G4VFV5_SCHMA Loading...

Phospholipase d-related

AlphaFold DB , UniProt , Accession G4VFV5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 465 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	44.6	Very low	57.5	Low	231 Å²	231	131 Å²	131	100%	1.138	67%	0.669	S	S	*	*				0	108.4	0	-78.5	175.1	171.4	0	0	108	F3	M1-F3 PolarHBondContact O-N 3.37Å
2	T	43.2	Very low	57.7	Low	144 Å²	144	128.8 Å²	128.8	88%	0.883	66%	0.658	S	S	*	*			trans	-75.5	110.6	175.7	41.2	0	0	0	0	109	N4	T2-N4 PolarHBondContact O-N 3.3Å
3	F	48.2	Very low	57.9	Low	173 Å²	173	125.8 Å²	125.8	76%	0.759	64%	0.643	S	S	*	*			trans	-67.4	115.8	178.5	-96.3	-99.3	0	0	0	110.1	M1 W5	M1-F3 PolarHBondContact O-N 3.37Å; F3-W5 VanDerWaalsContact O-CD1 3.27Å; F3-W5 PolarHBondContact O-N 2.65Å
4	N	56	Low	57.5	Low	114 Å²	114	122.3 Å²	122.3	61%	0.61	63%	0.634	S	S	*	*			trans	-83	96.7	178.4	-170.4	-2.8	0	0	0	109.8	T2 T6	T2-N4 PolarHBondContact O-N 3.3Å; N4-T6 PolarHBondContact O-N 3.36Å; N4-T6 PolarHBondContact OD1-N 3.25Å; N4-T6 PolarHBondContact OD1-OG1 3.37Å
5	W	60.1	Low	56.9	Low	179 Å²	179	121.3 Å²	121.3	68%	0.678	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.4	-13.9	-178.2	-76.2	85.4	0	0	0	114.5	F3 S7 I8 I9	F3-W5 VanDerWaalsContact O-CD1 3.27Å; F3-W5 PolarHBondContact O-N 2.65Å; W5-S7 PolarHBondContact O-N 3.4Å; W5-I8 PolarHBondContact O-N 3.24Å; W5-I9 PolarHBondContact O-N 3.42Å
6	T	63.9	Low	56.6	Low	84 Å²	84	119.4 Å²	119.4	52%	0.515	62%	0.62	S	S	.	*	H	α-helix	trans	-67.9	-35.1	-172	55.1	0	0	0	0	113.5	N4 F10	N4-T6 PolarHBondContact O-N 3.36Å; N4-T6 PolarHBondContact OD1-N 3.25Å; N4-T6 PolarHBondContact OD1-OG1 3.37Å; T6-F10 PolarHBondContact O-N 3.43Å
7	S	59.3	Low	55.9	Low	82 Å²	82	117 Å²	117	57%	0.573	61%	0.614	S	S	*	*	H	α-helix	trans	-69.7	-33.3	177.7	-77.8	0	0	0	0	113.3	W5 T11	W5-S7 PolarHBondContact O-N 3.4Å; S7-T11 PolarHBondContact O-N 3.28Å; S7-T11 PolarHBondContact O-OG1 3.48Å
8	I	66	Low	55	Low	98 Å²	98	120.1 Å²	120.1	50%	0.503	62%	0.622	S	S	.	*	H	α-helix	trans	-71.8	-40.6	-177.7	-62	175.3	0	0	0	110.4	W5 T11 L12	W5-I8 PolarHBondContact O-N 3.24Å; I8-T11 PolarHBondContact O-N 3.03Å; I8-L12 PolarHBondContact O-N 3.02Å
9	I	69.3	Low	54.3	Low	94 Å²	94	118.4 Å²	118.4	48%	0.482	62%	0.62	S	S	.	*	H	α-helix	trans	-65.8	-44	-179	-65	171.7	0	0	0	111.1	W5 T11 L12 I13	W5-I9 PolarHBondContact O-N 3.42Å; I9-T11 VanDerWaalsContact C-N 3.33Å; I9-T11 PolarHBondContact O-N 3.28Å; I9-L12 PolarHBondContact O-N 3.42Å; I9-I13 HydrophobicContact CG2-CD1 3.76Å; I9-I13 HydrophobicContact CG2-CG1 4.45Å; I9-I13 WeakPolarHBondContact O-CG1 3.35Å; I9-I13 PolarHBondContact O-N 2.68Å
10	F	59.3	Low	53.5	Low	155 Å²	155	119.5 Å²	119.5	68%	0.68	63%	0.626	S	S	*	*	H	α-helix	trans	-64.1	-38.2	178.2	-98.9	-81.3	0	0	0	112.7	T6 I13 C14	T6-F10 PolarHBondContact O-N 3.43Å; F10-I13 PolarHBondContact O-N 3.37Å; F10-C14 PolarHBondContact O-N 2.91Å; F10-C14 VanDerWaalsContact O-N 3.1Å
11	T	62.7	Low	52.9	Low	87 Å²	87	117.7 Å²	117.7	53%	0.534	62%	0.623	S	S	.	*	H	α-helix	trans	-67.6	-38.8	178.1	-40.8	0	0	0	0	111	S7 I8 I9 L15	S7-T11 PolarHBondContact O-N 3.28Å; S7-T11 PolarHBondContact O-OG1 3.48Å; I8-T11 PolarHBondContact O-N 3.03Å; I9-T11 VanDerWaalsContact C-N 3.33Å; I9-T11 PolarHBondContact O-N 3.28Å; T11-L15 HydrophobicContact CG2-CD1 4.35Å; T11-L15 PolarHBondContact O-N 3.1Å; T11-L15 VanDerWaalsContact O-N 3.1Å
12	L	59.8	Low	52.4	Low	104 Å²	104	113.9 Å²	113.9	55%	0.545	61%	0.608	S	S	.	*	H	α-helix	trans	-66.7	-41.9	177.8	-142.4	83.7	0	0	0	112	I8 I9 L15 I16	I8-L12 PolarHBondContact O-N 3.02Å; I9-L12 PolarHBondContact O-N 3.42Å; L12-L15 PolarHBondContact O-N 2.98Å; L12-I16 HydrophobicContact CD2-CD1 4.46Å; L12-I16 HydrophobicContact CG-CD1 4.45Å; L12-I16 WeakPolarHBondContact O-CD1 3.25Å; L12-I16 VanDerWaalsContact O-CG1 3.25Å; L12-I16 WeakPolarHBondContact O-CG1 3.48Å; L12-I16 PolarHBondContact O-N 3.31Å
13	I	60.7	Low	52.1	Low	90 Å²	90	111.4 Å²	111.4	46%	0.462	59%	0.592	S	S	.	*	H	α-helix	trans	-66.7	-40.3	178.8	-65.9	169.3	0	0	0	111	I9 F10 L15 I16 C17	I9-I13 HydrophobicContact CG2-CD1 3.76Å; I9-I13 HydrophobicContact CG2-CG1 4.45Å; I9-I13 WeakPolarHBondContact O-CG1 3.35Å; I9-I13 PolarHBondContact O-N 2.68Å; F10-I13 PolarHBondContact O-N 3.37Å; I13-L15 VanDerWaalsContact C-N 3.34Å; I13-L15 PolarHBondContact O-N 3.1Å; I13-I16 PolarHBondContact O-N 3.46Å; I13-C17 WeakPolarHBondContact O-CB 3.45Å; I13-C17 PolarHBondContact O-N 3.05Å
14	C	52.5	Low	51.4	Low	77 Å²	77	110.7 Å²	110.7	52%	0.52	60%	0.596	S	S	.	*	H	α-helix	trans	-66.3	-33.7	175.7	-78.3	0	0	0	0	113.2	F10 K18	F10-C14 PolarHBondContact O-N 2.91Å; F10-C14 VanDerWaalsContact O-N 3.1Å; C14-K18 WeakPolarHBondContact O-CB 3.48Å; C14-K18 PolarHBondContact O-N 3.38Å
15	L	48.9	Very low	50.3	Low	107 Å²	107	114.4 Å²	114.4	56%	0.56	60%	0.603	S	S	*	*	H	α-helix	trans	-68.7	-41.3	173.7	-88.9	153	0	0	0	111.7	T11 L12 I13 K18 C19	T11-L15 HydrophobicContact CG2-CD1 4.35Å; T11-L15 PolarHBondContact O-N 3.1Å; T11-L15 VanDerWaalsContact O-N 3.1Å; L12-L15 PolarHBondContact O-N 2.98Å; I13-L15 VanDerWaalsContact C-N 3.34Å; I13-L15 PolarHBondContact O-N 3.1Å; L15-K18 PolarHBondContact O-N 3.21Å; L15-C19 PolarHBondContact O-N 3.32Å; L15-C19 VanDerWaalsContact O-N 3.1Å
16	I	51.8	Low	49	Very low	92 Å²	92	110.8 Å²	110.8	47%	0.472	60%	0.603	S	S	.	*	H	α-helix	trans	-66.8	-42.1	177	-64.8	163.3	0	0	0	110.9	L12 I13 C19 L20	L12-I16 HydrophobicContact CD2-CD1 4.46Å; L12-I16 HydrophobicContact CG-CD1 4.45Å; L12-I16 WeakPolarHBondContact O-CD1 3.25Å; L12-I16 VanDerWaalsContact O-CG1 3.25Å; L12-I16 WeakPolarHBondContact O-CG1 3.48Å; L12-I16 PolarHBondContact O-N 3.31Å; I13-I16 PolarHBondContact O-N 3.46Å; I16-C19 PolarHBondContact O-N 3.1Å; I16-L20 HydrophobicContact CG2-CD1 3.99Å; I16-L20 WeakPolarHBondContact O-CG 3.43Å; I16-L20 PolarHBondContact O-N 3.33Å
17	C	44.5	Very low	47.6	Very low	78 Å²	78	109.3 Å²	109.3	53%	0.527	60%	0.596	S	S	.	*	H	α-helix	trans	-68.8	-35.1	177.7	-79.6	0	0	0	0	113.3	I13 C19 L20	I13-C17 WeakPolarHBondContact O-CB 3.45Å; I13-C17 PolarHBondContact O-N 3.05Å; C17-C19 VanDerWaalsContact C-N 3.34Å; C17-L20 PolarHBondContact O-N 3.47Å
18	K	40.3	Very low	46.4	Very low	172 Å²	172	109.2 Å²	109.2	75%	0.748	59%	0.594	S	S	*	*	H	α-helix	trans	-71.7	-26.9	174.5	-81.9	-175	175.9	-178.3	0	113.2	C14 L15	C14-K18 WeakPolarHBondContact O-CB 3.48Å; C14-K18 PolarHBondContact O-N 3.38Å; L15-K18 PolarHBondContact O-N 3.21Å
19	C	41	Very low	45.1	Very low	88 Å²	88	108.3 Å²	108.3	60%	0.595	60%	0.596	S	S	*	*	H	α-helix	trans	-77.1	-21.9	173.8	-77.5	0	0	0	0	113.4	L15 I16 C17	L15-C19 PolarHBondContact O-N 3.32Å; L15-C19 VanDerWaalsContact O-N 3.1Å; I16-C19 PolarHBondContact O-N 3.1Å; C17-C19 VanDerWaalsContact C-N 3.34Å
20	L	38.8	Very low	43.5	Very low	140 Å²	140	109.4 Å²	109.4	73%	0.733	60%	0.6	S	S	*	*	H	α-helix	trans	-89.4	-11.5	-177.7	-74.7	168.4	0	0	0	114.6	I16 C17	I16-L20 HydrophobicContact CG2-CD1 3.99Å; I16-L20 WeakPolarHBondContact O-CG 3.43Å; I16-L20 PolarHBondContact O-N 3.33Å; C17-L20 PolarHBondContact O-N 3.47Å
21	S	40.9	Very low	42.4	Very low	82 Å²	82	105 Å²	105	57%	0.573	59%	0.588	S	S	*	*	S	Bend	trans	-102.5	2.6	-170.8	75	0	0	0	0	116.5
22	N	34.3	Very low	41.5	Very low	152 Å²	152	106.3 Å²	106.3	81%	0.813	59%	0.588	S	S	*	*	S	Bend	trans	-156.6	34.1	-178	-93.3	-32.1	0	0	0	116
23	V	36.2	Very low	40.8	Very low	91 Å²	91	104.5 Å²	104.5	55%	0.552	57%	0.574	S	S	*	*			trans	-109.9	86.3	170.5	-170.5	0	0	0	0	108.7	Y25	V23-Y25 VanDerWaalsContact C-N 3.27Å; V23-Y25 PolarHBondContact O-N 3.16Å
24	N	33	Very low	40	Very low	159 Å²	159	105.2 Å²	105.2	85%	0.85	58%	0.579	S	S	*	*			trans	-54.3	103	149.1	-84.5	-25.4	0	0	0	105.5	P26	N24-P26 WeakPolarHBondContact O-CD 3.03Å; N24-P26 VanDerWaalsContact O-N 3.09Å
25	Y	32.3	Very low	39.4	Very low	192 Å²	192	107.7 Å²	107.7	75%	0.753	58%	0.584	S	S	*	*			trans	-60.6	109.7	168.2	-78.6	-90.9	0	0	0	106.7	V23 S27	V23-Y25 VanDerWaalsContact C-N 3.27Å; V23-Y25 PolarHBondContact O-N 3.16Å; Y25-S27 PolarHBondContact O-N 2.96Å; Y25-S27 VanDerWaalsContact O-N 3.15Å
26	P	33.6	Very low	39.8	Very low	103 Å²	103	105.6 Å²	105.6	67%	0.669	57%	0.571	S	S	*	*			trans	-63.2	121.6	154.6	-1.1	21	0	0	0	103.6	N24 C28	N24-P26 WeakPolarHBondContact O-CD 3.03Å; N24-P26 VanDerWaalsContact O-N 3.09Å; P26-C28 PolarHBondContact O-N 2.79Å
27	S	34.6	Very low	40	Very low	52 Å²	52	103 Å²	103	36%	0.364	56%	0.557	S	S	.	*			trans	-43.5	121.5	-175.7	71.7	0	0	0	0	109.8	Y25 S29 E30	Y25-S27 PolarHBondContact O-N 2.96Å; Y25-S27 VanDerWaalsContact O-N 3.15Å; S27-S29 VanDerWaalsContact CB-OG 3.22Å; S27-S29 WeakPolarHBondContact CB-OG 3.36Å; S27-S29 PolarHBondContact O-N 2.77Å; S27-S29 PolarHBondContact OG-OG 3.42Å; S27-E30 PolarHBondContact O-N 3.48Å; S27-E30 PolarHBondContact OG-N 3.4Å
28	C	33.2	Very low	40.6	Very low	81 Å²	81	105.8 Å²	105.8	55%	0.547	56%	0.56	S	S	.	*	H	α-helix	trans	-56.8	-15.3	177.9	-68.5	0	0	0	0	112.2	P26 S31 Q32	P26-C28 PolarHBondContact O-N 2.79Å; C28-S31 PolarHBondContact O-OG 2.79Å; C28-Q32 WeakPolarHBondContact O-CB 3.32Å; C28-Q32 VanDerWaalsContact O-CG 3.32Å; C28-Q32 WeakPolarHBondContact O-CG 3.31Å; C28-Q32 PolarHBondContact O-N 3.15Å
29	S	39.9	Very low	41.8	Very low	78 Å²	78	101.4 Å²	101.4	55%	0.545	55%	0.551	S	S	.	*	H	α-helix	trans	-63.7	-42.3	169.5	44.2	0	0	0	0	113.1	S27 Q32 Y33	S27-S29 VanDerWaalsContact CB-OG 3.22Å; S27-S29 WeakPolarHBondContact CB-OG 3.36Å; S27-S29 PolarHBondContact O-N 2.77Å; S27-S29 PolarHBondContact OG-OG 3.42Å; S29-Q32 PolarHBondContact O-N 2.91Å; S29-Y33 WeakPolarHBondContact O-CB 3.42Å; S29-Y33 PolarHBondContact O-N 3.07Å
30	E	36.3	Very low	43	Very low	118 Å²	118	99.3 Å²	99.3	55%	0.551	53%	0.531	S	S	*	.	H	α-helix	trans	-71.8	-37.5	-174.6	-158.2	171.6	-160.7	0	0	111.6	S27 Y33 L34	S27-E30 PolarHBondContact O-N 3.48Å; S27-E30 PolarHBondContact OG-N 3.4Å; E30-Y33 PolarHBondContact O-N 3.09Å; E30-L34 HydrophobicContact CG-CD1 4.45Å; E30-L34 WeakPolarHBondContact O-CB 3.22Å; E30-L34 VanDerWaalsContact O-CG 3.27Å; E30-L34 WeakPolarHBondContact O-CG 3.1Å; E30-L34 PolarHBondContact O-N 2.87Å
31	S	35.9	Very low	44.3	Very low	62 Å²	62	95.6 Å²	95.6	43%	0.434	51%	0.511	S	S	.	.	H	α-helix	trans	-68.6	-41	174.7	64.6	0	0	0	0	112.5	C28 M35	C28-S31 PolarHBondContact O-OG 2.79Å; S31-M35 WeakPolarHBondContact O-CB 3.14Å; S31-M35 VanDerWaalsContact O-CG 3.31Å; S31-M35 WeakPolarHBondContact O-CG 3.42Å; S31-M35 PolarHBondContact O-N 2.88Å
32	Q	42.9	Very low	45.5	Very low	114 Å²	114	96 Å²	96	53%	0.533	51%	0.507	S	S	.	.	H	α-helix	trans	-65.3	-41.1	172.5	-73.8	-178.6	2.2	0	0	111.8	C28 S29 M35 Q36	C28-Q32 WeakPolarHBondContact O-CB 3.32Å; C28-Q32 VanDerWaalsContact O-CG 3.32Å; C28-Q32 WeakPolarHBondContact O-CG 3.31Å; C28-Q32 PolarHBondContact O-N 3.15Å; S29-Q32 PolarHBondContact O-N 2.91Å; Q32-M35 PolarHBondContact O-N 3.2Å; Q32-Q36 WeakPolarHBondContact O-CB 3.46Å; Q32-Q36 PolarHBondContact O-N 3.47Å
33	Y	45.9	Very low	47	Very low	67 Å²	67	92.8 Å²	92.8	26%	0.263	49%	0.489	S	S	.	.	H	α-helix	trans	-60.8	-47	177.6	-175.1	-88.3	0	0	0	111.5	S29 E30 Q36 K37 Y75 M76	S29-Y33 WeakPolarHBondContact O-CB 3.42Å; S29-Y33 PolarHBondContact O-N 3.07Å; E30-Y33 PolarHBondContact O-N 3.09Å; Y33-Q36 PolarHBondContact O-N 3.01Å; Y33-K37 WeakPolarHBondContact O-CB 3.34Å; Y33-K37 PolarHBondContact O-N 3.37Å; Y33-Y75 WeakPolarHBondContact OH-CD1 3.24Å; Y33-Y75 WeakPolarHBondContact OH-CE1 3.2Å; Y33-M76 HydrophobicContact CD1-CE 3.57Å; Y33-M76 HydrophobicContact CD2-CE 3.25Å; Y33-M76 HydrophobicContact CE1-CE 3.47Å; Y33-M76 VanDerWaalsContact CE1-CE 3.47Å; Y33-M76 HydrophobicContact CE1-CG 4.37Å; Y33-M76 HydrophobicContact CE2-CE 3.15Å; Y33-M76 HydrophobicContact CE2-CG 4.16Å; Y33-M76 HydrophobicContact CE2-SD 4.42Å; Y33-M76 HydrophobicContact CG-CE 3.43Å; Y33-M76 VanDerWaalsContact CG-CE 3.43Å; Y33-M76 WeakPolarHBondContact O-CE 3.27Å; Y33-M76 WeakPolarHBondContact OH-CG 3.45Å
34	L	44.2	Very low	48.9	Very low	105 Å²	105	88.8 Å²	88.8	55%	0.55	46%	0.464	S	S	.	.	H	α-helix	trans	-67.3	-40.1	176.8	-72	168.3	0	0	0	112.4	E30 K38	E30-L34 HydrophobicContact CG-CD1 4.45Å; E30-L34 WeakPolarHBondContact O-CB 3.22Å; E30-L34 VanDerWaalsContact O-CG 3.27Å; E30-L34 WeakPolarHBondContact O-CG 3.1Å; E30-L34 PolarHBondContact O-N 2.87Å; L34-K38 VanDerWaalsContact O-CB 3.32Å; L34-K38 WeakPolarHBondContact O-CB 3.43Å; L34-K38 PolarHBondContact O-N 3.08Å
35	M	40	Very low	50.4	Low	129 Å²	129	84.8 Å²	84.8	64%	0.635	45%	0.454	S	S	*	.	H	α-helix	trans	-64.3	-42.2	175.9	-76.9	-162.3	-66.5	0	0	112.1	S31 Q32 K38 S39	S31-M35 WeakPolarHBondContact O-CB 3.14Å; S31-M35 VanDerWaalsContact O-CG 3.31Å; S31-M35 WeakPolarHBondContact O-CG 3.42Å; S31-M35 PolarHBondContact O-N 2.88Å; Q32-M35 PolarHBondContact O-N 3.2Å; M35-K38 PolarHBondContact O-N 2.88Å; M35-S39 WeakPolarHBondContact O-CB 3.43Å; M35-S39 PolarHBondContact O-N 3.25Å
36	Q	55.9	Low	51.9	Low	62 Å²	62	80.3 Å²	80.3	29%	0.29	45%	0.45	S	S	.	.	H	α-helix	trans	-65.2	-47.7	177.5	-168	174.3	14.2	0	0	110.8	Q32 Y33 K38 S39 Y40	Q32-Q36 WeakPolarHBondContact O-CB 3.46Å; Q32-Q36 PolarHBondContact O-N 3.47Å; Y33-Q36 PolarHBondContact O-N 3.01Å; Q36-K38 VanDerWaalsContact C-N 3.34Å; Q36-K38 PolarHBondContact O-N 3.29Å; Q36-S39 PolarHBondContact O-N 2.84Å; Q36-Y40 HydrophobicContact CG-CD2 3.86Å; Q36-Y40 HydrophobicContact CG-CE2 3.58Å; Q36-Y40 WeakPolarHBondContact O-CD2 3.16Å; Q36-Y40 PolarHBondContact O-N 2.93Å
37	K	56.2	Low	53.5	Low	39 Å²	39	77.9 Å²	77.9	17%	0.17	43%	0.432	C	S	.	.	H	α-helix	trans	-55.9	-47.3	175.2	-176.7	171.2	179.3	170.3	0	111.8	Y33 Y40 I41 M76 E79	Y33-K37 WeakPolarHBondContact O-CB 3.34Å; Y33-K37 PolarHBondContact O-N 3.37Å; K37-Y40 PolarHBondContact O-N 2.77Å; K37-I41 HydrophobicContact CD-CD1 4.45Å; K37-I41 HydrophobicContact CG-CD1 3.74Å; K37-I41 HydrophobicContact CG-CG1 4.44Å; K37-I41 VanDerWaalsContact O-CG1 3.29Å; K37-I41 WeakPolarHBondContact O-CG1 3.42Å; K37-I41 PolarHBondContact O-N 3.03Å; K37-M76 HydrophobicContact CB-CE 3.95Å; K37-M76 HydrophobicContact CB-SD 3.82Å; K37-M76 HydrophobicContact CG-SD 4.32Å; K37-E79 IonicContact NZ-OE1 3.36Å; K37-E79 IonicContact NZ-OE2 3.75Å; K37-E79 PolarHBondContact NZ-OE2 3.38Å
38	K	56.8	Low	55.8	Low	136 Å²	136	82.6 Å²	82.6	59%	0.591	45%	0.453	S	S	*	.	H	α-helix	trans	-62.9	-45.5	180	-170.3	174.3	-179.9	-177.2	0	111.8	L34 M35 Q36 Y40 I41 D42	L34-K38 VanDerWaalsContact O-CB 3.32Å; L34-K38 WeakPolarHBondContact O-CB 3.43Å; L34-K38 PolarHBondContact O-N 3.08Å; M35-K38 PolarHBondContact O-N 2.88Å; Q36-K38 VanDerWaalsContact C-N 3.34Å; Q36-K38 PolarHBondContact O-N 3.29Å; K38-Y40 VanDerWaalsContact C-N 3.33Å; K38-Y40 PolarHBondContact O-N 3.48Å; K38-I41 PolarHBondContact O-N 2.97Å; K38-D42 WeakPolarHBondContact O-CB 3.43Å; K38-D42 PolarHBondContact O-N 2.75Å
39	S	67	Low	58.4	Low	79 Å²	79	82.9 Å²	82.9	55%	0.552	45%	0.446	S	S	*	.	H	α-helix	trans	-59.9	-40.3	176.7	179.7	0	0	0	0	112.9	M35 Q36 L43	M35-S39 WeakPolarHBondContact O-CB 3.43Å; M35-S39 PolarHBondContact O-N 3.25Å; Q36-S39 PolarHBondContact O-N 2.84Å; S39-L43 WeakPolarHBondContact O-CB 3.19Å; S39-L43 PolarHBondContact O-N 3.13Å; S39-L43 VanDerWaalsContact O-N 3.13Å
40	Y	66.2	Low	61	Low	45 Å²	45	80 Å²	80	18%	0.176	43%	0.425	C	S	.	.	H	α-helix	trans	-70.4	-41.4	175.8	-80.7	-73.1	0	0	0	112.3	Q36 K37 K38 L43 L44 I53 L72	Q36-Y40 HydrophobicContact CG-CD2 3.86Å; Q36-Y40 HydrophobicContact CG-CE2 3.58Å; Q36-Y40 WeakPolarHBondContact O-CD2 3.16Å; Q36-Y40 PolarHBondContact O-N 2.93Å; K37-Y40 PolarHBondContact O-N 2.77Å; K38-Y40 VanDerWaalsContact C-N 3.33Å; K38-Y40 PolarHBondContact O-N 3.48Å; Y40-L43 PolarHBondContact O-N 3.15Å; Y40-L44 VanDerWaalsContact O-CB 3.28Å; Y40-L44 WeakPolarHBondContact O-CB 3.28Å; Y40-L44 WeakPolarHBondContact O-CG 3.49Å; Y40-L44 PolarHBondContact O-N 3.38Å; Y40-I53 HydrophobicContact CD1-CD1 4.1Å; Y40-I53 HydrophobicContact CE1-CD1 4.24Å; Y40-I53 HydrophobicContact CE1-CG2 4.12Å; Y40-L72 HydrophobicContact CD2-CB 4.44Å; Y40-L72 HydrophobicContact CD2-CD1 3.58Å; Y40-L72 HydrophobicContact CE2-CB 4.1Å; Y40-L72 HydrophobicContact CE2-CD1 4Å; Y40-L72 HydrophobicContact CG-CD1 4.04Å
41	I	64.1	Low	63.7	Low	62 Å²	62	74.9 Å²	74.9	32%	0.318	40%	0.402	S	S	.	.	H	α-helix	trans	-60.9	-47.5	176.5	-71.8	169.8	0	0	0	110.4	K37 K38 L43 L44 A45 L80	K37-I41 HydrophobicContact CD-CD1 4.45Å; K37-I41 HydrophobicContact CG-CD1 3.74Å; K37-I41 HydrophobicContact CG-CG1 4.44Å; K37-I41 VanDerWaalsContact O-CG1 3.29Å; K37-I41 WeakPolarHBondContact O-CG1 3.42Å; K37-I41 PolarHBondContact O-N 3.03Å; K38-I41 PolarHBondContact O-N 2.97Å; I41-L43 VanDerWaalsContact C-N 3.33Å; I41-L43 PolarHBondContact O-N 2.77Å; I41-L44 PolarHBondContact O-N 3.04Å; I41-A45 WeakPolarHBondContact O-CB 3.08Å; I41-A45 PolarHBondContact O-N 3.3Å; I41-L80 HydrophobicContact CD1-CD2 3.9Å; I41-L80 HydrophobicContact CG1-CD2 3.39Å
42	D	66.1	Low	66.6	Low	90 Å²	90	72 Å²	72	48%	0.481	38%	0.381	S	S	.	.	H	α-helix	trans	-60.9	-45.4	-179.1	-68.4	-19.6	0	0	0	110.1	K38 A45 S46	K38-D42 WeakPolarHBondContact O-CB 3.43Å; K38-D42 PolarHBondContact O-N 2.75Å; D42-A45 PolarHBondContact O-N 3.34Å; D42-S46 VanDerWaalsContact O-CB 3.28Å; D42-S46 WeakPolarHBondContact O-CB 3.4Å; D42-S46 PolarHBondContact O-N 2.88Å; D42-S46 PolarHBondContact O-OG 2.84Å
43	L	67.2	Low	69.1	Low	85 Å²	85	67.2 Å²	67.2	45%	0.445	36%	0.359	S	S	.	.	H	α-helix	trans	-58.8	-49.3	174.6	-179.1	69.3	0	0	0	112.5	S39 Y40 I41 A45 S46	S39-L43 WeakPolarHBondContact O-CB 3.19Å; S39-L43 PolarHBondContact O-N 3.13Å; S39-L43 VanDerWaalsContact O-N 3.13Å; Y40-L43 PolarHBondContact O-N 3.15Å; I41-L43 VanDerWaalsContact C-N 3.33Å; I41-L43 PolarHBondContact O-N 2.77Å; L43-A45 VanDerWaalsContact C-N 3.33Å; L43-A45 PolarHBondContact O-N 2.75Å; L43-S46 PolarHBondContact O-OG 2.68Å
44	L	75.2	Confident	71.6	Confident	6 Å²	6	64 Å²	64	3%	0.031	35%	0.347	C	S	.	.	H	α-helix	trans	-74.3	-22.1	-176.1	-69.9	177.8	0	0	0	113.5	Y40 I41 H51 I53 L80 L199 Y201	Y40-L44 VanDerWaalsContact O-CB 3.28Å; Y40-L44 WeakPolarHBondContact O-CB 3.28Å; Y40-L44 WeakPolarHBondContact O-CG 3.49Å; Y40-L44 PolarHBondContact O-N 3.38Å; I41-L44 PolarHBondContact O-N 3.04Å; L44-H51 HydrophobicContact CD2-CB 3.71Å; L44-I53 HydrophobicContact CD1-CD1 4.4Å; L44-I53 HydrophobicContact CD2-CD1 3.88Å; L44-I53 HydrophobicContact CG-CD1 4.43Å; L44-L80 HydrophobicContact CD1-CD1 4.07Å; L44-L199 HydrophobicContact CD1-CD2 4.31Å; L44-Y201 HydrophobicContact CB-CD1 3.86Å; L44-Y201 HydrophobicContact CB-CE1 3.75Å; L44-Y201 HydrophobicContact CD1-CD1 4.28Å; L44-Y201 HydrophobicContact CD1-CD2 4.3Å; L44-Y201 HydrophobicContact CD1-CG 4.12Å; L44-Y201 HydrophobicContact CD2-CD1 3.75Å; L44-Y201 HydrophobicContact CD2-CG 3.97Å; L44-Y201 HydrophobicContact CG-CD1 4.17Å; L44-Y201 HydrophobicContact CG-CG 4.43Å; L44-Y201 WeakPolarHBondContact O-CE1 3.49Å
45	A	65.4	Low	74.1	Confident	76 Å²	76	59 Å²	59	63%	0.628	32%	0.32	S	S	*	.	H	α-helix	trans	-91.2	-27.2	179.4	0	0	0	0	0	112.8	I41 D42 L43	I41-A45 WeakPolarHBondContact O-CB 3.08Å; I41-A45 PolarHBondContact O-N 3.3Å; D42-A45 PolarHBondContact O-N 3.34Å; L43-A45 VanDerWaalsContact C-N 3.33Å; L43-A45 PolarHBondContact O-N 2.75Å
46	S	63.6	Low	76.9	Confident	97 Å²	97	53.1 Å²	53.1	68%	0.678	29%	0.292	S	S	*	.	H	α-helix	trans	-79.6	-23.1	-176.3	60.3	0	0	0	0	114.2	D42 L43	D42-S46 VanDerWaalsContact O-CB 3.28Å; D42-S46 WeakPolarHBondContact O-CB 3.4Å; D42-S46 PolarHBondContact O-N 2.88Å; D42-S46 PolarHBondContact O-OG 2.84Å; L43-S46 PolarHBondContact O-OG 2.68Å
47	D	68	Low	78.9	Confident	52 Å²	52	50.2 Å²	50.2	28%	0.278	28%	0.278	S	S	.	.			trans	-117.3	137.1	-171.8	-160.1	-12.3	0	0	0	112.3	E49	D47-E49 HydrophobicContact CB-CB 4.47Å; D47-E49 WeakPolarHBondContact OD1-CB 3.4Å; D47-E49 VanDerWaalsContact OD1-CG 3.27Å; D47-E49 WeakPolarHBondContact OD1-CG 3.43Å; D47-E49 PolarHBondContact OD1-N 3.22Å; D47-E49 WeakPolarHBondContact OD2-CB 3.1Å; D47-E49 VanDerWaalsContact OD2-CD 3.22Å; D47-E49 WeakPolarHBondContact OD2-CG 3.29Å
48	N	81.2	Confident	80.9	Confident	152 Å²	152	51.1 Å²	51.1	81%	0.813	28%	0.284	S	S	*	.			trans	-85.7	10.9	170.1	-77	-41	0	0	0	112.3	N202	N48-N202 WeakPolarHBondContact CA-ND2 3.46Å; N48-N202 PolarHBondContact O-ND2 2.81Å
49	E	88.4	Confident	82.8	Confident	87 Å²	87	44.7 Å²	44.7	41%	0.407	26%	0.256	S	S	.	.	S	Bend	trans	-75.2	156.5	171.7	-74	-175.2	-170	0	0	114.7	D47 H51 N202	D47-E49 HydrophobicContact CB-CB 4.47Å; D47-E49 WeakPolarHBondContact OD1-CB 3.4Å; D47-E49 VanDerWaalsContact OD1-CG 3.27Å; D47-E49 WeakPolarHBondContact OD1-CG 3.43Å; D47-E49 PolarHBondContact OD1-N 3.22Å; D47-E49 WeakPolarHBondContact OD2-CB 3.1Å; D47-E49 VanDerWaalsContact OD2-CD 3.22Å; D47-E49 WeakPolarHBondContact OD2-CG 3.29Å; E49-H51 PolarHBondContact O-CD2 2.7Å; E49-H51 VanDerWaalsContact O-CD2 3.31Å; E49-N202 PolarHBondContact N-ND2 2.85Å; E49-N202 WeakPolarHBondContact O-CB 3.18Å; E49-N202 PolarHBondContact O-ND2 2.81Å
50	C	94	Very high	84.1	Confident	16 Å²	16	43.6 Å²	43.6	11%	0.108	24%	0.243	C	C	.	.			trans	-81.2	123.5	174.4	165.5	0	0	0	0	110.5	N202 C203 I249 N250	C50-N202 WeakPolarHBondContact CA-O 3.13Å; C50-C203 WeakPolarHBondContact CA-SG 3.09Å; C50-C203 HydrophobicContact CB-CB 3.93Å; C50-C203 WeakPolarHBondContact CB-SG 3.17Å; C50-C203 WeakPolarHBondContact SG-CB 3.5Å; C50-C203 CovalentContact SG-SG 2.03Å; C50-C203 PolarHBondContact SG-SG 3.48Å; C50-I249 WeakPolarHBondContact O-CA 3.45Å; C50-N250 PolarHBondContact O-N 2.77Å
51	H	93.9	Very high	85.5	Confident	12 Å²	12	46 Å²	46	6%	0.056	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	131.9	177.6	-63.3	-72.8	0	0	0	111.6	L44 E49 I53 Y201 C203 N250	L44-H51 HydrophobicContact CD2-CB 3.71Å; E49-H51 PolarHBondContact O-CD2 2.7Å; E49-H51 VanDerWaalsContact O-CD2 3.31Å; H51-I53 HydrophobicContact CB-CD1 4.46Å; H51-I53 HydrophobicContact CB-CG1 4.42Å; H51-Y201 PolarHBondContact N-O 3.43Å; H51-Y201 PolarHBondContact O-N 3.14Å; H51-C203 PolarHBondContact N-SG 2.98Å; H51-C203 VanDerWaalsContact N-SG 3.41Å; H51-C203 PolarHBondContact O-SG 3.46Å; H51-N250 WeakPolarHBondContact CA-OD1 3.34Å; H51-N250 PolarHBondContact ND1-OD1 3.18Å
52	V	96.6	Very high	87	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	116.5	168.1	-176.6	0	0	0	0	107.8	V198 L199 I200 I206 I249 N250 F415 L445	V52-V198 HydrophobicContact CG1-CB 3.9Å; V52-V198 HydrophobicContact CG1-CG1 3.99Å; V52-L199 CarbonylContact C-O 3.56Å; V52-L199 WeakPolarHBondContact CA-O 3.38Å; V52-I200 HydrophobicContact CG1-CG1 4.32Å; V52-I200 HydrophobicContact CG2-CG1 4.29Å; V52-I200 HydrophobicContact CG2-CG2 4.41Å; V52-I206 HydrophobicContact CG2-CD1 4.21Å; V52-I249 HydrophobicContact CB-CG2 3.57Å; V52-I249 HydrophobicContact CG2-CD1 4.08Å; V52-I249 HydrophobicContact CG2-CG1 4.32Å; V52-I249 HydrophobicContact CG2-CG2 3.66Å; V52-N250 PolarHBondContact N-OD1 3.21Å; V52-N250 VanDerWaalsContact N-OD1 3.08Å; V52-N250 PolarHBondContact O-ND2 3.12Å; V52-F415 HydrophobicContact CG1-CE1 4.05Å; V52-F415 HydrophobicContact CG1-CZ 4.14Å; V52-L445 HydrophobicContact CG1-CD2 3.86Å
53	I	95.4	Very high	88.5	Confident	14 Å²	14	43.9 Å²	43.9	7%	0.072	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	131.8	-169.7	-58	176.4	0	0	0	108.3	Y40 L44 H51 V198 L199	Y40-I53 HydrophobicContact CD1-CD1 4.1Å; Y40-I53 HydrophobicContact CE1-CD1 4.24Å; Y40-I53 HydrophobicContact CE1-CG2 4.12Å; L44-I53 HydrophobicContact CD1-CD1 4.4Å; L44-I53 HydrophobicContact CD2-CD1 3.88Å; L44-I53 HydrophobicContact CG-CD1 4.43Å; H51-I53 HydrophobicContact CB-CD1 4.46Å; H51-I53 HydrophobicContact CB-CG1 4.42Å; I53-V198 CarbonylContact O-C 3.42Å; I53-V198 WeakPolarHBondContact O-CA 3.39Å; I53-L199 PolarHBondContact N-O 3.18Å; I53-L199 PolarHBondContact O-N 3.3Å
54	L	97.5	Very high	89.8	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	135.8	168.5	-68.9	-177.9	0	0	0	109.5	H71 V198 I397 L445 Q448 L449 V452	L54-H71 WeakPolarHBondContact O-CB 3.06Å; L54-V198 HydrophobicContact CD2-CG1 4.13Å; L54-I397 HydrophobicContact CD2-CD1 3.56Å; L54-L445 HydrophobicContact CD2-CD1 3.76Å; L54-L445 HydrophobicContact CD2-CG 4.25Å; L54-L445 HydrophobicContact CG-CD1 3.6Å; L54-L445 HydrophobicContact CG-CG 4.43Å; L54-Q448 HydrophobicContact CD1-CB 3.65Å; L54-Q448 HydrophobicContact CG-CB 4.49Å; L54-L449 HydrophobicContact CD1-CB 4.11Å; L54-L449 HydrophobicContact CD1-CD1 4.26Å; L54-L449 HydrophobicContact CD2-CD1 4.3Å; L54-V452 HydrophobicContact CD1-CG2 4.21Å
55	V	98	Very high	90.7	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	144.9	174.3	-54.3	0	0	0	0	109.4	L72 A77 Y179 L196 G197 L199	V55-L72 CarbonylContact C-O 3.59Å; V55-L72 VanDerWaalsContact CA-O 3.24Å; V55-L72 WeakPolarHBondContact CA-O 3.32Å; V55-L72 WeakPolarHBondContact CB-O 3.45Å; V55-L72 HydrophobicContact CG1-CB 4.2Å; V55-L72 HydrophobicContact CG1-CD2 4.2Å; V55-A77 HydrophobicContact CB-CB 4.32Å; V55-A77 HydrophobicContact CG1-CB 3.82Å; V55-A77 HydrophobicContact CG2-CB 4.49Å; V55-Y179 HydrophobicContact CG2-CD2 3.91Å; V55-Y179 HydrophobicContact CG2-CE2 3.56Å; V55-L196 WeakPolarHBondContact O-CA 3.41Å; V55-G197 PolarHBondContact N-O 3.09Å; V55-G197 PolarHBondContact O-N 2.79Å; V55-L199 HydrophobicContact CG1-CB 3.64Å
56	E	98.3	Very high	91.9	Very high	6 Å²	6	51.4 Å²	51.4	3%	0.028	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	144.3	-177.5	-63.4	-171.5	84.1	0	0	110.8	I58 H71 L72 S73 T74 K194 E195 L196 R455	E56-I58 HydrophobicContact CB-CD1 4.06Å; E56-I58 HydrophobicContact CB-CG1 4.44Å; E56-H71 HydrophobicContact CG-CB 4.13Å; E56-H71 IonicContact OE2-CE1 3.46Å; E56-H71 IonicContact OE2-CG 3.38Å; E56-H71 IonicContact OE2-ND1 2.62Å; E56-H71 PolarHBondContact OE2-ND1 3.35Å; E56-L72 PolarHBondContact N-O 2.68Å; E56-S73 WeakPolarHBondContact O-CA 3.41Å; E56-T74 PolarHBondContact O-N 2.66Å; E56-T74 VanDerWaalsContact O-N 3.15Å; E56-K194 IonicContact OE1-NZ 3.04Å; E56-K194 PolarHBondContact OE1-NZ 3.25Å; E56-E195 VanDerWaalsContact CA-O 3.26Å; E56-E195 WeakPolarHBondContact CA-O 3.47Å; E56-L196 HydrophobicContact CG-CD1 4.27Å; E56-R455 IonicContact OE1-CZ 3.96Å; E56-R455 IonicContact OE1-NH1 2.68Å; E56-R455 PolarHBondContact OE1-NH1 3.3Å; E56-R455 IonicContact OE1-NH2 3.64Å; E56-R455 PolarHBondContact OE1-NH2 2.89Å; E56-R455 IonicContact OE2-CZ 2.66Å; E56-R455 IonicContact OE2-NH1 3.97Å; E56-R455 PolarHBondContact OE2-NH1 2.87Å; E56-R455 IonicContact OE2-NH2 3.42Å
57	S	98.3	Very high	93.1	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.007	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	123.7	156.6	-62	0	0	0	0	107.3	T74 S189 K194 E195	S57-T74 PolarHBondContact N-OG1 3.46Å; S57-T74 WeakPolarHBondContact OG-CB 3.39Å; S57-T74 PolarHBondContact OG-OG1 2.96Å; S57-S189 WeakPolarHBondContact CB-O 3.32Å; S57-S189 PolarHBondContact OG-O 3.46Å; S57-K194 VanDerWaalsContact O-CA 3.25Å; S57-K194 WeakPolarHBondContact O-CA 3.32Å; S57-E195 PolarHBondContact N-O 2.84Å; S57-E195 PolarHBondContact O-N 2.93Å
58	I	97.8	Very high	94.3	Very high	57 Å²	57	49.1 Å²	49.1	29%	0.292	28%	0.283	S	S	.	.			trans	-106	123.9	175.9	-57.7	-53.9	0	0	0	107	E56 V62 F64	E56-I58 HydrophobicContact CB-CD1 4.06Å; E56-I58 HydrophobicContact CB-CG1 4.44Å; I58-V62 HydrophobicContact CG2-CB 3.98Å; I58-V62 HydrophobicContact CG2-CG1 4.08Å; I58-V62 WeakPolarHBondContact CG2-O 3.44Å; I58-F64 HydrophobicContact CD1-CE2 4.09Å; I58-F64 HydrophobicContact CG2-CE2 4.27Å
59	P	97	Very high	94.7	Very high	2 Å²	2	43.8 Å²	43.8	1%	0.013	26%	0.257	C	S	.	.			trans	-56.1	142.1	-179.8	-25.3	33.1	0	0	0	111.8	N61 V62 T191 K194 V368	P59-N61 PolarHBondContact O-N 3.33Å; P59-V62 HydrophobicContact CB-CB 4.47Å; P59-V62 HydrophobicContact CB-CG2 3.85Å; P59-V62 HydrophobicContact CG-CG2 4.31Å; P59-V62 VanDerWaalsContact O-CB 3.28Å; P59-V62 WeakPolarHBondContact O-CB 3.47Å; P59-V62 PolarHBondContact O-N 2.89Å; P59-T191 CarbonylContact C-O 3.59Å; P59-T191 WeakPolarHBondContact CA-O 3.48Å; P59-K194 HydrophobicContact CG-CB 3.93Å; P59-V368 HydrophobicContact CB-CG1 3.74Å; P59-V368 HydrophobicContact CG-CG1 3.65Å; P59-V368 HydrophobicContact CG-CG2 4.23Å
60	E	94.8	Very high	94.8	Very high	56 Å²	56	47 Å²	47	26%	0.262	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.5	139.8	176.9	-77.2	174.3	-177.8	0	0	111.4	V62 T191 Q192 R382	E60-V62 PolarHBondContact O-N 3.43Å; E60-V62 VanDerWaalsContact O-N 3.14Å; E60-T191 WeakPolarHBondContact CG-O 3.3Å; E60-T191 PolarHBondContact N-O 2.72Å; E60-Q192 PolarHBondContact OE2-NE2 2.96Å; E60-R382 PolarHBondContact O-NH1 2.99Å; E60-R382 PolarHBondContact O-NH2 2.96Å
61	N	94.9	Very high	94.8	Very high	96 Å²	96	47.5 Å²	47.5	51%	0.513	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.5	2.7	-175.5	-49.2	107.4	0	0	0	115.9	P59 T63 Y371 Q375	P59-N61 PolarHBondContact O-N 3.33Å; N61-T63 PolarHBondContact O-N 3.22Å; N61-Y371 HydrophobicContact CB-CD2 3.52Å; N61-Y371 HydrophobicContact CB-CE2 3.78Å; N61-Y371 HydrophobicContact CB-CG 4.44Å; N61-Y371 WeakPolarHBondContact O-CE2 3.27Å; N61-Q375 PolarHBondContact OD1-NE2 3.38Å
62	V	96.5	Very high	94.8	Very high	10 Å²	10	47 Å²	47	6%	0.061	27%	0.268	C	S	.	.			trans	-82	113	166.2	176.7	0	0	0	0	108.6	I58 P59 E60 F64 V368 P369 F461	I58-V62 HydrophobicContact CG2-CB 3.98Å; I58-V62 HydrophobicContact CG2-CG1 4.08Å; I58-V62 WeakPolarHBondContact CG2-O 3.44Å; P59-V62 HydrophobicContact CB-CB 4.47Å; P59-V62 HydrophobicContact CB-CG2 3.85Å; P59-V62 HydrophobicContact CG-CG2 4.31Å; P59-V62 VanDerWaalsContact O-CB 3.28Å; P59-V62 WeakPolarHBondContact O-CB 3.47Å; P59-V62 PolarHBondContact O-N 2.89Å; E60-V62 PolarHBondContact O-N 3.43Å; E60-V62 VanDerWaalsContact O-N 3.14Å; V62-F64 HydrophobicContact CG1-CE2 4.23Å; V62-F64 HydrophobicContact CG1-CZ 4.27Å; V62-V368 HydrophobicContact CG2-CG1 4.04Å; V62-P369 HydrophobicContact CG2-CG 4.36Å; V62-F461 HydrophobicContact CG1-CD2 3.94Å; V62-F461 HydrophobicContact CG1-CE2 3.52Å; V62-F461 HydrophobicContact CG1-CZ 3.87Å
63	T	96.2	Very high	94.8	Very high	97 Å²	97	48.2 Å²	48.2	60%	0.595	28%	0.277	S	S	*	.			trans	-120.8	126	-179.6	51.6	0	0	0	0	110.4	N61	N61-T63 PolarHBondContact O-N 3.22Å
64	F	95.8	Very high	95	Very high	42 Å²	42	47.6 Å²	47.6	18%	0.184	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-88.7	160.4	172.1	-63.5	-79.2	0	0	0	111.3	I58 V62 F366 R455 D456 F461	I58-F64 HydrophobicContact CD1-CE2 4.09Å; I58-F64 HydrophobicContact CG2-CE2 4.27Å; V62-F64 HydrophobicContact CG1-CE2 4.23Å; V62-F64 HydrophobicContact CG1-CZ 4.27Å; F64-F366 HydrophobicContact CZ-CZ 4.32Å; F64-R455 HydrophobicContact CB-CG 4.16Å; F64-R455 HydrophobicContact CD1-CG 3.73Å; F64-R455 HydrophobicContact CE1-CG 4.24Å; F64-R455 HydrophobicContact CG-CG 3.89Å; F64-D456 WeakPolarHBondContact CE1-OD1 3.32Å; F64-D456 WeakPolarHBondContact CZ-OD1 3.27Å; F64-F461 HydrophobicContact CD1-CD2 4.4Å; F64-F461 HydrophobicContact CD1-CE2 4.15Å; F64-F461 AromaticContact CE1-CD2 3.88Å; F64-F461 HydrophobicContact CE1-CD2 3.88Å; F64-F461 HydrophobicContact CE1-CE2 4.02Å; F64-F461 HydrophobicContact CZ-CD2 4.4Å
65	S	93.5	Very high	95	Very high	89 Å²	89	48.9 Å²	48.9	62%	0.622	28%	0.279	S	S	*	.	P	Polyproline II helix	trans	-51.1	149.3	176.8	65.1	0	0	0	0	113.5	G67 S68	S65-G67 PolarHBondContact O-N 3.07Å; S65-S68 WeakPolarHBondContact O-CB 3.4Å; S65-S68 PolarHBondContact O-N 2.9Å; S65-S68 VanDerWaalsContact O-N 3.08Å; S65-S68 PolarHBondContact O-OG 2.68Å; S65-S68 PolarHBondContact OG-OG 2.9Å
66	M	90.8	Very high	94.9	Very high	194 Å²	194	49 Å²	49	96%	0.956	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	138.5	177.3	-171.2	173.6	69	0	0	111.4	S68	M66-S68 PolarHBondContact O-N 3.04Å
