A0A5K4FCZ4_SCHMA Loading...

C2H2-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FCZ4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 270 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	37.2	Very low	54.2	Low	225 Å²	225	133.6 Å²	133.6	100%	1.108	69%	0.69	S	S	*	*				0	51.8	0	-108.6	176.8	165.4	0	0	107.9
2	D	41.6	Very low	56.5	Low	134 Å²	134	128.8 Å²	128.8	72%	0.717	67%	0.671	S	S	*	*			trans	-131.4	35.3	-155.2	-55	-65.8	0	0	0	114.1
3	F	46.9	Very low	58.7	Low	196 Å²	196	134.1 Å²	134.1	86%	0.86	68%	0.676	S	S	*	*	S	Bend	trans	-106.7	-0.1	179.8	-103.6	-88.8	0	0	0	115.5
4	F	48.2	Very low	60.5	Low	201 Å²	201	131.9 Å²	131.9	88%	0.882	67%	0.666	S	S	*	*	S	Bend	trans	-94.4	-3.3	-177.2	-83.2	-81.5	0	0	0	115.6
5	I	51.3	Low	62.2	Low	124 Å²	124	131.3 Å²	131.3	64%	0.636	66%	0.664	S	S	*	*	S	Bend	trans	-85.8	-28.5	-176.4	-56.5	171.7	0	0	0	112.2	L9	I5-L9 HydrophobicContact CG2-CD1 4.48Å
6	G	52.2	Low	63.8	Low	52 Å²	52	132.8 Å²	132.8	54%	0.536	66%	0.661	S	S	.	*	H	α-helix	trans	-73.9	-31	-172	0	0	0	0	0	116.2
7	H	53.7	Low	65.2	Low	143 Å²	143	127.7 Å²	127.7	66%	0.662	65%	0.645	S	S	*	*	H	α-helix	trans	-78.8	-25.4	-174.1	-106.1	-72.6	0	0	0	114.1
8	S	57.1	Low	66.4	Low	82 Å²	82	124.2 Å²	124.2	57%	0.573	63%	0.633	S	S	*	*	H	α-helix	trans	-70.5	-41.7	178.6	-174	0	0	0	0	111.5	S10 K11 T12	S8-S10 VanDerWaalsContact C-N 3.34Å; S8-S10 PolarHBondContact O-N 3.45Å; S8-K11 PolarHBondContact O-N 2.63Å; S8-T12 PolarHBondContact O-N 3.47Å; S8-T12 PolarHBondContact O-OG1 3.47Å
9	L	56.6	Low	67.5	Low	106 Å²	106	120.8 Å²	120.8	56%	0.555	62%	0.621	S	S	*	*	H	α-helix	trans	-66	-30.3	-179.2	-73.4	159.4	0	0	0	113.8	I5 T12 R13	I5-L9 HydrophobicContact CG2-CD1 4.48Å; L9-T12 WeakPolarHBondContact CA-OG1 3.47Å; L9-T12 PolarHBondContact O-OG1 3.44Å; L9-R13 WeakPolarHBondContact O-CG 3.07Å; L9-R13 PolarHBondContact O-N 2.98Å
10	S	73.2	Confident	68.6	Low	59 Å²	59	119.1 Å²	119.1	41%	0.413	61%	0.612	S	S	.	*	H	α-helix	trans	-72.2	-46	177.4	170.7	0	0	0	0	111.6	S8 T12 R13 I14	S8-S10 VanDerWaalsContact C-N 3.34Å; S8-S10 PolarHBondContact O-N 3.45Å; S10-T12 VanDerWaalsContact C-N 3.34Å; S10-T12 PolarHBondContact O-N 3.13Å; S10-R13 PolarHBondContact O-N 2.92Å; S10-I14 WeakPolarHBondContact O-CG1 3.49Å; S10-I14 PolarHBondContact O-N 3.03Å
11	K	78.7	Confident	69.6	Low	148 Å²	148	117.9 Å²	117.9	64%	0.643	61%	0.606	S	S	*	*	H	α-helix	trans	-63.4	-40.5	179.2	-67.6	-176.8	-178.5	-177.9	0	111.6	S8 I14 L15	S8-K11 PolarHBondContact O-N 2.63Å; K11-I14 PolarHBondContact O-N 3.3Å; K11-L15 WeakPolarHBondContact O-CB 3.37Å; K11-L15 PolarHBondContact O-N 3.31Å
12	T	81	Confident	71.9	Confident	76 Å²	76	112.5 Å²	112.5	47%	0.466	58%	0.582	S	S	.	*	H	α-helix	trans	-64.9	-38.8	176.4	50.7	0	0	0	0	112.4	S8 L9 S10 Y16	S8-T12 PolarHBondContact O-N 3.47Å; S8-T12 PolarHBondContact O-OG1 3.47Å; L9-T12 WeakPolarHBondContact CA-OG1 3.47Å; L9-T12 PolarHBondContact O-OG1 3.44Å; S10-T12 VanDerWaalsContact C-N 3.34Å; S10-T12 PolarHBondContact O-N 3.13Å; T12-Y16 VanDerWaalsContact O-CB 3.28Å; T12-Y16 WeakPolarHBondContact O-CB 3.25Å; T12-Y16 PolarHBondContact O-N 3.32Å
13	R	85.2	Confident	74	Confident	197 Å²	197	111.1 Å²	111.1	74%	0.743	57%	0.573	S	S	*	*	H	α-helix	trans	-64.9	-43.4	175.4	-79.1	-175.1	168.5	-156.3	-3.3	113.3	L9 S10 Y16 A17	L9-R13 WeakPolarHBondContact O-CG 3.07Å; L9-R13 PolarHBondContact O-N 2.98Å; S10-R13 PolarHBondContact O-N 2.92Å; R13-Y16 PolarHBondContact O-N 2.96Å; R13-A17 WeakPolarHBondContact O-CB 3.34Å; R13-A17 PolarHBondContact O-N 3.49Å
14	I	84.1	Confident	75.5	Confident	103 Å²	103	104.1 Å²	104.1	53%	0.528	55%	0.548	S	S	.	.	H	α-helix	trans	-65.1	-45.5	177.9	-64.8	166.6	0	0	0	110.1	S10 K11 Y16 A17 C18	S10-I14 WeakPolarHBondContact O-CG1 3.49Å; S10-I14 PolarHBondContact O-N 3.03Å; K11-I14 PolarHBondContact O-N 3.3Å; I14-Y16 VanDerWaalsContact C-N 3.31Å; I14-Y16 PolarHBondContact O-N 3.39Å; I14-A17 PolarHBondContact O-N 3.26Å; I14-C18 PolarHBondContact O-N 2.88Å; I14-C18 PolarHBondContact O-SG 3.05Å; I14-C18 VanDerWaalsContact O-SG 3.35Å
15	L	85.7	Confident	76.8	Confident	123 Å²	123	98 Å²	98	64%	0.644	52%	0.524	S	S	*	.	H	α-helix	trans	-60.6	-42.7	177.9	-151.1	95.7	0	0	0	111.3	K11 C18 C19	K11-L15 WeakPolarHBondContact O-CB 3.37Å; K11-L15 PolarHBondContact O-N 3.31Å; L15-C18 PolarHBondContact O-N 3.46Å; L15-C19 WeakPolarHBondContact O-CB 3.32Å; L15-C19 PolarHBondContact O-N 3.46Å; L15-C19 PolarHBondContact O-SG 2.84Å; L15-C19 VanDerWaalsContact O-SG 3.37Å
16	Y	89	Confident	77.6	Confident	156 Å²	156	95.5 Å²	95.5	61%	0.612	52%	0.518	S	S	*	.	H	α-helix	trans	-65	-44.1	177.9	-171.1	-102.9	0	0	0	112.4	T12 R13 I14 C19 L20	T12-Y16 VanDerWaalsContact O-CB 3.28Å; T12-Y16 WeakPolarHBondContact O-CB 3.25Å; T12-Y16 PolarHBondContact O-N 3.32Å; R13-Y16 PolarHBondContact O-N 2.96Å; I14-Y16 VanDerWaalsContact C-N 3.31Å; I14-Y16 PolarHBondContact O-N 3.39Å; Y16-C19 PolarHBondContact O-N 3.39Å; Y16-L20 HydrophobicContact CD1-CD1 3.95Å; Y16-L20 HydrophobicContact CD1-CG 4.29Å; Y16-L20 HydrophobicContact CE1-CD1 3.52Å; Y16-L20 HydrophobicContact CE1-CD2 4.45Å; Y16-L20 HydrophobicContact CE1-CG 4.02Å; Y16-L20 WeakPolarHBondContact O-CG 3.18Å; Y16-L20 PolarHBondContact O-N 2.82Å
17	A	87.8	Confident	78.3	Confident	46 Å²	46	96.2 Å²	96.2	38%	0.38	51%	0.511	S	S	.	.	H	α-helix	trans	-62.2	-43.6	175.9	0	0	0	0	0	112.1	R13 I14 C19 L20 I21	R13-A17 WeakPolarHBondContact O-CB 3.34Å; R13-A17 PolarHBondContact O-N 3.49Å; I14-A17 PolarHBondContact O-N 3.26Å; A17-C19 PolarHBondContact O-N 3.31Å; A17-L20 PolarHBondContact O-N 3.37Å; A17-I21 VanDerWaalsContact O-CG1 3.31Å; A17-I21 WeakPolarHBondContact O-CG1 3.33Å; A17-I21 PolarHBondContact O-N 2.9Å
18	C	86.2	Confident	78.7	Confident	65 Å²	65	93.7 Å²	93.7	44%	0.439	50%	0.502	S	S	.	.	H	α-helix	trans	-61.4	-43.1	174.2	-70.6	0	0	0	0	111.7	I14 L15 L20 I21 L22	I14-C18 PolarHBondContact O-N 2.88Å; I14-C18 PolarHBondContact O-SG 3.05Å; I14-C18 VanDerWaalsContact O-SG 3.35Å; L15-C18 PolarHBondContact O-N 3.46Å; C18-L20 PolarHBondContact O-N 2.98Å; C18-I21 PolarHBondContact O-N 3.31Å; C18-L22 WeakPolarHBondContact O-CB 3.25Å; C18-L22 VanDerWaalsContact O-CG 3.28Å; C18-L22 WeakPolarHBondContact O-CG 3.47Å; C18-L22 PolarHBondContact O-N 2.94Å
19	C	87.9	Confident	78.8	Confident	59 Å²	59	97.8 Å²	97.8	40%	0.399	51%	0.506	S	S	.	.	H	α-helix	trans	-60.9	-43.4	175.2	-76.7	0	0	0	0	112.2	L15 Y16 A17 I21 L22 I23	L15-C19 WeakPolarHBondContact O-CB 3.32Å; L15-C19 PolarHBondContact O-N 3.46Å; L15-C19 PolarHBondContact O-SG 2.84Å; L15-C19 VanDerWaalsContact O-SG 3.37Å; Y16-C19 PolarHBondContact O-N 3.39Å; A17-C19 PolarHBondContact O-N 3.31Å; C19-I21 VanDerWaalsContact C-N 3.33Å; C19-I21 PolarHBondContact O-N 3.48Å; C19-L22 PolarHBondContact O-N 2.92Å; C19-I23 WeakPolarHBondContact O-CB 3.1Å; C19-I23 WeakPolarHBondContact O-CD1 3.45Å; C19-I23 WeakPolarHBondContact O-CG1 3.36Å; C19-I23 PolarHBondContact O-N 3.12Å
20	L	89.8	Confident	78.7	Confident	86 Å²	86	97.2 Å²	97.2	45%	0.45	51%	0.507	S	S	.	.	H	α-helix	trans	-63.3	-38.8	177.1	-71	-176.8	0	0	0	112.4	Y16 A17 C18 S24	Y16-L20 HydrophobicContact CD1-CD1 3.95Å; Y16-L20 HydrophobicContact CD1-CG 4.29Å; Y16-L20 HydrophobicContact CE1-CD1 3.52Å; Y16-L20 HydrophobicContact CE1-CD2 4.45Å; Y16-L20 HydrophobicContact CE1-CG 4.02Å; Y16-L20 WeakPolarHBondContact O-CG 3.18Å; Y16-L20 PolarHBondContact O-N 2.82Å; A17-L20 PolarHBondContact O-N 3.37Å; C18-L20 PolarHBondContact O-N 2.98Å; L20-S24 WeakPolarHBondContact O-CB 3.5Å; L20-S24 PolarHBondContact O-N 2.99Å; L20-S24 PolarHBondContact O-OG 3.45Å
21	I	88.9	Confident	77.6	Confident	95 Å²	95	100.5 Å²	100.5	49%	0.487	52%	0.52	S	S	.	.	H	α-helix	trans	-67.1	-41.5	175.3	-67.2	165.7	0	0	0	110.7	A17 C18 C19 S24 I25	A17-I21 VanDerWaalsContact O-CG1 3.31Å; A17-I21 WeakPolarHBondContact O-CG1 3.33Å; A17-I21 PolarHBondContact O-N 2.9Å; C18-I21 PolarHBondContact O-N 3.31Å; C19-I21 VanDerWaalsContact C-N 3.33Å; C19-I21 PolarHBondContact O-N 3.48Å; I21-S24 WeakPolarHBondContact CA-OG 3.24Å; I21-S24 PolarHBondContact O-N 2.94Å; I21-S24 PolarHBondContact O-OG 2.74Å; I21-I25 HydrophobicContact CG2-CD1 3.55Å; I21-I25 HydrophobicContact CG2-CG1 4.26Å; I21-I25 WeakPolarHBondContact O-CB 3.24Å; I21-I25 WeakPolarHBondContact O-CD1 3.37Å; I21-I25 WeakPolarHBondContact O-CG1 3.36Å; I21-I25 PolarHBondContact O-N 3.48Å
22	L	85.7	Confident	76.3	Confident	112 Å²	112	99.9 Å²	99.9	59%	0.586	52%	0.522	S	S	*	.	H	α-helix	trans	-67.8	-38.6	177.5	-69.9	173.6	0	0	0	112.2	C18 C19 S26	C18-L22 WeakPolarHBondContact O-CB 3.25Å; C18-L22 VanDerWaalsContact O-CG 3.28Å; C18-L22 WeakPolarHBondContact O-CG 3.47Å; C18-L22 PolarHBondContact O-N 2.94Å; C19-L22 PolarHBondContact O-N 2.92Å; L22-S26 VanDerWaalsContact O-CB 3.24Å; L22-S26 WeakPolarHBondContact O-CB 3.28Å; L22-S26 PolarHBondContact O-N 2.75Å
23	I	84.8	Confident	74.5	Confident	104 Å²	104	103 Å²	103	53%	0.533	54%	0.535	S	S	.	.	H	α-helix	trans	-64.7	-45.8	174.5	-67.5	163.1	0	0	0	109.7	C19 S26 T27	C19-I23 WeakPolarHBondContact O-CB 3.1Å; C19-I23 WeakPolarHBondContact O-CD1 3.45Å; C19-I23 WeakPolarHBondContact O-CG1 3.36Å; C19-I23 PolarHBondContact O-N 3.12Å; I23-S26 PolarHBondContact O-N 3.44Å; I23-T27 HydrophobicContact CG2-CG2 4.44Å; I23-T27 WeakPolarHBondContact O-CG2 3.25Å; I23-T27 PolarHBondContact O-N 3.3Å; I23-T27 PolarHBondContact O-OG1 3.4Å
24	S	79.2	Confident	73.1	Confident	50 Å²	50	98.4 Å²	98.4	35%	0.35	53%	0.526	S	S	.	.	H	α-helix	trans	-66.4	-39.6	179	67.8	0	0	0	0	112.6	L20 I21 T27 I28	L20-S24 WeakPolarHBondContact O-CB 3.5Å; L20-S24 PolarHBondContact O-N 2.99Å; L20-S24 PolarHBondContact O-OG 3.45Å; I21-S24 WeakPolarHBondContact CA-OG 3.24Å; I21-S24 PolarHBondContact O-N 2.94Å; I21-S24 PolarHBondContact O-OG 2.74Å; S24-T27 WeakPolarHBondContact CA-OG1 3.45Å; S24-T27 PolarHBondContact O-N 2.86Å; S24-T27 PolarHBondContact O-OG1 3.49Å; S24-I28 VanDerWaalsContact O-CB 3.31Å; S24-I28 WeakPolarHBondContact O-CB 3.32Å; S24-I28 VanDerWaalsContact O-CD1 3.26Å; S24-I28 WeakPolarHBondContact O-CD1 3.38Å; S24-I28 WeakPolarHBondContact O-CG1 3.42Å; S24-I28 PolarHBondContact O-N 2.92Å
25	I	75.2	Confident	72.6	Confident	73 Å²	73	102.3 Å²	102.3	37%	0.374	54%	0.539	S	S	.	.	H	α-helix	trans	-63.8	-45.3	173.4	-69.1	167.6	0	0	0	110	I21 T27 I28 Y29	I21-I25 HydrophobicContact CG2-CD1 3.55Å; I21-I25 HydrophobicContact CG2-CG1 4.26Å; I21-I25 WeakPolarHBondContact O-CB 3.24Å; I21-I25 WeakPolarHBondContact O-CD1 3.37Å; I21-I25 WeakPolarHBondContact O-CG1 3.36Å; I21-I25 PolarHBondContact O-N 3.48Å; I25-T27 VanDerWaalsContact C-N 3.35Å; I25-T27 PolarHBondContact O-N 3.34Å; I25-I28 PolarHBondContact O-N 2.85Å; I25-Y29 HydrophobicContact CG2-CD2 3.58Å; I25-Y29 HydrophobicContact CG2-CE2 3.72Å; I25-Y29 WeakPolarHBondContact O-CB 3.44Å; I25-Y29 WeakPolarHBondContact O-CD2 3.46Å; I25-Y29 PolarHBondContact O-N 3.48Å
26	S	68.5	Low	72.8	Confident	71 Å²	71	97.5 Å²	97.5	50%	0.497	52%	0.515	S	S	.	.	H	α-helix	trans	-61.8	-42.9	177.8	-173.2	0	0	0	0	111.5	L22 I23 Y29 T30	L22-S26 VanDerWaalsContact O-CB 3.24Å; L22-S26 WeakPolarHBondContact O-CB 3.28Å; L22-S26 PolarHBondContact O-N 2.75Å; I23-S26 PolarHBondContact O-N 3.44Å; S26-Y29 PolarHBondContact O-N 2.96Å; S26-T30 WeakPolarHBondContact O-CG2 3.28Å; S26-T30 PolarHBondContact O-N 3.5Å; S26-T30 PolarHBondContact O-OG1 3.26Å; S26-T30 VanDerWaalsContact O-OG1 3.14Å
27	T	65.5	Low	72.9	Confident	66 Å²	66	91.6 Å²	91.6	41%	0.405	50%	0.497	S	S	.	.	H	α-helix	trans	-66.5	-40.6	176.5	54.7	0	0	0	0	111	I23 S24 I25 T30 N31	I23-T27 HydrophobicContact CG2-CG2 4.44Å; I23-T27 WeakPolarHBondContact O-CG2 3.25Å; I23-T27 PolarHBondContact O-N 3.3Å; I23-T27 PolarHBondContact O-OG1 3.4Å; S24-T27 WeakPolarHBondContact CA-OG1 3.45Å; S24-T27 PolarHBondContact O-N 2.86Å; S24-T27 PolarHBondContact O-OG1 3.49Å; I25-T27 VanDerWaalsContact C-N 3.35Å; I25-T27 PolarHBondContact O-N 3.34Å; T27-T30 VanDerWaalsContact CA-OG1 3.3Å; T27-T30 WeakPolarHBondContact CA-OG1 3.31Å; T27-T30 PolarHBondContact O-N 2.91Å; T27-T30 PolarHBondContact O-OG1 3.44Å; T27-N31 WeakPolarHBondContact O-CB 3.48Å; T27-N31 PolarHBondContact O-N 2.93Å; T27-N31 PolarHBondContact O-ND2 3.14Å
28	I	63.9	Low	73.1	Confident	91 Å²	91	90.9 Å²	90.9	47%	0.467	49%	0.486	S	S	.	.	H	α-helix	trans	-60.9	-45.6	174.6	-70.3	161.9	0	0	0	110.8	S24 I25 T30 N31 I32	S24-I28 VanDerWaalsContact O-CB 3.31Å; S24-I28 WeakPolarHBondContact O-CB 3.32Å; S24-I28 VanDerWaalsContact O-CD1 3.26Å; S24-I28 WeakPolarHBondContact O-CD1 3.38Å; S24-I28 WeakPolarHBondContact O-CG1 3.42Å; S24-I28 PolarHBondContact O-N 2.92Å; I25-I28 PolarHBondContact O-N 2.85Å; I28-T30 PolarHBondContact O-N 3.31Å; I28-N31 PolarHBondContact O-N 3.09Å; I28-N31 VanDerWaalsContact O-N 3.14Å; I28-I32 HydrophobicContact CG2-CD1 3.61Å; I28-I32 HydrophobicContact CG2-CG1 4.39Å; I28-I32 WeakPolarHBondContact O-CG1 3.11Å; I28-I32 PolarHBondContact O-N 3.2Å
29	Y	57.7	Low	73.3	Confident	168 Å²	168	90.2 Å²	90.2	66%	0.659	48%	0.482	S	S	*	.	H	α-helix	trans	-64.2	-38.2	177.3	-93.4	-82.5	0	0	0	112.6	I25 S26 N31 I32 L33	I25-Y29 HydrophobicContact CG2-CD2 3.58Å; I25-Y29 HydrophobicContact CG2-CE2 3.72Å; I25-Y29 WeakPolarHBondContact O-CB 3.44Å; I25-Y29 WeakPolarHBondContact O-CD2 3.46Å; I25-Y29 PolarHBondContact O-N 3.48Å; S26-Y29 PolarHBondContact O-N 2.96Å; Y29-N31 VanDerWaalsContact C-N 3.3Å; Y29-N31 PolarHBondContact O-N 3.08Å; Y29-I32 PolarHBondContact O-N 3.36Å; Y29-L33 PolarHBondContact O-N 3.04Å
30	T	54	Low	73.5	Confident	94 Å²	94	90.9 Å²	90.9	58%	0.577	48%	0.479	S	S	*	.	H	α-helix	trans	-69.6	-26.4	174	54	0	0	0	0	113	S26 T27 I28	S26-T30 WeakPolarHBondContact O-CG2 3.28Å; S26-T30 PolarHBondContact O-N 3.5Å; S26-T30 PolarHBondContact O-OG1 3.26Å; S26-T30 VanDerWaalsContact O-OG1 3.14Å; T27-T30 VanDerWaalsContact CA-OG1 3.3Å; T27-T30 WeakPolarHBondContact CA-OG1 3.31Å; T27-T30 PolarHBondContact O-N 2.91Å; T27-T30 PolarHBondContact O-OG1 3.44Å; I28-T30 PolarHBondContact O-N 3.31Å
31	N	50.4	Low	73.7	Confident	128 Å²	128	86.8 Å²	86.8	68%	0.684	46%	0.458	S	S	*	.	H	α-helix	trans	-79.4	-30.1	174.6	-80.7	-75.6	0	0	0	112.7	T27 I28 Y29	T27-N31 WeakPolarHBondContact O-CB 3.48Å; T27-N31 PolarHBondContact O-N 2.93Å; T27-N31 PolarHBondContact O-ND2 3.14Å; I28-N31 PolarHBondContact O-N 3.09Å; I28-N31 VanDerWaalsContact O-N 3.14Å; Y29-N31 VanDerWaalsContact C-N 3.3Å; Y29-N31 PolarHBondContact O-N 3.08Å
32	I	51.3	Low	74	Confident	134 Å²	134	83.8 Å²	83.8	69%	0.687	44%	0.441	S	S	*	.	H	α-helix	trans	-84	-37.5	-178.5	-67.1	169.3	0	0	0	111.9	I28 Y29 D34	I28-I32 HydrophobicContact CG2-CD1 3.61Å; I28-I32 HydrophobicContact CG2-CG1 4.39Å; I28-I32 WeakPolarHBondContact O-CG1 3.11Å; I28-I32 PolarHBondContact O-N 3.2Å; Y29-I32 PolarHBondContact O-N 3.36Å; I32-D34 PolarHBondContact O-N 2.8Å
33	L	44.2	Very low	74.3	Confident	142 Å²	142	79 Å²	79	74%	0.743	42%	0.416	S	S	*	.	S	Bend	trans	-92.1	62.3	176.1	-161.7	79.1	0	0	0	109.8	Y29 K35	Y29-L33 PolarHBondContact O-N 3.04Å; L33-K35 PolarHBondContact O-N 2.9Å
34	D	55.6	Low	74.8	Confident	101 Å²	101	74 Å²	74	54%	0.54	39%	0.39	S	S	.	.			trans	-58.7	104.3	172.7	-154.6	12.1	0	0	0	107.5	I32 C36	I32-D34 PolarHBondContact O-N 2.8Å; D34-C36 PolarHBondContact O-N 3.44Å
35	K	74.2	Confident	75.6	Confident	184 Å²	184	73.2 Å²	73.2	80%	0.8	38%	0.379	S	S	*	.			trans	-58.8	117.8	168	-78.7	-173.7	177.2	-174.7	0	105	L33 S37	L33-K35 PolarHBondContact O-N 2.9Å; K35-S37 PolarHBondContact O-N 3.27Å
36	C	88.3	Confident	76.5	Confident	23 Å²	23	71.1 Å²	71.1	16%	0.155	37%	0.371	C	S	.	.			trans	-46.2	112.1	-177.6	-169.7	0	0	0	0	110.8	D34 I38 S41 I75 Y76 C126	D34-C36 PolarHBondContact O-N 3.44Å; C36-I38 PolarHBondContact O-N 3.12Å; C36-S41 PolarHBondContact SG-OG 2.84Å; C36-S41 VanDerWaalsContact SG-OG 3.35Å; C36-I75 HydrophobicContact CB-CD1 3.81Å; C36-I75 VanDerWaalsContact SG-CD1 3.54Å; C36-Y76 HydrophobicContact CB-CE2 3.9Å; C36-Y76 PolarHBondContact O-OH 3.34Å; C36-Y76 WeakPolarHBondContact SG-CE2 3.48Å; C36-C126 WeakPolarHBondContact CA-SG 3.06Å; C36-C126 HydrophobicContact CB-CB 3.74Å; C36-C126 WeakPolarHBondContact CB-SG 3.11Å; C36-C126 WeakPolarHBondContact SG-CA 3.35Å; C36-C126 WeakPolarHBondContact SG-CB 3.27Å; C36-C126 CovalentContact SG-SG 2Å; C36-C126 PolarHBondContact SG-SG 3.34Å
37	S	91.3	Very high	77.6	Confident	31 Å²	31	67.9 Å²	67.9	22%	0.217	35%	0.348	C	S	.	.			trans	-76.1	123.3	-177.2	168.4	0	0	0	0	109.2	K35 S39 Q40 S41 S128	K35-S37 PolarHBondContact O-N 3.27Å; S37-S39 PolarHBondContact OG-OG 3.34Å; S37-Q40 PolarHBondContact OG-N 3.03Å; S37-S41 VanDerWaalsContact O-CB 3.27Å; S37-S41 WeakPolarHBondContact O-CB 3.24Å; S37-S41 PolarHBondContact O-N 3.4Å; S37-S41 PolarHBondContact O-OG 3.43Å; S37-S128 WeakPolarHBondContact O-CB 3.49Å
38	I	92.3	Very high	79.1	Confident	32 Å²	32	64.8 Å²	64.8	16%	0.164	33%	0.329	C	S	.	.	H	α-helix	trans	-63.9	-46.9	-179.4	-53.3	174.2	0	0	0	109.7	C36 S41 R42 Y76 D107	C36-I38 PolarHBondContact O-N 3.12Å; I38-S41 PolarHBondContact O-N 2.9Å; I38-R42 VanDerWaalsContact CG2-NH2 3.3Å; I38-R42 WeakPolarHBondContact O-CB 3.32Å; I38-R42 PolarHBondContact O-N 3.5Å; I38-Y76 HydrophobicContact CB-CE2 4.35Å; I38-Y76 HydrophobicContact CD1-CE1 4.13Å; I38-Y76 HydrophobicContact CG1-CD1 4.13Å; I38-Y76 HydrophobicContact CG1-CD2 4.5Å; I38-Y76 HydrophobicContact CG1-CE1 3.59Å; I38-Y76 HydrophobicContact CG1-CE2 3.9Å; I38-Y76 VanDerWaalsContact CG1-CZ 3.49Å; I38-Y76 HydrophobicContact CG2-CD1 4.3Å; I38-Y76 HydrophobicContact CG2-CG 4.38Å; I38-D107 HydrophobicContact CD1-CB 4.01Å
39	S	91.4	Very high	80.6	Confident	51 Å²	51	64.7 Å²	64.7	36%	0.357	33%	0.33	S	S	.	.	H	α-helix	trans	-64.1	-42.7	-179.6	57.1	0	0	0	0	112	S37 R42 L43	S37-S39 PolarHBondContact OG-OG 3.34Å; S39-R42 WeakPolarHBondContact O-CB 3.18Å; S39-R42 PolarHBondContact O-N 3.3Å; S39-L43 WeakPolarHBondContact O-CB 3.48Å; S39-L43 PolarHBondContact O-N 3.37Å
40	Q	91.3	Very high	82.2	Confident	72 Å²	72	62.6 Å²	62.6	34%	0.336	33%	0.326	S	S	.	.	H	α-helix	trans	-68.4	-37.6	174.8	-73.2	-176.8	-5	0	0	112.1	S37 R42 L43 A44 S128 C131	S37-Q40 PolarHBondContact OG-N 3.03Å; Q40-R42 VanDerWaalsContact C-N 3.28Å; Q40-R42 PolarHBondContact O-N 2.91Å; Q40-L43 WeakPolarHBondContact O-CB 3.49Å; Q40-L43 PolarHBondContact O-N 3.06Å; Q40-A44 WeakPolarHBondContact O-CB 3.37Å; Q40-A44 PolarHBondContact O-N 2.94Å; Q40-S128 PolarHBondContact OE1-OG 2.94Å; Q40-C131 PolarHBondContact O-SG 3.46Å; Q40-C131 VanDerWaalsContact O-SG 3.34Å
41	S	94.7	Very high	84	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-64.4	-36.3	174.7	-62.9	0	0	0	0	111.6	C36 S37 I38 R45 S128	C36-S41 PolarHBondContact SG-OG 2.84Å; C36-S41 VanDerWaalsContact SG-OG 3.35Å; S37-S41 VanDerWaalsContact O-CB 3.27Å; S37-S41 WeakPolarHBondContact O-CB 3.24Å; S37-S41 PolarHBondContact O-N 3.4Å; S37-S41 PolarHBondContact O-OG 3.43Å; I38-S41 PolarHBondContact O-N 2.9Å; S41-R45 VanDerWaalsContact O-CB 3.28Å; S41-R45 WeakPolarHBondContact O-CB 3.34Å; S41-R45 PolarHBondContact O-N 2.95Å; S41-S128 VanDerWaalsContact OG-CB 3.27Å; S41-S128 WeakPolarHBondContact OG-CB 2.95Å; S41-S128 PolarHBondContact OG-N 3.34Å
