501-D503 PolarHBondContact OD1-N 2.98Å; D501-I504 HydrophobicContact CB-CB 4.16Å; D501-I504 HydrophobicContact CB-CD1 3.84Å; D501-I504 HydrophobicContact CB-CG1 3.88Å; D501-I504 PolarHBondContact O-N 2.76Å; D501-I504 PolarHBondContact OD1-N 3.29Å; D501-L505 PolarHBondContact O-N 3.4Å
502	I	95.2	Very high	94.7	Very high	81 Å²	81	52 Å²	52	42%	0.415	29%	0.286	S	S	.	.	H	α-helix	trans	-70.9	-28.8	-171	-155.4	165.4	0	0	0	112.6	D506 R563	I502-D506 WeakPolarHBondContact O-CB 3.42Å; I502-D506 VanDerWaalsContact O-CG 3.29Å; I502-D506 PolarHBondContact O-N 2.86Å; I502-R563 PolarHBondContact O-NH2 2.81Å; I502-R563 VanDerWaalsContact O-NH2 3.14Å
503	D	96.1	Very high	94.2	Very high	60 Å²	60	53.6 Å²	53.6	32%	0.321	29%	0.294	S	S	.	.	H	α-helix	trans	-76.7	-36.8	175.9	-66.5	-9.7	0	0	0	110.3	D501 S507 Y560 R563	D501-D503 VanDerWaalsContact C-N 3.31Å; D501-D503 PolarHBondContact O-N 3.38Å; D501-D503 WeakPolarHBondContact OD1-CA 3.14Å; D501-D503 VanDerWaalsContact OD1-CB 3.28Å; D501-D503 WeakPolarHBondContact OD1-CB 3.33Å; D501-D503 PolarHBondContact OD1-N 2.98Å; D503-S507 VanDerWaalsContact O-CB 3.27Å; D503-S507 WeakPolarHBondContact O-CB 3.27Å; D503-S507 PolarHBondContact O-N 2.94Å; D503-S507 PolarHBondContact O-OG 2.75Å; D503-Y560 HydrophobicContact CB-CD2 3.97Å; D503-Y560 HydrophobicContact CB-CE2 3.74Å; D503-R563 IonicContact OD1-CZ 3.07Å; D503-R563 IonicContact OD1-NH1 2.69Å; D503-R563 PolarHBondContact OD1-NH1 3.43Å; D503-R563 IonicContact OD1-NH2 3.93Å; D503-R563 PolarHBondContact OD1-NH2 3Å
504	I	95.5	Very high	93.5	Very high	94 Å²	94	50.2 Å²	50.2	48%	0.482	28%	0.275	S	S	.	.	H	α-helix	trans	-62	-47.1	169.9	-61.4	-179	0	0	0	110.5	I500 D501 D506 S507 N508	I500-I504 HydrophobicContact CD1-CG2 4.15Å; I500-I504 HydrophobicContact CG1-CB 4.36Å; I500-I504 HydrophobicContact CG1-CG2 4.12Å; D501-I504 HydrophobicContact CB-CB 4.16Å; D501-I504 HydrophobicContact CB-CD1 3.84Å; D501-I504 HydrophobicContact CB-CG1 3.88Å; D501-I504 PolarHBondContact O-N 2.76Å; D501-I504 PolarHBondContact OD1-N 3.29Å; I504-D506 PolarHBondContact O-N 3.14Å; I504-S507 PolarHBondContact O-N 3.49Å; I504-N508 PolarHBondContact O-N 3.49Å; I504-N508 PolarHBondContact O-ND2 2.73Å
505	L	96.3	Very high	92.4	Very high	7 Å²	7	50.8 Å²	50.8	4%	0.037	28%	0.278	C	S	.	.	H	α-helix	trans	-57.6	-52.5	177.8	176.1	58.7	0	0	0	111.1	I496 I500 D501 S507 N508 I509 R575 A578 L586	I496-L505 HydrophobicContact CD1-CD1 4.08Å; I496-L505 HydrophobicContact CG2-CD1 4.21Å; I500-L505 HydrophobicContact CD1-CB 4.45Å; I500-L505 HydrophobicContact CG2-CB 4.07Å; I500-L505 HydrophobicContact CG2-CD2 4.4Å; D501-L505 PolarHBondContact O-N 3.4Å; L505-S507 PolarHBondContact O-N 3.45Å; L505-N508 CarbonylContact O-C 3.42Å; L505-N508 PolarHBondContact O-N 3.28Å; L505-I509 HydrophobicContact CD1-CD1 4.1Å; L505-I509 HydrophobicContact CD1-CG1 4.36Å; L505-I509 HydrophobicContact CG-CD1 3.98Å; L505-I509 PolarHBondContact O-N 2.89Å; L505-R575 HydrophobicContact CD2-CB 4.29Å; L505-R575 HydrophobicContact CD2-CG 4.13Å; L505-A578 HydrophobicContact CD1-CB 4.38Å; L505-L586 HydrophobicContact CD1-CD2 4.14Å
506	D	96.6	Very high	90.8	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-67.5	-26.3	-177.2	-73.2	7.7	0	0	0	112.6	I502 I504 N508 I509 L559 Y560 R563 R575	I502-D506 WeakPolarHBondContact O-CB 3.42Å; I502-D506 VanDerWaalsContact O-CG 3.29Å; I502-D506 PolarHBondContact O-N 2.86Å; I504-D506 PolarHBondContact O-N 3.14Å; D506-N508 PolarHBondContact O-N 2.98Å; D506-I509 PolarHBondContact O-N 3.15Å; D506-L559 HydrophobicContact CB-CB 3.97Å; D506-L559 HydrophobicContact CB-CD2 4.25Å; D506-L559 HydrophobicContact CB-CG 4.08Å; D506-L559 VanDerWaalsContact O-CB 3.31Å; D506-L559 WeakPolarHBondContact O-CB 3.45Å; D506-L559 PolarHBondContact O-N 3.31Å; D506-L559 VanDerWaalsContact O-N 3.1Å; D506-Y560 PolarHBondContact O-N 3.5Å; D506-R563 VanDerWaalsContact CG-NH2 3.27Å; D506-R563 IonicContact OD2-CZ 3.07Å; D506-R563 IonicContact OD2-NE 3.09Å; D506-R563 PolarHBondContact OD2-NE 3.32Å; D506-R563 IonicContact OD2-NH2 3.97Å; D506-R563 PolarHBondContact OD2-NH2 3.1Å; D506-R575 IonicContact OD1-CZ 3.51Å; D506-R575 IonicContact OD1-NE 3.06Å; D506-R575 PolarHBondContact OD1-NE 3.25Å; D506-R575 IonicContact OD1-NH2 3.25Å; D506-R575 IonicContact OD2-CZ 3.37Å; D506-R575 IonicContact OD2-NE 3.53Å; D506-R575 PolarHBondContact OD2-NE 3.07Å; D506-R575 IonicContact OD2-NH2 2.67Å; D506-R575 PolarHBondContact OD2-NH2 2.95Å
507	S	96.3	Very high	88.8	Confident	43 Å²	43	58 Å²	58	30%	0.301	31%	0.309	S	S	.	.	H	α-helix	trans	-68	-18.2	173.1	-64.3	0	0	0	0	113.1	D503 I504 L505 S558	D503-S507 VanDerWaalsContact O-CB 3.27Å; D503-S507 WeakPolarHBondContact O-CB 3.27Å; D503-S507 PolarHBondContact O-N 2.94Å; D503-S507 PolarHBondContact O-OG 2.75Å; I504-S507 PolarHBondContact O-N 3.49Å; L505-S507 PolarHBondContact O-N 3.45Å; S507-S558 WeakPolarHBondContact O-CB 3.36Å
508	N	95.5	Very high	86.5	Confident	41 Å²	41	60.2 Å²	60.2	22%	0.219	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.2	8.6	-179.1	-63.5	-84.1	0	0	0	113.6	I504 L505 D506 Y510 L586	I504-N508 PolarHBondContact O-N 3.49Å; I504-N508 PolarHBondContact O-ND2 2.73Å; L505-N508 CarbonylContact O-C 3.42Å; L505-N508 PolarHBondContact O-N 3.28Å; D506-N508 PolarHBondContact O-N 2.98Å; N508-Y510 HydrophobicContact CB-CE2 4.44Å; N508-Y510 WeakPolarHBondContact O-CD2 3.34Å; N508-L586 HydrophobicContact CB-CB 4.39Å; N508-L586 HydrophobicContact CB-CD2 3.85Å; N508-L586 PolarHBondContact OD1-O 3.32Å
509	I	96.2	Very high	84.3	Confident	3 Å²	3	57.7 Å²	57.7	2%	0.015	30%	0.304	C	S	.	.			trans	-96.6	112.6	166.7	-64.7	168.5	0	0	0	106.8	L505 D506 F511 S558 L559 R575 A578 V585 I592	L505-I509 HydrophobicContact CD1-CD1 4.1Å; L505-I509 HydrophobicContact CD1-CG1 4.36Å; L505-I509 HydrophobicContact CG-CD1 3.98Å; L505-I509 PolarHBondContact O-N 2.89Å; D506-I509 PolarHBondContact O-N 3.15Å; I509-F511 HydrophobicContact CG2-CE2 3.94Å; I509-S558 CarbonylContact O-C 3.59Å; I509-S558 VanDerWaalsContact O-CA 3.3Å; I509-S558 WeakPolarHBondContact O-CA 3.24Å; I509-L559 HydrophobicContact CB-CB 3.92Å; I509-L559 HydrophobicContact CB-CD2 4.31Å; I509-L559 HydrophobicContact CD1-CD2 3.85Å; I509-L559 HydrophobicContact CG2-CB 4.16Å; I509-L559 HydrophobicContact CG2-CD2 4.27Å; I509-L559 PolarHBondContact O-N 2.75Å; I509-R575 HydrophobicContact CD1-CG 4.22Å; I509-A578 HydrophobicContact CD1-CB 3.68Å; I509-A578 HydrophobicContact CG1-CB 3.85Å; I509-V585 HydrophobicContact CG1-CG1 4.13Å; I509-I592 HydrophobicContact CG2-CD1 4Å
510	Y	95.3	Very high	81.6	Confident	44 Å²	44	58.7 Å²	58.7	17%	0.173	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	145.6	-171.9	-66.3	-80.3	0	0	0	112.7	L3 N508 P556 I557 Q591 I592	L3-Y510 HydrophobicContact CD1-CD1 4.3Å; L3-Y510 HydrophobicContact CD1-CD2 3.75Å; L3-Y510 HydrophobicContact CD1-CE1 4Å; L3-Y510 HydrophobicContact CD1-CE2 3.39Å; L3-Y510 HydrophobicContact CD1-CG 4.18Å; N508-Y510 HydrophobicContact CB-CE2 4.44Å; N508-Y510 WeakPolarHBondContact O-CD2 3.34Å; Y510-P556 HydrophobicContact CD1-CB 4.27Å; Y510-I557 CarbonylContact C-O 3.55Å; Y510-Q591 WeakPolarHBondContact O-CA 3.23Å; Y510-I592 PolarHBondContact O-N 3.13Å