67	G	88.9	Confident	94.8	Very high	79 Å²	79	48.7 Å²	48.7	81%	0.814	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	81	-5.1	-176.1	0	0	0	0	0	114.6	S65	S65-G67 PolarHBondContact O-N 3.07Å
68	S	92.2	Very high	94.8	Very high	21 Å²	21	48.6 Å²	48.6	15%	0.147	28%	0.277	C	S	.	.			trans	-60.8	146.5	171	-71.5	0	0	0	0	111.6	S65 M66 K70	S65-S68 WeakPolarHBondContact O-CB 3.4Å; S65-S68 PolarHBondContact O-N 2.9Å; S65-S68 VanDerWaalsContact O-N 3.08Å; S65-S68 PolarHBondContact O-OG 2.68Å; S65-S68 PolarHBondContact OG-OG 2.9Å; M66-S68 PolarHBondContact O-N 3.04Å; S68-K70 PolarHBondContact O-N 3.35Å
69	P	91	Very high	94.8	Very high	40 Å²	40	46.4 Å²	46.4	26%	0.26	27%	0.266	S	S	.	.			trans	-54.3	132.5	176.1	-23	30.5	0	0	0	112	N451 R455	P69-N451 HydrophobicContact CG-CB 3.79Å; P69-R455 PolarHBondContact O-NH1 3.3Å
70	K	90.3	Very high	94.7	Very high	155 Å²	155	47 Å²	47	67%	0.674	27%	0.269	S	S	*	.			trans	-122.3	135.8	174.1	-64.1	-176.8	-178.7	-177.1	0	108.8	S68	S68-K70 PolarHBondContact O-N 3.35Å
71	H	93	Very high	94.9	Very high	26 Å²	26	44.3 Å²	44.3	12%	0.12	26%	0.256	C	S	.	.			trans	-121	167	-178.8	-62.7	95.6	0	0	0	110.5	L54 E56 V452	L54-H71 WeakPolarHBondContact O-CB 3.06Å; E56-H71 HydrophobicContact CG-CB 4.13Å; E56-H71 IonicContact OE2-CE1 3.46Å; E56-H71 IonicContact OE2-CG 3.38Å; E56-H71 IonicContact OE2-ND1 2.62Å; E56-H71 PolarHBondContact OE2-ND1 3.35Å; H71-V452 WeakPolarHBondContact CE1-CG2 3.47Å
72	L	94.4	Very high	95.1	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	140.6	174	-175.4	75.6	0	0	0	109.6	Y40 V55 E56 M76 A77 L80 L199	Y40-L72 HydrophobicContact CD2-CB 4.44Å; Y40-L72 HydrophobicContact CD2-CD1 3.58Å; Y40-L72 HydrophobicContact CE2-CB 4.1Å; Y40-L72 HydrophobicContact CE2-CD1 4Å; Y40-L72 HydrophobicContact CG-CD1 4.04Å; V55-L72 CarbonylContact C-O 3.59Å; V55-L72 VanDerWaalsContact CA-O 3.24Å; V55-L72 WeakPolarHBondContact CA-O 3.32Å; V55-L72 WeakPolarHBondContact CB-O 3.45Å; V55-L72 HydrophobicContact CG1-CB 4.2Å; V55-L72 HydrophobicContact CG1-CD2 4.2Å; E56-L72 PolarHBondContact N-O 2.68Å; L72-M76 HydrophobicContact CD1-CB 3.66Å; L72-M76 HydrophobicContact CD1-CG 4.24Å; L72-M76 HydrophobicContact CD1-SD 3.4Å; L72-M76 WeakPolarHBondContact CD1-SD 3.38Å; L72-M76 HydrophobicContact CD2-CB 4.47Å; L72-M76 HydrophobicContact CG-CB 3.94Å; L72-M76 HydrophobicContact CG-SD 4.45Å; L72-A77 HydrophobicContact CD2-CB 3.91Å; L72-L80 HydrophobicContact CD2-CD1 3.88Å; L72-L199 HydrophobicContact CD2-CD2 3.79Å
73	S	96.9	Very high	95	Very high	27 Å²	27	43.5 Å²	43.5	19%	0.189	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	147.2	176.7	76.6	0	0	0	0	111.4	E56 Y75 M76 A77	E56-S73 WeakPolarHBondContact O-CA 3.41Å; S73-Y75 PolarHBondContact O-N 2.79Å; S73-M76 PolarHBondContact O-N 3.11Å; S73-M76 VanDerWaalsContact O-N 3.14Å; S73-M76 WeakPolarHBondContact OG-CB 3.19Å; S73-M76 WeakPolarHBondContact OG-CG 3.49Å; S73-M76 PolarHBondContact OG-N 2.97Å; S73-A77 PolarHBondContact O-N 2.99Å
74	T	98.1	Very high	95	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-56	-38.8	173	-53.2	0	0	0	0	111.4	E56 S57 A77 W78 Y179 A183 L190	E56-T74 PolarHBondContact O-N 2.66Å; E56-T74 VanDerWaalsContact O-N 3.15Å; S57-T74 PolarHBondContact N-OG1 3.46Å; S57-T74 WeakPolarHBondContact OG-CB 3.39Å; S57-T74 PolarHBondContact OG-OG1 2.96Å; T74-A77 WeakPolarHBondContact O-CB 3.39Å; T74-A77 PolarHBondContact O-N 2.92Å; T74-W78 HydrophobicContact CG2-CD2 4.2Å; T74-W78 HydrophobicContact CG2-CZ2 3.96Å; T74-W78 PolarHBondContact O-N 2.9Å; T74-Y179 HydrophobicContact CG2-CE2 3.92Å; T74-A183 HydrophobicContact CG2-CB 3.81Å; T74-L190 HydrophobicContact CG2-CD2 4.01Å
75	Y	97.7	Very high	95.1	Very high	27 Å²	27	37.7 Å²	37.7	11%	0.106	22%	0.22	C	C	.	.	H	α-helix	trans	-57.8	-50.1	174.9	167.2	-123.5	0	0	0	112.4	Y33 S73 A77 W78 E79 Q111 N114 I115 L190	Y33-Y75 WeakPolarHBondContact OH-CD1 3.24Å; Y33-Y75 WeakPolarHBondContact OH-CE1 3.2Å; S73-Y75 PolarHBondContact O-N 2.79Å; Y75-A77 VanDerWaalsContact C-N 3.32Å; Y75-A77 PolarHBondContact O-N 3.42Å; Y75-W78 PolarHBondContact O-N 3.35Å; Y75-E79 HydrophobicContact CD2-CG 4.28Å; Y75-E79 HydrophobicContact CE2-CG 3.88Å; Y75-E79 PolarHBondContact O-N 2.93Å; Y75-Q111 HydrophobicContact CD1-CB 4.06Å; Y75-Q111 VanDerWaalsContact CD1-CD 3.43Å; Y75-Q111 HydrophobicContact CD1-CG 3.66Å; Y75-Q111 VanDerWaalsContact CD1-OE1 3.3Å; Y75-Q111 HydrophobicContact CD2-CB 3.71Å; Y75-Q111 HydrophobicContact CD2-CG 4.24Å; Y75-Q111 HydrophobicContact CE1-CB 4.25Å; Y75-Q111 HydrophobicContact CE1-CG 3.75Å; Y75-Q111 HydrophobicContact CE2-CB 3.91Å; Y75-Q111 HydrophobicContact CE2-CG 4.32Å; Y75-Q111 VanDerWaalsContact CE2-O 3.32Å; Y75-Q111 WeakPolarHBondContact CE2-O 3.2Å; Y75-Q111 HydrophobicContact CG-CB 3.8Å; Y75-Q111 HydrophobicContact CG-CG 3.92Å; Y75-Q111 VanDerWaalsContact CG-OE1 3.27Å; Y75-N114 HydrophobicContact CE2-CB 4.23Å; Y75-N114 PolarHBondContact OH-ND2 3.41Å; Y75-I115 HydrophobicContact CD2-CD1 3.7Å; Y75-I115 HydrophobicContact CD2-CG1 3.63Å; Y75-I115 HydrophobicContact CE2-CD1 3.85Å; Y75-I115 HydrophobicContact CE2-CG1 3.85Å; Y75-L190 HydrophobicContact CD2-CD1 4.24Å
76	M	96	Very high	95.2	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.01	22%	0.215	C	C	.	.	H	α-helix	trans	-62.4	-40.8	176	-74.7	-170	-170.4	0	0	111.8	Y33 K37 L72 S73 W78 E79 L80	Y33-M76 HydrophobicContact CD1-CE 3.57Å; Y33-M76 HydrophobicContact CD2-CE 3.25Å; Y33-M76 HydrophobicContact CE1-CE 3.47Å; Y33-M76 VanDerWaalsContact CE1-CE 3.47Å; Y33-M76 HydrophobicContact CE1-CG 4.37Å; Y33-M76 HydrophobicContact CE2-CE 3.15Å; Y33-M76 HydrophobicContact CE2-CG 4.16Å; Y33-M76 HydrophobicContact CE2-SD 4.42Å; Y33-M76 HydrophobicContact CG-CE 3.43Å; Y33-M76 VanDerWaalsContact CG-CE 3.43Å; Y33-M76 WeakPolarHBondContact O-CE 3.27Å; Y33-M76 WeakPolarHBondContact OH-CG 3.45Å; K37-M76 HydrophobicContact CB-CE 3.95Å; K37-M76 HydrophobicContact CB-SD 3.82Å; K37-M76 HydrophobicContact CG-SD 4.32Å; L72-M76 HydrophobicContact CD1-CB 3.66Å; L72-M76 HydrophobicContact CD1-CG 4.24Å; L72-M76 HydrophobicContact CD1-SD 3.4Å; L72-M76 WeakPolarHBondContact CD1-SD 3.38Å; L72-M76 HydrophobicContact CD2-CB 4.47Å; L72-M76 HydrophobicContact CG-CB 3.94Å; L72-M76 HydrophobicContact CG-SD 4.45Å; S73-M76 PolarHBondContact O-N 3.11Å; S73-M76 VanDerWaalsContact O-N 3.14Å; S73-M76 WeakPolarHBondContact OG-CB 3.19Å; S73-M76 WeakPolarHBondContact OG-CG 3.49Å; S73-M76 PolarHBondContact OG-N 2.97Å; M76-W78 VanDerWaalsContact C-N 3.28Å; M76-W78 PolarHBondContact O-N 3.41Å; M76-E79 PolarHBondContact O-N 2.9Å; M76-L80 VanDerWaalsContact O-CG 3.31Å; M76-L80 WeakPolarHBondContact O-CG 3.47Å; M76-L80 PolarHBondContact O-N 3Å
77	A	97.1	Very high	95.6	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-58.6	-43	177.8	0	0	0	0	0	111.4	V55 L72 S73 T74 Y75 L80 L81 L199	V55-A77 HydrophobicContact CB-CB 4.32Å; V55-A77 HydrophobicContact CG1-CB 3.82Å; V55-A77 HydrophobicContact CG2-CB 4.49Å; L72-A77 HydrophobicContact CD2-CB 3.91Å; S73-A77 PolarHBondContact O-N 2.99Å; T74-A77 WeakPolarHBondContact O-CB 3.39Å; T74-A77 PolarHBondContact O-N 2.92Å; Y75-A77 VanDerWaalsContact C-N 3.32Å; Y75-A77 PolarHBondContact O-N 3.42Å; A77-L80 PolarHBondContact O-N 2.94Å; A77-L81 WeakPolarHBondContact O-CG 3.24Å; A77-L81 PolarHBondContact O-N 3.05Å; A77-L199 HydrophobicContact CB-CB 4.27Å; A77-L199 HydrophobicContact CB-CD1 4.35Å; A77-L199 HydrophobicContact CB-CD2 4.25Å
78	W	98.5	Very high	96	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-68.5	-39.7	175.9	-68	0.2	0	0	0	112.6	T74 Y75 M76 L80 L81 I82 L98 I115 W171 Y179 A183 N184 M185 L190	T74-W78 HydrophobicContact CG2-CD2 4.2Å; T74-W78 HydrophobicContact CG2-CZ2 3.96Å; T74-W78 PolarHBondContact O-N 2.9Å; Y75-W78 PolarHBondContact O-N 3.35Å; M76-W78 VanDerWaalsContact C-N 3.28Å; M76-W78 PolarHBondContact O-N 3.41Å; W78-L80 VanDerWaalsContact C-N 3.31Å; W78-L80 PolarHBondContact O-N 3Å; W78-L81 PolarHBondContact O-N 2.82Å; W78-I82 VanDerWaalsContact O-CG1 3.31Å; W78-I82 WeakPolarHBondContact O-CG1 3.4Å; W78-I82 PolarHBondContact O-N 3.45Å; W78-L98 HydrophobicContact CZ3-CD2 4.37Å; W78-I115 HydrophobicContact CB-CD1 3.72Å; W78-I115 HydrophobicContact CE3-CG1 4.18Å; W78-I115 HydrophobicContact CE3-CG2 4Å; W78-W171 HydrophobicContact CB-CH2 4.4Å; W78-W171 HydrophobicContact CB-CZ2 4.45Å; W78-W171 HydrophobicContact CD2-CH2 4.45Å; W78-W171 AromaticContact CD2-CZ2 3.7Å; W78-W171 HydrophobicContact CD2-CZ2 3.7Å; W78-W171 AromaticContact CE2-CE2 3.94Å; W78-W171 AromaticContact CE2-NE1 3.59Å; W78-W171 AromaticContact CE3-CZ2 3.87Å; W78-W171 HydrophobicContact CE3-CZ2 3.87Å; W78-W171 HydrophobicContact CG-CH2 4.41Å; W78-W171 AromaticContact CG-CZ2 3.99Å; W78-W171 HydrophobicContact CG-CZ2 3.99Å; W78-W171 HydrophobicContact CZ2-CZ2 4.48Å; W78-W171 AromaticContact CZ2-NE1 3.76Å; W78-W171 HydrophobicContact CZ3-CZ2 4.31Å; W78-W171 AromaticContact NE1-NE1 3.66Å; W78-Y179 HydrophobicContact CZ2-CE1 4.09Å; W78-Y179 AromaticContact NE1-CD1 3.41Å; W78-Y179 AromaticContact NE1-CD2 3.82Å; W78-Y179 AromaticContact NE1-CE1 3.63Å; W78-Y179 AromaticContact NE1-CG 3.51Å; W78-Y179 AromaticContact NE1-CZ 3.94Å; W78-A183 HydrophobicContact CH2-CB 4.39Å; W78-A183 HydrophobicContact CZ2-CB 4.04Å; W78-N184 WeakPolarHBondContact CH2-O 3.44Å; W78-M185 HydrophobicContact CH2-SD 3.76Å; W78-M185 HydrophobicContact CZ2-SD 4.35Å; W78-M185 HydrophobicContact CZ3-SD 4Å; W78-L190 HydrophobicContact CD2-CD2 4.48Å; W78-L190 HydrophobicContact CE3-CD1 4.28Å; W78-L190 HydrophobicContact CE3-CD2 3.93Å; W78-L190 HydrophobicContact CH2-CD2 4.2Å; W78-L190 HydrophobicContact CZ3-CD1 4.19Å; W78-L190 HydrophobicContact CZ3-CD2 3.78Å; W78-L190 HydrophobicContact CZ3-CG 4.33Å
79	E	97.6	Very high	96.4	Very high	11 Å²	11	34.5 Å²	34.5	5%	0.051	17%	0.166	C	C	.	.	H	α-helix	trans	-56.9	-46.1	171.9	-71	-163.9	110.1	0	0	111.4	K37 Y75 M76 L81 I82 D83 N114 I115 K118	K37-E79 IonicContact NZ-OE1 3.36Å; K37-E79 IonicContact NZ-OE2 3.75Å; K37-E79 PolarHBondContact NZ-OE2 3.38Å; Y75-E79 HydrophobicContact CD2-CG 4.28Å; Y75-E79 HydrophobicContact CE2-CG 3.88Å; Y75-E79 PolarHBondContact O-N 2.93Å; M76-E79 PolarHBondContact O-N 2.9Å; E79-L81 VanDerWaalsContact C-N 3.34Å; E79-L81 PolarHBondContact O-N 3.5Å; E79-I82 PolarHBondContact O-N 3.48Å; E79-D83 WeakPolarHBondContact O-CB 3.29Å; E79-D83 PolarHBondContact O-N 2.91Å; E79-N114 PolarHBondContact OE1-ND2 3.46Å; E79-I115 HydrophobicContact CG-CD1 3.87Å; E79-K118 HydrophobicContact CG-CD 4.07Å; E79-K118 WeakPolarHBondContact OE1-CE 3.42Å
80	L	95.5	Very high	96.7	Very high	14 Å²	14	32.8 Å²	32.8	7%	0.073	16%	0.155	C	C	.	.	H	α-helix	trans	-59.6	-43.9	177.9	-69.7	173.4	0	0	0	111.9	I41 L44 L72 M76 A77 W78 D83 S84 L199	I41-L80 HydrophobicContact CD1-CD2 3.9Å; I41-L80 HydrophobicContact CG1-CD2 3.39Å; L44-L80 HydrophobicContact CD1-CD1 4.07Å; L72-L80 HydrophobicContact CD2-CD1 3.88Å; M76-L80 VanDerWaalsContact O-CG 3.31Å; M76-L80 WeakPolarHBondContact O-CG 3.47Å; M76-L80 PolarHBondContact O-N 3Å; A77-L80 PolarHBondContact O-N 2.94Å; W78-L80 VanDerWaalsContact C-N 3.31Å; W78-L80 PolarHBondContact O-N 3Å; L80-D83 PolarHBondContact O-N 3.31Å; L80-S84 WeakPolarHBondContact O-CB 3.4Å; L80-S84 PolarHBondContact O-N 3.45Å; L80-S84 PolarHBondContact O-OG 3.4Å; L80-L199 HydrophobicContact CD1-CD2 4.12Å
81	L	98	Very high	97.1	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-60.7	-50.1	177.7	-72.4	176.8	0	0	0	111.3	A77 W78 E79 D83 S84 A85 W171 V173 N177 L199	A77-L81 WeakPolarHBondContact O-CG 3.24Å; A77-L81 PolarHBondContact O-N 3.05Å; W78-L81 PolarHBondContact O-N 2.82Å; E79-L81 VanDerWaalsContact C-N 3.34Å; E79-L81 PolarHBondContact O-N 3.5Å; L81-D83 PolarHBondContact O-N 3.4Å; L81-S84 PolarHBondContact O-N 3.45Å; L81-S84 PolarHBondContact O-OG 3.4Å; L81-A85 PolarHBondContact O-N 2.75Å; L81-W171 HydrophobicContact CD1-CB 3.98Å; L81-W171 HydrophobicContact CD1-CD2 4.48Å; L81-W171 HydrophobicContact CD1-CE3 4.41Å; L81-W171 HydrophobicContact CD1-CG 4.35Å; L81-V173 HydrophobicContact CB-CG2 3.98Å; L81-V173 HydrophobicContact CD2-CG2 4.19Å; L81-N177 HydrophobicContact CD2-CB 3.52Å; L81-L199 HydrophobicContact CD1-CD1 4.15Å; L81-L199 HydrophobicContact CD2-CD1 3.75Å; L81-L199 HydrophobicContact CG-CD1 3.81Å
82	I	98.2	Very high	97.4	Very high	12 Å²	12	24.1 Å²	24.1	6%	0.062	12%	0.118	C	C	.	.	H	α-helix	trans	-62.6	-44.7	-179.8	-60.6	161.7	0	0	0	110.9	W78 E79 S84 A85 I89 I115 K118 L119 W171	W78-I82 VanDerWaalsContact O-CG1 3.31Å; W78-I82 WeakPolarHBondContact O-CG1 3.4Å; W78-I82 PolarHBondContact O-N 3.45Å; E79-I82 PolarHBondContact O-N 3.48Å; I82-S84 VanDerWaalsContact C-N 3.3Å; I82-S84 PolarHBondContact O-N 2.97Å; I82-A85 WeakPolarHBondContact O-CB 3.35Å; I82-A85 PolarHBondContact O-N 2.81Å; I82-I89 HydrophobicContact CG2-CD1 4.49Å; I82-I115 HydrophobicContact CD1-CD1 4.16Å; I82-I115 HydrophobicContact CD1-CG2 4.15Å; I82-K118 HydrophobicContact CD1-CB 3.97Å; I82-K118 HydrophobicContact CG2-CB 4.03Å; I82-L119 HydrophobicContact CD1-CD2 4.02Å; I82-L119 HydrophobicContact CD1-CG 3.9Å; I82-L119 HydrophobicContact CG1-CD2 3.93Å; I82-L119 HydrophobicContact CG1-CG 4.38Å; I82-W171 HydrophobicContact CD1-CH2 4.1Å; I82-W171 HydrophobicContact CD1-CZ3 4.09Å; I82-W171 HydrophobicContact CG1-CH2 4.26Å; I82-W171 HydrophobicContact CG1-CZ3 3.73Å
83	D	95.9	Very high	97.6	Very high	76 Å²	76	24.1 Å²	24.1	41%	0.406	12%	0.118	S	C	.	.	H	α-helix	trans	-68.5	-31.2	-177.9	-68.1	-16	0	0	0	111.8	E79 L80 L81 A85 K118	E79-D83 WeakPolarHBondContact O-CB 3.29Å; E79-D83 PolarHBondContact O-N 2.91Å; L80-D83 PolarHBondContact O-N 3.31Å; L81-D83 PolarHBondContact O-N 3.4Å; D83-A85 VanDerWaalsContact C-N 3.34Å; D83-K118 VanDerWaalsContact CG-NZ 3.29Å; D83-K118 IonicContact OD1-NZ 2.74Å; D83-K118 PolarHBondContact OD1-NZ 3.31Å; D83-K118 IonicContact OD2-NZ 3.59Å; D83-K118 PolarHBondContact OD2-NZ 2.94Å
84	S	94.8	Very high	97.7	Very high	15 Å²	15	25.3 Å²	25.3	11%	0.105	12%	0.12	C	C	.	.	H	α-helix	trans	-70.3	-27.2	177.3	77.7	0	0	0	0	113.6	L80 L81 I82 K86 N177	L80-S84 WeakPolarHBondContact O-CB 3.4Å; L80-S84 PolarHBondContact O-N 3.45Å; L80-S84 PolarHBondContact O-OG 3.4Å; L81-S84 PolarHBondContact O-N 3.45Å; L81-S84 PolarHBondContact O-OG 3.4Å; I82-S84 VanDerWaalsContact C-N 3.3Å; I82-S84 PolarHBondContact O-N 2.97Å; S84-K86 WeakPolarHBondContact O-CE 3.37Å; S84-K86 PolarHBondContact O-N 2.85Å; S84-N177 PolarHBondContact OG-ND2 3.37Å
85	A	97.9	Very high	97.6	Very high	2 Å²	2	28.6 Å²	28.6	2%	0.017	13%	0.132	C	C	.	.			trans	-59.4	133.3	-171	0	0	0	0	0	113.4	L81 I82 D83 I89 K123 V126 V173	L81-A85 PolarHBondContact O-N 2.75Å; I82-A85 WeakPolarHBondContact O-CB 3.35Å; I82-A85 PolarHBondContact O-N 2.81Å; D83-A85 VanDerWaalsContact C-N 3.34Å; A85-I89 HydrophobicContact CB-CD1 3.79Å; A85-I89 HydrophobicContact CB-CG1 3.7Å; A85-K123 PolarHBondContact O-NZ 3.42Å; A85-K123 VanDerWaalsContact O-NZ 3.08Å; A85-V126 HydrophobicContact CB-CG1 3.85Å; A85-V126 HydrophobicContact CB-CG2 4.24Å; A85-V173 HydrophobicContact CB-CG1 3.56Å
86	K	97.3	Very high	97.6	Very high	121 Å²	121	28 Å²	28	53%	0.526	13%	0.13	S	C	.	.	S	Bend	trans	-118.1	-31.6	177.9	-53.3	-56.1	-179	-168.9	0	113.2	S84 N125 D174	S84-K86 WeakPolarHBondContact O-CE 3.37Å; S84-K86 PolarHBondContact O-N 2.85Å; K86-N125 PolarHBondContact O-ND2 3.38Å; K86-D174 WeakPolarHBondContact CB-OD2 3.35Å; K86-D174 PolarHBondContact N-OD2 3.32Å
87	K	98.2	Very high	97.6	Very high	152 Å²	152	29.8 Å²	29.8	66%	0.661	14%	0.142	S	C	*	.	S	Bend	trans	-133.3	-45.6	-175.1	-60.2	-179.1	179.7	179.6	0	113.7	V126 D127 D174	K87-V126 CarbonylContact O-C 3.52Å; K87-V126 WeakPolarHBondContact O-CA 3.42Å; K87-D127 PolarHBondContact O-N 3.36Å; K87-D174 WeakPolarHBondContact CA-OD1 3.17Å; K87-D174 WeakPolarHBondContact CB-OD1 3.5Å; K87-D174 PolarHBondContact N-OD1 3.47Å
88	N	98.2	Very high	97.5	Very high	42 Å²	42	29.8 Å²	29.8	23%	0.225	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	147.7	-174.3	62.8	77.7	0	0	0	113.4	D127 V173 D174	N88-D127 CarbonylContact C-O 3.54Å; N88-D127 WeakPolarHBondContact CA-O 3.4Å; N88-V173 WeakPolarHBondContact O-CA 3.43Å; N88-D174 PolarHBondContact N-OD1 3.35Å; N88-D174 PolarHBondContact O-N 2.97Å; N88-D174 VanDerWaalsContact O-N 3.08Å; N88-D174 WeakPolarHBondContact OD1-CA 3.45Å; N88-D174 PolarHBondContact OD1-N 2.92Å
89	I	98.9	Very high	97.1	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.005	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	115.6	166	-59.1	174.5	0	0	0	106.7	I82 A85 I91 L119 V126 D127 L128 K129 W171 S172 V173	I82-I89 HydrophobicContact CG2-CD1 4.49Å; A85-I89 HydrophobicContact CB-CD1 3.79Å; A85-I89 HydrophobicContact CB-CG1 3.7Å; I89-I91 HydrophobicContact CG2-CD1 4.01Å; I89-I91 HydrophobicContact CG2-CG1 3.98Å; I89-L119 HydrophobicContact CD1-CD2 4.34Å; I89-V126 HydrophobicContact CD1-CG1 3.9Å; I89-V126 HydrophobicContact CG1-CG1 3.77Å; I89-D127 PolarHBondContact N-O 3.08Å; I89-L128 HydrophobicContact CB-CD1 3.85Å; I89-L128 HydrophobicContact CG2-CD1 3.67Å; I89-L128 WeakPolarHBondContact O-CA 3.36Å; I89-K129 PolarHBondContact O-N 2.82Å; I89-W171 HydrophobicContact CG2-CE3 4.22Å; I89-W171 HydrophobicContact CG2-CZ3 4.43Å; I89-S172 CarbonylContact C-O 3.58Å; I89-S172 WeakPolarHBondContact CA-O 3.5Å; I89-V173 HydrophobicContact CG1-CG1 4.45Å; I89-V173 HydrophobicContact CG1-CG2 4.18Å; I89-V173 HydrophobicContact CG2-CG2 4.38Å
90	S	98.9	Very high	95.9	Very high	4 Å²	4	33.9 Å²	33.9	3%	0.028	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	122.5	176.7	-74	0	0	0	0	108.9	K129 W171 S172 E211 W214	S90-K129 WeakPolarHBondContact CA-O 3.29Å; S90-W171 CarbonylContact O-C 3.51Å; S90-W171 WeakPolarHBondContact O-CA 3.48Å; S90-S172 PolarHBondContact N-O 3.45Å; S90-S172 PolarHBondContact O-N 2.53Å; S90-E211 PolarHBondContact OG-OE1 2.91Å; S90-E211 VanDerWaalsContact OG-OE1 3.07Å; S90-W214 VanDerWaalsContact CB-CE2 3.48Å
91	I	98.9	Very high	94.7	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	135.3	-178.2	-68.7	174.5	0	0	0	110.3	I89 W96 L119 L128 K129 I130 A131 L170 W171 M185 W214	I89-I91 HydrophobicContact CG2-CD1 4.01Å; I89-I91 HydrophobicContact CG2-CG1 3.98Å; I91-W96 HydrophobicContact CD1-CH2 4.1Å; I91-W96 HydrophobicContact CD1-CZ2 4.34Å; I91-W96 HydrophobicContact CG2-CZ2 4.07Å; I91-L119 HydrophobicContact CD1-CD2 4.46Å; I91-L128 HydrophobicContact CD1-CD1 4.01Å; I91-K129 PolarHBondContact N-O 2.99Å; I91-I130 HydrophobicContact CB-CG1 4.34Å; I91-I130 HydrophobicContact CG2-CG2 4.42Å; I91-I130 CarbonylContact O-C 3.59Å; I91-I130 WeakPolarHBondContact O-CA 3.49Å; I91-A131 PolarHBondContact O-N 3.23Å; I91-L170 CarbonylContact C-O 3.51Å; I91-L170 WeakPolarHBondContact CA-O 3.26Å; I91-W171 HydrophobicContact CD1-CD2 3.95Å; I91-W171 HydrophobicContact CD1-CE3 3.84Å; I91-W171 HydrophobicContact CD1-CH2 3.92Å; I91-W171 HydrophobicContact CD1-CZ2 4.02Å; I91-W171 HydrophobicContact CD1-CZ3 3.83Å; I91-W171 HydrophobicContact CG1-CD2 3.93Å; I91-W171 HydrophobicContact CG1-CE3 4.07Å; I91-W171 HydrophobicContact CG1-CG 4.21Å; I91-M185 HydrophobicContact CB-CE 4.45Å; I91-M185 HydrophobicContact CD1-CE 4.19Å; I91-M185 HydrophobicContact CG1-CE 4.44Å; I91-M185 HydrophobicContact CG2-CE 3.23Å; I91-W214 PolarHBondContact O-NE1 2.92Å
92	A	98.8	Very high	93.3	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	128	162.1	0	0	0	0	0	109.4	A131 L166 T168 K169 L170 Y217	A92-A131 WeakPolarHBondContact CA-O 3.34Å; A92-A131 HydrophobicContact CB-CB 4.36Å; A92-L166 HydrophobicContact CB-CD2 4.42Å; A92-T168 HydrophobicContact CB-CG2 4.09Å; A92-K169 WeakPolarHBondContact O-CA 3.2Å; A92-L170 HydrophobicContact CB-CB 4.31Å; A92-L170 PolarHBondContact N-O 2.94Å; A92-L170 PolarHBondContact O-N 3.24Å; A92-Y217 HydrophobicContact CB-CD2 3.78Å; A92-Y217 HydrophobicContact CB-CE2 4.18Å
93	S	98.5	Very high	92	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.007	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	147	-169.3	52.2	0	0	0	0	113.5	W96 A131 Q132 N133 T168	S93-W96 PolarHBondContact OG-NE1 3.17Å; S93-A131 PolarHBondContact N-O 3.01Å; S93-Q132 PolarHBondContact O-OE1 3.46Å; S93-Q132 PolarHBondContact OG-OE1 2.93Å; S93-N133 PolarHBondContact O-N 3.44Å; S93-T168 WeakPolarHBondContact CA-O 3.5Å
94	F	98	Very high	90.8	Very high	52 Å²	52	49.9 Å²	49.9	23%	0.228	24%	0.24	C	C	.	.	S	Bend	trans	-80.6	-47.7	174.8	178.1	-145.4	0	0	0	112.6	Q132 N133 I165 L166 H167	F94-Q132 PolarHBondContact O-NE2 3.16Å; F94-N133 HydrophobicContact CD2-CB 3.91Å; F94-N133 WeakPolarHBondContact CE2-ND2 3.4Å; F94-N133 VanDerWaalsContact O-CB 3.25Å; F94-N133 WeakPolarHBondContact O-CB 2.87Å; F94-I165 HydrophobicContact CD2-CD1 3.93Å; F94-I165 HydrophobicContact CE1-CD1 4.18Å; F94-I165 HydrophobicContact CE2-CB 4.17Å; F94-I165 HydrophobicContact CE2-CD1 3.35Å; F94-I165 HydrophobicContact CE2-CG1 4.3Å; F94-I165 HydrophobicContact CE2-CG2 4.29Å; F94-I165 HydrophobicContact CZ-CD1 3.51Å; F94-L166 WeakPolarHBondContact CA-O 3.33Å; F94-L166 WeakPolarHBondContact CB-O 3.32Å; F94-L166 VanDerWaalsContact CD2-O 3.26Å; F94-L166 WeakPolarHBondContact CD2-O 3.27Å; F94-H167 AromaticContact CD1-CD2 3.63Å
95	Y	97.5	Very high	89.4	Confident	68 Å²	68	53 Å²	53	27%	0.267	26%	0.256	S	S	.	.			trans	-158.5	171.1	174.5	65	-91.5	0	0	0	109.7	N184 M185 D186	Y95-N184 HydrophobicContact CE1-CB 3.98Å; Y95-N184 HydrophobicContact CE2-CB 4.37Å; Y95-M185 WeakPolarHBondContact O-CB 3.2Å; Y95-D186 HydrophobicContact CE2-CB 3.89Å; Y95-D186 WeakPolarHBondContact CE2-OD2 3.44Å; Y95-D186 PolarHBondContact OH-OD2 2.83Å
96	W	97.5	Very high	88.1	Confident	16 Å²	16	59.9 Å²	59.9	6%	0.061	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	127.7	178.5	-69.3	69.7	0	0	0	111.2	I91 S93 L98 L119 I130 D141 L142 L145 M185	I91-W96 HydrophobicContact CD1-CH2 4.1Å; I91-W96 HydrophobicContact CD1-CZ2 4.34Å; I91-W96 HydrophobicContact CG2-CZ2 4.07Å; S93-W96 PolarHBondContact OG-NE1 3.17Å; W96-L98 HydrophobicContact CE3-CD1 3.77Å; W96-L98 HydrophobicContact CE3-CG 4.41Å; W96-L98 HydrophobicContact CZ3-CD1 3.67Å; W96-L119 HydrophobicContact CH2-CD1 3.74Å; W96-L119 HydrophobicContact CZ3-CD1 3.74Å; W96-I130 HydrophobicContact CH2-CD1 4.12Å; W96-I130 HydrophobicContact CZ2-CD1 3.69Å; W96-I130 HydrophobicContact CZ2-CG1 4.25Å; W96-I130 HydrophobicContact CZ2-CG2 4.07Å; W96-D141 HydrophobicContact CB-CB 3.86Å; W96-D141 HydrophobicContact CE3-CB 4.42Å; W96-L142 HydrophobicContact CB-CD2 4.32Å; W96-L142 HydrophobicContact CB-CG 4.18Å; W96-L142 VanDerWaalsContact CD1-CD2 3.45Å; W96-L142 HydrophobicContact CD2-CD2 3.87Å; W96-L142 HydrophobicContact CG-CD2 3.63Å; W96-L142 HydrophobicContact CG-CG 4.02Å; W96-L145 HydrophobicContact CD2-CD1 4.24Å; W96-L145 HydrophobicContact CE3-CD1 3.72Å; W96-L145 HydrophobicContact CH2-CD1 3.73Å; W96-L145 HydrophobicContact CZ2-CD1 4.23Å; W96-L145 HydrophobicContact CZ3-CD1 3.45Å; W96-L145 VanDerWaalsContact CZ3-CD1 3.45Å; W96-M185 CarbonylContact C-O 3.52Å; W96-M185 WeakPolarHBondContact CA-O 3.37Å; W96-M185 HydrophobicContact CB-CB 4.49Å; W96-M185 HydrophobicContact CD2-CB 3.69Å; W96-M185 HydrophobicContact CD2-CG 3.89Å; W96-M185 HydrophobicContact CE3-CB 3.84Å; W96-M185 HydrophobicContact CE3-CG 4.18Å; W96-M185 HydrophobicContact CG-CB 3.99Å; W96-M185 HydrophobicContact CG-CG 4.42Å; W96-M185 HydrophobicContact CH2-CG 4.15Å; W96-M185 HydrophobicContact CH2-SD 4.16Å; W96-M185 HydrophobicContact CZ2-CE 4.32Å; W96-M185 HydrophobicContact CZ2-CG 3.86Å; W96-M185 HydrophobicContact CZ2-SD 4.32Å; W96-M185 HydrophobicContact CZ3-CB 4.32Å; W96-M185 HydrophobicContact CZ3-CG 4.29Å; W96-M185 HydrophobicContact CZ3-SD 4.42Å
97	S	95.2	Very high	87.3	Confident	38 Å²	38	57.7 Å²	57.7	27%	0.266	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	46.5	177.9	-171.7	0	0	0	0	110.1	D141 M185 W187 R188	S97-D141 PolarHBondContact N-OD2 3.13Å; S97-M185 PolarHBondContact N-O 2.86Å; S97-W187 PolarHBondContact O-N 2.99Å; S97-R188 PolarHBondContact OG-NH2 2.98Å
98	L	95.8	Very high	86.6	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.252	C	S	.	.			trans	-80.4	-29	177.3	-68.9	177	0	0	0	113	W78 W96 G112 S113 I115 L116 D141 M185	W78-L98 HydrophobicContact CZ3-CD2 4.37Å; W96-L98 HydrophobicContact CE3-CD1 3.77Å; W96-L98 HydrophobicContact CE3-CG 4.41Å; W96-L98 HydrophobicContact CZ3-CD1 3.67Å; L98-G112 CarbonylContact O-C 3.52Å; L98-S113 PolarHBondContact O-N 3.16Å; L98-S113 VanDerWaalsContact O-N 3.12Å; L98-S113 PolarHBondContact O-OG 3.47Å; L98-I115 HydrophobicContact CD1-CB 4.46Å; L98-I115 HydrophobicContact CD1-CG2 3.96Å; L98-L116 HydrophobicContact CB-CB 4.03Å; L98-L116 HydrophobicContact CD1-CB 4.21Å; L98-D141 WeakPolarHBondContact CA-OD2 3.18Å; L98-D141 WeakPolarHBondContact CB-OD2 3.3Å; L98-D141 PolarHBondContact N-OD2 3.32Å; L98-M185 HydrophobicContact CD1-CB 4.37Å; L98-M185 HydrophobicContact CG-CB 4.26Å
99	S	89.1	Confident	86.2	Confident	35 Å²	35	48.7 Å²	48.7	25%	0.245	24%	0.242	C	C	.	.	S	Bend	trans	-63.2	154.4	178	-68.8	0	0	0	0	113	D101 L116 D141	S99-D101 PolarHBondContact O-N 2.85Å; S99-L116 WeakPolarHBondContact OG-CD2 3.24Å; S99-D141 WeakPolarHBondContact CB-OD1 3.33Å; S99-D141 PolarHBondContact N-OD1 2.71Å; S99-D141 PolarHBondContact N-OD2 2.89Å; S99-D141 PolarHBondContact OG-OD1 2.98Å
100	V	73.6	Confident	85.8	Confident	62 Å²	62	54.2 Å²	54.2	38%	0.376	27%	0.268	S	S	.	.			trans	-56.1	124.6	177.6	-175.5	0	0	0	0	111.4	K102 S113	V100-K102 PolarHBondContact O-N 2.82Å; V100-S113 WeakPolarHBondContact CG2-OG 3.21Å; V100-S113 PolarHBondContact N-OG 2.78Å
101	D	69.1	Low	85.7	Confident	61 Å²	61	56.3 Å²	56.3	33%	0.326	28%	0.277	S	S	.	.			trans	-75.5	111.6	158.5	-172.8	-21.8	0	0	0	108.2	S99 E103 L104	S99-D101 PolarHBondContact O-N 2.85Å; D101-E103 PolarHBondContact O-N 2.91Å; D101-E103 VanDerWaalsContact O-N 3.09Å; D101-E103 PolarHBondContact OD1-N 2.9Å; D101-L104 HydrophobicContact CB-CB 4.25Å; D101-L104 HydrophobicContact CB-CD1 4.1Å; D101-L104 HydrophobicContact CB-CG 4.33Å; D101-L104 PolarHBondContact O-N 3.31Å; D101-L104 VanDerWaalsContact O-N 3.16Å; D101-L104 WeakPolarHBondContact OD2-CD1 3.49Å
102	K	69.6	Low	85.5	Confident	192 Å²	192	56.3 Å²	56.3	84%	0.835	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-19.4	-175.6	-68.7	-178.2	-179.5	176.6	0	113	V100	V100-K102 PolarHBondContact O-N 2.82Å
103	E	70.6	Confident	85.3	Confident	167 Å²	167	57.8 Å²	57.8	78%	0.78	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-6.9	-177.4	-59.9	-169.4	172.4	0	0	113.5	D101	D101-E103 PolarHBondContact O-N 2.91Å; D101-E103 VanDerWaalsContact O-N 3.09Å; D101-E103 PolarHBondContact OD1-N 2.9Å
104	L	69.8	Low	85.2	Confident	18 Å²	18	60 Å²	60	9%	0.094	30%	0.299	C	S	.	.	S	Bend	trans	-116.2	160.9	-174.2	-65.4	176.2	0	0	0	113	D101 F106 W187 R377 I378	D101-L104 HydrophobicContact CB-CB 4.25Å; D101-L104 HydrophobicContact CB-CD1 4.1Å; D101-L104 HydrophobicContact CB-CG 4.33Å; D101-L104 PolarHBondContact O-N 3.31Å; D101-L104 VanDerWaalsContact O-N 3.16Å; D101-L104 WeakPolarHBondContact OD2-CD1 3.49Å; L104-F106 PolarHBondContact O-N 2.91Å; L104-W187 HydrophobicContact CD1-CH2 4.24Å; L104-W187 HydrophobicContact CD1-CZ2 3.9Å; L104-R377 HydrophobicContact CD2-CB 4.49Å; L104-I378 HydrophobicContact CD1-CG1 4.34Å; L104-I378 HydrophobicContact CD1-CG2 4.31Å; L104-I378 HydrophobicContact CD2-CG1 4.41Å
105	N	65.7	Low	85.2	Confident	81 Å²	81	57.5 Å²	57.5	43%	0.433	29%	0.288	S	S	.	.			trans	-47.7	122.5	-176	-176.4	7.2	0	0	0	112.3	T107 A108	N105-T107 VanDerWaalsContact C-N 3.32Å; N105-T107 PolarHBondContact ND2-OG1 3.49Å; N105-T107 PolarHBondContact O-N 3.09Å; N105-A108 PolarHBondContact O-N 3.3Å
106	F	70.5	Confident	85.2	Confident	147 Å²	147	54.7 Å²	54.7	65%	0.645	28%	0.278	S	S	*	.	H	α-helix	trans	-55	-43.5	-174.1	-71.3	-79.3	0	0	0	112.8	L104 A108 T109	L104-F106 PolarHBondContact O-N 2.91Å; F106-A108 PolarHBondContact O-N 2.89Å; F106-T109 PolarHBondContact O-N 2.76Å; F106-T109 PolarHBondContact O-OG1 2.87Å
107	T	81	Confident	85.2	Confident	75 Å²	75	61.5 Å²	61.5	46%	0.46	31%	0.308	S	S	.	.	H	α-helix	trans	-67.8	-34.1	-172.5	62.5	0	0	0	0	113.5	N105 T109 E110	N105-T107 VanDerWaalsContact C-N 3.32Å; N105-T107 PolarHBondContact ND2-OG1 3.49Å; N105-T107 PolarHBondContact O-N 3.09Å; T107-T109 PolarHBondContact O-N 3.29Å; T107-E110 PolarHBondContact O-N 2.8Å
108	A	83.7	Confident	85.3	Confident	2 Å²	2	62 Å²	62	2%	0.017	31%	0.306	C	S	.	.	H	α-helix	trans	-68.6	-24.6	-177.1	0	0	0	0	0	112.7	N105 F106 W187 T191	N105-A108 PolarHBondContact O-N 3.3Å; F106-A108 PolarHBondContact O-N 2.89Å; A108-W187 HydrophobicContact CB-CZ3 3.91Å; A108-T191 WeakPolarHBondContact O-CG2 3.39Å; A108-T191 PolarHBondContact O-OG1 2.91Å
109	T	89	Confident	85.5	Confident	2 Å²	2	62 Å²	62	1%	0.012	31%	0.306	C	S	.	.	H	α-helix	trans	-91.7	-13.2	-177.8	69.6	0	0	0	0	113.7	F106 T107 Q111 G112 S113 W187	F106-T109 PolarHBondContact O-N 2.76Å; F106-T109 PolarHBondContact O-OG1 2.87Å; T107-T109 PolarHBondContact O-N 3.29Å; T109-Q111 VanDerWaalsContact C-N 3.34Å; T109-Q111 PolarHBondContact O-N 3.47Å; T109-G112 PolarHBondContact O-N 3.22Å; T109-S113 PolarHBondContact O-N 2.81Å; T109-S113 PolarHBondContact O-OG 3.39Å; T109-W187 HydrophobicContact CG2-CD2 3.88Å; T109-W187 HydrophobicContact CG2-CE3 4.11Å; T109-W187 HydrophobicContact CG2-CG 4.31Å; T109-W187 HydrophobicContact CG2-CH2 4.32Å; T109-W187 HydrophobicContact CG2-CZ2 4.13Å; T109-W187 HydrophobicContact CG2-CZ3 4.32Å
110	E	91.9	Very high	85.9	Confident	117 Å²	117	63 Å²	63	55%	0.547	31%	0.31	S	S	.	.	H	α-helix	trans	-59.5	-41.3	-171.4	-75.3	177.2	-174.9	0	0	112.8	T107 G112 S113 N114	T107-E110 PolarHBondContact O-N 2.8Å; E110-G112 PolarHBondContact O-N 3.14Å; E110-S113 PolarHBondContact O-N 3.33Å; E110-N114 VanDerWaalsContact O-CB 3.32Å; E110-N114 WeakPolarHBondContact O-CB 3.44Å; E110-N114 PolarHBondContact O-N 2.96Å
111	Q	95.1	Very high	87	Confident	48 Å²	48	63 Å²	63	22%	0.224	32%	0.322	C	S	.	.	H	α-helix	trans	-62.1	-45.6	-179.5	-65.1	-169.8	18.5	0	0	111.4	Y75 T109 N114 I115 L190 T191	Y75-Q111 HydrophobicContact CD1-CB 4.06Å; Y75-Q111 VanDerWaalsContact CD1-CD 3.43Å; Y75-Q111 HydrophobicContact CD1-CG 3.66Å; Y75-Q111 VanDerWaalsContact CD1-OE1 3.3Å; Y75-Q111 HydrophobicContact CD2-CB 3.71Å; Y75-Q111 HydrophobicContact CD2-CG 4.24Å; Y75-Q111 HydrophobicContact CE1-CB 4.25Å; Y75-Q111 HydrophobicContact CE1-CG 3.75Å; Y75-Q111 HydrophobicContact CE2-CB 3.91Å; Y75-Q111 HydrophobicContact CE2-CG 4.32Å; Y75-Q111 VanDerWaalsContact CE2-O 3.32Å; Y75-Q111 WeakPolarHBondContact CE2-O 3.2Å; Y75-Q111 HydrophobicContact CG-CB 3.8Å; Y75-Q111 HydrophobicContact CG-CG 3.92Å; Y75-Q111 VanDerWaalsContact CG-OE1 3.27Å; T109-Q111 VanDerWaalsContact C-N 3.34Å; T109-Q111 PolarHBondContact O-N 3.47Å; Q111-N114 PolarHBondContact O-N 3.26Å; Q111-I115 WeakPolarHBondContact O-CG1 3.14Å; Q111-I115 PolarHBondContact O-N 2.96Å; Q111-I115 VanDerWaalsContact O-N 3.08Å; Q111-L190 HydrophobicContact CB-CB 4.18Å; Q111-L190 HydrophobicContact CB-CD1 4.14Å; Q111-L190 PolarHBondContact OE1-O 3.16Å; Q111-T191 HydrophobicContact CB-CG2 4.05Å; Q111-T191 VanDerWaalsContact CD-CG2 3.49Å; Q111-T191 HydrophobicContact CG-CG2 3.87Å
112	G	95.7	Very high	88.4	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-63.7	-47	177.1	0	0	0	0	0	112	L98 T109 E110 N114 I115 L116	L98-G112 CarbonylContact O-C 3.52Å; T109-G112 PolarHBondContact O-N 3.22Å; E110-G112 PolarHBondContact O-N 3.14Å; G112-N114 VanDerWaalsContact C-N 3.29Å; G112-N114 PolarHBondContact O-N 2.87Å; G112-I115 PolarHBondContact O-N 3.24Å; G112-I115 VanDerWaalsContact O-N 3.14Å; G112-L116 PolarHBondContact O-N 3.48Å