42	R	94.1	Very high	86.2	Confident	33 Å²	33	53.9 Å²	53.9	13%	0.125	28%	0.276	C	S	.	.	H	α-helix	trans	-63.9	-42.5	172	-176.7	-176.2	-54.8	126.7	3.8	112.5	I38 S39 Q40 R45 S46 E80 E103 D107	I38-R42 VanDerWaalsContact CG2-NH2 3.3Å; I38-R42 WeakPolarHBondContact O-CB 3.32Å; I38-R42 PolarHBondContact O-N 3.5Å; S39-R42 WeakPolarHBondContact O-CB 3.18Å; S39-R42 PolarHBondContact O-N 3.3Å; Q40-R42 VanDerWaalsContact C-N 3.28Å; Q40-R42 PolarHBondContact O-N 2.91Å; R42-R45 VanDerWaalsContact CA-NH1 3.31Å; R42-R45 PolarHBondContact O-N 2.77Å; R42-S46 WeakPolarHBondContact O-CB 3.45Å; R42-S46 PolarHBondContact O-N 3.02Å; R42-E80 IonicContact CZ-OE1 3.39Å; R42-E80 VanDerWaalsContact CZ-OE1 3.28Å; R42-E80 IonicContact NE-OE1 3.7Å; R42-E80 PolarHBondContact NE-OE1 3.3Å; R42-E80 IonicContact NE-OE2 2.79Å; R42-E80 PolarHBondContact NE-OE2 3.07Å; R42-E80 VanDerWaalsContact NE-OE2 3.1Å; R42-E80 IonicContact NH2-OE1 2.75Å; R42-E80 PolarHBondContact NH2-OE1 3.03Å; R42-E103 WeakPolarHBondContact CD-OE1 3.48Å; R42-E103 IonicContact CZ-OE1 2.77Å; R42-E103 IonicContact CZ-OE2 3.1Å; R42-E103 IonicContact NE-OE1 3.53Å; R42-E103 PolarHBondContact NE-OE1 3.03Å; R42-E103 VanDerWaalsContact NE-OE1 3.17Å; R42-E103 IonicContact NE-OE2 3.98Å; R42-E103 IonicContact NH1-OE1 3.86Å; R42-E103 IonicContact NH1-OE2 3.33Å; R42-E103 PolarHBondContact NH1-OE2 3.24Å; R42-E103 IonicContact NH2-OE1 3.59Å; R42-D107 IonicContact CZ-OD2 2.92Å; R42-D107 IonicContact NH1-OD2 2.75Å; R42-D107 PolarHBondContact NH1-OD2 2.82Å; R42-D107 VanDerWaalsContact NH2-CG 3.26Å; R42-D107 IonicContact NH2-OD1 2.93Å; R42-D107 PolarHBondContact NH2-OD1 3.12Å; R42-D107 IonicContact NH2-OD2 3.28Å; R42-D107 PolarHBondContact NH2-OD2 3.45Å
43	L	92	Very high	88.4	Confident	11 Å²	11	49.5 Å²	49.5	6%	0.058	25%	0.252	C	S	.	.	H	α-helix	trans	-61.4	-54	174.1	176	53	0	0	0	111.5	S39 Q40 R45 S46 I47 C136 K140	S39-L43 WeakPolarHBondContact O-CB 3.48Å; S39-L43 PolarHBondContact O-N 3.37Å; Q40-L43 WeakPolarHBondContact O-CB 3.49Å; Q40-L43 PolarHBondContact O-N 3.06Å; L43-R45 VanDerWaalsContact C-N 3.32Å; L43-R45 PolarHBondContact O-N 3.02Å; L43-S46 PolarHBondContact O-N 2.62Å; L43-S46 PolarHBondContact O-OG 2.61Å; L43-I47 HydrophobicContact CD1-CD1 3.94Å; L43-I47 HydrophobicContact CD1-CG1 4.41Å; L43-I47 HydrophobicContact CG-CD1 4.14Å; L43-I47 WeakPolarHBondContact O-CG1 3.36Å; L43-I47 PolarHBondContact O-N 2.81Å; L43-C136 HydrophobicContact CD2-CB 3.49Å; L43-C136 VanDerWaalsContact CD2-CB 3.49Å; L43-C136 HydrophobicContact CG-CB 3.8Å; L43-K140 HydrophobicContact CD1-CB 3.37Å; L43-K140 HydrophobicContact CD1-CD 3.33Å; L43-K140 HydrophobicContact CD1-CG 3.3Å; L43-K140 HydrophobicContact CD2-CB 4.33Å
44	A	95.3	Very high	90.9	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-52.8	-48.3	174.7	0	0	0	0	0	111.9	Q40 S46 I47 L48 L127 L134	Q40-A44 WeakPolarHBondContact O-CB 3.37Å; Q40-A44 PolarHBondContact O-N 2.94Å; A44-S46 VanDerWaalsContact C-N 3.32Å; A44-S46 PolarHBondContact O-N 3.43Å; A44-I47 PolarHBondContact O-N 3.04Å; A44-L48 WeakPolarHBondContact O-CG 3.47Å; A44-L48 PolarHBondContact O-N 3.42Å; A44-L127 HydrophobicContact CB-CB 3.85Å; A44-L127 WeakPolarHBondContact CB-O 3.35Å; A44-L134 HydrophobicContact CB-CD1 3.67Å
45	R	95.9	Very high	92.8	Very high	32 Å²	32	42.1 Å²	42.1	12%	0.121	22%	0.216	C	C	.	.	H	α-helix	trans	-58.8	-42.1	176.3	-171.5	-174.6	-56.7	95.6	10.2	112.5	S41 R42 L43 I47 L48 N49 D74 E80 L127	S41-R45 VanDerWaalsContact O-CB 3.28Å; S41-R45 WeakPolarHBondContact O-CB 3.34Å; S41-R45 PolarHBondContact O-N 2.95Å; R42-R45 VanDerWaalsContact CA-NH1 3.31Å; R42-R45 PolarHBondContact O-N 2.77Å; L43-R45 VanDerWaalsContact C-N 3.32Å; L43-R45 PolarHBondContact O-N 3.02Å; R45-I47 VanDerWaalsContact C-N 3.31Å; R45-I47 PolarHBondContact O-N 2.92Å; R45-L48 PolarHBondContact O-N 3.04Å; R45-N49 WeakPolarHBondContact O-CB 3.38Å; R45-N49 PolarHBondContact O-N 2.86Å; R45-N49 PolarHBondContact O-ND2 2.91Å; R45-D74 IonicContact CZ-OD1 2.83Å; R45-D74 IonicContact CZ-OD2 3.54Å; R45-D74 IonicContact NE-OD2 3.84Å; R45-D74 PolarHBondContact NE-OD2 3.45Å; R45-D74 IonicContact NH2-OD1 3.29Å; R45-D74 PolarHBondContact NH2-OD1 3.35Å; R45-D74 IonicContact NH2-OD2 3.17Å; R45-D74 PolarHBondContact NH2-OD2 2.96Å; R45-E80 IonicContact NH1-OE2 3.46Å; R45-L127 HydrophobicContact CB-CD1 3.82Å; R45-L127 HydrophobicContact CG-CD1 4.32Å
46	S	93.6	Very high	93.9	Very high	29 Å²	29	34.1 Å²	34.1	20%	0.203	18%	0.181	C	C	.	.	H	α-helix	trans	-63.8	-39	178.9	72.2	0	0	0	0	112	R42 L43 A44 N49 E50 K140	R42-S46 WeakPolarHBondContact O-CB 3.45Å; R42-S46 PolarHBondContact O-N 3.02Å; L43-S46 PolarHBondContact O-N 2.62Å; L43-S46 PolarHBondContact O-OG 2.61Å; A44-S46 VanDerWaalsContact C-N 3.32Å; A44-S46 PolarHBondContact O-N 3.43Å; S46-N49 PolarHBondContact O-N 3.43Å; S46-E50 VanDerWaalsContact O-CB 3.32Å; S46-E50 WeakPolarHBondContact O-CB 3.28Å; S46-E50 PolarHBondContact O-N 3.5Å; S46-K140 VanDerWaalsContact CB-NZ 3.31Å; S46-K140 WeakPolarHBondContact OG-CE 3.33Å; S46-K140 PolarHBondContact OG-NZ 2.92Å
47	I	92.9	Very high	94.3	Very high	3 Å²	3	41.8 Å²	41.8	2%	0.015	21%	0.212	C	C	.	.	H	α-helix	trans	-66.8	-42.7	175.3	-65.1	160.3	0	0	0	110.6	L43 A44 R45 N49 E50 I51 L134 C136 L139	L43-I47 HydrophobicContact CD1-CD1 3.94Å; L43-I47 HydrophobicContact CD1-CG1 4.41Å; L43-I47 HydrophobicContact CG-CD1 4.14Å; L43-I47 WeakPolarHBondContact O-CG1 3.36Å; L43-I47 PolarHBondContact O-N 2.81Å; A44-I47 PolarHBondContact O-N 3.04Å; R45-I47 VanDerWaalsContact C-N 3.31Å; R45-I47 PolarHBondContact O-N 2.92Å; I47-N49 VanDerWaalsContact C-N 3.32Å; I47-N49 PolarHBondContact O-N 3.36Å; I47-E50 PolarHBondContact O-N 2.98Å; I47-I51 HydrophobicContact CG2-CD1 3.94Å; I47-I51 HydrophobicContact CG2-CG1 4.41Å; I47-I51 WeakPolarHBondContact O-CB 3.44Å; I47-I51 PolarHBondContact O-N 2.96Å; I47-L134 HydrophobicContact CD1-CB 4.38Å; I47-L134 HydrophobicContact CG2-CB 4.25Å; I47-L134 HydrophobicContact CG2-CD2 4.35Å; I47-C136 HydrophobicContact CD1-CB 4.46Å; I47-L139 HydrophobicContact CD1-CB 4.23Å; I47-L139 HydrophobicContact CD1-CD1 4.02Å; I47-L139 HydrophobicContact CG1-CD1 4.05Å; I47-L139 HydrophobicContact CG2-CD1 3.91Å
48	L	95.9	Very high	94.5	Very high	2 Å²	2	48.2 Å²	48.2	1%	0.01	23%	0.232	C	C	.	.	I	π-helix	trans	-59.4	-42.8	175.1	-68.7	174.9	0	0	0	112.2	A44 R45 E50 V52 F53 F69 L127 L134	A44-L48 WeakPolarHBondContact O-CG 3.47Å; A44-L48 PolarHBondContact O-N 3.42Å; R45-L48 PolarHBondContact O-N 3.04Å; L48-E50 VanDerWaalsContact C-N 3.34Å; L48-V52 HydrophobicContact CD2-CB 3.94Å; L48-V52 HydrophobicContact CD2-CG1 4.33Å; L48-V52 HydrophobicContact CD2-CG2 3.6Å; L48-V52 PolarHBondContact O-N 2.95Å; L48-F53 HydrophobicContact CB-CD2 4.5Å; L48-F53 HydrophobicContact CB-CE1 4.42Å; L48-F53 HydrophobicContact CB-CE2 3.93Å; L48-F53 HydrophobicContact CB-CZ 3.89Å; L48-F53 HydrophobicContact CD1-CZ 4.38Å; L48-F53 PolarHBondContact O-N 3.3Å; L48-F69 HydrophobicContact CD1-CB 3.99Å; L48-F69 HydrophobicContact CD1-CD1 4.04Å; L48-F69 HydrophobicContact CD1-CG 4.11Å; L48-F69 HydrophobicContact CD2-CB 4Å; L48-F69 HydrophobicContact CD2-CD1 4.07Å; L48-F69 HydrophobicContact CD2-CD2 3.71Å; L48-F69 HydrophobicContact CD2-CE1 4.48Å; L48-F69 HydrophobicContact CD2-CE2 4.15Å; L48-F69 HydrophobicContact CD2-CG 3.67Å; L48-L127 HydrophobicContact CD1-CD1 4.24Å; L48-L127 HydrophobicContact CD1-CD2 3.93Å; L48-L134 HydrophobicContact CD1-CD1 4.46Å; L48-L134 HydrophobicContact CD2-CD1 4.07Å; L48-L134 HydrophobicContact CD2-CD2 3.82Å; L48-L134 HydrophobicContact CG-CD1 4Å
49	N	95.3	Very high	94.7	Very high	89 Å²	89	47.4 Å²	47.4	48%	0.476	23%	0.229	S	C	.	.	I	π-helix	trans	-68.1	-32	177.5	-75.1	-37.5	0	0	0	113.4	R45 S46 I47 F53 P54	R45-N49 WeakPolarHBondContact O-CB 3.38Å; R45-N49 PolarHBondContact O-N 2.86Å; R45-N49 PolarHBondContact O-ND2 2.91Å; S46-N49 PolarHBondContact O-N 3.43Å; I47-N49 VanDerWaalsContact C-N 3.32Å; I47-N49 PolarHBondContact O-N 3.36Å; N49-F53 HydrophobicContact CB-CD2 4.5Å; N49-F53 WeakPolarHBondContact OD1-CD2 3.38Å; N49-F53 VanDerWaalsContact OD1-CE2 3.26Å; N49-F53 WeakPolarHBondContact OD1-CE2 3.07Å; N49-P54 VanDerWaalsContact O-CD 3.28Å; N49-P54 WeakPolarHBondContact O-CD 3.34Å; N49-P54 VanDerWaalsContact O-CG 3.31Å; N49-P54 WeakPolarHBondContact O-CG 3.48Å
50	E	92.5	Very high	94.8	Very high	124 Å²	124	48.2 Å²	48.2	58%	0.579	25%	0.245	S	C	*	.	I	π-helix	trans	-84.9	-35.8	-177.6	-174.8	174.7	167.9	0	0	112.6	S46 I47 L48 P54	S46-E50 VanDerWaalsContact O-CB 3.32Å; S46-E50 WeakPolarHBondContact O-CB 3.28Å; S46-E50 PolarHBondContact O-N 3.5Å; I47-E50 PolarHBondContact O-N 2.98Å; L48-E50 VanDerWaalsContact C-N 3.34Å; E50-P54 WeakPolarHBondContact O-CG 3.37Å
51	I	92.3	Very high	95	Very high	36 Å²	36	45.5 Å²	45.5	19%	0.185	23%	0.234	C	C	.	.	I	π-helix	trans	-112.8	-54.7	-170.4	-56.9	-174.1	0	0	0	111.4	I47 L55 L139 T194 L195	I47-I51 HydrophobicContact CG2-CD1 3.94Å; I47-I51 HydrophobicContact CG2-CG1 4.41Å; I47-I51 WeakPolarHBondContact O-CB 3.44Å; I47-I51 PolarHBondContact O-N 2.96Å; I51-L55 WeakPolarHBondContact O-CD1 3.44Å; I51-L55 VanDerWaalsContact O-CG 3.32Å; I51-L55 WeakPolarHBondContact O-CG 3.42Å; I51-L139 HydrophobicContact CD1-CD1 4.12Å; I51-T194 HydrophobicContact CG2-CG2 3.36Å; I51-L195 HydrophobicContact CG2-CD2 4.17Å
52	V	95.5	Very high	94.9	Very high	3 Å²	3	49.4 Å²	49.4	2%	0.018	27%	0.266	C	S	.	.	I	π-helix	trans	-78.4	-55.9	-166.2	-178.8	0	0	0	0	112.1	L48 L55 F56 L191 L195	L48-V52 HydrophobicContact CD2-CB 3.94Å; L48-V52 HydrophobicContact CD2-CG1 4.33Å; L48-V52 HydrophobicContact CD2-CG2 3.6Å; L48-V52 PolarHBondContact O-N 2.95Å; V52-L55 WeakPolarHBondContact O-CB 3.38Å; V52-L55 PolarHBondContact O-N 3.22Å; V52-L55 VanDerWaalsContact O-N 3.12Å; V52-F56 HydrophobicContact CG1-CD2 4.16Å; V52-F56 HydrophobicContact CG1-CE2 3.88Å; V52-F56 WeakPolarHBondContact O-CD2 3.31Å; V52-F56 PolarHBondContact O-N 3.49Å; V52-L191 HydrophobicContact CB-CD2 4.49Å; V52-L191 HydrophobicContact CG1-CD2 3.96Å; V52-L195 HydrophobicContact CG2-CD1 3.79Å; V52-L195 HydrophobicContact CG2-CD2 4.21Å
53	F	96.9	Very high	95	Very high	42 Å²	42	49.3 Å²	49.3	18%	0.184	27%	0.267	C	S	.	.	H	α-helix	trans	-64.7	-33.9	-175.7	-55.9	-32.1	0	0	0	114.2	L48 N49 L55 F56 K57 M63 F69 P71	L48-F53 HydrophobicContact CB-CD2 4.5Å; L48-F53 HydrophobicContact CB-CE1 4.42Å; L48-F53 HydrophobicContact CB-CE2 3.93Å; L48-F53 HydrophobicContact CB-CZ 3.89Å; L48-F53 HydrophobicContact CD1-CZ 4.38Å; L48-F53 PolarHBondContact O-N 3.3Å; N49-F53 HydrophobicContact CB-CD2 4.5Å; N49-F53 WeakPolarHBondContact OD1-CD2 3.38Å; N49-F53 VanDerWaalsContact OD1-CE2 3.26Å; N49-F53 WeakPolarHBondContact OD1-CE2 3.07Å; F53-L55 VanDerWaalsContact C-N 3.25Å; F53-L55 PolarHBondContact O-N 2.96Å; F53-F56 PolarHBondContact O-N 2.91Å; F53-K57 PolarHBondContact O-N 3.34Å; F53-M63 HydrophobicContact CD1-CE 3.56Å; F53-M63 HydrophobicContact CE1-CE 3.5Å; F53-M63 VanDerWaalsContact CE1-CE 3.5Å; F53-M63 HydrophobicContact CE1-SD 4.25Å; F53-F69 WeakPolarHBondContact CZ-O 3.38Å; F53-P71 HydrophobicContact CE2-CG 4.32Å; F53-P71 HydrophobicContact CZ-CG 4.03Å
54	P	96.9	Very high	95.2	Very high	57 Å²	57	51.4 Å²	51.4	37%	0.37	28%	0.278	S	S	.	.	H	α-helix	trans	-59	-33.7	171.7	-29.8	39.9	0	0	0	113.6	N49 E50 K57 Y58	N49-P54 VanDerWaalsContact O-CD 3.28Å; N49-P54 WeakPolarHBondContact O-CD 3.34Å; N49-P54 VanDerWaalsContact O-CG 3.31Å; N49-P54 WeakPolarHBondContact O-CG 3.48Å; E50-P54 WeakPolarHBondContact O-CG 3.37Å; P54-K57 PolarHBondContact O-N 2.9Å; P54-Y58 VanDerWaalsContact O-CB 3.25Å; P54-Y58 WeakPolarHBondContact O-CB 3.16Å; P54-Y58 PolarHBondContact O-N 3.12Å
55	L	96.2	Very high	95	Very high	31 Å²	31	56.9 Å²	56.9	16%	0.162	30%	0.304	C	S	.	.	H	α-helix	trans	-70.2	-39.2	177.2	-62.8	172.8	0	0	0	112.2	I51 V52 F53 Y58 T59 L187 L190 L191	I51-L55 WeakPolarHBondContact O-CD1 3.44Å; I51-L55 VanDerWaalsContact O-CG 3.32Å; I51-L55 WeakPolarHBondContact O-CG 3.42Å; V52-L55 WeakPolarHBondContact O-CB 3.38Å; V52-L55 PolarHBondContact O-N 3.22Å; V52-L55 VanDerWaalsContact O-N 3.12Å; F53-L55 VanDerWaalsContact C-N 3.25Å; F53-L55 PolarHBondContact O-N 2.96Å; L55-Y58 PolarHBondContact O-N 3.46Å; L55-T59 PolarHBondContact O-N 3.38Å; L55-T59 PolarHBondContact O-OG1 2.77Å; L55-L187 HydrophobicContact CB-CD1 3.9Å; L55-L190 HydrophobicContact CD1-CB 4.35Å; L55-L190 HydrophobicContact CD2-CB 4.26Å; L55-L190 HydrophobicContact CD2-CD1 4.25Å; L55-L191 HydrophobicContact CB-CD2 4.45Å; L55-L191 HydrophobicContact CD1-CD2 3.68Å; L55-L191 HydrophobicContact CD1-CG 4.23Å
56	F	97	Very high	94.9	Very high	15 Å²	15	61.6 Å²	61.6	7%	0.066	33%	0.331	C	S	.	.	H	α-helix	trans	-61.2	-45.5	170.7	-80.7	-92.1	0	0	0	111.1	V52 F53 Y58 T59 G60 V61 M63 C175 L187 L191	V52-F56 HydrophobicContact CG1-CD2 4.16Å; V52-F56 HydrophobicContact CG1-CE2 3.88Å; V52-F56 WeakPolarHBondContact O-CD2 3.31Å; V52-F56 PolarHBondContact O-N 3.49Å; F53-F56 PolarHBondContact O-N 2.91Å; F56-Y58 VanDerWaalsContact C-N 3.35Å; F56-Y58 PolarHBondContact O-N 3.43Å; F56-T59 PolarHBondContact O-N 3.05Å; F56-T59 PolarHBondContact O-OG1 3.29Å; F56-G60 PolarHBondContact O-N 3.43Å; F56-V61 WeakPolarHBondContact CD1-O 3.42Å; F56-V61 PolarHBondContact O-N 3.34Å; F56-M63 HydrophobicContact CD1-CB 3.94Å; F56-M63 HydrophobicContact CD1-CE 4.32Å; F56-M63 HydrophobicContact CD2-CE 3.65Å; F56-M63 HydrophobicContact CE1-CB 3.78Å; F56-M63 HydrophobicContact CE1-CE 4.15Å; F56-M63 HydrophobicContact CE1-CG 4.09Å; F56-M63 HydrophobicContact CE2-CE 3.46Å; F56-M63 VanDerWaalsContact CE2-CE 3.46Å; F56-M63 HydrophobicContact CG-CE 4.1Å; F56-M63 HydrophobicContact CZ-CB 4.36Å; F56-M63 HydrophobicContact CZ-CE 3.73Å; F56-M63 HydrophobicContact CZ-CG 4.22Å; F56-C175 HydrophobicContact CZ-CB 4.14Å; F56-L187 HydrophobicContact CD1-CD2 3.59Å; F56-L187 HydrophobicContact CD2-CD1 4.41Å; F56-L187 HydrophobicContact CD2-CD2 4.49Å; F56-L187 HydrophobicContact CE1-CD2 3.5Å; F56-L187 VanDerWaalsContact CE1-CD2 3.5Å; F56-L187 HydrophobicContact CE2-CD2 4.41Å; F56-L187 HydrophobicContact CG-CD1 4.47Å; F56-L187 HydrophobicContact CG-CD2 4.1Å; F56-L187 HydrophobicContact CZ-CD2 3.93Å; F56-L191 HydrophobicContact CE2-CD1 3.7Å; F56-L191 HydrophobicContact CZ-CD1 4.02Å
57	K	96.6	Very high	95	Very high	184 Å²	184	60.2 Å²	60.2	80%	0.8	32%	0.321	S	S	*	.	H	α-helix	trans	-62.9	-41	177.2	-175	179.8	178.1	-177.6	0	112.2	F53 P54 G60	F53-K57 PolarHBondContact O-N 3.34Å; P54-K57 PolarHBondContact O-N 2.9Å; K57-G60 PolarHBondContact O-N 2.86Å
58	Y	96.3	Very high	95.2	Very high	166 Å²	166	60.6 Å²	60.6	65%	0.651	32%	0.324	S	S	*	.	H	α-helix	trans	-64.7	-42.4	-180	174	-104.7	0	0	0	112.3	P54 L55 F56 L190	P54-Y58 VanDerWaalsContact O-CB 3.25Å; P54-Y58 WeakPolarHBondContact O-CB 3.16Å; P54-Y58 PolarHBondContact O-N 3.12Å; L55-Y58 PolarHBondContact O-N 3.46Å; F56-Y58 VanDerWaalsContact C-N 3.35Å; F56-Y58 PolarHBondContact O-N 3.43Å; Y58-L190 HydrophobicContact CD1-CD1 4.16Å; Y58-L190 HydrophobicContact CE1-CD1 4.27Å
59	T	95.3	Very high	95.2	Very high	16 Å²	16	60.8 Å²	60.8	10%	0.098	33%	0.325	C	S	.	.	H	α-helix	trans	-84.1	-14.4	-179.7	55.2	0	0	0	0	113.7	L55 F56 V61 Q186 L187 L190	L55-T59 PolarHBondContact O-N 3.38Å; L55-T59 PolarHBondContact O-OG1 2.77Å; F56-T59 PolarHBondContact O-N 3.05Å; F56-T59 PolarHBondContact O-OG1 3.29Å; T59-V61 PolarHBondContact O-N 3.49Å; T59-Q186 HydrophobicContact CG2-CG 4.47Å; T59-L187 HydrophobicContact CG2-CB 3.93Å; T59-L187 HydrophobicContact CG2-CD1 4.28Å; T59-L190 HydrophobicContact CG2-CD1 4.08Å
60	G	94.8	Very high	95.2	Very high	67 Å²	67	58 Å²	58	69%	0.691	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	72	8.4	-178	0	0	0	0	0	114.2	F56 K57	F56-G60 PolarHBondContact O-N 3.43Å; K57-G60 PolarHBondContact O-N 2.86Å
61	V	94.7	Very high	95.4	Very high	16 Å²	16	55.4 Å²	55.4	10%	0.097	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-79.3	133.7	178.4	178.1	0	0	0	0	109.3	F56 T59 P177 L187	F56-V61 WeakPolarHBondContact CD1-O 3.42Å; F56-V61 PolarHBondContact O-N 3.34Å; T59-V61 PolarHBondContact O-N 3.49Å; V61-P177 HydrophobicContact CG1-CG 3.69Å; V61-L187 HydrophobicContact CB-CD2 3.75Å; V61-L187 HydrophobicContact CG1-CD2 3.87Å; V61-L187 HydrophobicContact CG2-CB 4.5Å; V61-L187 HydrophobicContact CG2-CD2 4.24Å
62	A	94	Very high	95.4	Very high	81 Å²	81	59.2 Å²	59.2	67%	0.669	32%	0.318	S	S	*	.	P	Polyproline II helix	trans	-77	133.8	174	0	0	0	0	0	110.7
63	M	95.2	Very high	95.4	Very high	32 Å²	32	61.3 Å²	61.3	16%	0.158	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-67.7	132.3	173.8	-175.5	176.1	-66.3	0	0	110.5	F53 F56 C67 H70	F53-M63 HydrophobicContact CD1-CE 3.56Å; F53-M63 HydrophobicContact CE1-CE 3.5Å; F53-M63 VanDerWaalsContact CE1-CE 3.5Å; F53-M63 HydrophobicContact CE1-SD 4.25Å; F56-M63 HydrophobicContact CD1-CB 3.94Å; F56-M63 HydrophobicContact CD1-CE 4.32Å; F56-M63 HydrophobicContact CD2-CE 3.65Å; F56-M63 HydrophobicContact CE1-CB 3.78Å; F56-M63 HydrophobicContact CE1-CE 4.15Å; F56-M63 HydrophobicContact CE1-CG 4.09Å; F56-M63 HydrophobicContact CE2-CE 3.46Å; F56-M63 VanDerWaalsContact CE2-CE 3.46Å; F56-M63 HydrophobicContact CG-CE 4.1Å; F56-M63 HydrophobicContact CZ-CB 4.36Å; F56-M63 HydrophobicContact CZ-CE 3.73Å; F56-M63 HydrophobicContact CZ-CG 4.22Å; M63-C67 HydrophobicContact CG-CB 3.74Å; M63-C67 HydrophobicContact SD-CB 3.95Å; M63-H70 HydrophobicContact SD-CB 4.03Å
64	N	95.1	Very high	95.4	Very high	55 Å²	55	59.7 Å²	59.7	29%	0.294	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-65.1	138.4	175.2	-175.3	-7.3	0	0	0	110.7	L66 C67 K174 C175	N64-L66 PolarHBondContact O-N 3.45Å; N64-L66 PolarHBondContact OD1-N 3.34Å; N64-L66 VanDerWaalsContact OD1-N 3.07Å; N64-C67 WeakPolarHBondContact O-CB 3.28Å; N64-C67 PolarHBondContact O-N 3.44Å; N64-K174 VanDerWaalsContact CB-O 3.27Å; N64-K174 WeakPolarHBondContact CB-O 3.42Å; N64-K174 PolarHBondContact ND2-O 2.9Å; N64-C175 WeakPolarHBondContact CB-O 3.4Å; N64-C175 PolarHBondContact N-O 3.29Å
65	E	92.8	Very high	95.2	Very high	114 Å²	114	58.5 Å²	58.5	53%	0.533	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-18.6	176.9	-61.9	-158.8	142.5	0	0	112.9	C67 K72 H73	E65-C67 PolarHBondContact O-N 2.86Å; E65-K72 IonicContact OE1-NZ 2.69Å; E65-K72 PolarHBondContact OE1-NZ 2.97Å; E65-H73 PolarHBondContact O-NE2 2.77Å
66	L	92.8	Very high	95.2	Very high	131 Å²	131	58.1 Å²	58.1	69%	0.686	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-8.9	172.9	-61.1	175.6	0	0	0	113.5	N64	N64-L66 PolarHBondContact O-N 3.45Å; N64-L66 PolarHBondContact OD1-N 3.34Å; N64-L66 VanDerWaalsContact OD1-N 3.07Å
67	C	96.3	Very high	95.1	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	31%	0.311	C	S	.	.			trans	-65.4	124.3	178.7	-174.7	0	0	0	0	110.9	M63 N64 E65 F69 H70 H73 C175	M63-C67 HydrophobicContact CG-CB 3.74Å; M63-C67 HydrophobicContact SD-CB 3.95Å; N64-C67 WeakPolarHBondContact O-CB 3.28Å; N64-C67 PolarHBondContact O-N 3.44Å; E65-C67 PolarHBondContact O-N 2.86Å; C67-F69 PolarHBondContact O-N 3.26Å; C67-H70 HydrophobicContact CB-CB 4.25Å; C67-H70 WeakPolarHBondContact O-CB 3.32Å; C67-H70 PolarHBondContact O-N 2.98Å; C67-H73 PolarHBondContact O-CD2 3.09Å; C67-H73 VanDerWaalsContact O-CD2 3.25Å; C67-C175 HydrophobicContact CB-CB 3.73Å; C67-C175 WeakPolarHBondContact CB-SG 3.47Å; C67-C175 WeakPolarHBondContact SG-CB 3.49Å; C67-C175 CovalentContact SG-SG 2.03Å; C67-C175 PolarHBondContact SG-SG 2.8Å