511	F	93.3	Very high	78.8	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	140.6	178.1	-71.5	-100.5	0	0	0	110.6	I509 P556 I557 L559 L562 L566 F574 I592 I594	I509-F511 HydrophobicContact CG2-CE2 3.94Å; F511-P556 WeakPolarHBondContact O-CA 3.34Å; F511-I557 PolarHBondContact N-O 3Å; F511-I557 PolarHBondContact O-N 2.92Å; F511-L559 HydrophobicContact CE2-CB 3.78Å; F511-L559 HydrophobicContact CE2-CD1 3.76Å; F511-L559 HydrophobicContact CE2-CG 4.27Å; F511-L559 HydrophobicContact CZ-CD1 3.96Å; F511-L562 HydrophobicContact CB-CD1 3.63Å; F511-L562 HydrophobicContact CD1-CD1 4.27Å; F511-L562 HydrophobicContact CD2-CD1 3.76Å; F511-L562 HydrophobicContact CG-CD1 3.61Å; F511-L566 HydrophobicContact CE1-CD1 4.45Å; F511-L566 HydrophobicContact CZ-CD1 4.15Å; F511-F574 HydrophobicContact CE1-CD2 4.29Å; F511-F574 HydrophobicContact CE1-CE1 4.17Å; F511-F574 AromaticContact CE1-CE2 3.96Å; F511-F574 HydrophobicContact CE1-CE2 3.96Å; F511-F574 AromaticContact CE1-CZ 3.89Å; F511-F574 HydrophobicContact CE1-CZ 3.89Å; F511-F574 HydrophobicContact CZ-CD1 4.26Å; F511-F574 AromaticContact CZ-CD2 3.67Å; F511-F574 HydrophobicContact CZ-CD2 3.67Å; F511-F574 HydrophobicContact CZ-CE1 4.34Å; F511-F574 AromaticContact CZ-CE2 3.78Å; F511-F574 HydrophobicContact CZ-CE2 3.78Å; F511-F574 AromaticContact CZ-CG 3.93Å; F511-F574 HydrophobicContact CZ-CG 3.93Å; F511-F574 HydrophobicContact CZ-CZ 4.12Å; F511-I592 CarbonylContact C-O 3.54Å; F511-I592 VanDerWaalsContact CA-O 3.24Å; F511-I592 WeakPolarHBondContact CA-O 3.34Å; F511-I592 HydrophobicContact CD1-CB 3.74Å; F511-I592 HydrophobicContact CD1-CG2 3.76Å; F511-I592 HydrophobicContact CE1-CB 3.76Å; F511-I592 HydrophobicContact CE1-CD1 4.15Å; F511-I592 HydrophobicContact CE1-CG2 3.54Å; F511-I592 HydrophobicContact CE2-CD1 4.47Å; F511-I592 HydrophobicContact CG-CB 4.33Å; F511-I592 HydrophobicContact CZ-CB 4.34Å; F511-I592 HydrophobicContact CZ-CD1 3.94Å; F511-I592 HydrophobicContact CZ-CG2 4.4Å; F511-I594 HydrophobicContact CB-CD1 4.28Å; F511-I594 HydrophobicContact CB-CG1 4.45Å; F511-I594 HydrophobicContact CD1-CD1 3.86Å; F511-I594 HydrophobicContact CD1-CG1 4.08Å; F511-I594 HydrophobicContact CD1-CG2 3.7Å; F511-I594 HydrophobicContact CE1-CG2 3.96Å; F511-I594 HydrophobicContact CG-CD1 4.36Å
512	Y	89.4	Confident	76.1	Confident	13 Å²	13	65.6 Å²	65.6	5%	0.051	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	117.7	167.8	177.2	-93.8	0	0	0	108.5	K514 D550 F551 T554 I592 I593 I594	Y512-K514 HydrophobicContact CD1-CB 4.41Å; Y512-K514 HydrophobicContact CE1-CB 4.05Å; Y512-K514 HydrophobicContact CE1-CG 4.34Å; Y512-D550 PolarHBondContact OH-O 3.27Å; Y512-F551 AromaticContact CE1-CD1 3.79Å; Y512-F551 HydrophobicContact CE1-CD1 3.79Å; Y512-F551 HydrophobicContact CE1-CE1 4.24Å; Y512-F551 HydrophobicContact CE2-CB 4.4Å; Y512-F551 HydrophobicContact CE2-CD1 4.29Å; Y512-F551 WeakPolarHBondContact CE2-O 3.47Å; Y512-F551 AromaticContact CZ-CD1 3.68Å; Y512-T554 WeakPolarHBondContact CD2-OG1 3.47Å; Y512-T554 HydrophobicContact CE2-CG2 4.39Å; Y512-T554 WeakPolarHBondContact CE2-OG1 3.18Å; Y512-I592 PolarHBondContact N-O 2.97Å; Y512-I593 HydrophobicContact CD1-CG1 4.24Å; Y512-I593 HydrophobicContact CD1-CG2 4.5Å; Y512-I593 WeakPolarHBondContact O-CA 3.24Å; Y512-I594 PolarHBondContact O-N 3.38Å
513	I	84.8	Confident	73.2	Confident	52 Å²	52	66.3 Å²	66.3	27%	0.267	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	111.7	177.6	-56	-174	0	0	0	108.4	D515 I557 I594	I513-D515 PolarHBondContact O-N 3Å; I513-I557 HydrophobicContact CD1-CD1 3.59Å; I513-I557 HydrophobicContact CG1-CD1 4.4Å; I513-I594 WeakPolarHBondContact CA-O 3.25Å; I513-I594 HydrophobicContact CD1-CD1 4.42Å; I513-I594 HydrophobicContact CG1-CD1 3.99Å; I513-I594 HydrophobicContact CG1-CG1 3.96Å
514	K	80.2	Confident	70.1	Confident	34 Å²	34	68.2 Å²	68.2	15%	0.148	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	117.2	177.1	-164.2	170.4	-172.9	163.1	0	109.1	E40 Y512 N516 I593 I594 S596	E40-K514 VanDerWaalsContact CD-NZ 3.29Å; E40-K514 IonicContact OE1-NZ 3.61Å; E40-K514 PolarHBondContact OE1-NZ 2.91Å; E40-K514 IonicContact OE2-NZ 3.7Å; E40-K514 PolarHBondContact OE2-NZ 2.93Å; Y512-K514 HydrophobicContact CD1-CB 4.41Å; Y512-K514 HydrophobicContact CE1-CB 4.05Å; Y512-K514 HydrophobicContact CE1-CG 4.34Å; K514-N516 PolarHBondContact O-N 2.86Å; K514-I593 HydrophobicContact CB-CG2 4.13Å; K514-I593 HydrophobicContact CD-CG2 4.26Å; K514-I594 PolarHBondContact N-O 3.25Å; K514-S596 PolarHBondContact O-N 2.84Å
515	D	72.1	Confident	67.1	Low	84 Å²	84	68.5 Å²	68.5	45%	0.449	38%	0.375	S	S	.	.			trans	-75.4	115.9	178.4	-164.8	-7.3	0	0	0	110.8	I513 H517	I513-D515 PolarHBondContact O-N 3Å; D515-H517 PolarHBondContact O-N 2.91Å; D515-H517 WeakPolarHBondContact OD1-CB 3.18Å; D515-H517 IonicContact OD1-CD2 2.86Å; D515-H517 PolarHBondContact OD1-CD2 2.78Å; D515-H517 IonicContact OD1-CG 3.32Å; D515-H517 PolarHBondContact OD1-N 2.88Å; D515-H517 VanDerWaalsContact OD1-N 3.09Å
516	N	62.9	Low	63.9	Low	69 Å²	69	79.9 Å²	79.9	37%	0.369	42%	0.417	S	S	.	.	G	3₁₀ helix	trans	-72	-12.8	179.1	-80	-27.9	0	0	0	113	K514 N518 N519 S597	K514-N516 PolarHBondContact O-N 2.86Å; N516-N518 VanDerWaalsContact C-N 3.29Å; N516-N518 PolarHBondContact O-N 2.86Å; N516-N519 PolarHBondContact O-N 3.45Å; N516-S597 PolarHBondContact ND2-OG 3.17Å
517	H	53.8	Low	60.7	Low	127 Å²	127	92.1 Å²	92.1	59%	0.588	46%	0.463	S	S	*	.	G	3₁₀ helix	trans	-66	-23.8	-172.8	-81.6	-73.4	0	0	0	114.8	D515 N519 K520	D515-H517 PolarHBondContact O-N 2.91Å; D515-H517 WeakPolarHBondContact OD1-CB 3.18Å; D515-H517 IonicContact OD1-CD2 2.86Å; D515-H517 PolarHBondContact OD1-CD2 2.78Å; D515-H517 IonicContact OD1-CG 3.32Å; D515-H517 PolarHBondContact OD1-N 2.88Å; D515-H517 VanDerWaalsContact OD1-N 3.09Å; H517-N519 VanDerWaalsContact C-N 3.26Å; H517-N519 PolarHBondContact O-N 2.98Å; H517-K520 PolarHBondContact O-N 3.49Å
518	N	44.5	Very low	57.8	Low	105 Å²	105	95.2 Å²	95.2	56%	0.561	49%	0.485	S	S	*	.	G	3₁₀ helix	trans	-70.2	-19.5	179.4	-79	-16.6	0	0	0	113.9	N516 K520	N516-N518 VanDerWaalsContact C-N 3.29Å; N516-N518 PolarHBondContact O-N 2.86Å; N518-K520 VanDerWaalsContact C-N 3.3Å; N518-K520 PolarHBondContact O-N 3.36Å
519	N	41.7	Very low	54.7	Low	91 Å²	91	98.8 Å²	98.8	49%	0.487	51%	0.513	S	S	.	.	G	3₁₀ helix	trans	-76	-13.8	175.3	-79.3	-20.7	0	0	0	113.8	N516 H517	N516-N519 PolarHBondContact O-N 3.45Å; H517-N519 VanDerWaalsContact C-N 3.26Å; H517-N519 PolarHBondContact O-N 2.98Å