113	S	94.4	Very high	89.6	Confident	32 Å²	32	57 Å²	57	22%	0.224	29%	0.293	C	S	.	.	H	α-helix	trans	-63.3	-35.4	179.1	-68.7	0	0	0	0	112.5	L98 V100 T109 E110 L116 K117	L98-S113 PolarHBondContact O-N 3.16Å; L98-S113 VanDerWaalsContact O-N 3.12Å; L98-S113 PolarHBondContact O-OG 3.47Å; V100-S113 WeakPolarHBondContact CG2-OG 3.21Å; V100-S113 PolarHBondContact N-OG 2.78Å; T109-S113 PolarHBondContact O-N 2.81Å; T109-S113 PolarHBondContact O-OG 3.39Å; E110-S113 PolarHBondContact O-N 3.33Å; S113-L116 PolarHBondContact O-N 2.76Å; S113-K117 VanDerWaalsContact O-CB 3.31Å; S113-K117 WeakPolarHBondContact O-CB 3.33Å; S113-K117 PolarHBondContact O-N 2.68Å
114	N	95.8	Very high	90.6	Very high	46 Å²	46	59.4 Å²	59.4	25%	0.246	30%	0.301	C	S	.	.	H	α-helix	trans	-66.9	-41.4	174.1	-176.9	50.8	0	0	0	112.1	Y75 E79 E110 Q111 G112 K117 K118	Y75-N114 HydrophobicContact CE2-CB 4.23Å; Y75-N114 PolarHBondContact OH-ND2 3.41Å; E79-N114 PolarHBondContact OE1-ND2 3.46Å; E110-N114 VanDerWaalsContact O-CB 3.32Å; E110-N114 WeakPolarHBondContact O-CB 3.44Å; E110-N114 PolarHBondContact O-N 2.96Å; Q111-N114 PolarHBondContact O-N 3.26Å; G112-N114 VanDerWaalsContact C-N 3.29Å; G112-N114 PolarHBondContact O-N 2.87Å; N114-K117 PolarHBondContact O-N 2.74Å; N114-K118 WeakPolarHBondContact O-CB 3.01Å; N114-K118 WeakPolarHBondContact O-CG 2.95Å; N114-K118 PolarHBondContact O-N 2.74Å
115	I	98.1	Very high	91.8	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-60.5	-47.4	174.2	-67.4	-60.3	0	0	0	110.9	Y75 W78 E79 I82 L98 Q111 G112 K117 K118 L119 W171 L190	Y75-I115 HydrophobicContact CD2-CD1 3.7Å; Y75-I115 HydrophobicContact CD2-CG1 3.63Å; Y75-I115 HydrophobicContact CE2-CD1 3.85Å; Y75-I115 HydrophobicContact CE2-CG1 3.85Å; W78-I115 HydrophobicContact CB-CD1 3.72Å; W78-I115 HydrophobicContact CE3-CG1 4.18Å; W78-I115 HydrophobicContact CE3-CG2 4Å; E79-I115 HydrophobicContact CG-CD1 3.87Å; I82-I115 HydrophobicContact CD1-CD1 4.16Å; I82-I115 HydrophobicContact CD1-CG2 4.15Å; L98-I115 HydrophobicContact CD1-CB 4.46Å; L98-I115 HydrophobicContact CD1-CG2 3.96Å; Q111-I115 WeakPolarHBondContact O-CG1 3.14Å; Q111-I115 PolarHBondContact O-N 2.96Å; Q111-I115 VanDerWaalsContact O-N 3.08Å; G112-I115 PolarHBondContact O-N 3.24Å; G112-I115 VanDerWaalsContact O-N 3.14Å; I115-K117 VanDerWaalsContact C-N 3.34Å; I115-K117 PolarHBondContact O-N 3.19Å; I115-K118 PolarHBondContact O-N 3Å; I115-L119 HydrophobicContact CG2-CD1 4.17Å; I115-L119 WeakPolarHBondContact O-CG 3.46Å; I115-L119 PolarHBondContact O-N 3.36Å; I115-W171 HydrophobicContact CG2-CH2 4.2Å; I115-L190 HydrophobicContact CG1-CD1 4.13Å
116	L	97.9	Very high	93.4	Very high	9 Å²	9	60 Å²	60	5%	0.047	30%	0.304	C	S	.	.	H	α-helix	trans	-59.9	-45.3	177.3	-178	62.3	0	0	0	111.2	L98 S99 G112 S113 K118 L119 V120 D141 L145	L98-L116 HydrophobicContact CB-CB 4.03Å; L98-L116 HydrophobicContact CD1-CB 4.21Å; S99-L116 WeakPolarHBondContact OG-CD2 3.24Å; G112-L116 PolarHBondContact O-N 3.48Å; S113-L116 PolarHBondContact O-N 2.76Å; L116-K118 PolarHBondContact O-N 2.95Å; L116-L119 PolarHBondContact O-N 3.02Å; L116-V120 HydrophobicContact CD1-CG2 4.31Å; L116-V120 HydrophobicContact CG-CG2 4.47Å; L116-V120 WeakPolarHBondContact O-CB 3.24Å; L116-V120 WeakPolarHBondContact O-CG2 3.44Å; L116-V120 PolarHBondContact O-N 3.19Å; L116-D141 HydrophobicContact CD1-CB 4.23Å; L116-D141 HydrophobicContact CD2-CB 4.26Å; L116-L145 HydrophobicContact CD1-CD1 4.06Å; L116-L145 HydrophobicContact CD1-CD2 4.04Å; L116-L145 HydrophobicContact CD1-CG 3.91Å
117	K	97.4	Very high	94.7	Very high	160 Å²	160	57 Å²	57	70%	0.696	30%	0.295	S	S	*	.	H	α-helix	trans	-60.6	-41.9	176.6	-176.4	179.2	178.7	-179.8	0	112.3	S113 N114 I115 G121	S113-K117 VanDerWaalsContact O-CB 3.31Å; S113-K117 WeakPolarHBondContact O-CB 3.33Å; S113-K117 PolarHBondContact O-N 2.68Å; N114-K117 PolarHBondContact O-N 2.74Å; I115-K117 VanDerWaalsContact C-N 3.34Å; I115-K117 PolarHBondContact O-N 3.19Å; K117-G121 WeakPolarHBondContact O-CA 3.44Å; K117-G121 PolarHBondContact O-N 3.01Å
118	K	98.1	Very high	95.6	Very high	49 Å²	49	53.6 Å²	53.6	21%	0.213	27%	0.273	C	S	.	.	H	α-helix	trans	-65.1	-39.5	176	-82.7	-179.6	165.5	-75	0	112.1	E79 I82 D83 N114 I115 L116 G121 R122	E79-K118 HydrophobicContact CG-CD 4.07Å; E79-K118 WeakPolarHBondContact OE1-CE 3.42Å; I82-K118 HydrophobicContact CD1-CB 3.97Å; I82-K118 HydrophobicContact CG2-CB 4.03Å; D83-K118 VanDerWaalsContact CG-NZ 3.29Å; D83-K118 IonicContact OD1-NZ 2.74Å; D83-K118 PolarHBondContact OD1-NZ 3.31Å; D83-K118 IonicContact OD2-NZ 3.59Å; D83-K118 PolarHBondContact OD2-NZ 2.94Å; N114-K118 WeakPolarHBondContact O-CB 3.01Å; N114-K118 WeakPolarHBondContact O-CG 2.95Å; N114-K118 PolarHBondContact O-N 2.74Å; I115-K118 PolarHBondContact O-N 3Å; L116-K118 PolarHBondContact O-N 2.95Å; K118-G121 CarbonylContact O-C 3.6Å; K118-R122 WeakPolarHBondContact O-CA 3.47Å; K118-R122 PolarHBondContact O-N 3.34Å
119	L	98.6	Very high	96.3	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-65.4	-51.6	174.4	-74.2	170.6	0	0	0	110.9	I82 I89 I91 W96 I115 L116 G121 R122 L128 L145 W171	I82-L119 HydrophobicContact CD1-CD2 4.02Å; I82-L119 HydrophobicContact CD1-CG 3.9Å; I82-L119 HydrophobicContact CG1-CD2 3.93Å; I82-L119 HydrophobicContact CG1-CG 4.38Å; I89-L119 HydrophobicContact CD1-CD2 4.34Å; I91-L119 HydrophobicContact CD1-CD2 4.46Å; W96-L119 HydrophobicContact CH2-CD1 3.74Å; W96-L119 HydrophobicContact CZ3-CD1 3.74Å; I115-L119 HydrophobicContact CG2-CD1 4.17Å; I115-L119 WeakPolarHBondContact O-CG 3.46Å; I115-L119 PolarHBondContact O-N 3.36Å; L116-L119 PolarHBondContact O-N 3.02Å; L119-G121 VanDerWaalsContact C-N 3.29Å; L119-G121 PolarHBondContact O-N 2.97Å; L119-R122 VanDerWaalsContact O-CB 3.28Å; L119-R122 WeakPolarHBondContact O-CB 3.4Å; L119-R122 WeakPolarHBondContact O-CD 3.18Å; L119-R122 WeakPolarHBondContact O-CG 3.09Å; L119-R122 PolarHBondContact O-N 3.22Å; L119-R122 PolarHBondContact O-NH1 3.4Å; L119-L128 HydrophobicContact CB-CD2 4.36Å; L119-L128 HydrophobicContact CD2-CD1 4.33Å; L119-L128 HydrophobicContact CD2-CD2 4.19Å; L119-L145 HydrophobicContact CB-CD2 3.72Å; L119-W171 HydrophobicContact CD1-CH2 3.98Å; L119-W171 HydrophobicContact CD2-CH2 4.14Å; L119-W171 HydrophobicContact CD2-CZ3 4.01Å; L119-W171 HydrophobicContact CG-CH2 4.37Å
120	V	98.1	Very high	96.8	Very high	55 Å²	55	56.2 Å²	56.2	33%	0.333	28%	0.284	S	S	.	.	H	α-helix	trans	-57.4	-43.3	176.8	168.3	0	0	0	0	111.4	L116 R122 N144 L145	L116-V120 HydrophobicContact CD1-CG2 4.31Å; L116-V120 HydrophobicContact CG-CG2 4.47Å; L116-V120 WeakPolarHBondContact O-CB 3.24Å; L116-V120 WeakPolarHBondContact O-CG2 3.44Å; L116-V120 PolarHBondContact O-N 3.19Å; V120-R122 VanDerWaalsContact C-N 3.34Å; V120-R122 PolarHBondContact O-N 3.48Å; V120-N144 HydrophobicContact CG2-CB 4.22Å; V120-L145 HydrophobicContact CG2-CD2 3.95Å
121	G	97.8	Very high	97.1	Very high	62 Å²	62	50.7 Å²	50.7	64%	0.639	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	13.9	180	0	0	0	0	0	115.4	K117 K118 L119	K117-G121 WeakPolarHBondContact O-CA 3.44Å; K117-G121 PolarHBondContact O-N 3.01Å; K118-G121 CarbonylContact O-C 3.6Å; L119-G121 VanDerWaalsContact C-N 3.29Å; L119-G121 PolarHBondContact O-N 2.97Å
122	R	97.7	Very high	97.2	Very high	32 Å²	32	48.7 Å²	48.7	12%	0.121	25%	0.249	C	C	.	.	S	Bend	trans	-57.1	158.4	177.3	70.6	-163.2	173.7	-74.9	-3.5	110.9	K118 L119 V120 K124 V126 S148	K118-R122 WeakPolarHBondContact O-CA 3.47Å; K118-R122 PolarHBondContact O-N 3.34Å; L119-R122 VanDerWaalsContact O-CB 3.28Å; L119-R122 WeakPolarHBondContact O-CB 3.4Å; L119-R122 WeakPolarHBondContact O-CD 3.18Å; L119-R122 WeakPolarHBondContact O-CG 3.09Å; L119-R122 PolarHBondContact O-N 3.22Å; L119-R122 PolarHBondContact O-NH1 3.4Å; V120-R122 VanDerWaalsContact C-N 3.34Å; V120-R122 PolarHBondContact O-N 3.48Å; R122-K124 PolarHBondContact O-N 2.89Å; R122-V126 PolarHBondContact NE-O 2.86Å; R122-S148 PolarHBondContact NH1-OG 2.67Å; R122-S148 PolarHBondContact NH2-O 3.26Å
123	K	95	Very high	97.3	Very high	95 Å²	95	49.9 Å²	49.9	41%	0.413	26%	0.255	S	S	.	.			trans	-56.7	135.7	178.1	-59.1	169.7	-167.6	142.5	0	109.7	A85 N125 V126	A85-K123 PolarHBondContact O-NZ 3.42Å; A85-K123 VanDerWaalsContact O-NZ 3.08Å; K123-N125 WeakPolarHBondContact CB-OD1 3.38Å; K123-N125 PolarHBondContact O-N 3.24Å; K123-V126 HydrophobicContact CB-CG2 3.96Å; K123-V126 WeakPolarHBondContact O-CB 3.28Å; K123-V126 PolarHBondContact O-N 2.93Å
124	K	92.3	Very high	97.4	Very high	218 Å²	218	49.2 Å²	49.2	95%	0.948	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-24.3	-174.6	-69.5	-171.9	175.6	-175.7	0	114.8	R122 V126	R122-K124 PolarHBondContact O-N 2.89Å; K124-V126 VanDerWaalsContact C-N 3.34Å
125	N	95	Very high	97.3	Very high	106 Å²	106	52 Å²	52	57%	0.567	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	5.2	178.4	70.9	-58	0	0	0	113.6	K86 K123	K86-N125 PolarHBondContact O-ND2 3.38Å; K123-N125 WeakPolarHBondContact CB-OD1 3.38Å; K123-N125 PolarHBondContact O-N 3.24Å
126	V	98.6	Very high	97	Very high	6 Å²	6	59.7 Å²	59.7	4%	0.036	30%	0.304	C	S	.	.	S	Bend	trans	-99.5	108.4	175.4	176.2	0	0	0	0	108.8	A85 K87 I89 R122 K123 K124	A85-V126 HydrophobicContact CB-CG1 3.85Å; A85-V126 HydrophobicContact CB-CG2 4.24Å; K87-V126 CarbonylContact O-C 3.52Å; K87-V126 WeakPolarHBondContact O-CA 3.42Å; I89-V126 HydrophobicContact CD1-CG1 3.9Å; I89-V126 HydrophobicContact CG1-CG1 3.77Å; R122-V126 PolarHBondContact NE-O 2.86Å; K123-V126 HydrophobicContact CB-CG2 3.96Å; K123-V126 WeakPolarHBondContact O-CB 3.28Å; K123-V126 PolarHBondContact O-N 2.93Å; K124-V126 VanDerWaalsContact C-N 3.34Å
127	D	98.5	Very high	96.7	Very high	84 Å²	84	62.6 Å²	62.6	45%	0.449	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	131.1	174.3	-71.8	-22.2	0	0	0	110.1	K87 N88 I89	K87-D127 PolarHBondContact O-N 3.36Å; N88-D127 CarbonylContact C-O 3.54Å; N88-D127 WeakPolarHBondContact CA-O 3.4Å; I89-D127 PolarHBondContact N-O 3.08Å
128	L	98.8	Very high	96.3	Very high	2 Å²	2	62 Å²	62	1%	0.01	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	118.9	172.5	175.9	59	0	0	0	109.5	I89 I91 L119 I130 L145 A150 Q151	I89-L128 HydrophobicContact CB-CD1 3.85Å; I89-L128 HydrophobicContact CG2-CD1 3.67Å; I89-L128 WeakPolarHBondContact O-CA 3.36Å; I91-L128 HydrophobicContact CD1-CD1 4.01Å; L119-L128 HydrophobicContact CB-CD2 4.36Å; L119-L128 HydrophobicContact CD2-CD1 4.33Å; L119-L128 HydrophobicContact CD2-CD2 4.19Å; L128-I130 HydrophobicContact CD1-CG1 4.18Å; L128-I130 HydrophobicContact CD2-CD1 4.38Å; L128-I130 HydrophobicContact CG-CD1 4.27Å; L128-I130 HydrophobicContact CG-CG1 4.24Å; L128-L145 HydrophobicContact CD2-CD2 3.82Å; L128-A150 HydrophobicContact CB-CB 4.08Å; L128-A150 HydrophobicContact CD2-CB 3.81Å; L128-A150 HydrophobicContact CG-CB 3.88Å; L128-A150 WeakPolarHBondContact O-CA 3.45Å; L128-Q151 PolarHBondContact O-N 3.13Å
129	K	98.8	Very high	96.1	Very high	60 Å²	60	60.7 Å²	60.7	26%	0.261	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	125.7	-178.5	-67.7	178.2	-178.9	166.8	0	110.3	I89 S90 I91 Q151 W214 W218	I89-K129 PolarHBondContact O-N 2.82Å; S90-K129 WeakPolarHBondContact CA-O 3.29Å; I91-K129 PolarHBondContact N-O 2.99Å; K129-Q151 CarbonylContact C-O 3.43Å; K129-Q151 WeakPolarHBondContact CA-O 3.37Å; K129-Q151 HydrophobicContact CG-CB 4.32Å; K129-W214 HydrophobicContact CB-CH2 3.66Å; K129-W214 HydrophobicContact CB-CZ2 3.57Å; K129-W214 HydrophobicContact CD-CH2 4.04Å; K129-W214 HydrophobicContact CG-CH2 4.49Å; K129-W218 HydrophobicContact CB-CE3 4.3Å; K129-W218 HydrophobicContact CB-CH2 3.66Å; K129-W218 HydrophobicContact CB-CZ2 4.04Å; K129-W218 HydrophobicContact CB-CZ3 3.8Å; K129-W218 HydrophobicContact CD-CH2 4.3Å; K129-W218 HydrophobicContact CD-CZ2 3.84Å; K129-W218 HydrophobicContact CG-CH2 3.87Å; K129-W218 HydrophobicContact CG-CZ2 3.91Å
130	I	98.8	Very high	95.9	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	114.5	-172.5	-55.9	169.4	0	0	0	110	I91 W96 L128 Q132 L142 L145 Q151 I152 R153 W218	I91-I130 HydrophobicContact CB-CG1 4.34Å; I91-I130 HydrophobicContact CG2-CG2 4.42Å; I91-I130 CarbonylContact O-C 3.59Å; I91-I130 WeakPolarHBondContact O-CA 3.49Å; W96-I130 HydrophobicContact CH2-CD1 4.12Å; W96-I130 HydrophobicContact CZ2-CD1 3.69Å; W96-I130 HydrophobicContact CZ2-CG1 4.25Å; W96-I130 HydrophobicContact CZ2-CG2 4.07Å; L128-I130 HydrophobicContact CD1-CG1 4.18Å; L128-I130 HydrophobicContact CD2-CD1 4.38Å; L128-I130 HydrophobicContact CG-CD1 4.27Å; L128-I130 HydrophobicContact CG-CG1 4.24Å; I130-Q132 HydrophobicContact CG2-CB 4.2Å; I130-L142 HydrophobicContact CD1-CD2 4.48Å; I130-L145 HydrophobicContact CD1-CD1 3.88Å; I130-Q151 PolarHBondContact N-O 3.17Å; I130-I152 HydrophobicContact CB-CG1 4.27Å; I130-I152 HydrophobicContact CD1-CG1 4.35Å; I130-I152 WeakPolarHBondContact O-CA 3.28Å; I130-R153 PolarHBondContact O-N 2.87Å; I130-W218 WeakPolarHBondContact O-CZ3 3.11Å
131	A	98.5	Very high	95.8	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	105.4	165.2	0	0	0	0	0	108.4	I91 A92 S93 L155 L166 W218	I91-A131 PolarHBondContact O-N 3.23Å; A92-A131 WeakPolarHBondContact CA-O 3.34Å; A92-A131 HydrophobicContact CB-CB 4.36Å; S93-A131 PolarHBondContact N-O 3.01Å; A131-L155 HydrophobicContact CB-CD1 3.92Å; A131-L166 WeakPolarHBondContact O-CD2 3.41Å; A131-W218 HydrophobicContact CB-CE3 4.49Å
132	Q	98.3	Very high	95.8	Very high	7 Å²	7	59.8 Å²	59.8	3%	0.033	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	136.6	-171	175	51.8	38	0	0	110.2	S93 F94 I130 L142 I152 R153 W154 L155	S93-Q132 PolarHBondContact O-OE1 3.46Å; S93-Q132 PolarHBondContact OG-OE1 2.93Å; F94-Q132 PolarHBondContact O-NE2 3.16Å; I130-Q132 HydrophobicContact CG2-CB 4.2Å; Q132-L142 HydrophobicContact CG-CD1 4.02Å; Q132-I152 HydrophobicContact CB-CG2 3.87Å; Q132-R153 PolarHBondContact N-O 2.95Å; Q132-W154 HydrophobicContact CB-CD2 4.5Å; Q132-W154 HydrophobicContact CB-CE3 4.09Å; Q132-W154 HydrophobicContact CB-CZ3 4.31Å; Q132-W154 HydrophobicContact CG-CD2 4.31Å; Q132-W154 HydrophobicContact CG-CE3 3.51Å; Q132-W154 HydrophobicContact CG-CH2 3.94Å; Q132-W154 HydrophobicContact CG-CZ3 3.31Å; Q132-W154 CarbonylContact O-C 3.56Å; Q132-W154 WeakPolarHBondContact O-CA 3.44Å; Q132-L155 PolarHBondContact O-N 3.32Å
133	N	97.9	Very high	95.8	Very high	24 Å²	24	62.3 Å²	62.3	13%	0.128	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	144.5	174.1	179.6	56.9	0	0	0	113	S93 F94 I165 L166	S93-N133 PolarHBondContact O-N 3.44Å; F94-N133 HydrophobicContact CD2-CB 3.91Å; F94-N133 WeakPolarHBondContact CE2-ND2 3.4Å; F94-N133 VanDerWaalsContact O-CB 3.25Å; F94-N133 WeakPolarHBondContact O-CB 2.87Å; N133-I165 WeakPolarHBondContact OD1-CA 3.49Å; N133-I165 WeakPolarHBondContact OD1-CB 3.25Å; N133-L166 HydrophobicContact CB-CB 3.84Å; N133-L166 PolarHBondContact OD1-N 2.9Å
134	G	95.7	Very high	95.9	Very high	18 Å²	18	60.5 Å²	60.5	19%	0.186	32%	0.315	C	S	.	.	S	Bend	trans	82.7	-154.6	163.6	0	0	0	0	0	113.3	W154 L155	G134-W154 CarbonylContact O-C 3.12Å; G134-W154 WeakPolarHBondContact O-CB 3.43Å; G134-L155 PolarHBondContact N-O 3.02Å; G134-L155 CarbonylContact O-C 3.21Å; G134-L155 PolarHBondContact O-N 3Å
135	N	93.2	Very high	96.1	Very high	105 Å²	105	50.1 Å²	50.1	56%	0.561	27%	0.27	S	S	*	.	S	Bend	trans	-97.2	164.7	175.7	-66.5	-27.9	0	0	0	110.5	T137 W154	N135-T137 WeakPolarHBondContact O-CG2 3.35Å; N135-T137 PolarHBondContact O-N 2.82Å; N135-W154 WeakPolarHBondContact O-CZ3 3.39Å
136	E	92.7	Very high	96.3	Very high	161 Å²	161	48.6 Å²	48.6	75%	0.752	27%	0.265	S	S	*	.			trans	-53.4	135	177.7	-171.7	170.3	-177.4	0	0	112.5	W154	E136-W154 VanDerWaalsContact CA-CE2 3.47Å; E136-W154 HydrophobicContact CB-CD2 4.21Å; E136-W154 HydrophobicContact CB-CG 4.47Å; E136-W154 HydrophobicContact CB-CZ2 4.1Å; E136-W154 HydrophobicContact CG-CZ2 3.84Å
137	T	91.2	Very high	96.2	Very high	71 Å²	71	56.1 Å²	56.1	44%	0.436	30%	0.3	S	S	.	.			trans	-130	158.6	-176.3	63.4	0	0	0	0	111.5	N135 S139 W154	N135-T137 WeakPolarHBondContact O-CG2 3.35Å; N135-T137 PolarHBondContact O-N 2.82Å; T137-S139 PolarHBondContact O-N 3.28Å; T137-W154 HydrophobicContact CG2-CZ3 4.26Å; T137-W154 WeakPolarHBondContact OG1-CH2 3.36Å
138	N	89.3	Confident	96.1	Very high	147 Å²	147	53.9 Å²	53.9	79%	0.786	29%	0.291	S	S	*	.			trans	-80.4	41.9	174.8	-66.2	-19.8	0	0	0	112.9	T140 M143	N138-T140 PolarHBondContact O-N 2.84Å; N138-M143 HydrophobicContact CB-CE 4.02Å
139	S	93.3	Very high	96.1	Very high	21 Å²	21	56.3 Å²	56.3	15%	0.147	32%	0.316	C	S	.	.			trans	-72.3	117.9	176.9	172.7	0	0	0	0	110.2	T137 D141 L142 M143	T137-S139 PolarHBondContact O-N 3.28Å; S139-D141 PolarHBondContact O-N 3.33Å; S139-L142 PolarHBondContact O-N 3.2Å; S139-M143 WeakPolarHBondContact O-CG 3.38Å; S139-M143 PolarHBondContact O-N 3.48Å
140	T	93.9	Very high	96.1	Very high	88 Å²	88	53.8 Å²	53.8	54%	0.54	31%	0.306	S	S	.	.	H	α-helix	trans	-56.4	-37.7	177	-53.8	0	0	0	0	112.2	N138 M143 N144	N138-T140 PolarHBondContact O-N 2.84Å; T140-M143 PolarHBondContact O-N 3.25Å; T140-N144 WeakPolarHBondContact O-CB 3.47Å; T140-N144 PolarHBondContact O-N 3.26Å; T140-N144 PolarHBondContact O-ND2 3.26Å
141	D	97	Very high	96	Very high	5 Å²	5	58.4 Å²	58.4	3%	0.027	33%	0.328	C	S	.	.	H	α-helix	trans	-61.2	-49.2	177.4	-69	10	0	0	0	111.5	W96 S97 L98 S99 L116 S139 N144 L145	W96-D141 HydrophobicContact CB-CB 3.86Å; W96-D141 HydrophobicContact CE3-CB 4.42Å; S97-D141 PolarHBondContact N-OD2 3.13Å; L98-D141 WeakPolarHBondContact CA-OD2 3.18Å; L98-D141 WeakPolarHBondContact CB-OD2 3.3Å; L98-D141 PolarHBondContact N-OD2 3.32Å; S99-D141 WeakPolarHBondContact CB-OD1 3.33Å; S99-D141 PolarHBondContact N-OD1 2.71Å; S99-D141 PolarHBondContact N-OD2 2.89Å; S99-D141 PolarHBondContact OG-OD1 2.98Å; L116-D141 HydrophobicContact CD1-CB 4.23Å; L116-D141 HydrophobicContact CD2-CB 4.26Å; S139-D141 PolarHBondContact O-N 3.33Å; D141-N144 PolarHBondContact O-N 3.47Å; D141-L145 VanDerWaalsContact O-CG 3.23Å; D141-L145 WeakPolarHBondContact O-CG 3.49Å; D141-L145 PolarHBondContact O-N 2.85Å
142	L	97.8	Very high	96	Very high	5 Å²	5	60 Å²	60	3%	0.026	34%	0.336	C	S	.	.	H	α-helix	trans	-67.4	-37.7	-179.2	-68.2	179	0	0	0	111.5	W96 I130 Q132 S139 L145 T146 I152 W154	W96-L142 HydrophobicContact CB-CD2 4.32Å; W96-L142 HydrophobicContact CB-CG 4.18Å; W96-L142 VanDerWaalsContact CD1-CD2 3.45Å; W96-L142 HydrophobicContact CD2-CD2 3.87Å; W96-L142 HydrophobicContact CG-CD2 3.63Å; W96-L142 HydrophobicContact CG-CG 4.02Å; I130-L142 HydrophobicContact CD1-CD2 4.48Å; Q132-L142 HydrophobicContact CG-CD1 4.02Å; S139-L142 PolarHBondContact O-N 3.2Å; L142-L145 HydrophobicContact CD2-CD1 4.29Å; L142-L145 PolarHBondContact O-N 3.24Å; L142-T146 PolarHBondContact O-N 3.25Å; L142-T146 PolarHBondContact O-OG1 3Å; L142-I152 HydrophobicContact CB-CD1 3.82Å; L142-I152 HydrophobicContact CD2-CD1 3.82Å; L142-I152 HydrophobicContact CG-CD1 4.29Å; L142-W154 HydrophobicContact CD1-CH2 3.37Å; L142-W154 HydrophobicContact CD1-CZ2 4.01Å; L142-W154 HydrophobicContact CD1-CZ3 4.12Å
143	M	97	Very high	96	Very high	85 Å²	85	62.9 Å²	62.9	42%	0.419	35%	0.346	S	S	.	.	H	α-helix	trans	-59.2	-51	172.4	-71.9	171.7	171.7	0	0	111.5	N138 S139 T140 L145 T146 E147	N138-M143 HydrophobicContact CB-CE 4.02Å; S139-M143 WeakPolarHBondContact O-CG 3.38Å; S139-M143 PolarHBondContact O-N 3.48Å; T140-M143 PolarHBondContact O-N 3.25Å; M143-L145 PolarHBondContact O-N 2.93Å; M143-T146 PolarHBondContact O-N 3.2Å; M143-T146 VanDerWaalsContact O-N 3.14Å; M143-E147 WeakPolarHBondContact O-CG 3.34Å; M143-E147 PolarHBondContact O-N 3.08Å
144	N	96.9	Very high	95.9	Very high	58 Å²	58	63.9 Å²	63.9	31%	0.31	35%	0.348	S	S	.	.	H	α-helix	trans	-58.1	-38.9	177.3	-71	-15.8	0	0	0	111.9	V120 T140 D141 S148	V120-N144 HydrophobicContact CG2-CB 4.22Å; T140-N144 WeakPolarHBondContact O-CB 3.47Å; T140-N144 PolarHBondContact O-N 3.26Å; T140-N144 PolarHBondContact O-ND2 3.26Å; D141-N144 PolarHBondContact O-N 3.47Å; N144-S148 WeakPolarHBondContact O-CB 3.38Å; N144-S148 PolarHBondContact O-N 2.99Å; N144-S148 VanDerWaalsContact O-N 3.09Å; N144-S148 PolarHBondContact O-OG 2.9Å
145	L	98	Very high	96	Very high	0 Å²	0	63 Å²	63	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-66.8	-46.3	176.7	-69.9	166.8	0	0	0	111.2	W96 L116 L119 V120 L128 I130 D141 L142 M143 S148 G149 A150	W96-L145 HydrophobicContact CD2-CD1 4.24Å; W96-L145 HydrophobicContact CE3-CD1 3.72Å; W96-L145 HydrophobicContact CH2-CD1 3.73Å; W96-L145 HydrophobicContact CZ2-CD1 4.23Å; W96-L145 HydrophobicContact CZ3-CD1 3.45Å; W96-L145 VanDerWaalsContact CZ3-CD1 3.45Å; L116-L145 HydrophobicContact CD1-CD1 4.06Å; L116-L145 HydrophobicContact CD1-CD2 4.04Å; L116-L145 HydrophobicContact CD1-CG 3.91Å; L119-L145 HydrophobicContact CB-CD2 3.72Å; V120-L145 HydrophobicContact CG2-CD2 3.95Å; L128-L145 HydrophobicContact CD2-CD2 3.82Å; I130-L145 HydrophobicContact CD1-CD1 3.88Å; D141-L145 VanDerWaalsContact O-CG 3.23Å; D141-L145 WeakPolarHBondContact O-CG 3.49Å; D141-L145 PolarHBondContact O-N 2.85Å; L142-L145 HydrophobicContact CD2-CD1 4.29Å; L142-L145 PolarHBondContact O-N 3.24Å; M143-L145 PolarHBondContact O-N 2.93Å; L145-S148 CarbonylContact O-C 3.39Å; L145-S148 PolarHBondContact O-N 3.28Å; L145-S148 PolarHBondContact O-OG 3.49Å; L145-G149 PolarHBondContact O-N 3.41Å; L145-A150 HydrophobicContact CB-CB 3.89Å; L145-A150 WeakPolarHBondContact O-CB 3.2Å; L145-A150 PolarHBondContact O-N 2.92Å
146	T	97.4	Very high	96.1	Very high	74 Å²	74	59.5 Å²	59.5	45%	0.454	32%	0.32	S	S	.	.	H	α-helix	trans	-62.8	-43.1	176.9	-64.3	0	0	0	0	112.4	L142 M143 S148 G149 I152	L142-T146 PolarHBondContact O-N 3.25Å; L142-T146 PolarHBondContact O-OG1 3Å; M143-T146 PolarHBondContact O-N 3.2Å; M143-T146 VanDerWaalsContact O-N 3.14Å; T146-S148 PolarHBondContact O-N 2.95Å; T146-G149 WeakPolarHBondContact O-CA 3.28Å; T146-G149 PolarHBondContact O-N 3.36Å; T146-I152 VanDerWaalsContact OG1-CD1 3.23Å; T146-I152 WeakPolarHBondContact OG1-CD1 3.33Å
147	E	97.2	Very high	96.2	Very high	164 Å²	164	51.9 Å²	51.9	77%	0.766	29%	0.285	S	S	*	.	H	α-helix	trans	-60.1	-33.8	174.4	-73.2	179.7	-178.2	0	0	112.1	M143 G149	M143-E147 WeakPolarHBondContact O-CG 3.34Å; M143-E147 PolarHBondContact O-N 3.08Å; E147-G149 PolarHBondContact O-N 3.47Å
148	S	97.3	Very high	96.4	Very high	37 Å²	37	54.5 Å²	54.5	26%	0.259	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	7.2	172.5	80	0	0	0	0	114.3	R122 N144 L145 T146	R122-S148 PolarHBondContact NH1-OG 2.67Å; R122-S148 PolarHBondContact NH2-O 3.26Å; N144-S148 WeakPolarHBondContact O-CB 3.38Å; N144-S148 PolarHBondContact O-N 2.99Å; N144-S148 VanDerWaalsContact O-N 3.09Å; N144-S148 PolarHBondContact O-OG 2.9Å; L145-S148 CarbonylContact O-C 3.39Å; L145-S148 PolarHBondContact O-N 3.28Å; L145-S148 PolarHBondContact O-OG 3.49Å; T146-S148 PolarHBondContact O-N 2.95Å
149	G	97.8	Very high	96.6	Very high	52 Å²	52	53.1 Å²	53.1	54%	0.536	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.6	15.8	177.6	0	0	0	0	0	115.7	L145 T146 E147	L145-G149 PolarHBondContact O-N 3.41Å; T146-G149 WeakPolarHBondContact O-CA 3.28Å; T146-G149 PolarHBondContact O-N 3.36Å; E147-G149 PolarHBondContact O-N 3.47Å
150	A	98.3	Very high	96.7	Very high	7 Å²	7	53 Å²	53	6%	0.058	27%	0.273	C	S	.	.			trans	-73.1	145.1	172.3	0	0	0	0	0	111	L128 L145	L128-A150 HydrophobicContact CB-CB 4.08Å; L128-A150 HydrophobicContact CD2-CB 3.81Å; L128-A150 HydrophobicContact CG-CB 3.88Å; L128-A150 WeakPolarHBondContact O-CA 3.45Å; L145-A150 HydrophobicContact CB-CB 3.89Å; L145-A150 WeakPolarHBondContact O-CB 3.2Å; L145-A150 PolarHBondContact O-N 2.92Å
151	Q	98	Very high	96.7	Very high	98 Å²	98	50.4 Å²	50.4	46%	0.458	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	129.3	174.4	-62.8	173.8	34.3	0	0	109.5	L128 K129 I130 W218	L128-Q151 PolarHBondContact O-N 3.13Å; K129-Q151 CarbonylContact C-O 3.43Å; K129-Q151 WeakPolarHBondContact CA-O 3.37Å; K129-Q151 HydrophobicContact CG-CB 4.32Å; I130-Q151 PolarHBondContact N-O 3.17Å; Q151-W218 HydrophobicContact CB-CH2 3.86Å; Q151-W218 HydrophobicContact CB-CZ2 4.38Å
152	I	98	Very high	96.6	Very high	33 Å²	33	52.7 Å²	52.7	17%	0.169	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	137.2	179.2	-56.9	168.9	0	0	0	108.7	I130 Q132 L142 T146 W154	I130-I152 HydrophobicContact CB-CG1 4.27Å; I130-I152 HydrophobicContact CD1-CG1 4.35Å; I130-I152 WeakPolarHBondContact O-CA 3.28Å; Q132-I152 HydrophobicContact CB-CG2 3.87Å; L142-I152 HydrophobicContact CB-CD1 3.82Å; L142-I152 HydrophobicContact CD2-CD1 3.82Å; L142-I152 HydrophobicContact CG-CD1 4.29Å; T146-I152 VanDerWaalsContact OG1-CD1 3.23Å; T146-I152 WeakPolarHBondContact OG1-CD1 3.33Å; I152-W154 HydrophobicContact CG2-CD2 4.23Å; I152-W154 HydrophobicContact CG2-CZ2 4.07Å
153	R	97.6	Very high	96.4	Very high	67 Å²	67	56.5 Å²	56.5	25%	0.253	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	132.7	167.9	-75	-172.6	-178	-175.3	-5.4	109.7	I130 Q132 W218 G221 N222	I130-R153 PolarHBondContact O-N 2.87Å; Q132-R153 PolarHBondContact N-O 2.95Å; R153-W218 HydrophobicContact CB-CE3 3.97Å; R153-W218 HydrophobicContact CB-CH2 4.35Å; R153-W218 HydrophobicContact CB-CZ3 3.82Å; R153-W218 WeakPolarHBondContact CD-O 3.42Å; R153-W218 HydrophobicContact CG-CD2 4.29Å; R153-W218 HydrophobicContact CG-CE3 4.02Å; R153-W218 HydrophobicContact CG-CH2 3.76Å; R153-W218 HydrophobicContact CG-CZ2 4.05Å; R153-W218 HydrophobicContact CG-CZ3 3.73Å; R153-W218 VanDerWaalsContact NH1-CD1 3.32Å; R153-W218 PolarHBondContact NH1-O 3.2Å; R153-G221 WeakPolarHBondContact CB-O 3.46Å; R153-N222 PolarHBondContact NH1-ND2 3.22Å; R153-N222 PolarHBondContact NH1-OD1 3.29Å; R153-N222 PolarHBondContact NH2-OD1 2.95Å; R153-N222 VanDerWaalsContact NH2-OD1 3.13Å
154	W	97.2	Very high	96.3	Very high	46 Å²	46	53.4 Å²	53.4	17%	0.174	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	122.7	-172.2	-63.9	99	0	0	0	110	Q132 G134 N135 E136 T137 L142 I152 G221	Q132-W154 HydrophobicContact CB-CD2 4.5Å; Q132-W154 HydrophobicContact CB-CE3 4.09Å; Q132-W154 HydrophobicContact CB-CZ3 4.31Å; Q132-W154 HydrophobicContact CG-CD2 4.31Å; Q132-W154 HydrophobicContact CG-CE3 3.51Å; Q132-W154 HydrophobicContact CG-CH2 3.94Å; Q132-W154 HydrophobicContact CG-CZ3 3.31Å; Q132-W154 CarbonylContact O-C 3.56Å; Q132-W154 WeakPolarHBondContact O-CA 3.44Å; G134-W154 CarbonylContact O-C 3.12Å; G134-W154 WeakPolarHBondContact O-CB 3.43Å; N135-W154 WeakPolarHBondContact O-CZ3 3.39Å; E136-W154 VanDerWaalsContact CA-CE2 3.47Å; E136-W154 HydrophobicContact CB-CD2 4.21Å; E136-W154 HydrophobicContact CB-CG 4.47Å; E136-W154 HydrophobicContact CB-CZ2 4.1Å; E136-W154 HydrophobicContact CG-CZ2 3.84Å; T137-W154 HydrophobicContact CG2-CZ3 4.26Å; T137-W154 WeakPolarHBondContact OG1-CH2 3.36Å; L142-W154 HydrophobicContact CD1-CH2 3.37Å; L142-W154 HydrophobicContact CD1-CZ2 4.01Å; L142-W154 HydrophobicContact CD1-CZ3 4.12Å; I152-W154 HydrophobicContact CG2-CD2 4.23Å; I152-W154 HydrophobicContact CG2-CZ2 4.07Å; W154-G221 WeakPolarHBondContact O-CA 3.49Å
155	L	96.7	Very high	96.4	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	97.6	-177.4	-84	80.9	0	0	0	111	A131 Q132 G134 F157 L166 Y217 L220	A131-L155 HydrophobicContact CB-CD1 3.92Å; Q132-L155 PolarHBondContact O-N 3.32Å; G134-L155 PolarHBondContact N-O 3.02Å; G134-L155 CarbonylContact O-C 3.21Å; G134-L155 PolarHBondContact O-N 3Å; L155-F157 HydrophobicContact CB-CD2 4.37Å; L155-F157 HydrophobicContact CB-CE2 4.34Å; L155-F157 HydrophobicContact CD2-CE2 4.23Å; L155-F157 PolarHBondContact O-N 3.45Å; L155-L166 HydrophobicContact CD2-CD2 4.36Å; L155-Y217 WeakPolarHBondContact CD1-O 3.35Å; L155-Y217 HydrophobicContact CD2-CD1 4.02Å; L155-Y217 HydrophobicContact CD2-CG 4.1Å; L155-L220 HydrophobicContact CD2-CB 4.42Å
156	D	95.8	Very high	96.4	Very high	30 Å²	30	52.9 Å²	52.9	16%	0.16	29%	0.286	C	S	.	.			trans	-79.8	94.5	173.8	-175.5	-7.9	0	0	0	111.4	H158 R159 L160	D156-H158 VanDerWaalsContact C-N 3.3Å; D156-H158 PolarHBondContact O-N 2.9Å; D156-H158 WeakPolarHBondContact OD1-CA 3.38Å; D156-H158 WeakPolarHBondContact OD1-CB 3.19Å; D156-H158 PolarHBondContact OD1-N 3.24Å; D156-R159 HydrophobicContact CB-CB 4.04Å; D156-R159 PolarHBondContact O-N 3.25Å; D156-R159 PolarHBondContact OD1-N 3Å; D156-R159 WeakPolarHBondContact OD2-CB 3.29Å; D156-L160 WeakPolarHBondContact O-CB 3.32Å; D156-L160 WeakPolarHBondContact O-CD1 3.49Å; D156-L160 WeakPolarHBondContact O-CG 3.43Å; D156-L160 PolarHBondContact O-N 3.39Å
157	F	95.6	Very high	96.4	Very high	2 Å²	2	49.6 Å²	49.6	1%	0.009	27%	0.266	C	S	.	.	H	α-helix	trans	-65.8	-28.6	176.4	-93.8	-110.6	0	0	0	113.6	L155 R159 L160 V161 G162 G164 L166 P262 F265 Y409	L155-F157 HydrophobicContact CB-CD2 4.37Å; L155-F157 HydrophobicContact CB-CE2 4.34Å; L155-F157 HydrophobicContact CD2-CE2 4.23Å; L155-F157 PolarHBondContact O-N 3.45Å; F157-R159 VanDerWaalsContact C-N 3.32Å; F157-R159 PolarHBondContact O-N 3.43Å; F157-L160 PolarHBondContact O-N 3.21Å; F157-V161 HydrophobicContact CD1-CB 4.48Å; F157-V161 HydrophobicContact CD1-CG2 3.89Å; F157-V161 HydrophobicContact CE1-CG2 4.27Å; F157-V161 WeakPolarHBondContact O-CA 3.4Å; F157-V161 WeakPolarHBondContact O-CB 3.04Å; F157-V161 PolarHBondContact O-N 3.31Å; F157-G162 PolarHBondContact O-N 3.47Å; F157-G164 VanDerWaalsContact CB-O 3.23Å; F157-G164 WeakPolarHBondContact CB-O 3.35Å; F157-L166 HydrophobicContact CD2-CB 4.21Å; F157-L166 HydrophobicContact CE2-CB 3.61Å; F157-L166 HydrophobicContact CE2-CD1 4.33Å; F157-L166 HydrophobicContact CZ-CB 4.27Å; F157-L166 HydrophobicContact CZ-CD1 4.42Å; F157-P262 HydrophobicContact CE1-CG 4.38Å; F157-F265 HydrophobicContact CD1-CE2 4.49Å; F157-F265 HydrophobicContact CD1-CZ 4.48Å; F157-F265 HydrophobicContact CE1-CD2 4.42Å; F157-F265 AromaticContact CE1-CE2 3.7Å; F157-F265 HydrophobicContact CE1-CE2 3.7Å; F157-F265 HydrophobicContact CE1-CZ 4.07Å; F157-F265 AromaticContact CE2-CE2 3.71Å; F157-F265 HydrophobicContact CE2-CE2 3.71Å; F157-F265 HydrophobicContact CE2-CZ 4.31Å; F157-F265 AromaticContact CZ-CD2 3.99Å; F157-F265 HydrophobicContact CZ-CD2 3.99Å; F157-F265 AromaticContact CZ-CE2 3.26Å; F157-F265 HydrophobicContact CZ-CE2 3.26Å; F157-F265 AromaticContact CZ-CZ 3.99Å; F157-F265 HydrophobicContact CZ-CZ 3.99Å; F157-Y409 VanDerWaalsContact CD1-O 3.28Å; F157-Y409 WeakPolarHBondContact CD1-O 3.42Å
158	H	93.9	Very high	96.5	Very high	125 Å²	125	41.8 Å²	41.8	58%	0.579	23%	0.229	S	C	*	.	H	α-helix	trans	-64.4	-41.9	175	-75.1	-79.7	0	0	0	110.7	D156 G162	D156-H158 VanDerWaalsContact C-N 3.3Å; D156-H158 PolarHBondContact O-N 2.9Å; D156-H158 WeakPolarHBondContact OD1-CA 3.38Å; D156-H158 WeakPolarHBondContact OD1-CB 3.19Å; D156-H158 PolarHBondContact OD1-N 3.24Å; H158-G162 CarbonylContact O-C 3.49Å; H158-G162 WeakPolarHBondContact O-CA 3.48Å; H158-G162 PolarHBondContact O-N 2.95Å
159	R	93.9	Very high	96.5	Very high	119 Å²	119	40.1 Å²	40.1	45%	0.449	22%	0.217	S	C	.	.	H	α-helix	trans	-70.5	-39.3	174.8	-175.7	175.9	66.9	86.9	2.4	113.1	D156 F157 G225	D156-R159 HydrophobicContact CB-CB 4.04Å; D156-R159 PolarHBondContact O-N 3.25Å; D156-R159 PolarHBondContact OD1-N 3Å; D156-R159 WeakPolarHBondContact OD2-CB 3.29Å; F157-R159 VanDerWaalsContact C-N 3.32Å; F157-R159 PolarHBondContact O-N 3.43Å; R159-G225 PolarHBondContact NH1-O 3.35Å; R159-G225 PolarHBondContact NH2-O 2.8Å