68	P	95.9	Very high	95	Very high	12 Å²	12	51.3 Å²	51.3	8%	0.078	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-24.8	176.4	24.6	-33.1	0	0	0	113.2	H70 I125 Y130 I171	P68-H70 PolarHBondContact O-N 3.32Å; P68-I125 HydrophobicContact CB-CD1 4.5Å; P68-I125 HydrophobicContact CB-CG2 4.43Å; P68-Y130 HydrophobicContact CB-CE1 4.21Å; P68-Y130 HydrophobicContact CB-CE2 4.38Å; P68-Y130 VanDerWaalsContact CB-OH 3.31Å; P68-Y130 WeakPolarHBondContact CB-OH 3.45Å; P68-Y130 HydrophobicContact CG-CE1 4.2Å; P68-I171 HydrophobicContact CG-CG1 4.07Å; P68-I171 HydrophobicContact CG-CG2 3.83Å
69	F	96.7	Very high	94.9	Very high	5 Å²	5	43.4 Å²	43.4	2%	0.022	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-1.3	176.1	-56.6	-29	0	0	0	113.9	L48 F53 C67 L127 Y130 L133 L134 I171	L48-F69 HydrophobicContact CD1-CB 3.99Å; L48-F69 HydrophobicContact CD1-CD1 4.04Å; L48-F69 HydrophobicContact CD1-CG 4.11Å; L48-F69 HydrophobicContact CD2-CB 4Å; L48-F69 HydrophobicContact CD2-CD1 4.07Å; L48-F69 HydrophobicContact CD2-CD2 3.71Å; L48-F69 HydrophobicContact CD2-CE1 4.48Å; L48-F69 HydrophobicContact CD2-CE2 4.15Å; L48-F69 HydrophobicContact CD2-CG 3.67Å; F53-F69 WeakPolarHBondContact CZ-O 3.38Å; C67-F69 PolarHBondContact O-N 3.26Å; F69-L127 HydrophobicContact CD1-CD2 4.43Å; F69-Y130 AromaticContact CE1-CD1 3.63Å; F69-Y130 HydrophobicContact CE1-CD1 3.63Å; F69-Y130 HydrophobicContact CE1-CD2 4.22Å; F69-Y130 HydrophobicContact CE1-CE1 4.25Å; F69-Y130 AromaticContact CE1-CG 3.6Å; F69-Y130 HydrophobicContact CE1-CG 3.6Å; F69-Y130 HydrophobicContact CZ-CD1 4.11Å; F69-Y130 HydrophobicContact CZ-CG 4.38Å; F69-L133 HydrophobicContact CE2-CD2 4.46Å; F69-L133 HydrophobicContact CZ-CD1 4.44Å; F69-L133 HydrophobicContact CZ-CD2 4.01Å; F69-L134 HydrophobicContact CZ-CD2 4.3Å; F69-I171 HydrophobicContact CD2-CG2 3.95Å; F69-I171 HydrophobicContact CE2-CG2 3.51Å; F69-I171 HydrophobicContact CZ-CD1 4.36Å; F69-I171 HydrophobicContact CZ-CG2 3.82Å
70	H	96.4	Very high	94.9	Very high	30 Å²	30	44.2 Å²	44.2	14%	0.139	25%	0.254	C	S	.	.	S	Bend	trans	-62.8	130.2	179.1	-167.2	-82.7	0	0	0	110.3	M63 C67 P68 K72 H73	M63-H70 HydrophobicContact SD-CB 4.03Å; C67-H70 HydrophobicContact CB-CB 4.25Å; C67-H70 WeakPolarHBondContact O-CB 3.32Å; C67-H70 PolarHBondContact O-N 2.98Å; P68-H70 PolarHBondContact O-N 3.32Å; H70-K72 VanDerWaalsContact CE1-CG 3.49Å; H70-K72 WeakPolarHBondContact CE1-CG 3.49Å; H70-K72 WeakPolarHBondContact ND1-CB 3.4Å; H70-K72 PolarHBondContact ND1-N 3.49Å; H70-K72 PolarHBondContact O-N 3.42Å; H70-H73 PolarHBondContact O-N 2.95Å
71	P	94.8	Very high	94.9	Very high	71 Å²	71	47.2 Å²	47.2	46%	0.461	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-22.9	-174.9	-28.9	35	0	0	0	115.3	F53 H73	F53-P71 HydrophobicContact CE2-CG 4.32Å; F53-P71 HydrophobicContact CZ-CG 4.03Å; P71-H73 PolarHBondContact O-N 3.18Å
72	K	94	Very high	95	Very high	116 Å²	116	47.1 Å²	47.1	50%	0.504	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-23.5	175.3	-71.4	177.1	-175.7	177.4	0	113.4	E65 H70 R123	E65-K72 IonicContact OE1-NZ 2.69Å; E65-K72 PolarHBondContact OE1-NZ 2.97Å; H70-K72 VanDerWaalsContact CE1-CG 3.49Å; H70-K72 WeakPolarHBondContact CE1-CG 3.49Å; H70-K72 WeakPolarHBondContact ND1-CB 3.4Å; H70-K72 PolarHBondContact ND1-N 3.49Å; H70-K72 PolarHBondContact O-N 3.42Å; K72-R123 VanDerWaalsContact O-CD 3.32Å; K72-R123 WeakPolarHBondContact O-CD 3.2Å; K72-R123 WeakPolarHBondContact O-CG 3.06Å
73	H	95.2	Very high	95.1	Very high	46 Å²	46	45 Å²	45	21%	0.213	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	-14.2	-171.1	-59.7	-41.6	0	0	0	114.4	E65 C67 H70 P71 I75 T124 I125	E65-H73 PolarHBondContact O-NE2 2.77Å; C67-H73 PolarHBondContact O-CD2 3.09Å; C67-H73 VanDerWaalsContact O-CD2 3.25Å; H70-H73 PolarHBondContact O-N 2.95Å; P71-H73 PolarHBondContact O-N 3.18Å; H73-I75 PolarHBondContact O-N 3.1Å; H73-T124 PolarHBondContact O-N 3.49Å; H73-I125 HydrophobicContact CB-CB 3.87Å; H73-I125 HydrophobicContact CB-CG1 3.59Å; H73-I125 WeakPolarHBondContact O-CA 3.37Å; H73-I125 WeakPolarHBondContact O-CB 3.45Å; H73-I125 PolarHBondContact O-N 3.32Å
74	D	95.6	Very high	95.2	Very high	9 Å²	9	46.1 Å²	46.1	5%	0.048	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	-68	112	-177.3	167.2	20.9	0	0	0	112.3	R45 Y76 A77 R123 L127	R45-D74 IonicContact CZ-OD1 2.83Å; R45-D74 IonicContact CZ-OD2 3.54Å; R45-D74 IonicContact NE-OD2 3.84Å; R45-D74 PolarHBondContact NE-OD2 3.45Å; R45-D74 IonicContact NH2-OD1 3.29Å; R45-D74 PolarHBondContact NH2-OD1 3.35Å; R45-D74 IonicContact NH2-OD2 3.17Å; R45-D74 PolarHBondContact NH2-OD2 2.96Å; D74-Y76 PolarHBondContact O-N 2.79Å; D74-Y76 VanDerWaalsContact O-N 3.14Å; D74-Y76 PolarHBondContact OD1-N 3.3Å; D74-A77 HydrophobicContact CB-CB 4.26Å; D74-A77 VanDerWaalsContact O-CB 3.28Å; D74-A77 WeakPolarHBondContact O-CB 3.1Å; D74-A77 PolarHBondContact O-N 3.15Å; D74-A77 VanDerWaalsContact O-N 3.09Å; D74-R123 WeakPolarHBondContact O-CD 3.37Å; D74-L127 HydrophobicContact CB-CD1 4.01Å; D74-L127 HydrophobicContact CB-CG 4.28Å
75	I	94.4	Very high	95.2	Very high	31 Å²	31	48.5 Å²	48.5	16%	0.159	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-29	-174.5	71.1	175.3	0	0	0	113.7	C36 H73 R123 T124 I125 C126	C36-I75 HydrophobicContact CB-CD1 3.81Å; C36-I75 VanDerWaalsContact SG-CD1 3.54Å; H73-I75 PolarHBondContact O-N 3.1Å; I75-R123 HydrophobicContact CG2-CB 4.41Å; I75-R123 WeakPolarHBondContact CG2-O 3.49Å; I75-T124 VanDerWaalsContact CG2-C 3.42Å; I75-I125 WeakPolarHBondContact CG2-O 3.47Å; I75-I125 PolarHBondContact N-O 2.65Å; I75-C126 HydrophobicContact CD1-CB 4.28Å
76	Y	95.2	Very high	95.4	Very high	23 Å²	23	46.9 Å²	46.9	9%	0.09	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	8.9	-177.4	-69.7	-58.5	0	0	0	113.1	C36 I38 D74 I78 H79 E80 Y119	C36-Y76 HydrophobicContact CB-CE2 3.9Å; C36-Y76 PolarHBondContact O-OH 3.34Å; C36-Y76 WeakPolarHBondContact SG-CE2 3.48Å; I38-Y76 HydrophobicContact CB-CE2 4.35Å; I38-Y76 HydrophobicContact CD1-CE1 4.13Å; I38-Y76 HydrophobicContact CG1-CD1 4.13Å; I38-Y76 HydrophobicContact CG1-CD2 4.5Å; I38-Y76 HydrophobicContact CG1-CE1 3.59Å; I38-Y76 HydrophobicContact CG1-CE2 3.9Å; I38-Y76 VanDerWaalsContact CG1-CZ 3.49Å; I38-Y76 HydrophobicContact CG2-CD1 4.3Å; I38-Y76 HydrophobicContact CG2-CG 4.38Å; D74-Y76 PolarHBondContact O-N 2.79Å; D74-Y76 VanDerWaalsContact O-N 3.14Å; D74-Y76 PolarHBondContact OD1-N 3.3Å; Y76-I78 PolarHBondContact O-N 3.13Å; Y76-H79 HydrophobicContact CD1-CB 4.07Å; Y76-H79 WeakPolarHBondContact O-CB 3.27Å; Y76-H79 PolarHBondContact O-N 3.2Å; Y76-E80 VanDerWaalsContact O-CG 3.28Å; Y76-E80 WeakPolarHBondContact O-CG 3.05Å; Y76-E80 PolarHBondContact O-N 3.44Å; Y76-Y119 HydrophobicContact CD1-CD1 4.38Å; Y76-Y119 AromaticContact CD1-CE1 3.54Å; Y76-Y119 HydrophobicContact CD1-CE1 3.54Å; Y76-Y119 HydrophobicContact CE1-CD1 4.34Å; Y76-Y119 AromaticContact CE1-CE1 3.35Å; Y76-Y119 HydrophobicContact CE1-CE1 3.35Å; Y76-Y119 AromaticContact CE1-CZ 3.88Å
77	A	94.8	Very high	95.5	Very high	17 Å²	17	43.3 Å²	43.3	14%	0.14	22%	0.219	C	C	.	.	H	α-helix	trans	-58.8	-45.3	-178.7	0	0	0	0	0	112.9	D74 Q81	D74-A77 HydrophobicContact CB-CB 4.26Å; D74-A77 VanDerWaalsContact O-CB 3.28Å; D74-A77 WeakPolarHBondContact O-CB 3.1Å; D74-A77 PolarHBondContact O-N 3.15Å; D74-A77 VanDerWaalsContact O-N 3.09Å; A77-Q81 VanDerWaalsContact O-CG 3.32Å; A77-Q81 WeakPolarHBondContact O-CG 3.34Å; A77-Q81 PolarHBondContact O-N 3.46Å
78	I	94.2	Very high	95.3	Very high	39 Å²	39	48.4 Å²	48.4	20%	0.2	25%	0.246	C	C	.	.	H	α-helix	trans	-74.6	-41.9	178.5	-52.8	176.5	0	0	0	110.6	Y76 E80 Q81 M82	Y76-I78 PolarHBondContact O-N 3.13Å; I78-E80 PolarHBondContact O-N 3.01Å; I78-Q81 WeakPolarHBondContact O-CA 3.36Å; I78-Q81 WeakPolarHBondContact O-CB 3.14Å; I78-Q81 PolarHBondContact O-N 3.16Å; I78-M82 HydrophobicContact CG2-CE 3.5Å; I78-M82 PolarHBondContact O-N 3.18Å; I78-M82 VanDerWaalsContact O-N 3.13Å
79	H	95.3	Very high	95.3	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-46.7	-47.9	173.5	177.8	108.4	0	0	0	111.7	Y76 M82 F106 D107 I110 A118 Y119	Y76-H79 HydrophobicContact CD1-CB 4.07Å; Y76-H79 WeakPolarHBondContact O-CB 3.27Å; Y76-H79 PolarHBondContact O-N 3.2Å; H79-M82 PolarHBondContact O-N 3.27Å; H79-F106 AromaticContact NE2-CE1 3.98Å; H79-D107 IonicContact CD2-OD1 2.69Å; H79-D107 IonicContact CE1-OD1 3.22Å; H79-D107 IonicContact NE2-OD1 2.64Å; H79-D107 PolarHBondContact NE2-OD1 3.45Å; H79-I110 VanDerWaalsContact ND1-CG2 3.25Å; H79-I110 WeakPolarHBondContact ND1-CG2 3.39Å; H79-A118 HydrophobicContact CB-CB 4.39Å; H79-A118 PolarHBondContact N-O 3.22Å; H79-Y119 HydrophobicContact CB-CE1 4.44Å
80	E	95.5	Very high	95.3	Very high	33 Å²	33	56 Å²	56	15%	0.154	28%	0.277	C	S	.	.	H	α-helix	trans	-72.7	-28.4	-179.7	-66.5	-76.1	118.9	0	0	113.4	R42 R45 Y76 I78 M82 K83	R42-E80 IonicContact CZ-OE1 3.39Å; R42-E80 VanDerWaalsContact CZ-OE1 3.28Å; R42-E80 IonicContact NE-OE1 3.7Å; R42-E80 PolarHBondContact NE-OE1 3.3Å; R42-E80 IonicContact NE-OE2 2.79Å; R42-E80 PolarHBondContact NE-OE2 3.07Å; R42-E80 VanDerWaalsContact NE-OE2 3.1Å; R42-E80 IonicContact NH2-OE1 2.75Å; R42-E80 PolarHBondContact NH2-OE1 3.03Å; R45-E80 IonicContact NH1-OE2 3.46Å; Y76-E80 VanDerWaalsContact O-CG 3.28Å; Y76-E80 WeakPolarHBondContact O-CG 3.05Å; Y76-E80 PolarHBondContact O-N 3.44Å; I78-E80 PolarHBondContact O-N 3.01Å; E80-M82 VanDerWaalsContact C-N 3.25Å; E80-M82 PolarHBondContact O-N 3.36Å; E80-K83 VanDerWaalsContact O-CB 3.3Å; E80-K83 WeakPolarHBondContact O-CB 3.26Å; E80-K83 PolarHBondContact O-N 2.69Å; E80-K83 IonicContact OE1-NZ 2.94Å; E80-K83 PolarHBondContact OE1-NZ 2.58Å; E80-K83 IonicContact OE2-NZ 3.9Å; E80-K83 PolarHBondContact OE2-NZ 3.17Å
81	Q	94.8	Very high	95.4	Very high	131 Å²	131	55.6 Å²	55.6	61%	0.612	27%	0.274	S	S	*	.	H	α-helix	trans	-68	-24.5	172.8	-73.8	172.1	-11	0	0	112.6	A77 I78 K83 Q94	A77-Q81 VanDerWaalsContact O-CG 3.32Å; A77-Q81 WeakPolarHBondContact O-CG 3.34Å; A77-Q81 PolarHBondContact O-N 3.46Å; I78-Q81 WeakPolarHBondContact O-CA 3.36Å; I78-Q81 WeakPolarHBondContact O-CB 3.14Å; I78-Q81 PolarHBondContact O-N 3.16Å; Q81-K83 PolarHBondContact O-N 3.23Å; Q81-Q94 PolarHBondContact O-OE1 2.99Å
82	M	95.5	Very high	95.5	Very high	13 Å²	13	54.7 Å²	54.7	6%	0.064	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-1.7	176.1	-61.5	-178	-162.8	0	0	113.4	I78 H79 E80 Q94 M95 I110 H114 N117 A118	I78-M82 HydrophobicContact CG2-CE 3.5Å; I78-M82 PolarHBondContact O-N 3.18Å; I78-M82 VanDerWaalsContact O-N 3.13Å; H79-M82 PolarHBondContact O-N 3.27Å; E80-M82 VanDerWaalsContact C-N 3.25Å; E80-M82 PolarHBondContact O-N 3.36Å; M82-Q94 WeakPolarHBondContact O-CB 3.2Å; M82-Q94 PolarHBondContact O-N 2.93Å; M82-M95 HydrophobicContact CE-CE 3.21Å; M82-M95 HydrophobicContact CG-CE 4.33Å; M82-M95 HydrophobicContact SD-CB 4.4Å; M82-M95 HydrophobicContact SD-CE 3.4Å; M82-M95 WeakPolarHBondContact SD-CE 3.28Å; M82-M95 HydrophobicContact SD-SD 4.31Å; M82-I110 HydrophobicContact CB-CD1 4.27Å; M82-I110 HydrophobicContact SD-CD1 4.16Å; M82-I110 HydrophobicContact SD-CG2 4.49Å; M82-H114 HydrophobicContact SD-CB 4.48Å; M82-N117 VanDerWaalsContact CE-C 3.5Å; M82-N117 HydrophobicContact CE-CB 4.08Å; M82-N117 VanDerWaalsContact CE-O 3.26Å; M82-N117 WeakPolarHBondContact CE-O 3.17Å; M82-A118 HydrophobicContact CE-CB 4.2Å
83	K	96.6	Very high	95.7	Very high	36 Å²	36	49.2 Å²	49.2	16%	0.157	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	129.3	-172.8	-172.5	170.6	60	-173.4	0	111.3	E80 Q81 W91 E103 F106	E80-K83 VanDerWaalsContact O-CB 3.3Å; E80-K83 WeakPolarHBondContact O-CB 3.26Å; E80-K83 PolarHBondContact O-N 2.69Å; E80-K83 IonicContact OE1-NZ 2.94Å; E80-K83 PolarHBondContact OE1-NZ 2.58Å; E80-K83 IonicContact OE2-NZ 3.9Å; E80-K83 PolarHBondContact OE2-NZ 3.17Å; Q81-K83 PolarHBondContact O-N 3.23Å; K83-W91 HydrophobicContact CD-CE3 3.81Å; K83-W91 HydrophobicContact CD-CZ3 3.76Å; K83-W91 HydrophobicContact CG-CE3 3.97Å; K83-W91 HydrophobicContact CG-CZ3 4.3Å; K83-E103 HydrophobicContact CD-CG 4.37Å; K83-E103 IonicContact NZ-OE1 3.87Å; K83-E103 PolarHBondContact NZ-OE1 2.97Å; K83-F106 HydrophobicContact CB-CE1 3.76Å; K83-F106 HydrophobicContact CB-CE2 4.45Å; K83-F106 HydrophobicContact CB-CZ 3.63Å; K83-F106 HydrophobicContact CD-CD1 4.12Å; K83-F106 HydrophobicContact CD-CE1 3.83Å; K83-F106 HydrophobicContact CD-CZ 4.5Å; K83-F106 HydrophobicContact CG-CD1 4.25Å; K83-F106 HydrophobicContact CG-CE1 3.81Å; K83-F106 HydrophobicContact CG-CZ 3.98Å
84	N	96.9	Very high	95.8	Very high	56 Å²	56	52.6 Å²	52.6	30%	0.299	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	107.5	167.2	-176.9	29.8	0	0	0	109.5	I86 W91 E92 Q94	N84-I86 PolarHBondContact O-N 2.98Å; N84-W91 WeakPolarHBondContact O-CA 3.49Å; N84-E92 HydrophobicContact CB-CB 4.11Å; N84-E92 PolarHBondContact N-O 3.02Å; N84-E92 PolarHBondContact ND2-OE2 3Å; N84-E92 PolarHBondContact O-N 3.38Å; N84-Q94 HydrophobicContact CB-CG 3.78Å
85	K	96.4	Very high	95.7	Very high	106 Å²	106	55.9 Å²	55.9	46%	0.461	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	104	174.1	-172.4	-172.7	-177.3	-172.5	0	108.9	S87 D88 W91	K85-S87 WeakPolarHBondContact CE-O 3.32Å; K85-S87 WeakPolarHBondContact CG-O 3.41Å; K85-D88 WeakPolarHBondContact CE-OD1 3.35Å; K85-D88 IonicContact NZ-OD1 2.71Å; K85-D88 PolarHBondContact NZ-OD1 3.16Å; K85-W91 HydrophobicContact CB-CE3 3.78Å; K85-W91 HydrophobicContact CB-CH2 4.26Å; K85-W91 HydrophobicContact CB-CZ3 3.61Å; K85-W91 HydrophobicContact CD-CE3 4.45Å; K85-W91 HydrophobicContact CD-CH2 3.42Å; K85-W91 VanDerWaalsContact CD-CH2 3.42Å; K85-W91 HydrophobicContact CD-CZ2 3.93Å; K85-W91 HydrophobicContact CD-CZ3 3.69Å; K85-W91 HydrophobicContact CG-CD2 4.22Å; K85-W91 HydrophobicContact CG-CE3 3.81Å; K85-W91 HydrophobicContact CG-CH2 3.69Å; K85-W91 HydrophobicContact CG-CZ2 4.04Å; K85-W91 HydrophobicContact CG-CZ3 3.53Å
86	I	95.9	Very high	95.8	Very high	80 Å²	80	57.6 Å²	57.6	41%	0.41	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	-41.8	178.2	-60.1	171.1	0	0	0	110.1	N84 D90 E92	N84-I86 PolarHBondContact O-N 2.98Å; I86-D90 HydrophobicContact CB-CB 4.17Å; I86-D90 WeakPolarHBondContact CG2-OD2 3.49Å; I86-D90 PolarHBondContact N-O 2.03Å; I86-E92 HydrophobicContact CD1-CB 4.2Å
87	S	95.3	Very high	95.9	Very high	55 Å²	55	58.4 Å²	58.4	39%	0.385	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	-178.5	173.6	77.3	0	0	0	0	110.4	K85 Y89 D90	K85-S87 WeakPolarHBondContact CE-O 3.32Å; K85-S87 WeakPolarHBondContact CG-O 3.41Å; S87-Y89 PolarHBondContact O-N 3.29Å; S87-Y89 PolarHBondContact OG-N 2.89Å; S87-D90 PolarHBondContact N-O 3.2Å; S87-D90 PolarHBondContact O-N 3.37Å; S87-D90 WeakPolarHBondContact OG-CB 3.4Å; S87-D90 PolarHBondContact OG-N 3.23Å
88	D	92	Very high	96.1	Very high	108 Å²	108	63 Å²	63	58%	0.578	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-25.1	177.4	-67	-34.5	0	0	0	113.7	K85 W91	K85-D88 WeakPolarHBondContact CE-OD1 3.35Å; K85-D88 IonicContact NZ-OD1 2.71Å; K85-D88 PolarHBondContact NZ-OD1 3.16Å; D88-W91 PolarHBondContact O-NE1 3.42Å
89	Y	95.6	Very high	96.2	Very high	147 Å²	147	67.8 Å²	67.8	58%	0.576	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.7	19	-177.8	-56.7	-70.9	0	0	0	113.2	S87 Y101	S87-Y89 PolarHBondContact O-N 3.29Å; S87-Y89 PolarHBondContact OG-N 2.89Å; Y89-Y101 CarbonylContact C-O 3.46Å; Y89-Y101 VanDerWaalsContact CA-O 3.27Å; Y89-Y101 WeakPolarHBondContact CA-O 3.44Å; Y89-Y101 HydrophobicContact CD1-CD1 4.26Å; Y89-Y101 AromaticContact CD1-CE1 3.48Å; Y89-Y101 HydrophobicContact CD1-CE1 3.48Å; Y89-Y101 VanDerWaalsContact CD1-CE1 3.48Å; Y89-Y101 HydrophobicContact CD1-CE2 4.14Å; Y89-Y101 AromaticContact CD1-CZ 3.4Å; Y89-Y101 VanDerWaalsContact CD1-CZ 3.4Å; Y89-Y101 WeakPolarHBondContact CD1-OH 2.93Å; Y89-Y101 HydrophobicContact CE1-CE1 4.17Å; Y89-Y101 HydrophobicContact CG-CE1 4.21Å; Y89-Y101 HydrophobicContact CG-CE2 4.02Å; Y89-Y101 AromaticContact CG-CZ 3.7Å; Y89-Y101 WeakPolarHBondContact O-CA 3.49Å; Y89-Y101 WeakPolarHBondContact O-CD2 3.3Å
90	D	97.3	Very high	96.4	Very high	30 Å²	30	69 Å²	69	16%	0.16	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	104.5	-170.7	-169.4	9.4	0	0	0	111.1	I86 S87 R99	I86-D90 HydrophobicContact CB-CB 4.17Å; I86-D90 WeakPolarHBondContact CG2-OD2 3.49Å; I86-D90 PolarHBondContact N-O 2.03Å; S87-D90 PolarHBondContact N-O 3.2Å; S87-D90 PolarHBondContact O-N 3.37Å; S87-D90 WeakPolarHBondContact OG-CB 3.4Å; S87-D90 PolarHBondContact OG-N 3.23Å; D90-R99 IonicContact OD1-CZ 2.72Å; D90-R99 IonicContact OD1-NE 3.61Å; D90-R99 PolarHBondContact OD1-NE 3.47Å; D90-R99 IonicContact OD1-NH2 3.17Å; D90-R99 PolarHBondContact OD1-NH2 2.86Å; D90-R99 VanDerWaalsContact OD1-NH2 3.17Å; D90-R99 IonicContact OD2-CZ 3.06Å; D90-R99 IonicContact OD2-NE 2.64Å; D90-R99 IonicContact OD2-NH2 2.58Å; D90-R99 PolarHBondContact OD2-NH2 2.85Å
91	W	97.8	Very high	96.4	Very high	20 Å²	20	74.6 Å²	74.6	8%	0.076	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	124.2	-173.6	-54.3	82.3	0	0	0	108.6	K83 N84 K85 D88 R99 F100 E103 F106	K83-W91 HydrophobicContact CD-CE3 3.81Å; K83-W91 HydrophobicContact CD-CZ3 3.76Å; K83-W91 HydrophobicContact CG-CE3 3.97Å; K83-W91 HydrophobicContact CG-CZ3 4.3Å; N84-W91 WeakPolarHBondContact O-CA 3.49Å; K85-W91 HydrophobicContact CB-CE3 3.78Å; K85-W91 HydrophobicContact CB-CH2 4.26Å; K85-W91 HydrophobicContact CB-CZ3 3.61Å; K85-W91 HydrophobicContact CD-CE3 4.45Å; K85-W91 HydrophobicContact CD-CH2 3.42Å; K85-W91 VanDerWaalsContact CD-CH2 3.42Å; K85-W91 HydrophobicContact CD-CZ2 3.93Å; K85-W91 HydrophobicContact CD-CZ3 3.69Å; K85-W91 HydrophobicContact CG-CD2 4.22Å; K85-W91 HydrophobicContact CG-CE3 3.81Å; K85-W91 HydrophobicContact CG-CH2 3.69Å; K85-W91 HydrophobicContact CG-CZ2 4.04Å; K85-W91 HydrophobicContact CG-CZ3 3.53Å; D88-W91 PolarHBondContact O-NE1 3.42Å; W91-R99 CarbonylContact O-C 3.42Å; W91-R99 VanDerWaalsContact O-CA 3.23Å; W91-R99 WeakPolarHBondContact O-CA 3.29Å; W91-F100 HydrophobicContact CB-CB 4.28Å; W91-F100 PolarHBondContact N-O 3Å; W91-F100 PolarHBondContact O-N 2.95Å; W91-E103 HydrophobicContact CD2-CB 4.1Å; W91-E103 HydrophobicContact CD2-CG 4.38Å; W91-E103 HydrophobicContact CE3-CB 4.28Å; W91-E103 HydrophobicContact CE3-CG 4.08Å; W91-E103 HydrophobicContact CH2-CB 3.87Å; W91-E103 HydrophobicContact CH2-CG 3.88Å; W91-E103 WeakPolarHBondContact CH2-OE1 3.49Å; W91-E103 HydrophobicContact CZ2-CB 3.73Å; W91-E103 HydrophobicContact CZ2-CG 4.26Å; W91-E103 HydrophobicContact CZ3-CB 4.17Å; W91-E103 HydrophobicContact CZ3-CG 3.81Å; W91-E103 VanDerWaalsContact CZ3-OE1 3.32Å; W91-E103 WeakPolarHBondContact CZ3-OE1 3.29Å; W91-F106 HydrophobicContact CB-CB 4.21Å
92	E	98.1	Very high	96.5	Very high	53 Å²	53	71 Å²	71	25%	0.248	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	136.2	-179.8	-177.9	-169.6	161.5	0	0	110.8	N84 I86 Q94 K98 R99	N84-E92 HydrophobicContact CB-CB 4.11Å; N84-E92 PolarHBondContact N-O 3.02Å; N84-E92 PolarHBondContact ND2-OE2 3Å; N84-E92 PolarHBondContact O-N 3.38Å; I86-E92 HydrophobicContact CD1-CB 4.2Å; E92-Q94 PolarHBondContact O-N 3.47Å; E92-K98 WeakPolarHBondContact CA-O 3.32Å; E92-R99 HydrophobicContact CB-CG 4.06Å; E92-R99 HydrophobicContact CG-CG 4.07Å