520	K	36.7	Very low	51.4	Low	154 Å²	154	103.9 Å²	103.9	67%	0.67	55%	0.549	S	S	*	.	G	3₁₀ helix	trans	-89.7	-17.8	-179.6	-79.9	-172	176.9	177.6	0	114.6	H517 N518 S522	H517-K520 PolarHBondContact O-N 3.49Å; N518-K520 VanDerWaalsContact C-N 3.3Å; N518-K520 PolarHBondContact O-N 3.36Å; K520-S522 VanDerWaalsContact C-N 3.29Å; K520-S522 PolarHBondContact O-N 3.21Å
521	K	36.5	Very low	48.4	Very low	174 Å²	174	107.2 Å²	107.2	76%	0.757	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.5	-12.5	-177.4	-80.3	-174.3	177.5	175.6	0	114.5
522	S	38.5	Very low	45.3	Very low	101 Å²	101	112.9 Å²	112.9	71%	0.706	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.4	-5.7	178.5	52.5	0	0	0	0	114.9	K520	K520-S522 VanDerWaalsContact C-N 3.29Å; K520-S522 PolarHBondContact O-N 3.21Å
523	S	35.7	Very low	42.5	Very low	97 Å²	97	118.6 Å²	118.6	68%	0.678	66%	0.655	S	S	*	*	S	Bend	trans	-110.6	-0.9	-177.6	53.4	0	0	0	0	115.4
524	S	31.3	Very low	39.7	Very low	100 Å²	100	122.1 Å²	122.1	70%	0.699	68%	0.684	S	S	*	*	S	Bend	trans	-106.8	51.7	178.9	66.3	0	0	0	0	113.4
525	S	31.3	Very low	37.2	Very low	100 Å²	100	125.4 Å²	125.4	70%	0.699	71%	0.712	S	S	*	*			trans	-154.4	67.3	164.8	69.2	0	0	0	0	111.7
526	R	29.5	Very low	35.1	Very low	246 Å²	246	127.1 Å²	127.1	93%	0.928	73%	0.73	S	S	*	*			trans	-164.9	77.3	159.9	-106.4	162.7	-166.4	-164.9	4.4	109.7
527	R	28.9	Very low	33.5	Very low	256 Å²	256	132 Å²	132	97%	0.966	76%	0.755	S	S	*	*			trans	-110.4	94	160.2	-99.5	-175.3	171.6	-179.8	-2.4	107.6
528	S	34.7	Very low	32.2	Very low	109 Å²	109	132 Å²	132	76%	0.762	76%	0.764	S	S	*	*			trans	-166.2	95	153.7	50.2	0	0	0	0	108.1
529	S	30.7	Very low	31.4	Very low	115 Å²	115	132.4 Å²	132.4	80%	0.804	78%	0.775	S	S	*	*			trans	-33.6	145.8	151	42.4	0	0	0	0	111.9
530	S	28.3	Very low	30.8	Very low	111 Å²	111	133 Å²	133	78%	0.776	79%	0.786	S	S	*	*			cis	-174.4	131.4	21.9	40.6	0	0	0	0	108.3
531	S	31.1	Very low	30.4	Very low	113 Å²	113	130.8 Å²	130.8	79%	0.79	79%	0.791	S	S	*	*			trans	-171	115.5	148.8	54.8	0	0	0	0	109.3
532	S	27.7	Very low	30	Very low	120 Å²	120	128.6 Å²	128.6	84%	0.839	79%	0.792	S	S	*	*			trans	-57.3	124.8	174.8	42.5	0	0	0	0	112.7
533	T	30.7	Very low	29.5	Very low	133 Å²	133	128.7 Å²	128.7	82%	0.816	79%	0.788	S	S	*	*			trans	-156.8	119.5	146.7	16.8	0	0	0	0	108.8	S535	T533-S535 PolarHBondContact O-N 3.09Å
534	S	25.8	Very low	29.3	Very low	125 Å²	125	127.8 Å²	127.8	87%	0.874	78%	0.779	S	S	*	*			trans	-66.4	115.1	177.9	46.8	0	0	0	0	110.9
535	S	29.7	Very low	29.6	Very low	104 Å²	104	130.1 Å²	130.1	73%	0.727	78%	0.782	S	S	*	*			trans	-147.4	134.7	154.9	56.9	0	0	0	0	110.1	T533 L537	T533-S535 PolarHBondContact O-N 3.09Å; S535-L537 PolarHBondContact O-N 3.48Å
536	S	26.2	Very low	30.1	Very low	119 Å²	119	128.3 Å²	128.3	83%	0.832	76%	0.761	S	S	*	*			trans	-50.8	111.5	-174.2	42.5	0	0	0	0	113.7
537	L	29.7	Very low	30.8	Very low	171 Å²	171	119.6 Å²	119.6	90%	0.895	73%	0.734	S	S	*	*			trans	-93.6	107.3	171.5	-78.5	155.6	0	0	0	109.5	S535	S535-L537 PolarHBondContact O-N 3.48Å
538	T	27	Very low	31.6	Very low	128 Å²	128	112.3 Å²	112.3	79%	0.785	71%	0.71	S	S	*	*			trans	-70	122	163.1	45.8	0	0	0	0	108.6	S540	T538-S540 VanDerWaalsContact C-N 3.34Å; T538-S540 PolarHBondContact O-N 3.37Å
539	S	27.8	Very low	32.2	Very low	113 Å²	113	113.5 Å²	113.5	79%	0.79	70%	0.704	S	S	*	*			trans	-71.4	85.7	178.3	46.2	0	0	0	0	110.6	S541	S539-S541 PolarHBondContact O-N 2.55Å
540	S	28.1	Very low	33.2	Very low	103 Å²	103	111.4 Å²	111.4	72%	0.72	68%	0.683	S	S	*	*			trans	-67.7	110.8	165.1	42.6	0	0	0	0	108.6	T538 T542	T538-S540 VanDerWaalsContact C-N 3.34Å; T538-S540 PolarHBondContact O-N 3.37Å; S540-T542 PolarHBondContact O-N 3.28Å
541	S	28.9	Very low	34.2	Very low	109 Å²	109	107.7 Å²	107.7	76%	0.762	65%	0.653	S	S	*	*			trans	-71.4	96	175.8	-55.9	0	0	0	0	108.6	S539 T543	S539-S541 PolarHBondContact O-N 2.55Å; S541-T543 PolarHBondContact O-N 2.85Å
542	T	27.5	Very low	35.1	Very low	128 Å²	128	107.2 Å²	107.2	79%	0.785	64%	0.64	S	S	*	*			trans	-62.4	101.9	175.3	-31.7	0	0	0	0	108.4	S540 T544	S540-T542 PolarHBondContact O-N 3.28Å; T542-T544 PolarHBondContact O-N 3.48Å; T542-T544 VanDerWaalsContact O-N 3.16Å
543	T	29.5	Very low	36.3	Very low	102 Å²	102	109.3 Å²	109.3	63%	0.626	64%	0.637	S	S	*	*			trans	-75.1	102.2	173.7	-55.8	0	0	0	0	106.7	S541 I545	S541-T543 PolarHBondContact O-N 2.85Å; T543-I545 PolarHBondContact O-N 3.03Å
544	T	30.5	Very low	38	Very low	78 Å²	78	105.6 Å²	105.6	48%	0.479	62%	0.615	S	S	.	*			trans	-57.3	112.3	172.3	-47.3	0	0	0	0	108.6	T542 Y546	T542-T544 PolarHBondContact O-N 3.48Å; T542-T544 VanDerWaalsContact O-N 3.16Å; T544-Y546 HydrophobicContact CG2-CE2 4.31Å; T544-Y546 WeakPolarHBondContact O-CD2 3.29Å; T544-Y546 PolarHBondContact O-N 3.44Å
545	I	37.7	Very low	40.6	Very low	150 Å²	150	105.6 Å²	105.6	77%	0.769	61%	0.609	S	S	*	*			trans	-81.9	99.4	175.5	-58.2	174.6	0	0	0	106.3	T543	T543-I545 PolarHBondContact O-N 3.03Å
546	Y	41.7	Very low	43.3	Very low	62 Å²	62	102 Å²	102	24%	0.243	58%	0.583	C	S	.	*			trans	-69.6	131.1	173.5	-67.8	-86.4	0	0	0	109.5	T544 D550 F551	T544-Y546 HydrophobicContact CG2-CE2 4.31Å; T544-Y546 WeakPolarHBondContact O-CD2 3.29Å; T544-Y546 PolarHBondContact O-N 3.44Å; Y546-D550 WeakPolarHBondContact CA-OD2 3.46Å; Y546-D550 HydrophobicContact CD1-CB 4.17Å; Y546-F551 VanDerWaalsContact CB-CZ 3.42Å; Y546-F551 HydrophobicContact CD2-CZ 4.37Å; Y546-F551 HydrophobicContact CG-CE2 4.29Å; Y546-F551 AromaticContact CG-CZ 3.96Å; Y546-F551 HydrophobicContact CG-CZ 3.96Å
547	T	44	Very low	46.4	Very low	62 Å²	62	99.1 Å²	99.1	38%	0.38	56%	0.558	S	S	.	*			trans	-82.2	165.1	178.1	66.9	0	0	0	0	110.7	E549 D550 F551	T547-E549 PolarHBondContact O-N 3.46Å; T547-E549 VanDerWaalsContact O-N 3.1Å; T547-E549 PolarHBondContact OG1-OE2 2.89Å; T547-D550 PolarHBondContact N-OD2 3.15Å; T547-D550 VanDerWaalsContact N-OD2 3.09Å; T547-D550 PolarHBondContact O-N 3.18Å; T547-D550 VanDerWaalsContact O-N 3.15Å; T547-F551 VanDerWaalsContact O-CD2 3.29Å; T547-F551 WeakPolarHBondContact O-CD2 3.4Å
548	K	45.8	Very low	49.5	Very low	103 Å²	103	91.4 Å²	91.4	45%	0.448	52%	0.519	S	S	.	.	H	α-helix	trans	-50.2	-34	173.4	-176.8	178.6	-179	175.8	0	111.3	D342 I552	D342-K548 IonicContact OD1-NZ 2.73Å; D342-K548 PolarHBondContact OD1-NZ 3.01Å; K548-I552 HydrophobicContact CD-CD1 4.29Å; K548-I552 HydrophobicContact CG-CD1 3.67Å; K548-I552 WeakPolarHBondContact O-CD1 3.34Å; K548-I552 VanDerWaalsContact O-CG1 3.29Å; K548-I552 WeakPolarHBondContact O-CG1 3.48Å; K548-I552 PolarHBondContact O-N 3.16Å
549	E	48.7	Very low	52.8	Low	135 Å²	135	85.3 Å²	85.3	63%	0.631	48%	0.481	S	S	*	.	H	α-helix	trans	-70.2	-37.8	-177.4	-65.3	140.7	168.4	0	0	112.8	T547 F551 I552	T547-E549 PolarHBondContact O-N 3.46Å; T547-E549 VanDerWaalsContact O-N 3.1Å; T547-E549 PolarHBondContact OG1-OE2 2.89Å; E549-F551 PolarHBondContact O-N 3.16Å; E549-I552 PolarHBondContact O-N 3.43Å