160	L	95.8	Very high	96.6	Very high	17 Å²	17	37.7 Å²	37.7	9%	0.089	19%	0.192	C	C	.	.	H	α-helix	trans	-84.1	-33.2	-171.9	-67.3	169.7	0	0	0	114.1	D156 F157 L220 V227 F265	D156-L160 WeakPolarHBondContact O-CB 3.32Å; D156-L160 WeakPolarHBondContact O-CD1 3.49Å; D156-L160 WeakPolarHBondContact O-CG 3.43Å; D156-L160 PolarHBondContact O-N 3.39Å; F157-L160 PolarHBondContact O-N 3.21Å; L160-L220 HydrophobicContact CD1-CB 3.95Å; L160-L220 HydrophobicContact CD2-CD2 4.19Å; L160-V227 HydrophobicContact CB-CG2 4.46Å; L160-V227 HydrophobicContact CD2-CG2 4.46Å; L160-F265 HydrophobicContact CB-CE1 4.21Å; L160-F265 HydrophobicContact CB-CZ 3.92Å; L160-F265 HydrophobicContact CD1-CZ 4.08Å
161	V	94.5	Very high	96.6	Very high	34 Å²	34	37.3 Å²	37.3	21%	0.206	19%	0.189	C	C	.	.	H	α-helix	trans	-125.3	-18.3	-172	-174.2	0	0	0	0	111.7	F157 P262 L264 F265 Y409	F157-V161 HydrophobicContact CD1-CB 4.48Å; F157-V161 HydrophobicContact CD1-CG2 3.89Å; F157-V161 HydrophobicContact CE1-CG2 4.27Å; F157-V161 WeakPolarHBondContact O-CA 3.4Å; F157-V161 WeakPolarHBondContact O-CB 3.04Å; F157-V161 PolarHBondContact O-N 3.31Å; V161-P262 HydrophobicContact CG1-CG 4.47Å; V161-P262 HydrophobicContact CG2-CG 4.12Å; V161-L264 HydrophobicContact CG2-CD2 4.42Å; V161-F265 HydrophobicContact CG2-CD1 4.43Å; V161-F265 HydrophobicContact CG2-CE1 3.46Å; V161-F265 VanDerWaalsContact CG2-CE1 3.46Å; V161-F265 HydrophobicContact CG2-CZ 3.52Å; V161-Y409 HydrophobicContact CG1-CD1 4.16Å
162	G	93.6	Very high	96.7	Very high	53 Å²	53	32.7 Å²	32.7	55%	0.546	17%	0.167	S	C	.	.	S	Bend	trans	98.7	-24	-174.1	0	0	0	0	0	113.4	F157 H158	F157-G162 PolarHBondContact O-N 3.47Å; H158-G162 CarbonylContact O-C 3.49Å; H158-G162 WeakPolarHBondContact O-CA 3.48Å; H158-G162 PolarHBondContact O-N 2.95Å
163	Q	94.1	Very high	96.7	Very high	86 Å²	86	31.1 Å²	31.1	40%	0.402	16%	0.159	S	C	.	.	S	Bend	trans	-166.3	177	179.2	65.5	-170.3	-23.4	0	0	111	Y409	Q163-Y409 HydrophobicContact CG-CD1 3.92Å; Q163-Y409 HydrophobicContact CG-CD2 4.05Å; Q163-Y409 HydrophobicContact CG-CG 3.61Å; Q163-Y409 VanDerWaalsContact NE2-CE1 3.28Å; Q163-Y409 VanDerWaalsContact NE2-CG 3.32Å
164	G	95.8	Very high	96.7	Very high	20 Å²	20	29.7 Å²	29.7	21%	0.206	16%	0.157	C	C	.	.			trans	89.6	-169.2	177.1	0	0	0	0	0	113.1	F157 Y409	F157-G164 VanDerWaalsContact CB-O 3.23Å; F157-G164 WeakPolarHBondContact CB-O 3.35Å; G164-Y409 WeakPolarHBondContact CA-O 3.46Å
165	I	97.6	Very high	96.8	Very high	46 Å²	46	29.5 Å²	29.5	24%	0.236	16%	0.161	C	C	.	.			trans	-148	160.9	-173.5	53	169.7	0	0	0	110.3	F94 N133 H167 T410 G411	F94-I165 HydrophobicContact CD2-CD1 3.93Å; F94-I165 HydrophobicContact CE1-CD1 4.18Å; F94-I165 HydrophobicContact CE2-CB 4.17Å; F94-I165 HydrophobicContact CE2-CD1 3.35Å; F94-I165 HydrophobicContact CE2-CG1 4.3Å; F94-I165 HydrophobicContact CE2-CG2 4.29Å; F94-I165 HydrophobicContact CZ-CD1 3.51Å; N133-I165 WeakPolarHBondContact OD1-CA 3.49Å; N133-I165 WeakPolarHBondContact OD1-CB 3.25Å; I165-H167 HydrophobicContact CD1-CB 4.37Å; I165-H167 HydrophobicContact CG1-CB 4.45Å; I165-H167 PolarHBondContact O-N 3.3Å; I165-T410 HydrophobicContact CG1-CG2 4.03Å; I165-T410 CarbonylContact O-C 3.59Å; I165-T410 WeakPolarHBondContact O-CA 3.5Å; I165-T410 VanDerWaalsContact O-CG2 3.32Å; I165-T410 WeakPolarHBondContact O-CG2 3.36Å; I165-G411 PolarHBondContact O-N 3.26Å
166	L	98.4	Very high	96.8	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.178	C	C	.	.	B	Isolated β-bridge	trans	-75.5	110.7	159.9	-179.4	65	0	0	0	108.9	A92 F94 A131 N133 L155 F157 Y217	A92-L166 HydrophobicContact CB-CD2 4.42Å; F94-L166 WeakPolarHBondContact CA-O 3.33Å; F94-L166 WeakPolarHBondContact CB-O 3.32Å; F94-L166 VanDerWaalsContact CD2-O 3.26Å; F94-L166 WeakPolarHBondContact CD2-O 3.27Å; A131-L166 WeakPolarHBondContact O-CD2 3.41Å; N133-L166 HydrophobicContact CB-CB 3.84Å; N133-L166 PolarHBondContact OD1-N 2.9Å; L155-L166 HydrophobicContact CD2-CD2 4.36Å; F157-L166 HydrophobicContact CD2-CB 4.21Å; F157-L166 HydrophobicContact CE2-CB 3.61Å; F157-L166 HydrophobicContact CE2-CD1 4.33Å; F157-L166 HydrophobicContact CZ-CB 4.27Å; F157-L166 HydrophobicContact CZ-CD1 4.42Å; L166-Y217 HydrophobicContact CD1-CD1 4.11Å; L166-Y217 HydrophobicContact CD1-CD2 4.01Å; L166-Y217 HydrophobicContact CD1-CE1 3.94Å; L166-Y217 HydrophobicContact CD1-CE2 3.82Å; L166-Y217 HydrophobicContact CD1-CG 4.15Å
167	H	97.9	Very high	96.9	Very high	6 Å²	6	32.5 Å²	32.5	3%	0.028	17%	0.173	C	C	.	.			trans	-109.8	11.8	176.9	-159.8	-99.8	0	0	0	113.1	F94 I165 K169 T399 Y406 T410 G411	F94-H167 AromaticContact CD1-CD2 3.63Å; I165-H167 HydrophobicContact CD1-CB 4.37Å; I165-H167 HydrophobicContact CG1-CB 4.45Å; I165-H167 PolarHBondContact O-N 3.3Å; H167-K169 PolarHBondContact CD2-NZ 2.97Å; H167-K169 PolarHBondContact CE1-NZ 3.27Å; H167-K169 VanDerWaalsContact CE1-NZ 3.29Å; H167-K169 PolarHBondContact ND1-NZ 3.36Å; H167-K169 PolarHBondContact NE2-NZ 3.23Å; H167-K169 WeakPolarHBondContact O-CD 3.42Å; H167-K169 WeakPolarHBondContact O-CE 3.28Å; H167-K169 PolarHBondContact O-NZ 3.15Å; H167-T399 PolarHBondContact CE1-O 2.94Å; H167-T399 PolarHBondContact ND1-O 3.38Å; H167-Y406 HydrophobicContact CB-CE1 4.22Å; H167-Y406 AromaticContact CE1-CE1 3.83Å; H167-Y406 AromaticContact CG-CE1 3.71Å; H167-Y406 AromaticContact ND1-CE1 3.56Å; H167-T410 HydrophobicContact CB-CG2 3.4Å; H167-G411 CarbonylContact C-O 3.27Å; H167-G411 VanDerWaalsContact C-O 3.24Å; H167-G411 VanDerWaalsContact CA-O 3.27Å; H167-G411 WeakPolarHBondContact CA-O 3.14Å; H167-G411 PolarHBondContact N-O 2.78Å
168	T	98.5	Very high	97	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.172	C	C	.	.			trans	-68.9	142.6	174.3	-57.2	0	0	0	0	111.2	A92 S93 L170 Y217 G411 V413	A92-T168 HydrophobicContact CB-CG2 4.09Å; S93-T168 WeakPolarHBondContact CA-O 3.5Å; T168-L170 HydrophobicContact CG2-CB 3.51Å; T168-L170 HydrophobicContact CG2-CD1 4.25Å; T168-Y217 HydrophobicContact CG2-CE2 4.02Å; T168-Y217 PolarHBondContact OG1-OH 3.48Å; T168-Y217 VanDerWaalsContact OG1-OH 3.04Å; T168-G411 PolarHBondContact N-O 3.36Å; T168-G411 PolarHBondContact OG1-O 2.97Å; T168-V413 HydrophobicContact CG2-CB 4.37Å; T168-V413 HydrophobicContact CG2-CG2 3.75Å
169	K	98.6	Very high	97.3	Very high	2 Å²	2	26.4 Å²	26.4	1%	0.009	15%	0.145	C	C	.	.			trans	-127.4	91.4	166.6	-48.7	98.4	172.5	65.5	0	108	A92 H167 G181 S182 A183 N184 T399	A92-K169 WeakPolarHBondContact O-CA 3.2Å; H167-K169 PolarHBondContact CD2-NZ 2.97Å; H167-K169 PolarHBondContact CE1-NZ 3.27Å; H167-K169 VanDerWaalsContact CE1-NZ 3.29Å; H167-K169 PolarHBondContact ND1-NZ 3.36Å; H167-K169 PolarHBondContact NE2-NZ 3.23Å; H167-K169 WeakPolarHBondContact O-CD 3.42Å; H167-K169 WeakPolarHBondContact O-CE 3.28Å; H167-K169 PolarHBondContact O-NZ 3.15Å; K169-G181 WeakPolarHBondContact CD-O 3.26Å; K169-S182 WeakPolarHBondContact CD-O 3.43Å; K169-S182 WeakPolarHBondContact CE-O 3.21Å; K169-A183 WeakPolarHBondContact CB-O 3.49Å; K169-A183 WeakPolarHBondContact CG-O 3.4Å; K169-N184 WeakPolarHBondContact CE-OD1 3.41Å; K169-N184 PolarHBondContact NZ-OD1 3.11Å; K169-T399 HydrophobicContact CD-CG2 4.4Å
170	L	98.8	Very high	97.5	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	134.9	-169.8	176.5	165.3	0	0	0	109.2	I91 A92 T168 Y179 L180 L210 W214	I91-L170 CarbonylContact C-O 3.51Å; I91-L170 WeakPolarHBondContact CA-O 3.26Å; A92-L170 HydrophobicContact CB-CB 4.31Å; A92-L170 PolarHBondContact N-O 2.94Å; A92-L170 PolarHBondContact O-N 3.24Å; T168-L170 HydrophobicContact CG2-CB 3.51Å; T168-L170 HydrophobicContact CG2-CD1 4.25Å; L170-Y179 CarbonylContact C-O 3.59Å; L170-Y179 WeakPolarHBondContact CA-O 3.04Å; L170-L180 HydrophobicContact CB-CD1 4.22Å; L170-L210 HydrophobicContact CD1-CD1 3.42Å; L170-L210 VanDerWaalsContact CD1-CD1 3.42Å; L170-L210 HydrophobicContact CD1-CD2 4.33Å; L170-L210 HydrophobicContact CD1-CG 3.75Å; L170-L210 HydrophobicContact CG-CD1 4.27Å; L170-L210 HydrophobicContact CG-CD2 4.32Å; L170-L210 HydrophobicContact CG-CG 4.2Å; L170-W214 HydrophobicContact CD2-CB 4.03Å; L170-W214 HydrophobicContact CD2-CG 4.41Å
171	W	98.8	Very high	97.6	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	141.3	169.4	-63.8	54.2	0	0	0	109.2	W78 L81 I82 I89 S90 I91 I115 L119 G178 Y179 M185	W78-W171 HydrophobicContact CB-CH2 4.4Å; W78-W171 HydrophobicContact CB-CZ2 4.45Å; W78-W171 HydrophobicContact CD2-CH2 4.45Å; W78-W171 AromaticContact CD2-CZ2 3.7Å; W78-W171 HydrophobicContact CD2-CZ2 3.7Å; W78-W171 AromaticContact CE2-CE2 3.94Å; W78-W171 AromaticContact CE2-NE1 3.59Å; W78-W171 AromaticContact CE3-CZ2 3.87Å; W78-W171 HydrophobicContact CE3-CZ2 3.87Å; W78-W171 HydrophobicContact CG-CH2 4.41Å; W78-W171 AromaticContact CG-CZ2 3.99Å; W78-W171 HydrophobicContact CG-CZ2 3.99Å; W78-W171 HydrophobicContact CZ2-CZ2 4.48Å; W78-W171 AromaticContact CZ2-NE1 3.76Å; W78-W171 HydrophobicContact CZ3-CZ2 4.31Å; W78-W171 AromaticContact NE1-NE1 3.66Å; L81-W171 HydrophobicContact CD1-CB 3.98Å; L81-W171 HydrophobicContact CD1-CD2 4.48Å; L81-W171 HydrophobicContact CD1-CE3 4.41Å; L81-W171 HydrophobicContact CD1-CG 4.35Å; I82-W171 HydrophobicContact CD1-CH2 4.1Å; I82-W171 HydrophobicContact CD1-CZ3 4.09Å; I82-W171 HydrophobicContact CG1-CH2 4.26Å; I82-W171 HydrophobicContact CG1-CZ3 3.73Å; I89-W171 HydrophobicContact CG2-CE3 4.22Å; I89-W171 HydrophobicContact CG2-CZ3 4.43Å; S90-W171 CarbonylContact O-C 3.51Å; S90-W171 WeakPolarHBondContact O-CA 3.48Å; I91-W171 HydrophobicContact CD1-CD2 3.95Å; I91-W171 HydrophobicContact CD1-CE3 3.84Å; I91-W171 HydrophobicContact CD1-CH2 3.92Å; I91-W171 HydrophobicContact CD1-CZ2 4.02Å; I91-W171 HydrophobicContact CD1-CZ3 3.83Å; I91-W171 HydrophobicContact CG1-CD2 3.93Å; I91-W171 HydrophobicContact CG1-CE3 4.07Å; I91-W171 HydrophobicContact CG1-CG 4.21Å; I115-W171 HydrophobicContact CG2-CH2 4.2Å; L119-W171 HydrophobicContact CD1-CH2 3.98Å; L119-W171 HydrophobicContact CD2-CH2 4.14Å; L119-W171 HydrophobicContact CD2-CZ3 4.01Å; L119-W171 HydrophobicContact CG-CH2 4.37Å; W171-G178 CarbonylContact O-C 3.59Å; W171-G178 WeakPolarHBondContact O-CA 3.44Å; W171-Y179 AromaticContact CD1-CD1 3.71Å; W171-Y179 PolarHBondContact N-O 3.29Å; W171-Y179 PolarHBondContact O-N 3.29Å; W171-M185 HydrophobicContact CD2-CE 4.46Å; W171-M185 VanDerWaalsContact CE2-CE 3.43Å; W171-M185 HydrophobicContact CZ2-CE 3.64Å; W171-M185 HydrophobicContact CZ2-SD 3.62Å
172	S	98.8	Very high	97.8	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	130.8	169.1	173.2	0	0	0	0	108.5	I89 S90 N177 E211	I89-S172 CarbonylContact C-O 3.58Å; I89-S172 WeakPolarHBondContact CA-O 3.5Å; S90-S172 PolarHBondContact N-O 3.45Å; S90-S172 PolarHBondContact O-N 2.53Å; S172-N177 CarbonylContact C-O 3.56Å; S172-E211 WeakPolarHBondContact CB-OE2 3.29Å; S172-E211 PolarHBondContact OG-OE2 3.34Å
173	V	98.7	Very high	98.1	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	117.4	-176	179.4	0	0	0	0	108.1	L81 A85 N88 I89 T175 K176 N177	L81-V173 HydrophobicContact CB-CG2 3.98Å; L81-V173 HydrophobicContact CD2-CG2 4.19Å; A85-V173 HydrophobicContact CB-CG1 3.56Å; N88-V173 WeakPolarHBondContact O-CA 3.43Å; I89-V173 HydrophobicContact CG1-CG1 4.45Å; I89-V173 HydrophobicContact CG1-CG2 4.18Å; I89-V173 HydrophobicContact CG2-CG2 4.38Å; V173-T175 PolarHBondContact O-N 3.48Å; V173-K176 PolarHBondContact O-N 3.33Å; V173-N177 HydrophobicContact CB-CB 4.3Å; V173-N177 PolarHBondContact N-O 2.8Å; V173-N177 PolarHBondContact O-N 3.3Å
174	D	98.2	Very high	98.3	Very high	37 Å²	37	12.1 Å²	12.1	20%	0.198	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	53	25.7	-178.8	-59.8	-35.8	0	0	0	114.1	K86 K87 N88 K176	K86-D174 WeakPolarHBondContact CB-OD2 3.35Å; K86-D174 PolarHBondContact N-OD2 3.32Å; K87-D174 WeakPolarHBondContact CA-OD1 3.17Å; K87-D174 WeakPolarHBondContact CB-OD1 3.5Å; K87-D174 PolarHBondContact N-OD1 3.47Å; N88-D174 PolarHBondContact N-OD1 3.35Å; N88-D174 PolarHBondContact O-N 2.97Å; N88-D174 VanDerWaalsContact O-N 3.08Å; N88-D174 WeakPolarHBondContact OD1-CA 3.45Å; N88-D174 PolarHBondContact OD1-N 2.92Å; D174-K176 HydrophobicContact CB-CB 4.49Å; D174-K176 PolarHBondContact O-N 3.37Å; D174-K176 VanDerWaalsContact O-N 3.12Å
175	T	98	Very high	98.4	Very high	43 Å²	43	11.3 Å²	11.3	26%	0.264	6%	0.057	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.9	34.9	-173.3	-44.2	0	0	0	0	112	V173 M207 D208 E211	V173-T175 PolarHBondContact O-N 3.48Å; T175-M207 VanDerWaalsContact C-CB 3.47Å; T175-M207 WeakPolarHBondContact O-CB 3.38Å; T175-D208 HydrophobicContact CG2-CB 4.19Å; T175-E211 HydrophobicContact CG2-CB 4.15Å; T175-E211 HydrophobicContact CG2-CG 4.42Å
176	K	97	Very high	98.4	Very high	84 Å²	84	9.2 Å²	9.2	37%	0.365	5%	0.046	S	C	.	.	T	Hydrogen-bonded Turn	trans	-137.6	-41.6	-171.4	-177.9	-178.5	176.4	174.4	0	112.5	V173 D174 N202 C203 M207	V173-K176 PolarHBondContact O-N 3.33Å; D174-K176 HydrophobicContact CB-CB 4.49Å; D174-K176 PolarHBondContact O-N 3.37Å; D174-K176 VanDerWaalsContact O-N 3.12Å; K176-N202 WeakPolarHBondContact CE-OD1 3.38Å; K176-N202 PolarHBondContact NZ-OD1 3.46Å; K176-N202 PolarHBondContact O-N 2.86Å; K176-C203 PolarHBondContact O-N 3Å; K176-M207 VanDerWaalsContact C-CG 3.47Å; K176-M207 WeakPolarHBondContact O-CG 3.49Å
177	N	98.2	Very high	98.3	Very high	8 Å²	8	9.4 Å²	9.4	4%	0.043	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	158.5	175.5	-48.5	-34.6	0	0	0	109.2	L81 S84 S172 V173 I200 Y201 N202 M207	L81-N177 HydrophobicContact CD2-CB 3.52Å; S84-N177 PolarHBondContact OG-ND2 3.37Å; S172-N177 CarbonylContact C-O 3.56Å; V173-N177 HydrophobicContact CB-CB 4.3Å; V173-N177 PolarHBondContact N-O 2.8Å; V173-N177 PolarHBondContact O-N 3.3Å; N177-I200 CarbonylContact C-O 3.57Å; N177-I200 WeakPolarHBondContact CA-O 3.27Å; N177-Y201 HydrophobicContact CB-CD2 4.08Å; N177-Y201 HydrophobicContact CB-CE2 4.47Å; N177-N202 PolarHBondContact OD1-N 2.87Å; N177-M207 WeakPolarHBondContact O-CE 3.12Å
178	G	98.6	Very high	98.2	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	5%	0.051	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172	176.1	177.7	0	0	0	0	0	114	W171 I200	W171-G178 CarbonylContact O-C 3.59Å; W171-G178 WeakPolarHBondContact O-CA 3.44Å; G178-I200 PolarHBondContact N-O 2.82Å; G178-I200 PolarHBondContact O-N 3.22Å
179	Y	98.9	Very high	98.1	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	141.4	173.7	163.6	-90.6	0	0	0	109.4	V55 T74 W78 L170 W171 A183 V198	V55-Y179 HydrophobicContact CG2-CD2 3.91Å; V55-Y179 HydrophobicContact CG2-CE2 3.56Å; T74-Y179 HydrophobicContact CG2-CE2 3.92Å; W78-Y179 HydrophobicContact CZ2-CE1 4.09Å; W78-Y179 AromaticContact NE1-CD1 3.41Å; W78-Y179 AromaticContact NE1-CD2 3.82Å; W78-Y179 AromaticContact NE1-CE1 3.63Å; W78-Y179 AromaticContact NE1-CG 3.51Å; W78-Y179 AromaticContact NE1-CZ 3.94Å; L170-Y179 CarbonylContact C-O 3.59Å; L170-Y179 WeakPolarHBondContact CA-O 3.04Å; W171-Y179 AromaticContact CD1-CD1 3.71Å; W171-Y179 PolarHBondContact N-O 3.29Å; W171-Y179 PolarHBondContact O-N 3.29Å; Y179-A183 VanDerWaalsContact OH-CB 3.28Å; Y179-A183 WeakPolarHBondContact OH-CB 3.21Å; Y179-A183 PolarHBondContact OH-N 3.44Å; Y179-V198 VanDerWaalsContact CA-O 3.31Å; Y179-V198 WeakPolarHBondContact CA-O 3.49Å; Y179-V198 WeakPolarHBondContact CD2-O 3.2Å
180	L	98.9	Very high	98.1	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	129.4	168.8	-178.5	70.6	0	0	0	109.2	L170 G197 V198 F258 T399 V413 F415	L170-L180 HydrophobicContact CB-CD1 4.22Å; L180-G197 CarbonylContact O-C 3.24Å; L180-G197 WeakPolarHBondContact O-CA 3.28Å; L180-V198 HydrophobicContact CB-CG2 4.13Å; L180-V198 PolarHBondContact N-O 2.92Å; L180-V198 VanDerWaalsContact N-O 3.09Å; L180-V198 PolarHBondContact O-N 2.74Å; L180-F258 HydrophobicContact CD2-CD1 4.06Å; L180-F258 HydrophobicContact CD2-CE1 4.03Å; L180-T399 HydrophobicContact CD1-CG2 3.72Å; L180-T399 HydrophobicContact CG-CG2 4.48Å; L180-V413 HydrophobicContact CD1-CB 3.94Å; L180-V413 HydrophobicContact CD1-CG1 4Å; L180-V413 HydrophobicContact CD2-CB 4.5Å; L180-V413 HydrophobicContact CD2-CG1 3.86Å; L180-F415 HydrophobicContact CD2-CB 3.86Å
181	G	98.7	Very high	97.9	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	175.3	-162.4	179.1	0	0	0	0	0	113.7	K169 L196 T399	K169-G181 WeakPolarHBondContact CD-O 3.26Å; G181-L196 WeakPolarHBondContact CA-O 3.49Å; G181-T399 WeakPolarHBondContact O-CG2 3.31Å
182	S	98.6	Very high	97.8	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	5%	0.053	C	C	.	.	S	Bend	trans	-85.8	-23	-171.9	61.6	0	0	0	0	115.4	K169 N184 E195 L196 H385	K169-S182 WeakPolarHBondContact CD-O 3.43Å; K169-S182 WeakPolarHBondContact CE-O 3.21Å; S182-N184 PolarHBondContact O-N 3.35Å; S182-E195 WeakPolarHBondContact CB-OE2 3.36Å; S182-E195 WeakPolarHBondContact OG-CA 3.35Å; S182-E195 WeakPolarHBondContact OG-CB 3.42Å; S182-E195 PolarHBondContact OG-OE2 3.03Å; S182-L196 PolarHBondContact N-O 3.38Å; S182-L196 PolarHBondContact OG-N 2.99Å; S182-L196 PolarHBondContact OG-O 3.19Å; S182-H385 WeakPolarHBondContact CB-O 3.35Å; S182-H385 PolarHBondContact O-CE1 3.47Å; S182-H385 PolarHBondContact O-ND1 2.91Å; S182-H385 PolarHBondContact OG-O 3.04Å
183	A	98.7	Very high	97.7	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.055	C	C	.	.			trans	-64.5	122.9	-175.3	0	0	0	0	0	113.7	T74 W78 K169 Y179 E195	T74-A183 HydrophobicContact CG2-CB 3.81Å; W78-A183 HydrophobicContact CH2-CB 4.39Å; W78-A183 HydrophobicContact CZ2-CB 4.04Å; K169-A183 WeakPolarHBondContact CB-O 3.49Å; K169-A183 WeakPolarHBondContact CG-O 3.4Å; Y179-A183 VanDerWaalsContact OH-CB 3.28Å; Y179-A183 WeakPolarHBondContact OH-CB 3.21Å; Y179-A183 PolarHBondContact OH-N 3.44Å; A183-E195 HydrophobicContact CB-CB 4.04Å; A183-E195 HydrophobicContact CB-CG 3.83Å; A183-E195 PolarHBondContact N-OE2 2.66Å
184	N	98.5	Very high	97.7	Very high	8 Å²	8	11.1 Å²	11.1	4%	0.043	6%	0.055	C	C	.	.			trans	-76.9	165.7	170.5	-65.2	-65.7	0	0	0	111.1	W78 Y95 K169 S182 D186 S189	W78-N184 WeakPolarHBondContact CH2-O 3.44Å; Y95-N184 HydrophobicContact CE1-CB 3.98Å; Y95-N184 HydrophobicContact CE2-CB 4.37Å; K169-N184 WeakPolarHBondContact CE-OD1 3.41Å; K169-N184 PolarHBondContact NZ-OD1 3.11Å; S182-N184 PolarHBondContact O-N 3.35Å; N184-D186 HydrophobicContact CB-CB 4.1Å; N184-D186 PolarHBondContact O-N 2.94Å; N184-S189 PolarHBondContact N-OG 2.83Å; N184-S189 VanDerWaalsContact N-OG 3.13Å; N184-S189 WeakPolarHBondContact O-CB 3.25Å
185	M	98.3	Very high	97.7	Very high	3 Å²	3	9.4 Å²	9.4	2%	0.015	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	65.6	170.6	-54.4	-64	176.9	0	0	109.9	W78 I91 Y95 W96 S97 L98 W171	W78-M185 HydrophobicContact CH2-SD 3.76Å; W78-M185 HydrophobicContact CZ2-SD 4.35Å; W78-M185 HydrophobicContact CZ3-SD 4Å; I91-M185 HydrophobicContact CB-CE 4.45Å; I91-M185 HydrophobicContact CD1-CE 4.19Å; I91-M185 HydrophobicContact CG1-CE 4.44Å; I91-M185 HydrophobicContact CG2-CE 3.23Å; Y95-M185 WeakPolarHBondContact O-CB 3.2Å; W96-M185 CarbonylContact C-O 3.52Å; W96-M185 WeakPolarHBondContact CA-O 3.37Å; W96-M185 HydrophobicContact CB-CB 4.49Å; W96-M185 HydrophobicContact CD2-CB 3.69Å; W96-M185 HydrophobicContact CD2-CG 3.89Å; W96-M185 HydrophobicContact CE3-CB 3.84Å; W96-M185 HydrophobicContact CE3-CG 4.18Å; W96-M185 HydrophobicContact CG-CB 3.99Å; W96-M185 HydrophobicContact CG-CG 4.42Å; W96-M185 HydrophobicContact CH2-CG 4.15Å; W96-M185 HydrophobicContact CH2-SD 4.16Å; W96-M185 HydrophobicContact CZ2-CE 4.32Å; W96-M185 HydrophobicContact CZ2-CG 3.86Å; W96-M185 HydrophobicContact CZ2-SD 4.32Å; W96-M185 HydrophobicContact CZ3-CB 4.32Å; W96-M185 HydrophobicContact CZ3-CG 4.29Å; W96-M185 HydrophobicContact CZ3-SD 4.42Å; S97-M185 PolarHBondContact N-O 2.86Å; L98-M185 HydrophobicContact CD1-CB 4.37Å; L98-M185 HydrophobicContact CG-CB 4.26Å; W171-M185 HydrophobicContact CD2-CE 4.46Å; W171-M185 VanDerWaalsContact CE2-CE 3.43Å; W171-M185 HydrophobicContact CZ2-CE 3.64Å; W171-M185 HydrophobicContact CZ2-SD 3.62Å
186	D	96.8	Very high	97.8	Very high	2 Å²	2	7.4 Å²	7.4	1%	0.011	3%	0.034	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	130	-170.4	-169.7	-29.8	0	0	0	108.2	Y95 N184 R188 S189	Y95-D186 HydrophobicContact CE2-CB 3.89Å; Y95-D186 WeakPolarHBondContact CE2-OD2 3.44Å; Y95-D186 PolarHBondContact OH-OD2 2.83Å; N184-D186 HydrophobicContact CB-CB 4.1Å; N184-D186 PolarHBondContact O-N 2.94Å; D186-R188 VanDerWaalsContact CG-NE 3.27Å; D186-R188 VanDerWaalsContact CG-NH2 3.34Å; D186-R188 PolarHBondContact O-N 3.49Å; D186-R188 VanDerWaalsContact O-N 3.17Å; D186-R188 WeakPolarHBondContact OD1-CB 3.48Å; D186-R188 IonicContact OD1-CZ 2.66Å; D186-R188 PolarHBondContact OD1-N 2.91Å; D186-R188 IonicContact OD1-NE 2.85Å; D186-R188 PolarHBondContact OD1-NE 3.15Å; D186-R188 IonicContact OD1-NH2 2.74Å; D186-R188 PolarHBondContact OD1-NH2 2.96Å; D186-R188 IonicContact OD2-CZ 3.6Å; D186-R188 IonicContact OD2-NE 3.4Å; D186-R188 PolarHBondContact OD2-NE 3.01Å; D186-R188 IonicContact OD2-NH1 3.52Å; D186-R188 IonicContact OD2-NH2 3.72Å; D186-R188 PolarHBondContact OD2-NH2 2.88Å; D186-S189 WeakPolarHBondContact O-CB 3.27Å; D186-S189 PolarHBondContact O-N 3.02Å
187	W	96	Very high	97.9	Very high	4 Å²	4	3.4 Å²	3.4	2%	0.015	2%	0.016	C	C	.	.	H	α-helix	trans	-58.2	-31.3	178	67.9	-103.6	0	0	0	111.4	S97 L104 A108 T109 S189 L190 T191 Q192 I378	S97-W187 PolarHBondContact O-N 2.99Å; L104-W187 HydrophobicContact CD1-CH2 4.24Å; L104-W187 HydrophobicContact CD1-CZ2 3.9Å; A108-W187 HydrophobicContact CB-CZ3 3.91Å; T109-W187 HydrophobicContact CG2-CD2 3.88Å; T109-W187 HydrophobicContact CG2-CE3 4.11Å; T109-W187 HydrophobicContact CG2-CG 4.31Å; T109-W187 HydrophobicContact CG2-CH2 4.32Å; T109-W187 HydrophobicContact CG2-CZ2 4.13Å; T109-W187 HydrophobicContact CG2-CZ3 4.32Å; W187-S189 VanDerWaalsContact C-N 3.31Å; W187-S189 PolarHBondContact O-N 3.5Å; W187-L190 PolarHBondContact O-N 3.3Å; W187-T191 PolarHBondContact O-N 3.3Å; W187-T191 PolarHBondContact O-OG1 3.03Å; W187-Q192 HydrophobicContact CE3-CG 4.45Å; W187-Q192 HydrophobicContact CH2-CG 4.43Å; W187-Q192 HydrophobicContact CZ3-CG 3.68Å; W187-I378 HydrophobicContact CH2-CD1 4.05Å; W187-I378 HydrophobicContact CH2-CG1 4.29Å; W187-I378 HydrophobicContact CH2-CG2 3.44Å; W187-I378 VanDerWaalsContact CH2-CG2 3.44Å; W187-I378 HydrophobicContact CZ2-CG2 3.96Å; W187-I378 HydrophobicContact CZ3-CD1 4.42Å; W187-I378 HydrophobicContact CZ3-CG2 4.33Å
188	R	95.7	Very high	97.9	Very high	27 Å²	27	3 Å²	3	10%	0.102	1%	0.014	C	C	.	.	H	α-helix	trans	-63.4	-37.3	176.2	-68.8	162.3	-76.3	173	-7.2	111.7	S97 D186 L190 T191 Q192 V193 I378 P379	S97-R188 PolarHBondContact OG-NH2 2.98Å; D186-R188 VanDerWaalsContact CG-NE 3.27Å; D186-R188 VanDerWaalsContact CG-NH2 3.34Å; D186-R188 PolarHBondContact O-N 3.49Å; D186-R188 VanDerWaalsContact O-N 3.17Å; D186-R188 WeakPolarHBondContact OD1-CB 3.48Å; D186-R188 IonicContact OD1-CZ 2.66Å; D186-R188 PolarHBondContact OD1-N 2.91Å; D186-R188 IonicContact OD1-NE 2.85Å; D186-R188 PolarHBondContact OD1-NE 3.15Å; D186-R188 IonicContact OD1-NH2 2.74Å; D186-R188 PolarHBondContact OD1-NH2 2.96Å; D186-R188 IonicContact OD2-CZ 3.6Å; D186-R188 IonicContact OD2-NE 3.4Å; D186-R188 PolarHBondContact OD2-NE 3.01Å; D186-R188 IonicContact OD2-NH1 3.52Å; D186-R188 IonicContact OD2-NH2 3.72Å; D186-R188 PolarHBondContact OD2-NH2 2.88Å; R188-L190 PolarHBondContact O-N 3.47Å; R188-T191 PolarHBondContact O-N 3.05Å; R188-Q192 HydrophobicContact CB-CB 4.37Å; R188-Q192 CarbonylContact O-C 3.47Å; R188-Q192 WeakPolarHBondContact O-CA 3.34Å; R188-Q192 PolarHBondContact O-N 3.14Å; R188-V193 HydrophobicContact CB-CG2 4.15Å; R188-V193 WeakPolarHBondContact O-CB 3.22Å; R188-V193 PolarHBondContact O-N 3.27Å; R188-I378 HydrophobicContact CG-CG2 3.92Å; R188-P379 VanDerWaalsContact CD-O 3.22Å; R188-P379 WeakPolarHBondContact CD-O 3.25Å; R188-P379 PolarHBondContact NH1-O 3Å
189	S	97.7	Very high	97.9	Very high	3 Å²	3	3 Å²	3	2%	0.021	1%	0.014	C	C	.	.	H	α-helix	trans	-62.3	-20	175	-80	0	0	0	0	112.8	S57 N184 D186 W187 E195	S57-S189 WeakPolarHBondContact CB-O 3.32Å; S57-S189 PolarHBondContact OG-O 3.46Å; N184-S189 PolarHBondContact N-OG 2.83Å; N184-S189 VanDerWaalsContact N-OG 3.13Å; N184-S189 WeakPolarHBondContact O-CB 3.25Å; D186-S189 WeakPolarHBondContact O-CB 3.27Å; D186-S189 PolarHBondContact O-N 3.02Å; W187-S189 VanDerWaalsContact C-N 3.31Å; W187-S189 PolarHBondContact O-N 3.5Å; S189-E195 WeakPolarHBondContact CB-OE1 3.45Å; S189-E195 WeakPolarHBondContact O-CG 3.27Å; S189-E195 PolarHBondContact OG-OE1 2.96Å
190	L	97.4	Very high	97.8	Very high	5 Å²	5	3 Å²	3	3%	0.026	1%	0.014	C	C	.	.	H	α-helix	trans	-94.7	-28.2	-179.5	-56.7	-177.8	0	0	0	113.4	T74 Y75 W78 Q111 I115 W187 R188	T74-L190 HydrophobicContact CG2-CD2 4.01Å; Y75-L190 HydrophobicContact CD2-CD1 4.24Å; W78-L190 HydrophobicContact CD2-CD2 4.48Å; W78-L190 HydrophobicContact CE3-CD1 4.28Å; W78-L190 HydrophobicContact CE3-CD2 3.93Å; W78-L190 HydrophobicContact CH2-CD2 4.2Å; W78-L190 HydrophobicContact CZ3-CD1 4.19Å; W78-L190 HydrophobicContact CZ3-CD2 3.78Å; W78-L190 HydrophobicContact CZ3-CG 4.33Å; Q111-L190 HydrophobicContact CB-CB 4.18Å; Q111-L190 HydrophobicContact CB-CD1 4.14Å; Q111-L190 PolarHBondContact OE1-O 3.16Å; I115-L190 HydrophobicContact CG1-CD1 4.13Å; W187-L190 PolarHBondContact O-N 3.3Å; R188-L190 PolarHBondContact O-N 3.47Å
191	T	95.7	Very high	97.7	Very high	3 Å²	3	5 Å²	5	2%	0.018	2%	0.022	C	C	.	.	H	α-helix	trans	-129	-20.8	-171.2	59.7	0	0	0	0	115.3	P59 E60 A108 Q111 W187 R188	P59-T191 CarbonylContact C-O 3.59Å; P59-T191 WeakPolarHBondContact CA-O 3.48Å; E60-T191 WeakPolarHBondContact CG-O 3.3Å; E60-T191 PolarHBondContact N-O 2.72Å; A108-T191 WeakPolarHBondContact O-CG2 3.39Å; A108-T191 PolarHBondContact O-OG1 2.91Å; Q111-T191 HydrophobicContact CB-CG2 4.05Å; Q111-T191 VanDerWaalsContact CD-CG2 3.49Å; Q111-T191 HydrophobicContact CG-CG2 3.87Å; W187-T191 PolarHBondContact O-N 3.3Å; W187-T191 PolarHBondContact O-OG1 3.03Å; R188-T191 PolarHBondContact O-N 3.05Å
192	Q	95.7	Very high	97.6	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	3%	0.026	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.6	-11.3	-170.2	-58	-56.1	-39.4	0	0	114.7	E60 W187 R188 I378 A381 R382	E60-Q192 PolarHBondContact OE2-NE2 2.96Å; W187-Q192 HydrophobicContact CE3-CG 4.45Å; W187-Q192 HydrophobicContact CH2-CG 4.43Å; W187-Q192 HydrophobicContact CZ3-CG 3.68Å; R188-Q192 HydrophobicContact CB-CB 4.37Å; R188-Q192 CarbonylContact O-C 3.47Å; R188-Q192 WeakPolarHBondContact O-CA 3.34Å; R188-Q192 PolarHBondContact O-N 3.14Å; Q192-I378 HydrophobicContact CG-CD1 3.9Å; Q192-A381 HydrophobicContact CB-CB 3.8Å; Q192-R382 WeakPolarHBondContact O-CA 3.34Å; Q192-R382 PolarHBondContact O-N 2.69Å
193	V	98	Very high	97.5	Very high	5 Å²	5	5.9 Å²	5.9	3%	0.03	3%	0.027	C	C	.	.	S	Bend	trans	-118.7	139.4	-177.3	175.6	0	0	0	0	108.5	R188 E195 V383 H385	R188-V193 HydrophobicContact CB-CG2 4.15Å; R188-V193 WeakPolarHBondContact O-CB 3.22Å; R188-V193 PolarHBondContact O-N 3.27Å; V193-E195 HydrophobicContact CB-CG 4.38Å; V193-E195 HydrophobicContact CG1-CG 4.02Å; V193-E195 WeakPolarHBondContact CG1-OE1 3.41Å; V193-E195 PolarHBondContact O-N 3.43Å; V193-V383 HydrophobicContact CB-CG1 4.38Å; V193-V383 HydrophobicContact CG1-CG1 3.74Å; V193-V383 HydrophobicContact CG2-CG1 3.92Å; V193-H385 HydrophobicContact CG1-CB 3.24Å
194	K	98.6	Very high	97.4	Very high	1 Å²	1	9.5 Å²	9.5	0%	0.004	5%	0.05	C	C	.	.	B	Isolated β-bridge	trans	-81	111.9	175	176.4	170.8	168.3	60.1	0	108.7	E56 S57 P59 F366 V368 V383 H385 N386 D456	E56-K194 IonicContact OE1-NZ 3.04Å; E56-K194 PolarHBondContact OE1-NZ 3.25Å; S57-K194 VanDerWaalsContact O-CA 3.25Å; S57-K194 WeakPolarHBondContact O-CA 3.32Å; P59-K194 HydrophobicContact CG-CB 3.93Å; K194-F366 HydrophobicContact CD-CE1 4.01Å; K194-F366 HydrophobicContact CD-CE2 4.47Å; K194-F366 HydrophobicContact CD-CZ 3.89Å; K194-V368 HydrophobicContact CB-CG2 4.47Å; K194-V383 PolarHBondContact N-O 3.07Å; K194-H385 CarbonylContact O-C 3.5Å; K194-H385 WeakPolarHBondContact O-CA 3.03Å; K194-H385 WeakPolarHBondContact O-CB 3.41Å; K194-H385 PolarHBondContact O-N 3.13Å; K194-N386 PolarHBondContact O-OD1 2.94Å; K194-D456 VanDerWaalsContact CE-CG 3.43Å; K194-D456 WeakPolarHBondContact CE-OD2 3.46Å; K194-D456 IonicContact NZ-OD1 3.94Å; K194-D456 PolarHBondContact NZ-OD1 3.42Å; K194-D456 IonicContact NZ-OD2 2.79Å; K194-D456 PolarHBondContact NZ-OD2 3.27Å
195	E	98.8	Very high	97.4	Very high	1 Å²	1	15.1 Å²	15.1	1%	0.005	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	154.8	-177.6	-55.2	-71.8	-171.5	0	0	110.4	E56 S57 S182 A183 S189 V193 H385 N386	E56-E195 VanDerWaalsContact CA-O 3.26Å; E56-E195 WeakPolarHBondContact CA-O 3.47Å; S57-E195 PolarHBondContact N-O 2.84Å; S57-E195 PolarHBondContact O-N 2.93Å; S182-E195 WeakPolarHBondContact CB-OE2 3.36Å; S182-E195 WeakPolarHBondContact OG-CA 3.35Å; S182-E195 WeakPolarHBondContact OG-CB 3.42Å; S182-E195 PolarHBondContact OG-OE2 3.03Å; A183-E195 HydrophobicContact CB-CB 4.04Å; A183-E195 HydrophobicContact CB-CG 3.83Å; A183-E195 PolarHBondContact N-OE2 2.66Å; S189-E195 WeakPolarHBondContact CB-OE1 3.45Å; S189-E195 WeakPolarHBondContact O-CG 3.27Å; S189-E195 PolarHBondContact OG-OE1 2.96Å; V193-E195 HydrophobicContact CB-CG 4.38Å; V193-E195 HydrophobicContact CG1-CG 4.02Å; V193-E195 WeakPolarHBondContact CG1-OE1 3.41Å; V193-E195 PolarHBondContact O-N 3.43Å; E195-H385 IonicContact OE1-CG 2.76Å; E195-H385 IonicContact OE1-ND1 3.74Å; E195-H385 PolarHBondContact OE1-ND1 2.79Å; E195-H385 WeakPolarHBondContact OE2-CB 3.37Å; E195-H385 IonicContact OE2-CE1 3.59Å; E195-H385 IonicContact OE2-CG 3.33Å; E195-H385 IonicContact OE2-ND1 2.68Å; E195-H385 PolarHBondContact OE2-ND1 3.36Å; E195-N386 WeakPolarHBondContact CA-OD1 3.15Å
196	L	98.7	Very high	97.4	Very high	2 Å²	2	15.1 Å²	15.1	1%	0.01	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	142.4	172.9	-174.7	139.8	0	0	0	110.3	V55 E56 G181 S182 N386 Y388 I397 L449 V452	V55-L196 WeakPolarHBondContact O-CA 3.41Å; E56-L196 HydrophobicContact CG-CD1 4.27Å; G181-L196 WeakPolarHBondContact CA-O 3.49Å; S182-L196 PolarHBondContact N-O 3.38Å; S182-L196 PolarHBondContact OG-N 2.99Å; S182-L196 PolarHBondContact OG-O 3.19Å; L196-N386 WeakPolarHBondContact CB-OD1 3.45Å; L196-N386 PolarHBondContact N-OD1 2.84Å; L196-N386 VanDerWaalsContact N-OD1 3.11Å; L196-Y388 HydrophobicContact CB-CD1 4.45Å; L196-Y388 HydrophobicContact CD1-CD1 4.04Å; L196-Y388 HydrophobicContact CD1-CE1 3.9Å; L196-Y388 HydrophobicContact CD2-CD1 3.87Å; L196-Y388 HydrophobicContact CD2-CG 4.29Å; L196-Y388 HydrophobicContact CG-CD1 4.35Å; L196-I397 HydrophobicContact CD2-CD1 4.13Å; L196-I397 HydrophobicContact CD2-CG1 4.13Å; L196-I397 HydrophobicContact CD2-CG2 3.87Å; L196-L449 HydrophobicContact CD1-CD1 3.81Å; L196-L449 HydrophobicContact CD2-CD1 3.88Å; L196-V452 HydrophobicContact CD1-CG1 3.81Å
197	G	98.8	Very high	97.5	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	-169.6	175.1	0	0	0	0	0	112.4	V55 L180	V55-G197 PolarHBondContact N-O 3.09Å; V55-G197 PolarHBondContact O-N 2.79Å; L180-G197 CarbonylContact O-C 3.24Å; L180-G197 WeakPolarHBondContact O-CA 3.28Å
198	V	98.7	Very high	97.6	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	132.2	172	-69.3	0	0	0	0	110.2	V52 I53 L54 Y179 L180 I200 I397 F415 L445	V52-V198 HydrophobicContact CG1-CB 3.9Å; V52-V198 HydrophobicContact CG1-CG1 3.99Å; I53-V198 CarbonylContact O-C 3.42Å; I53-V198 WeakPolarHBondContact O-CA 3.39Å; L54-V198 HydrophobicContact CD2-CG1 4.13Å; Y179-V198 VanDerWaalsContact CA-O 3.31Å; Y179-V198 WeakPolarHBondContact CA-O 3.49Å; Y179-V198 WeakPolarHBondContact CD2-O 3.2Å; L180-V198 HydrophobicContact CB-CG2 4.13Å; L180-V198 PolarHBondContact N-O 2.92Å; L180-V198 VanDerWaalsContact N-O 3.09Å; L180-V198 PolarHBondContact O-N 2.74Å; V198-I200 HydrophobicContact CG2-CD1 4.37Å; V198-I200 HydrophobicContact CG2-CG1 4.25Å; V198-I397 HydrophobicContact CG1-CD1 3.54Å; V198-F415 HydrophobicContact CG1-CD1 4.15Å; V198-F415 HydrophobicContact CG1-CE1 4.38Å; V198-F415 HydrophobicContact CG2-CD1 4.24Å; V198-F415 HydrophobicContact CG2-CG 4.45Å; V198-L445 HydrophobicContact CG1-CD2 4.31Å