93	C	97.9	Very high	96.5	Very high	0 Å²	0	72.7 Å²	72.7	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	110.3	169.7	177.9	0	0	0	0	110.3	M95 C96 G97 K98 F100 F106	C93-M95 PolarHBondContact O-N 3.2Å; C93-M95 VanDerWaalsContact O-N 3.12Å; C93-C96 PolarHBondContact O-N 3.04Å; C93-C96 VanDerWaalsContact SG-SG 3.66Å; C93-G97 VanDerWaalsContact O-CA 3.29Å; C93-G97 WeakPolarHBondContact O-CA 3.17Å; C93-G97 PolarHBondContact O-N 3.16Å; C93-K98 PolarHBondContact N-O 3.32Å; C93-F100 HydrophobicContact CB-CE2 4.3Å; C93-F106 HydrophobicContact CB-CD2 4.34Å; C93-F106 HydrophobicContact CB-CE2 3.94Å
94	Q	96.4	Very high	96.4	Very high	117 Å²	117	76 Å²	76	55%	0.547	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-16.3	179.1	-64.6	-173.3	-6	0	0	113.3	Q81 M82 N84 E92	Q81-Q94 PolarHBondContact O-OE1 2.99Å; M82-Q94 WeakPolarHBondContact O-CB 3.2Å; M82-Q94 PolarHBondContact O-N 2.93Å; N84-Q94 HydrophobicContact CB-CG 3.78Å; E92-Q94 PolarHBondContact O-N 3.47Å
95	M	94.6	Very high	96.4	Very high	79 Å²	79	76 Å²	76	39%	0.389	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-36.8	177.6	-170.4	176.9	-74.9	0	0	113.2	M82 C93 H114 N117	M82-M95 HydrophobicContact CE-CE 3.21Å; M82-M95 HydrophobicContact CG-CE 4.33Å; M82-M95 HydrophobicContact SD-CB 4.4Å; M82-M95 HydrophobicContact SD-CE 3.4Å; M82-M95 WeakPolarHBondContact SD-CE 3.28Å; M82-M95 HydrophobicContact SD-SD 4.31Å; C93-M95 PolarHBondContact O-N 3.2Å; C93-M95 VanDerWaalsContact O-N 3.12Å; M95-H114 HydrophobicContact SD-CB 3.87Å; M95-H114 PolarHBondContact SD-ND1 2.76Å; M95-N117 HydrophobicContact CE-CB 3.41Å; M95-N117 VanDerWaalsContact CE-CB 3.41Å; M95-N117 HydrophobicContact SD-CB 4.08Å
96	C	96.6	Very high	96.4	Very high	67 Å²	67	70.9 Å²	70.9	45%	0.453	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.1	-4.8	-174.7	71.1	0	0	0	0	115.4	C93 K98 H109 H114	C93-C96 PolarHBondContact O-N 3.04Å; C93-C96 VanDerWaalsContact SG-SG 3.66Å; C96-K98 VanDerWaalsContact C-N 3.29Å; C96-K98 PolarHBondContact O-N 2.71Å; C96-H109 PolarHBondContact SG-NE2 3.43Å; C96-H109 VanDerWaalsContact SG-NE2 3.36Å; C96-H114 PolarHBondContact SG-NE2 3.48Å; C96-H114 VanDerWaalsContact SG-NE2 3.45Å
97	G	96.6	Very high	96.4	Very high	40 Å²	40	67.5 Å²	67.5	41%	0.412	34%	0.336	S	S	.	.			trans	76.9	3.5	-179.3	0	0	0	0	0	115.3	C93	C93-G97 VanDerWaalsContact O-CA 3.29Å; C93-G97 WeakPolarHBondContact O-CA 3.17Å; C93-G97 PolarHBondContact O-N 3.16Å
98	K	97.9	Very high	96.5	Very high	114 Å²	114	69.5 Å²	69.5	50%	0.496	34%	0.342	S	S	.	.			trans	-70.9	137.8	178.9	-172.8	171.7	170.9	-174.2	0	110.8	E92 C93 C96 F100	E92-K98 WeakPolarHBondContact CA-O 3.32Å; C93-K98 PolarHBondContact N-O 3.32Å; C96-K98 VanDerWaalsContact C-N 3.29Å; C96-K98 PolarHBondContact O-N 2.71Å; K98-F100 HydrophobicContact CB-CE2 4Å; K98-F100 HydrophobicContact CB-CZ 4.01Å; K98-F100 HydrophobicContact CD-CE1 4.01Å; K98-F100 HydrophobicContact CD-CE2 4.34Å; K98-F100 HydrophobicContact CD-CZ 3.52Å; K98-F100 HydrophobicContact CG-CE1 4.23Å; K98-F100 HydrophobicContact CG-CE2 3.86Å; K98-F100 HydrophobicContact CG-CZ 3.54Å; K98-F100 VanDerWaalsContact O-CE2 3.29Å; K98-F100 WeakPolarHBondContact O-CE2 3.41Å
99	R	98	Very high	96.7	Very high	139 Å²	139	65.2 Å²	65.2	53%	0.525	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	152.6	180	-62.5	173.6	81.4	154	1.8	112.8	D90 W91 E92	D90-R99 IonicContact OD1-CZ 2.72Å; D90-R99 IonicContact OD1-NE 3.61Å; D90-R99 PolarHBondContact OD1-NE 3.47Å; D90-R99 IonicContact OD1-NH2 3.17Å; D90-R99 PolarHBondContact OD1-NH2 2.86Å; D90-R99 VanDerWaalsContact OD1-NH2 3.17Å; D90-R99 IonicContact OD2-CZ 3.06Å; D90-R99 IonicContact OD2-NE 2.64Å; D90-R99 IonicContact OD2-NH2 2.58Å; D90-R99 PolarHBondContact OD2-NH2 2.85Å; W91-R99 CarbonylContact O-C 3.42Å; W91-R99 VanDerWaalsContact O-CA 3.23Å; W91-R99 WeakPolarHBondContact O-CA 3.29Å; E92-R99 HydrophobicContact CB-CG 4.06Å; E92-R99 HydrophobicContact CG-CG 4.07Å
100	F	98.3	Very high	96.7	Very high	25 Å²	25	58.2 Å²	58.2	11%	0.11	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	148.2	-173.8	-57.6	-86.2	0	0	0	110.9	W91 C93 K98 F106 H109	W91-F100 HydrophobicContact CB-CB 4.28Å; W91-F100 PolarHBondContact N-O 3Å; W91-F100 PolarHBondContact O-N 2.95Å; C93-F100 HydrophobicContact CB-CE2 4.3Å; K98-F100 HydrophobicContact CB-CE2 4Å; K98-F100 HydrophobicContact CB-CZ 4.01Å; K98-F100 HydrophobicContact CD-CE1 4.01Å; K98-F100 HydrophobicContact CD-CE2 4.34Å; K98-F100 HydrophobicContact CD-CZ 3.52Å; K98-F100 HydrophobicContact CG-CE1 4.23Å; K98-F100 HydrophobicContact CG-CE2 3.86Å; K98-F100 HydrophobicContact CG-CZ 3.54Å; K98-F100 VanDerWaalsContact O-CE2 3.29Å; K98-F100 WeakPolarHBondContact O-CE2 3.41Å; F100-F106 HydrophobicContact CB-CB 4.15Å; F100-F106 HydrophobicContact CD2-CB 3.91Å; F100-F106 AromaticContact CD2-CD2 3.98Å; F100-F106 HydrophobicContact CD2-CD2 3.98Å; F100-F106 HydrophobicContact CD2-CG 4.47Å; F100-F106 HydrophobicContact CE2-CD2 4.2Å; F100-F106 HydrophobicContact CG-CB 4.05Å; F100-H109 HydrophobicContact CD1-CB 4.48Å; F100-H109 HydrophobicContact CE1-CB 3.51Å; F100-H109 AromaticContact CE1-CG 3.9Å; F100-H109 HydrophobicContact CE2-CB 4.05Å; F100-H109 AromaticContact CE2-CD2 3.54Å; F100-H109 AromaticContact CE2-CG 3.83Å; F100-H109 HydrophobicContact CZ-CB 3.26Å; F100-H109 AromaticContact CZ-CD2 3.35Å; F100-H109 WeakPolarHBondContact CZ-CD2 3.49Å; F100-H109 AromaticContact CZ-CG 3.14Å; F100-H109 AromaticContact CZ-ND1 3.74Å
101	Y	97.1	Very high	96.5	Very high	150 Å²	150	58 Å²	58	59%	0.588	30%	0.295	S	S	*	.	S	Bend	trans	-82	-25.9	-179.5	-168.5	-99.1	0	0	0	113.2	Y89	Y89-Y101 CarbonylContact C-O 3.46Å; Y89-Y101 VanDerWaalsContact CA-O 3.27Å; Y89-Y101 WeakPolarHBondContact CA-O 3.44Å; Y89-Y101 HydrophobicContact CD1-CD1 4.26Å; Y89-Y101 AromaticContact CD1-CE1 3.48Å; Y89-Y101 HydrophobicContact CD1-CE1 3.48Å; Y89-Y101 VanDerWaalsContact CD1-CE1 3.48Å; Y89-Y101 HydrophobicContact CD1-CE2 4.14Å; Y89-Y101 AromaticContact CD1-CZ 3.4Å; Y89-Y101 VanDerWaalsContact CD1-CZ 3.4Å; Y89-Y101 WeakPolarHBondContact CD1-OH 2.93Å; Y89-Y101 HydrophobicContact CE1-CE1 4.17Å; Y89-Y101 HydrophobicContact CG-CE1 4.21Å; Y89-Y101 HydrophobicContact CG-CE2 4.02Å; Y89-Y101 AromaticContact CG-CZ 3.7Å; Y89-Y101 WeakPolarHBondContact O-CA 3.49Å; Y89-Y101 WeakPolarHBondContact O-CD2 3.3Å
102	T	95.6	Very high	96.4	Very high	57 Å²	57	63.1 Å²	63.1	35%	0.35	32%	0.324	S	S	.	.	S	Bend	trans	-134.4	149.6	-179	70.3	0	0	0	0	111.6	N104 T105 F106	T102-N104 VanDerWaalsContact C-N 3.26Å; T102-N104 PolarHBondContact O-N 3.24Å; T102-T105 PolarHBondContact N-OG1 2.79Å; T102-T105 PolarHBondContact O-N 3.45Å; T102-T105 VanDerWaalsContact O-N 3.1Å; T102-T105 PolarHBondContact O-OG1 2.94Å; T102-T105 WeakPolarHBondContact OG1-CG2 3.28Å; T102-T105 PolarHBondContact OG1-N 3.4Å; T102-T105 PolarHBondContact OG1-OG1 3.28Å; T102-T105 VanDerWaalsContact OG1-OG1 3.11Å; T102-F106 PolarHBondContact O-N 3.41Å; T102-F106 VanDerWaalsContact O-N 3.16Å
103	E	95.3	Very high	96.3	Very high	47 Å²	47	69.7 Å²	69.7	22%	0.22	35%	0.347	C	S	.	.	H	α-helix	trans	-58.3	-38.4	178.3	-163.4	173.4	-139.4	0	0	111.9	R42 K83 W91 T105 F106 D107	R42-E103 WeakPolarHBondContact CD-OE1 3.48Å; R42-E103 IonicContact CZ-OE1 2.77Å; R42-E103 IonicContact CZ-OE2 3.1Å; R42-E103 IonicContact NE-OE1 3.53Å; R42-E103 PolarHBondContact NE-OE1 3.03Å; R42-E103 VanDerWaalsContact NE-OE1 3.17Å; R42-E103 IonicContact NE-OE2 3.98Å; R42-E103 IonicContact NH1-OE1 3.86Å; R42-E103 IonicContact NH1-OE2 3.33Å; R42-E103 PolarHBondContact NH1-OE2 3.24Å; R42-E103 IonicContact NH2-OE1 3.59Å; K83-E103 HydrophobicContact CD-CG 4.37Å; K83-E103 IonicContact NZ-OE1 3.87Å; K83-E103 PolarHBondContact NZ-OE1 2.97Å; W91-E103 HydrophobicContact CD2-CB 4.1Å; W91-E103 HydrophobicContact CD2-CG 4.38Å; W91-E103 HydrophobicContact CE3-CB 4.28Å; W91-E103 HydrophobicContact CE3-CG 4.08Å; W91-E103 HydrophobicContact CH2-CB 3.87Å; W91-E103 HydrophobicContact CH2-CG 3.88Å; W91-E103 WeakPolarHBondContact CH2-OE1 3.49Å; W91-E103 HydrophobicContact CZ2-CB 3.73Å; W91-E103 HydrophobicContact CZ2-CG 4.26Å; W91-E103 HydrophobicContact CZ3-CB 4.17Å; W91-E103 HydrophobicContact CZ3-CG 3.81Å; W91-E103 VanDerWaalsContact CZ3-OE1 3.32Å; W91-E103 WeakPolarHBondContact CZ3-OE1 3.29Å; E103-T105 PolarHBondContact O-N 2.9Å; E103-F106 WeakPolarHBondContact O-CB 3.47Å; E103-F106 PolarHBondContact O-N 3.13Å; E103-D107 VanDerWaalsContact O-CG 3.28Å; E103-D107 PolarHBondContact O-N 2.97Å
104	N	94.8	Very high	96.1	Very high	105 Å²	105	70.9 Å²	70.9	56%	0.561	35%	0.352	S	S	*	.	H	α-helix	trans	-62.8	-39.1	176.9	-177.6	61.4	0	0	0	112.8	T102 F106 D107 L108	T102-N104 VanDerWaalsContact C-N 3.26Å; T102-N104 PolarHBondContact O-N 3.24Å; N104-F106 VanDerWaalsContact C-N 3.33Å; N104-D107 PolarHBondContact O-N 3.2Å; N104-L108 WeakPolarHBondContact O-CG 3.28Å; N104-L108 PolarHBondContact O-N 2.73Å
105	T	96.5	Very high	95.9	Very high	56 Å²	56	71.1 Å²	71.1	34%	0.344	35%	0.354	S	S	.	.	H	α-helix	trans	-70.9	-30.8	176.7	56	0	0	0	0	112.7	T102 E103 H109	T102-T105 PolarHBondContact N-OG1 2.79Å; T102-T105 PolarHBondContact O-N 3.45Å; T102-T105 VanDerWaalsContact O-N 3.1Å; T102-T105 PolarHBondContact O-OG1 2.94Å; T102-T105 WeakPolarHBondContact OG1-CG2 3.28Å; T102-T105 PolarHBondContact OG1-N 3.4Å; T102-T105 PolarHBondContact OG1-OG1 3.28Å; T102-T105 VanDerWaalsContact OG1-OG1 3.11Å; E103-T105 PolarHBondContact O-N 2.9Å; T105-H109 PolarHBondContact O-N 2.71Å; T105-H109 VanDerWaalsContact O-N 3.14Å
106	F	97.6	Very high	95.8	Very high	0 Å²	0	73.2 Å²	73.2	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-64.7	-47.2	168.2	163.8	-92.3	0	0	0	111.2	H79 K83 W91 C93 F100 T102 E103 N104 L108 H109 I110	H79-F106 AromaticContact NE2-CE1 3.98Å; K83-F106 HydrophobicContact CB-CE1 3.76Å; K83-F106 HydrophobicContact CB-CE2 4.45Å; K83-F106 HydrophobicContact CB-CZ 3.63Å; K83-F106 HydrophobicContact CD-CD1 4.12Å; K83-F106 HydrophobicContact CD-CE1 3.83Å; K83-F106 HydrophobicContact CD-CZ 4.5Å; K83-F106 HydrophobicContact CG-CD1 4.25Å; K83-F106 HydrophobicContact CG-CE1 3.81Å; K83-F106 HydrophobicContact CG-CZ 3.98Å; W91-F106 HydrophobicContact CB-CB 4.21Å; C93-F106 HydrophobicContact CB-CD2 4.34Å; C93-F106 HydrophobicContact CB-CE2 3.94Å; F100-F106 HydrophobicContact CB-CB 4.15Å; F100-F106 HydrophobicContact CD2-CB 3.91Å; F100-F106 AromaticContact CD2-CD2 3.98Å; F100-F106 HydrophobicContact CD2-CD2 3.98Å; F100-F106 HydrophobicContact CD2-CG 4.47Å; F100-F106 HydrophobicContact CE2-CD2 4.2Å; F100-F106 HydrophobicContact CG-CB 4.05Å; T102-F106 PolarHBondContact O-N 3.41Å; T102-F106 VanDerWaalsContact O-N 3.16Å; E103-F106 WeakPolarHBondContact O-CB 3.47Å; E103-F106 PolarHBondContact O-N 3.13Å; N104-F106 VanDerWaalsContact C-N 3.33Å; F106-L108 VanDerWaalsContact C-N 3.34Å; F106-L108 PolarHBondContact O-N 3.44Å; F106-H109 WeakPolarHBondContact O-CA 3.3Å; F106-H109 WeakPolarHBondContact O-CB 3.23Å; F106-H109 PolarHBondContact O-N 3.28Å; F106-I110 HydrophobicContact CD1-CG1 4.47Å; F106-I110 HydrophobicContact CD2-CG1 4.4Å; F106-I110 HydrophobicContact CE1-CG1 3.9Å; F106-I110 HydrophobicContact CE2-CD1 3.77Å; F106-I110 HydrophobicContact CE2-CG1 3.82Å; F106-I110 HydrophobicContact CZ-CD1 3.8Å; F106-I110 HydrophobicContact CZ-CG1 3.54Å; F106-I110 PolarHBondContact O-N 2.91Å
107	D	96	Very high	95.6	Very high	9 Å²	9	74.2 Å²	74.2	5%	0.048	37%	0.372	C	S	.	.	H	α-helix	trans	-59	-45.1	179.9	-72.5	-23.9	0	0	0	111.5	I38 R42 H79 E103 N104 H109 I110 G111	I38-D107 HydrophobicContact CD1-CB 4.01Å; R42-D107 IonicContact CZ-OD2 2.92Å; R42-D107 IonicContact NH1-OD2 2.75Å; R42-D107 PolarHBondContact NH1-OD2 2.82Å; R42-D107 VanDerWaalsContact NH2-CG 3.26Å; R42-D107 IonicContact NH2-OD1 2.93Å; R42-D107 PolarHBondContact NH2-OD1 3.12Å; R42-D107 IonicContact NH2-OD2 3.28Å; R42-D107 PolarHBondContact NH2-OD2 3.45Å; H79-D107 IonicContact CD2-OD1 2.69Å; H79-D107 IonicContact CE1-OD1 3.22Å; H79-D107 IonicContact NE2-OD1 2.64Å; H79-D107 PolarHBondContact NE2-OD1 3.45Å; E103-D107 VanDerWaalsContact O-CG 3.28Å; E103-D107 PolarHBondContact O-N 2.97Å; N104-D107 PolarHBondContact O-N 3.2Å; D107-H109 VanDerWaalsContact C-N 3.29Å; D107-H109 PolarHBondContact O-N 3.25Å; D107-I110 PolarHBondContact O-N 3.36Å; D107-G111 PolarHBondContact O-N 2.64Å; D107-G111 VanDerWaalsContact O-N 3.12Å
108	L	95.8	Very high	95.3	Very high	97 Å²	97	72.3 Å²	72.3	51%	0.508	35%	0.352	S	S	.	.	H	α-helix	trans	-60.6	-37	173.1	-71.2	171.5	0	0	0	112.3	N104 F106 N112	N104-L108 WeakPolarHBondContact O-CG 3.28Å; N104-L108 PolarHBondContact O-N 2.73Å; F106-L108 VanDerWaalsContact C-N 3.34Å; F106-L108 PolarHBondContact O-N 3.44Å; L108-N112 WeakPolarHBondContact O-CB 3.28Å; L108-N112 VanDerWaalsContact O-CG 3.26Å; L108-N112 PolarHBondContact O-N 3.09Å; L108-N112 VanDerWaalsContact O-N 3.15Å; L108-N112 PolarHBondContact O-ND2 2.86Å
109	H	97.2	Very high	94.9	Very high	18 Å²	18	70.1 Å²	70.1	8%	0.083	34%	0.341	C	S	.	.	H	α-helix	trans	-65.6	-46	177.6	160.7	70.3	0	0	0	112.1	C96 F100 T105 F106 D107 G111 N112 R113 H114	C96-H109 PolarHBondContact SG-NE2 3.43Å; C96-H109 VanDerWaalsContact SG-NE2 3.36Å; F100-H109 HydrophobicContact CD1-CB 4.48Å; F100-H109 HydrophobicContact CE1-CB 3.51Å; F100-H109 AromaticContact CE1-CG 3.9Å; F100-H109 HydrophobicContact CE2-CB 4.05Å; F100-H109 AromaticContact CE2-CD2 3.54Å; F100-H109 AromaticContact CE2-CG 3.83Å; F100-H109 HydrophobicContact CZ-CB 3.26Å; F100-H109 AromaticContact CZ-CD2 3.35Å; F100-H109 WeakPolarHBondContact CZ-CD2 3.49Å; F100-H109 AromaticContact CZ-CG 3.14Å; F100-H109 AromaticContact CZ-ND1 3.74Å; T105-H109 PolarHBondContact O-N 2.71Å; T105-H109 VanDerWaalsContact O-N 3.14Å; F106-H109 WeakPolarHBondContact O-CA 3.3Å; F106-H109 WeakPolarHBondContact O-CB 3.23Å; F106-H109 PolarHBondContact O-N 3.28Å; D107-H109 VanDerWaalsContact C-N 3.29Å; D107-H109 PolarHBondContact O-N 3.25Å; H109-G111 VanDerWaalsContact C-N 3.33Å; H109-G111 PolarHBondContact O-N 3.26Å; H109-N112 PolarHBondContact O-N 3Å; H109-N112 VanDerWaalsContact O-N 3.15Å; H109-R113 WeakPolarHBondContact O-CB 3.32Å; H109-R113 PolarHBondContact O-N 3.27Å; H109-H114 AromaticContact CE1-CD2 3.94Å; H109-H114 AromaticContact CE1-NE2 3.75Å; H109-H114 AromaticContact NE2-CD2 3.51Å; H109-H114 AromaticContact NE2-NE2 3.5Å; H109-H114 PolarHBondContact NE2-NE2 2.94Å
110	I	96.3	Very high	94.3	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-59.4	-47.6	178.5	-62.1	-58.7	0	0	0	110.1	H79 M82 F106 D107 N112 R113 H114 E115 A118	H79-I110 VanDerWaalsContact ND1-CG2 3.25Å; H79-I110 WeakPolarHBondContact ND1-CG2 3.39Å; M82-I110 HydrophobicContact CB-CD1 4.27Å; M82-I110 HydrophobicContact SD-CD1 4.16Å; M82-I110 HydrophobicContact SD-CG2 4.49Å; F106-I110 HydrophobicContact CD1-CG1 4.47Å; F106-I110 HydrophobicContact CD2-CG1 4.4Å; F106-I110 HydrophobicContact CE1-CG1 3.9Å; F106-I110 HydrophobicContact CE2-CD1 3.77Å; F106-I110 HydrophobicContact CE2-CG1 3.82Å; F106-I110 HydrophobicContact CZ-CD1 3.8Å; F106-I110 HydrophobicContact CZ-CG1 3.54Å; F106-I110 PolarHBondContact O-N 2.91Å; D107-I110 PolarHBondContact O-N 3.36Å; I110-N112 PolarHBondContact O-N 2.93Å; I110-R113 PolarHBondContact O-N 2.72Å; I110-H114 HydrophobicContact CG2-CB 4.33Å; I110-H114 CarbonylContact O-C 3.29Å; I110-H114 VanDerWaalsContact O-C 3.29Å; I110-H114 WeakPolarHBondContact O-CA 3.5Å; I110-H114 PolarHBondContact O-N 2.91Å; I110-E115 PolarHBondContact O-N 3.16Å; I110-E115 VanDerWaalsContact O-N 3.1Å; I110-A118 HydrophobicContact CG2-CB 3.39Å
111	G	92.6	Very high	93.5	Very high	24 Å²	24	71.4 Å²	71.4	25%	0.247	37%	0.369	C	S	.	.	H	α-helix	trans	-61.4	-26.1	177.5	0	0	0	0	0	114.6	D107 H109	D107-G111 PolarHBondContact O-N 2.64Å; D107-G111 VanDerWaalsContact O-N 3.12Å; H109-G111 VanDerWaalsContact C-N 3.33Å; H109-G111 PolarHBondContact O-N 3.26Å
112	N	94.4	Very high	92.9	Very high	128 Å²	128	68.3 Å²	68.3	68%	0.684	37%	0.369	S	S	*	.	H	α-helix	trans	-95.6	-26.2	-179.1	-73.4	-46.6	0	0	0	114.4	L108 H109 I110	L108-N112 WeakPolarHBondContact O-CB 3.28Å; L108-N112 VanDerWaalsContact O-CG 3.26Å; L108-N112 PolarHBondContact O-N 3.09Å; L108-N112 VanDerWaalsContact O-N 3.15Å; L108-N112 PolarHBondContact O-ND2 2.86Å; H109-N112 PolarHBondContact O-N 3Å; H109-N112 VanDerWaalsContact O-N 3.15Å; I110-N112 PolarHBondContact O-N 2.93Å
113	R	96	Very high	92.6	Very high	191 Å²	191	68.1 Å²	68.1	72%	0.721	36%	0.362	S	S	*	.	H	α-helix	trans	-118.7	-23.8	-170.6	-65.2	-60.5	-172.5	130.8	-3	114	H109 I110	H109-R113 WeakPolarHBondContact O-CB 3.32Å; H109-R113 PolarHBondContact O-N 3.27Å; I110-R113 PolarHBondContact O-N 2.72Å
114	H	95.4	Very high	92.2	Very high	25 Å²	25	70.9 Å²	70.9	12%	0.116	38%	0.382	C	S	.	.	S	Bend	trans	-133.4	18.5	-171.1	-60.1	-51.5	0	0	0	112.3	M82 M95 C96 H109 I110 T116 N117 A118	M82-H114 HydrophobicContact SD-CB 4.48Å; M95-H114 HydrophobicContact SD-CB 3.87Å; M95-H114 PolarHBondContact SD-ND1 2.76Å; C96-H114 PolarHBondContact SG-NE2 3.48Å; C96-H114 VanDerWaalsContact SG-NE2 3.45Å; H109-H114 AromaticContact CE1-CD2 3.94Å; H109-H114 AromaticContact CE1-NE2 3.75Å; H109-H114 AromaticContact NE2-CD2 3.51Å; H109-H114 AromaticContact NE2-NE2 3.5Å; H109-H114 PolarHBondContact NE2-NE2 2.94Å; I110-H114 HydrophobicContact CG2-CB 4.33Å; I110-H114 CarbonylContact O-C 3.29Å; I110-H114 VanDerWaalsContact O-C 3.29Å; I110-H114 WeakPolarHBondContact O-CA 3.5Å; I110-H114 PolarHBondContact O-N 2.91Å; H114-T116 VanDerWaalsContact C-N 3.26Å; H114-T116 PolarHBondContact O-N 3.01Å; H114-N117 CarbonylContact O-C 3.34Å; H114-N117 PolarHBondContact O-N 3.19Å; H114-A118 VanDerWaalsContact O-CB 3.3Å; H114-A118 WeakPolarHBondContact O-CB 3.33Å; H114-A118 PolarHBondContact O-N 2.85Å
115	E	92.1	Very high	92.2	Very high	123 Å²	123	67.6 Å²	67.6	58%	0.575	36%	0.364	S	S	*	.	H	α-helix	trans	-48	-48.2	-179.5	-179.6	176.9	-164	0	0	112.3	I110 N117 A118 Y119	I110-E115 PolarHBondContact O-N 3.16Å; I110-E115 VanDerWaalsContact O-N 3.1Å; E115-N117 PolarHBondContact O-N 3.43Å; E115-N117 VanDerWaalsContact O-N 3.16Å; E115-A118 PolarHBondContact O-N 2.64Å; E115-Y119 HydrophobicContact CB-CE2 4.44Å; E115-Y119 HydrophobicContact CG-CD2 3.89Å; E115-Y119 HydrophobicContact CG-CE2 3.9Å; E115-Y119 WeakPolarHBondContact O-CD2 3.34Å; E115-Y119 PolarHBondContact O-N 2.69Å
116	T	92	Very high	92.2	Very high	123 Å²	123	66.2 Å²	66.2	76%	0.755	36%	0.356	S	S	*	.	H	α-helix	trans	-61.5	-24.8	-179.1	49.5	0	0	0	0	114.2	H114	H114-T116 VanDerWaalsContact C-N 3.26Å; H114-T116 PolarHBondContact O-N 3.01Å
117	N	92.3	Very high	92.1	Very high	87 Å²	87	66.4 Å²	66.4	47%	0.465	36%	0.357	S	S	.	.	H	α-helix	trans	-104.1	-25	-177.7	-60.7	82.6	0	0	0	111.8	M82 M95 H114 E115 Y119	M82-N117 VanDerWaalsContact CE-C 3.5Å; M82-N117 HydrophobicContact CE-CB 4.08Å; M82-N117 VanDerWaalsContact CE-O 3.26Å; M82-N117 WeakPolarHBondContact CE-O 3.17Å; M95-N117 HydrophobicContact CE-CB 3.41Å; M95-N117 VanDerWaalsContact CE-CB 3.41Å; M95-N117 HydrophobicContact SD-CB 4.08Å; H114-N117 CarbonylContact O-C 3.34Å; H114-N117 PolarHBondContact O-N 3.19Å; E115-N117 PolarHBondContact O-N 3.43Å; E115-N117 VanDerWaalsContact O-N 3.16Å; N117-Y119 VanDerWaalsContact C-N 3.32Å
118	A	89.8	Confident	91.9	Very high	0 Å²	0	66 Å²	66	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-73.8	-25.2	-177.9	0	0	0	0	0	112.8	H79 M82 I110 H114 E115	H79-A118 HydrophobicContact CB-CB 4.39Å; H79-A118 PolarHBondContact N-O 3.22Å; M82-A118 HydrophobicContact CE-CB 4.2Å; I110-A118 HydrophobicContact CG2-CB 3.39Å; H114-A118 VanDerWaalsContact O-CB 3.3Å; H114-A118 WeakPolarHBondContact O-CB 3.33Å; H114-A118 PolarHBondContact O-N 2.85Å; E115-A118 PolarHBondContact O-N 2.64Å