550	D	49.9	Very low	56	Low	70 Å²	70	84.9 Å²	84.9	37%	0.374	46%	0.463	S	S	.	.	H	α-helix	trans	-61.9	-33.6	-179.8	-67	-34	0	0	0	112.1	Y512 Y546 T547	Y512-D550 PolarHBondContact OH-O 3.27Å; Y546-D550 WeakPolarHBondContact CA-OD2 3.46Å; Y546-D550 HydrophobicContact CD1-CB 4.17Å; T547-D550 PolarHBondContact N-OD2 3.15Å; T547-D550 VanDerWaalsContact N-OD2 3.09Å; T547-D550 PolarHBondContact O-N 3.18Å; T547-D550 VanDerWaalsContact O-N 3.15Å
551	F	50.4	Low	59.1	Low	33 Å²	33	84.7 Å²	84.7	15%	0.145	45%	0.454	C	S	.	.	H	α-helix	trans	-85	-23.7	-178.3	-64.7	-74.9	0	0	0	114.1	L9 Y512 Y546 T547 E549	L9-F551 HydrophobicContact CD1-CB 4.25Å; L9-F551 HydrophobicContact CD1-CD1 3.33Å; L9-F551 HydrophobicContact CD1-CD2 4.43Å; L9-F551 HydrophobicContact CD1-CE1 3.65Å; L9-F551 HydrophobicContact CD1-CG 3.77Å; L9-F551 HydrophobicContact CD1-CZ 4.32Å; Y512-F551 AromaticContact CE1-CD1 3.79Å; Y512-F551 HydrophobicContact CE1-CD1 3.79Å; Y512-F551 HydrophobicContact CE1-CE1 4.24Å; Y512-F551 HydrophobicContact CE2-CB 4.4Å; Y512-F551 HydrophobicContact CE2-CD1 4.29Å; Y512-F551 WeakPolarHBondContact CE2-O 3.47Å; Y512-F551 AromaticContact CZ-CD1 3.68Å; Y546-F551 VanDerWaalsContact CB-CZ 3.42Å; Y546-F551 HydrophobicContact CD2-CZ 4.37Å; Y546-F551 HydrophobicContact CG-CE2 4.29Å; Y546-F551 AromaticContact CG-CZ 3.96Å; Y546-F551 HydrophobicContact CG-CZ 3.96Å; T547-F551 VanDerWaalsContact O-CD2 3.29Å; T547-F551 WeakPolarHBondContact O-CD2 3.4Å; E549-F551 PolarHBondContact O-N 3.16Å
552	I	49.8	Very low	62.1	Low	103 Å²	103	80.2 Å²	80.2	53%	0.528	42%	0.421	S	S	.	.	H	α-helix	trans	-79.4	-21.1	-174.9	-71.7	171.1	0	0	0	111.9	K548 E549 T554	K548-I552 HydrophobicContact CD-CD1 4.29Å; K548-I552 HydrophobicContact CG-CD1 3.67Å; K548-I552 WeakPolarHBondContact O-CD1 3.34Å; K548-I552 VanDerWaalsContact O-CG1 3.29Å; K548-I552 WeakPolarHBondContact O-CG1 3.48Å; K548-I552 PolarHBondContact O-N 3.16Å; E549-I552 PolarHBondContact O-N 3.43Å; I552-T554 PolarHBondContact O-N 2.71Å
553	Q	52.7	Low	65.2	Low	164 Å²	164	77 Å²	77	77%	0.766	40%	0.395	S	S	*	.	S	Bend	trans	-75.3	-19.2	-170.7	-72.2	-176.1	1.7	0	0	115.1
554	T	66.4	Low	68	Low	56 Å²	56	77 Å²	77	34%	0.344	40%	0.398	S	S	.	.	S	Bend	trans	-94.9	129.7	178	70.9	0	0	0	0	110.9	Y512 I552 P556	Y512-T554 WeakPolarHBondContact CD2-OG1 3.47Å; Y512-T554 HydrophobicContact CE2-CG2 4.39Å; Y512-T554 WeakPolarHBondContact CE2-OG1 3.18Å; I552-T554 PolarHBondContact O-N 2.71Å; T554-P556 WeakPolarHBondContact O-CD 3.49Å
555	T	79.7	Confident	70.8	Confident	125 Å²	125	82.1 Å²	82.1	77%	0.767	41%	0.41	S	S	*	.	P	Polyproline II helix	trans	-70.7	122.9	174.6	-54.8	0	0	0	0	108.4
556	P	87.2	Confident	73.1	Confident	28 Å²	28	76.6 Å²	76.6	18%	0.182	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-65.5	143	-177.9	22.6	-29.6	0	0	0	111.2	L3 Y510 F511 T554	L3-P556 HydrophobicContact CD2-CG 3.36Å; Y510-P556 HydrophobicContact CD1-CB 4.27Å; F511-P556 WeakPolarHBondContact O-CA 3.34Å; T554-P556 WeakPolarHBondContact O-CD 3.49Å
557	I	91.7	Very high	75.3	Confident	58 Å²	58	78.7 Å²	78.7	30%	0.297	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	135.4	-176.6	-49.9	-174.6	0	0	0	109.1	Y510 F511 I513 N561 L562	Y510-I557 CarbonylContact C-O 3.55Å; F511-I557 PolarHBondContact N-O 3Å; F511-I557 PolarHBondContact O-N 2.92Å; I513-I557 HydrophobicContact CD1-CD1 3.59Å; I513-I557 HydrophobicContact CG1-CD1 4.4Å; I557-N561 HydrophobicContact CG2-CB 3.88Å; I557-L562 HydrophobicContact CB-CD1 4.15Å; I557-L562 HydrophobicContact CB-CG 4.29Å; I557-L562 HydrophobicContact CG2-CD1 4.11Å; I557-L562 HydrophobicContact CG2-CD2 4.08Å; I557-L562 HydrophobicContact CG2-CG 3.7Å
558	S	95.1	Very high	77.5	Confident	10 Å²	10	84 Å²	84	7%	0.07	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	154.6	177.6	66	0	0	0	0	112.4	S507 I509 Y560 N561 L562	S507-S558 WeakPolarHBondContact O-CB 3.36Å; I509-S558 CarbonylContact O-C 3.59Å; I509-S558 VanDerWaalsContact O-CA 3.3Å; I509-S558 WeakPolarHBondContact O-CA 3.24Å; S558-Y560 PolarHBondContact O-N 3.04Å; S558-N561 PolarHBondContact O-N 3.22Å; S558-N561 PolarHBondContact OG-N 3.31Å; S558-N561 PolarHBondContact OG-ND2 3.31Å; S558-L562 PolarHBondContact O-N 3.42Å
559	L	95.8	Very high	79.5	Confident	0 Å²	0	86.5 Å²	86.5	0%	0	43%	0.428	C	S	.	.	H	α-helix	trans	-55.3	-40.7	171.8	-177	51.1	0	0	0	110.5	D506 I509 F511 N561 L562 R563 L566 I571 F574 R575	D506-L559 HydrophobicContact CB-CB 3.97Å; D506-L559 HydrophobicContact CB-CD2 4.25Å; D506-L559 HydrophobicContact CB-CG 4.08Å; D506-L559 VanDerWaalsContact O-CB 3.31Å; D506-L559 WeakPolarHBondContact O-CB 3.45Å; D506-L559 PolarHBondContact O-N 3.31Å; D506-L559 VanDerWaalsContact O-N 3.1Å; I509-L559 HydrophobicContact CB-CB 3.92Å; I509-L559 HydrophobicContact CB-CD2 4.31Å; I509-L559 HydrophobicContact CD1-CD2 3.85Å; I509-L559 HydrophobicContact CG2-CB 4.16Å; I509-L559 HydrophobicContact CG2-CD2 4.27Å; I509-L559 PolarHBondContact O-N 2.75Å; F511-L559 HydrophobicContact CE2-CB 3.78Å; F511-L559 HydrophobicContact CE2-CD1 3.76Å; F511-L559 HydrophobicContact CE2-CG 4.27Å; F511-L559 HydrophobicContact CZ-CD1 3.96Å; L559-N561 VanDerWaalsContact C-N 3.29Å; L559-N561 PolarHBondContact O-N 3.04Å; L559-L562 CarbonylContact O-C 3.49Å; L559-L562 PolarHBondContact O-N 3.41Å; L559-R563 VanDerWaalsContact O-CG 3.31Å; L559-R563 WeakPolarHBondContact O-CG 3.48Å; L559-R563 PolarHBondContact O-N 2.92Å; L559-L566 HydrophobicContact CD1-CD1 3.5Å; L559-L566 VanDerWaalsContact CD1-CD1 3.5Å; L559-I571 HydrophobicContact CD1-CG1 4.45Å; L559-I571 HydrophobicContact CD2-CG2 4.31Å; L559-F574 HydrophobicContact CD1-CD2 4.18Å; L559-F574 HydrophobicContact CD2-CB 4.15Å; L559-R575 HydrophobicContact CD2-CG 4.39Å
560	Y	95.7	Very high	81.4	Confident	104 Å²	104	81.2 Å²	81.2	41%	0.408	41%	0.408	S	S	.	.	H	α-helix	trans	-52.1	-47.7	178.8	-177.6	-93.4	0	0	0	111.8	D503 D506 S558 L562	D503-Y560 HydrophobicContact CB-CD2 3.97Å; D503-Y560 HydrophobicContact CB-CE2 3.74Å; D506-Y560 PolarHBondContact O-N 3.5Å; S558-Y560 PolarHBondContact O-N 3.04Å; Y560-L562 VanDerWaalsContact C-N 3.32Å; Y560-L562 PolarHBondContact O-N 3.25Å
561	N	93.3	Very high	83.4	Confident	98 Å²	98	78.7 Å²	78.7	52%	0.524	39%	0.394	S	S	.	.	H	α-helix	trans	-73.9	-22.2	178.7	-68.6	-24.7	0	0	0	113.2	I557 S558 L559	I557-N561 HydrophobicContact CG2-CB 3.88Å; S558-N561 PolarHBondContact O-N 3.22Å; S558-N561 PolarHBondContact OG-N 3.31Å; S558-N561 PolarHBondContact OG-ND2 3.31Å; L559-N561 VanDerWaalsContact C-N 3.29Å; L559-N561 PolarHBondContact O-N 3.04Å