199	L	98.4	Very high	97.7	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	122.9	158.7	172.5	66.1	0	0	0	107.3	L44 V52 I53 V55 L72 A77 L80 L81	L44-L199 HydrophobicContact CD1-CD2 4.31Å; V52-L199 CarbonylContact C-O 3.56Å; V52-L199 WeakPolarHBondContact CA-O 3.38Å; I53-L199 PolarHBondContact N-O 3.18Å; I53-L199 PolarHBondContact O-N 3.3Å; V55-L199 HydrophobicContact CG1-CB 3.64Å; L72-L199 HydrophobicContact CD2-CD2 3.79Å; A77-L199 HydrophobicContact CB-CB 4.27Å; A77-L199 HydrophobicContact CB-CD1 4.35Å; A77-L199 HydrophobicContact CB-CD2 4.25Å; L80-L199 HydrophobicContact CD1-CD2 4.12Å; L81-L199 HydrophobicContact CD1-CD1 4.15Å; L81-L199 HydrophobicContact CD2-CD1 3.75Å; L81-L199 HydrophobicContact CG-CD1 3.81Å
200	I	98.2	Very high	97.8	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	122.5	174.1	-59.3	166.3	0	0	0	106.1	V52 N177 G178 V198 C203 I206 M207 L210 F258	V52-I200 HydrophobicContact CG1-CG1 4.32Å; V52-I200 HydrophobicContact CG2-CG1 4.29Å; V52-I200 HydrophobicContact CG2-CG2 4.41Å; N177-I200 CarbonylContact C-O 3.57Å; N177-I200 WeakPolarHBondContact CA-O 3.27Å; G178-I200 PolarHBondContact N-O 2.82Å; G178-I200 PolarHBondContact O-N 3.22Å; V198-I200 HydrophobicContact CG2-CD1 4.37Å; V198-I200 HydrophobicContact CG2-CG1 4.25Å; I200-C203 HydrophobicContact CG2-CB 3.52Å; I200-I206 HydrophobicContact CD1-CG2 4.06Å; I200-I206 HydrophobicContact CG2-CB 4.47Å; I200-I206 HydrophobicContact CG2-CG2 4.13Å; I200-M207 HydrophobicContact CB-SD 3.85Å; I200-M207 HydrophobicContact CD1-SD 3.92Å; I200-M207 HydrophobicContact CG2-CG 3.88Å; I200-M207 HydrophobicContact CG2-SD 3.63Å; I200-L210 HydrophobicContact CD1-CD2 4.03Å; I200-F258 HydrophobicContact CD1-CE1 4.39Å; I200-F258 HydrophobicContact CD1-CZ 3.98Å
201	Y	96.2	Very high	97.9	Very high	42 Å²	42	17.9 Å²	17.9	17%	0.165	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	129	-174.4	-159.8	-89.9	0	0	0	110.2	L44 H51 N177 C203	L44-Y201 HydrophobicContact CB-CD1 3.86Å; L44-Y201 HydrophobicContact CB-CE1 3.75Å; L44-Y201 HydrophobicContact CD1-CD1 4.28Å; L44-Y201 HydrophobicContact CD1-CD2 4.3Å; L44-Y201 HydrophobicContact CD1-CG 4.12Å; L44-Y201 HydrophobicContact CD2-CD1 3.75Å; L44-Y201 HydrophobicContact CD2-CG 3.97Å; L44-Y201 HydrophobicContact CG-CD1 4.17Å; L44-Y201 HydrophobicContact CG-CG 4.43Å; L44-Y201 WeakPolarHBondContact O-CE1 3.49Å; H51-Y201 PolarHBondContact N-O 3.43Å; H51-Y201 PolarHBondContact O-N 3.14Å; N177-Y201 HydrophobicContact CB-CD2 4.08Å; N177-Y201 HydrophobicContact CB-CE2 4.47Å; Y201-C203 VanDerWaalsContact C-N 3.34Å; Y201-C203 PolarHBondContact O-N 3.44Å; Y201-C203 PolarHBondContact O-SG 2.8Å
202	N	95.9	Very high	98	Very high	16 Å²	16	19.4 Å²	19.4	9%	0.086	10%	0.097	C	C	.	.	S	Bend	trans	58.7	40.8	-179.3	-169.8	39.6	0	0	0	114	N48 E49 C50 K176 N177 P204	N48-N202 WeakPolarHBondContact CA-ND2 3.46Å; N48-N202 PolarHBondContact O-ND2 2.81Å; E49-N202 PolarHBondContact N-ND2 2.85Å; E49-N202 WeakPolarHBondContact O-CB 3.18Å; E49-N202 PolarHBondContact O-ND2 2.81Å; C50-N202 WeakPolarHBondContact CA-O 3.13Å; K176-N202 WeakPolarHBondContact CE-OD1 3.38Å; K176-N202 PolarHBondContact NZ-OD1 3.46Å; K176-N202 PolarHBondContact O-N 2.86Å; N177-N202 PolarHBondContact OD1-N 2.87Å; N202-P204 WeakPolarHBondContact O-CD 3.39Å
203	C	97.2	Very high	98.2	Very high	2 Å²	2	19.7 Å²	19.7	1%	0.014	10%	0.099	C	C	.	.			trans	-122.2	68.4	-176.9	-58.3	0	0	0	0	112	C50 H51 K176 I200 Y201 K205 I206 M207	C50-C203 WeakPolarHBondContact CA-SG 3.09Å; C50-C203 HydrophobicContact CB-CB 3.93Å; C50-C203 WeakPolarHBondContact CB-SG 3.17Å; C50-C203 WeakPolarHBondContact SG-CB 3.5Å; C50-C203 CovalentContact SG-SG 2.03Å; C50-C203 PolarHBondContact SG-SG 3.48Å; H51-C203 PolarHBondContact N-SG 2.98Å; H51-C203 VanDerWaalsContact N-SG 3.41Å; H51-C203 PolarHBondContact O-SG 3.46Å; K176-C203 PolarHBondContact O-N 3Å; I200-C203 HydrophobicContact CG2-CB 3.52Å; Y201-C203 VanDerWaalsContact C-N 3.34Å; Y201-C203 PolarHBondContact O-N 3.44Å; Y201-C203 PolarHBondContact O-SG 2.8Å; C203-K205 VanDerWaalsContact C-N 3.3Å; C203-K205 PolarHBondContact O-N 3.08Å; C203-I206 HydrophobicContact CB-CB 3.91Å; C203-I206 HydrophobicContact CB-CD1 3.96Å; C203-I206 HydrophobicContact CB-CG1 4.11Å; C203-I206 PolarHBondContact O-N 3.38Å; C203-I206 VanDerWaalsContact O-N 3.09Å; C203-M207 PolarHBondContact O-N 2.87Å
204	P	96.8	Very high	98.2	Very high	75 Å²	75	19.9 Å²	19.9	49%	0.487	10%	0.099	S	C	.	.	H	α-helix	trans	-58.6	-36.4	-171.9	22.4	-33.6	0	0	0	113.8	N202 D208	N202-P204 WeakPolarHBondContact O-CD 3.39Å; P204-D208 VanDerWaalsContact O-CB 3.25Å; P204-D208 WeakPolarHBondContact O-CB 3.19Å; P204-D208 PolarHBondContact O-N 3.32Å
205	K	97.6	Very high	98.2	Very high	127 Å²	127	24.5 Å²	24.5	55%	0.552	12%	0.116	S	C	*	.	H	α-helix	trans	-69.2	-37.5	177.9	-67.3	-178.8	-179.5	175.3	0	113.2	C203 L245	C203-K205 VanDerWaalsContact C-N 3.3Å; C203-K205 PolarHBondContact O-N 3.08Å; K205-L245 HydrophobicContact CB-CD1 4.43Å; K205-L245 HydrophobicContact CB-CD2 3.86Å; K205-L245 HydrophobicContact CD-CD1 4.37Å
206	I	98.6	Very high	98.2	Very high	2 Å²	2	24.6 Å²	24.6	1%	0.01	12%	0.117	C	C	.	.	H	α-helix	trans	-70.1	-45.9	177.1	-61.7	-178.3	0	0	0	108.9	V52 I200 C203 D209 L210 L245 T247 I249 V256 F258	V52-I206 HydrophobicContact CG2-CD1 4.21Å; I200-I206 HydrophobicContact CD1-CG2 4.06Å; I200-I206 HydrophobicContact CG2-CB 4.47Å; I200-I206 HydrophobicContact CG2-CG2 4.13Å; C203-I206 HydrophobicContact CB-CB 3.91Å; C203-I206 HydrophobicContact CB-CD1 3.96Å; C203-I206 HydrophobicContact CB-CG1 4.11Å; C203-I206 PolarHBondContact O-N 3.38Å; C203-I206 VanDerWaalsContact O-N 3.09Å; I206-D209 PolarHBondContact O-N 3.41Å; I206-L210 PolarHBondContact O-N 2.79Å; I206-L245 HydrophobicContact CG1-CD2 3.78Å; I206-T247 HydrophobicContact CD1-CG2 4.15Å; I206-T247 HydrophobicContact CG1-CG2 4.35Å; I206-I249 HydrophobicContact CD1-CD1 3.72Å; I206-I249 HydrophobicContact CD1-CG1 4.09Å; I206-V256 HydrophobicContact CD1-CG2 4.12Å; I206-V256 HydrophobicContact CG1-CG2 4.12Å; I206-F258 HydrophobicContact CG2-CE2 3.62Å; I206-F258 HydrophobicContact CG2-CZ 3.56Å
207	M	98.6	Very high	98.2	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-71.3	-32.6	-177.5	-70.7	-51.7	-50.3	0	0	113.5	T175 K176 N177 I200 C203 D209 L210 E211	T175-M207 VanDerWaalsContact C-CB 3.47Å; T175-M207 WeakPolarHBondContact O-CB 3.38Å; K176-M207 VanDerWaalsContact C-CG 3.47Å; K176-M207 WeakPolarHBondContact O-CG 3.49Å; N177-M207 WeakPolarHBondContact O-CE 3.12Å; I200-M207 HydrophobicContact CB-SD 3.85Å; I200-M207 HydrophobicContact CD1-SD 3.92Å; I200-M207 HydrophobicContact CG2-CG 3.88Å; I200-M207 HydrophobicContact CG2-SD 3.63Å; C203-M207 PolarHBondContact O-N 2.87Å; M207-D209 VanDerWaalsContact C-N 3.28Å; M207-D209 PolarHBondContact O-N 2.98Å; M207-L210 HydrophobicContact CE-CB 4.32Å; M207-L210 HydrophobicContact CE-CD2 3.91Å; M207-L210 HydrophobicContact CE-CG 4.41Å; M207-L210 PolarHBondContact O-N 2.84Å; M207-L210 HydrophobicContact SD-CD2 4.02Å; M207-E211 WeakPolarHBondContact O-CB 3.4Å; M207-E211 PolarHBondContact O-N 2.8Å
208	D	98.5	Very high	98.1	Very high	79 Å²	79	26 Å²	26	42%	0.422	12%	0.122	S	C	.	.	H	α-helix	trans	-57.6	-42.7	170.4	-179.4	73.6	0	0	0	111.5	T175 P204 K212	T175-D208 HydrophobicContact CG2-CB 4.19Å; P204-D208 VanDerWaalsContact O-CB 3.25Å; P204-D208 WeakPolarHBondContact O-CB 3.19Å; P204-D208 PolarHBondContact O-N 3.32Å; D208-K212 PolarHBondContact O-N 3.2Å
209	D	98.8	Very high	98.1	Very high	3 Å²	3	28.4 Å²	28.4	2%	0.016	14%	0.139	C	C	.	.	H	α-helix	trans	-69.9	-41.7	178.1	-167.7	53.3	0	0	0	112.7	I206 M207 K212 T237 Y239 F258 R270	I206-D209 PolarHBondContact O-N 3.41Å; M207-D209 VanDerWaalsContact C-N 3.28Å; M207-D209 PolarHBondContact O-N 2.98Å; D209-K212 WeakPolarHBondContact O-CB 3.21Å; D209-K212 PolarHBondContact O-N 2.88Å; D209-T237 WeakPolarHBondContact OD1-CB 3.18Å; D209-T237 PolarHBondContact OD1-OG1 2.81Å; D209-Y239 HydrophobicContact CB-CD2 4.05Å; D209-F258 HydrophobicContact CB-CD2 4.48Å; D209-R270 PolarHBondContact O-NH2 3.14Å; D209-R270 VanDerWaalsContact O-NH2 3.13Å; D209-R270 IonicContact OD1-CZ 3.39Å; D209-R270 IonicContact OD1-NH1 3.78Å; D209-R270 IonicContact OD1-NH2 2.74Å; D209-R270 PolarHBondContact OD1-NH2 3.47Å; D209-R270 IonicContact OD2-CZ 3.95Å; D209-R270 IonicContact OD2-NH1 2.8Å; D209-R270 PolarHBondContact OD2-NH1 3.15Å; D209-R270 IonicContact OD2-NH2 3.46Å; D209-R270 PolarHBondContact OD2-NH2 3.23Å
210	L	98.8	Very high	98	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-66.4	-39.5	177.5	-173.8	55.1	0	0	0	112	L170 I200 I206 M207 K212 I213 W214 F258 V413	L170-L210 HydrophobicContact CD1-CD1 3.42Å; L170-L210 VanDerWaalsContact CD1-CD1 3.42Å; L170-L210 HydrophobicContact CD1-CD2 4.33Å; L170-L210 HydrophobicContact CD1-CG 3.75Å; L170-L210 HydrophobicContact CG-CD1 4.27Å; L170-L210 HydrophobicContact CG-CD2 4.32Å; L170-L210 HydrophobicContact CG-CG 4.2Å; I200-L210 HydrophobicContact CD1-CD2 4.03Å; I206-L210 PolarHBondContact O-N 2.79Å; M207-L210 HydrophobicContact CE-CB 4.32Å; M207-L210 HydrophobicContact CE-CD2 3.91Å; M207-L210 HydrophobicContact CE-CG 4.41Å; M207-L210 PolarHBondContact O-N 2.84Å; M207-L210 HydrophobicContact SD-CD2 4.02Å; L210-K212 PolarHBondContact O-N 2.68Å; L210-I213 HydrophobicContact CD1-CD1 4.26Å; L210-I213 WeakPolarHBondContact O-CB 3.32Å; L210-I213 PolarHBondContact O-N 3.31Å; L210-W214 PolarHBondContact O-N 3.41Å; L210-F258 HydrophobicContact CB-CD2 4.17Å; L210-F258 HydrophobicContact CB-CE1 4.43Å; L210-F258 HydrophobicContact CB-CE2 3.75Å; L210-F258 HydrophobicContact CB-CZ 3.89Å; L210-F258 HydrophobicContact CD1-CD1 3.75Å; L210-F258 HydrophobicContact CD1-CD2 4.34Å; L210-F258 HydrophobicContact CD1-CE1 3.78Å; L210-F258 HydrophobicContact CD1-CE2 4.39Å; L210-F258 HydrophobicContact CD1-CG 4.03Å; L210-F258 HydrophobicContact CD1-CZ 4.13Å; L210-F258 HydrophobicContact CD2-CE1 4Å; L210-F258 HydrophobicContact CD2-CZ 3.93Å; L210-F258 HydrophobicContact CG-CE1 4.29Å; L210-F258 HydrophobicContact CG-CE2 4.47Å; L210-F258 HydrophobicContact CG-CZ 4.2Å; L210-V413 HydrophobicContact CD1-CG1 4.14Å
211	E	98.7	Very high	98	Very high	17 Å²	17	28.7 Å²	28.7	8%	0.079	14%	0.141	C	C	.	.	H	α-helix	trans	-60.8	-30.6	178.6	-175.3	66	-169.5	0	0	111.7	S90 S172 T175 M207 I213 W214 R215	S90-E211 PolarHBondContact OG-OE1 2.91Å; S90-E211 VanDerWaalsContact OG-OE1 3.07Å; S172-E211 WeakPolarHBondContact CB-OE2 3.29Å; S172-E211 PolarHBondContact OG-OE2 3.34Å; T175-E211 HydrophobicContact CG2-CB 4.15Å; T175-E211 HydrophobicContact CG2-CG 4.42Å; M207-E211 WeakPolarHBondContact O-CB 3.4Å; M207-E211 PolarHBondContact O-N 2.8Å; E211-I213 VanDerWaalsContact C-N 3.27Å; E211-I213 PolarHBondContact O-N 3.15Å; E211-W214 CarbonylContact O-C 3.51Å; E211-W214 WeakPolarHBondContact O-CB 3.28Å; E211-W214 PolarHBondContact O-N 3.22Å; E211-W214 VanDerWaalsContact O-N 3.14Å; E211-R215 HydrophobicContact CG-CG 4.21Å; E211-R215 WeakPolarHBondContact O-CB 3.2Å; E211-R215 VanDerWaalsContact O-CG 3.31Å; E211-R215 WeakPolarHBondContact O-CG 3.42Å; E211-R215 PolarHBondContact O-N 3.29Å
212	K	98.8	Very high	97.8	Very high	35 Å²	35	29.2 Å²	29.2	15%	0.152	15%	0.147	C	C	.	.	H	α-helix	trans	-59.6	-37.8	174.8	-69.6	171.7	-178.3	-178.7	0	112.4	D208 D209 L210 R215 V216 Q236	D208-K212 PolarHBondContact O-N 3.2Å; D209-K212 WeakPolarHBondContact O-CB 3.21Å; D209-K212 PolarHBondContact O-N 2.88Å; L210-K212 PolarHBondContact O-N 2.68Å; K212-R215 PolarHBondContact O-N 3.02Å; K212-V216 WeakPolarHBondContact O-CG2 3.48Å; K212-V216 PolarHBondContact O-N 3.39Å; K212-Q236 WeakPolarHBondContact CD-O 3.31Å; K212-Q236 WeakPolarHBondContact CE-O 3.39Å; K212-Q236 PolarHBondContact NZ-O 3.23Å
213	I	98.8	Very high	97.2	Very high	7 Å²	7	34 Å²	34	4%	0.036	18%	0.179	C	C	.	.	H	α-helix	trans	-65.9	-44.5	175.8	-58.9	172.7	0	0	0	109.8	L210 E211 R215 V216 Y217 F258 V413	L210-I213 HydrophobicContact CD1-CD1 4.26Å; L210-I213 WeakPolarHBondContact O-CB 3.32Å; L210-I213 PolarHBondContact O-N 3.31Å; E211-I213 VanDerWaalsContact C-N 3.27Å; E211-I213 PolarHBondContact O-N 3.15Å; I213-R215 VanDerWaalsContact C-N 3.32Å; I213-R215 PolarHBondContact O-N 3.49Å; I213-V216 WeakPolarHBondContact O-CB 3.32Å; I213-V216 PolarHBondContact O-N 3.03Å; I213-Y217 HydrophobicContact CG2-CE1 4.4Å; I213-Y217 HydrophobicContact CG2-CE2 3.71Å; I213-Y217 WeakPolarHBondContact O-CD2 3.32Å; I213-Y217 PolarHBondContact O-N 3.41Å; I213-F258 HydrophobicContact CD1-CB 3.83Å; I213-V413 HydrophobicContact CD1-CG1 3.83Å; I213-V413 HydrophobicContact CD1-CG2 4.44Å; I213-V413 HydrophobicContact CG2-CG2 3.69Å
214	W	98.7	Very high	96.7	Very high	9 Å²	9	41 Å²	41	3%	0.034	22%	0.216	C	C	.	.	H	α-helix	trans	-60.6	-40.9	174.2	-179.2	90.1	0	0	0	112.2	S90 I91 K129 L170 L210 E211 V216 Y217 W218	S90-W214 VanDerWaalsContact CB-CE2 3.48Å; I91-W214 PolarHBondContact O-NE1 2.92Å; K129-W214 HydrophobicContact CB-CH2 3.66Å; K129-W214 HydrophobicContact CB-CZ2 3.57Å; K129-W214 HydrophobicContact CD-CH2 4.04Å; K129-W214 HydrophobicContact CG-CH2 4.49Å; L170-W214 HydrophobicContact CD2-CB 4.03Å; L170-W214 HydrophobicContact CD2-CG 4.41Å; L210-W214 PolarHBondContact O-N 3.41Å; E211-W214 CarbonylContact O-C 3.51Å; E211-W214 WeakPolarHBondContact O-CB 3.28Å; E211-W214 PolarHBondContact O-N 3.22Å; E211-W214 VanDerWaalsContact O-N 3.14Å; W214-V216 VanDerWaalsContact C-N 3.35Å; W214-V216 PolarHBondContact O-N 3Å; W214-Y217 WeakPolarHBondContact O-CB 3.46Å; W214-Y217 PolarHBondContact O-N 3.33Å; W214-Y217 VanDerWaalsContact O-N 3.1Å; W214-W218 HydrophobicContact CD2-CB 4.42Å; W214-W218 HydrophobicContact CE3-CB 4.13Å; W214-W218 HydrophobicContact CH2-CB 3.83Å; W214-W218 AromaticContact CH2-CD2 3.42Å; W214-W218 HydrophobicContact CH2-CD2 3.42Å; W214-W218 VanDerWaalsContact CH2-CD2 3.42Å; W214-W218 AromaticContact CH2-CE3 3.68Å; W214-W218 HydrophobicContact CH2-CE3 3.68Å; W214-W218 AromaticContact CH2-CG 3.5Å; W214-W218 HydrophobicContact CH2-CG 3.5Å; W214-W218 VanDerWaalsContact CH2-CG 3.5Å; W214-W218 HydrophobicContact CH2-CZ3 4.45Å; W214-W218 HydrophobicContact CZ2-CB 4.14Å; W214-W218 AromaticContact CZ2-CD2 3.7Å; W214-W218 HydrophobicContact CZ2-CD2 3.7Å; W214-W218 AromaticContact CZ2-CE3 3.42Å; W214-W218 HydrophobicContact CZ2-CE3 3.42Å; W214-W218 VanDerWaalsContact CZ2-CE3 3.42Å; W214-W218 HydrophobicContact CZ2-CG 4.03Å; W214-W218 HydrophobicContact CZ2-CZ3 4.1Å; W214-W218 HydrophobicContact CZ3-CB 3.83Å; W214-W218 HydrophobicContact CZ3-CD2 4.24Å; W214-W218 AromaticContact CZ3-CG 3.83Å; W214-W218 HydrophobicContact CZ3-CG 3.83Å; W214-W218 WeakPolarHBondContact O-CB 3.21Å; W214-W218 PolarHBondContact O-N 2.99Å
215	R	98.5	Very high	96.3	Very high	98 Å²	98	37.8 Å²	37.8	37%	0.37	20%	0.197	S	C	.	.	H	α-helix	trans	-66.1	-33.7	178.5	-72.6	175	67	-159	-2.4	112.9	E211 K212 I213 Y217 W218 S219 L235	E211-R215 HydrophobicContact CG-CG 4.21Å; E211-R215 WeakPolarHBondContact O-CB 3.2Å; E211-R215 VanDerWaalsContact O-CG 3.31Å; E211-R215 WeakPolarHBondContact O-CG 3.42Å; E211-R215 PolarHBondContact O-N 3.29Å; K212-R215 PolarHBondContact O-N 3.02Å; I213-R215 VanDerWaalsContact C-N 3.32Å; I213-R215 PolarHBondContact O-N 3.49Å; R215-Y217 VanDerWaalsContact C-N 3.35Å; R215-W218 PolarHBondContact O-N 3.02Å; R215-S219 WeakPolarHBondContact O-CB 3.43Å; R215-S219 PolarHBondContact O-N 3.36Å; R215-L235 HydrophobicContact CB-CD2 3.58Å
216	V	98.6	Very high	96.1	Very high	3 Å²	3	38.7 Å²	38.7	2%	0.018	20%	0.201	C	C	.	.	H	α-helix	trans	-56.9	-52.4	168.3	163.9	0	0	0	0	109.3	K212 I213 W214 W218 S219 L220 W231 L235 F265 P267	K212-V216 WeakPolarHBondContact O-CG2 3.48Å; K212-V216 PolarHBondContact O-N 3.39Å; I213-V216 WeakPolarHBondContact O-CB 3.32Å; I213-V216 PolarHBondContact O-N 3.03Å; W214-V216 VanDerWaalsContact C-N 3.35Å; W214-V216 PolarHBondContact O-N 3Å; V216-W218 VanDerWaalsContact C-N 3.35Å; V216-W218 PolarHBondContact O-N 3.11Å; V216-S219 PolarHBondContact O-N 2.9Å; V216-L220 HydrophobicContact CG1-CD1 3.91Å; V216-L220 WeakPolarHBondContact O-CG 3.48Å; V216-L220 PolarHBondContact O-N 3.46Å; V216-W231 HydrophobicContact CB-CZ3 4.49Å; V216-W231 HydrophobicContact CG1-CH2 3.66Å; V216-W231 HydrophobicContact CG1-CZ2 4.18Å; V216-W231 HydrophobicContact CG1-CZ3 4.07Å; V216-W231 HydrophobicContact CG2-CE3 4.38Å; V216-W231 HydrophobicContact CG2-CZ3 4.16Å; V216-L235 HydrophobicContact CG2-CB 4.48Å; V216-L235 HydrophobicContact CG2-CD1 3.94Å; V216-F265 HydrophobicContact CG1-CB 4.19Å; V216-F265 WeakPolarHBondContact CG1-O 3.3Å; V216-P267 HydrophobicContact CG2-CG 3.62Å
217	Y	98.6	Very high	96	Very high	1 Å²	1	40 Å²	40	0%	0.004	21%	0.209	C	C	.	.	H	α-helix	trans	-60.3	-47.1	179.7	-57.4	-33.9	0	0	0	111.6	A92 L155 L166 T168 I213 W214 R215 S219 L220 G221 F265 V413	A92-Y217 HydrophobicContact CB-CD2 3.78Å; A92-Y217 HydrophobicContact CB-CE2 4.18Å; L155-Y217 WeakPolarHBondContact CD1-O 3.35Å; L155-Y217 HydrophobicContact CD2-CD1 4.02Å; L155-Y217 HydrophobicContact CD2-CG 4.1Å; L166-Y217 HydrophobicContact CD1-CD1 4.11Å; L166-Y217 HydrophobicContact CD1-CD2 4.01Å; L166-Y217 HydrophobicContact CD1-CE1 3.94Å; L166-Y217 HydrophobicContact CD1-CE2 3.82Å; L166-Y217 HydrophobicContact CD1-CG 4.15Å; T168-Y217 HydrophobicContact CG2-CE2 4.02Å; T168-Y217 PolarHBondContact OG1-OH 3.48Å; T168-Y217 VanDerWaalsContact OG1-OH 3.04Å; I213-Y217 HydrophobicContact CG2-CE1 4.4Å; I213-Y217 HydrophobicContact CG2-CE2 3.71Å; I213-Y217 WeakPolarHBondContact O-CD2 3.32Å; I213-Y217 PolarHBondContact O-N 3.41Å; W214-Y217 WeakPolarHBondContact O-CB 3.46Å; W214-Y217 PolarHBondContact O-N 3.33Å; W214-Y217 VanDerWaalsContact O-N 3.1Å; R215-Y217 VanDerWaalsContact C-N 3.35Å; Y217-S219 VanDerWaalsContact C-N 3.28Å; Y217-S219 PolarHBondContact O-N 3.46Å; Y217-L220 PolarHBondContact O-N 2.74Å; Y217-L220 VanDerWaalsContact O-N 3.16Å; Y217-G221 PolarHBondContact O-N 3.09Å; Y217-F265 HydrophobicContact CD1-CD2 4.28Å; Y217-F265 HydrophobicContact CE1-CD2 4.1Å; Y217-V413 HydrophobicContact CE2-CG2 4.49Å; Y217-V413 WeakPolarHBondContact OH-CG2 3.32Å
218	W	97.9	Very high	95.9	Very high	29 Å²	29	41.6 Å²	41.6	11%	0.11	22%	0.219	C	C	.	.	H	α-helix	trans	-57.5	-40.2	178.2	-170.5	-108.3	0	0	0	112.5	K129 I130 A131 Q151 R153 W214 R215 V216	K129-W218 HydrophobicContact CB-CE3 4.3Å; K129-W218 HydrophobicContact CB-CH2 3.66Å; K129-W218 HydrophobicContact CB-CZ2 4.04Å; K129-W218 HydrophobicContact CB-CZ3 3.8Å; K129-W218 HydrophobicContact CD-CH2 4.3Å; K129-W218 HydrophobicContact CD-CZ2 3.84Å; K129-W218 HydrophobicContact CG-CH2 3.87Å; K129-W218 HydrophobicContact CG-CZ2 3.91Å; I130-W218 WeakPolarHBondContact O-CZ3 3.11Å; A131-W218 HydrophobicContact CB-CE3 4.49Å; Q151-W218 HydrophobicContact CB-CH2 3.86Å; Q151-W218 HydrophobicContact CB-CZ2 4.38Å; R153-W218 HydrophobicContact CB-CE3 3.97Å; R153-W218 HydrophobicContact CB-CH2 4.35Å; R153-W218 HydrophobicContact CB-CZ3 3.82Å; R153-W218 WeakPolarHBondContact CD-O 3.42Å; R153-W218 HydrophobicContact CG-CD2 4.29Å; R153-W218 HydrophobicContact CG-CE3 4.02Å; R153-W218 HydrophobicContact CG-CH2 3.76Å; R153-W218 HydrophobicContact CG-CZ2 4.05Å; R153-W218 HydrophobicContact CG-CZ3 3.73Å; R153-W218 VanDerWaalsContact NH1-CD1 3.32Å; R153-W218 PolarHBondContact NH1-O 3.2Å; W214-W218 HydrophobicContact CD2-CB 4.42Å; W214-W218 HydrophobicContact CE3-CB 4.13Å; W214-W218 HydrophobicContact CH2-CB 3.83Å; W214-W218 AromaticContact CH2-CD2 3.42Å; W214-W218 HydrophobicContact CH2-CD2 3.42Å; W214-W218 VanDerWaalsContact CH2-CD2 3.42Å; W214-W218 AromaticContact CH2-CE3 3.68Å; W214-W218 HydrophobicContact CH2-CE3 3.68Å; W214-W218 AromaticContact CH2-CG 3.5Å; W214-W218 HydrophobicContact CH2-CG 3.5Å; W214-W218 VanDerWaalsContact CH2-CG 3.5Å; W214-W218 HydrophobicContact CH2-CZ3 4.45Å; W214-W218 HydrophobicContact CZ2-CB 4.14Å; W214-W218 AromaticContact CZ2-CD2 3.7Å; W214-W218 HydrophobicContact CZ2-CD2 3.7Å; W214-W218 AromaticContact CZ2-CE3 3.42Å; W214-W218 HydrophobicContact CZ2-CE3 3.42Å; W214-W218 VanDerWaalsContact CZ2-CE3 3.42Å; W214-W218 HydrophobicContact CZ2-CG 4.03Å; W214-W218 HydrophobicContact CZ2-CZ3 4.1Å; W214-W218 HydrophobicContact CZ3-CB 3.83Å; W214-W218 HydrophobicContact CZ3-CD2 4.24Å; W214-W218 AromaticContact CZ3-CG 3.83Å; W214-W218 HydrophobicContact CZ3-CG 3.83Å; W214-W218 WeakPolarHBondContact O-CB 3.21Å; W214-W218 PolarHBondContact O-N 2.99Å; R215-W218 PolarHBondContact O-N 3.02Å; V216-W218 VanDerWaalsContact C-N 3.35Å; V216-W218 PolarHBondContact O-N 3.11Å
219	S	97.3	Very high	95.8	Very high	51 Å²	51	47.4 Å²	47.4	36%	0.357	24%	0.241	S	C	.	.	H	α-helix	trans	-66.5	-44	176.6	-172.9	0	0	0	0	112.3	R215 V216 Y217 G221 N222	R215-S219 WeakPolarHBondContact O-CB 3.43Å; R215-S219 PolarHBondContact O-N 3.36Å; V216-S219 PolarHBondContact O-N 2.9Å; Y217-S219 VanDerWaalsContact C-N 3.28Å; Y217-S219 PolarHBondContact O-N 3.46Å; S219-G221 VanDerWaalsContact C-N 3.33Å; S219-G221 PolarHBondContact O-N 3.05Å; S219-N222 WeakPolarHBondContact O-CB 3.31Å; S219-N222 PolarHBondContact O-N 3.36Å; S219-N222 PolarHBondContact O-ND2 3.25Å
220	L	97.8	Very high	95.6	Very high	1 Å²	1	53.6 Å²	53.6	1%	0.005	27%	0.274	C	S	.	.	H	α-helix	trans	-69.2	-29.6	-179.8	-70	176.6	0	0	0	113.3	L155 L160 V216 Y217 N222 F226 V227 W231 F265	L155-L220 HydrophobicContact CD2-CB 4.42Å; L160-L220 HydrophobicContact CD1-CB 3.95Å; L160-L220 HydrophobicContact CD2-CD2 4.19Å; V216-L220 HydrophobicContact CG1-CD1 3.91Å; V216-L220 WeakPolarHBondContact O-CG 3.48Å; V216-L220 PolarHBondContact O-N 3.46Å; Y217-L220 PolarHBondContact O-N 2.74Å; Y217-L220 VanDerWaalsContact O-N 3.16Å; L220-N222 PolarHBondContact O-N 3.16Å; L220-F226 VanDerWaalsContact CD2-O 3.31Å; L220-F226 WeakPolarHBondContact CD2-O 3.41Å; L220-V227 HydrophobicContact CD2-CG2 4.16Å; L220-W231 HydrophobicContact CD1-CH2 3.93Å; L220-W231 HydrophobicContact CD2-CH2 3.81Å; L220-W231 HydrophobicContact CG-CH2 3.88Å; L220-F265 HydrophobicContact CD1-CD1 3.81Å; L220-F265 HydrophobicContact CD1-CD2 3.67Å; L220-F265 HydrophobicContact CD1-CE1 3.73Å; L220-F265 HydrophobicContact CD1-CE2 3.53Å; L220-F265 HydrophobicContact CD1-CG 3.81Å; L220-F265 HydrophobicContact CD1-CZ 3.59Å
221	G	96.8	Very high	95.6	Very high	5 Å²	5	54.8 Å²	54.8	5%	0.052	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	4	176	0	0	0	0	0	114.9	R153 W154 Y217 S219	R153-G221 WeakPolarHBondContact CB-O 3.46Å; W154-G221 WeakPolarHBondContact O-CA 3.49Å; Y217-G221 PolarHBondContact O-N 3.09Å; S219-G221 VanDerWaalsContact C-N 3.33Å; S219-G221 PolarHBondContact O-N 3.05Å
222	N	91.7	Very high	95.5	Very high	54 Å²	54	56.4 Å²	56.4	29%	0.289	29%	0.291	S	S	.	.	S	Bend	trans	-62.2	145	165.4	-77.7	-52.8	0	0	0	109.8	R153 S219 L220 N224 G225	R153-N222 PolarHBondContact NH1-ND2 3.22Å; R153-N222 PolarHBondContact NH1-OD1 3.29Å; R153-N222 PolarHBondContact NH2-OD1 2.95Å; R153-N222 VanDerWaalsContact NH2-OD1 3.13Å; S219-N222 WeakPolarHBondContact O-CB 3.31Å; S219-N222 PolarHBondContact O-N 3.36Å; S219-N222 PolarHBondContact O-ND2 3.25Å; L220-N222 PolarHBondContact O-N 3.16Å; N222-N224 PolarHBondContact O-N 3Å; N222-N224 VanDerWaalsContact O-N 3.17Å; N222-G225 WeakPolarHBondContact O-CA 3.35Å; N222-G225 PolarHBondContact O-N 2.79Å
223	P	84.9	Confident	95.4	Very high	115 Å²	115	62.3 Å²	62.3	75%	0.747	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-37.1	175.4	-27.9	35.1	0	0	0	113.5
224	N	85.9	Confident	95.4	Very high	149 Å²	149	67.1 Å²	67.1	80%	0.797	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.8	10.9	174.3	-62.7	-21.7	0	0	0	113.1	N222 F226	N222-N224 PolarHBondContact O-N 3Å; N222-N224 VanDerWaalsContact O-N 3.17Å; N224-F226 WeakPolarHBondContact O-CD1 3.29Å
225	G	87.8	Confident	95.4	Very high	8 Å²	8	67.1 Å²	67.1	8%	0.082	34%	0.342	C	S	.	.			trans	-65.7	135.4	-178.7	0	0	0	0	0	110.9	R159 N222	R159-G225 PolarHBondContact NH1-O 3.35Å; R159-G225 PolarHBondContact NH2-O 2.8Å; N222-G225 WeakPolarHBondContact O-CA 3.35Å; N222-G225 PolarHBondContact O-N 2.79Å
226	F	94	Very high	95.4	Very high	146 Å²	146	65.7 Å²	65.7	64%	0.64	34%	0.339	S	S	*	.			trans	-137.5	159.3	175.4	58.2	-88.1	0	0	0	108.4	L220 N224 P228	L220-F226 VanDerWaalsContact CD2-O 3.31Å; L220-F226 WeakPolarHBondContact CD2-O 3.41Å; N224-F226 WeakPolarHBondContact O-CD1 3.29Å; F226-P228 HydrophobicContact CE2-CB 4.35Å; F226-P228 VanDerWaalsContact O-CD 3.29Å; F226-P228 WeakPolarHBondContact O-CD 3.33Å
227	V	96.5	Very high	95.4	Very high	31 Å²	31	66.1 Å²	66.1	19%	0.188	34%	0.342	C	S	.	.			trans	-70.5	115.7	171.2	-175.4	0	0	0	0	108.3	L160 L220 W231 L264 F265	L160-V227 HydrophobicContact CB-CG2 4.46Å; L160-V227 HydrophobicContact CD2-CG2 4.46Å; L220-V227 HydrophobicContact CD2-CG2 4.16Å; V227-W231 HydrophobicContact CG1-CZ2 3.94Å; V227-L264 HydrophobicContact CB-CD1 4.47Å; V227-L264 HydrophobicContact CB-CD2 4.38Å; V227-L264 HydrophobicContact CB-CG 4.23Å; V227-L264 HydrophobicContact CG1-CD1 3.69Å; V227-L264 HydrophobicContact CG1-CD2 4.29Å; V227-L264 HydrophobicContact CG1-CG 3.6Å; V227-L264 WeakPolarHBondContact CG1-O 3Å; V227-L264 HydrophobicContact CG2-CD2 3.9Å; V227-L264 HydrophobicContact CG2-CG 4.03Å; V227-F265 HydrophobicContact CG2-CD1 4Å; V227-F265 HydrophobicContact CG2-CE1 3.57Å
228	P	96.5	Very high	95.3	Very high	32 Å²	32	72.6 Å²	72.6	21%	0.208	37%	0.37	C	S	.	.			trans	-71.6	154	-178.6	32.9	-36.2	0	0	0	110.8	F226 N230 W231	F226-P228 HydrophobicContact CE2-CB 4.35Å; F226-P228 VanDerWaalsContact O-CD 3.29Å; F226-P228 WeakPolarHBondContact O-CD 3.33Å; P228-N230 VanDerWaalsContact C-N 3.27Å; P228-N230 WeakPolarHBondContact CB-O 3.31Å; P228-N230 PolarHBondContact O-N 2.72Å; P228-W231 HydrophobicContact CG-CD2 3.68Å; P228-W231 HydrophobicContact CG-CE3 3.64Å; P228-W231 HydrophobicContact CG-CG 4.23Å; P228-W231 HydrophobicContact CG-CH2 4.2Å; P228-W231 HydrophobicContact CG-CZ2 4.25Å; P228-W231 HydrophobicContact CG-CZ3 3.91Å
229	K	95.5	Very high	95.4	Very high	202 Å²	202	73.1 Å²	73.1	88%	0.878	37%	0.372	S	S	*	.	S	Bend	trans	-61.8	-38.2	171.9	-175.8	178.6	179	-179.3	0	112
230	N	96.4	Very high	95.4	Very high	133 Å²	133	72.2 Å²	72.2	71%	0.711	36%	0.363	S	S	*	.	S	Bend	trans	-128.2	125.2	175.6	-62.3	-48.2	0	0	0	108.6	P228	P228-N230 VanDerWaalsContact C-N 3.27Å; P228-N230 WeakPolarHBondContact CB-O 3.31Å; P228-N230 PolarHBondContact O-N 2.72Å
231	W	97.7	Very high	95.4	Very high	24 Å²	24	77.2 Å²	77.2	9%	0.091	38%	0.382	C	S	.	.			trans	-71.5	141.1	174.7	-73.6	102.7	0	0	0	111.2	V216 L220 V227 P228 L235 L264 P267	V216-W231 HydrophobicContact CB-CZ3 4.49Å; V216-W231 HydrophobicContact CG1-CH2 3.66Å; V216-W231 HydrophobicContact CG1-CZ2 4.18Å; V216-W231 HydrophobicContact CG1-CZ3 4.07Å; V216-W231 HydrophobicContact CG2-CE3 4.38Å; V216-W231 HydrophobicContact CG2-CZ3 4.16Å; L220-W231 HydrophobicContact CD1-CH2 3.93Å; L220-W231 HydrophobicContact CD2-CH2 3.81Å; L220-W231 HydrophobicContact CG-CH2 3.88Å; V227-W231 HydrophobicContact CG1-CZ2 3.94Å; P228-W231 HydrophobicContact CG-CD2 3.68Å; P228-W231 HydrophobicContact CG-CE3 3.64Å; P228-W231 HydrophobicContact CG-CG 4.23Å; P228-W231 HydrophobicContact CG-CH2 4.2Å; P228-W231 HydrophobicContact CG-CZ2 4.25Å; P228-W231 HydrophobicContact CG-CZ3 3.91Å; W231-L235 HydrophobicContact CE3-CD1 3.96Å; W231-L235 HydrophobicContact CZ3-CD1 4.24Å; W231-L264 PolarHBondContact NE1-O 3.47Å; W231-P267 HydrophobicContact CB-CB 3.7Å; W231-P267 HydrophobicContact CB-CG 4.13Å; W231-P267 HydrophobicContact CD2-CG 4.14Å; W231-P267 HydrophobicContact CE3-CG 4.48Å; W231-P267 HydrophobicContact CG-CB 3.95Å; W231-P267 HydrophobicContact CG-CG 3.98Å
232	P	96.8	Very high	95.3	Very high	52 Å²	52	82.1 Å²	82.1	34%	0.338	42%	0.416	S	S	.	.			trans	-55.8	147.1	175.2	-24.5	33.9	0	0	0	113	E234 L235	P232-E234 HydrophobicContact CB-CG 4.45Å; P232-E234 WeakPolarHBondContact CB-OE1 3.35Å; P232-E234 WeakPolarHBondContact CB-OE2 3.43Å; P232-E234 PolarHBondContact O-N 3.03Å; P232-L235 PolarHBondContact O-N 2.91Å; P232-L235 VanDerWaalsContact O-N 3.12Å
233	E	97.6	Very high	95.6	Very high	159 Å²	159	83.6 Å²	83.6	74%	0.743	42%	0.424	S	S	*	.	G	3₁₀ helix	trans	-59.7	-35.8	-176.5	-170.1	178.4	173.9	0	0	112.1	L235 Q236	E233-L235 PolarHBondContact O-N 2.99Å; E233-L235 VanDerWaalsContact O-N 3.14Å; E233-Q236 VanDerWaalsContact O-CB 3.32Å; E233-Q236 WeakPolarHBondContact O-CB 3.19Å; E233-Q236 PolarHBondContact O-N 3.16Å
234	E	97.7	Very high	96.2	Very high	107 Å²	107	78.6 Å²	78.6	50%	0.5	39%	0.391	S	S	.	.	G	3₁₀ helix	trans	-67.3	-14.1	-179.8	72.1	-82.6	-169.8	0	0	114.5	P232	P232-E234 HydrophobicContact CB-CG 4.45Å; P232-E234 WeakPolarHBondContact CB-OE1 3.35Å; P232-E234 WeakPolarHBondContact CB-OE2 3.43Å; P232-E234 PolarHBondContact O-N 3.03Å
235	L	98.3	Very high	96.8	Very high	9 Å²	9	72 Å²	72	5%	0.047	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-97.4	-9.2	174.3	-61.7	-178.5	0	0	0	112.8	R215 V216 W231 P232 E233 P267	R215-L235 HydrophobicContact CB-CD2 3.58Å; V216-L235 HydrophobicContact CG2-CB 4.48Å; V216-L235 HydrophobicContact CG2-CD1 3.94Å; W231-L235 HydrophobicContact CE3-CD1 3.96Å; W231-L235 HydrophobicContact CZ3-CD1 4.24Å; P232-L235 PolarHBondContact O-N 2.91Å; P232-L235 VanDerWaalsContact O-N 3.12Å; E233-L235 PolarHBondContact O-N 2.99Å; E233-L235 VanDerWaalsContact O-N 3.14Å; L235-P267 HydrophobicContact CB-CB 4.2Å; L235-P267 HydrophobicContact CB-CG 3.81Å; L235-P267 WeakPolarHBondContact O-CB 3.2Å; L235-P267 WeakPolarHBondContact O-CG 3.46Å
236	Q	98.4	Very high	97.3	Very high	69 Å²	69	76.1 Å²	76.1	32%	0.322	38%	0.375	S	S	.	.			trans	-69.6	157.7	176.4	-60.6	-177	20.6	0	0	111.3	K212 E233 P267 P268	K212-Q236 WeakPolarHBondContact CD-O 3.31Å; K212-Q236 WeakPolarHBondContact CE-O 3.39Å; K212-Q236 PolarHBondContact NZ-O 3.23Å; E233-Q236 VanDerWaalsContact O-CB 3.32Å; E233-Q236 WeakPolarHBondContact O-CB 3.19Å; E233-Q236 PolarHBondContact O-N 3.16Å; Q236-P267 HydrophobicContact CG-CB 4.44Å; Q236-P268 HydrophobicContact CG-CB 3.91Å; Q236-P268 HydrophobicContact CG-CG 4.02Å
237	T	98.5	Very high	97.3	Very high	12 Å²	12	70.7 Å²	70.7	7%	0.074	35%	0.354	C	S	.	.			trans	-133.5	146.6	174.1	-170.6	0	0	0	0	112	D209 Y239 P268 G269 R270	D209-T237 WeakPolarHBondContact OD1-CB 3.18Å; D209-T237 PolarHBondContact OD1-OG1 2.81Å; T237-Y239 WeakPolarHBondContact CG2-O 3.02Å; T237-Y239 PolarHBondContact OG1-N 2.87Å; T237-P268 PolarHBondContact N-O 3.37Å; T237-G269 WeakPolarHBondContact O-CA 3.08Å; T237-R270 HydrophobicContact CG2-CB 4.18Å
238	K	98	Very high	97.1	Very high	137 Å²	137	73.6 Å²	73.6	60%	0.596	37%	0.368	S	S	*	.	S	Bend	trans	-89.2	-10.5	167.7	67.2	-177.5	-179.9	-179	0	112.4	N243	K238-N243 PolarHBondContact O-ND2 2.99Å
239	Y	98.6	Very high	97	Very high	39 Å²	39	72 Å²	72	15%	0.153	36%	0.358	C	S	.	.			trans	-93.4	117.8	-173.9	-53.5	-55.8	0	0	0	111.3	D209 T237 N243 L245	D209-Y239 HydrophobicContact CB-CD2 4.05Å; T237-Y239 WeakPolarHBondContact CG2-O 3.02Å; T237-Y239 PolarHBondContact OG1-N 2.87Å; Y239-N243 VanDerWaalsContact CA-O 3.27Å; Y239-N243 WeakPolarHBondContact CA-O 3.42Å; Y239-L245 HydrophobicContact CD1-CB 3.62Å; Y239-L245 HydrophobicContact CD1-CD1 4.4Å; Y239-L245 HydrophobicContact CD2-CB 4.38Å; Y239-L245 HydrophobicContact CE1-CB 3.84Å; Y239-L245 HydrophobicContact CE1-CD1 3.72Å; Y239-L245 HydrophobicContact CE1-CG 4.33Å; Y239-L245 HydrophobicContact CE2-CD1 4.47Å; Y239-L245 HydrophobicContact CG-CB 3.92Å