119	Y	89	Confident	91.8	Very high	69 Å²	69	64.5 Å²	64.5	27%	0.271	35%	0.353	S	S	.	.			trans	-121.7	147.6	-174.8	-49.4	-55.1	0	0	0	111.1	Y76 H79 E115 N117	Y76-Y119 HydrophobicContact CD1-CD1 4.38Å; Y76-Y119 AromaticContact CD1-CE1 3.54Å; Y76-Y119 HydrophobicContact CD1-CE1 3.54Å; Y76-Y119 HydrophobicContact CE1-CD1 4.34Å; Y76-Y119 AromaticContact CE1-CE1 3.35Å; Y76-Y119 HydrophobicContact CE1-CE1 3.35Å; Y76-Y119 AromaticContact CE1-CZ 3.88Å; H79-Y119 HydrophobicContact CB-CE1 4.44Å; E115-Y119 HydrophobicContact CB-CE2 4.44Å; E115-Y119 HydrophobicContact CG-CD2 3.89Å; E115-Y119 HydrophobicContact CG-CE2 3.9Å; E115-Y119 WeakPolarHBondContact O-CD2 3.34Å; E115-Y119 PolarHBondContact O-N 2.69Å; N117-Y119 VanDerWaalsContact C-N 3.32Å
120	S	85.4	Confident	91.7	Very high	46 Å²	46	65.2 Å²	65.2	32%	0.322	36%	0.355	S	S	.	.			trans	-126.4	138.8	175.1	177.8	0	0	0	0	109.4	S122 R123	S120-S122 PolarHBondContact O-N 3.1Å; S120-S122 VanDerWaalsContact O-N 3.13Å; S120-S122 PolarHBondContact OG-N 3.17Å; S120-S122 PolarHBondContact OG-OG 3.23Å; S120-R123 VanDerWaalsContact CB-NH1 3.29Å; S120-R123 PolarHBondContact O-N 2.92Å
121	T	81.6	Confident	91.5	Very high	145 Å²	145	65.6 Å²	65.6	89%	0.89	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-21.1	178.5	-42.4	0	0	0	0	113.1	R123	T121-R123 VanDerWaalsContact C-N 3.34Å
122	S	85	Confident	91.5	Very high	84 Å²	84	67.6 Å²	67.6	59%	0.587	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-17.4	177.9	70.3	0	0	0	0	113.7	S120	S120-S122 PolarHBondContact O-N 3.1Å; S120-S122 VanDerWaalsContact O-N 3.13Å; S120-S122 PolarHBondContact OG-N 3.17Å; S120-S122 PolarHBondContact OG-OG 3.23Å
123	R	88.4	Confident	91.4	Very high	53 Å²	53	61.8 Å²	61.8	20%	0.2	34%	0.335	C	S	.	.			trans	-102	115.5	-179.5	-52.1	-154.8	-173.5	74.3	-4.2	108.6	K72 D74 I75 S120 T121	K72-R123 VanDerWaalsContact O-CD 3.32Å; K72-R123 WeakPolarHBondContact O-CD 3.2Å; K72-R123 WeakPolarHBondContact O-CG 3.06Å; D74-R123 WeakPolarHBondContact O-CD 3.37Å; I75-R123 HydrophobicContact CG2-CB 4.41Å; I75-R123 WeakPolarHBondContact CG2-O 3.49Å; S120-R123 VanDerWaalsContact CB-NH1 3.29Å; S120-R123 PolarHBondContact O-N 2.92Å; T121-R123 VanDerWaalsContact C-N 3.34Å
124	T	88.8	Confident	91.3	Very high	105 Å²	105	52.9 Å²	52.9	64%	0.644	30%	0.302	S	S	*	.			trans	-121.1	-7.4	-171.7	56.7	0	0	0	0	113.4	H73 I75	H73-T124 PolarHBondContact O-N 3.49Å; I75-T124 VanDerWaalsContact CG2-C 3.42Å
125	I	94.7	Very high	91.1	Very high	37 Å²	37	52.5 Å²	52.5	19%	0.19	30%	0.299	C	S	.	.	B	Isolated β-bridge	trans	-94.3	117.4	-174.2	-60.1	-62.4	0	0	0	111.1	P68 H73 I75 L127 Y130	P68-I125 HydrophobicContact CB-CD1 4.5Å; P68-I125 HydrophobicContact CB-CG2 4.43Å; H73-I125 HydrophobicContact CB-CB 3.87Å; H73-I125 HydrophobicContact CB-CG1 3.59Å; H73-I125 WeakPolarHBondContact O-CA 3.37Å; H73-I125 WeakPolarHBondContact O-CB 3.45Å; H73-I125 PolarHBondContact O-N 3.32Å; I75-I125 WeakPolarHBondContact CG2-O 3.47Å; I75-I125 PolarHBondContact N-O 2.65Å; I125-L127 HydrophobicContact CG2-CD2 4.37Å; I125-Y130 HydrophobicContact CG2-CD2 4.42Å; I125-Y130 HydrophobicContact CG2-CE2 3.6Å
126	C	95	Very high	91	Very high	26 Å²	26	46.9 Å²	46.9	18%	0.176	27%	0.274	C	S	.	.			trans	-83.1	107.8	169	175.1	0	0	0	0	110.3	C36 I75 S128 S129	C36-C126 WeakPolarHBondContact CA-SG 3.06Å; C36-C126 HydrophobicContact CB-CB 3.74Å; C36-C126 WeakPolarHBondContact CB-SG 3.11Å; C36-C126 WeakPolarHBondContact SG-CA 3.35Å; C36-C126 WeakPolarHBondContact SG-CB 3.27Å; C36-C126 CovalentContact SG-SG 2Å; C36-C126 PolarHBondContact SG-SG 3.34Å; I75-C126 HydrophobicContact CD1-CB 4.28Å; C126-S128 PolarHBondContact O-N 3.21Å; C126-S129 WeakPolarHBondContact O-CB 3.49Å; C126-S129 PolarHBondContact O-N 3.02Å; C126-S129 PolarHBondContact O-OG 3.28Å
127	L	95.6	Very high	90.7	Very high	4 Å²	4	42.8 Å²	42.8	2%	0.021	25%	0.25	C	C	.	.	G	3₁₀ helix	trans	-65.3	-26.8	-178.8	-68.3	179.4	0	0	0	113.6	A44 R45 L48 F69 D74 I125 S129 Y130	A44-L127 HydrophobicContact CB-CB 3.85Å; A44-L127 WeakPolarHBondContact CB-O 3.35Å; R45-L127 HydrophobicContact CB-CD1 3.82Å; R45-L127 HydrophobicContact CG-CD1 4.32Å; L48-L127 HydrophobicContact CD1-CD1 4.24Å; L48-L127 HydrophobicContact CD1-CD2 3.93Å; F69-L127 HydrophobicContact CD1-CD2 4.43Å; D74-L127 HydrophobicContact CB-CD1 4.01Å; D74-L127 HydrophobicContact CB-CG 4.28Å; I125-L127 HydrophobicContact CG2-CD2 4.37Å; L127-S129 PolarHBondContact O-N 2.96Å; L127-Y130 PolarHBondContact O-N 3.05Å
128	S	93.4	Very high	90.2	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.014	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-55.9	-33.5	174	152.5	0	0	0	0	112.5	S37 Q40 S41 C126 Y130 C131	S37-S128 WeakPolarHBondContact O-CB 3.49Å; Q40-S128 PolarHBondContact OE1-OG 2.94Å; S41-S128 VanDerWaalsContact OG-CB 3.27Å; S41-S128 WeakPolarHBondContact OG-CB 2.95Å; S41-S128 PolarHBondContact OG-N 3.34Å; C126-S128 PolarHBondContact O-N 3.21Å; S128-Y130 PolarHBondContact O-N 3.37Å; S128-Y130 VanDerWaalsContact O-N 3.09Å; S128-C131 VanDerWaalsContact O-CB 3.28Å; S128-C131 WeakPolarHBondContact O-CB 3.26Å; S128-C131 PolarHBondContact O-N 3.21Å
129	S	93.3	Very high	89.7	Confident	64 Å²	64	40.7 Å²	40.7	45%	0.448	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-63.8	-17.2	176.1	67.8	0	0	0	0	114.4	C126 L127	C126-S129 WeakPolarHBondContact O-CB 3.49Å; C126-S129 PolarHBondContact O-N 3.02Å; C126-S129 PolarHBondContact O-OG 3.28Å; L127-S129 PolarHBondContact O-N 2.96Å
130	Y	95	Very high	88.9	Confident	33 Å²	33	40.8 Å²	40.8	13%	0.129	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-101.3	4.7	177.3	-58.3	-90.2	0	0	0	112.6	P68 F69 I125 L127 S128 L133 L134 I171	P68-Y130 HydrophobicContact CB-CE1 4.21Å; P68-Y130 HydrophobicContact CB-CE2 4.38Å; P68-Y130 VanDerWaalsContact CB-OH 3.31Å; P68-Y130 WeakPolarHBondContact CB-OH 3.45Å; P68-Y130 HydrophobicContact CG-CE1 4.2Å; F69-Y130 AromaticContact CE1-CD1 3.63Å; F69-Y130 HydrophobicContact CE1-CD1 3.63Å; F69-Y130 HydrophobicContact CE1-CD2 4.22Å; F69-Y130 HydrophobicContact CE1-CE1 4.25Å; F69-Y130 AromaticContact CE1-CG 3.6Å; F69-Y130 HydrophobicContact CE1-CG 3.6Å; F69-Y130 HydrophobicContact CZ-CD1 4.11Å; F69-Y130 HydrophobicContact CZ-CG 4.38Å; I125-Y130 HydrophobicContact CG2-CD2 4.42Å; I125-Y130 HydrophobicContact CG2-CE2 3.6Å; L127-Y130 PolarHBondContact O-N 3.05Å; S128-Y130 PolarHBondContact O-N 3.37Å; S128-Y130 VanDerWaalsContact O-N 3.09Å; Y130-L133 WeakPolarHBondContact O-CB 3.49Å; Y130-L133 PolarHBondContact O-N 3.46Å; Y130-L134 WeakPolarHBondContact O-CG 3.39Å; Y130-L134 PolarHBondContact O-N 2.76Å; Y130-I171 HydrophobicContact CD1-CD1 3.68Å; Y130-I171 HydrophobicContact CE1-CD1 3.56Å; Y130-I171 HydrophobicContact CE1-CG1 4.38Å
131	C	92.8	Very high	87.9	Confident	9 Å²	9	41.3 Å²	41.3	6%	0.061	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-37.8	179.7	-99.4	0	0	0	0	114.8	Q40 S128 L133 L134 R135 C136	Q40-C131 PolarHBondContact O-SG 3.46Å; Q40-C131 VanDerWaalsContact O-SG 3.34Å; S128-C131 VanDerWaalsContact O-CB 3.28Å; S128-C131 WeakPolarHBondContact O-CB 3.26Å; S128-C131 PolarHBondContact O-N 3.21Å; C131-L133 VanDerWaalsContact C-N 3.27Å; C131-L133 PolarHBondContact O-N 3.37Å; C131-L134 CarbonylContact O-C 3.59Å; C131-L134 PolarHBondContact O-N 3.04Å; C131-R135 PolarHBondContact O-N 3.11Å; C131-C136 WeakPolarHBondContact CA-SG 3.37Å; C131-C136 HydrophobicContact CB-CB 3.45Å; C131-C136 VanDerWaalsContact CB-CB 3.45Å; C131-C136 WeakPolarHBondContact CB-SG 3.21Å; C131-C136 PolarHBondContact O-N 3.39Å; C131-C136 WeakPolarHBondContact SG-CB 3.4Å; C131-C136 CovalentContact SG-SG 2.05Å; C131-C136 PolarHBondContact SG-SG 3.37Å
132	P	91.2	Very high	87	Confident	66 Å²	66	42.2 Å²	42.2	43%	0.429	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-38.8	172.9	-28.1	38.6	0	0	0	112.2	R135 I164 Y204	P132-R135 PolarHBondContact O-N 2.89Å; P132-I164 HydrophobicContact CB-CD1 3.39Å; P132-Y204 WeakPolarHBondContact O-CE2 3.32Å; P132-Y204 PolarHBondContact O-OH 3.34Å
133	L	93.9	Very high	85.7	Confident	5 Å²	5	42.3 Å²	42.3	3%	0.026	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-39.9	178.9	-179.4	165.4	0	0	0	110.7	F69 Y130 C131 R135 I164 C168 I171 L199	F69-L133 HydrophobicContact CE2-CD2 4.46Å; F69-L133 HydrophobicContact CZ-CD1 4.44Å; F69-L133 HydrophobicContact CZ-CD2 4.01Å; Y130-L133 WeakPolarHBondContact O-CB 3.49Å; Y130-L133 PolarHBondContact O-N 3.46Å; C131-L133 VanDerWaalsContact C-N 3.27Å; C131-L133 PolarHBondContact O-N 3.37Å; L133-R135 PolarHBondContact O-N 2.64Å; L133-I164 HydrophobicContact CB-CD1 4.37Å; L133-I164 HydrophobicContact CB-CG1 4.31Å; L133-C168 HydrophobicContact CD1-CB 3.87Å; L133-C168 HydrophobicContact CG-CB 4.03Å; L133-I171 HydrophobicContact CD1-CD1 3.33Å; L133-L199 HydrophobicContact CG-CD1 4.24Å
134	L	93.6	Very high	83.8	Confident	4 Å²	4	44.2 Å²	44.2	2%	0.021	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	3.4	178.7	-63.3	173.1	0	0	0	113.1	A44 I47 L48 F69 Y130 C131 C136 L139	A44-L134 HydrophobicContact CB-CD1 3.67Å; I47-L134 HydrophobicContact CD1-CB 4.38Å; I47-L134 HydrophobicContact CG2-CB 4.25Å; I47-L134 HydrophobicContact CG2-CD2 4.35Å; L48-L134 HydrophobicContact CD1-CD1 4.46Å; L48-L134 HydrophobicContact CD2-CD1 4.07Å; L48-L134 HydrophobicContact CD2-CD2 3.82Å; L48-L134 HydrophobicContact CG-CD1 4Å; F69-L134 HydrophobicContact CZ-CD2 4.3Å; Y130-L134 WeakPolarHBondContact O-CG 3.39Å; Y130-L134 PolarHBondContact O-N 2.76Å; C131-L134 CarbonylContact O-C 3.59Å; C131-L134 PolarHBondContact O-N 3.04Å; L134-C136 PolarHBondContact O-N 2.92Å; L134-L139 WeakPolarHBondContact O-CD1 3.18Å
135	R	91.3	Very high	82.2	Confident	17 Å²	17	49.9 Å²	49.9	6%	0.064	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.7	38.7	178.6	-56.3	167.5	56.4	-152.1	-6.3	112.7	C131 P132 L133 S137 V138 L139 L199 R203 Y204 I206	C131-R135 PolarHBondContact O-N 3.11Å; P132-R135 PolarHBondContact O-N 2.89Å; L133-R135 PolarHBondContact O-N 2.64Å; R135-S137 VanDerWaalsContact C-N 3.31Å; R135-S137 PolarHBondContact O-N 2.84Å; R135-V138 HydrophobicContact CB-CB 4.38Å; R135-V138 PolarHBondContact O-N 3.21Å; R135-L139 HydrophobicContact CB-CG 4.36Å; R135-L139 PolarHBondContact O-N 3.07Å; R135-L199 HydrophobicContact CG-CD2 4.26Å; R135-R203 PolarHBondContact NH2-O 2.9Å; R135-Y204 HydrophobicContact CB-CE2 4.31Å; R135-Y204 HydrophobicContact CG-CD2 3.76Å; R135-Y204 HydrophobicContact CG-CE2 3.53Å; R135-Y204 PolarHBondContact NE-O 2.93Å; R135-Y204 PolarHBondContact NH2-O 3.2Å; R135-I206 PolarHBondContact NH2-O 3.39Å
136	C	89.7	Confident	80.3	Confident	5 Å²	5	50.3 Å²	50.3	3%	0.034	28%	0.278	C	S	.	.	H	α-helix	trans	-49.9	-48.4	-175.5	-79.5	0	0	0	0	113.1	L43 I47 C131 L134 V138 L139 K140	L43-C136 HydrophobicContact CD2-CB 3.49Å; L43-C136 VanDerWaalsContact CD2-CB 3.49Å; L43-C136 HydrophobicContact CG-CB 3.8Å; I47-C136 HydrophobicContact CD1-CB 4.46Å; C131-C136 WeakPolarHBondContact CA-SG 3.37Å; C131-C136 HydrophobicContact CB-CB 3.45Å; C131-C136 VanDerWaalsContact CB-CB 3.45Å; C131-C136 WeakPolarHBondContact CB-SG 3.21Å; C131-C136 PolarHBondContact O-N 3.39Å; C131-C136 WeakPolarHBondContact SG-CB 3.4Å; C131-C136 CovalentContact SG-SG 2.05Å; C131-C136 PolarHBondContact SG-SG 3.37Å; L134-C136 PolarHBondContact O-N 2.92Å; C136-V138 PolarHBondContact O-N 3.42Å; C136-L139 PolarHBondContact O-N 2.93Å; C136-K140 PolarHBondContact O-N 3.24Å; C136-K140 VanDerWaalsContact O-N 3.14Å
137	S	84.1	Confident	78.6	Confident	37 Å²	37	59 Å²	59	26%	0.259	31%	0.309	S	S	.	.	H	α-helix	trans	-63.1	-26.3	-178.7	51.9	0	0	0	0	113.5	R135 D144	R135-S137 VanDerWaalsContact C-N 3.31Å; R135-S137 PolarHBondContact O-N 2.84Å; S137-D144 WeakPolarHBondContact CB-OD2 3.24Å
138	V	83.8	Confident	77.3	Confident	6 Å²	6	64.6 Å²	64.6	4%	0.036	34%	0.335	C	S	.	.	H	α-helix	trans	-88.9	-42.9	-179.4	-178.8	0	0	0	0	111.2	R135 C136 Y204 W205 L207	R135-V138 HydrophobicContact CB-CB 4.38Å; R135-V138 PolarHBondContact O-N 3.21Å; C136-V138 PolarHBondContact O-N 3.42Å; V138-Y204 HydrophobicContact CG2-CD1 4.05Å; V138-Y204 HydrophobicContact CG2-CE1 3.74Å; V138-W205 HydrophobicContact CG2-CE3 3.67Å; V138-W205 HydrophobicContact CG2-CZ3 4.04Å; V138-L207 HydrophobicContact CG1-CD1 3.64Å; V138-L207 HydrophobicContact CG1-CG 4.43Å
139	L	78.4	Confident	76.3	Confident	38 Å²	38	67.2 Å²	67.2	20%	0.199	35%	0.351	C	S	.	.	H	α-helix	trans	-78.1	-28.6	-173.9	-65	-178.6	0	0	0	113.6	I47 I51 L134 R135 C136 P208	I47-L139 HydrophobicContact CD1-CB 4.23Å; I47-L139 HydrophobicContact CD1-CD1 4.02Å; I47-L139 HydrophobicContact CG1-CD1 4.05Å; I47-L139 HydrophobicContact CG2-CD1 3.91Å; I51-L139 HydrophobicContact CD1-CD1 4.12Å; L134-L139 WeakPolarHBondContact O-CD1 3.18Å; R135-L139 HydrophobicContact CB-CG 4.36Å; R135-L139 PolarHBondContact O-N 3.07Å; C136-L139 PolarHBondContact O-N 2.93Å; L139-P208 HydrophobicContact CD2-CG 3.68Å
140	K	72.5	Confident	75.7	Confident	71 Å²	71	71 Å²	71	31%	0.309	36%	0.359	S	S	.	.			trans	-133.5	78.8	172.1	-57.6	-159.3	-172.5	175.6	0	111.5	L43 S46 C136 D142 V143	L43-K140 HydrophobicContact CD1-CB 3.37Å; L43-K140 HydrophobicContact CD1-CD 3.33Å; L43-K140 HydrophobicContact CD1-CG 3.3Å; L43-K140 HydrophobicContact CD2-CB 4.33Å; S46-K140 VanDerWaalsContact CB-NZ 3.31Å; S46-K140 WeakPolarHBondContact OG-CE 3.33Å; S46-K140 PolarHBondContact OG-NZ 2.92Å; C136-K140 PolarHBondContact O-N 3.24Å; C136-K140 VanDerWaalsContact O-N 3.14Å; K140-D142 PolarHBondContact O-N 3.15Å; K140-V143 PolarHBondContact O-N 2.04Å
141	P	64.7	Low	75.1	Confident	57 Å²	57	76.7 Å²	76.7	37%	0.37	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-16.1	-179.4	29.4	-35.9	0	0	0	113.1	V143 D144	P141-V143 PolarHBondContact O-N 3.38Å; P141-D144 CarbonylContact C-O 3.6Å; P141-D144 CarbonylContact O-C 3.34Å; P141-D144 PolarHBondContact O-N 3.25Å; P141-D144 VanDerWaalsContact O-N 3.08Å
142	D	62.7	Low	74.6	Confident	164 Å²	164	79.4 Å²	79.4	88%	0.877	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-18.8	176	-62.6	-26.1	0	0	0	112.9	K140	K140-D142 PolarHBondContact O-N 3.15Å
143	V	56.5	Low	74.3	Confident	85 Å²	85	79.8 Å²	79.8	52%	0.515	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-23.8	179	-171.3	0	0	0	0	112.4	K140 P141	K140-V143 PolarHBondContact O-N 2.04Å; P141-V143 PolarHBondContact O-N 3.38Å
144	D	49.8	Very low	74	Confident	93 Å²	93	82.7 Å²	82.7	50%	0.497	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-135.7	115.1	-176.2	-163	17.1	0	0	0	110.1	S137 P141 G146	S137-D144 WeakPolarHBondContact CB-OD2 3.24Å; P141-D144 CarbonylContact C-O 3.6Å; P141-D144 CarbonylContact O-C 3.34Å; P141-D144 PolarHBondContact O-N 3.25Å; P141-D144 VanDerWaalsContact O-N 3.08Å; D144-G146 PolarHBondContact O-N 2.66Å
145	Y	53.8	Low	73.8	Confident	225 Å²	225	88.8 Å²	88.8	88%	0.882	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	88.5	-164	-131.3	-100.6	0	0	0	112.5	Y147	Y145-Y147 PolarHBondContact O-N 2.94Å
146	G	55.7	Low	73.7	Confident	46 Å²	46	89.4 Å²	89.4	47%	0.474	45%	0.454	S	S	.	.			trans	-71.4	34	-168.8	0	0	0	0	0	117.6	D144 Q148	D144-G146 PolarHBondContact O-N 2.66Å; G146-Q148 VanDerWaalsContact C-N 3.33Å
147	Y	57.8	Low	73.8	Confident	208 Å²	208	93.1 Å²	93.1	82%	0.816	47%	0.473	S	S	*	.	S	Bend	trans	-82.7	-6.5	-179.8	-153.9	-100	0	0	0	113.9	Y145	Y145-Y147 PolarHBondContact O-N 2.94Å
148	Q	68.8	Low	74.2	Confident	122 Å²	122	95.7 Å²	95.7	57%	0.57	49%	0.489	S	S	*	.			trans	-111	1.3	-174	-66	-167.2	-21.3	0	0	116	G146 F150 W151 D152	G146-Q148 VanDerWaalsContact C-N 3.33Å; Q148-F150 PolarHBondContact O-N 3.03Å; Q148-W151 PolarHBondContact O-N 3.18Å; Q148-D152 PolarHBondContact O-N 3.14Å
149	V	73.9	Confident	74.6	Confident	57 Å²	57	103 Å²	103	35%	0.345	52%	0.52	S	S	.	.	H	α-helix	trans	-49.4	-37.8	-179.8	178.8	0	0	0	0	112.7	E153 W205	V149-E153 WeakPolarHBondContact O-CB 3.4Å; V149-E153 PolarHBondContact O-N 3.45Å; V149-W205 HydrophobicContact CB-CE3 4.45Å; V149-W205 HydrophobicContact CG1-CB 3.88Å; V149-W205 HydrophobicContact CG1-CD2 4.17Å; V149-W205 HydrophobicContact CG1-CE3 3.87Å; V149-W205 HydrophobicContact CG1-CG 4.19Å; V149-W205 HydrophobicContact CG2-CE3 4.37Å
150	F	79.8	Confident	75.1	Confident	143 Å²	143	104.5 Å²	104.5	63%	0.627	53%	0.534	S	S	*	.	H	α-helix	trans	-61.7	-45.3	176.4	175.2	-97.2	0	0	0	113.2	Q148 A154	Q148-F150 PolarHBondContact O-N 3.03Å; F150-A154 VanDerWaalsContact O-CB 3.27Å; F150-A154 WeakPolarHBondContact O-CB 3.2Å; F150-A154 PolarHBondContact O-N 3.26Å
151	W	81.8	Confident	76.1	Confident	153 Å²	153	102.2 Å²	102.2	58%	0.58	52%	0.524	S	S	*	.	H	α-helix	trans	-76.4	-37.3	-178.7	-63.1	112.3	0	0	0	111.4	Q148 E153 A154 L155	Q148-W151 PolarHBondContact O-N 3.18Å; W151-E153 VanDerWaalsContact C-N 3.26Å; W151-E153 PolarHBondContact O-N 2.99Å; W151-A154 PolarHBondContact O-N 3.21Å; W151-L155 HydrophobicContact CB-CD1 4.25Å; W151-L155 HydrophobicContact CE3-CD1 4.02Å; W151-L155 WeakPolarHBondContact O-CB 3.25Å; W151-L155 WeakPolarHBondContact O-CD1 3.26Å; W151-L155 PolarHBondContact O-N 2.83Å
152	D	83.8	Confident	77.4	Confident	65 Å²	65	106.2 Å²	106.2	35%	0.348	54%	0.538	S	S	.	.	H	α-helix	trans	-63.8	-37	178	-59.3	-34.6	0	0	0	111.1	Q148 C156 W205	Q148-D152 PolarHBondContact O-N 3.14Å; D152-C156 WeakPolarHBondContact O-CB 3.35Å; D152-C156 PolarHBondContact O-N 2.83Å; D152-W205 HydrophobicContact CB-CH2 3.27Å; D152-W205 HydrophobicContact CB-CZ2 3.34Å; D152-W205 HydrophobicContact CB-CZ3 3.95Å
153	E	84.2	Confident	78.8	Confident	74 Å²	74	102 Å²	102	35%	0.346	53%	0.526	S	S	.	.	H	α-helix	trans	-70.8	-46.6	172.2	176.6	56.8	-178.8	0	0	112.3	V149 W151 L155 C156 W205	V149-E153 WeakPolarHBondContact O-CB 3.4Å; V149-E153 PolarHBondContact O-N 3.45Å; W151-E153 VanDerWaalsContact C-N 3.26Å; W151-E153 PolarHBondContact O-N 2.99Å; E153-L155 VanDerWaalsContact C-N 3.31Å; E153-L155 PolarHBondContact O-N 2.57Å; E153-C156 VanDerWaalsContact O-CB 3.24Å; E153-C156 WeakPolarHBondContact O-CB 3.29Å; E153-C156 PolarHBondContact O-N 3.14Å; E153-W205 HydrophobicContact CB-CG 4.27Å; E153-W205 PolarHBondContact OE2-NE1 2.92Å
154	A	87.2	Confident	80.5	Confident	67 Å²	67	99.1 Å²	99.1	55%	0.554	51%	0.507	S	S	*	.	H	α-helix	trans	-66.3	-30.4	-177.7	0	0	0	0	0	113.8	F150 W151	F150-A154 VanDerWaalsContact O-CB 3.27Å; F150-A154 WeakPolarHBondContact O-CB 3.2Å; F150-A154 PolarHBondContact O-N 3.26Å; W151-A154 PolarHBondContact O-N 3.21Å
155	L	88.8	Confident	82.6	Confident	131 Å²	131	96.4 Å²	96.4	69%	0.686	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.4	14.2	176.9	-73.3	91.6	0	0	0	112.7	W151 E153 D157	W151-L155 HydrophobicContact CB-CD1 4.25Å; W151-L155 HydrophobicContact CE3-CD1 4.02Å; W151-L155 WeakPolarHBondContact O-CB 3.25Å; W151-L155 WeakPolarHBondContact O-CD1 3.26Å; W151-L155 PolarHBondContact O-N 2.83Å; E153-L155 VanDerWaalsContact C-N 3.31Å; E153-L155 PolarHBondContact O-N 2.57Å; L155-D157 PolarHBondContact O-N 3.06Å