562	L	91.6	Very high	85.4	Confident	15 Å²	15	80.3 Å²	80.3	8%	0.079	41%	0.408	C	S	.	.	H	α-helix	trans	-93.8	-8.4	179.9	-72.6	175.6	0	0	0	114.6	F511 I557 S558 L559 Y560 S564 Y565 L566 I594	F511-L562 HydrophobicContact CB-CD1 3.63Å; F511-L562 HydrophobicContact CD1-CD1 4.27Å; F511-L562 HydrophobicContact CD2-CD1 3.76Å; F511-L562 HydrophobicContact CG-CD1 3.61Å; I557-L562 HydrophobicContact CB-CD1 4.15Å; I557-L562 HydrophobicContact CB-CG 4.29Å; I557-L562 HydrophobicContact CG2-CD1 4.11Å; I557-L562 HydrophobicContact CG2-CD2 4.08Å; I557-L562 HydrophobicContact CG2-CG 3.7Å; S558-L562 PolarHBondContact O-N 3.42Å; L559-L562 CarbonylContact O-C 3.49Å; L559-L562 PolarHBondContact O-N 3.41Å; Y560-L562 VanDerWaalsContact C-N 3.32Å; Y560-L562 PolarHBondContact O-N 3.25Å; L562-S564 VanDerWaalsContact C-N 3.25Å; L562-S564 PolarHBondContact O-N 3.2Å; L562-S564 VanDerWaalsContact O-N 3.12Å; L562-Y565 HydrophobicContact CD2-CD2 4.45Å; L562-Y565 PolarHBondContact O-N 2.94Å; L562-L566 HydrophobicContact CB-CD1 3.79Å; L562-L566 HydrophobicContact CB-CG 4.15Å; L562-L566 WeakPolarHBondContact O-CG 3.44Å; L562-L566 PolarHBondContact O-N 3.42Å; L562-L566 VanDerWaalsContact O-N 3.13Å; L562-I594 HydrophobicContact CD1-CD1 3.97Å
563	R	91.4	Very high	87.4	Confident	62 Å²	62	78.4 Å²	78.4	23%	0.234	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-41.3	-173.9	-74.8	179	177.9	173.5	-3.3	113.8	I502 D503 D506 L559 Y565 I571	I502-R563 PolarHBondContact O-NH2 2.81Å; I502-R563 VanDerWaalsContact O-NH2 3.14Å; D503-R563 IonicContact OD1-CZ 3.07Å; D503-R563 IonicContact OD1-NH1 2.69Å; D503-R563 PolarHBondContact OD1-NH1 3.43Å; D503-R563 IonicContact OD1-NH2 3.93Å; D503-R563 PolarHBondContact OD1-NH2 3Å; D506-R563 VanDerWaalsContact CG-NH2 3.27Å; D506-R563 IonicContact OD2-CZ 3.07Å; D506-R563 IonicContact OD2-NE 3.09Å; D506-R563 PolarHBondContact OD2-NE 3.32Å; D506-R563 IonicContact OD2-NH2 3.97Å; D506-R563 PolarHBondContact OD2-NH2 3.1Å; L559-R563 VanDerWaalsContact O-CG 3.31Å; L559-R563 WeakPolarHBondContact O-CG 3.48Å; L559-R563 PolarHBondContact O-N 2.92Å; R563-Y565 PolarHBondContact O-N 2.96Å; R563-I571 HydrophobicContact CB-CD1 4.42Å; R563-I571 HydrophobicContact CG-CD1 4.39Å
564	S	90.1	Very high	89.4	Confident	100 Å²	100	71.7 Å²	71.7	70%	0.699	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-18	-179	48.7	0	0	0	0	113.7	L562	L562-S564 VanDerWaalsContact C-N 3.25Å; L562-S564 PolarHBondContact O-N 3.2Å; L562-S564 VanDerWaalsContact O-N 3.12Å
565	Y	87.8	Confident	90.8	Very high	186 Å²	186	71.3 Å²	71.3	73%	0.729	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.3	-19.4	-175.6	-56.4	-83.5	0	0	0	112.8	L562 R563	L562-Y565 HydrophobicContact CD2-CD2 4.45Å; L562-Y565 PolarHBondContact O-N 2.94Å; R563-Y565 PolarHBondContact O-N 2.96Å
566	L	87.4	Confident	91.4	Very high	35 Å²	35	68.9 Å²	68.9	18%	0.183	34%	0.339	C	S	.	.	S	Bend	trans	-91.4	151.7	-177.5	-67.1	171.4	0	0	0	112.2	F511 L559 L562 K568 I571 F574	F511-L566 HydrophobicContact CE1-CD1 4.45Å; F511-L566 HydrophobicContact CZ-CD1 4.15Å; L559-L566 HydrophobicContact CD1-CD1 3.5Å; L559-L566 VanDerWaalsContact CD1-CD1 3.5Å; L562-L566 HydrophobicContact CB-CD1 3.79Å; L562-L566 HydrophobicContact CB-CG 4.15Å; L562-L566 WeakPolarHBondContact O-CG 3.44Å; L562-L566 PolarHBondContact O-N 3.42Å; L562-L566 VanDerWaalsContact O-N 3.13Å; L566-K568 PolarHBondContact O-N 3.21Å; L566-I571 HydrophobicContact CB-CG1 4.49Å; L566-F574 HydrophobicContact CD1-CE2 4.08Å
567	N	87.7	Confident	91.7	Very high	105 Å²	105	67.8 Å²	67.8	56%	0.561	33%	0.331	S	S	*	.			trans	-58.9	125.7	168.7	-176.5	-23.3	0	0	0	109.7	H569 A570	N567-H569 PolarHBondContact O-N 3.36Å; N567-H569 WeakPolarHBondContact OD1-CB 3.27Å; N567-H569 PolarHBondContact OD1-CD2 3.15Å; N567-H569 VanDerWaalsContact OD1-CD2 3.3Å; N567-H569 PolarHBondContact OD1-N 2.74Å; N567-A570 HydrophobicContact CB-CB 4.47Å; N567-A570 WeakPolarHBondContact O-CB 3.37Å; N567-A570 PolarHBondContact O-N 3.3Å
568	K	89.3	Confident	91.9	Very high	175 Å²	175	65.1 Å²	65.1	76%	0.761	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-28	-179.7	-65.7	-176.4	-179.9	179.2	0	113.2	L566 A570 P572	L566-K568 PolarHBondContact O-N 3.21Å; K568-A570 VanDerWaalsContact C-N 3.35Å; K568-P572 VanDerWaalsContact O-CD 3.24Å; K568-P572 WeakPolarHBondContact O-CD 3.2Å
569	H	88.2	Confident	91.9	Very high	154 Å²	154	68.1 Å²	68.1	71%	0.713	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-20.9	176.6	-62.7	-69.8	0	0	0	113.8	N567	N567-H569 PolarHBondContact O-N 3.36Å; N567-H569 WeakPolarHBondContact OD1-CB 3.27Å; N567-H569 PolarHBondContact OD1-CD2 3.15Å; N567-H569 VanDerWaalsContact OD1-CD2 3.3Å; N567-H569 PolarHBondContact OD1-N 2.74Å
570	A	88.2	Confident	91.9	Very high	25 Å²	25	69.2 Å²	69.2	21%	0.207	34%	0.335	C	S	.	.	H	α-helix	trans	-82.2	-29	178.4	0	0	0	0	0	112.6	N567 K568 I573 F574	N567-A570 HydrophobicContact CB-CB 4.47Å; N567-A570 WeakPolarHBondContact O-CB 3.37Å; N567-A570 PolarHBondContact O-N 3.3Å; K568-A570 VanDerWaalsContact C-N 3.35Å; A570-I573 WeakPolarHBondContact O-CB 3.35Å; A570-I573 PolarHBondContact O-N 3.42Å; A570-F574 HydrophobicContact CB-CD2 4.37Å; A570-F574 HydrophobicContact CB-CE2 3.68Å; A570-F574 HydrophobicContact CB-CZ 4.05Å; A570-F574 VanDerWaalsContact O-CD2 3.23Å; A570-F574 WeakPolarHBondContact O-CD2 3.33Å; A570-F574 WeakPolarHBondContact O-CG 3.48Å; A570-F574 PolarHBondContact O-N 3.3Å; A570-F574 VanDerWaalsContact O-N 3.07Å
571	I	92.7	Very high	91.9	Very high	17 Å²	17	64.6 Å²	64.6	9%	0.087	32%	0.318	C	S	.	.	H	α-helix	trans	-56.9	-48.2	-176.9	-60.7	174.1	0	0	0	112.3	L559 R563 L566 I573 F574 R575	L559-I571 HydrophobicContact CD1-CG1 4.45Å; L559-I571 HydrophobicContact CD2-CG2 4.31Å; R563-I571 HydrophobicContact CB-CD1 4.42Å; R563-I571 HydrophobicContact CG-CD1 4.39Å; L566-I571 HydrophobicContact CB-CG1 4.49Å; I571-I573 VanDerWaalsContact C-N 3.27Å; I571-I573 PolarHBondContact O-N 3.03Å; I571-F574 PolarHBondContact O-N 3.1Å; I571-R575 PolarHBondContact O-N 3.44Å; I571-R575 VanDerWaalsContact O-N 3.13Å
572	P	92.6	Very high	92	Very high	67 Å²	67	59.9 Å²	59.9	44%	0.435	29%	0.293	S	S	.	.	H	α-helix	trans	-60.2	-36.4	175.8	-24.2	34.8	0	0	0	113.1	K568 R575 E576	K568-P572 VanDerWaalsContact O-CD 3.24Å; K568-P572 WeakPolarHBondContact O-CD 3.2Å; P572-R575 PolarHBondContact O-N 3.32Å; P572-E576 WeakPolarHBondContact O-CG 3.45Å; P572-E576 PolarHBondContact O-N 3.08Å
573	I	91.3	Very high	92.2	Very high	63 Å²	63	63.6 Å²	63.6	32%	0.323	31%	0.308	S	S	.	.	H	α-helix	trans	-61.9	-46.8	178.1	-63.4	174.1	0	0	0	109.7	W35 A570 I571 R575 E576 W577	W35-I573 HydrophobicContact CZ3-CG2 4.2Å; A570-I573 WeakPolarHBondContact O-CB 3.35Å; A570-I573 PolarHBondContact O-N 3.42Å; I571-I573 VanDerWaalsContact C-N 3.27Å; I571-I573 PolarHBondContact O-N 3.03Å; I573-R575 VanDerWaalsContact C-N 3.34Å; I573-R575 PolarHBondContact O-N 3.13Å; I573-E576 PolarHBondContact O-N 3.02Å; I573-W577 WeakPolarHBondContact O-CB 3.2Å; I573-W577 VanDerWaalsContact O-CD1 3.23Å; I573-W577 PolarHBondContact O-N 3.5Å