240	N	98.4	Very high	96.8	Very high	32 Å²	32	63.9 Å²	63.9	17%	0.171	32%	0.324	C	S	.	.	S	Bend	trans	-158.5	-179	-176.7	61.9	48.3	0	0	0	110.3	S242 N243 P244 G269 N271	N240-S242 VanDerWaalsContact C-N 3.26Å; N240-S242 PolarHBondContact O-N 3.32Å; N240-S242 PolarHBondContact OD1-N 3.04Å; N240-N243 PolarHBondContact N-O 3.2Å; N240-N243 VanDerWaalsContact N-O 3.07Å; N240-N243 CarbonylContact O-C 3.53Å; N240-N243 PolarHBondContact O-N 2.65Å; N240-N243 VanDerWaalsContact O-N 3.12Å; N240-N243 PolarHBondContact OD1-N 3.43Å; N240-P244 VanDerWaalsContact O-CA 3.22Å; N240-P244 WeakPolarHBondContact O-CA 3.19Å; N240-P244 WeakPolarHBondContact O-CD 3.39Å; N240-G269 VanDerWaalsContact CB-O 3.26Å; N240-G269 WeakPolarHBondContact CB-O 3.38Å; N240-G269 PolarHBondContact ND2-O 2.88Å; N240-N271 VanDerWaalsContact CB-OD1 3.24Å; N240-N271 WeakPolarHBondContact CB-OD1 3.41Å
241	R	96.6	Very high	96.4	Very high	107 Å²	107	59.8 Å²	59.8	40%	0.404	31%	0.314	S	S	.	.	S	Bend	trans	-51.3	-43.1	179.6	175.3	-164.1	148.1	64.9	5.8	113.1	Y257 N271 S279 S283	R241-Y257 HydrophobicContact CB-CE1 4.19Å; R241-Y257 HydrophobicContact CB-CE2 4.15Å; R241-N271 WeakPolarHBondContact CB-OD1 2.71Å; R241-N271 PolarHBondContact N-OD1 3.17Å; R241-S279 WeakPolarHBondContact CD-OG 3.5Å; R241-S279 VanDerWaalsContact NH1-CB 3.26Å; R241-S279 PolarHBondContact NH1-OG 3.09Å; R241-S283 PolarHBondContact NH1-OG 3.26Å
242	S	96.2	Very high	96.1	Very high	108 Å²	108	59.5 Å²	59.5	76%	0.755	31%	0.314	S	S	*	.	S	Bend	trans	-80.4	-25.1	-176.9	-59.3	0	0	0	0	112.5	N240	N240-S242 VanDerWaalsContact C-N 3.26Å; N240-S242 PolarHBondContact O-N 3.32Å; N240-S242 PolarHBondContact OD1-N 3.04Å
243	N	97.7	Very high	95.9	Very high	85 Å²	85	60.8 Å²	60.8	46%	0.455	32%	0.315	S	S	.	.	S	Bend	trans	-137	70.4	178.8	-175.9	44.6	0	0	0	110.6	K238 Y239 N240	K238-N243 PolarHBondContact O-ND2 2.99Å; Y239-N243 VanDerWaalsContact CA-O 3.27Å; Y239-N243 WeakPolarHBondContact CA-O 3.42Å; N240-N243 PolarHBondContact N-O 3.2Å; N240-N243 VanDerWaalsContact N-O 3.07Å; N240-N243 CarbonylContact O-C 3.53Å; N240-N243 PolarHBondContact O-N 2.65Å; N240-N243 VanDerWaalsContact O-N 3.12Å; N240-N243 PolarHBondContact OD1-N 3.43Å
244	P	98	Very high	95.9	Very high	9 Å²	9	53.2 Å²	53.2	6%	0.058	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-72.3	156.8	-177.1	29.2	-34.9	0	0	0	111	N240 I246 R255 Y257	N240-P244 VanDerWaalsContact O-CA 3.22Å; N240-P244 WeakPolarHBondContact O-CA 3.19Å; N240-P244 WeakPolarHBondContact O-CD 3.39Å; P244-I246 PolarHBondContact O-N 3.13Å; P244-R255 HydrophobicContact CB-CB 4.06Å; P244-R255 VanDerWaalsContact CD-NH2 3.34Å; P244-R255 HydrophobicContact CG-CB 3.84Å; P244-R255 HydrophobicContact CG-CG 4.38Å; P244-Y257 HydrophobicContact CB-CD1 4.16Å
245	L	98.1	Very high	95.9	Very high	10 Å²	10	52 Å²	52	5%	0.052	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	118.1	169.5	171.5	60.9	0	0	0	109	K205 I206 Y239 T247 R255 V256	K205-L245 HydrophobicContact CB-CD1 4.43Å; K205-L245 HydrophobicContact CB-CD2 3.86Å; K205-L245 HydrophobicContact CD-CD1 4.37Å; I206-L245 HydrophobicContact CG1-CD2 3.78Å; Y239-L245 HydrophobicContact CD1-CB 3.62Å; Y239-L245 HydrophobicContact CD1-CD1 4.4Å; Y239-L245 HydrophobicContact CD2-CB 4.38Å; Y239-L245 HydrophobicContact CE1-CB 3.84Å; Y239-L245 HydrophobicContact CE1-CD1 3.72Å; Y239-L245 HydrophobicContact CE1-CG 4.33Å; Y239-L245 HydrophobicContact CE2-CD1 4.47Å; Y239-L245 HydrophobicContact CG-CB 3.92Å; L245-T247 HydrophobicContact CD2-CG2 4.36Å; L245-T247 HydrophobicContact CG-CG2 4.26Å; L245-R255 WeakPolarHBondContact O-CA 3.3Å; L245-V256 HydrophobicContact CB-CG2 3.99Å; L245-V256 WeakPolarHBondContact CB-O 3.24Å; L245-V256 HydrophobicContact CD2-CG2 4.14Å; L245-V256 HydrophobicContact CG-CG2 4.22Å; L245-V256 PolarHBondContact N-O 3.1Å; L245-V256 PolarHBondContact O-N 2.88Å
246	I	97.1	Very high	95.9	Very high	95 Å²	95	51.7 Å²	51.7	49%	0.487	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	118.2	171.7	-55	176	0	0	0	108.2	P244 Q253 S254 R255	P244-I246 PolarHBondContact O-N 3.13Å; I246-Q253 HydrophobicContact CG2-CG 4.04Å; I246-S254 WeakPolarHBondContact CA-O 3.41Å; I246-R255 HydrophobicContact CG1-CG 4.49Å
247	T	95.1	Very high	95.9	Very high	32 Å²	32	48.7 Å²	48.7	20%	0.196	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	163.9	-179.9	-161.8	0	0	0	0	111.5	I206 L245 I249 S254	I206-T247 HydrophobicContact CD1-CG2 4.15Å; I206-T247 HydrophobicContact CG1-CG2 4.35Å; L245-T247 HydrophobicContact CD2-CG2 4.36Å; L245-T247 HydrophobicContact CG-CG2 4.26Å; T247-I249 HydrophobicContact CG2-CD1 4.25Å; T247-I249 HydrophobicContact CG2-CG1 3.96Å; T247-S254 PolarHBondContact N-O 3.42Å; T247-S254 PolarHBondContact O-N 2.98Å
248	N	92.7	Very high	95.9	Very high	92 Å²	92	48.2 Å²	48.2	49%	0.492	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	126.1	175.2	-68.8	-9.7	0	0	0	109.2	I252 Q253	N248-I252 WeakPolarHBondContact CA-O 3.17Å; N248-Q253 WeakPolarHBondContact OD1-CA 3.21Å
249	I	93.3	Very high	95.9	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	120.9	176.5	-65.7	176.2	0	0	0	106.8	C50 V52 I206 T247 G251 I252 V256 Y417	C50-I249 WeakPolarHBondContact O-CA 3.45Å; V52-I249 HydrophobicContact CB-CG2 3.57Å; V52-I249 HydrophobicContact CG2-CD1 4.08Å; V52-I249 HydrophobicContact CG2-CG1 4.32Å; V52-I249 HydrophobicContact CG2-CG2 3.66Å; I206-I249 HydrophobicContact CD1-CD1 3.72Å; I206-I249 HydrophobicContact CD1-CG1 4.09Å; T247-I249 HydrophobicContact CG2-CD1 4.25Å; T247-I249 HydrophobicContact CG2-CG1 3.96Å; I249-G251 PolarHBondContact O-N 3.18Å; I249-I252 PolarHBondContact N-O 2.69Å; I249-I252 WeakPolarHBondContact O-CB 3.46Å; I249-I252 PolarHBondContact O-N 2.52Å; I249-V256 HydrophobicContact CD1-CG1 3.46Å; I249-V256 VanDerWaalsContact CD1-CG1 3.46Å; I249-V256 HydrophobicContact CD1-CG2 4.41Å; I249-Y417 HydrophobicContact CB-CE2 4.37Å; I249-Y417 HydrophobicContact CD1-CD2 4.08Å; I249-Y417 HydrophobicContact CD1-CE2 3.99Å; I249-Y417 HydrophobicContact CG2-CE2 4.33Å
250	N	90.8	Very high	95.9	Very high	31 Å²	31	40 Å²	40	17%	0.166	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	42.7	-176	-50.2	-29.9	0	0	0	112.3	C50 H51 V52 I252	C50-N250 PolarHBondContact O-N 2.77Å; H51-N250 WeakPolarHBondContact CA-OD1 3.34Å; H51-N250 PolarHBondContact ND1-OD1 3.18Å; V52-N250 PolarHBondContact N-OD1 3.21Å; V52-N250 VanDerWaalsContact N-OD1 3.08Å; V52-N250 PolarHBondContact O-ND2 3.12Å; N250-I252 PolarHBondContact O-N 2.79Å
251	G	88.4	Confident	95.9	Very high	47 Å²	47	38.5 Å²	38.5	49%	0.485	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.2	0.7	-175.2	0	0	0	0	0	116.2	I249	I249-G251 PolarHBondContact O-N 3.18Å
252	I	91	Very high	96	Very high	18 Å²	18	33.5 Å²	33.5	9%	0.092	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	125.7	-177.1	-58.3	171.4	0	0	0	110.2	N248 I249 N250 S254 E419 P442	N248-I252 WeakPolarHBondContact CA-O 3.17Å; I249-I252 PolarHBondContact N-O 2.69Å; I249-I252 WeakPolarHBondContact O-CB 3.46Å; I249-I252 PolarHBondContact O-N 2.52Å; N250-I252 PolarHBondContact O-N 2.79Å; I252-S254 PolarHBondContact O-N 3.21Å; I252-S254 VanDerWaalsContact O-N 3.15Å; I252-S254 PolarHBondContact O-OG 3.39Å; I252-E419 HydrophobicContact CG2-CG 3.89Å; I252-P442 HydrophobicContact CD1-CB 4.25Å; I252-P442 HydrophobicContact CD1-CG 4.04Å; I252-P442 WeakPolarHBondContact CD1-O 3.41Å; I252-P442 HydrophobicContact CG1-CG 3.89Å
253	Q	94	Very high	96.1	Very high	78 Å²	78	31.8 Å²	31.8	36%	0.364	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	121.1	171.2	-174.1	-180	96.9	0	0	109.3	I246 N248 G420	I246-Q253 HydrophobicContact CG2-CG 4.04Å; N248-Q253 WeakPolarHBondContact OD1-CA 3.21Å; Q253-G420 WeakPolarHBondContact O-CA 3.42Å; Q253-G420 PolarHBondContact O-N 3.28Å
254	S	96	Very high	96.1	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	153.3	-168.6	-59.5	0	0	0	0	110.4	I246 T247 I252 Y417 E418	I246-S254 WeakPolarHBondContact CA-O 3.41Å; T247-S254 PolarHBondContact N-O 3.42Å; T247-S254 PolarHBondContact O-N 2.98Å; I252-S254 PolarHBondContact O-N 3.21Å; I252-S254 VanDerWaalsContact O-N 3.15Å; I252-S254 PolarHBondContact O-OG 3.39Å; S254-Y417 VanDerWaalsContact CB-CE2 3.43Å; S254-Y417 WeakPolarHBondContact OG-CE2 3.37Å; S254-Y417 PolarHBondContact OG-OH 3.3Å; S254-E418 WeakPolarHBondContact CA-O 3.4Å
255	R	97.7	Very high	96.1	Very high	82 Å²	82	31.2 Å²	31.2	31%	0.309	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	121.9	174.8	-55.5	169.2	65.2	79.5	-3.2	107.7	P244 L245 I246 E418	P244-R255 HydrophobicContact CB-CB 4.06Å; P244-R255 VanDerWaalsContact CD-NH2 3.34Å; P244-R255 HydrophobicContact CG-CB 3.84Å; P244-R255 HydrophobicContact CG-CG 4.38Å; L245-R255 WeakPolarHBondContact O-CA 3.3Å; I246-R255 HydrophobicContact CG1-CG 4.49Å; R255-E418 HydrophobicContact CB-CB 4.25Å; R255-E418 PolarHBondContact N-O 2.84Å; R255-E418 IonicContact NE-OE2 2.84Å; R255-E418 PolarHBondContact O-N 3.33Å
256	V	98.4	Very high	96.1	Very high	2 Å²	2	31.8 Å²	31.8	1%	0.012	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	148.2	-176.7	-60.5	0	0	0	0	112.8	I206 L245 I249 F415 V416 Y417	I206-V256 HydrophobicContact CD1-CG2 4.12Å; I206-V256 HydrophobicContact CG1-CG2 4.12Å; L245-V256 HydrophobicContact CB-CG2 3.99Å; L245-V256 WeakPolarHBondContact CB-O 3.24Å; L245-V256 HydrophobicContact CD2-CG2 4.14Å; L245-V256 HydrophobicContact CG-CG2 4.22Å; L245-V256 PolarHBondContact N-O 3.1Å; L245-V256 PolarHBondContact O-N 2.88Å; I249-V256 HydrophobicContact CD1-CG1 3.46Å; I249-V256 VanDerWaalsContact CD1-CG1 3.46Å; I249-V256 HydrophobicContact CD1-CG2 4.41Å; V256-F415 HydrophobicContact CB-CE2 3.83Å; V256-F415 HydrophobicContact CB-CZ 4.27Å; V256-F415 HydrophobicContact CG1-CE2 3.8Å; V256-F415 HydrophobicContact CG1-CZ 3.71Å; V256-V416 VanDerWaalsContact CA-O 3.29Å; V256-V416 WeakPolarHBondContact CA-O 3.39Å; V256-Y417 HydrophobicContact CG1-CD2 3.67Å; V256-Y417 HydrophobicContact CG1-CE2 4.49Å; V256-Y417 HydrophobicContact CG1-CG 4.43Å
257	Y	98.8	Very high	96.1	Very high	7 Å²	7	27.7 Å²	27.7	3%	0.027	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	164.2	167.4	66.4	-82.5	0	0	0	109.9	R241 P244 N271 A276 V416	R241-Y257 HydrophobicContact CB-CE1 4.19Å; R241-Y257 HydrophobicContact CB-CE2 4.15Å; P244-Y257 HydrophobicContact CB-CD1 4.16Å; Y257-N271 HydrophobicContact CE2-CB 4.48Å; Y257-A276 HydrophobicContact CE2-CB 4.01Å; Y257-V416 HydrophobicContact CD1-CB 3.94Å; Y257-V416 HydrophobicContact CD1-CG1 4.3Å; Y257-V416 HydrophobicContact CD2-CB 4.38Å; Y257-V416 HydrophobicContact CD2-CG2 4.35Å; Y257-V416 HydrophobicContact CE1-CB 3.51Å; Y257-V416 HydrophobicContact CE1-CG1 3.49Å; Y257-V416 VanDerWaalsContact CE1-CG1 3.49Å; Y257-V416 HydrophobicContact CE1-CG2 4.15Å; Y257-V416 HydrophobicContact CE2-CB 4Å; Y257-V416 HydrophobicContact CE2-CG2 3.74Å; Y257-V416 HydrophobicContact CG-CB 4.36Å; Y257-V416 PolarHBondContact N-O 3.27Å; Y257-V416 VanDerWaalsContact N-O 3.16Å; Y257-V416 PolarHBondContact O-N 3.14Å
258	F	98.9	Very high	96.3	Very high	2 Å²	2	29.2 Å²	29.2	1%	0.009	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	143.4	171.3	-59.6	-84	0	0	0	110.9	L180 I200 I206 D209 L210 I213 R270 V413 A414 F415	L180-F258 HydrophobicContact CD2-CD1 4.06Å; L180-F258 HydrophobicContact CD2-CE1 4.03Å; I200-F258 HydrophobicContact CD1-CE1 4.39Å; I200-F258 HydrophobicContact CD1-CZ 3.98Å; I206-F258 HydrophobicContact CG2-CE2 3.62Å; I206-F258 HydrophobicContact CG2-CZ 3.56Å; D209-F258 HydrophobicContact CB-CD2 4.48Å; L210-F258 HydrophobicContact CB-CD2 4.17Å; L210-F258 HydrophobicContact CB-CE1 4.43Å; L210-F258 HydrophobicContact CB-CE2 3.75Å; L210-F258 HydrophobicContact CB-CZ 3.89Å; L210-F258 HydrophobicContact CD1-CD1 3.75Å; L210-F258 HydrophobicContact CD1-CD2 4.34Å; L210-F258 HydrophobicContact CD1-CE1 3.78Å; L210-F258 HydrophobicContact CD1-CE2 4.39Å; L210-F258 HydrophobicContact CD1-CG 4.03Å; L210-F258 HydrophobicContact CD1-CZ 4.13Å; L210-F258 HydrophobicContact CD2-CE1 4Å; L210-F258 HydrophobicContact CD2-CZ 3.93Å; L210-F258 HydrophobicContact CG-CE1 4.29Å; L210-F258 HydrophobicContact CG-CE2 4.47Å; L210-F258 HydrophobicContact CG-CZ 4.2Å; I213-F258 HydrophobicContact CD1-CB 3.83Å; F258-R270 WeakPolarHBondContact O-CD 3.38Å; F258-R270 PolarHBondContact O-NH1 3.33Å; F258-V413 HydrophobicContact CD1-CG1 4.44Å; F258-A414 VanDerWaalsContact CA-O 3.22Å; F258-A414 WeakPolarHBondContact CA-O 3.14Å; F258-F415 HydrophobicContact CD1-CB 4.04Å; F258-F415 HydrophobicContact CD1-CD2 4.01Å; F258-F415 HydrophobicContact CE1-CB 3.82Å; F258-F415 AromaticContact CE1-CD2 3.4Å; F258-F415 HydrophobicContact CE1-CD2 3.4Å; F258-F415 HydrophobicContact CE1-CE2 4.33Å; F258-F415 HydrophobicContact CE1-CG 4.03Å; F258-F415 AromaticContact CZ-CD2 3.7Å; F258-F415 HydrophobicContact CZ-CD2 3.7Å; F258-F415 HydrophobicContact CZ-CE2 4.21Å
259	S	98.8	Very high	96.6	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	157.2	167.2	53.8	0	0	0	0	110.2	N271 D273 A276 V413 A414	S259-N271 WeakPolarHBondContact CA-O 3.23Å; S259-D273 WeakPolarHBondContact CB-OD1 3.21Å; S259-D273 PolarHBondContact OG-OD1 2.94Å; S259-A276 VanDerWaalsContact CB-CB 3.46Å; S259-A276 WeakPolarHBondContact OG-CB 3.47Å; S259-V413 WeakPolarHBondContact O-CA 3.41Å; S259-V413 WeakPolarHBondContact O-CG1 3.32Å; S259-A414 PolarHBondContact N-O 2.85Å; S259-A414 PolarHBondContact O-N 2.77Å
260	S	98.8	Very high	96.8	Very high	3 Å²	3	27.5 Å²	27.5	2%	0.021	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	150.1	-175.7	172	0	0	0	0	111.2	N266 N271 D273 G412	S260-N266 WeakPolarHBondContact CB-OD1 3.27Å; S260-N266 PolarHBondContact O-ND2 3.41Å; S260-N266 PolarHBondContact O-OD1 2.83Å; S260-N266 PolarHBondContact OG-OD1 2.91Å; S260-N271 PolarHBondContact N-O 3.38Å; S260-N271 VanDerWaalsContact N-O 3.13Å; S260-D273 PolarHBondContact O-N 3.27Å; S260-G412 CarbonylContact C-O 3.56Å; S260-G412 VanDerWaalsContact CA-O 3.29Å; S260-G412 WeakPolarHBondContact CA-O 3.49Å
261	S	98.6	Very high	97.2	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	157.2	174.5	44.4	0	0	0	0	110	Y406 F407 T410 G411 G412	S261-Y406 PolarHBondContact OG-O 2.83Å; S261-F407 WeakPolarHBondContact CB-O 3.07Å; S261-T410 CarbonylContact C-O 3.49Å; S261-T410 VanDerWaalsContact C-O 3.27Å; S261-T410 WeakPolarHBondContact CB-O 3.11Å; S261-T410 PolarHBondContact OG-O 3.15Å; S261-G411 VanDerWaalsContact O-CA 3.31Å; S261-G411 WeakPolarHBondContact O-CA 3.37Å; S261-G412 PolarHBondContact N-O 2.78Å; S261-G412 PolarHBondContact O-N 3.17Å; S261-G412 WeakPolarHBondContact OG-CA 3.49Å; S261-G412 PolarHBondContact OG-N 2.99Å; S261-G412 PolarHBondContact OG-O 2.85Å
262	P	98.4	Very high	97.6	Very high	2 Å²	2	26.5 Å²	26.5	1%	0.013	15%	0.149	C	C	.	.	S	Bend	cis	-72.2	162.5	-11.3	33.2	-36.5	0	0	0	111.2	F157 V161 L264 F265 L408 T410	F157-P262 HydrophobicContact CE1-CG 4.38Å; V161-P262 HydrophobicContact CG1-CG 4.47Å; V161-P262 HydrophobicContact CG2-CG 4.12Å; P262-L264 PolarHBondContact O-N 3.32Å; P262-F265 HydrophobicContact CG-CB 4.44Å; P262-F265 HydrophobicContact CG-CD1 4.11Å; P262-F265 HydrophobicContact CG-CD2 4.33Å; P262-F265 HydrophobicContact CG-CE1 4.43Å; P262-F265 HydrophobicContact CG-CG 4.04Å; P262-F265 PolarHBondContact O-N 3.45Å; P262-L408 VanDerWaalsContact CB-O 3.3Å; P262-L408 WeakPolarHBondContact CB-O 3.44Å; P262-T410 WeakPolarHBondContact CD-O 3.49Å
263	S	97.5	Very high	98	Very high	73 Å²	73	25.7 Å²	25.7	51%	0.51	15%	0.145	S	C	.	.	G	3₁₀ helix	trans	-54.2	-30.4	179	60.6	0	0	0	0	113.9	F265 N266	S263-F265 PolarHBondContact O-N 3.43Å; S263-N266 WeakPolarHBondContact O-CB 3.36Å; S263-N266 PolarHBondContact O-N 3.35Å
264	L	97.2	Very high	98.2	Very high	81 Å²	81	22.5 Å²	22.5	42%	0.424	13%	0.13	S	C	.	.	G	3₁₀ helix	trans	-57	-29.6	174.8	-173	62.2	0	0	0	113	V161 V227 W231 P262	V161-L264 HydrophobicContact CG2-CD2 4.42Å; V227-L264 HydrophobicContact CB-CD1 4.47Å; V227-L264 HydrophobicContact CB-CD2 4.38Å; V227-L264 HydrophobicContact CB-CG 4.23Å; V227-L264 HydrophobicContact CG1-CD1 3.69Å; V227-L264 HydrophobicContact CG1-CD2 4.29Å; V227-L264 HydrophobicContact CG1-CG 3.6Å; V227-L264 WeakPolarHBondContact CG1-O 3Å; V227-L264 HydrophobicContact CG2-CD2 3.9Å; V227-L264 HydrophobicContact CG2-CG 4.03Å; W231-L264 PolarHBondContact NE1-O 3.47Å; P262-L264 PolarHBondContact O-N 3.32Å
265	F	98	Very high	98.3	Very high	1 Å²	1	26.7 Å²	26.7	0%	0.004	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-91.4	-1.7	-178.6	-72.7	13.9	0	0	0	112.8	F157 L160 V161 V216 Y217 L220 V227 P262 S263 P267	F157-F265 HydrophobicContact CD1-CE2 4.49Å; F157-F265 HydrophobicContact CD1-CZ 4.48Å; F157-F265 HydrophobicContact CE1-CD2 4.42Å; F157-F265 AromaticContact CE1-CE2 3.7Å; F157-F265 HydrophobicContact CE1-CE2 3.7Å; F157-F265 HydrophobicContact CE1-CZ 4.07Å; F157-F265 AromaticContact CE2-CE2 3.71Å; F157-F265 HydrophobicContact CE2-CE2 3.71Å; F157-F265 HydrophobicContact CE2-CZ 4.31Å; F157-F265 AromaticContact CZ-CD2 3.99Å; F157-F265 HydrophobicContact CZ-CD2 3.99Å; F157-F265 AromaticContact CZ-CE2 3.26Å; F157-F265 HydrophobicContact CZ-CE2 3.26Å; F157-F265 AromaticContact CZ-CZ 3.99Å; F157-F265 HydrophobicContact CZ-CZ 3.99Å; L160-F265 HydrophobicContact CB-CE1 4.21Å; L160-F265 HydrophobicContact CB-CZ 3.92Å; L160-F265 HydrophobicContact CD1-CZ 4.08Å; V161-F265 HydrophobicContact CG2-CD1 4.43Å; V161-F265 HydrophobicContact CG2-CE1 3.46Å; V161-F265 VanDerWaalsContact CG2-CE1 3.46Å; V161-F265 HydrophobicContact CG2-CZ 3.52Å; V216-F265 HydrophobicContact CG1-CB 4.19Å; V216-F265 WeakPolarHBondContact CG1-O 3.3Å; Y217-F265 HydrophobicContact CD1-CD2 4.28Å; Y217-F265 HydrophobicContact CE1-CD2 4.1Å; L220-F265 HydrophobicContact CD1-CD1 3.81Å; L220-F265 HydrophobicContact CD1-CD2 3.67Å; L220-F265 HydrophobicContact CD1-CE1 3.73Å; L220-F265 HydrophobicContact CD1-CE2 3.53Å; L220-F265 HydrophobicContact CD1-CG 3.81Å; L220-F265 HydrophobicContact CD1-CZ 3.59Å; V227-F265 HydrophobicContact CG2-CD1 4Å; V227-F265 HydrophobicContact CG2-CE1 3.57Å; P262-F265 HydrophobicContact CG-CB 4.44Å; P262-F265 HydrophobicContact CG-CD1 4.11Å; P262-F265 HydrophobicContact CG-CD2 4.33Å; P262-F265 HydrophobicContact CG-CE1 4.43Å; P262-F265 HydrophobicContact CG-CG 4.04Å; P262-F265 PolarHBondContact O-N 3.45Å; S263-F265 PolarHBondContact O-N 3.43Å; F265-P267 WeakPolarHBondContact O-CD 3.49Å
266	N	98.4	Very high	98.4	Very high	21 Å²	21	22.8 Å²	22.8	11%	0.112	14%	0.138	C	C	.	.			trans	-88.2	114.9	-176.9	-69.3	-16.8	0	0	0	110.7	S260 S263 R270 N271 D272	S260-N266 WeakPolarHBondContact CB-OD1 3.27Å; S260-N266 PolarHBondContact O-ND2 3.41Å; S260-N266 PolarHBondContact O-OD1 2.83Å; S260-N266 PolarHBondContact OG-OD1 2.91Å; S263-N266 WeakPolarHBondContact O-CB 3.36Å; S263-N266 PolarHBondContact O-N 3.35Å; N266-R270 HydrophobicContact CB-CB 4.05Å; N266-R270 HydrophobicContact CB-CG 4.08Å; N266-N271 PolarHBondContact ND2-O 3.08Å; N266-D272 WeakPolarHBondContact ND2-CA 3.33Å
267	P	98.3	Very high	98.4	Very high	9 Å²	9	22.7 Å²	22.7	6%	0.058	14%	0.137	C	C	.	.			trans	-62.4	159.1	166.4	-21.5	36.7	0	0	0	111.1	V216 W231 L235 Q236 F265 G269 R270	V216-P267 HydrophobicContact CG2-CG 3.62Å; W231-P267 HydrophobicContact CB-CB 3.7Å; W231-P267 HydrophobicContact CB-CG 4.13Å; W231-P267 HydrophobicContact CD2-CG 4.14Å; W231-P267 HydrophobicContact CE3-CG 4.48Å; W231-P267 HydrophobicContact CG-CB 3.95Å; W231-P267 HydrophobicContact CG-CG 3.98Å; L235-P267 HydrophobicContact CB-CB 4.2Å; L235-P267 HydrophobicContact CB-CG 3.81Å; L235-P267 WeakPolarHBondContact O-CB 3.2Å; L235-P267 WeakPolarHBondContact O-CG 3.46Å; Q236-P267 HydrophobicContact CG-CB 4.44Å; F265-P267 WeakPolarHBondContact O-CD 3.49Å; P267-G269 PolarHBondContact O-N 3.48Å; P267-R270 WeakPolarHBondContact O-CB 3.42Å; P267-R270 PolarHBondContact O-N 3.06Å; P267-R270 VanDerWaalsContact O-N 3.12Å
268	P	98.1	Very high	98.4	Very high	64 Å²	64	23.9 Å²	23.9	42%	0.416	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-45	134.1	175.6	-30.9	32.7	0	0	0	113.8	Q236 T237 R270	Q236-P268 HydrophobicContact CG-CB 3.91Å; Q236-P268 HydrophobicContact CG-CG 4.02Å; T237-P268 PolarHBondContact N-O 3.37Å; P268-R270 VanDerWaalsContact C-N 3.34Å; P268-R270 PolarHBondContact O-N 2.98Å
269	G	98.2	Very high	98.4	Very high	36 Å²	36	24.2 Å²	24.2	37%	0.371	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	87	-17.3	179.5	0	0	0	0	0	115.5	T237 N240 P267	T237-G269 WeakPolarHBondContact O-CA 3.08Å; N240-G269 VanDerWaalsContact CB-O 3.26Å; N240-G269 WeakPolarHBondContact CB-O 3.38Å; N240-G269 PolarHBondContact ND2-O 2.88Å; P267-G269 PolarHBondContact O-N 3.48Å
270	R	98.7	Very high	98.4	Very high	20 Å²	20	24.3 Å²	24.3	8%	0.075	15%	0.147	C	C	.	.	P	Polyproline II helix	trans	-73.8	129.1	172.7	179.2	62.8	64.7	-150.8	-3.2	110.3	D209 T237 F258 N266 P267 P268	D209-R270 PolarHBondContact O-NH2 3.14Å; D209-R270 VanDerWaalsContact O-NH2 3.13Å; D209-R270 IonicContact OD1-CZ 3.39Å; D209-R270 IonicContact OD1-NH1 3.78Å; D209-R270 IonicContact OD1-NH2 2.74Å; D209-R270 PolarHBondContact OD1-NH2 3.47Å; D209-R270 IonicContact OD2-CZ 3.95Å; D209-R270 IonicContact OD2-NH1 2.8Å; D209-R270 PolarHBondContact OD2-NH1 3.15Å; D209-R270 IonicContact OD2-NH2 3.46Å; D209-R270 PolarHBondContact OD2-NH2 3.23Å; T237-R270 HydrophobicContact CG2-CB 4.18Å; F258-R270 WeakPolarHBondContact O-CD 3.38Å; F258-R270 PolarHBondContact O-NH1 3.33Å; N266-R270 HydrophobicContact CB-CB 4.05Å; N266-R270 HydrophobicContact CB-CG 4.08Å; P267-R270 WeakPolarHBondContact O-CB 3.42Å; P267-R270 PolarHBondContact O-N 3.06Å; P267-R270 VanDerWaalsContact O-N 3.12Å; P268-R270 VanDerWaalsContact C-N 3.34Å; P268-R270 PolarHBondContact O-N 2.98Å
271	N	98.2	Very high	98.4	Very high	31 Å²	31	24.1 Å²	24.1	17%	0.166	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	138.1	173.1	-90.8	113.1	0	0	0	111.7	N240 R241 Y257 S259 S260 N266 A276	N240-N271 VanDerWaalsContact CB-OD1 3.24Å; N240-N271 WeakPolarHBondContact CB-OD1 3.41Å; R241-N271 WeakPolarHBondContact CB-OD1 2.71Å; R241-N271 PolarHBondContact N-OD1 3.17Å; Y257-N271 HydrophobicContact CE2-CB 4.48Å; S259-N271 WeakPolarHBondContact CA-O 3.23Å; S260-N271 PolarHBondContact N-O 3.38Å; S260-N271 VanDerWaalsContact N-O 3.13Å; N266-N271 PolarHBondContact ND2-O 3.08Å; N271-A276 HydrophobicContact CB-CB 4.42Å
272	D	98.4	Very high	98.4	Very high	27 Å²	27	27.9 Å²	27.9	14%	0.144	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	141.5	160.1	-166.4	8.6	0	0	0	110.3	N266 I274 D275 A276	N266-D272 WeakPolarHBondContact ND2-CA 3.33Å; D272-I274 WeakPolarHBondContact OD2-CG2 3.17Å; D272-D275 HydrophobicContact CB-CB 4.32Å; D272-D275 PolarHBondContact O-N 3.14Å; D272-A276 PolarHBondContact O-N 3.46Å
273	D	98.5	Very high	98.4	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-69	-37.2	-171.1	-158.9	24	0	0	0	112.2	S259 S260 A276 L277 Y396 F407 A414	S259-D273 WeakPolarHBondContact CB-OD1 3.21Å; S259-D273 PolarHBondContact OG-OD1 2.94Å; S260-D273 PolarHBondContact O-N 3.27Å; D273-A276 PolarHBondContact O-N 2.97Å; D273-L277 WeakPolarHBondContact O-CB 3.44Å; D273-L277 PolarHBondContact O-N 2.82Å; D273-Y396 PolarHBondContact OD1-OH 3.4Å; D273-Y396 PolarHBondContact OD2-OH 3.03Å; D273-F407 HydrophobicContact CB-CD1 4.14Å; D273-A414 WeakPolarHBondContact OD1-CB 3.45Å
274	I	98.7	Very high	98.4	Very high	12 Å²	12	26.3 Å²	26.3	6%	0.062	16%	0.155	C	C	.	.	H	α-helix	trans	-65.5	-40.2	173.9	-173.9	54.6	0	0	0	111.7	D272 A276 L277 L278 W311 V313 I314 F407	D272-I274 WeakPolarHBondContact OD2-CG2 3.17Å; I274-A276 PolarHBondContact O-N 3.46Å; I274-L277 HydrophobicContact CD1-CD2 4.45Å; I274-L277 PolarHBondContact O-N 3.09Å; I274-L278 HydrophobicContact CD1-CD1 4.32Å; I274-L278 HydrophobicContact CD1-CG 4.04Å; I274-L278 HydrophobicContact CG1-CD1 4.04Å; I274-L278 HydrophobicContact CG1-CG 4.25Å; I274-L278 WeakPolarHBondContact O-CB 3.35Å; I274-L278 VanDerWaalsContact O-CG 3.23Å; I274-L278 WeakPolarHBondContact O-CG 3.25Å; I274-L278 PolarHBondContact O-N 2.86Å; I274-W311 HydrophobicContact CD1-CH2 3.58Å; I274-W311 HydrophobicContact CD1-CZ2 4.31Å; I274-W311 HydrophobicContact CD1-CZ3 4.49Å; I274-W311 HydrophobicContact CG1-CH2 3.85Å; I274-W311 HydrophobicContact CG1-CZ2 4.09Å; I274-V313 HydrophobicContact CD1-CG1 4.02Å; I274-V313 HydrophobicContact CG1-CG1 4Å; I274-I314 HydrophobicContact CD1-CD1 4.08Å; I274-I314 HydrophobicContact CD1-CG1 3.71Å; I274-F407 HydrophobicContact CB-CB 3.96Å; I274-F407 HydrophobicContact CB-CD1 3.93Å; I274-F407 HydrophobicContact CB-CG 4.03Å; I274-F407 HydrophobicContact CD1-CD1 4.39Å; I274-F407 HydrophobicContact CD1-CD2 4.44Å; I274-F407 HydrophobicContact CD1-CG 4.3Å
275	D	98.5	Very high	98.5	Very high	88 Å²	88	28.2 Å²	28.2	47%	0.471	16%	0.162	S	C	.	.	H	α-helix	trans	-65.7	-41.5	178.7	-73	-20	0	0	0	111.4	D272 S279	D272-D275 HydrophobicContact CB-CB 4.32Å; D272-D275 PolarHBondContact O-N 3.14Å; D275-S279 VanDerWaalsContact O-CB 3.27Å; D275-S279 WeakPolarHBondContact O-CB 3.43Å; D275-S279 PolarHBondContact O-N 2.94Å
276	A	98.7	Very high	98.5	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-60.6	-49	174.9	0	0	0	0	0	111.4	Y257 S259 N271 D272 D273 I274 S279 V280	Y257-A276 HydrophobicContact CE2-CB 4.01Å; S259-A276 VanDerWaalsContact CB-CB 3.46Å; S259-A276 WeakPolarHBondContact OG-CB 3.47Å; N271-A276 HydrophobicContact CB-CB 4.42Å; D272-A276 PolarHBondContact O-N 3.46Å; D273-A276 PolarHBondContact O-N 2.97Å; I274-A276 PolarHBondContact O-N 3.46Å; A276-S279 VanDerWaalsContact O-CB 3.31Å; A276-S279 WeakPolarHBondContact O-CB 3.31Å; A276-S279 PolarHBondContact O-N 3.39Å; A276-S279 PolarHBondContact O-OG 2.81Å; A276-V280 WeakPolarHBondContact O-CG2 3.49Å; A276-V280 PolarHBondContact O-N 2.87Å; A276-V280 VanDerWaalsContact O-N 3.09Å
277	L	98.8	Very high	98.5	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-58.7	-49.2	177.9	-177.3	156.4	0	0	0	111.8	D273 I274 S279 V280 I281 I314 M389 Y396 W402 F407	D273-L277 WeakPolarHBondContact O-CB 3.44Å; D273-L277 PolarHBondContact O-N 2.82Å; I274-L277 HydrophobicContact CD1-CD2 4.45Å; I274-L277 PolarHBondContact O-N 3.09Å; L277-S279 VanDerWaalsContact C-N 3.27Å; L277-S279 PolarHBondContact O-N 2.94Å; L277-V280 PolarHBondContact O-N 3.01Å; L277-V280 VanDerWaalsContact O-N 3.15Å; L277-I281 HydrophobicContact CD2-CD1 3.54Å; L277-I281 HydrophobicContact CD2-CG1 4.37Å; L277-I281 PolarHBondContact O-N 2.96Å; L277-I281 VanDerWaalsContact O-N 3.1Å; L277-I314 HydrophobicContact CD1-CD1 4.09Å; L277-I314 HydrophobicContact CD2-CD1 4.05Å; L277-I314 HydrophobicContact CD2-CG1 3.94Å; L277-I314 HydrophobicContact CD2-CG2 4Å; L277-M389 HydrophobicContact CG-CE 4.23Å; L277-Y396 HydrophobicContact CB-CE2 4.07Å; L277-Y396 HydrophobicContact CD1-CE1 4.35Å; L277-W402 HydrophobicContact CD1-CD2 4.15Å; L277-W402 HydrophobicContact CD1-CH2 4.06Å; L277-W402 HydrophobicContact CD1-CZ2 3.64Å; L277-W402 HydrophobicContact CD1-CZ3 4.49Å; L277-W402 HydrophobicContact CD2-CH2 4.49Å; L277-W402 HydrophobicContact CG-CH2 4.33Å; L277-W402 HydrophobicContact CG-CZ2 4.28Å; L277-F407 HydrophobicContact CD1-CE1 3.84Å; L277-F407 HydrophobicContact CD1-CZ 3.58Å
278	L	98.9	Very high	98.5	Very high	31 Å²	31	34.9 Å²	34.9	16%	0.162	19%	0.189	C	C	.	.	H	α-helix	trans	-61.6	-37.6	177.7	-71.4	176.1	0	0	0	111.9	I274 V280 I281 N282 V313 A317	I274-L278 HydrophobicContact CD1-CD1 4.32Å; I274-L278 HydrophobicContact CD1-CG 4.04Å; I274-L278 HydrophobicContact CG1-CD1 4.04Å; I274-L278 HydrophobicContact CG1-CG 4.25Å; I274-L278 WeakPolarHBondContact O-CB 3.35Å; I274-L278 VanDerWaalsContact O-CG 3.23Å; I274-L278 WeakPolarHBondContact O-CG 3.25Å; I274-L278 PolarHBondContact O-N 2.86Å; L278-V280 VanDerWaalsContact C-N 3.32Å; L278-V280 PolarHBondContact O-N 3.33Å; L278-I281 PolarHBondContact O-N 2.72Å; L278-N282 VanDerWaalsContact O-CB 3.29Å; L278-N282 WeakPolarHBondContact O-CB 3.18Å; L278-N282 PolarHBondContact O-N 3.38Å; L278-N282 PolarHBondContact O-ND2 2.91Å; L278-V313 HydrophobicContact CD1-CG1 3.66Å; L278-V313 HydrophobicContact CD2-CG1 4.03Å; L278-V313 HydrophobicContact CG-CG1 4.28Å; L278-A317 HydrophobicContact CD2-CB 3.49Å; L278-A317 VanDerWaalsContact CD2-CB 3.49Å
279	S	98.6	Very high	98.6	Very high	10 Å²	10	32 Å²	32	7%	0.07	17%	0.17	C	C	.	.	H	α-helix	trans	-59.7	-43.6	175	127.1	0	0	0	0	111.9	R241 D275 A276 L277 N282 S283	R241-S279 WeakPolarHBondContact CD-OG 3.5Å; R241-S279 VanDerWaalsContact NH1-CB 3.26Å; R241-S279 PolarHBondContact NH1-OG 3.09Å; D275-S279 VanDerWaalsContact O-CB 3.27Å; D275-S279 WeakPolarHBondContact O-CB 3.43Å; D275-S279 PolarHBondContact O-N 2.94Å; A276-S279 VanDerWaalsContact O-CB 3.31Å; A276-S279 WeakPolarHBondContact O-CB 3.31Å; A276-S279 PolarHBondContact O-N 3.39Å; A276-S279 PolarHBondContact O-OG 2.81Å; L277-S279 VanDerWaalsContact C-N 3.27Å; L277-S279 PolarHBondContact O-N 2.94Å; S279-N282 PolarHBondContact O-N 3.34Å; S279-S283 WeakPolarHBondContact O-CB 3.31Å; S279-S283 PolarHBondContact O-N 3.43Å; S279-S283 PolarHBondContact O-OG 3.06Å
280	V	98.8	Very high	98.6	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.006	15%	0.152	C	C	.	.	H	α-helix	trans	-64.4	-43.2	178.1	175.6	0	0	0	0	110.8	A276 L277 L278 S283 A284 M389 T391 T394 V416	A276-V280 WeakPolarHBondContact O-CG2 3.49Å; A276-V280 PolarHBondContact O-N 2.87Å; A276-V280 VanDerWaalsContact O-N 3.09Å; L277-V280 PolarHBondContact O-N 3.01Å; L277-V280 VanDerWaalsContact O-N 3.15Å; L278-V280 VanDerWaalsContact C-N 3.32Å; L278-V280 PolarHBondContact O-N 3.33Å; V280-S283 PolarHBondContact O-N 3.16Å; V280-A284 PolarHBondContact O-N 2.82Å; V280-M389 HydrophobicContact CB-CE 3.61Å; V280-M389 HydrophobicContact CG1-CE 3.43Å; V280-M389 VanDerWaalsContact CG1-CE 3.43Å; V280-M389 HydrophobicContact CG1-SD 4.2Å; V280-T391 HydrophobicContact CG1-CG2 3.66Å; V280-T394 HydrophobicContact CG1-CG2 4.07Å; V280-T394 HydrophobicContact CG2-CG2 3.73Å; V280-V416 HydrophobicContact CG2-CG1 4.05Å
281	I	98.9	Very high	98.6	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-60.1	-46.7	174.6	-69.2	173.7	0	0	0	111.1	L277 L278 S283 A284 I288 I314 A317 L318 A321 R325 M389	L277-I281 HydrophobicContact CD2-CD1 3.54Å; L277-I281 HydrophobicContact CD2-CG1 4.37Å; L277-I281 PolarHBondContact O-N 2.96Å; L277-I281 VanDerWaalsContact O-N 3.1Å; L278-I281 PolarHBondContact O-N 2.72Å; I281-S283 VanDerWaalsContact C-N 3.33Å; I281-S283 PolarHBondContact O-N 3.03Å; I281-A284 PolarHBondContact O-N 3.42Å; I281-I288 HydrophobicContact CB-CD1 4.47Å; I281-I288 HydrophobicContact CG2-CD1 3.95Å; I281-I314 HydrophobicContact CD1-CG2 3.99Å; I281-A317 HydrophobicContact CD1-CB 4.21Å; I281-A317 HydrophobicContact CG2-CB 3.81Å; I281-L318 HydrophobicContact CD1-CD2 3.76Å; I281-L318 HydrophobicContact CD1-CG 4.24Å; I281-L318 HydrophobicContact CG1-CD2 4.12Å; I281-L318 HydrophobicContact CG2-CD2 4.28Å; I281-A321 HydrophobicContact CG2-CB 4.24Å; I281-R325 PolarHBondContact O-NH2 3.32Å; I281-M389 HydrophobicContact CD1-SD 4.47Å; I281-M389 HydrophobicContact CG1-CE 4Å; I281-M389 HydrophobicContact CG1-SD 3.67Å
282	N	98.7	Very high	98.7	Very high	79 Å²	79	27.9 Å²	27.9	42%	0.422	14%	0.141	S	C	.	.	H	α-helix	trans	-72.5	-25.9	-175	-71.5	-33.4	0	0	0	113.1	L278 S279	L278-N282 VanDerWaalsContact O-CB 3.29Å; L278-N282 WeakPolarHBondContact O-CB 3.18Å; L278-N282 PolarHBondContact O-N 3.38Å; L278-N282 PolarHBondContact O-ND2 2.91Å; S279-N282 PolarHBondContact O-N 3.34Å