156	C	90.4	Very high	84.6	Confident	30 Å²	30	92.3 Å²	92.3	20%	0.203	48%	0.482	C	S	.	.			trans	-64.3	129	-176.5	-171.8	0	0	0	0	112.6	D152 E153 F161 C201	D152-C156 WeakPolarHBondContact O-CB 3.35Å; D152-C156 PolarHBondContact O-N 2.83Å; E153-C156 VanDerWaalsContact O-CB 3.24Å; E153-C156 WeakPolarHBondContact O-CB 3.29Å; E153-C156 PolarHBondContact O-N 3.14Å; C156-F161 WeakPolarHBondContact SG-CE2 3.47Å; C156-C201 HydrophobicContact CB-CB 3.69Å; C156-C201 WeakPolarHBondContact CB-SG 2.92Å; C156-C201 WeakPolarHBondContact SG-CA 2.93Å; C156-C201 WeakPolarHBondContact SG-CB 3.37Å; C156-C201 CovalentContact SG-SG 2.03Å; C156-C201 PolarHBondContact SG-SG 3.41Å
157	D	92.3	Very high	86.5	Confident	83 Å²	83	94.3 Å²	94.3	44%	0.444	48%	0.48	S	S	.	.			trans	-98.4	116.2	169.6	177.9	16.1	0	0	0	110	L155 K159 S160	L155-D157 PolarHBondContact O-N 3.06Å; D157-K159 PolarHBondContact O-N 3.16Å; D157-K159 VanDerWaalsContact O-N 3.09Å; D157-K159 PolarHBondContact OD1-N 2.67Å; D157-K159 VanDerWaalsContact OD1-N 3.13Å; D157-S160 WeakPolarHBondContact O-CB 3.47Å; D157-S160 PolarHBondContact O-N 3.11Å; D157-S160 PolarHBondContact O-OG 3.13Å
158	P	92	Very high	88.4	Confident	92 Å²	92	84.5 Å²	84.5	60%	0.597	44%	0.441	S	S	*	.	H	α-helix	trans	-55.3	-29.8	178.2	-26.9	34.7	0	0	0	114.1	S160 F161	P158-S160 PolarHBondContact O-N 3.3Å; P158-F161 PolarHBondContact O-N 3.15Å
159	K	92.5	Very high	89.7	Confident	158 Å²	158	80.6 Å²	80.6	69%	0.687	42%	0.423	S	S	*	.	H	α-helix	trans	-67.5	-27.5	179.1	-62.3	178.4	-179.6	176.2	0	112.6	D157 F161 E162	D157-K159 PolarHBondContact O-N 3.16Å; D157-K159 VanDerWaalsContact O-N 3.09Å; D157-K159 PolarHBondContact OD1-N 2.67Å; D157-K159 VanDerWaalsContact OD1-N 3.13Å; K159-F161 PolarHBondContact O-N 2.71Å; K159-E162 PolarHBondContact O-N 3.16Å
160	S	88.4	Confident	90.8	Very high	70 Å²	70	81.6 Å²	81.6	49%	0.49	43%	0.426	S	S	.	.	H	α-helix	trans	-64.1	-27.7	177	71.9	0	0	0	0	112.2	D157 P158	D157-S160 WeakPolarHBondContact O-CB 3.47Å; D157-S160 PolarHBondContact O-N 3.11Å; D157-S160 PolarHBondContact O-OG 3.13Å; P158-S160 PolarHBondContact O-N 3.3Å
161	F	92.3	Very high	91.6	Very high	23 Å²	23	75.1 Å²	75.1	10%	0.101	40%	0.398	C	S	.	.	H	α-helix	trans	-85	-15.6	179.9	-81.7	-73.6	0	0	0	114.3	C156 P158 K159 A163 I164 S165 L199 Y204	C156-F161 WeakPolarHBondContact SG-CE2 3.47Å; P158-F161 PolarHBondContact O-N 3.15Å; K159-F161 PolarHBondContact O-N 2.71Å; F161-A163 PolarHBondContact O-N 3.48Å; F161-I164 HydrophobicContact CB-CG2 4.49Å; F161-I164 HydrophobicContact CD1-CG2 3.7Å; F161-I164 HydrophobicContact CE1-CG2 4.39Å; F161-I164 WeakPolarHBondContact O-CG2 3.4Å; F161-I164 PolarHBondContact O-N 2.94Å; F161-S165 WeakPolarHBondContact O-CB 3.38Å; F161-S165 PolarHBondContact O-N 3.5Å; F161-L199 WeakPolarHBondContact CB-O 3.16Å; F161-L199 HydrophobicContact CD1-CB 4.25Å; F161-Y204 HydrophobicContact CD1-CD2 4.35Å; F161-Y204 HydrophobicContact CE1-CD1 4.36Å; F161-Y204 AromaticContact CE1-CD2 3.26Å; F161-Y204 HydrophobicContact CE1-CD2 3.26Å; F161-Y204 AromaticContact CE1-CE2 3.71Å; F161-Y204 HydrophobicContact CE1-CE2 3.71Å; F161-Y204 AromaticContact CE1-CG 3.61Å; F161-Y204 HydrophobicContact CE1-CG 3.61Å; F161-Y204 AromaticContact CZ-CD1 3.92Å; F161-Y204 HydrophobicContact CZ-CD1 3.92Å; F161-Y204 AromaticContact CZ-CD2 3.66Å; F161-Y204 HydrophobicContact CZ-CD2 3.66Å; F161-Y204 HydrophobicContact CZ-CE1 4.46Å; F161-Y204 HydrophobicContact CZ-CE2 4.19Å; F161-Y204 AromaticContact CZ-CG 3.48Å; F161-Y204 HydrophobicContact CZ-CG 3.48Å; F161-Y204 VanDerWaalsContact CZ-CG 3.48Å
162	E	92.6	Very high	92.2	Very high	142 Å²	142	68 Å²	68	66%	0.664	37%	0.371	S	S	*	.	H	α-helix	trans	-61.3	-44.9	-178.3	-172.9	-178.4	171.6	0	0	111.8	K159 K166	K159-E162 PolarHBondContact O-N 3.16Å; E162-K166 VanDerWaalsContact O-CB 3.29Å; E162-K166 WeakPolarHBondContact O-CB 3.32Å; E162-K166 PolarHBondContact O-N 3.45Å
163	A	92.3	Very high	92.8	Very high	74 Å²	74	69.1 Å²	69.1	61%	0.612	38%	0.377	S	S	*	.	H	α-helix	trans	-65.4	-44.4	-178.6	0	0	0	0	0	112	F161 Q167	F161-A163 PolarHBondContact O-N 3.48Å; A163-Q167 WeakPolarHBondContact O-CB 3.45Å; A163-Q167 PolarHBondContact O-N 3.13Å
164	I	93.1	Very high	93.3	Very high	25 Å²	25	71 Å²	71	13%	0.128	39%	0.385	C	S	.	.	H	α-helix	trans	-75.7	-36.5	-177.9	-162.4	173	0	0	0	112.4	P132 L133 F161 Q167 C168 L199	P132-I164 HydrophobicContact CB-CD1 3.39Å; L133-I164 HydrophobicContact CB-CD1 4.37Å; L133-I164 HydrophobicContact CB-CG1 4.31Å; F161-I164 HydrophobicContact CB-CG2 4.49Å; F161-I164 HydrophobicContact CD1-CG2 3.7Å; F161-I164 HydrophobicContact CE1-CG2 4.39Å; F161-I164 WeakPolarHBondContact O-CG2 3.4Å; F161-I164 PolarHBondContact O-N 2.94Å; I164-Q167 PolarHBondContact O-N 3.07Å; I164-C168 PolarHBondContact O-N 3.38Å; I164-L199 HydrophobicContact CG1-CD1 4.43Å; I164-L199 HydrophobicContact CG2-CB 4.35Å
165	S	93.6	Very high	93.7	Very high	37 Å²	37	68 Å²	68	26%	0.259	36%	0.359	S	S	.	.	H	α-helix	trans	-61.2	-47.1	173.2	178.5	0	0	0	0	110.5	F161 Q167 C168 E169	F161-S165 WeakPolarHBondContact O-CB 3.38Å; F161-S165 PolarHBondContact O-N 3.5Å; S165-Q167 PolarHBondContact O-N 3.41Å; S165-C168 VanDerWaalsContact O-CB 3.26Å; S165-C168 WeakPolarHBondContact O-CB 3.36Å; S165-C168 PolarHBondContact O-N 3.37Å; S165-C168 VanDerWaalsContact O-N 3.1Å; S165-E169 PolarHBondContact O-N 3.36Å; S165-E169 VanDerWaalsContact O-N 3.15Å
166	K	95.6	Very high	94.1	Very high	138 Å²	138	62.2 Å²	62.2	60%	0.6	33%	0.329	S	S	*	.	H	α-helix	trans	-62.2	-41.8	174.8	-174.6	175.6	-179	176.3	0	112.6	E162 C168 E169 D170	E162-K166 VanDerWaalsContact O-CB 3.29Å; E162-K166 WeakPolarHBondContact O-CB 3.32Å; E162-K166 PolarHBondContact O-N 3.45Å; K166-C168 PolarHBondContact O-N 3.29Å; K166-E169 WeakPolarHBondContact O-CB 3.27Å; K166-E169 PolarHBondContact O-N 2.86Å; K166-D170 PolarHBondContact O-N 3.24Å; K166-D170 VanDerWaalsContact O-N 3.07Å
167	Q	95.9	Very high	94.1	Very high	89 Å²	89	63.1 Å²	63.1	42%	0.416	33%	0.334	S	S	.	.	H	α-helix	trans	-60.2	-36.5	175	-175.2	-177.5	-0.6	0	0	111.6	A163 I164 S165 D170 I171	A163-Q167 WeakPolarHBondContact O-CB 3.45Å; A163-Q167 PolarHBondContact O-N 3.13Å; I164-Q167 PolarHBondContact O-N 3.07Å; S165-Q167 PolarHBondContact O-N 3.41Å; Q167-D170 PolarHBondContact O-N 3.06Å; Q167-I171 HydrophobicContact CG-CD1 4.02Å; Q167-I171 WeakPolarHBondContact O-CD1 3.39Å; Q167-I171 VanDerWaalsContact O-CG1 3.29Å; Q167-I171 WeakPolarHBondContact O-CG1 3.36Å; Q167-I171 PolarHBondContact O-N 3.14Å
168	C	97.1	Very high	93.7	Very high	1 Å²	1	65.1 Å²	65.1	1%	0.007	36%	0.355	C	S	.	.	H	α-helix	trans	-61.4	-48	174.9	-171.6	0	0	0	0	111.8	L133 I164 S165 K166 D170 I171 L172 C196 L199	L133-C168 HydrophobicContact CD1-CB 3.87Å; L133-C168 HydrophobicContact CG-CB 4.03Å; I164-C168 PolarHBondContact O-N 3.38Å; S165-C168 VanDerWaalsContact O-CB 3.26Å; S165-C168 WeakPolarHBondContact O-CB 3.36Å; S165-C168 PolarHBondContact O-N 3.37Å; S165-C168 VanDerWaalsContact O-N 3.1Å; K166-C168 PolarHBondContact O-N 3.29Å; C168-D170 VanDerWaalsContact C-N 3.32Å; C168-D170 PolarHBondContact O-N 3.06Å; C168-I171 PolarHBondContact O-N 2.79Å; C168-I171 VanDerWaalsContact O-N 3.11Å; C168-L172 WeakPolarHBondContact O-CG 3.29Å; C168-L172 PolarHBondContact O-N 2.98Å; C168-C196 VanDerWaalsContact C-SG 3.51Å; C168-C196 HydrophobicContact CB-CB 3.81Å; C168-C196 WeakPolarHBondContact CB-SG 3.35Å; C168-C196 WeakPolarHBondContact SG-CA 3.31Å; C168-C196 WeakPolarHBondContact SG-CB 3.5Å; C168-C196 CovalentContact SG-SG 2.04Å; C168-C196 PolarHBondContact SG-SG 2.82Å; C168-L199 HydrophobicContact CB-CD1 3.53Å
169	E	96.2	Very high	93.1	Very high	40 Å²	40	62.4 Å²	62.4	19%	0.187	34%	0.344	C	S	.	.	H	α-helix	trans	-57.2	-44.5	175.4	-68	-49.3	133.5	0	0	113.2	S165 K166 I171 L172 N173 R188 Q192 C196	S165-E169 PolarHBondContact O-N 3.36Å; S165-E169 VanDerWaalsContact O-N 3.15Å; K166-E169 WeakPolarHBondContact O-CB 3.27Å; K166-E169 PolarHBondContact O-N 2.86Å; E169-I171 VanDerWaalsContact C-N 3.25Å; E169-I171 PolarHBondContact O-N 2.77Å; E169-L172 PolarHBondContact O-N 3.39Å; E169-N173 PolarHBondContact O-N 3.18Å; E169-N173 PolarHBondContact O-ND2 3.35Å; E169-R188 IonicContact OE2-NH1 3.16Å; E169-R188 PolarHBondContact OE2-NH1 3.41Å; E169-R188 VanDerWaalsContact OE2-NH1 3.16Å; E169-Q192 PolarHBondContact OE1-NE2 3.25Å; E169-Q192 PolarHBondContact OE1-OE1 3.08Å; E169-Q192 PolarHBondContact OE2-OE1 3.24Å; E169-C196 WeakPolarHBondContact OE1-CB 3.27Å
170	D	96.2	Very high	92.4	Very high	78 Å²	78	63 Å²	63	42%	0.417	35%	0.354	S	S	.	.	H	α-helix	trans	-63.7	-33.9	179.3	-73.8	-17.9	0	0	0	111.6	K166 Q167 C168 K174	K166-D170 PolarHBondContact O-N 3.24Å; K166-D170 VanDerWaalsContact O-N 3.07Å; Q167-D170 PolarHBondContact O-N 3.06Å; C168-D170 VanDerWaalsContact C-N 3.32Å; C168-D170 PolarHBondContact O-N 3.06Å; D170-K174 WeakPolarHBondContact O-CG 3.4Å; D170-K174 PolarHBondContact O-N 2.8Å
171	I	96.2	Very high	92.4	Very high	7 Å²	7	62.7 Å²	62.7	4%	0.036	35%	0.347	C	S	.	.	H	α-helix	trans	-71.3	-43.7	174.4	-69.9	160.7	0	0	0	110.6	P68 F69 Y130 L133 Q167 C168 E169 N173 K174 C175	P68-I171 HydrophobicContact CG-CG1 4.07Å; P68-I171 HydrophobicContact CG-CG2 3.83Å; F69-I171 HydrophobicContact CD2-CG2 3.95Å; F69-I171 HydrophobicContact CE2-CG2 3.51Å; F69-I171 HydrophobicContact CZ-CD1 4.36Å; F69-I171 HydrophobicContact CZ-CG2 3.82Å; Y130-I171 HydrophobicContact CD1-CD1 3.68Å; Y130-I171 HydrophobicContact CE1-CD1 3.56Å; Y130-I171 HydrophobicContact CE1-CG1 4.38Å; L133-I171 HydrophobicContact CD1-CD1 3.33Å; Q167-I171 HydrophobicContact CG-CD1 4.02Å; Q167-I171 WeakPolarHBondContact O-CD1 3.39Å; Q167-I171 VanDerWaalsContact O-CG1 3.29Å; Q167-I171 WeakPolarHBondContact O-CG1 3.36Å; Q167-I171 PolarHBondContact O-N 3.14Å; C168-I171 PolarHBondContact O-N 2.79Å; C168-I171 VanDerWaalsContact O-N 3.11Å; E169-I171 VanDerWaalsContact C-N 3.25Å; E169-I171 PolarHBondContact O-N 2.77Å; I171-N173 VanDerWaalsContact C-N 3.27Å; I171-N173 PolarHBondContact O-N 3.29Å; I171-K174 PolarHBondContact O-N 2.86Å; I171-C175 PolarHBondContact O-N 3.27Å; I171-C175 PolarHBondContact O-SG 2.92Å
172	L	95.7	Very high	92.5	Very high	4 Å²	4	66.1 Å²	66.1	2%	0.021	37%	0.374	C	S	.	.	H	α-helix	trans	-58.6	-40.6	176.1	-66	-167.1	0	0	0	111.7	C168 E169 K174 C175 I176 L191 L195 C196	C168-L172 WeakPolarHBondContact O-CG 3.29Å; C168-L172 PolarHBondContact O-N 2.98Å; E169-L172 PolarHBondContact O-N 3.39Å; L172-K174 VanDerWaalsContact C-N 3.29Å; L172-K174 PolarHBondContact O-N 2.66Å; L172-C175 PolarHBondContact O-N 2.83Å; L172-C175 VanDerWaalsContact O-N 3.16Å; L172-I176 HydrophobicContact CB-CD1 4.47Å; L172-I176 WeakPolarHBondContact O-CG1 3.47Å; L172-I176 PolarHBondContact O-N 2.75Å; L172-L191 HydrophobicContact CD1-CB 4.01Å; L172-L191 HydrophobicContact CD2-CB 3.78Å; L172-L191 HydrophobicContact CD2-CD1 4.1Å; L172-L191 HydrophobicContact CD2-CG 4.44Å; L172-L195 HydrophobicContact CD2-CD1 4.45Å; L172-C196 WeakPolarHBondContact CD1-SG 3.45Å
173	N	95	Very high	92.6	Very high	88 Å²	88	61.4 Å²	61.4	47%	0.471	36%	0.357	S	S	.	.	H	α-helix	trans	-59.8	-35.7	173.6	-79.3	-40.5	0	0	0	113.5	E169 I171 R188	E169-N173 PolarHBondContact O-N 3.18Å; E169-N173 PolarHBondContact O-ND2 3.35Å; I171-N173 VanDerWaalsContact C-N 3.27Å; I171-N173 PolarHBondContact O-N 3.29Å; N173-R188 PolarHBondContact OD1-NH2 3.05Å
174	K	95.8	Very high	92.7	Very high	115 Å²	115	58.1 Å²	58.1	50%	0.5	33%	0.329	S	S	.	.	H	α-helix	trans	-77.1	-26.9	177	-70.3	170.2	-175.1	173.6	0	112.5	N64 D170 I171 L172	N64-K174 VanDerWaalsContact CB-O 3.27Å; N64-K174 WeakPolarHBondContact CB-O 3.42Å; N64-K174 PolarHBondContact ND2-O 2.9Å; D170-K174 WeakPolarHBondContact O-CG 3.4Å; D170-K174 PolarHBondContact O-N 2.8Å; I171-K174 PolarHBondContact O-N 2.86Å; L172-K174 VanDerWaalsContact C-N 3.29Å; L172-K174 PolarHBondContact O-N 2.66Å
175	C	96.6	Very high	92.8	Very high	3 Å²	3	61 Å²	61	2%	0.02	35%	0.348	C	S	.	.	H	α-helix	trans	-89.3	-35.6	-174.3	-63.2	0	0	0	0	114.2	F56 N64 C67 I171 L172	F56-C175 HydrophobicContact CZ-CB 4.14Å; N64-C175 WeakPolarHBondContact CB-O 3.4Å; N64-C175 PolarHBondContact N-O 3.29Å; C67-C175 HydrophobicContact CB-CB 3.73Å; C67-C175 WeakPolarHBondContact CB-SG 3.47Å; C67-C175 WeakPolarHBondContact SG-CB 3.49Å; C67-C175 CovalentContact SG-SG 2.03Å; C67-C175 PolarHBondContact SG-SG 2.8Å; I171-C175 PolarHBondContact O-N 3.27Å; I171-C175 PolarHBondContact O-SG 2.92Å; L172-C175 PolarHBondContact O-N 2.83Å; L172-C175 VanDerWaalsContact O-N 3.16Å
176	I	95.4	Very high	92.9	Very high	10 Å²	10	63.1 Å²	63.1	5%	0.051	35%	0.354	C	S	.	.	S	Bend	trans	-93.8	126.7	-177.7	-54.5	172.6	0	0	0	108.3	L172 L187 R188 L191	L172-I176 HydrophobicContact CB-CD1 4.47Å; L172-I176 WeakPolarHBondContact O-CG1 3.47Å; L172-I176 PolarHBondContact O-N 2.75Å; I176-L187 HydrophobicContact CD1-CG 4.4Å; I176-L187 HydrophobicContact CG1-CD2 4.25Å; I176-L187 HydrophobicContact CG1-CG 4.46Å; I176-R188 VanDerWaalsContact CD1-CA 3.43Å; I176-R188 HydrophobicContact CD1-CB 3.63Å; I176-R188 HydrophobicContact CD1-CG 4.11Å; I176-L191 HydrophobicContact CD1-CD1 4.04Å; I176-L191 HydrophobicContact CG1-CD1 4.27Å
177	P	90.2	Very high	92.9	Very high	48 Å²	48	56.6 Å²	56.6	31%	0.312	33%	0.325	S	S	.	.			trans	-61	141.4	175.5	26.1	-33	0	0	0	110.4	V61 G179	V61-P177 HydrophobicContact CG1-CG 3.69Å; P177-G179 PolarHBondContact O-N 2.93Å
178	S	84.2	Confident	92.9	Very high	126 Å²	126	55.8 Å²	55.8	88%	0.881	32%	0.319	S	S	*	.			trans	-72.8	33.7	-176.6	-49.9	0	0	0	0	114.4
179	G	79.2	Confident	92.8	Very high	35 Å²	35	62.1 Å²	62.1	36%	0.361	35%	0.348	S	S	.	.			trans	-76.7	146.3	176.3	0	0	0	0	0	112.2	P177 D181	P177-G179 PolarHBondContact O-N 2.93Å; G179-D181 PolarHBondContact O-N 2.75Å
180	N	78.6	Confident	92.9	Very high	169 Å²	169	62.7 Å²	62.7	90%	0.904	35%	0.352	S	S	*	.			trans	-84	22.2	170.1	-71.7	-5.4	0	0	0	112.1
181	D	89.3	Confident	92.8	Very high	64 Å²	64	59 Å²	59	34%	0.342	33%	0.333	S	S	.	.			trans	-74.4	147.7	177.3	62.5	-58.7	0	0	0	111	G179 S183 S184 T185	G179-D181 PolarHBondContact O-N 2.75Å; D181-S183 PolarHBondContact O-N 3.2Å; D181-S183 WeakPolarHBondContact OD2-CB 3.38Å; D181-S184 PolarHBondContact O-N 3.16Å; D181-S184 WeakPolarHBondContact OD1-CB 3.36Å; D181-S184 PolarHBondContact OD1-OG 3.41Å; D181-S184 PolarHBondContact OD2-N 2.78Å; D181-S184 PolarHBondContact OD2-OG 3.1Å; D181-T185 PolarHBondContact O-N 3.33Å; D181-T185 VanDerWaalsContact O-N 3.13Å; D181-T185 PolarHBondContact O-OG1 3.29Å
182	S	93.5	Very high	92.8	Very high	96 Å²	96	60.6 Å²	60.6	67%	0.671	34%	0.34	S	S	*	.	H	α-helix	trans	-60	-33.1	179	54.8	0	0	0	0	111.8	T185 Q186	S182-T185 PolarHBondContact O-N 3.34Å; S182-Q186 WeakPolarHBondContact O-CB 3.29Å; S182-Q186 PolarHBondContact O-N 3.42Å
183	S	94.4	Very high	92.8	Very high	42 Å²	42	63.7 Å²	63.7	29%	0.294	36%	0.359	S	S	.	.	H	α-helix	trans	-69.7	-46.3	-179.3	-56.6	0	0	0	0	112.2	D181 T185 Q186 L187	D181-S183 PolarHBondContact O-N 3.2Å; D181-S183 WeakPolarHBondContact OD2-CB 3.38Å; S183-T185 VanDerWaalsContact C-N 3.31Å; S183-T185 PolarHBondContact O-N 3.32Å; S183-Q186 PolarHBondContact O-N 3.09Å; S183-L187 WeakPolarHBondContact O-CB 3.45Å; S183-L187 PolarHBondContact O-N 2.99Å
184	S	95	Very high	92.7	Very high	5 Å²	5	62.2 Å²	62.2	4%	0.035	35%	0.353	C	S	.	.	H	α-helix	trans	-61.7	-38.6	173.1	-62.8	0	0	0	0	112.3	D181 L187 R188	D181-S184 PolarHBondContact O-N 3.16Å; D181-S184 WeakPolarHBondContact OD1-CB 3.36Å; D181-S184 PolarHBondContact OD1-OG 3.41Å; D181-S184 PolarHBondContact OD2-N 2.78Å; D181-S184 PolarHBondContact OD2-OG 3.1Å; S184-L187 PolarHBondContact O-N 3.24Å; S184-R188 WeakPolarHBondContact O-CB 2.99Å; S184-R188 PolarHBondContact O-N 3.42Å
185	T	94.1	Very high	92.7	Very high	85 Å²	85	57.3 Å²	57.3	52%	0.521	33%	0.332	S	S	.	.	H	α-helix	trans	-63.8	-46.1	175.8	-54.3	0	0	0	0	111.4	D181 S182 S183 R188 Q189	D181-T185 PolarHBondContact O-N 3.33Å; D181-T185 VanDerWaalsContact O-N 3.13Å; D181-T185 PolarHBondContact O-OG1 3.29Å; S182-T185 PolarHBondContact O-N 3.34Å; S183-T185 VanDerWaalsContact C-N 3.31Å; S183-T185 PolarHBondContact O-N 3.32Å; T185-R188 PolarHBondContact O-N 3.31Å; T185-Q189 PolarHBondContact O-N 2.05Å
186	Q	95.7	Very high	92.6	Very high	83 Å²	83	57.2 Å²	57.2	39%	0.388	33%	0.332	S	S	.	.	H	α-helix	trans	-63	-43.8	176.5	-176.3	-179.6	3	0	0	111.6	T59 S182 S183 R188 Q189 L190	T59-Q186 HydrophobicContact CG2-CG 4.47Å; S182-Q186 WeakPolarHBondContact O-CB 3.29Å; S182-Q186 PolarHBondContact O-N 3.42Å; S183-Q186 PolarHBondContact O-N 3.09Å; Q186-R188 VanDerWaalsContact C-N 3.33Å; Q186-R188 PolarHBondContact O-N 3.35Å; Q186-Q189 PolarHBondContact O-N 3.1Å; Q186-L190 HydrophobicContact CG-CD1 4.09Å; Q186-L190 VanDerWaalsContact O-CG 3.32Å; Q186-L190 WeakPolarHBondContact O-CG 3.24Å; Q186-L190 PolarHBondContact O-N 2.92Å
187	L	96.5	Very high	92.6	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-60.7	-43.8	176.4	178	60.6	0	0	0	111.4	L55 F56 T59 V61 I176 S183 S184 Q189 L190 L191	L55-L187 HydrophobicContact CB-CD1 3.9Å; F56-L187 HydrophobicContact CD1-CD2 3.59Å; F56-L187 HydrophobicContact CD2-CD1 4.41Å; F56-L187 HydrophobicContact CD2-CD2 4.49Å; F56-L187 HydrophobicContact CE1-CD2 3.5Å; F56-L187 VanDerWaalsContact CE1-CD2 3.5Å; F56-L187 HydrophobicContact CE2-CD2 4.41Å; F56-L187 HydrophobicContact CG-CD1 4.47Å; F56-L187 HydrophobicContact CG-CD2 4.1Å; F56-L187 HydrophobicContact CZ-CD2 3.93Å; T59-L187 HydrophobicContact CG2-CB 3.93Å; T59-L187 HydrophobicContact CG2-CD1 4.28Å; V61-L187 HydrophobicContact CB-CD2 3.75Å; V61-L187 HydrophobicContact CG1-CD2 3.87Å; V61-L187 HydrophobicContact CG2-CB 4.5Å; V61-L187 HydrophobicContact CG2-CD2 4.24Å; I176-L187 HydrophobicContact CD1-CG 4.4Å; I176-L187 HydrophobicContact CG1-CD2 4.25Å; I176-L187 HydrophobicContact CG1-CG 4.46Å; S183-L187 WeakPolarHBondContact O-CB 3.45Å; S183-L187 PolarHBondContact O-N 2.99Å; S184-L187 PolarHBondContact O-N 3.24Å; L187-Q189 PolarHBondContact O-N 2.96Å; L187-L190 PolarHBondContact O-N 2.97Å; L187-L191 HydrophobicContact CD1-CD1 3.7Å; L187-L191 HydrophobicContact CD1-CG 3.96Å; L187-L191 HydrophobicContact CD2-CD1 4.43Å; L187-L191 HydrophobicContact CG-CD1 3.82Å; L187-L191 HydrophobicContact CG-CG 4.45Å; L187-L191 WeakPolarHBondContact O-CB 3.01Å; L187-L191 PolarHBondContact O-N 3.43Å
188	R	96.1	Very high	92.8	Very high	72 Å²	72	59.5 Å²	59.5	27%	0.272	34%	0.34	S	S	.	.	H	α-helix	trans	-58.6	-48.7	176.4	-179.6	169	-117.7	-65.3	-5.4	110.8	E169 N173 I176 S184 T185 Q186 L190 L191 Q192	E169-R188 IonicContact OE2-NH1 3.16Å; E169-R188 PolarHBondContact OE2-NH1 3.41Å; E169-R188 VanDerWaalsContact OE2-NH1 3.16Å; N173-R188 PolarHBondContact OD1-NH2 3.05Å; I176-R188 VanDerWaalsContact CD1-CA 3.43Å; I176-R188 HydrophobicContact CD1-CB 3.63Å; I176-R188 HydrophobicContact CD1-CG 4.11Å; S184-R188 WeakPolarHBondContact O-CB 2.99Å; S184-R188 PolarHBondContact O-N 3.42Å; T185-R188 PolarHBondContact O-N 3.31Å; Q186-R188 VanDerWaalsContact C-N 3.33Å; Q186-R188 PolarHBondContact O-N 3.35Å; R188-L190 VanDerWaalsContact C-N 3.35Å; R188-L190 PolarHBondContact O-N 2.91Å; R188-L191 PolarHBondContact O-N 3.32Å; R188-Q192 WeakPolarHBondContact O-CB 3.1Å; R188-Q192 PolarHBondContact O-N 3.06Å
189	Q	95.9	Very high	93.3	Very high	135 Å²	135	53.8 Å²	53.8	63%	0.631	30%	0.3	S	S	*	.	H	α-helix	trans	-62	-41.7	178.4	-172.7	178.5	-5.8	0	0	112.3	T185 Q186 L187 Q192 T193	T185-Q189 PolarHBondContact O-N 2.05Å; Q186-Q189 PolarHBondContact O-N 3.1Å; L187-Q189 PolarHBondContact O-N 2.96Å; Q189-Q192 WeakPolarHBondContact O-CB 3.36Å; Q189-T193 WeakPolarHBondContact O-CB 3.47Å; Q189-T193 PolarHBondContact O-N 2.9Å; Q189-T193 PolarHBondContact O-OG1 3.33Å