574	F	94.4	Very high	92.4	Very high	22 Å²	22	63.8 Å²	63.8	10%	0.096	31%	0.309	C	S	.	.	H	α-helix	trans	-62.8	-38.8	178.2	-59.1	-45.7	0	0	0	112.8	P12 F511 L559 L566 A570 I571 W577 A578 I592	P12-F574 HydrophobicContact CG-CD1 3.91Å; P12-F574 HydrophobicContact CG-CE1 3.7Å; F511-F574 HydrophobicContact CE1-CD2 4.29Å; F511-F574 HydrophobicContact CE1-CE1 4.17Å; F511-F574 AromaticContact CE1-CE2 3.96Å; F511-F574 HydrophobicContact CE1-CE2 3.96Å; F511-F574 AromaticContact CE1-CZ 3.89Å; F511-F574 HydrophobicContact CE1-CZ 3.89Å; F511-F574 HydrophobicContact CZ-CD1 4.26Å; F511-F574 AromaticContact CZ-CD2 3.67Å; F511-F574 HydrophobicContact CZ-CD2 3.67Å; F511-F574 HydrophobicContact CZ-CE1 4.34Å; F511-F574 AromaticContact CZ-CE2 3.78Å; F511-F574 HydrophobicContact CZ-CE2 3.78Å; F511-F574 AromaticContact CZ-CG 3.93Å; F511-F574 HydrophobicContact CZ-CG 3.93Å; F511-F574 HydrophobicContact CZ-CZ 4.12Å; L559-F574 HydrophobicContact CD1-CD2 4.18Å; L559-F574 HydrophobicContact CD2-CB 4.15Å; L566-F574 HydrophobicContact CD1-CE2 4.08Å; A570-F574 HydrophobicContact CB-CD2 4.37Å; A570-F574 HydrophobicContact CB-CE2 3.68Å; A570-F574 HydrophobicContact CB-CZ 4.05Å; A570-F574 VanDerWaalsContact O-CD2 3.23Å; A570-F574 WeakPolarHBondContact O-CD2 3.33Å; A570-F574 WeakPolarHBondContact O-CG 3.48Å; A570-F574 PolarHBondContact O-N 3.3Å; A570-F574 VanDerWaalsContact O-N 3.07Å; I571-F574 PolarHBondContact O-N 3.1Å; F574-W577 WeakPolarHBondContact O-CB 3.49Å; F574-W577 PolarHBondContact O-N 2.74Å; F574-A578 PolarHBondContact O-N 3.29Å; F574-I592 HydrophobicContact CB-CD1 4.25Å; F574-I592 HydrophobicContact CD1-CD1 3.62Å; F574-I592 HydrophobicContact CE1-CD1 4.24Å; F574-I592 HydrophobicContact CE1-CG2 4.1Å; F574-I592 HydrophobicContact CG-CD1 4.13Å
575	R	95.1	Very high	92.6	Very high	49 Å²	49	59.3 Å²	59.3	19%	0.185	28%	0.277	C	S	.	.	H	α-helix	trans	-65.6	-42.6	175.9	-68.9	174	-179.7	158.3	-2.2	112.2	L505 D506 I509 L559 I571 P572 I573 A578 K579	L505-R575 HydrophobicContact CD2-CB 4.29Å; L505-R575 HydrophobicContact CD2-CG 4.13Å; D506-R575 IonicContact OD1-CZ 3.51Å; D506-R575 IonicContact OD1-NE 3.06Å; D506-R575 PolarHBondContact OD1-NE 3.25Å; D506-R575 IonicContact OD1-NH2 3.25Å; D506-R575 IonicContact OD2-CZ 3.37Å; D506-R575 IonicContact OD2-NE 3.53Å; D506-R575 PolarHBondContact OD2-NE 3.07Å; D506-R575 IonicContact OD2-NH2 2.67Å; D506-R575 PolarHBondContact OD2-NH2 2.95Å; I509-R575 HydrophobicContact CD1-CG 4.22Å; L559-R575 HydrophobicContact CD2-CG 4.39Å; I571-R575 PolarHBondContact O-N 3.44Å; I571-R575 VanDerWaalsContact O-N 3.13Å; P572-R575 PolarHBondContact O-N 3.32Å; I573-R575 VanDerWaalsContact C-N 3.34Å; I573-R575 PolarHBondContact O-N 3.13Å; R575-A578 WeakPolarHBondContact O-CB 3.45Å; R575-A578 PolarHBondContact O-N 2.96Å; R575-K579 WeakPolarHBondContact O-CG 3.5Å; R575-K579 PolarHBondContact O-N 3.32Å
576	E	93.7	Very high	92.9	Very high	74 Å²	74	51.9 Å²	51.9	35%	0.346	25%	0.25	S	C	.	.	H	α-helix	trans	-67.1	-38.5	176.3	-72.5	-54.1	128	0	0	112	W35 P572 I573 A578 K579 L580	W35-E576 HydrophobicContact CH2-CB 3.76Å; W35-E576 HydrophobicContact CZ2-CB 4.14Å; P572-E576 WeakPolarHBondContact O-CG 3.45Å; P572-E576 PolarHBondContact O-N 3.08Å; I573-E576 PolarHBondContact O-N 3.02Å; E576-A578 VanDerWaalsContact C-N 3.3Å; E576-A578 PolarHBondContact O-N 3.42Å; E576-K579 PolarHBondContact O-N 3.2Å; E576-K579 IonicContact OE1-NZ 3.71Å; E576-K579 PolarHBondContact OE1-NZ 3.18Å; E576-L580 WeakPolarHBondContact O-CG 3.35Å; E576-L580 PolarHBondContact O-N 3.4Å
577	W	93.7	Very high	93.1	Very high	5 Å²	5	51.5 Å²	51.5	2%	0.019	25%	0.25	C	C	.	.	H	α-helix	trans	-56.4	-44.7	168.9	-92.3	102.1	0	0	0	112.4	P12 W35 G36 M37 W55 I573 F574 K579 L580 L581	P12-W577 VanDerWaalsContact CB-CD1 3.48Å; P12-W577 HydrophobicContact CB-CD2 3.91Å; P12-W577 HydrophobicContact CB-CG 3.88Å; P12-W577 HydrophobicContact CB-CZ2 4.21Å; P12-W577 VanDerWaalsContact CB-NE1 3.25Å; W35-W577 HydrophobicContact CB-CH2 4.37Å; W35-W577 HydrophobicContact CB-CZ2 4.16Å; W35-W577 AromaticContact CE3-CD1 3.91Å; W35-W577 HydrophobicContact CE3-CD2 4.35Å; W35-W577 AromaticContact CE3-CE2 3.65Å; W35-W577 HydrophobicContact CE3-CG 4.48Å; W35-W577 HydrophobicContact CE3-CZ2 4.01Å; W35-W577 AromaticContact CE3-NE1 3.35Å; W35-W577 VanDerWaalsContact CE3-NE1 3.35Å; W35-W577 AromaticContact CZ3-CD1 3.62Å; W35-W577 HydrophobicContact CZ3-CG 4.41Å; W35-W577 AromaticContact CZ3-NE1 3.45Å; G36-W577 VanDerWaalsContact C-CZ2 3.43Å; G36-W577 WeakPolarHBondContact O-CZ2 3.31Å; M37-W577 HydrophobicContact CB-CH2 3.48Å; M37-W577 VanDerWaalsContact CB-CH2 3.48Å; M37-W577 HydrophobicContact CB-CZ2 3.88Å; M37-W577 HydrophobicContact CB-CZ3 4.1Å; M37-W577 HydrophobicContact CE-CE3 4.23Å; M37-W577 HydrophobicContact CE-CH2 3.95Å; M37-W577 HydrophobicContact CE-CZ3 3.31Å; M37-W577 HydrophobicContact CG-CH2 3.49Å; M37-W577 VanDerWaalsContact CG-CH2 3.49Å; M37-W577 HydrophobicContact CG-CZ2 4.38Å; M37-W577 HydrophobicContact CG-CZ3 3.78Å; M37-W577 HydrophobicContact SD-CE3 3.91Å; M37-W577 HydrophobicContact SD-CH2 3.61Å; M37-W577 HydrophobicContact SD-CZ3 3.21Å; M37-W577 WeakPolarHBondContact SD-CZ3 3.49Å; W55-W577 HydrophobicContact CE3-CZ3 4.46Å; W55-W577 AromaticContact CH2-CE3 3.89Å; W55-W577 HydrophobicContact CH2-CE3 3.89Å; W55-W577 AromaticContact CH2-CH2 3.03Å; W55-W577 HydrophobicContact CH2-CH2 3.03Å; W55-W577 HydrophobicContact CH2-CZ2 4.02Å; W55-W577 AromaticContact CH2-CZ3 2.92Å; W55-W577 HydrophobicContact CH2-CZ3 2.92Å; W55-W577 HydrophobicContact CZ2-CE3 4.09Å; W55-W577 HydrophobicContact CZ2-CH2 4.01Å; W55-W577 AromaticContact CZ2-CZ3 3.43Å; W55-W577 HydrophobicContact CZ2-CZ3 3.43Å; W55-W577 VanDerWaalsContact CZ2-CZ3 3.43Å; W55-W577 AromaticContact CZ3-CH2 3.33Å; W55-W577 HydrophobicContact CZ3-CH2 3.33Å; W55-W577 HydrophobicContact CZ3-CZ2 4.47Å; W55-W577 AromaticContact CZ3-CZ3 3.5Å; W55-W577 HydrophobicContact CZ3-CZ3 3.5Å; I573-W577 WeakPolarHBondContact O-CB 3.2Å; I573-W577 VanDerWaalsContact O-CD1 3.23Å; I573-W577 PolarHBondContact O-N 3.5Å; F574-W577 WeakPolarHBondContact O-CB 3.49Å; F574-W577 PolarHBondContact O-N 2.74Å; W577-K579 VanDerWaalsContact C-N 3.33Å; W577-K579 PolarHBondContact O-N 3.12Å; W577-L580 PolarHBondContact O-N 3.42Å; W577-L581 HydrophobicContact CE3-CD1 4.27Å; W577-L581 HydrophobicContact CE3-CG 4.42Å; W577-L581 WeakPolarHBondContact O-CB 3.5Å; W577-L581 WeakPolarHBondContact O-CG 3.34Å; W577-L581 PolarHBondContact O-N 3.42Å
578	A	95.9	Very high	93.4	Very high	2 Å²	2	46.5 Å²	46.5	2%	0.017	22%	0.223	C	C	.	.	H	α-helix	trans	-59.3	-44.6	177.5	0	0	0	0	0	111.6	I496 L505 I509 F574 R575 E576 L581 G582 V585	I496-A578 HydrophobicContact CD1-CB 4.14Å; I496-A578 WeakPolarHBondContact CD1-O 3.39Å; L505-A578 HydrophobicContact CD1-CB 4.38Å; I509-A578 HydrophobicContact CD1-CB 3.68Å; I509-A578 HydrophobicContact CG1-CB 3.85Å; F574-A578 PolarHBondContact O-N 3.29Å; R575-A578 WeakPolarHBondContact O-CB 3.45Å; R575-A578 PolarHBondContact O-N 2.96Å; E576-A578 VanDerWaalsContact C-N 3.3Å; E576-A578 PolarHBondContact O-N 3.42Å; A578-L581 CarbonylContact O-C 3.57Å; A578-L581 PolarHBondContact O-N 3.03Å; A578-G582 PolarHBondContact O-N 3.41Å; A578-V585 HydrophobicContact CB-CB 4.44Å; A578-V585 HydrophobicContact CB-CG1 3.87Å