283	S	98	Very high	98.6	Very high	40 Å²	40	27.2 Å²	27.2	28%	0.28	14%	0.137	S	C	.	.	H	α-helix	trans	-86.9	-13.2	178.7	-68	0	0	0	0	114.4	R241 S279 V280 I281 K393	R241-S283 PolarHBondContact NH1-OG 3.26Å; S279-S283 WeakPolarHBondContact O-CB 3.31Å; S279-S283 PolarHBondContact O-N 3.43Å; S279-S283 PolarHBondContact O-OG 3.06Å; V280-S283 PolarHBondContact O-N 3.16Å; I281-S283 VanDerWaalsContact C-N 3.33Å; I281-S283 PolarHBondContact O-N 3.03Å; S283-K393 WeakPolarHBondContact O-CD 3.27Å; S283-K393 PolarHBondContact O-NZ 3.01Å
284	A	98.6	Very high	98.6	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.008	14%	0.143	C	C	.	.			trans	-65.4	140.6	175.7	0	0	0	0	0	112.2	V280 I281 I288 R325 V327 T391	V280-A284 PolarHBondContact O-N 2.82Å; I281-A284 PolarHBondContact O-N 3.42Å; A284-I288 HydrophobicContact CB-CD1 3.97Å; A284-I288 HydrophobicContact CB-CG1 3.52Å; A284-R325 PolarHBondContact O-NE 2.76Å; A284-V327 HydrophobicContact CB-CG1 4.3Å; A284-T391 HydrophobicContact CB-CG2 3.83Å
285	E	98.1	Very high	98.5	Very high	122 Å²	122	27.8 Å²	27.8	57%	0.57	14%	0.14	S	C	*	.	S	Bend	trans	-118.1	-30.2	-178.2	-74.9	176.2	-171.4	0	0	113.3	D392 K393	E285-D392 PolarHBondContact N-OD1 2.84Å; E285-K393 VanDerWaalsContact CD-CE 3.45Å; E285-K393 IonicContact OE1-NZ 3.49Å; E285-K393 PolarHBondContact OE1-NZ 3.05Å; E285-K393 IonicContact OE2-NZ 3.79Å
286	K	98.6	Very high	98.5	Very high	150 Å²	150	23.7 Å²	23.7	65%	0.652	12%	0.118	S	C	*	.	S	Bend	trans	-114.6	-49.1	-174.6	-58.9	178.6	-178.3	174.9	0	112.5	E328 D392	K286-E328 PolarHBondContact O-N 3.35Å; K286-D392 HydrophobicContact CB-CB 3.93Å; K286-D392 HydrophobicContact CD-CB 4.23Å; K286-D392 HydrophobicContact CG-CB 4.27Å; K286-D392 PolarHBondContact N-OD1 3.13Å
287	F	98.8	Very high	98.5	Very high	20 Å²	20	23.9 Å²	23.9	9%	0.088	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	155.6	-178.6	67.3	-97.5	0	0	0	113	Y289 E328 T391 D392 E450	F287-Y289 HydrophobicContact CB-CD1 4.11Å; F287-Y289 HydrophobicContact CB-CE1 3.55Å; F287-Y289 HydrophobicContact CB-CE2 4.46Å; F287-Y289 HydrophobicContact CD1-CE2 4.5Å; F287-Y289 AromaticContact CD2-CD1 3.83Å; F287-Y289 HydrophobicContact CD2-CD1 3.83Å; F287-Y289 AromaticContact CD2-CD2 3.5Å; F287-Y289 HydrophobicContact CD2-CD2 3.5Å; F287-Y289 VanDerWaalsContact CD2-CD2 3.5Å; F287-Y289 AromaticContact CD2-CE1 3.85Å; F287-Y289 HydrophobicContact CD2-CE1 3.85Å; F287-Y289 AromaticContact CD2-CE2 3.51Å; F287-Y289 HydrophobicContact CD2-CE2 3.51Å; F287-Y289 AromaticContact CD2-CG 3.66Å; F287-Y289 HydrophobicContact CD2-CG 3.66Å; F287-Y289 AromaticContact CD2-CZ 3.68Å; F287-Y289 AromaticContact CE2-CD2 3.66Å; F287-Y289 HydrophobicContact CE2-CD2 3.66Å; F287-Y289 AromaticContact CE2-CE2 3.78Å; F287-Y289 HydrophobicContact CE2-CE2 3.78Å; F287-Y289 HydrophobicContact CE2-CG 4.18Å; F287-Y289 HydrophobicContact CG-CD1 4.32Å; F287-Y289 HydrophobicContact CG-CD2 4.34Å; F287-Y289 AromaticContact CG-CE1 3.9Å; F287-Y289 HydrophobicContact CG-CE1 3.9Å; F287-Y289 AromaticContact CG-CE2 3.92Å; F287-Y289 HydrophobicContact CG-CE2 3.92Å; F287-Y289 AromaticContact CG-CZ 3.67Å; F287-Y289 HydrophobicContact CZ-CE2 4.38Å; F287-E328 CarbonylContact C-O 3.57Å; F287-E328 WeakPolarHBondContact CA-O 3.28Å; F287-E328 HydrophobicContact CB-CB 4.07Å; F287-T391 WeakPolarHBondContact CE2-O 3.47Å; F287-T391 VanDerWaalsContact CZ-C 3.46Å; F287-T391 WeakPolarHBondContact CZ-O 3.4Å; F287-T391 VanDerWaalsContact O-CA 3.24Å; F287-T391 WeakPolarHBondContact O-CA 3.36Å; F287-T391 WeakPolarHBondContact O-CB 3.48Å; F287-D392 HydrophobicContact CD1-CB 4.05Å; F287-D392 HydrophobicContact CE1-CB 3.75Å; F287-D392 HydrophobicContact CZ-CB 4.26Å; F287-E450 HydrophobicContact CE2-CG 4.2Å; F287-E450 HydrophobicContact CZ-CG 3.94Å
288	I	98.9	Very high	98.4	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	111.1	169.6	-64.7	159.3	0	0	0	107.1	I281 A284 I290 L318 A321 V327 E328 V329 R330 M389 T391	I281-I288 HydrophobicContact CB-CD1 4.47Å; I281-I288 HydrophobicContact CG2-CD1 3.95Å; A284-I288 HydrophobicContact CB-CD1 3.97Å; A284-I288 HydrophobicContact CB-CG1 3.52Å; I288-I290 HydrophobicContact CG2-CD1 3.65Å; I288-I290 HydrophobicContact CG2-CG1 3.83Å; I288-L318 HydrophobicContact CD1-CD2 4.41Å; I288-L318 HydrophobicContact CG2-CD2 4Å; I288-A321 HydrophobicContact CD1-CB 3.69Å; I288-V327 HydrophobicContact CB-CG1 4.39Å; I288-V327 HydrophobicContact CD1-CG1 3.67Å; I288-V327 HydrophobicContact CG1-CG1 3.7Å; I288-E328 PolarHBondContact N-O 2.9Å; I288-V329 HydrophobicContact CB-CG2 4.44Å; I288-V329 HydrophobicContact CD1-CG2 4.37Å; I288-V329 WeakPolarHBondContact O-CA 3.32Å; I288-R330 PolarHBondContact O-N 3.5Å; I288-M389 HydrophobicContact CG2-CG 4.07Å; I288-M389 HydrophobicContact CG2-SD 3.64Å; I288-T391 HydrophobicContact CG1-CG2 4.07Å
289	Y	98.9	Very high	98.4	Very high	4 Å²	4	25.4 Å²	25.4	2%	0.016	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	123	178	-64.6	-15.1	0	0	0	109.7	F287 E328 R330 M389 V390 E450 F453 R454	F287-Y289 HydrophobicContact CB-CD1 4.11Å; F287-Y289 HydrophobicContact CB-CE1 3.55Å; F287-Y289 HydrophobicContact CB-CE2 4.46Å; F287-Y289 HydrophobicContact CD1-CE2 4.5Å; F287-Y289 AromaticContact CD2-CD1 3.83Å; F287-Y289 HydrophobicContact CD2-CD1 3.83Å; F287-Y289 AromaticContact CD2-CD2 3.5Å; F287-Y289 HydrophobicContact CD2-CD2 3.5Å; F287-Y289 VanDerWaalsContact CD2-CD2 3.5Å; F287-Y289 AromaticContact CD2-CE1 3.85Å; F287-Y289 HydrophobicContact CD2-CE1 3.85Å; F287-Y289 AromaticContact CD2-CE2 3.51Å; F287-Y289 HydrophobicContact CD2-CE2 3.51Å; F287-Y289 AromaticContact CD2-CG 3.66Å; F287-Y289 HydrophobicContact CD2-CG 3.66Å; F287-Y289 AromaticContact CD2-CZ 3.68Å; F287-Y289 AromaticContact CE2-CD2 3.66Å; F287-Y289 HydrophobicContact CE2-CD2 3.66Å; F287-Y289 AromaticContact CE2-CE2 3.78Å; F287-Y289 HydrophobicContact CE2-CE2 3.78Å; F287-Y289 HydrophobicContact CE2-CG 4.18Å; F287-Y289 HydrophobicContact CG-CD1 4.32Å; F287-Y289 HydrophobicContact CG-CD2 4.34Å; F287-Y289 AromaticContact CG-CE1 3.9Å; F287-Y289 HydrophobicContact CG-CE1 3.9Å; F287-Y289 AromaticContact CG-CE2 3.92Å; F287-Y289 HydrophobicContact CG-CE2 3.92Å; F287-Y289 AromaticContact CG-CZ 3.67Å; F287-Y289 HydrophobicContact CZ-CE2 4.38Å; Y289-E328 HydrophobicContact CE1-CG 4.25Å; Y289-E328 WeakPolarHBondContact CE1-OE2 3.24Å; Y289-E328 PolarHBondContact OH-OE2 2.89Å; Y289-R330 WeakPolarHBondContact CA-O 3.47Å; Y289-R330 HydrophobicContact CD1-CB 3.66Å; Y289-R330 HydrophobicContact CD1-CG 3.81Å; Y289-R330 HydrophobicContact CE1-CB 4.13Å; Y289-R330 HydrophobicContact CE1-CG 3.73Å; Y289-R330 HydrophobicContact CG-CB 4.49Å; Y289-M389 CarbonylContact O-C 3.6Å; Y289-M389 VanDerWaalsContact O-CA 3.27Å; Y289-M389 WeakPolarHBondContact O-CA 3.31Å; Y289-V390 HydrophobicContact CD2-CG1 4.43Å; Y289-V390 PolarHBondContact N-O 2.91Å; Y289-V390 PolarHBondContact O-N 2.92Å; Y289-E450 HydrophobicContact CD2-CG 4.41Å; Y289-E450 HydrophobicContact CE2-CG 4.42Å; Y289-F453 HydrophobicContact CD1-CD1 4.49Å; Y289-F453 AromaticContact CD1-CE1 3.98Å; Y289-F453 HydrophobicContact CD1-CE1 3.98Å; Y289-F453 HydrophobicContact CD1-CZ 4.44Å; Y289-F453 AromaticContact CD2-CD1 3.46Å; Y289-F453 HydrophobicContact CD2-CD1 3.46Å; Y289-F453 VanDerWaalsContact CD2-CD1 3.46Å; Y289-F453 AromaticContact CD2-CE1 3.78Å; Y289-F453 HydrophobicContact CD2-CE1 3.78Å; Y289-F453 HydrophobicContact CD2-CG 4.18Å; Y289-F453 HydrophobicContact CE2-CD1 4.29Å; Y289-F453 HydrophobicContact CE2-CE1 4.5Å; Y289-F453 AromaticContact CG-CD1 3.6Å; Y289-F453 HydrophobicContact CG-CD1 3.6Å; Y289-F453 AromaticContact CG-CE1 3.49Å; Y289-F453 HydrophobicContact CG-CE1 3.49Å; Y289-F453 VanDerWaalsContact CG-CE1 3.49Å; Y289-F453 HydrophobicContact CG-CG 4.23Å; Y289-F453 HydrophobicContact CG-CZ 4.05Å; Y289-R454 PolarHBondContact OH-NH1 3.46Å; Y289-R454 PolarHBondContact OH-NH2 2.93Å; Y289-R454 VanDerWaalsContact OH-NH2 3.07Å
290	I	98.9	Very high	98.2	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	126.9	-171.1	-64.3	157.3	0	0	0	108.8	I288 V292 L318 R330 L331 L332 M389 W402 F453	I288-I290 HydrophobicContact CG2-CD1 3.65Å; I288-I290 HydrophobicContact CG2-CG1 3.83Å; I290-V292 HydrophobicContact CG2-CB 4.43Å; I290-V292 HydrophobicContact CG2-CG1 3.64Å; I290-V292 HydrophobicContact CG2-CG2 4.05Å; I290-L318 HydrophobicContact CD1-CD1 3.9Å; I290-L318 HydrophobicContact CD1-CD2 3.65Å; I290-L318 HydrophobicContact CD1-CG 4.44Å; I290-R330 PolarHBondContact N-O 3.06Å; I290-L331 HydrophobicContact CD1-CG 4.41Å; I290-L331 CarbonylContact O-C 3.59Å; I290-L332 PolarHBondContact O-N 3.36Å; I290-M389 HydrophobicContact CD1-SD 4.45Å; I290-M389 HydrophobicContact CG1-CB 4.05Å; I290-M389 HydrophobicContact CG1-CG 3.85Å; I290-M389 HydrophobicContact CG1-SD 4.11Å; I290-W402 HydrophobicContact CB-CH2 4.28Å; I290-W402 HydrophobicContact CB-CZ3 4.31Å; I290-W402 HydrophobicContact CD1-CE3 4.43Å; I290-W402 HydrophobicContact CD1-CH2 3.78Å; I290-W402 HydrophobicContact CD1-CZ3 3.4Å; I290-W402 VanDerWaalsContact CD1-CZ3 3.4Å; I290-W402 HydrophobicContact CG1-CH2 3.62Å; I290-W402 HydrophobicContact CG1-CZ3 3.74Å; I290-W402 HydrophobicContact CG2-CD2 4.34Å; I290-W402 HydrophobicContact CG2-CE3 3.91Å; I290-W402 HydrophobicContact CG2-CH2 3.65Å; I290-W402 HydrophobicContact CG2-CZ2 4.05Å; I290-W402 HydrophobicContact CG2-CZ3 3.58Å; I290-F453 WeakPolarHBondContact O-CE2 3.49Å
291	A	98.9	Very high	98	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	108.8	169.5	0	0	0	0	0	109.9	L332 N386 Y388 F453	A291-L332 WeakPolarHBondContact CA-O 3.25Å; A291-L332 HydrophobicContact CB-CB 4.17Å; A291-L332 HydrophobicContact CB-CD2 4.35Å; A291-N386 HydrophobicContact CB-CB 4.47Å; A291-N386 CarbonylContact O-C 3.43Å; A291-Y388 HydrophobicContact CB-CD1 4.09Å; A291-Y388 HydrophobicContact CB-CE1 3.5Å; A291-Y388 VanDerWaalsContact CB-CE1 3.5Å; A291-Y388 HydrophobicContact CB-CE2 4.08Å; A291-Y388 VanDerWaalsContact CB-CZ 3.47Å; A291-Y388 PolarHBondContact N-O 2.83Å; A291-Y388 PolarHBondContact O-N 3.41Å; A291-F453 HydrophobicContact CB-CD2 4.2Å; A291-F453 HydrophobicContact CB-CE2 4.41Å
292	V	98.7	Very high	97.5	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	147.4	-175.4	-61.7	0	0	0	0	110.7	I290 F295 L332 I333 S334 N386 W402	I290-V292 HydrophobicContact CG2-CB 4.43Å; I290-V292 HydrophobicContact CG2-CG1 3.64Å; I290-V292 HydrophobicContact CG2-CG2 4.05Å; V292-F295 HydrophobicContact CG2-CB 4.01Å; V292-L332 PolarHBondContact N-O 3Å; V292-L332 VanDerWaalsContact N-O 3.15Å; V292-I333 HydrophobicContact CG2-CD1 3.47Å; V292-I333 VanDerWaalsContact CG2-CD1 3.47Å; V292-I333 WeakPolarHBondContact O-CA 3.43Å; V292-S334 PolarHBondContact O-N 3.03Å; V292-N386 CarbonylContact C-O 3.01Å; V292-N386 VanDerWaalsContact CA-O 3.28Å; V292-N386 WeakPolarHBondContact CA-O 3.33Å; V292-W402 HydrophobicContact CB-CG 4.38Å; V292-W402 HydrophobicContact CG1-CD2 3.73Å; V292-W402 HydrophobicContact CG1-CE3 4.49Å; V292-W402 HydrophobicContact CG1-CG 3.79Å; V292-W402 HydrophobicContact CG1-CZ2 4.2Å; V292-W402 HydrophobicContact CG2-CB 4.48Å; V292-W402 HydrophobicContact CG2-CG 4.38Å
293	M	98.2	Very high	97	Very high	13 Å²	13	35 Å²	35	6%	0.064	17%	0.169	C	C	.	.	S	Bend	trans	-62.8	-50.2	174.9	177.3	-158.7	-178.7	0	0	112	S334 W336 V383 N384 H385 N386 N401	M293-S334 WeakPolarHBondContact O-CB 3.27Å; M293-S334 PolarHBondContact O-N 2.68Å; M293-W336 HydrophobicContact CE-CH2 3.46Å; M293-W336 VanDerWaalsContact CE-CH2 3.46Å; M293-W336 HydrophobicContact CE-CZ2 2.9Å; M293-W336 HydrophobicContact CE-CZ3 4.47Å; M293-V383 HydrophobicContact CE-CG2 4.38Å; M293-V383 HydrophobicContact CG-CG2 4.18Å; M293-N384 WeakPolarHBondContact CA-O 3.33Å; M293-N384 WeakPolarHBondContact CB-O 3.34Å; M293-H385 PolarHBondContact SD-CD2 3.44Å; M293-N386 PolarHBondContact N-O 3.31Å; M293-N401 WeakPolarHBondContact CB-OD1 3.45Å
294	N	96.9	Very high	96.3	Very high	23 Å²	23	39.7 Å²	39.7	12%	0.123	20%	0.197	C	C	.	.			trans	-128.1	133.4	179.8	-61.2	-41.8	0	0	0	110.1	N401 W402	N294-N401 HydrophobicContact CB-CB 4.14Å; N294-N401 PolarHBondContact ND2-ND2 3.47Å; N294-W402 WeakPolarHBondContact O-CB 3.22Å; N294-W402 PolarHBondContact O-N 2.92Å
295	F	98	Very high	96	Very high	2 Å²	2	46.4 Å²	46.4	1%	0.009	23%	0.232	C	C	.	.	B	Isolated β-bridge	trans	-128.5	112.9	167.1	177.9	-95.8	0	0	0	108.7	V292 I314 D315 L318 L331 I333 L347 L350 W402	V292-F295 HydrophobicContact CG2-CB 4.01Å; F295-I314 HydrophobicContact CE2-CB 4.24Å; F295-I314 HydrophobicContact CE2-CG2 3.82Å; F295-D315 HydrophobicContact CZ-CB 4.18Å; F295-L318 HydrophobicContact CE2-CD1 4.05Å; F295-L318 HydrophobicContact CZ-CD1 4.03Å; F295-L331 HydrophobicContact CD1-CD2 4.11Å; F295-L331 HydrophobicContact CD2-CD2 4.35Å; F295-L331 HydrophobicContact CE1-CD2 4.27Å; F295-L331 HydrophobicContact CG-CD2 4.15Å; F295-L331 HydrophobicContact CZ-CD2 4.46Å; F295-I333 HydrophobicContact CB-CD1 3.7Å; F295-L347 HydrophobicContact CD1-CD2 3.75Å; F295-L347 HydrophobicContact CE1-CD2 4.49Å; F295-L350 HydrophobicContact CE1-CD2 3.95Å; F295-L350 HydrophobicContact CZ-CD2 4.23Å; F295-W402 WeakPolarHBondContact CA-O 3.41Å; F295-W402 HydrophobicContact CD2-CB 3.84Å; F295-W402 AromaticContact CD2-CE3 3.91Å; F295-W402 HydrophobicContact CD2-CE3 3.91Å; F295-W402 HydrophobicContact CE2-CE3 4.14Å
296	V	97.7	Very high	95.7	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.006	23%	0.228	C	C	.	.			trans	-143.9	121.9	179.1	-175.7	0	0	0	0	108.8	Q298 L340 T343 F346 W402 S403	V296-Q298 HydrophobicContact CG1-CB 3.94Å; V296-Q298 HydrophobicContact CG1-CG 3.9Å; V296-Q298 PolarHBondContact O-N 3.04Å; V296-L340 HydrophobicContact CG2-CD1 4.21Å; V296-T343 WeakPolarHBondContact CG2-OG1 3.48Å; V296-F346 HydrophobicContact CG1-CD2 3.94Å; V296-F346 HydrophobicContact CG1-CE2 3.96Å; V296-W402 PolarHBondContact N-O 3.08Å; V296-S403 WeakPolarHBondContact O-CA 3.35Å
297	P	98.3	Very high	95.4	Very high	5 Å²	5	41.7 Å²	41.7	3%	0.032	22%	0.221	C	C	.	.	S	Bend	trans	-77.3	55.1	179.5	33.3	-36.2	0	0	0	111.7	F310 W311 D315 F346	P297-F310 HydrophobicContact CB-CE2 4.16Å; P297-F310 HydrophobicContact CG-CE2 4.24Å; P297-F310 WeakPolarHBondContact O-CD2 3.49Å; P297-W311 CarbonylContact C-O 3.57Å; P297-W311 VanDerWaalsContact CA-O 3.3Å; P297-W311 WeakPolarHBondContact CA-O 3.49Å; P297-W311 CarbonylContact O-C 3.53Å; P297-W311 PolarHBondContact O-N 3.48Å; P297-D315 HydrophobicContact CB-CB 3.9Å; P297-F346 VanDerWaalsContact CD-CG 3.49Å; P297-F346 HydrophobicContact CG-CB 4.08Å; P297-F346 HydrophobicContact CG-CD1 3.28Å; P297-F346 HydrophobicContact CG-CD2 4.29Å; P297-F346 HydrophobicContact CG-CE1 3.65Å; P297-F346 HydrophobicContact CG-CG 3.64Å; P297-F346 HydrophobicContact CG-CZ 4.3Å
298	Q	98	Very high	95.3	Very high	36 Å²	36	42.8 Å²	42.8	17%	0.168	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	152.9	179	-62.3	-177.1	-60.4	0	0	110.1	V296 R309 F346 S403 G404	V296-Q298 HydrophobicContact CG1-CB 3.94Å; V296-Q298 HydrophobicContact CG1-CG 3.9Å; V296-Q298 PolarHBondContact O-N 3.04Å; Q298-R309 CarbonylContact C-O 3.56Å; Q298-R309 WeakPolarHBondContact CA-O 3.42Å; Q298-R309 WeakPolarHBondContact CB-O 3.41Å; Q298-F346 HydrophobicContact CG-CE2 4.01Å; Q298-F346 HydrophobicContact CG-CZ 3.85Å; Q298-S403 WeakPolarHBondContact O-CB 3.44Å; Q298-G404 PolarHBondContact O-N 2.8Å
299	V	97.7	Very high	95.2	Very high	27 Å²	27	50.8 Å²	50.8	16%	0.164	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	111	153.9	179.6	0	0	0	0	106.4	S308 R309 W311 D405 L408 Y409	V299-S308 VanDerWaalsContact O-CA 3.3Å; V299-S308 WeakPolarHBondContact O-CA 3.01Å; V299-S308 WeakPolarHBondContact O-CB 3.22Å; V299-R309 PolarHBondContact N-O 3Å; V299-R309 PolarHBondContact O-N 3.33Å; V299-R309 VanDerWaalsContact O-N 3.07Å; V299-W311 HydrophobicContact CG2-CB 3.88Å; V299-W311 HydrophobicContact CG2-CG 3.97Å; V299-D405 HydrophobicContact CG1-CB 4.18Å; V299-L408 HydrophobicContact CG2-CD1 3.74Å; V299-Y409 HydrophobicContact CG1-CD2 4.46Å; V299-Y409 HydrophobicContact CG1-CE2 3.95Å
300	I	95.5	Very high	95.1	Very high	21 Å²	21	57 Å²	57	11%	0.108	29%	0.289	C	S	.	.			trans	-75.5	128.6	179.3	-60.9	168.7	0	0	0	108.8	Y302 L340 D405	I300-Y302 HydrophobicContact CB-CE2 4.46Å; I300-Y302 HydrophobicContact CG2-CD1 4.42Å; I300-Y302 HydrophobicContact CG2-CE1 4Å; I300-Y302 HydrophobicContact CG2-CE2 4.23Å; I300-L340 HydrophobicContact CD1-CD1 3.72Å; I300-L340 HydrophobicContact CG1-CD1 4.45Å; I300-D405 WeakPolarHBondContact CB-OD1 3.49Å; I300-D405 PolarHBondContact N-OD1 3Å
301	S	92.9	Very high	95.1	Very high	32 Å²	32	58.9 Å²	58.9	22%	0.224	30%	0.296	C	S	.	.			trans	-95.3	127.1	169	173.3	0	0	0	0	109.7	N303 I306 S308	S301-N303 PolarHBondContact OG-N 2.77Å; S301-N303 PolarHBondContact OG-O 2.8Å; S301-I306 WeakPolarHBondContact CB-O 3.43Å; S301-I306 WeakPolarHBondContact OG-CB 3.34Å; S301-I306 PolarHBondContact OG-O 3.44Å; S301-S308 PolarHBondContact N-OG 2.92Å
302	Y	88.5	Confident	95.1	Very high	161 Å²	161	60.1 Å²	60.1	63%	0.631	30%	0.304	S	S	*	.	S	Bend	trans	-91.4	-3.1	173.3	-57.1	-83.9	0	0	0	112.7	I300 D405	I300-Y302 HydrophobicContact CB-CE2 4.46Å; I300-Y302 HydrophobicContact CG2-CD1 4.42Å; I300-Y302 HydrophobicContact CG2-CE1 4Å; I300-Y302 HydrophobicContact CG2-CE2 4.23Å; Y302-D405 WeakPolarHBondContact CE2-OD2 3.41Å; Y302-D405 PolarHBondContact OH-OD2 2.95Å
303	N	88	Confident	95.1	Very high	76 Å²	76	62.5 Å²	62.5	41%	0.406	32%	0.318	S	S	.	.	S	Bend	trans	-90.7	116.5	168.1	-177.9	-21.8	0	0	0	108.8	S301 N305 I306	S301-N303 PolarHBondContact OG-N 2.77Å; S301-N303 PolarHBondContact OG-O 2.8Å; N303-N305 PolarHBondContact O-N 3.37Å; N303-N305 WeakPolarHBondContact OD1-CB 3.48Å; N303-N305 PolarHBondContact OD1-N 2.03Å; N303-I306 HydrophobicContact CB-CB 4.37Å; N303-I306 HydrophobicContact CB-CD1 4.15Å; N303-I306 HydrophobicContact CB-CG1 4.28Å; N303-I306 PolarHBondContact O-N 3.24Å
304	T	84.1	Confident	95.1	Very high	140 Å²	140	62.1 Å²	62.1	86%	0.859	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-19.1	-178	55.2	0	0	0	0	113.9
305	N	92.3	Very high	95.2	Very high	142 Å²	142	61.4 Å²	61.4	76%	0.759	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-8.4	177.3	-58.8	-42.8	0	0	0	113.3	N303	N303-N305 PolarHBondContact O-N 3.37Å; N303-N305 WeakPolarHBondContact OD1-CB 3.48Å; N303-N305 PolarHBondContact OD1-N 2.03Å
306	I	91.2	Very high	95.2	Very high	95 Å²	95	65.5 Å²	65.5	49%	0.487	34%	0.335	S	S	.	.	S	Bend	trans	-117.9	118.4	-178.5	-59.3	175.3	0	0	0	107.8	S301 N303	S301-I306 WeakPolarHBondContact CB-O 3.43Å; S301-I306 WeakPolarHBondContact OG-CB 3.34Å; S301-I306 PolarHBondContact OG-O 3.44Å; N303-I306 HydrophobicContact CB-CB 4.37Å; N303-I306 HydrophobicContact CB-CD1 4.15Å; N303-I306 HydrophobicContact CB-CG1 4.28Å; N303-I306 PolarHBondContact O-N 3.24Å
307	P	93.7	Very high	95.3	Very high	77 Å²	77	65.9 Å²	65.9	50%	0.5	34%	0.338	S	S	.	.			trans	-71.5	141.7	179.8	28.6	-34.5	0	0	0	111.4
308	S	95.5	Very high	95.3	Very high	44 Å²	44	65.6 Å²	65.6	31%	0.308	34%	0.337	S	S	.	.			trans	-56.2	142.1	167.2	-58.7	0	0	0	0	110.7	V299 S301	V299-S308 VanDerWaalsContact O-CA 3.3Å; V299-S308 WeakPolarHBondContact O-CA 3.01Å; V299-S308 WeakPolarHBondContact O-CB 3.22Å; S301-S308 PolarHBondContact N-OG 2.92Å
309	R	96.8	Very high	95.3	Very high	168 Å²	168	66.1 Å²	66.1	63%	0.634	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.4	140.9	-175.6	-63.1	-60.7	-175.7	172.6	-0.4	110.9	Q298 V299 W311	Q298-R309 CarbonylContact C-O 3.56Å; Q298-R309 WeakPolarHBondContact CA-O 3.42Å; Q298-R309 WeakPolarHBondContact CB-O 3.41Å; V299-R309 PolarHBondContact N-O 3Å; V299-R309 PolarHBondContact O-N 3.33Å; V299-R309 VanDerWaalsContact O-N 3.07Å; R309-W311 PolarHBondContact O-N 2.94Å
310	F	97.9	Very high	95.4	Very high	135 Å²	135	70 Å²	70	59%	0.592	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.6	131.8	177.1	-174.8	-125.1	0	0	0	110.9	P297 P312 F346	P297-F310 HydrophobicContact CB-CE2 4.16Å; P297-F310 HydrophobicContact CG-CE2 4.24Å; P297-F310 WeakPolarHBondContact O-CD2 3.49Å; F310-P312 HydrophobicContact CD1-CG 4.06Å; F310-P312 HydrophobicContact CE1-CB 3.74Å; F310-P312 HydrophobicContact CE1-CG 3.49Å; F310-P312 VanDerWaalsContact CE1-CG 3.49Å; F310-P312 HydrophobicContact CE2-CB 3.92Å; F310-P312 HydrophobicContact CE2-CG 4.47Å; F310-P312 HydrophobicContact CZ-CB 3.41Å; F310-P312 VanDerWaalsContact CZ-CB 3.41Å; F310-P312 HydrophobicContact CZ-CG 3.75Å; F310-F346 HydrophobicContact CD2-CE1 4.47Å; F310-F346 HydrophobicContact CE2-CE1 4.34Å
311	W	98.4	Very high	95.5	Very high	39 Å²	39	69 Å²	69	15%	0.148	35%	0.346	C	S	.	.			trans	-148	86.6	-178.6	-173.9	83.7	0	0	0	108.7	I274 P297 V299 R309 V313 I314 G404 F407	I274-W311 HydrophobicContact CD1-CH2 3.58Å; I274-W311 HydrophobicContact CD1-CZ2 4.31Å; I274-W311 HydrophobicContact CD1-CZ3 4.49Å; I274-W311 HydrophobicContact CG1-CH2 3.85Å; I274-W311 HydrophobicContact CG1-CZ2 4.09Å; P297-W311 CarbonylContact C-O 3.57Å; P297-W311 VanDerWaalsContact CA-O 3.3Å; P297-W311 WeakPolarHBondContact CA-O 3.49Å; P297-W311 CarbonylContact O-C 3.53Å; P297-W311 PolarHBondContact O-N 3.48Å; V299-W311 HydrophobicContact CG2-CB 3.88Å; V299-W311 HydrophobicContact CG2-CG 3.97Å; R309-W311 PolarHBondContact O-N 2.94Å; W311-V313 VanDerWaalsContact C-N 3.27Å; W311-V313 HydrophobicContact CD2-CB 4.07Å; W311-V313 HydrophobicContact CD2-CG2 3.88Å; W311-V313 HydrophobicContact CE3-CB 4.2Å; W311-V313 HydrophobicContact CG-CG2 4.3Å; W311-V313 HydrophobicContact CH2-CB 3.77Å; W311-V313 HydrophobicContact CH2-CG1 4.17Å; W311-V313 HydrophobicContact CH2-CG2 4.31Å; W311-V313 HydrophobicContact CZ2-CB 3.59Å; W311-V313 HydrophobicContact CZ2-CG1 4.03Å; W311-V313 HydrophobicContact CZ2-CG2 3.62Å; W311-V313 HydrophobicContact CZ3-CB 4.06Å; W311-V313 PolarHBondContact O-N 3.41Å; W311-I314 HydrophobicContact CH2-CG1 4.39Å; W311-I314 HydrophobicContact CZ3-CD1 4.21Å; W311-I314 HydrophobicContact CZ3-CG1 4.08Å; W311-G404 VanDerWaalsContact CZ3-CA 3.5Å; W311-F407 HydrophobicContact CH2-CB 4.42Å; W311-F407 HydrophobicContact CH2-CD2 4.01Å; W311-F407 HydrophobicContact CH2-CG 4.45Å; W311-F407 HydrophobicContact CZ3-CD2 4.24Å
312	P	98.3	Very high	95.8	Very high	25 Å²	25	67.4 Å²	67.4	16%	0.162	34%	0.336	C	S	.	.			trans	-89.3	22	-169.7	35.8	-37.3	0	0	0	113.7	F310 I314 D315 N316	F310-P312 HydrophobicContact CD1-CG 4.06Å; F310-P312 HydrophobicContact CE1-CB 3.74Å; F310-P312 HydrophobicContact CE1-CG 3.49Å; F310-P312 VanDerWaalsContact CE1-CG 3.49Å; F310-P312 HydrophobicContact CE2-CB 3.92Å; F310-P312 HydrophobicContact CE2-CG 4.47Å; F310-P312 HydrophobicContact CZ-CB 3.41Å; F310-P312 VanDerWaalsContact CZ-CB 3.41Å; F310-P312 HydrophobicContact CZ-CG 3.75Å; P312-I314 PolarHBondContact O-N 2.8Å; P312-D315 HydrophobicContact CB-CB 4.42Å; P312-D315 PolarHBondContact O-N 3.47Å; P312-N316 VanDerWaalsContact O-CB 3.24Å; P312-N316 WeakPolarHBondContact O-CB 3.35Å; P312-N316 VanDerWaalsContact O-CG 3.3Å; P312-N316 PolarHBondContact O-N 3.46Å
313	V	98.7	Very high	96.2	Very high	50 Å²	50	61.5 Å²	61.5	30%	0.303	32%	0.315	S	S	.	.	H	α-helix	trans	-58.3	-49.5	-168.6	172.7	0	0	0	0	111.8	I274 L278 W311 A317	I274-V313 HydrophobicContact CD1-CG1 4.02Å; I274-V313 HydrophobicContact CG1-CG1 4Å; L278-V313 HydrophobicContact CD1-CG1 3.66Å; L278-V313 HydrophobicContact CD2-CG1 4.03Å; L278-V313 HydrophobicContact CG-CG1 4.28Å; W311-V313 VanDerWaalsContact C-N 3.27Å; W311-V313 HydrophobicContact CD2-CB 4.07Å; W311-V313 HydrophobicContact CD2-CG2 3.88Å; W311-V313 HydrophobicContact CE3-CB 4.2Å; W311-V313 HydrophobicContact CG-CG2 4.3Å; W311-V313 HydrophobicContact CH2-CB 3.77Å; W311-V313 HydrophobicContact CH2-CG1 4.17Å; W311-V313 HydrophobicContact CH2-CG2 4.31Å; W311-V313 HydrophobicContact CZ2-CB 3.59Å; W311-V313 HydrophobicContact CZ2-CG1 4.03Å; W311-V313 HydrophobicContact CZ2-CG2 3.62Å; W311-V313 HydrophobicContact CZ3-CB 4.06Å; W311-V313 PolarHBondContact O-N 3.41Å; V313-A317 PolarHBondContact O-N 3.29Å
314	I	98.8	Very high	96.7	Very high	5 Å²	5	62.3 Å²	62.3	3%	0.026	32%	0.319	C	S	.	.	H	α-helix	trans	-72.3	-42.7	177.2	-54.2	177	0	0	0	110.9	I274 L277 I281 F295 W311 P312 N316 A317 L318 W402 F407	I274-I314 HydrophobicContact CD1-CD1 4.08Å; I274-I314 HydrophobicContact CD1-CG1 3.71Å; L277-I314 HydrophobicContact CD1-CD1 4.09Å; L277-I314 HydrophobicContact CD2-CD1 4.05Å; L277-I314 HydrophobicContact CD2-CG1 3.94Å; L277-I314 HydrophobicContact CD2-CG2 4Å; I281-I314 HydrophobicContact CD1-CG2 3.99Å; F295-I314 HydrophobicContact CE2-CB 4.24Å; F295-I314 HydrophobicContact CE2-CG2 3.82Å; W311-I314 HydrophobicContact CH2-CG1 4.39Å; W311-I314 HydrophobicContact CZ3-CD1 4.21Å; W311-I314 HydrophobicContact CZ3-CG1 4.08Å; P312-I314 PolarHBondContact O-N 2.8Å; I314-N316 PolarHBondContact O-N 3.25Å; I314-A317 WeakPolarHBondContact O-CB 3.44Å; I314-A317 PolarHBondContact O-N 2.86Å; I314-A317 VanDerWaalsContact O-N 3.16Å; I314-L318 HydrophobicContact CG2-CD1 4.25Å; I314-L318 HydrophobicContact CG2-CG 4.38Å; I314-L318 WeakPolarHBondContact O-CG 3.38Å; I314-L318 PolarHBondContact O-N 3.35Å; I314-W402 HydrophobicContact CD1-CB 4.29Å; I314-W402 HydrophobicContact CD1-CD2 4.41Å; I314-W402 HydrophobicContact CD1-CE3 4.35Å; I314-W402 HydrophobicContact CD1-CG 4.41Å; I314-W402 HydrophobicContact CG2-CE3 3.79Å; I314-W402 HydrophobicContact CG2-CZ3 3.87Å; I314-F407 HydrophobicContact CD1-CD2 4.27Å; I314-F407 HydrophobicContact CD1-CE2 3.51Å; I314-F407 HydrophobicContact CD1-CZ 3.9Å
315	D	98.7	Very high	97.3	Very high	8 Å²	8	59.6 Å²	59.6	4%	0.043	29%	0.293	C	S	.	.	H	α-helix	trans	-57.3	-49.2	179.2	-178.9	82	0	0	0	111.9	F295 P297 P312 A317 L318 R319	F295-D315 HydrophobicContact CZ-CB 4.18Å; P297-D315 HydrophobicContact CB-CB 3.9Å; P312-D315 HydrophobicContact CB-CB 4.42Å; P312-D315 PolarHBondContact O-N 3.47Å; D315-A317 VanDerWaalsContact C-N 3.31Å; D315-A317 PolarHBondContact O-N 2.95Å; D315-L318 PolarHBondContact O-N 2.79Å; D315-R319 WeakPolarHBondContact O-CG 3.39Å; D315-R319 PolarHBondContact O-N 2.76Å; D315-R319 IonicContact OD1-CZ 3.76Å; D315-R319 IonicContact OD1-NE 2.92Å; D315-R319 IonicContact OD1-NH2 3Å; D315-R319 PolarHBondContact OD1-NH2 3.02Å; D315-R319 IonicContact OD2-CZ 2.9Å; D315-R319 IonicContact OD2-NE 2.99Å; D315-R319 PolarHBondContact OD2-NE 3.34Å; D315-R319 IonicContact OD2-NH2 3.54Å; D315-R319 PolarHBondContact OD2-NH2 3.28Å
316	N	98.7	Very high	97.6	Very high	88 Å²	88	55.3 Å²	55.3	47%	0.471	27%	0.274	S	S	.	.	H	α-helix	trans	-59.6	-40.4	175.7	-75.9	-10.2	0	0	0	112.1	P312 I314 R319 K320	P312-N316 VanDerWaalsContact O-CB 3.24Å; P312-N316 WeakPolarHBondContact O-CB 3.35Å; P312-N316 VanDerWaalsContact O-CG 3.3Å; P312-N316 PolarHBondContact O-N 3.46Å; I314-N316 PolarHBondContact O-N 3.25Å; N316-R319 PolarHBondContact O-N 2.62Å; N316-K320 WeakPolarHBondContact O-CB 3.47Å; N316-K320 PolarHBondContact O-N 3.34Å
317	A	98.9	Very high	97.9	Very high	9 Å²	9	50.8 Å²	50.8	7%	0.074	25%	0.251	C	S	.	.	H	α-helix	trans	-64.9	-40.5	178.3	0	0	0	0	0	111.8	L278 I281 V313 I314 D315 A321	L278-A317 HydrophobicContact CD2-CB 3.49Å; L278-A317 VanDerWaalsContact CD2-CB 3.49Å; I281-A317 HydrophobicContact CD1-CB 4.21Å; I281-A317 HydrophobicContact CG2-CB 3.81Å; V313-A317 PolarHBondContact O-N 3.29Å; I314-A317 WeakPolarHBondContact O-CB 3.44Å; I314-A317 PolarHBondContact O-N 2.86Å; I314-A317 VanDerWaalsContact O-N 3.16Å; D315-A317 VanDerWaalsContact C-N 3.31Å; D315-A317 PolarHBondContact O-N 2.95Å; A317-A321 WeakPolarHBondContact O-CB 3.09Å; A317-A321 PolarHBondContact O-N 2.52Å
318	L	98.8	Very high	98.2	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-67	-45.6	175.4	-64.3	177.2	0	0	0	111.9	I281 I288 I290 F295 I314 D315 K320 A321 A322 V329 L331 L350	I281-L318 HydrophobicContact CD1-CD2 3.76Å; I281-L318 HydrophobicContact CD1-CG 4.24Å; I281-L318 HydrophobicContact CG1-CD2 4.12Å; I281-L318 HydrophobicContact CG2-CD2 4.28Å; I288-L318 HydrophobicContact CD1-CD2 4.41Å; I288-L318 HydrophobicContact CG2-CD2 4Å; I290-L318 HydrophobicContact CD1-CD1 3.9Å; I290-L318 HydrophobicContact CD1-CD2 3.65Å; I290-L318 HydrophobicContact CD1-CG 4.44Å; F295-L318 HydrophobicContact CE2-CD1 4.05Å; F295-L318 HydrophobicContact CZ-CD1 4.03Å; I314-L318 HydrophobicContact CG2-CD1 4.25Å; I314-L318 HydrophobicContact CG2-CG 4.38Å; I314-L318 WeakPolarHBondContact O-CG 3.38Å; I314-L318 PolarHBondContact O-N 3.35Å; D315-L318 PolarHBondContact O-N 2.79Å; L318-K320 VanDerWaalsContact C-N 3.33Å; L318-K320 PolarHBondContact O-N 3.39Å; L318-A321 PolarHBondContact O-N 3.42Å; L318-A322 WeakPolarHBondContact O-CB 3.35Å; L318-A322 PolarHBondContact O-N 3.12Å; L318-V329 HydrophobicContact CD2-CG1 4.1Å; L318-L331 HydrophobicContact CD1-CD2 4.23Å; L318-L350 HydrophobicContact CD1-CD2 4.25Å
319	R	98.5	Very high	98.3	Very high	46 Å²	46	46.5 Å²	46.5	17%	0.174	22%	0.219	C	C	.	.	H	α-helix	trans	-58.1	-47.2	175.1	-67.2	-176.1	-171.9	-93.2	-2.6	111.2	D315 N316 A321 A322 I323 S349 L350 I353	D315-R319 WeakPolarHBondContact O-CG 3.39Å; D315-R319 PolarHBondContact O-N 2.76Å; D315-R319 IonicContact OD1-CZ 3.76Å; D315-R319 IonicContact OD1-NE 2.92Å; D315-R319 IonicContact OD1-NH2 3Å; D315-R319 PolarHBondContact OD1-NH2 3.02Å; D315-R319 IonicContact OD2-CZ 2.9Å; D315-R319 IonicContact OD2-NE 2.99Å; D315-R319 PolarHBondContact OD2-NE 3.34Å; D315-R319 IonicContact OD2-NH2 3.54Å; D315-R319 PolarHBondContact OD2-NH2 3.28Å; N316-R319 PolarHBondContact O-N 2.62Å; R319-A321 PolarHBondContact O-N 3.42Å; R319-A322 PolarHBondContact O-N 3.38Å; R319-I323 WeakPolarHBondContact O-CB 3.3Å; R319-I323 WeakPolarHBondContact O-CG1 3.34Å; R319-I323 PolarHBondContact O-N 2.94Å; R319-S349 PolarHBondContact NH1-O 2.76Å; R319-S349 VanDerWaalsContact NH2-C 3.34Å; R319-S349 PolarHBondContact NH2-O 2.99Å; R319-S349 PolarHBondContact NH2-OG 3Å; R319-L350 HydrophobicContact CG-CD1 3.68Å; R319-I353 HydrophobicContact CB-CD1 4.03Å; R319-I353 HydrophobicContact CG-CD1 3.73Å
320	K	98.4	Very high	98.4	Very high	108 Å²	108	40.1 Å²	40.1	47%	0.47	20%	0.195	S	C	.	.	H	α-helix	trans	-61	-43	177.9	-173.3	177	176.8	58.5	0	111.8	N316 L318 D324	N316-K320 WeakPolarHBondContact O-CB 3.47Å; N316-K320 PolarHBondContact O-N 3.34Å; L318-K320 VanDerWaalsContact C-N 3.33Å; L318-K320 PolarHBondContact O-N 3.39Å; K320-D324 VanDerWaalsContact CG-OD2 3.27Å; K320-D324 WeakPolarHBondContact CG-OD2 3.42Å; K320-D324 IonicContact NZ-OD2 2.98Å; K320-D324 PolarHBondContact NZ-OD2 2.67Å; K320-D324 VanDerWaalsContact O-CB 3.29Å; K320-D324 WeakPolarHBondContact O-CB 3.47Å; K320-D324 PolarHBondContact O-N 3.41Å
321	A	98.6	Very high	98.5	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-62.4	-45.5	176.8	0	0	0	0	0	112.1	I281 I288 A317 L318 R319 R325 S326 V327	I281-A321 HydrophobicContact CG2-CB 4.24Å; I288-A321 HydrophobicContact CD1-CB 3.69Å; A317-A321 WeakPolarHBondContact O-CB 3.09Å; A317-A321 PolarHBondContact O-N 2.52Å; L318-A321 PolarHBondContact O-N 3.42Å; R319-A321 PolarHBondContact O-N 3.42Å; A321-R325 VanDerWaalsContact CB-NH2 3.35Å; A321-R325 PolarHBondContact O-N 3.39Å; A321-S326 PolarHBondContact O-N 2.78Å; A321-V327 HydrophobicContact CB-CB 4.28Å; A321-V327 PolarHBondContact O-N 3.5Å
322	A	98.5	Very high	98.5	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-66.8	-45.9	-179.8	0	0	0	0	0	112.5	L318 R319 S326 V329 I353 A359 V361	L318-A322 WeakPolarHBondContact O-CB 3.35Å; L318-A322 PolarHBondContact O-N 3.12Å; R319-A322 PolarHBondContact O-N 3.38Å; A322-S326 VanDerWaalsContact O-CA 3.26Å; A322-S326 WeakPolarHBondContact O-CA 3.4Å; A322-S326 PolarHBondContact O-N 3.29Å; A322-V329 HydrophobicContact CB-CG2 4.02Å; A322-I353 HydrophobicContact CB-CD1 4.49Å; A322-A359 HydrophobicContact CB-CB 4.06Å; A322-A359 WeakPolarHBondContact O-CA 3.13Å; A322-V361 HydrophobicContact CB-CG2 3.61Å