190	L	96.4	Very high	94	Very high	52 Å²	52	53.6 Å²	53.6	27%	0.272	29%	0.293	S	S	.	.	H	α-helix	trans	-63	-50.6	177.4	-71.9	168.2	0	0	0	111.5	L55 Y58 T59 Q186 L187 R188 Q192 T193 T194	L55-L190 HydrophobicContact CD1-CB 4.35Å; L55-L190 HydrophobicContact CD2-CB 4.26Å; L55-L190 HydrophobicContact CD2-CD1 4.25Å; Y58-L190 HydrophobicContact CD1-CD1 4.16Å; Y58-L190 HydrophobicContact CE1-CD1 4.27Å; T59-L190 HydrophobicContact CG2-CD1 4.08Å; Q186-L190 HydrophobicContact CG-CD1 4.09Å; Q186-L190 VanDerWaalsContact O-CG 3.32Å; Q186-L190 WeakPolarHBondContact O-CG 3.24Å; Q186-L190 PolarHBondContact O-N 2.92Å; L187-L190 PolarHBondContact O-N 2.97Å; R188-L190 VanDerWaalsContact C-N 3.35Å; R188-L190 PolarHBondContact O-N 2.91Å; L190-Q192 VanDerWaalsContact C-N 3.35Å; L190-Q192 PolarHBondContact O-N 3.46Å; L190-T193 PolarHBondContact O-N 3.01Å; L190-T194 VanDerWaalsContact O-CB 3.24Å; L190-T194 WeakPolarHBondContact O-CB 3.48Å; L190-T194 PolarHBondContact O-N 2.87Å; L190-T194 PolarHBondContact O-OG1 3.42Å
191	L	96	Very high	94.6	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-65.5	-38.3	179.3	-72.7	169.9	0	0	0	112.3	V52 L55 F56 L172 I176 L187 R188 L195	V52-L191 HydrophobicContact CB-CD2 4.49Å; V52-L191 HydrophobicContact CG1-CD2 3.96Å; L55-L191 HydrophobicContact CB-CD2 4.45Å; L55-L191 HydrophobicContact CD1-CD2 3.68Å; L55-L191 HydrophobicContact CD1-CG 4.23Å; F56-L191 HydrophobicContact CE2-CD1 3.7Å; F56-L191 HydrophobicContact CZ-CD1 4.02Å; L172-L191 HydrophobicContact CD1-CB 4.01Å; L172-L191 HydrophobicContact CD2-CB 3.78Å; L172-L191 HydrophobicContact CD2-CD1 4.1Å; L172-L191 HydrophobicContact CD2-CG 4.44Å; I176-L191 HydrophobicContact CD1-CD1 4.04Å; I176-L191 HydrophobicContact CG1-CD1 4.27Å; L187-L191 HydrophobicContact CD1-CD1 3.7Å; L187-L191 HydrophobicContact CD1-CG 3.96Å; L187-L191 HydrophobicContact CD2-CD1 4.43Å; L187-L191 HydrophobicContact CG-CD1 3.82Å; L187-L191 HydrophobicContact CG-CG 4.45Å; L187-L191 WeakPolarHBondContact O-CB 3.01Å; L187-L191 PolarHBondContact O-N 3.43Å; R188-L191 PolarHBondContact O-N 3.32Å; L191-L195 HydrophobicContact CD2-CD1 3.92Å; L191-L195 VanDerWaalsContact O-CB 3.3Å; L191-L195 WeakPolarHBondContact O-CB 3.17Å; L191-L195 PolarHBondContact O-N 3.41Å
192	Q	96.2	Very high	94.6	Very high	40 Å²	40	47.8 Å²	47.8	19%	0.187	26%	0.263	C	S	.	.	H	α-helix	trans	-53.7	-58.4	173.8	-177.6	65.6	35.6	0	0	110.8	E169 R188 Q189 L190 T194 C196 D197	E169-Q192 PolarHBondContact OE1-NE2 3.25Å; E169-Q192 PolarHBondContact OE1-OE1 3.08Å; E169-Q192 PolarHBondContact OE2-OE1 3.24Å; R188-Q192 WeakPolarHBondContact O-CB 3.1Å; R188-Q192 PolarHBondContact O-N 3.06Å; Q189-Q192 WeakPolarHBondContact O-CB 3.36Å; L190-Q192 VanDerWaalsContact C-N 3.35Å; L190-Q192 PolarHBondContact O-N 3.46Å; Q192-T194 VanDerWaalsContact C-N 3.35Å; Q192-T194 PolarHBondContact O-N 3.24Å; Q192-C196 PolarHBondContact O-N 3.38Å; Q192-D197 PolarHBondContact NE2-OD1 3.26Å; Q192-D197 PolarHBondContact O-N 3Å
193	T	94.8	Very high	94.4	Very high	70 Å²	70	48.8 Å²	48.8	43%	0.429	25%	0.252	S	S	.	.	H	α-helix	trans	-69.5	-32.9	-175.2	-61.8	0	0	0	0	112.6	Q189 L190 D197 Q198	Q189-T193 WeakPolarHBondContact O-CB 3.47Å; Q189-T193 PolarHBondContact O-N 2.9Å; Q189-T193 PolarHBondContact O-OG1 3.33Å; L190-T193 PolarHBondContact O-N 3.01Å; T193-D197 VanDerWaalsContact CA-OD2 3.29Å; T193-D197 WeakPolarHBondContact CA-OD2 3.16Å; T193-D197 PolarHBondContact OG1-OD2 3.23Å; T193-Q198 PolarHBondContact O-NE2 3Å
194	T	93.2	Very high	94.3	Very high	57 Å²	57	47.7 Å²	47.7	35%	0.35	24%	0.242	S	C	.	.	H	α-helix	trans	-82	-31.5	-179.1	-58.9	0	0	0	0	113.6	I51 L190 Q192 Q198	I51-T194 HydrophobicContact CG2-CG2 3.36Å; L190-T194 VanDerWaalsContact O-CB 3.24Å; L190-T194 WeakPolarHBondContact O-CB 3.48Å; L190-T194 PolarHBondContact O-N 2.87Å; L190-T194 PolarHBondContact O-OG1 3.42Å; Q192-T194 VanDerWaalsContact C-N 3.35Å; Q192-T194 PolarHBondContact O-N 3.24Å; T194-Q198 WeakPolarHBondContact O-CG 3.48Å
195	L	94.5	Very high	93.9	Very high	11 Å²	11	49.7 Å²	49.7	6%	0.058	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.8	-66	-176.1	-58.5	175.8	0	0	0	112.4	I51 V52 L172 L191 Q198	I51-L195 HydrophobicContact CG2-CD2 4.17Å; V52-L195 HydrophobicContact CG2-CD1 3.79Å; V52-L195 HydrophobicContact CG2-CD2 4.21Å; L172-L195 HydrophobicContact CD2-CD1 4.45Å; L191-L195 HydrophobicContact CD2-CD1 3.92Å; L191-L195 VanDerWaalsContact O-CB 3.3Å; L191-L195 WeakPolarHBondContact O-CB 3.17Å; L191-L195 PolarHBondContact O-N 3.41Å; L195-Q198 WeakPolarHBondContact O-CB 2.97Å; L195-Q198 PolarHBondContact O-N 3.1Å
196	C	96	Very high	93.4	Very high	2 Å²	2	50 Å²	50	1%	0.014	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-74.3	-36.9	-166.2	-53.5	0	0	0	0	112.6	C168 E169 L172 Q192 Q198 L199	C168-C196 VanDerWaalsContact C-SG 3.51Å; C168-C196 HydrophobicContact CB-CB 3.81Å; C168-C196 WeakPolarHBondContact CB-SG 3.35Å; C168-C196 WeakPolarHBondContact SG-CA 3.31Å; C168-C196 WeakPolarHBondContact SG-CB 3.5Å; C168-C196 CovalentContact SG-SG 2.04Å; C168-C196 PolarHBondContact SG-SG 2.82Å; E169-C196 WeakPolarHBondContact OE1-CB 3.27Å; L172-C196 WeakPolarHBondContact CD1-SG 3.45Å; Q192-C196 PolarHBondContact O-N 3.38Å; C196-Q198 PolarHBondContact O-N 2.96Å; C196-L199 WeakPolarHBondContact O-CB 3.41Å; C196-L199 PolarHBondContact O-N 3.2Å
197	D	95	Very high	92.6	Very high	71 Å²	71	50.4 Å²	50.4	38%	0.38	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-67.7	-13.5	175.1	-66.3	-6.2	0	0	0	112.4	Q192 T193 L199 R203	Q192-D197 PolarHBondContact NE2-OD1 3.26Å; Q192-D197 PolarHBondContact O-N 3Å; T193-D197 VanDerWaalsContact CA-OD2 3.29Å; T193-D197 WeakPolarHBondContact CA-OD2 3.16Å; T193-D197 PolarHBondContact OG1-OD2 3.23Å; D197-L199 VanDerWaalsContact C-N 3.33Å; D197-R203 WeakPolarHBondContact O-CD 3.3Å
198	Q	93.6	Very high	91.4	Very high	34 Å²	34	53.4 Å²	53.4	16%	0.159	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-85.5	-7	174	-51.6	-58.7	-51.4	0	0	112.7	T193 T194 L195 C196 S200 R203 Y204	T193-Q198 PolarHBondContact O-NE2 3Å; T194-Q198 WeakPolarHBondContact O-CG 3.48Å; L195-Q198 WeakPolarHBondContact O-CB 2.97Å; L195-Q198 PolarHBondContact O-N 3.1Å; C196-Q198 PolarHBondContact O-N 2.96Å; Q198-S200 VanDerWaalsContact C-N 3.27Å; Q198-S200 PolarHBondContact O-N 2.86Å; Q198-S200 VanDerWaalsContact O-N 3.15Å; Q198-R203 CarbonylContact O-C 3.59Å; Q198-Y204 WeakPolarHBondContact O-CA 3.38Å; Q198-Y204 PolarHBondContact O-N 3.34Å
199	L	94.5	Very high	89.9	Confident	6 Å²	6	57.8 Å²	57.8	3%	0.031	30%	0.299	C	S	.	.			trans	-90.2	62.9	-179.3	-59.8	171.5	0	0	0	110.6	L133 R135 F161 I164 C168 C196 D197 Y204	L133-L199 HydrophobicContact CG-CD1 4.24Å; R135-L199 HydrophobicContact CG-CD2 4.26Å; F161-L199 WeakPolarHBondContact CB-O 3.16Å; F161-L199 HydrophobicContact CD1-CB 4.25Å; I164-L199 HydrophobicContact CG1-CD1 4.43Å; I164-L199 HydrophobicContact CG2-CB 4.35Å; C168-L199 HydrophobicContact CB-CD1 3.53Å; C196-L199 WeakPolarHBondContact O-CB 3.41Å; C196-L199 PolarHBondContact O-N 3.2Å; D197-L199 VanDerWaalsContact C-N 3.33Å; L199-Y204 HydrophobicContact CD2-CD2 4.01Å; L199-Y204 HydrophobicContact CD2-CE2 4.02Å
200	S	93.9	Very high	88	Confident	31 Å²	31	54 Å²	54	22%	0.217	29%	0.287	C	S	.	.	S	Bend	trans	-144.4	155	175.9	64.6	0	0	0	0	109.4	Q198 D202 R203 Y204	Q198-S200 VanDerWaalsContact C-N 3.27Å; Q198-S200 PolarHBondContact O-N 2.86Å; Q198-S200 VanDerWaalsContact O-N 3.15Å; S200-D202 VanDerWaalsContact C-N 3.27Å; S200-D202 WeakPolarHBondContact CB-OD1 3.43Å; S200-D202 PolarHBondContact O-N 3.1Å; S200-D202 PolarHBondContact OG-OD1 3.47Å; S200-R203 PolarHBondContact O-N 3.12Å; S200-R203 VanDerWaalsContact O-N 3.1Å; S200-Y204 WeakPolarHBondContact O-CB 3.45Å; S200-Y204 PolarHBondContact O-N 3.02Å
201	C	91.8	Very high	85.5	Confident	21 Å²	21	60.7 Å²	60.7	14%	0.142	32%	0.317	C	S	.	.	H	α-helix	trans	-48.9	-51.8	-179.9	-68.9	0	0	0	0	111.5	C156 R203	C156-C201 HydrophobicContact CB-CB 3.69Å; C156-C201 WeakPolarHBondContact CB-SG 2.92Å; C156-C201 WeakPolarHBondContact SG-CA 2.93Å; C156-C201 WeakPolarHBondContact SG-CB 3.37Å; C156-C201 CovalentContact SG-SG 2.03Å; C156-C201 PolarHBondContact SG-SG 3.41Å; C201-R203 VanDerWaalsContact C-N 3.25Å; C201-R203 PolarHBondContact O-N 3.21Å; C201-R203 VanDerWaalsContact O-N 3.11Å
202	D	89.5	Confident	83.1	Confident	90 Å²	90	65.4 Å²	65.4	48%	0.481	34%	0.341	S	S	.	.	H	α-helix	trans	-62.9	-23.9	-175.8	62.7	-53.8	0	0	0	114.9	S200 I206	S200-D202 VanDerWaalsContact C-N 3.27Å; S200-D202 WeakPolarHBondContact CB-OD1 3.43Å; S200-D202 PolarHBondContact O-N 3.1Å; S200-D202 PolarHBondContact OG-OD1 3.47Å; D202-I206 VanDerWaalsContact O-CD1 3.24Å; D202-I206 WeakPolarHBondContact O-CD1 3.45Å
203	R	90.2	Very high	80.9	Confident	117 Å²	117	72.6 Å²	72.6	44%	0.442	37%	0.374	S	S	.	.	H	α-helix	trans	-117.3	-20.7	-173.2	-67.3	176.8	-172.5	-87.3	0	114.6	R135 D197 Q198 S200 C201 W205 I206	R135-R203 PolarHBondContact NH2-O 2.9Å; D197-R203 WeakPolarHBondContact O-CD 3.3Å; Q198-R203 CarbonylContact O-C 3.59Å; S200-R203 PolarHBondContact O-N 3.12Å; S200-R203 VanDerWaalsContact O-N 3.1Å; C201-R203 VanDerWaalsContact C-N 3.25Å; C201-R203 PolarHBondContact O-N 3.21Å; C201-R203 VanDerWaalsContact O-N 3.11Å; R203-W205 PolarHBondContact O-N 3.15Å; R203-W205 VanDerWaalsContact O-N 3.14Å; R203-I206 HydrophobicContact CB-CD1 4.49Å; R203-I206 HydrophobicContact CG-CD1 4.27Å; R203-I206 PolarHBondContact O-N 3.15Å
204	Y	90.5	Very high	78.8	Confident	19 Å²	19	72.5 Å²	72.5	8%	0.075	37%	0.374	C	S	.	.	H	α-helix	trans	-59.5	-32.7	-172.1	-176.1	-94.4	0	0	0	112.9	P132 R135 V138 F161 Q198 L199 S200	P132-Y204 WeakPolarHBondContact O-CE2 3.32Å; P132-Y204 PolarHBondContact O-OH 3.34Å; R135-Y204 HydrophobicContact CB-CE2 4.31Å; R135-Y204 HydrophobicContact CG-CD2 3.76Å; R135-Y204 HydrophobicContact CG-CE2 3.53Å; R135-Y204 PolarHBondContact NE-O 2.93Å; R135-Y204 PolarHBondContact NH2-O 3.2Å; V138-Y204 HydrophobicContact CG2-CD1 4.05Å; V138-Y204 HydrophobicContact CG2-CE1 3.74Å; F161-Y204 HydrophobicContact CD1-CD2 4.35Å; F161-Y204 HydrophobicContact CE1-CD1 4.36Å; F161-Y204 AromaticContact CE1-CD2 3.26Å; F161-Y204 HydrophobicContact CE1-CD2 3.26Å; F161-Y204 AromaticContact CE1-CE2 3.71Å; F161-Y204 HydrophobicContact CE1-CE2 3.71Å; F161-Y204 AromaticContact CE1-CG 3.61Å; F161-Y204 HydrophobicContact CE1-CG 3.61Å; F161-Y204 AromaticContact CZ-CD1 3.92Å; F161-Y204 HydrophobicContact CZ-CD1 3.92Å; F161-Y204 AromaticContact CZ-CD2 3.66Å; F161-Y204 HydrophobicContact CZ-CD2 3.66Å; F161-Y204 HydrophobicContact CZ-CE1 4.46Å; F161-Y204 HydrophobicContact CZ-CE2 4.19Å; F161-Y204 AromaticContact CZ-CG 3.48Å; F161-Y204 HydrophobicContact CZ-CG 3.48Å; F161-Y204 VanDerWaalsContact CZ-CG 3.48Å; Q198-Y204 WeakPolarHBondContact O-CA 3.38Å; Q198-Y204 PolarHBondContact O-N 3.34Å; L199-Y204 HydrophobicContact CD2-CD2 4.01Å; L199-Y204 HydrophobicContact CD2-CE2 4.02Å; S200-Y204 WeakPolarHBondContact O-CB 3.45Å; S200-Y204 PolarHBondContact O-N 3.02Å
205	W	86.8	Confident	77.3	Confident	48 Å²	48	72 Å²	72	18%	0.182	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-3.9	-178.3	-46	94.5	0	0	0	114.1	V138 V149 D152 E153 R203 L207	V138-W205 HydrophobicContact CG2-CE3 3.67Å; V138-W205 HydrophobicContact CG2-CZ3 4.04Å; V149-W205 HydrophobicContact CB-CE3 4.45Å; V149-W205 HydrophobicContact CG1-CB 3.88Å; V149-W205 HydrophobicContact CG1-CD2 4.17Å; V149-W205 HydrophobicContact CG1-CE3 3.87Å; V149-W205 HydrophobicContact CG1-CG 4.19Å; V149-W205 HydrophobicContact CG2-CE3 4.37Å; D152-W205 HydrophobicContact CB-CH2 3.27Å; D152-W205 HydrophobicContact CB-CZ2 3.34Å; D152-W205 HydrophobicContact CB-CZ3 3.95Å; E153-W205 HydrophobicContact CB-CG 4.27Å; E153-W205 PolarHBondContact OE2-NE1 2.92Å; R203-W205 PolarHBondContact O-N 3.15Å; R203-W205 VanDerWaalsContact O-N 3.14Å; W205-L207 PolarHBondContact O-N 3.14Å; W205-L207 VanDerWaalsContact O-N 3.16Å
206	I	84.3	Confident	76.2	Confident	92 Å²	92	76.8 Å²	76.8	47%	0.472	40%	0.402	S	S	.	.			trans	-76.1	106	-179.7	-60.4	179.6	0	0	0	108.7	R135 D202 R203	R135-I206 PolarHBondContact NH2-O 3.39Å; D202-I206 VanDerWaalsContact O-CD1 3.24Å; D202-I206 WeakPolarHBondContact O-CD1 3.45Å; R203-I206 HydrophobicContact CB-CD1 4.49Å; R203-I206 HydrophobicContact CG-CD1 4.27Å; R203-I206 PolarHBondContact O-N 3.15Å
207	L	78.8	Confident	75.5	Confident	91 Å²	91	82.9 Å²	82.9	48%	0.476	43%	0.434	S	S	.	.			trans	-57.9	131.2	170.1	-84.7	69	0	0	0	107.9	V138 W205	V138-L207 HydrophobicContact CG1-CD1 3.64Å; V138-L207 HydrophobicContact CG1-CG 4.43Å; W205-L207 PolarHBondContact O-N 3.14Å; W205-L207 VanDerWaalsContact O-N 3.16Å
208	P	71.7	Confident	75	Confident	62 Å²	62	84.9 Å²	84.9	40%	0.403	44%	0.441	S	S	.	.			trans	-53.9	149.9	167.6	25	-31.4	0	0	0	107.4	L139 S210	L139-P208 HydrophobicContact CD2-CG 3.68Å; P208-S210 PolarHBondContact O-N 2.77Å
209	D	65.2	Low	74.6	Confident	164 Å²	164	89.7 Å²	89.7	88%	0.877	46%	0.461	S	S	*	.			trans	-63.7	75	165.8	-72.2	-34.8	0	0	0	107.3	H211	D209-H211 PolarHBondContact O-N 3.31Å
210	S	55.9	Low	74.5	Confident	55 Å²	55	93.1 Å²	93.1	39%	0.385	48%	0.483	S	S	.	.			trans	-56.6	118.7	166.3	43.3	0	0	0	0	103.2	P208 I212	P208-S210 PolarHBondContact O-N 2.77Å; S210-I212 PolarHBondContact O-N 2.99Å; S210-I212 VanDerWaalsContact OG-CD1 3.28Å; S210-I212 WeakPolarHBondContact OG-CD1 3.34Å; S210-I212 WeakPolarHBondContact OG-CG1 3.38Å
211	H	42.7	Very low	74.4	Confident	194 Å²	194	96.4 Å²	96.4	90%	0.898	50%	0.497	S	S	*	.			trans	-57.4	75.7	155.6	-76.1	-78.3	0	0	0	106.2	D209 Q213	D209-H211 PolarHBondContact O-N 3.31Å; H211-Q213 PolarHBondContact O-N 2.84Å
212	I	46.5	Very low	74.5	Confident	99 Å²	99	98.8 Å²	98.8	51%	0.508	51%	0.511	S	S	.	.			trans	-65.7	94.8	171.2	-72.1	160.4	0	0	0	102.4	S210 T214	S210-I212 PolarHBondContact O-N 2.99Å; S210-I212 VanDerWaalsContact OG-CD1 3.28Å; S210-I212 WeakPolarHBondContact OG-CD1 3.34Å; S210-I212 WeakPolarHBondContact OG-CG1 3.38Å; I212-T214 HydrophobicContact CG2-CG2 3.79Å; I212-T214 WeakPolarHBondContact CG2-OG1 3.28Å; I212-T214 PolarHBondContact O-N 3.36Å
213	Q	49	Very low	74.8	Confident	190 Å²	190	97 Å²	97	89%	0.888	51%	0.509	S	S	*	.			trans	-70.3	19.6	169.7	-130.7	177.3	22.9	0	0	110.5	H211 S215	H211-Q213 PolarHBondContact O-N 2.84Å; Q213-S215 PolarHBondContact O-N 2Å
214	T	50.8	Low	75.1	Confident	68 Å²	68	95.2 Å²	95.2	42%	0.417	51%	0.511	S	S	.	.	S	Bend	trans	-70	92.2	150.1	70.1	0	0	0	0	104.3	I212 V216	I212-T214 HydrophobicContact CG2-CG2 3.79Å; I212-T214 WeakPolarHBondContact CG2-OG1 3.28Å; I212-T214 PolarHBondContact O-N 3.36Å; T214-V216 PolarHBondContact O-N 2.78Å; T214-V216 VanDerWaalsContact O-N 3.12Å
215	S	61.5	Low	75.3	Confident	47 Å²	47	99.2 Å²	99.2	33%	0.329	53%	0.532	S	S	.	.			trans	-45.7	126.7	-165.3	64.7	0	0	0	0	108.6	Q213 L217 E218 K219	Q213-S215 PolarHBondContact O-N 2Å; S215-L217 CarbonylContact O-C 3.52Å; S215-L217 PolarHBondContact O-N 2.86Å; S215-E218 WeakPolarHBondContact O-CB 3.34Å; S215-E218 PolarHBondContact O-N 2.91Å; S215-E218 WeakPolarHBondContact OG-CB 3.44Å; S215-E218 PolarHBondContact OG-N 3.11Å; S215-K219 PolarHBondContact O-N 3.31Å
216	V	72.5	Confident	75.8	Confident	112 Å²	112	102.8 Å²	102.8	68%	0.679	55%	0.554	S	S	*	*	H	α-helix	trans	-45.8	-32.9	169.2	176.1	0	0	0	0	109.3	T214 E218 K219 V220	T214-V216 PolarHBondContact O-N 2.78Å; T214-V216 VanDerWaalsContact O-N 3.12Å; V216-E218 PolarHBondContact O-N 2.78Å; V216-K219 PolarHBondContact O-N 3Å; V216-V220 HydrophobicContact CG1-CG2 4.02Å; V216-V220 WeakPolarHBondContact O-CB 3.08Å; V216-V220 WeakPolarHBondContact O-CG2 3.34Å; V216-V220 PolarHBondContact O-N 3.17Å
217	L	81	Confident	76.3	Confident	129 Å²	129	102 Å²	102	68%	0.675	55%	0.554	S	S	*	*	H	α-helix	trans	-50.1	-48.9	168.4	-172.5	70.7	0	0	0	114.7	S215 V220 L221	S215-L217 CarbonylContact O-C 3.52Å; S215-L217 PolarHBondContact O-N 2.86Å; L217-V220 PolarHBondContact O-N 3.13Å; L217-L221 WeakPolarHBondContact O-CB 3.24Å; L217-L221 PolarHBondContact O-N 3.37Å
218	E	84	Confident	77.2	Confident	114 Å²	114	99.7 Å²	99.7	53%	0.533	55%	0.548	S	S	.	.	H	α-helix	trans	-64.7	-42	179.5	-173.7	178.2	-178.6	0	0	111.9	S215 V216 L221 T222	S215-E218 WeakPolarHBondContact O-CB 3.34Å; S215-E218 PolarHBondContact O-N 2.91Å; S215-E218 WeakPolarHBondContact OG-CB 3.44Å; S215-E218 PolarHBondContact OG-N 3.11Å; V216-E218 PolarHBondContact O-N 2.78Å; E218-L221 PolarHBondContact O-N 2.63Å; E218-T222 WeakPolarHBondContact O-CB 3.47Å; E218-T222 WeakPolarHBondContact O-CG2 3.27Å; E218-T222 PolarHBondContact O-N 3.28Å; E218-T222 PolarHBondContact O-OG1 3.35Å
219	K	85.1	Confident	78.3	Confident	134 Å²	134	98.6 Å²	98.6	58%	0.583	55%	0.548	S	S	*	.	H	α-helix	trans	-67.5	-40.6	175.8	-66.8	-173.3	-178.4	-179.4	0	112	S215 V216 T222 A223	S215-K219 PolarHBondContact O-N 3.31Å; V216-K219 PolarHBondContact O-N 3Å; K219-T222 WeakPolarHBondContact CA-OG1 3.36Å; K219-T222 PolarHBondContact O-OG1 3.05Å; K219-A223 WeakPolarHBondContact O-CB 3.4Å; K219-A223 PolarHBondContact O-N 3.31Å
220	V	91.9	Very high	79.8	Confident	79 Å²	79	95.3 Å²	95.3	48%	0.479	53%	0.53	S	S	.	.	H	α-helix	trans	-66.6	-43.3	175.8	170	0	0	0	0	110.4	V216 L217 A223 V224	V216-V220 HydrophobicContact CG1-CG2 4.02Å; V216-V220 WeakPolarHBondContact O-CB 3.08Å; V216-V220 WeakPolarHBondContact O-CG2 3.34Å; V216-V220 PolarHBondContact O-N 3.17Å; L217-V220 PolarHBondContact O-N 3.13Å; V220-A223 PolarHBondContact O-N 3.09Å; V220-V224 HydrophobicContact CG1-CG2 4.28Å; V220-V224 WeakPolarHBondContact O-CB 3.42Å; V220-V224 VanDerWaalsContact O-CG2 3.25Å; V220-V224 WeakPolarHBondContact O-CG2 3.16Å; V220-V224 PolarHBondContact O-N 3.22Å
221	L	93.8	Very high	81.7	Confident	99 Å²	99	98.6 Å²	98.6	52%	0.518	54%	0.542	S	S	.	.	H	α-helix	trans	-64	-45.2	179.8	-176.6	66.8	0	0	0	111.3	L217 E218 A223 V224 I225	L217-L221 WeakPolarHBondContact O-CB 3.24Å; L217-L221 PolarHBondContact O-N 3.37Å; E218-L221 PolarHBondContact O-N 2.63Å; L221-A223 PolarHBondContact O-N 2.98Å; L221-V224 PolarHBondContact O-N 2.82Å; L221-I225 HydrophobicContact CD1-CD1 4.24Å; L221-I225 HydrophobicContact CG-CD1 3.93Å; L221-I225 WeakPolarHBondContact O-CB 3.48Å; L221-I225 VanDerWaalsContact O-CG1 3.24Å; L221-I225 WeakPolarHBondContact O-CG1 3.5Å; L221-I225 PolarHBondContact O-N 2.03Å
222	T	93.5	Very high	84.2	Confident	72 Å²	72	94.6 Å²	94.6	44%	0.442	53%	0.526	S	S	.	.	H	α-helix	trans	-61.7	-42.8	175.2	47.3	0	0	0	0	111.5	E218 K219 I225 L226	E218-T222 WeakPolarHBondContact O-CB 3.47Å; E218-T222 WeakPolarHBondContact O-CG2 3.27Å; E218-T222 PolarHBondContact O-N 3.28Å; E218-T222 PolarHBondContact O-OG1 3.35Å; K219-T222 WeakPolarHBondContact CA-OG1 3.36Å; K219-T222 PolarHBondContact O-OG1 3.05Å; T222-I225 PolarHBondContact O-N 3.19Å; T222-L226 VanDerWaalsContact O-CG 3.28Å; T222-L226 WeakPolarHBondContact O-CG 3.3Å; T222-L226 PolarHBondContact O-N 3.27Å