579	K	95.1	Very high	93.7	Very high	72 Å²	72	40.3 Å²	40.3	31%	0.313	20%	0.197	S	C	.	.	H	α-helix	trans	-64.2	-42	176.9	-68.6	177.7	-175.2	171	0	113	R575 E576 W577 L581 G582	R575-K579 WeakPolarHBondContact O-CG 3.5Å; R575-K579 PolarHBondContact O-N 3.32Å; E576-K579 PolarHBondContact O-N 3.2Å; E576-K579 IonicContact OE1-NZ 3.71Å; E576-K579 PolarHBondContact OE1-NZ 3.18Å; W577-K579 VanDerWaalsContact C-N 3.33Å; W577-K579 PolarHBondContact O-N 3.12Å; K579-L581 VanDerWaalsContact C-N 3.33Å; K579-L581 PolarHBondContact O-N 3.18Å; K579-G582 PolarHBondContact O-N 2.86Å; K579-G582 VanDerWaalsContact O-N 3.11Å
580	L	94.4	Very high	94	Very high	24 Å²	24	33.3 Å²	33.3	13%	0.126	16%	0.164	C	C	.	.	H	α-helix	trans	-63.9	-39.6	177.9	-70.1	168.3	0	0	0	112	W35 R53 W55 K64 E576 W577 G582	W35-L580 HydrophobicContact CB-CD1 4.16Å; W35-L580 HydrophobicContact CD2-CD1 3.49Å; W35-L580 VanDerWaalsContact CD2-CD1 3.49Å; W35-L580 HydrophobicContact CE3-CD1 4.05Å; W35-L580 HydrophobicContact CG-CD1 3.49Å; W35-L580 VanDerWaalsContact CG-CD1 3.49Å; W35-L580 HydrophobicContact CZ2-CD1 4.34Å; R53-L580 PolarHBondContact NE-O 2.94Å; W55-L580 HydrophobicContact CZ2-CB 3.97Å; W55-L580 HydrophobicContact CZ2-CD1 4.32Å; K64-L580 HydrophobicContact CD-CD2 4.31Å; E576-L580 WeakPolarHBondContact O-CG 3.35Å; E576-L580 PolarHBondContact O-N 3.4Å; W577-L580 PolarHBondContact O-N 3.42Å; L580-G582 VanDerWaalsContact C-N 3.35Å
581	L	96	Very high	94.4	Very high	6 Å²	6	32.6 Å²	32.6	3%	0.031	16%	0.157	C	C	.	.	H	α-helix	trans	-76.2	-20.5	173.2	-70.8	172.3	0	0	0	112.2	M37 Y49 M50 W577 A578 K579 V585 F590	M37-L581 HydrophobicContact CE-CD2 4.13Å; Y49-L581 WeakPolarHBondContact CE1-O 3.41Å; Y49-L581 VanDerWaalsContact CZ-O 3.23Å; Y49-L581 PolarHBondContact OH-O 2.87Å; M50-L581 HydrophobicContact CG-CD2 3.88Å; M50-L581 HydrophobicContact SD-CD2 4.23Å; W577-L581 HydrophobicContact CE3-CD1 4.27Å; W577-L581 HydrophobicContact CE3-CG 4.42Å; W577-L581 WeakPolarHBondContact O-CB 3.5Å; W577-L581 WeakPolarHBondContact O-CG 3.34Å; W577-L581 PolarHBondContact O-N 3.42Å; A578-L581 CarbonylContact O-C 3.57Å; A578-L581 PolarHBondContact O-N 3.03Å; K579-L581 VanDerWaalsContact C-N 3.33Å; K579-L581 PolarHBondContact O-N 3.18Å; L581-V585 HydrophobicContact CB-CG2 3.42Å; L581-V585 VanDerWaalsContact CB-CG2 3.42Å; L581-V585 HydrophobicContact CD1-CG2 4.05Å; L581-V585 HydrophobicContact CG-CG2 4.39Å; L581-F590 HydrophobicContact CB-CD2 4.31Å; L581-F590 HydrophobicContact CB-CE2 4.33Å; L581-F590 HydrophobicContact CD1-CB 4.13Å; L581-F590 HydrophobicContact CD1-CD1 4.11Å; L581-F590 HydrophobicContact CD1-CD2 4.06Å; L581-F590 HydrophobicContact CD1-CG 3.83Å; L581-F590 HydrophobicContact CD2-CD1 4.41Å; L581-F590 HydrophobicContact CD2-CD2 4.43Å; L581-F590 HydrophobicContact CD2-CE1 4.06Å; L581-F590 HydrophobicContact CD2-CE2 4.07Å; L581-F590 HydrophobicContact CD2-CZ 3.88Å
582	G	96.1	Very high	94.4	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	70.1	-162.1	175	0	0	0	0	0	114	N494 A578 K579 L580 R584 V585	N494-G582 CarbonylContact O-C 3.59Å; N494-G582 WeakPolarHBondContact O-CA 3.49Å; A578-G582 PolarHBondContact O-N 3.41Å; K579-G582 PolarHBondContact O-N 2.86Å; K579-G582 VanDerWaalsContact O-N 3.11Å; L580-G582 VanDerWaalsContact C-N 3.35Å; G582-R584 PolarHBondContact O-N 2.71Å; G582-V585 PolarHBondContact O-N 3.27Å; G582-V585 VanDerWaalsContact O-N 3.08Å
583	K	95.7	Very high	94.4	Very high	93 Å²	93	29.9 Å²	29.9	40%	0.404	14%	0.138	S	C	.	.	G	3₁₀ helix	trans	-56.5	-25.2	-166.1	-72	179.5	-176.3	171.3	0	115.4	N493 N494 S495 V585 L586	N493-K583 WeakPolarHBondContact O-CE 3.43Å; N493-K583 PolarHBondContact O-NZ 3.14Å; N494-K583 PolarHBondContact O-N 2.83Å; S495-K583 WeakPolarHBondContact O-CE 3.28Å; S495-K583 WeakPolarHBondContact O-CG 3.33Å; K583-V585 PolarHBondContact O-N 3.09Å; K583-L586 WeakPolarHBondContact O-CB 3.42Å; K583-L586 PolarHBondContact O-N 2.73Å
584	R	94.9	Very high	94.2	Very high	66 Å²	66	28.6 Å²	28.6	25%	0.249	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-59.1	-28.2	177.5	-82.4	-161	178	-150.8	-3.1	113.3	S45 D46 Y49 G582 L586 S587 H589 F590	S45-R584 VanDerWaalsContact C-NH1 3.33Å; S45-R584 PolarHBondContact O-NH1 2.91Å; D46-R584 WeakPolarHBondContact OD1-CD 3.39Å; D46-R584 IonicContact OD1-CZ 3.18Å; D46-R584 IonicContact OD1-NH1 2.72Å; D46-R584 PolarHBondContact OD1-NH1 2.86Å; Y49-R584 HydrophobicContact CD1-CG 4.25Å; Y49-R584 HydrophobicContact CD2-CG 4.16Å; Y49-R584 HydrophobicContact CE1-CB 4.09Å; Y49-R584 HydrophobicContact CE1-CG 4.06Å; Y49-R584 HydrophobicContact CE2-CG 3.95Å; Y49-R584 HydrophobicContact CG-CG 4.3Å; G582-R584 PolarHBondContact O-N 2.71Å; R584-L586 VanDerWaalsContact C-N 3.27Å; R584-L586 PolarHBondContact O-N 2.67Å; R584-S587 PolarHBondContact O-N 2.86Å; R584-S587 PolarHBondContact O-OG 3.47Å; R584-H589 HydrophobicContact CB-CB 4.12Å; R584-H589 WeakPolarHBondContact O-CB 3.49Å; R584-H589 PolarHBondContact O-N 2.68Å; R584-F590 HydrophobicContact CB-CD2 4.23Å; R584-F590 HydrophobicContact CB-CE2 3.79Å
585	V	95.2	Very high	93.4	Very high	5 Å²	5	30.3 Å²	30.3	3%	0.03	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-61	-40.1	174.2	177.9	0	0	0	0	110.9	I509 A578 L581 G582 K583 S587 G588 F590	I509-V585 HydrophobicContact CG1-CG1 4.13Å; A578-V585 HydrophobicContact CB-CB 4.44Å; A578-V585 HydrophobicContact CB-CG1 3.87Å; L581-V585 HydrophobicContact CB-CG2 3.42Å; L581-V585 VanDerWaalsContact CB-CG2 3.42Å; L581-V585 HydrophobicContact CD1-CG2 4.05Å; L581-V585 HydrophobicContact CG-CG2 4.39Å; G582-V585 PolarHBondContact O-N 3.27Å; G582-V585 VanDerWaalsContact O-N 3.08Å; K583-V585 PolarHBondContact O-N 3.09Å; V585-S587 PolarHBondContact O-N 2.99Å; V585-S587 VanDerWaalsContact O-N 3.15Å; V585-G588 PolarHBondContact O-N 2.69Å; V585-F590 HydrophobicContact CG2-CB 4.4Å; V585-F590 HydrophobicContact CG2-CD2 3.9Å
586	L	94.3	Very high	92	Very high	31 Å²	31	31.3 Å²	31.3	16%	0.162	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-64.7	-22.6	-177.7	-55.1	179.2	0	0	0	113.4	I496 I500 L505 N508 K583 R584	I496-L586 HydrophobicContact CD1-CD2 4.01Å; I496-L586 HydrophobicContact CD1-CG 4.14Å; I496-L586 HydrophobicContact CG1-CD1 4.19Å; I496-L586 HydrophobicContact CG1-CD2 4.46Å; I496-L586 HydrophobicContact CG1-CG 4.21Å; I500-L586 HydrophobicContact CD1-CD1 4.31Å; I500-L586 HydrophobicContact CD1-CD2 4.23Å; L505-L586 HydrophobicContact CD1-CD2 4.14Å; N508-L586 HydrophobicContact CB-CB 4.39Å; N508-L586 HydrophobicContact CB-CD2 3.85Å; N508-L586 PolarHBondContact OD1-O 3.32Å; K583-L586 WeakPolarHBondContact O-CB 3.42Å; K583-L586 PolarHBondContact O-N 2.73Å; R584-L586 VanDerWaalsContact C-N 3.27Å; R584-L586 PolarHBondContact O-N 2.67Å
587	S	91.8	Very high	90.3	Very high	26 Å²	26	34.1 Å²	34.1	18%	0.182	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-93.7	5	174.8	40.3	0	0	0	0	113.6	C4 R584 V585 H589	C4-S587 WeakPolarHBondContact CB-O 3.4Å; C4-S587 PolarHBondContact N-O 2.84Å; R584-S587 PolarHBondContact O-N 2.86Å; R584-S587 PolarHBondContact O-OG 3.47Å; V585-S587 PolarHBondContact O-N 2.99Å; V585-S587 VanDerWaalsContact O-N 3.15Å; S587-H589 VanDerWaalsContact C-N 3.33Å; S587-H589 PolarHBondContact O-N 3.21Å; S587-H589 PolarHBondContact OG-CD2 3.49Å; S587-H589 VanDerWaalsContact OG-CD2 3.25Å
588	G	93	Very high	90.2	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.4	17.4	178.6	0	0	0	0	0	115.4	V585 F590	V585-G588 PolarHBondContact O-N 2.69Å; G588-F590 PolarHBondContact O-N 3.34Å
589	H	95	Very high	89.9	Confident	46 Å²	46	37.3 Å²	37.3	21%	0.213	21%	0.207	C	C	.	.	S	Bend	trans	-64	-26.3	175.6	-84.5	-102.6	0	0	0	112.8	P7 S8 D46 R584 S587	P7-H589 CarbonylContact C-O 3.55Å; P7-H589 WeakPolarHBondContact CA-O 3.31Å; S8-H589 PolarHBondContact N-O 3.06Å; D46-H589 IonicContact OD1-CG 3.37Å; D46-H589 IonicContact OD1-ND1 3.72Å; D46-H589 PolarHBondContact OD1-ND1 2.92Å; D46-H589 IonicContact OD2-ND1 2.84Å; R584-H589 HydrophobicContact CB-CB 4.12Å; R584-H589 WeakPolarHBondContact O-CB 3.49Å; R584-H589 PolarHBondContact O-N 2.68Å; S587-H589 VanDerWaalsContact C-N 3.33Å; S587-H589 PolarHBondContact O-N 3.21Å; S587-H589 PolarHBondContact OG-CD2 3.49Å; S587-H589 VanDerWaalsContact OG-CD2 3.25Å
590	F	95.9	Very high	89.6	Confident	6 Å²	6	35.4 Å²	35.4	3%	0.026	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	124.2	176.3	-61.8	-80.6	0	0	0	108.8	S8 L42 D46 M50 L581 R584 V585 G588	S8-F590 WeakPolarHBondContact O-CA 3.32Å; L42-F590 HydrophobicContact CD1-CE1 4.21Å; D46-F590 HydrophobicContact CB-CE1 3.84Å; D46-F590 HydrophobicContact CB-CZ 3.72Å; M50-F590 HydrophobicContact CG-CE1 4.23Å; M50-F590 HydrophobicContact CG-CZ 3.96Å; M50-F590 HydrophobicContact SD-CE1 3.75Å; M50-F590 HydrophobicContact SD-CZ 4.11Å; L581-F590 HydrophobicContact CB-CD2 4.31Å; L581-F590 HydrophobicContact CB-CE2 4.33Å; L581-F590 HydrophobicContact CD1-CB 4.13Å; L581-F590 HydrophobicContact CD1-CD1 4.11Å; L581-F590 HydrophobicContact CD1-CD2 4.06Å; L581-F590 HydrophobicContact CD1-CG 3.83Å; L581-F590 HydrophobicContact CD2-CD1 4.41Å; L581-F590 HydrophobicContact CD2-CD2 4.43Å; L581-F590 HydrophobicContact CD2-CE1 4.06Å; L581-F590 HydrophobicContact CD2-CE2 4.07Å; L581-F590 HydrophobicContact CD2-CZ 3.88Å; R584-F590 HydrophobicContact CB-CD2 4.23Å; R584-F590 HydrophobicContact CB-CE2 3.79Å; V585-F590 HydrophobicContact CG2-CB 4.4Å; V585-F590 HydrophobicContact CG2-CD2 3.9Å; G588-F590 PolarHBondContact O-N 3.34Å
591	Q	95	Very high	89.3	Confident	10 Å²	10	36.1 Å²	36.1	5%	0.047	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	134.7	173.5	-60.4	-176.5	8.6	0	0	109.9	P7 S8 L9 V10 Y510	P7-Q591 HydrophobicContact CB-CG 3.77Å; P7-Q591 HydrophobicContact CG-CG 4.19Å; S8-Q591 PolarHBondContact O-N 3.12Å; L9-Q591 WeakPolarHBondContact CA-O 3.49Å; L9-Q591 HydrophobicContact CD2-CB 3.92Å; V10-Q591 PolarHBondContact N-O 2.89Å; Y510-Q591 WeakPolarHBondContact O-CA 3.23Å
592	I	94.4	Very high	88.9	Confident	14 Å²	14	37.9 Å²	37.9	7%	0.072	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	121	-178.5	-63.4	169.5	0	0	0	108.9	V10 P12 I509 Y510 F511 Y512 F574 I594	V10-I592 HydrophobicContact CG2-CG1 4.47Å; V10-I592 CarbonylContact O-C 3.57Å; V10-I592 WeakPolarHBondContact O-CA 3.39Å; P12-I592 HydrophobicContact CG-CD1 4.45Å; P12-I592 HydrophobicContact CG-CG1 4.48Å; P12-I592 HydrophobicContact CG-CG2 4Å; I509-I592 HydrophobicContact CG2-CD1 4Å; Y510-I592 PolarHBondContact O-N 3.13Å; F511-I592 CarbonylContact C-O 3.54Å; F511-I592 VanDerWaalsContact CA-O 3.24Å; F511-I592 WeakPolarHBondContact CA-O 3.34Å; F511-I592 HydrophobicContact CD1-CB 3.74Å; F511-I592 HydrophobicContact CD1-CG2 3.76Å; F511-I592 HydrophobicContact CE1-CB 3.76Å; F511-I592 HydrophobicContact CE1-CD1 4.15Å; F511-I592 HydrophobicContact CE1-CG2 3.54Å; F511-I592 HydrophobicContact CE2-CD1 4.47Å; F511-I592 HydrophobicContact CG-CB 4.33Å; F511-I592 HydrophobicContact CZ-CB 4.34Å; F511-I592 HydrophobicContact CZ-CD1 3.94Å; F511-I592 HydrophobicContact CZ-CG2 4.4Å; Y512-I592 PolarHBondContact N-O 2.97Å; F574-I592 HydrophobicContact CB-CD1 4.25Å; F574-I592 HydrophobicContact CD1-CD1 3.62Å; F574-I592 HydrophobicContact CE1-CD1 4.24Å; F574-I592 HydrophobicContact CE1-CG2 4.1Å; F574-I592 HydrophobicContact CG-CD1 4.13Å; I592-I594 HydrophobicContact CG2-CG2 4.35Å
593	I	92.2	Very high	88.4	Confident	13 Å²	13	40.5 Å²	40.5	7%	0.067	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	129	175	-61.1	161.6	0	0	0	109	L9 V10 I11 E40 Y512 K514	L9-I593 HydrophobicContact CB-CD1 3.61Å; L9-I593 HydrophobicContact CB-CG1 3.93Å; V10-I593 PolarHBondContact O-N 2.88Å; I11-I593 HydrophobicContact CD1-CD1 4.47Å; I11-I593 HydrophobicContact CG1-CB 3.86Å; I11-I593 HydrophobicContact CG1-CD1 4.2Å; I11-I593 HydrophobicContact CG1-CG2 4.45Å; E40-I593 HydrophobicContact CB-CD1 3.8Å; E40-I593 HydrophobicContact CG-CD1 3.65Å; E40-I593 WeakPolarHBondContact OE2-CD1 3.47Å; Y512-I593 HydrophobicContact CD1-CG1 4.24Å; Y512-I593 HydrophobicContact CD1-CG2 4.5Å; Y512-I593 WeakPolarHBondContact O-CA 3.24Å; K514-I593 HydrophobicContact CB-CG2 4.13Å; K514-I593 HydrophobicContact CD-CG2 4.26Å
594	I	87.5	Confident	87.9	Confident	36 Å²	36	36.7 Å²	36.7	19%	0.185	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	148.8	167.4	55.6	172.9	0	0	0	110.1	F511 Y512 I513 K514 L562 I592	F511-I594 HydrophobicContact CB-CD1 4.28Å; F511-I594 HydrophobicContact CB-CG1 4.45Å; F511-I594 HydrophobicContact CD1-CD1 3.86Å; F511-I594 HydrophobicContact CD1-CG1 4.08Å; F511-I594 HydrophobicContact CD1-CG2 3.7Å; F511-I594 HydrophobicContact CE1-CG2 3.96Å; F511-I594 HydrophobicContact CG-CD1 4.36Å; Y512-I594 PolarHBondContact O-N 3.38Å; I513-I594 WeakPolarHBondContact CA-O 3.25Å; I513-I594 HydrophobicContact CD1-CD1 4.42Å; I513-I594 HydrophobicContact CG1-CD1 3.99Å; I513-I594 HydrophobicContact CG1-CG1 3.96Å; K514-I594 PolarHBondContact N-O 3.25Å; L562-I594 HydrophobicContact CD1-CD1 3.97Å; I592-I594 HydrophobicContact CG2-CG2 4.35Å
595	S	76.4	Confident	87.3	Confident	59 Å²	59	34.5 Å²	34.5	41%	0.413	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	149.3	169.5	49.8	0	0	0	0	110.5	S597	S595-S597 PolarHBondContact O-N 3.3Å; S595-S597 PolarHBondContact OG-OG 3.07Å; S595-S597 PolarHBondContact OG-OXT 2.94Å
596	S	66.5	Low	86.7	Confident	70 Å²	70	36.9 Å²	36.9	49%	0.49	23%	0.232	S	C	.	.			trans	-70	-17.2	174.3	58.4	0	0	0	0	114.5	K514	K514-S596 PolarHBondContact O-N 2.84Å
597	S	58	Low	86	Confident	132 Å²	132	37.5 Å²	37.5	92%	0.923	24%	0.238	S	C	*	.			trans	-80.4	0	170.9	60.1	0	0	0	0	111	N516 S595	N516-S597 PolarHBondContact ND2-OG 3.17Å; S595-S597 PolarHBondContact O-N 3.3Å; S595-S597 PolarHBondContact OG-OG 3.07Å; S595-S597 PolarHBondContact OG-OXT 2.94Å

Retrieved 597 of 597 residues in 817.7 ms (Link to these results)

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