223	A	95	Very high	86.5	Confident	51 Å²	51	96.5 Å²	96.5	42%	0.421	53%	0.528	S	S	.	.	H	α-helix	trans	-63.3	-41.6	174.9	0	0	0	0	0	113.1	K219 V220 L221 L226 T227	K219-A223 WeakPolarHBondContact O-CB 3.4Å; K219-A223 PolarHBondContact O-N 3.31Å; V220-A223 PolarHBondContact O-N 3.09Å; L221-A223 PolarHBondContact O-N 2.98Å; A223-L226 PolarHBondContact O-N 3.41Å; A223-T227 WeakPolarHBondContact O-CB 3.26Å; A223-T227 WeakPolarHBondContact O-CG2 3.07Å; A223-T227 PolarHBondContact O-N 3.19Å; A223-T227 PolarHBondContact O-OG1 2.93Å
224	V	95.7	Very high	88.7	Confident	80 Å²	80	94.2 Å²	94.2	49%	0.485	51%	0.513	S	S	.	.	H	α-helix	trans	-64.9	-42.7	177	170.4	0	0	0	0	111.3	V220 L221 L226 T227 A228	V220-V224 HydrophobicContact CG1-CG2 4.28Å; V220-V224 WeakPolarHBondContact O-CB 3.42Å; V220-V224 VanDerWaalsContact O-CG2 3.25Å; V220-V224 WeakPolarHBondContact O-CG2 3.16Å; V220-V224 PolarHBondContact O-N 3.22Å; L221-V224 PolarHBondContact O-N 2.82Å; V224-L226 PolarHBondContact O-N 2.83Å; V224-T227 WeakPolarHBondContact CA-OG1 3.31Å; V224-T227 PolarHBondContact O-N 2.97Å; V224-T227 PolarHBondContact O-OG1 3.03Å; V224-A228 VanDerWaalsContact O-CB 3.24Å; V224-A228 WeakPolarHBondContact O-CB 3.36Å; V224-A228 PolarHBondContact O-N 3.05Å
225	I	95.8	Very high	90.8	Very high	104 Å²	104	93.9 Å²	93.9	53%	0.533	51%	0.513	S	S	.	.	H	α-helix	trans	-62.8	-44.2	177.2	-69.1	166.2	0	0	0	110.8	L221 T222 G229	L221-I225 HydrophobicContact CD1-CD1 4.24Å; L221-I225 HydrophobicContact CG-CD1 3.93Å; L221-I225 WeakPolarHBondContact O-CB 3.48Å; L221-I225 VanDerWaalsContact O-CG1 3.24Å; L221-I225 WeakPolarHBondContact O-CG1 3.5Å; L221-I225 PolarHBondContact O-N 2.03Å; T222-I225 PolarHBondContact O-N 3.19Å; I225-G229 PolarHBondContact O-N 3.07Å
226	L	96.4	Very high	92.3	Very high	122 Å²	122	95 Å²	95	64%	0.639	52%	0.517	S	S	*	.	H	α-helix	trans	-64.9	-45.7	179	-71.3	173.7	0	0	0	112.1	T222 A223 V224 G229 L230	T222-L226 VanDerWaalsContact O-CG 3.28Å; T222-L226 WeakPolarHBondContact O-CG 3.3Å; T222-L226 PolarHBondContact O-N 3.27Å; A223-L226 PolarHBondContact O-N 3.41Å; V224-L226 PolarHBondContact O-N 2.83Å; L226-G229 PolarHBondContact O-N 2.96Å; L226-L230 WeakPolarHBondContact O-CG 3.37Å; L226-L230 PolarHBondContact O-N 2.9Å
227	T	96.1	Very high	93.2	Very high	77 Å²	77	93 Å²	93	47%	0.472	50%	0.502	S	S	.	.	H	α-helix	trans	-65	-43.4	177.9	49.9	0	0	0	0	112.3	A223 V224 G229 L230 L231	A223-T227 WeakPolarHBondContact O-CB 3.26Å; A223-T227 WeakPolarHBondContact O-CG2 3.07Å; A223-T227 PolarHBondContact O-N 3.19Å; A223-T227 PolarHBondContact O-OG1 2.93Å; V224-T227 WeakPolarHBondContact CA-OG1 3.31Å; V224-T227 PolarHBondContact O-N 2.97Å; V224-T227 PolarHBondContact O-OG1 3.03Å; T227-G229 PolarHBondContact O-N 3.42Å; T227-L230 PolarHBondContact O-N 3.49Å; T227-L231 WeakPolarHBondContact O-CG 3.24Å; T227-L231 PolarHBondContact O-N 3.14Å
228	A	96.1	Very high	93.8	Very high	41 Å²	41	93.6 Å²	93.6	34%	0.339	50%	0.5	S	S	.	.	H	α-helix	trans	-61.8	-43.1	174.2	0	0	0	0	0	111.8	V224 L230 L231 I232	V224-A228 VanDerWaalsContact O-CB 3.24Å; V224-A228 WeakPolarHBondContact O-CB 3.36Å; V224-A228 PolarHBondContact O-N 3.05Å; A228-L230 VanDerWaalsContact C-N 3.34Å; A228-L230 PolarHBondContact O-N 3.37Å; A228-L231 PolarHBondContact O-N 3.27Å; A228-I232 VanDerWaalsContact O-CG1 3.28Å; A228-I232 WeakPolarHBondContact O-CG1 3.34Å; A228-I232 PolarHBondContact O-N 2.86Å
229	G	96.1	Very high	94.1	Very high	39 Å²	39	94.1 Å²	94.1	40%	0.402	50%	0.503	S	S	.	.	H	α-helix	trans	-58.5	-43	175.1	0	0	0	0	0	112.8	I225 L226 T227 I232 Y233	I225-G229 PolarHBondContact O-N 3.07Å; L226-G229 PolarHBondContact O-N 2.96Å; T227-G229 PolarHBondContact O-N 3.42Å; G229-I232 PolarHBondContact O-N 3.47Å; G229-Y233 WeakPolarHBondContact O-CB 3.47Å; G229-Y233 PolarHBondContact O-N 3.14Å
230	L	96.6	Very high	94.2	Very high	95 Å²	95	96.4 Å²	96.4	50%	0.497	51%	0.508	S	S	.	.	H	α-helix	trans	-64.9	-44.2	175	-72	172.6	0	0	0	112.1	L226 T227 A228 I232 Y233 Y234	L226-L230 WeakPolarHBondContact O-CG 3.37Å; L226-L230 PolarHBondContact O-N 2.9Å; T227-L230 PolarHBondContact O-N 3.49Å; A228-L230 VanDerWaalsContact C-N 3.34Å; A228-L230 PolarHBondContact O-N 3.37Å; L230-I232 VanDerWaalsContact C-N 3.35Å; L230-I232 PolarHBondContact O-N 3.14Å; L230-Y233 WeakPolarHBondContact O-CB 3.41Å; L230-Y233 PolarHBondContact O-N 2.93Å; L230-Y234 HydrophobicContact CB-CD2 4.47Å; L230-Y234 HydrophobicContact CB-CE2 4.4Å; L230-Y234 HydrophobicContact CD2-CE2 4.4Å; L230-Y234 WeakPolarHBondContact O-CD2 3.13Å; L230-Y234 PolarHBondContact O-N 2.95Å
231	L	95.8	Very high	93.9	Very high	125 Å²	125	97 Å²	97	65%	0.654	51%	0.509	S	S	*	.	H	α-helix	trans	-61.5	-43.2	177.4	-71	174.6	0	0	0	112	T227 A228 Y234 S235	T227-L231 WeakPolarHBondContact O-CG 3.24Å; T227-L231 PolarHBondContact O-N 3.14Å; A228-L231 PolarHBondContact O-N 3.27Å; L231-Y234 PolarHBondContact O-N 2.72Å; L231-S235 WeakPolarHBondContact O-CB 3.33Å; L231-S235 PolarHBondContact O-N 2.83Å; L231-S235 PolarHBondContact O-OG 3.4Å
232	I	95.2	Very high	93.4	Very high	109 Å²	109	94.2 Å²	94.2	56%	0.559	50%	0.498	S	S	*	.	H	α-helix	trans	-60.5	-48.2	174.6	-67.7	166.1	0	0	0	109.7	A228 G229 L230 Y234 S235 V236	A228-I232 VanDerWaalsContact O-CG1 3.28Å; A228-I232 WeakPolarHBondContact O-CG1 3.34Å; A228-I232 PolarHBondContact O-N 2.86Å; G229-I232 PolarHBondContact O-N 3.47Å; L230-I232 VanDerWaalsContact C-N 3.35Å; L230-I232 PolarHBondContact O-N 3.14Å; I232-Y234 PolarHBondContact O-N 2.82Å; I232-S235 PolarHBondContact O-N 2.95Å; I232-S235 PolarHBondContact O-OG 3.34Å; I232-V236 WeakPolarHBondContact O-CG2 3.31Å; I232-V236 PolarHBondContact O-N 2.86Å
233	Y	95.2	Very high	92.5	Very high	139 Å²	139	93 Å²	93	55%	0.545	49%	0.492	S	S	.	.	H	α-helix	trans	-56.3	-49	177.8	175.7	-103.4	0	0	0	112.8	G229 L230 V236 I237	G229-Y233 WeakPolarHBondContact O-CB 3.47Å; G229-Y233 PolarHBondContact O-N 3.14Å; L230-Y233 WeakPolarHBondContact O-CB 3.41Å; L230-Y233 PolarHBondContact O-N 2.93Å; Y233-V236 PolarHBondContact O-N 2.84Å; Y233-I237 HydrophobicContact CD1-CD1 3.9Å; Y233-I237 HydrophobicContact CD2-CD1 4.45Å; Y233-I237 HydrophobicContact CE1-CD1 3.34Å; Y233-I237 HydrophobicContact CE2-CD1 3.96Å; Y233-I237 HydrophobicContact CG-CD1 4.43Å; Y233-I237 WeakPolarHBondContact O-CG1 3.44Å; Y233-I237 PolarHBondContact O-N 3.43Å; Y233-I237 VanDerWaalsContact O-N 3.12Å
234	Y	95.5	Very high	91.1	Very high	143 Å²	143	93.5 Å²	93.5	56%	0.561	49%	0.492	S	S	*	.	H	α-helix	trans	-68.7	-35.6	179.3	-74.6	-66.5	0	0	0	113.1	L230 L231 I232 V236 I237 F238	L230-Y234 HydrophobicContact CB-CD2 4.47Å; L230-Y234 HydrophobicContact CB-CE2 4.4Å; L230-Y234 HydrophobicContact CD2-CE2 4.4Å; L230-Y234 WeakPolarHBondContact O-CD2 3.13Å; L230-Y234 PolarHBondContact O-N 2.95Å; L231-Y234 PolarHBondContact O-N 2.72Å; I232-Y234 PolarHBondContact O-N 2.82Å; Y234-V236 VanDerWaalsContact C-N 3.35Å; Y234-V236 PolarHBondContact O-N 3.26Å; Y234-I237 PolarHBondContact O-N 3.46Å; Y234-F238 WeakPolarHBondContact O-CB 3.28Å; Y234-F238 PolarHBondContact O-N 2.85Å
235	S	93.1	Very high	89.6	Confident	61 Å²	61	96 Å²	96	43%	0.427	50%	0.497	S	S	.	.	H	α-helix	trans	-63.9	-39.7	175.1	71.8	0	0	0	0	112.1	L231 I232 F238 M239	L231-S235 WeakPolarHBondContact O-CB 3.33Å; L231-S235 PolarHBondContact O-N 2.83Å; L231-S235 PolarHBondContact O-OG 3.4Å; I232-S235 PolarHBondContact O-N 2.95Å; I232-S235 PolarHBondContact O-OG 3.34Å; S235-F238 PolarHBondContact O-N 3.22Å; S235-M239 WeakPolarHBondContact O-CB 3.45Å; S235-M239 VanDerWaalsContact O-CG 3.25Å; S235-M239 WeakPolarHBondContact O-CG 3.44Å; S235-M239 PolarHBondContact O-N 3.02Å
236	V	93.1	Very high	87.8	Confident	69 Å²	69	94.4 Å²	94.4	42%	0.418	49%	0.494	S	S	.	.	H	α-helix	trans	-65.1	-42.6	175.7	172.5	0	0	0	0	111	I232 Y233 Y234 M239 R240	I232-V236 WeakPolarHBondContact O-CG2 3.31Å; I232-V236 PolarHBondContact O-N 2.86Å; Y233-V236 PolarHBondContact O-N 2.84Å; Y234-V236 VanDerWaalsContact C-N 3.35Å; Y234-V236 PolarHBondContact O-N 3.26Å; V236-M239 PolarHBondContact O-N 3.31Å; V236-R240 WeakPolarHBondContact O-CG 3.49Å; V236-R240 PolarHBondContact O-N 3.29Å
237	I	92.8	Very high	85.9	Confident	72 Å²	72	97 Å²	97	37%	0.369	50%	0.495	S	S	.	.	H	α-helix	trans	-61.3	-47	174.6	-70.7	173.3	0	0	0	110.6	Y233 Y234 M239 R240 L241	Y233-I237 HydrophobicContact CD1-CD1 3.9Å; Y233-I237 HydrophobicContact CD2-CD1 4.45Å; Y233-I237 HydrophobicContact CE1-CD1 3.34Å; Y233-I237 HydrophobicContact CE2-CD1 3.96Å; Y233-I237 HydrophobicContact CG-CD1 4.43Å; Y233-I237 WeakPolarHBondContact O-CG1 3.44Å; Y233-I237 PolarHBondContact O-N 3.43Å; Y233-I237 VanDerWaalsContact O-N 3.12Å; Y234-I237 PolarHBondContact O-N 3.46Å; I237-M239 PolarHBondContact O-N 3.46Å; I237-R240 PolarHBondContact O-N 2.86Å; I237-L241 WeakPolarHBondContact O-CB 3.45Å; I237-L241 PolarHBondContact O-N 2.95Å
238	F	92.9	Very high	84	Confident	141 Å²	141	99.5 Å²	99.5	62%	0.618	51%	0.505	S	S	*	.	H	α-helix	trans	-60.7	-43.3	179.1	-178.4	-97.3	0	0	0	112	Y234 S235 L241 S242	Y234-F238 WeakPolarHBondContact O-CB 3.28Å; Y234-F238 PolarHBondContact O-N 2.85Å; S235-F238 PolarHBondContact O-N 3.22Å; F238-L241 PolarHBondContact O-N 2.92Å; F238-S242 VanDerWaalsContact O-CB 3.31Å; F238-S242 WeakPolarHBondContact O-CB 3.46Å; F238-S242 PolarHBondContact O-N 3.41Å; F238-S242 PolarHBondContact O-OG 3.45Å; F238-S242 VanDerWaalsContact O-OG 3.08Å
239	M	89.2	Confident	81.8	Confident	124 Å²	124	106.4 Å²	106.4	61%	0.611	52%	0.523	S	S	*	.	H	α-helix	trans	-64.8	-39.8	176.5	-71.5	-64	-74.5	0	0	112.5	S235 V236 I237 S242 S243	S235-M239 WeakPolarHBondContact O-CB 3.45Å; S235-M239 VanDerWaalsContact O-CG 3.25Å; S235-M239 WeakPolarHBondContact O-CG 3.44Å; S235-M239 PolarHBondContact O-N 3.02Å; V236-M239 PolarHBondContact O-N 3.31Å; I237-M239 PolarHBondContact O-N 3.46Å; M239-S242 WeakPolarHBondContact CA-OG 3.19Å; M239-S242 PolarHBondContact O-OG 3.5Å; M239-S242 VanDerWaalsContact O-OG 3.09Å; M239-S243 VanDerWaalsContact O-CB 3.28Å; M239-S243 WeakPolarHBondContact O-CB 3.49Å; M239-S243 PolarHBondContact O-N 2.93Å; M239-S243 PolarHBondContact O-OG 2.86Å
240	R	87.3	Confident	79.7	Confident	182 Å²	182	110 Å²	110	69%	0.687	53%	0.531	S	S	*	.	H	α-helix	trans	-64.2	-45.7	173.7	-75.4	-176.8	-178.4	-157.1	1.7	111	V236 I237 S243 S244	V236-R240 WeakPolarHBondContact O-CG 3.49Å; V236-R240 PolarHBondContact O-N 3.29Å; I237-R240 PolarHBondContact O-N 2.86Å; R240-S243 PolarHBondContact O-N 3.26Å; R240-S243 PolarHBondContact O-OG 3.27Å; R240-S244 PolarHBondContact O-N 2.89Å; R240-S244 VanDerWaalsContact O-N 3.09Å; R240-S244 PolarHBondContact O-OG 3.49Å; R240-S244 VanDerWaalsContact O-OG 3.1Å
241	L	86.3	Confident	77.6	Confident	92 Å²	92	110.4 Å²	110.4	48%	0.482	54%	0.542	S	S	.	.	H	α-helix	trans	-65.1	-45	-179.9	-173.3	62.8	0	0	0	111.8	I237 F238 S243 S244 F245	I237-L241 WeakPolarHBondContact O-CB 3.45Å; I237-L241 PolarHBondContact O-N 2.95Å; F238-L241 PolarHBondContact O-N 2.92Å; L241-S243 PolarHBondContact O-N 3.37Å; L241-S244 WeakPolarHBondContact O-CB 3.28Å; L241-S244 PolarHBondContact O-N 2.93Å; L241-F245 HydrophobicContact CD1-CD2 4.1Å; L241-F245 HydrophobicContact CD1-CE2 3.58Å; L241-F245 HydrophobicContact CD1-CZ 4.44Å; L241-F245 HydrophobicContact CD2-CE2 4.06Å; L241-F245 HydrophobicContact CG-CD2 3.84Å; L241-F245 HydrophobicContact CG-CE2 3.53Å; L241-F245 WeakPolarHBondContact O-CD2 3.42Å; L241-F245 PolarHBondContact O-N 3.3Å
242	S	82.8	Confident	75.5	Confident	41 Å²	41	108.5 Å²	108.5	29%	0.287	54%	0.539	S	S	.	.	H	α-helix	trans	-66.3	-36.3	177.5	67.6	0	0	0	0	112.4	F238 M239 S244 F245 C246	F238-S242 VanDerWaalsContact O-CB 3.31Å; F238-S242 WeakPolarHBondContact O-CB 3.46Å; F238-S242 PolarHBondContact O-N 3.41Å; F238-S242 PolarHBondContact O-OG 3.45Å; F238-S242 VanDerWaalsContact O-OG 3.08Å; M239-S242 WeakPolarHBondContact CA-OG 3.19Å; M239-S242 PolarHBondContact O-OG 3.5Å; M239-S242 VanDerWaalsContact O-OG 3.09Å; S242-S244 VanDerWaalsContact C-N 3.3Å; S242-S244 PolarHBondContact O-N 3.33Å; S242-F245 PolarHBondContact O-N 3.35Å; S242-C246 VanDerWaalsContact O-CB 3.32Å; S242-C246 WeakPolarHBondContact O-CB 3.4Å; S242-C246 PolarHBondContact O-N 2.95Å
243	S	74.5	Confident	73.4	Confident	46 Å²	46	109.9 Å²	109.9	32%	0.322	55%	0.547	S	S	.	.	H	α-helix	trans	-64.8	-34.6	172.8	78.1	0	0	0	0	112.5	M239 R240 L241 R247	M239-S243 VanDerWaalsContact O-CB 3.28Å; M239-S243 WeakPolarHBondContact O-CB 3.49Å; M239-S243 PolarHBondContact O-N 2.93Å; M239-S243 PolarHBondContact O-OG 2.86Å; R240-S243 PolarHBondContact O-N 3.26Å; R240-S243 PolarHBondContact O-OG 3.27Å; L241-S243 PolarHBondContact O-N 3.37Å; S243-R247 WeakPolarHBondContact O-CB 3.4Å; S243-R247 PolarHBondContact O-N 2.94Å
244	S	66.6	Low	70.9	Confident	61 Å²	61	108.1 Å²	108.1	43%	0.427	56%	0.555	S	S	.	*	H	α-helix	trans	-69.7	-41.1	173.7	-62	0	0	0	0	111.6	R240 L241 S242 R247 L248	R240-S244 PolarHBondContact O-N 2.89Å; R240-S244 VanDerWaalsContact O-N 3.09Å; R240-S244 PolarHBondContact O-OG 3.49Å; R240-S244 VanDerWaalsContact O-OG 3.1Å; L241-S244 WeakPolarHBondContact O-CB 3.28Å; L241-S244 PolarHBondContact O-N 2.93Å; S242-S244 VanDerWaalsContact C-N 3.3Å; S242-S244 PolarHBondContact O-N 3.33Å; S244-R247 PolarHBondContact O-N 3Å; S244-L248 PolarHBondContact O-N 3.26Å; S244-L248 VanDerWaalsContact O-N 3.15Å
245	F	63.9	Low	68.2	Low	133 Å²	133	107.7 Å²	107.7	58%	0.583	57%	0.567	S	S	*	*	H	α-helix	trans	-66.5	-36.7	172.9	-79.1	-67.9	0	0	0	113	L241 S242 L248 R249	L241-F245 HydrophobicContact CD1-CD2 4.1Å; L241-F245 HydrophobicContact CD1-CE2 3.58Å; L241-F245 HydrophobicContact CD1-CZ 4.44Å; L241-F245 HydrophobicContact CD2-CE2 4.06Å; L241-F245 HydrophobicContact CG-CD2 3.84Å; L241-F245 HydrophobicContact CG-CE2 3.53Å; L241-F245 WeakPolarHBondContact O-CD2 3.42Å; L241-F245 PolarHBondContact O-N 3.3Å; S242-F245 PolarHBondContact O-N 3.35Å; F245-L248 PolarHBondContact O-N 3.46Å; F245-R249 PolarHBondContact O-N 3.41Å; F245-R249 VanDerWaalsContact O-N 3.16Å
246	C	58.5	Low	65.7	Low	71 Å²	71	110.5 Å²	110.5	48%	0.48	58%	0.584	S	S	.	*	H	α-helix	trans	-70.9	-36.9	177.3	-152.2	0	0	0	0	111.4	S242 L248 R249 I250	S242-C246 VanDerWaalsContact O-CB 3.32Å; S242-C246 WeakPolarHBondContact O-CB 3.4Å; S242-C246 PolarHBondContact O-N 2.95Å; C246-L248 VanDerWaalsContact C-N 3.32Å; C246-L248 PolarHBondContact O-N 2.99Å; C246-R249 PolarHBondContact O-N 3.42Å; C246-R249 VanDerWaalsContact O-N 3.13Å; C246-I250 WeakPolarHBondContact O-CG1 3.36Å; C246-I250 PolarHBondContact O-N 2.95Å
247	R	56.2	Low	63.1	Low	176 Å²	176	119.1 Å²	119.1	66%	0.664	61%	0.609	S	S	*	*	H	α-helix	trans	-60.4	-39.5	170.7	-91.1	-169.4	-93.5	-121.6	-1.3	112.6	S243 S244 R249 S251	S243-R247 WeakPolarHBondContact O-CB 3.4Å; S243-R247 PolarHBondContact O-N 2.94Å; S244-R247 PolarHBondContact O-N 3Å; R247-R249 VanDerWaalsContact C-N 3.31Å; R247-R249 PolarHBondContact O-N 3.05Å; R247-S251 PolarHBondContact O-OG 3.24Å
248	L	56.3	Low	60.5	Low	129 Å²	129	119.9 Å²	119.9	68%	0.675	62%	0.62	S	S	*	*	H	α-helix	trans	-65.5	-31.6	174.6	-81.3	156.5	0	0	0	112.9	S244 F245 C246	S244-L248 PolarHBondContact O-N 3.26Å; S244-L248 VanDerWaalsContact O-N 3.15Å; F245-L248 PolarHBondContact O-N 3.46Å; C246-L248 VanDerWaalsContact C-N 3.32Å; C246-L248 PolarHBondContact O-N 2.99Å
249	R	49.4	Very low	58.2	Low	187 Å²	187	118.2 Å²	118.2	71%	0.706	63%	0.626	S	S	*	*	H	α-helix	trans	-82.2	-30.5	-179	-156.7	177.2	-165	172.2	4.8	113.9	F245 C246 R247 S251 S252	F245-R249 PolarHBondContact O-N 3.41Å; F245-R249 VanDerWaalsContact O-N 3.16Å; C246-R249 PolarHBondContact O-N 3.42Å; C246-R249 VanDerWaalsContact O-N 3.13Å; R247-R249 VanDerWaalsContact C-N 3.31Å; R247-R249 PolarHBondContact O-N 3.05Å; R249-S251 VanDerWaalsContact C-N 3.31Å; R249-S252 PolarHBondContact O-N 3.21Å; R249-S252 PolarHBondContact O-OG 3.43Å
250	I	51.8	Low	55.7	Low	114 Å²	114	121.9 Å²	121.9	59%	0.585	64%	0.639	S	S	*	*	H	α-helix	trans	-69.1	-33	177.7	-68.6	165.8	0	0	0	110.8	C246 S252 L253	C246-I250 WeakPolarHBondContact O-CG1 3.36Å; C246-I250 PolarHBondContact O-N 2.95Å; I250-S252 PolarHBondContact O-N 3.19Å; I250-S252 VanDerWaalsContact O-N 3.14Å; I250-L253 PolarHBondContact O-N 3.41Å
251	S	53	Low	53.3	Low	104 Å²	104	123.3 Å²	123.3	73%	0.727	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.2	-19.1	177.2	-52.7	0	0	0	0	114.1	R247 R249	R247-S251 PolarHBondContact O-OG 3.24Å; R249-S251 VanDerWaalsContact C-N 3.31Å
252	S	51.2	Low	51.1	Low	85 Å²	85	124.1 Å²	124.1	59%	0.594	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.9	-7.7	178.4	62.4	0	0	0	0	114.6	R249 I250	R249-S252 PolarHBondContact O-N 3.21Å; R249-S252 PolarHBondContact O-OG 3.43Å; I250-S252 PolarHBondContact O-N 3.19Å; I250-S252 VanDerWaalsContact O-N 3.14Å
253	L	50.9	Low	49.4	Very low	138 Å²	138	131.5 Å²	131.5	72%	0.723	70%	0.697	S	S	*	*	S	Bend	trans	-123.5	54.4	-176.7	-82.8	132	0	0	0	112.4	I250	I250-L253 PolarHBondContact O-N 3.41Å
254	S	42.6	Very low	47.9	Very low	101 Å²	101	141 Å²	141	71%	0.706	73%	0.726	S	S	*	*			trans	-147.5	76.4	152.7	64.9	0	0	0	0	110.6
255	V	39.7	Very low	46.7	Very low	134 Å²	134	143.5 Å²	143.5	81%	0.812	74%	0.743	S	S	*	*			trans	-71.7	140.7	156.6	170.3	0	0	0	0	107.9
256	P	40.8	Very low	46	Very low	120 Å²	120	147.2 Å²	147.2	78%	0.779	76%	0.755	S	S	*	*			trans	-84.1	130.8	-156.5	1.3	16.3	0	0	0	112
257	R	37.3	Very low	45.5	Very low	251 Å²	251	154 Å²	154	95%	0.947	77%	0.772	S	S	*	*			trans	-93.6	109.2	167	-158.8	173.3	-169.3	166.6	3.6	109.8
258	S	39.9	Very low	44.8	Very low	88 Å²	88	152.1 Å²	152.1	62%	0.615	78%	0.78	S	S	*	*			trans	-59.5	146.3	178	73.3	0	0	0	0	113.9	K260	S258-K260 PolarHBondContact O-N 3.38Å
259	S	43.6	Very low	44.2	Very low	106 Å²	106	153 Å²	153	74%	0.741	79%	0.786	S	S	*	*				42.8	76.5	128.9	73.1	0	0	0	0	117.9
260	K	37.1	Very low	44.1	Very low	200 Å²	200	157.1 Å²	157.1	87%	0.87	81%	0.809	S	S	*	*			trans	-144.8	85.6	154.2	-76.4	-165	-179.5	-178.8	0	111.2	S258	S258-K260 PolarHBondContact O-N 3.38Å
261	K	36.3	Very low	43.7	Very low	212 Å²	212	159.3 Å²	159.3	92%	0.922	82%	0.82	S	S	*	*			trans	171.3	61.9	144.3	-94	167.2	-175.2	-176.1	0	110
262	A	40.6	Very low	43.2	Very low	109 Å²	109	162.2 Å²	162.2	90%	0.901	83%	0.825	S	S	*	*	S	Bend	trans	-101.4	17.4	156.5	0	0	0	0	0	111
263	F	46.5	Very low	42.8	Very low	196 Å²	196	166.4 Å²	166.4	86%	0.86	84%	0.838	S	S	*	*	S	Bend	trans	-136.8	64.1	-174.3	-154.8	-94.2	0	0	0	111.9
264	R	43.7	Very low	42.3	Very low	247 Å²	247	168.1 Å²	168.1	93%	0.932	84%	0.844	S	S	*	*	S	Bend	trans	-179.5	97.2	151	-120.8	175.3	168.4	165.7	-3.8	108
265	S	42	Very low	42.2	Very low	113 Å²	113	172.3 Å²	172.3	79%	0.79	85%	0.853	S	S	*	*	S	Bend	trans	170.7	3	140.8	-160	0	0	0	0	114.5
266	Y	48	Very low	42.4	Very low	211 Å²	211	174.9 Å²	174.9	83%	0.827	86%	0.856	S	S	*	*	S	Bend	trans	-87.5	4.6	-178.8	-159.1	-100.7	0	0	0	115.9
267	Y	48.2	Very low	42.5	Very low	212 Å²	212	178.8 Å²	178.8	83%	0.831	86%	0.861	S	S	*	*	S	Bend	trans	-136.2	85.8	173.2	-90.3	-88.1	0	0	0	110
268	T	42.8	Very low	42.9	Very low	137 Å²	137	173.2 Å²	173.2	84%	0.84	86%	0.855	S	S	*	*			trans	179.7	71.9	147.8	30	0	0	0	0	107.5
269	D	43.4	Very low	43.2	Very low	149 Å²	149	180.3 Å²	180.3	80%	0.797	88%	0.875	S	S	*	*			trans	-147.7	119.5	155.2	-143.8	-10	0	0	0	108.9
270	K	46.2	Very low	43.2	Very low	272 Å²	272	187.1 Å²	187.1	100%	1.183	89%	0.887	S	S	*	*			trans	57.2	0	169.2	-71.4	174.8	-176.1	176.4	0	120.3

Retrieved 270 of 270 residues in 112.7 ms (Link to these results)

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