323	I	98	Very high	98.5	Very high	37 Å²	37	30.7 Å²	30.7	19%	0.19	15%	0.153	C	C	.	.	H	α-helix	trans	-77.1	-55.4	-174.9	-64.1	167.1	0	0	0	111	R319 R325 I353 V356 A359	R319-I323 WeakPolarHBondContact O-CB 3.3Å; R319-I323 WeakPolarHBondContact O-CG1 3.34Å; R319-I323 PolarHBondContact O-N 2.94Å; I323-R325 PolarHBondContact O-N 2.74Å; I323-I353 HydrophobicContact CD1-CD1 4.32Å; I323-I353 HydrophobicContact CG1-CD1 4.45Å; I323-V356 HydrophobicContact CG1-CG1 4.47Å; I323-A359 HydrophobicContact CG1-CB 4.12Å
324	D	97.6	Very high	98.5	Very high	93 Å²	93	28.3 Å²	28.3	50%	0.497	14%	0.138	S	C	.	.	H	α-helix	trans	-78.8	-25.7	-167.8	-61.1	0.1	0	0	0	112.9	K320	K320-D324 VanDerWaalsContact CG-OD2 3.27Å; K320-D324 WeakPolarHBondContact CG-OD2 3.42Å; K320-D324 IonicContact NZ-OD2 2.98Å; K320-D324 PolarHBondContact NZ-OD2 2.67Å; K320-D324 VanDerWaalsContact O-CB 3.29Å; K320-D324 WeakPolarHBondContact O-CB 3.47Å; K320-D324 PolarHBondContact O-N 3.41Å
325	R	97.6	Very high	98.4	Very high	82 Å²	82	32 Å²	32	31%	0.309	15%	0.154	S	C	.	.	H	α-helix	trans	-122.7	1.5	-173.5	-58.9	-165.9	-53.5	-74.6	4.9	113.7	I281 A284 A321 I323 V327	I281-R325 PolarHBondContact O-NH2 3.32Å; A284-R325 PolarHBondContact O-NE 2.76Å; A321-R325 VanDerWaalsContact CB-NH2 3.35Å; A321-R325 PolarHBondContact O-N 3.39Å; I323-R325 PolarHBondContact O-N 2.74Å; R325-V327 HydrophobicContact CB-CG2 3.83Å; R325-V327 PolarHBondContact O-N 2.77Å; R325-V327 VanDerWaalsContact O-N 3.14Å
326	S	97.5	Very high	98.3	Very high	52 Å²	52	33.7 Å²	33.7	36%	0.364	16%	0.16	S	C	.	.			trans	55.1	28.7	-177.9	-51.1	0	0	0	0	113.6	A321 A322 E328 S358	A321-S326 PolarHBondContact O-N 2.78Å; A322-S326 VanDerWaalsContact O-CA 3.26Å; A322-S326 WeakPolarHBondContact O-CA 3.4Å; A322-S326 PolarHBondContact O-N 3.29Å; S326-E328 PolarHBondContact O-N 3.34Å; S326-S358 VanDerWaalsContact OG-CB 3.29Å; S326-S358 WeakPolarHBondContact OG-CB 3.24Å
327	V	98.6	Very high	98	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.179	C	C	.	.			trans	-71.1	128.9	178	176.6	0	0	0	0	108.7	A284 I288 A321 R325 V329	A284-V327 HydrophobicContact CB-CG1 4.3Å; I288-V327 HydrophobicContact CB-CG1 4.39Å; I288-V327 HydrophobicContact CD1-CG1 3.67Å; I288-V327 HydrophobicContact CG1-CG1 3.7Å; A321-V327 HydrophobicContact CB-CB 4.28Å; A321-V327 PolarHBondContact O-N 3.5Å; R325-V327 HydrophobicContact CB-CG2 3.83Å; R325-V327 PolarHBondContact O-N 2.77Å; R325-V327 VanDerWaalsContact O-N 3.14Å; V327-V329 PolarHBondContact O-N 3.36Å
328	E	98.7	Very high	97.8	Very high	31 Å²	31	41.1 Å²	41.1	15%	0.145	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	118.5	175.5	-177.9	-173.2	-160.9	0	0	110.2	K286 F287 I288 Y289 S326 R330 Q360	K286-E328 PolarHBondContact O-N 3.35Å; F287-E328 CarbonylContact C-O 3.57Å; F287-E328 WeakPolarHBondContact CA-O 3.28Å; F287-E328 HydrophobicContact CB-CB 4.07Å; I288-E328 PolarHBondContact N-O 2.9Å; Y289-E328 HydrophobicContact CE1-CG 4.25Å; Y289-E328 WeakPolarHBondContact CE1-OE2 3.24Å; Y289-E328 PolarHBondContact OH-OE2 2.89Å; S326-E328 PolarHBondContact O-N 3.34Å; E328-R330 HydrophobicContact CG-CG 4.38Å; E328-R330 IonicContact OE1-CZ 3.59Å; E328-R330 IonicContact OE1-NE 3.73Å; E328-R330 PolarHBondContact OE1-NE 3.47Å; E328-R330 IonicContact OE1-NH2 3.44Å; E328-R330 PolarHBondContact OE1-NH2 3Å; E328-R330 IonicContact OE2-NE 2.68Å; E328-R330 IonicContact OE2-NH2 3.22Å; E328-Q360 HydrophobicContact CG-CB 4.35Å
329	V	98.8	Very high	97.6	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.006	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	122	178	-173.1	0	0	0	0	110	I288 L318 A322 V327 L331 Q360 V361 R362	I288-V329 HydrophobicContact CB-CG2 4.44Å; I288-V329 HydrophobicContact CD1-CG2 4.37Å; I288-V329 WeakPolarHBondContact O-CA 3.32Å; L318-V329 HydrophobicContact CD2-CG1 4.1Å; A322-V329 HydrophobicContact CB-CG2 4.02Å; V327-V329 PolarHBondContact O-N 3.36Å; V329-L331 HydrophobicContact CG1-CD1 3.61Å; V329-Q360 PolarHBondContact N-O 3.18Å; V329-V361 HydrophobicContact CB-CG2 4.32Å; V329-V361 WeakPolarHBondContact O-CA 3.28Å; V329-R362 PolarHBondContact O-N 3.24Å
330	R	98.8	Very high	97.4	Very high	34 Å²	34	44 Å²	44	13%	0.128	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	124	172.9	-62.4	-174.9	-177.2	-172.7	5.2	110.6	I288 Y289 I290 E328 R362 F453 W457	I288-R330 PolarHBondContact O-N 3.5Å; Y289-R330 WeakPolarHBondContact CA-O 3.47Å; Y289-R330 HydrophobicContact CD1-CB 3.66Å; Y289-R330 HydrophobicContact CD1-CG 3.81Å; Y289-R330 HydrophobicContact CE1-CB 4.13Å; Y289-R330 HydrophobicContact CE1-CG 3.73Å; Y289-R330 HydrophobicContact CG-CB 4.49Å; I290-R330 PolarHBondContact N-O 3.06Å; E328-R330 HydrophobicContact CG-CG 4.38Å; E328-R330 IonicContact OE1-CZ 3.59Å; E328-R330 IonicContact OE1-NE 3.73Å; E328-R330 PolarHBondContact OE1-NE 3.47Å; E328-R330 IonicContact OE1-NH2 3.44Å; E328-R330 PolarHBondContact OE1-NH2 3Å; E328-R330 IonicContact OE2-NE 2.68Å; E328-R330 IonicContact OE2-NH2 3.22Å; R330-R362 WeakPolarHBondContact CA-O 3.46Å; R330-R362 HydrophobicContact CG-CB 4.49Å; R330-F453 HydrophobicContact CB-CE1 3.96Å; R330-F453 HydrophobicContact CB-CZ 3.67Å; R330-W457 HydrophobicContact CB-CE3 4.15Å; R330-W457 HydrophobicContact CB-CH2 3.83Å; R330-W457 HydrophobicContact CB-CZ2 4.42Å; R330-W457 HydrophobicContact CB-CZ3 3.69Å; R330-W457 HydrophobicContact CG-CH2 4.01Å; R330-W457 HydrophobicContact CG-CZ2 4.16Å; R330-W457 HydrophobicContact CG-CZ3 4.32Å
331	L	98.8	Very high	97	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	123.3	175.4	-64.9	89.1	0	0	0	109.8	I290 F295 L318 V329 I333 L347 L350 V361 R362 V363 R364	I290-L331 HydrophobicContact CD1-CG 4.41Å; I290-L331 CarbonylContact O-C 3.59Å; F295-L331 HydrophobicContact CD1-CD2 4.11Å; F295-L331 HydrophobicContact CD2-CD2 4.35Å; F295-L331 HydrophobicContact CE1-CD2 4.27Å; F295-L331 HydrophobicContact CG-CD2 4.15Å; F295-L331 HydrophobicContact CZ-CD2 4.46Å; L318-L331 HydrophobicContact CD1-CD2 4.23Å; V329-L331 HydrophobicContact CG1-CD1 3.61Å; L331-I333 HydrophobicContact CB-CD1 4.03Å; L331-I333 HydrophobicContact CB-CG1 4.16Å; L331-I333 HydrophobicContact CD2-CD1 4.29Å; L331-L347 HydrophobicContact CD2-CD2 4.34Å; L331-L350 HydrophobicContact CD1-CD2 3.84Å; L331-L350 HydrophobicContact CD2-CD2 3.82Å; L331-V361 HydrophobicContact CD1-CG1 4.44Å; L331-R362 PolarHBondContact N-O 2.82Å; L331-V363 HydrophobicContact CB-CG1 4.36Å; L331-V363 HydrophobicContact CB-CG2 4.29Å; L331-V363 HydrophobicContact CD1-CG2 4.24Å; L331-V363 CarbonylContact O-C 3.45Å; L331-V363 WeakPolarHBondContact O-CA 3.38Å; L331-R364 PolarHBondContact O-N 3.23Å
332	L	98.7	Very high	96.8	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	99.8	172.5	-174.3	63.7	0	0	0	108.7	I290 A291 V292 R364 F366 F453 D456 W457 T462	I290-L332 PolarHBondContact O-N 3.36Å; A291-L332 WeakPolarHBondContact CA-O 3.25Å; A291-L332 HydrophobicContact CB-CB 4.17Å; A291-L332 HydrophobicContact CB-CD2 4.35Å; V292-L332 PolarHBondContact N-O 3Å; V292-L332 VanDerWaalsContact N-O 3.15Å; L332-R364 CarbonylContact C-O 3.48Å; L332-R364 WeakPolarHBondContact CA-O 3.4Å; L332-R364 HydrophobicContact CD1-CB 3.75Å; L332-F366 HydrophobicContact CD1-CB 3.91Å; L332-F366 HydrophobicContact CD1-CD2 4.28Å; L332-F366 HydrophobicContact CD2-CD2 4.03Å; L332-F366 HydrophobicContact CG-CB 4.09Å; L332-F366 HydrophobicContact CG-CD2 4.4Å; L332-F453 HydrophobicContact CB-CE2 3.82Å; L332-F453 HydrophobicContact CB-CZ 4.32Å; L332-D456 HydrophobicContact CD2-CB 3.68Å; L332-W457 HydrophobicContact CB-CE3 4.33Å; L332-W457 HydrophobicContact CD1-CE3 4.41Å; L332-T462 HydrophobicContact CD1-CG2 3.68Å
333	I	98.6	Very high	96.7	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.005	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	140.6	-171	-52.7	-57	0	0	0	110.2	V292 F295 L331 T343 L347 V363 R364 Y365 F366	V292-I333 HydrophobicContact CG2-CD1 3.47Å; V292-I333 VanDerWaalsContact CG2-CD1 3.47Å; V292-I333 WeakPolarHBondContact O-CA 3.43Å; F295-I333 HydrophobicContact CB-CD1 3.7Å; L331-I333 HydrophobicContact CB-CD1 4.03Å; L331-I333 HydrophobicContact CB-CG1 4.16Å; L331-I333 HydrophobicContact CD2-CD1 4.29Å; I333-T343 HydrophobicContact CG2-CG2 4.42Å; I333-L347 HydrophobicContact CB-CD1 4.18Å; I333-L347 HydrophobicContact CG1-CD1 3.91Å; I333-L347 HydrophobicContact CG1-CD2 3.93Å; I333-L347 HydrophobicContact CG2-CD1 4.18Å; I333-V363 HydrophobicContact CG1-CG1 4.34Å; I333-R364 PolarHBondContact N-O 3.11Å; I333-Y365 HydrophobicContact CB-CD1 4.09Å; I333-Y365 HydrophobicContact CB-CE1 4.19Å; I333-Y365 HydrophobicContact CG2-CD1 4.37Å; I333-Y365 HydrophobicContact CG2-CE1 4.14Å; I333-Y365 CarbonylContact O-C 3.53Å; I333-Y365 VanDerWaalsContact O-CA 3.24Å; I333-Y365 WeakPolarHBondContact O-CA 3.19Å; I333-F366 PolarHBondContact O-N 2.82Å
334	S	98.4	Very high	96.7	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	134.2	174.9	-166	0	0	0	0	112.1	V292 M293 T339 V383 N384	V292-S334 PolarHBondContact O-N 3.03Å; M293-S334 WeakPolarHBondContact O-CB 3.27Å; M293-S334 PolarHBondContact O-N 2.68Å; S334-T339 PolarHBondContact O-OG1 3.02Å; S334-V383 VanDerWaalsContact OG-CG2 3.28Å; S334-V383 WeakPolarHBondContact OG-CG2 3.41Å; S334-N384 WeakPolarHBondContact CB-O 3.26Å; S334-N384 PolarHBondContact OG-N 3.29Å; S334-N384 PolarHBondContact OG-O 2.61Å
335	K	97.7	Very high	96.6	Very high	82 Å²	82	48.6 Å²	48.6	36%	0.357	25%	0.254	S	S	.	.			trans	-114.9	120.3	167	-175.5	162.3	-175.5	164.9	0	109.5	E344 Y365 F366 I367	K335-E344 IonicContact NZ-OE2 3.41Å; K335-E344 PolarHBondContact NZ-OE2 3Å; K335-Y365 HydrophobicContact CB-CD1 3.63Å; K335-Y365 HydrophobicContact CB-CD2 4.46Å; K335-Y365 HydrophobicContact CB-CE1 4.26Å; K335-Y365 HydrophobicContact CB-CG 3.74Å; K335-Y365 HydrophobicContact CD-CD1 4.2Å; K335-Y365 HydrophobicContact CD-CD2 3.6Å; K335-Y365 HydrophobicContact CD-CE1 4.48Å; K335-Y365 HydrophobicContact CD-CE2 3.88Å; K335-Y365 HydrophobicContact CD-CG 3.75Å; K335-Y365 HydrophobicContact CG-CD1 4.43Å; K335-Y365 HydrophobicContact CG-CG 4.37Å; K335-F366 PolarHBondContact N-O 3.37Å; K335-I367 HydrophobicContact CB-CG1 3.91Å; K335-I367 HydrophobicContact CG-CG1 4.41Å
336	W	96.5	Very high	96.7	Very high	44 Å²	44	46.8 Å²	46.8	17%	0.167	25%	0.249	C	C	.	.	S	Bend	trans	-157.5	174	-173.8	66.5	-52.3	0	0	0	109.6	M293 H338 T339 Y380 V383	M293-W336 HydrophobicContact CE-CH2 3.46Å; M293-W336 VanDerWaalsContact CE-CH2 3.46Å; M293-W336 HydrophobicContact CE-CZ2 2.9Å; M293-W336 HydrophobicContact CE-CZ3 4.47Å; W336-H338 HydrophobicContact CD2-CB 4.19Å; W336-H338 HydrophobicContact CE3-CB 4.33Å; W336-H338 AromaticContact CE3-CD2 3.59Å; W336-H338 HydrophobicContact CH2-CB 3.7Å; W336-H338 AromaticContact CH2-CD2 3.69Å; W336-H338 AromaticContact CH2-CG 3.93Å; W336-H338 HydrophobicContact CZ2-CB 3.48Å; W336-H338 VanDerWaalsContact CZ2-CB 3.48Å; W336-H338 HydrophobicContact CZ3-CB 4.15Å; W336-H338 AromaticContact CZ3-CD2 3.32Å; W336-H338 WeakPolarHBondContact CZ3-CD2 3.37Å; W336-H338 PolarHBondContact O-N 3.35Å; W336-T339 PolarHBondContact N-OG1 3.44Å; W336-T339 VanDerWaalsContact N-OG1 3.08Å; W336-T339 WeakPolarHBondContact O-CB 3.32Å; W336-T339 PolarHBondContact O-N 2.73Å; W336-T339 PolarHBondContact O-OG1 3.22Å; W336-Y380 HydrophobicContact CZ3-CD1 4.5Å; W336-V383 HydrophobicContact CB-CB 4.29Å; W336-V383 HydrophobicContact CB-CG2 4.21Å; W336-V383 HydrophobicContact CD2-CB 3.77Å; W336-V383 HydrophobicContact CD2-CG2 3.34Å; W336-V383 HydrophobicContact CE3-CB 3.57Å; W336-V383 HydrophobicContact CE3-CG1 4.04Å; W336-V383 HydrophobicContact CE3-CG2 3.64Å; W336-V383 HydrophobicContact CG-CB 4.06Å; W336-V383 HydrophobicContact CG-CG2 3.57Å; W336-V383 HydrophobicContact CZ2-CG2 4.39Å; W336-V383 HydrophobicContact CZ3-CB 4.2Å; W336-V383 HydrophobicContact CZ3-CG1 4.18Å; W336-V383 HydrophobicContact CZ3-CG2 4.23Å
337	N	92.7	Very high	96.7	Very high	164 Å²	164	44.3 Å²	44.3	88%	0.877	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-13.6	-171.8	-69.5	-7.3	0	0	0	115.1
338	H	93.9	Very high	96.7	Very high	89 Å²	89	46.5 Å²	46.5	41%	0.412	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.8	14.1	179.6	-50.4	-89.5	0	0	0	113	W336 L340 Y380	W336-H338 HydrophobicContact CD2-CB 4.19Å; W336-H338 HydrophobicContact CE3-CB 4.33Å; W336-H338 AromaticContact CE3-CD2 3.59Å; W336-H338 HydrophobicContact CH2-CB 3.7Å; W336-H338 AromaticContact CH2-CD2 3.69Å; W336-H338 AromaticContact CH2-CG 3.93Å; W336-H338 HydrophobicContact CZ2-CB 3.48Å; W336-H338 VanDerWaalsContact CZ2-CB 3.48Å; W336-H338 HydrophobicContact CZ3-CB 4.15Å; W336-H338 AromaticContact CZ3-CD2 3.32Å; W336-H338 WeakPolarHBondContact CZ3-CD2 3.37Å; W336-H338 PolarHBondContact O-N 3.35Å; H338-L340 PolarHBondContact O-N 2.94Å; H338-Y380 AromaticContact CE1-CD1 3.83Å; H338-Y380 AromaticContact CE1-CE1 3.46Å; H338-Y380 VanDerWaalsContact CE1-CE1 3.46Å; H338-Y380 WeakPolarHBondContact CE1-CE1 3.43Å; H338-Y380 AromaticContact NE2-CD1 3.52Å; H338-Y380 AromaticContact NE2-CE1 3.66Å
339	T	95.6	Very high	96.6	Very high	36 Å²	36	47.9 Å²	47.9	22%	0.221	26%	0.256	C	S	.	.			trans	-60.7	131	169	-62.4	0	0	0	0	109.3	S334 W336 T343	S334-T339 PolarHBondContact O-OG1 3.02Å; W336-T339 PolarHBondContact N-OG1 3.44Å; W336-T339 VanDerWaalsContact N-OG1 3.08Å; W336-T339 WeakPolarHBondContact O-CB 3.32Å; W336-T339 PolarHBondContact O-N 2.73Å; W336-T339 PolarHBondContact O-OG1 3.22Å; T339-T343 HydrophobicContact CG2-CG2 4.18Å
340	L	93	Very high	96.6	Very high	69 Å²	69	47.8 Å²	47.8	36%	0.361	26%	0.256	S	S	.	.			trans	-64	138.1	178	-65.3	172.7	0	0	0	110.6	V296 I300 H338 S342 T343	V296-L340 HydrophobicContact CG2-CD1 4.21Å; I300-L340 HydrophobicContact CD1-CD1 3.72Å; I300-L340 HydrophobicContact CG1-CD1 4.45Å; H338-L340 PolarHBondContact O-N 2.94Å; L340-S342 PolarHBondContact O-N 3.44Å; L340-S342 VanDerWaalsContact O-N 3.15Å; L340-T343 VanDerWaalsContact O-CB 3.27Å; L340-T343 WeakPolarHBondContact O-CB 3.49Å; L340-T343 PolarHBondContact O-N 3.44Å; L340-T343 PolarHBondContact O-OG1 3.24Å
341	S	91	Very high	96.5	Very high	117 Å²	117	50 Å²	50	82%	0.818	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-26.6	-179.5	55.2	0	0	0	0	113.5
342	S	93.8	Very high	96.4	Very high	32 Å²	32	53.8 Å²	53.8	22%	0.224	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-18.8	176.6	59.8	0	0	0	0	114.1	L340 E344 N345 F346	L340-S342 PolarHBondContact O-N 3.44Å; L340-S342 VanDerWaalsContact O-N 3.15Å; S342-E344 VanDerWaalsContact C-N 3.33Å; S342-E344 PolarHBondContact O-N 2.86Å; S342-N345 PolarHBondContact O-N 3.23Å; S342-F346 VanDerWaalsContact O-CD2 3.25Å; S342-F346 WeakPolarHBondContact O-CD2 3.41Å; S342-F346 PolarHBondContact O-N 2.92Å
343	T	96.7	Very high	96.3	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-57.3	-45.5	-174.8	-64.3	0	0	0	0	111.6	V296 I333 T339 L340 N345 F346 L347	V296-T343 WeakPolarHBondContact CG2-OG1 3.48Å; I333-T343 HydrophobicContact CG2-CG2 4.42Å; T339-T343 HydrophobicContact CG2-CG2 4.18Å; L340-T343 VanDerWaalsContact O-CB 3.27Å; L340-T343 WeakPolarHBondContact O-CB 3.49Å; L340-T343 PolarHBondContact O-N 3.44Å; L340-T343 PolarHBondContact O-OG1 3.24Å; T343-N345 VanDerWaalsContact C-N 3.35Å; T343-N345 PolarHBondContact O-N 2.96Å; T343-F346 PolarHBondContact O-N 2.87Å; T343-L347 HydrophobicContact CG2-CD1 3.7Å; T343-L347 HydrophobicContact CG2-CG 4.24Å; T343-L347 VanDerWaalsContact O-CG 3.3Å; T343-L347 WeakPolarHBondContact O-CG 3.33Å; T343-L347 PolarHBondContact O-N 3.01Å
344	E	97	Very high	96.1	Very high	76 Å²	76	61.5 Å²	61.5	36%	0.355	33%	0.326	S	S	.	.	H	α-helix	trans	-62.1	-41.1	-178.6	-164.1	172.4	110.1	0	0	112.2	K335 S342 F346 L347 N348 Y365 L465	K335-E344 IonicContact NZ-OE2 3.41Å; K335-E344 PolarHBondContact NZ-OE2 3Å; S342-E344 VanDerWaalsContact C-N 3.33Å; S342-E344 PolarHBondContact O-N 2.86Å; E344-F346 PolarHBondContact O-N 2.8Å; E344-L347 PolarHBondContact O-N 2.81Å; E344-N348 WeakPolarHBondContact O-CB 3.35Å; E344-N348 PolarHBondContact O-N 2.96Å; E344-N348 PolarHBondContact O-ND2 3.3Å; E344-Y365 WeakPolarHBondContact CA-OH 3.23Å; E344-Y365 WeakPolarHBondContact CB-OH 3.5Å; E344-Y365 HydrophobicContact CG-CE2 4.42Å; E344-L465 HydrophobicContact CG-CD1 3.67Å; E344-L465 HydrophobicContact CG-CD2 4.36Å
345	N	97.3	Very high	95.9	Very high	110 Å²	110	64 Å²	64	59%	0.588	35%	0.352	S	S	*	.	H	α-helix	trans	-63.1	-42.6	177.6	-70.3	-30.3	0	0	0	112.3	S342 T343 N348 S349	S342-N345 PolarHBondContact O-N 3.23Å; T343-N345 VanDerWaalsContact C-N 3.35Å; T343-N345 PolarHBondContact O-N 2.96Å; N345-N348 PolarHBondContact O-N 2.75Å; N345-S349 PolarHBondContact O-N 2.81Å
346	F	98.2	Very high	95.7	Very high	44 Å²	44	63.2 Å²	63.2	19%	0.193	35%	0.354	C	S	.	.	H	α-helix	trans	-66.8	-41.6	176.7	-75	-62.6	0	0	0	112.1	V296 P297 Q298 F310 S342 T343 E344 S349 L350	V296-F346 HydrophobicContact CG1-CD2 3.94Å; V296-F346 HydrophobicContact CG1-CE2 3.96Å; P297-F346 VanDerWaalsContact CD-CG 3.49Å; P297-F346 HydrophobicContact CG-CB 4.08Å; P297-F346 HydrophobicContact CG-CD1 3.28Å; P297-F346 HydrophobicContact CG-CD2 4.29Å; P297-F346 HydrophobicContact CG-CE1 3.65Å; P297-F346 HydrophobicContact CG-CG 3.64Å; P297-F346 HydrophobicContact CG-CZ 4.3Å; Q298-F346 HydrophobicContact CG-CE2 4.01Å; Q298-F346 HydrophobicContact CG-CZ 3.85Å; F310-F346 HydrophobicContact CD2-CE1 4.47Å; F310-F346 HydrophobicContact CE2-CE1 4.34Å; S342-F346 VanDerWaalsContact O-CD2 3.25Å; S342-F346 WeakPolarHBondContact O-CD2 3.41Å; S342-F346 PolarHBondContact O-N 2.92Å; T343-F346 PolarHBondContact O-N 2.87Å; E344-F346 PolarHBondContact O-N 2.8Å; F346-S349 WeakPolarHBondContact O-CB 3.29Å; F346-S349 PolarHBondContact O-N 3.29Å; F346-L350 PolarHBondContact O-N 3.12Å
347	L	98.4	Very high	95.5	Very high	0 Å²	0	68.2 Å²	68.2	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-65.4	-39.4	176.7	-68.3	173.8	0	0	0	112.1	F295 L331 I333 T343 E344 S349 L350 R351 V363 Y365 L465	F295-L347 HydrophobicContact CD1-CD2 3.75Å; F295-L347 HydrophobicContact CE1-CD2 4.49Å; L331-L347 HydrophobicContact CD2-CD2 4.34Å; I333-L347 HydrophobicContact CB-CD1 4.18Å; I333-L347 HydrophobicContact CG1-CD1 3.91Å; I333-L347 HydrophobicContact CG1-CD2 3.93Å; I333-L347 HydrophobicContact CG2-CD1 4.18Å; T343-L347 HydrophobicContact CG2-CD1 3.7Å; T343-L347 HydrophobicContact CG2-CG 4.24Å; T343-L347 VanDerWaalsContact O-CG 3.3Å; T343-L347 WeakPolarHBondContact O-CG 3.33Å; T343-L347 PolarHBondContact O-N 3.01Å; E344-L347 PolarHBondContact O-N 2.81Å; L347-S349 VanDerWaalsContact C-N 3.34Å; L347-S349 PolarHBondContact O-N 3.12Å; L347-L350 PolarHBondContact O-N 3.22Å; L347-R351 WeakPolarHBondContact O-CB 3.47Å; L347-R351 PolarHBondContact O-N 3.02Å; L347-V363 HydrophobicContact CB-CG1 4.19Å; L347-V363 HydrophobicContact CD1-CG1 4.02Å; L347-V363 HydrophobicContact CD2-CG1 4.02Å; L347-V363 HydrophobicContact CG-CG1 4.3Å; L347-Y365 HydrophobicContact CD1-CE1 3.78Å; L347-L465 HydrophobicContact CB-CD2 3.45Å; L347-L465 VanDerWaalsContact CB-CD2 3.45Å; L347-L465 HydrophobicContact CD1-CD2 4.31Å
348	N	97.9	Very high	95.6	Very high	47 Å²	47	63.9 Å²	63.9	25%	0.251	36%	0.362	S	S	.	.	H	α-helix	trans	-60.2	-43.4	172.4	-81.4	-34.6	0	0	0	111.9	E344 N345 L350 R351 A352	E344-N348 WeakPolarHBondContact O-CB 3.35Å; E344-N348 PolarHBondContact O-N 2.96Å; E344-N348 PolarHBondContact O-ND2 3.3Å; N345-N348 PolarHBondContact O-N 2.75Å; N348-L350 VanDerWaalsContact C-N 3.35Å; N348-L350 PolarHBondContact O-N 3.06Å; N348-R351 PolarHBondContact O-N 2.91Å; N348-R351 PolarHBondContact OD1-NH2 3.27Å; N348-A352 WeakPolarHBondContact O-CB 3.47Å; N348-A352 PolarHBondContact O-N 3.08Å
349	S	97.7	Very high	95.7	Very high	59 Å²	59	59.7 Å²	59.7	41%	0.413	34%	0.342	S	S	.	.	H	α-helix	trans	-62	-39.6	175.2	172.3	0	0	0	0	113	R319 N345 F346 L347	R319-S349 PolarHBondContact NH1-O 2.76Å; R319-S349 VanDerWaalsContact NH2-C 3.34Å; R319-S349 PolarHBondContact NH2-O 2.99Å; R319-S349 PolarHBondContact NH2-OG 3Å; N345-S349 PolarHBondContact O-N 2.81Å; F346-S349 WeakPolarHBondContact O-CB 3.29Å; F346-S349 PolarHBondContact O-N 3.29Å; L347-S349 VanDerWaalsContact C-N 3.34Å; L347-S349 PolarHBondContact O-N 3.12Å
350	L	98.2	Very high	95.8	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-68.3	-44.3	176.3	179.5	56.5	0	0	0	111.2	F295 L318 R319 L331 F346 L347 N348 A352 I353 V361	F295-L350 HydrophobicContact CE1-CD2 3.95Å; F295-L350 HydrophobicContact CZ-CD2 4.23Å; L318-L350 HydrophobicContact CD1-CD2 4.25Å; R319-L350 HydrophobicContact CG-CD1 3.68Å; L331-L350 HydrophobicContact CD1-CD2 3.84Å; L331-L350 HydrophobicContact CD2-CD2 3.82Å; F346-L350 PolarHBondContact O-N 3.12Å; L347-L350 PolarHBondContact O-N 3.22Å; N348-L350 VanDerWaalsContact C-N 3.35Å; N348-L350 PolarHBondContact O-N 3.06Å; L350-A352 VanDerWaalsContact C-N 3.31Å; L350-A352 PolarHBondContact O-N 2.76Å; L350-I353 HydrophobicContact CD1-CD1 4.23Å; L350-I353 WeakPolarHBondContact O-CG1 3.19Å; L350-V361 HydrophobicContact CD1-CG1 4.45Å; L350-V361 HydrophobicContact CG-CG1 4.03Å
351	R	96.6	Very high	96	Very high	80 Å²	80	59 Å²	59	30%	0.302	34%	0.335	S	S	.	.	H	α-helix	trans	-64	-32.7	177.6	-178	178.5	60.9	151.3	-14	113.1	L347 N348 I353 Y354 V363 L465	L347-R351 WeakPolarHBondContact O-CB 3.47Å; L347-R351 PolarHBondContact O-N 3.02Å; N348-R351 PolarHBondContact O-N 2.91Å; N348-R351 PolarHBondContact OD1-NH2 3.27Å; R351-I353 PolarHBondContact O-N 3.19Å; R351-Y354 VanDerWaalsContact O-CB 3.27Å; R351-Y354 WeakPolarHBondContact O-CB 3.46Å; R351-Y354 PolarHBondContact O-N 3.09Å; R351-V363 HydrophobicContact CB-CG2 4.32Å; R351-L465 PolarHBondContact NH1-O 3.43Å; R351-L465 PolarHBondContact NH1-OXT 2.71Å; R351-L465 PolarHBondContact NH2-OXT 3.21Å
352	A	97	Very high	96.4	Very high	79 Å²	79	57.3 Å²	57.3	65%	0.653	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-14.5	-177.1	0	0	0	0	0	114.4	N348 L350 Y354	N348-A352 WeakPolarHBondContact O-CB 3.47Å; N348-A352 PolarHBondContact O-N 3.08Å; L350-A352 VanDerWaalsContact C-N 3.31Å; L350-A352 PolarHBondContact O-N 2.76Å; A352-Y354 VanDerWaalsContact C-N 3.28Å
353	I	96	Very high	96.6	Very high	17 Å²	17	55.8 Å²	55.8	9%	0.087	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-4.7	174.4	80.6	-167.2	0	0	0	113.3	R319 A322 I323 L350 R351 G355 V356 V361	R319-I353 HydrophobicContact CB-CD1 4.03Å; R319-I353 HydrophobicContact CG-CD1 3.73Å; A322-I353 HydrophobicContact CB-CD1 4.49Å; I323-I353 HydrophobicContact CD1-CD1 4.32Å; I323-I353 HydrophobicContact CG1-CD1 4.45Å; L350-I353 HydrophobicContact CD1-CD1 4.23Å; L350-I353 WeakPolarHBondContact O-CG1 3.19Å; R351-I353 PolarHBondContact O-N 3.19Å; I353-G355 PolarHBondContact O-N 3.19Å; I353-V356 HydrophobicContact CB-CG2 4.23Å; I353-V356 VanDerWaalsContact O-CB 3.29Å; I353-V356 WeakPolarHBondContact O-CB 3.34Å; I353-V356 WeakPolarHBondContact O-CG2 3.15Å; I353-V356 PolarHBondContact O-N 3.48Å; I353-V361 HydrophobicContact CD1-CG2 3.81Å; I353-V361 HydrophobicContact CG1-CB 4.38Å; I353-V361 HydrophobicContact CG1-CG2 3.72Å
354	Y	94.7	Very high	96.7	Very high	146 Å²	146	58 Å²	58	57%	0.573	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	126.1	173.2	178.5	-89	0	0	0	109.8	R351 A352 V356	R351-Y354 VanDerWaalsContact O-CB 3.27Å; R351-Y354 WeakPolarHBondContact O-CB 3.46Å; R351-Y354 PolarHBondContact O-N 3.09Å; A352-Y354 VanDerWaalsContact C-N 3.28Å; Y354-V356 VanDerWaalsContact C-N 3.33Å
355	G	93.3	Very high	96.8	Very high	52 Å²	52	54.7 Å²	54.7	54%	0.536	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.6	-0.5	-176.4	0	0	0	0	0	115.4	I353 Q357 A359	I353-G355 PolarHBondContact O-N 3.19Å; G355-Q357 PolarHBondContact O-N 2.8Å; G355-Q357 VanDerWaalsContact O-N 3.16Å; G355-A359 PolarHBondContact N-O 3.07Å
356	V	94.3	Very high	96.8	Very high	67 Å²	67	49.5 Å²	49.5	41%	0.406	27%	0.265	S	S	.	.	S	Bend	trans	-69.5	109.1	162.6	176.9	0	0	0	0	107.5	I323 I353 Y354 S358 A359	I323-V356 HydrophobicContact CG1-CG1 4.47Å; I353-V356 HydrophobicContact CB-CG2 4.23Å; I353-V356 VanDerWaalsContact O-CB 3.29Å; I353-V356 WeakPolarHBondContact O-CB 3.34Å; I353-V356 WeakPolarHBondContact O-CG2 3.15Å; I353-V356 PolarHBondContact O-N 3.48Å; Y354-V356 VanDerWaalsContact C-N 3.33Å; V356-S358 PolarHBondContact O-N 3.41Å; V356-A359 WeakPolarHBondContact O-CB 3.13Å; V356-A359 PolarHBondContact O-N 2.76Å; V356-A359 VanDerWaalsContact O-N 3.09Å
357	Q	93	Very high	96.8	Very high	148 Å²	148	50.2 Å²	50.2	69%	0.692	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.8	-123.8	-166.1	-52	179.2	18.4	0	0	110.2	G355	G355-Q357 PolarHBondContact O-N 2.8Å; G355-Q357 VanDerWaalsContact O-N 3.16Å
358	S	94.5	Very high	96.8	Very high	73 Å²	73	50.5 Å²	50.5	51%	0.51	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.6	14.7	178.3	-59.3	0	0	0	0	112.9	S326 V356 Q360	S326-S358 VanDerWaalsContact OG-CB 3.29Å; S326-S358 WeakPolarHBondContact OG-CB 3.24Å; V356-S358 PolarHBondContact O-N 3.41Å; S358-Q360 PolarHBondContact O-N 2.59Å
359	A	96.4	Very high	96.8	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.008	27%	0.269	C	S	.	.			trans	-62.7	125.3	-175.9	0	0	0	0	0	111.9	A322 I323 G355 V356	A322-A359 HydrophobicContact CB-CB 4.06Å; A322-A359 WeakPolarHBondContact O-CA 3.13Å; I323-A359 HydrophobicContact CG1-CB 4.12Å; G355-A359 PolarHBondContact N-O 3.07Å; V356-A359 WeakPolarHBondContact O-CB 3.13Å; V356-A359 PolarHBondContact O-N 2.76Å; V356-A359 VanDerWaalsContact O-N 3.09Å
360	Q	96.5	Very high	96.7	Very high	90 Å²	90	48.9 Å²	48.9	42%	0.421	26%	0.264	S	S	.	.			trans	-115.9	94.6	177.9	-68.7	178.4	56.6	0	0	109.3	E328 V329 S358	E328-Q360 HydrophobicContact CG-CB 4.35Å; V329-Q360 PolarHBondContact N-O 3.18Å; S358-Q360 PolarHBondContact O-N 2.59Å
361	V	98.5	Very high	96.5	Very high	2 Å²	2	54.3 Å²	54.3	1%	0.012	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	123.8	176.9	-175.2	0	0	0	0	110	A322 V329 L331 L350 I353	A322-V361 HydrophobicContact CB-CG2 3.61Å; V329-V361 HydrophobicContact CB-CG2 4.32Å; V329-V361 WeakPolarHBondContact O-CA 3.28Å; L331-V361 HydrophobicContact CD1-CG1 4.44Å; L350-V361 HydrophobicContact CD1-CG1 4.45Å; L350-V361 HydrophobicContact CG-CG1 4.03Å; I353-V361 HydrophobicContact CD1-CG2 3.81Å; I353-V361 HydrophobicContact CG1-CB 4.38Å; I353-V361 HydrophobicContact CG1-CG2 3.72Å
362	R	98.3	Very high	96.3	Very high	80 Å²	80	53.5 Å²	53.5	30%	0.302	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	144.9	175.6	-67.6	-175.5	64.2	-178.5	1.6	111.1	V329 R330 L331 W457 E464	V329-R362 PolarHBondContact O-N 3.24Å; R330-R362 WeakPolarHBondContact CA-O 3.46Å; R330-R362 HydrophobicContact CG-CB 4.49Å; L331-R362 PolarHBondContact N-O 2.82Å; R362-W457 HydrophobicContact CB-CH2 3.79Å; R362-W457 HydrophobicContact CB-CZ2 4.03Å; R362-E464 IonicContact CZ-OE1 3.46Å; R362-E464 IonicContact CZ-OE2 3.63Å; R362-E464 IonicContact NE-OE1 2.65Å; R362-E464 PolarHBondContact NE-OE1 3.06Å; R362-E464 IonicContact NE-OE2 2.79Å; R362-E464 IonicContact NH2-OE1 3.7Å; R362-E464 PolarHBondContact NH2-OE1 3.13Å; R362-E464 IonicContact NH2-OE2 3Å; R362-E464 PolarHBondContact NH2-OE2 2.85Å
363	V	98.6	Very high	96	Very high	0 Å²	0	55 Å²	55	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	129.9	179.6	-175.6	0	0	0	0	108.5	L331 I333 L347 R351 L465	L331-V363 HydrophobicContact CB-CG1 4.36Å; L331-V363 HydrophobicContact CB-CG2 4.29Å; L331-V363 HydrophobicContact CD1-CG2 4.24Å; L331-V363 CarbonylContact O-C 3.45Å; L331-V363 WeakPolarHBondContact O-CA 3.38Å; I333-V363 HydrophobicContact CG1-CG1 4.34Å; L347-V363 HydrophobicContact CB-CG1 4.19Å; L347-V363 HydrophobicContact CD1-CG1 4.02Å; L347-V363 HydrophobicContact CD2-CG1 4.02Å; L347-V363 HydrophobicContact CG-CG1 4.3Å; R351-V363 HydrophobicContact CB-CG2 4.32Å; V363-L465 HydrophobicContact CB-CB 4.34Å; V363-L465 HydrophobicContact CB-CD2 4.5Å; V363-L465 HydrophobicContact CG1-CB 4.28Å; V363-L465 HydrophobicContact CG1-CD2 4.18Å; V363-L465 PolarHBondContact O-N 3.43Å; V363-L465 VanDerWaalsContact O-N 3.08Å
364	R	98.5	Very high	95.7	Very high	46 Å²	46	55.7 Å²	55.7	17%	0.174	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	144.1	168.9	-75.6	-174.4	175	-145.9	-19.1	110.2	L331 L332 I333 W457 T462 D463 E464	L331-R364 PolarHBondContact O-N 3.23Å; L332-R364 CarbonylContact C-O 3.48Å; L332-R364 WeakPolarHBondContact CA-O 3.4Å; L332-R364 HydrophobicContact CD1-CB 3.75Å; I333-R364 PolarHBondContact N-O 3.11Å; R364-W457 HydrophobicContact CB-CE3 4.24Å; R364-W457 HydrophobicContact CB-CH2 4.11Å; R364-W457 HydrophobicContact CB-CZ3 3.82Å; R364-W457 HydrophobicContact CG-CD2 4.48Å; R364-W457 HydrophobicContact CG-CE3 4.24Å; R364-W457 HydrophobicContact CG-CH2 3.61Å; R364-W457 HydrophobicContact CG-CZ2 3.86Å; R364-W457 HydrophobicContact CG-CZ3 3.81Å; R364-W457 PolarHBondContact NH1-O 2.96Å; R364-T462 PolarHBondContact NH1-OG1 3Å; R364-D463 CarbonylContact C-O 3.59Å; R364-D463 WeakPolarHBondContact CA-O 3.09Å; R364-D463 WeakPolarHBondContact CB-O 3.17Å; R364-E464 WeakPolarHBondContact CG-OE2 2.87Å; R364-E464 IonicContact CZ-OE2 3.38Å; R364-E464 IonicContact NE-OE2 2.75Å; R364-E464 PolarHBondContact NE-OE2 3.31Å; R364-E464 IonicContact NH2-OE2 3.09Å; R364-E464 PolarHBondContact NH2-OE2 3.28Å; R364-E464 VanDerWaalsContact NH2-OE2 3.09Å
365	Y	98.5	Very high	95.5	Very high	7 Å²	7	49 Å²	49	3%	0.027	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	142.1	159.8	-75.3	-56.2	0	0	0	110	I333 K335 E344 L347 T462 D463 L465	I333-Y365 HydrophobicContact CB-CD1 4.09Å; I333-Y365 HydrophobicContact CB-CE1 4.19Å; I333-Y365 HydrophobicContact CG2-CD1 4.37Å; I333-Y365 HydrophobicContact CG2-CE1 4.14Å; I333-Y365 CarbonylContact O-C 3.53Å; I333-Y365 VanDerWaalsContact O-CA 3.24Å; I333-Y365 WeakPolarHBondContact O-CA 3.19Å; K335-Y365 HydrophobicContact CB-CD1 3.63Å; K335-Y365 HydrophobicContact CB-CD2 4.46Å; K335-Y365 HydrophobicContact CB-CE1 4.26Å; K335-Y365 HydrophobicContact CB-CG 3.74Å; K335-Y365 HydrophobicContact CD-CD1 4.2Å; K335-Y365 HydrophobicContact CD-CD2 3.6Å; K335-Y365 HydrophobicContact CD-CE1 4.48Å; K335-Y365 HydrophobicContact CD-CE2 3.88Å; K335-Y365 HydrophobicContact CD-CG 3.75Å; K335-Y365 HydrophobicContact CG-CD1 4.43Å; K335-Y365 HydrophobicContact CG-CG 4.37Å; E344-Y365 WeakPolarHBondContact CA-OH 3.23Å; E344-Y365 WeakPolarHBondContact CB-OH 3.5Å; E344-Y365 HydrophobicContact CG-CE2 4.42Å; L347-Y365 HydrophobicContact CD1-CE1 3.78Å; Y365-T462 CarbonylContact O-C 3.52Å; Y365-T462 WeakPolarHBondContact O-CA 3.44Å; Y365-T462 WeakPolarHBondContact O-CB 3.33Å; Y365-D463 PolarHBondContact N-O 3.22Å; Y365-D463 PolarHBondContact O-N 3.22Å; Y365-L465 HydrophobicContact CD2-CB 4.38Å; Y365-L465 HydrophobicContact CE2-CB 4.35Å; Y365-L465 HydrophobicContact CE2-CD1 3.87Å; Y365-L465 HydrophobicContact CE2-CD2 4.36Å; Y365-L465 HydrophobicContact CE2-CG 4.42Å
366	F	98.5	Very high	95.5	Very high	1 Å²	1	52.8 Å²	52.8	0%	0.004	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	123.2	163.9	-165.4	-73	0	0	0	108.1	F64 K194 L332 I333 K335 V368 N384 D456 F461 T462	F64-F366 HydrophobicContact CZ-CZ 4.32Å; K194-F366 HydrophobicContact CD-CE1 4.01Å; K194-F366 HydrophobicContact CD-CE2 4.47Å; K194-F366 HydrophobicContact CD-CZ 3.89Å; L332-F366 HydrophobicContact CD1-CB 3.91Å; L332-F366 HydrophobicContact CD1-CD2 4.28Å; L332-F366 HydrophobicContact CD2-CD2 4.03Å; L332-F366 HydrophobicContact CG-CB 4.09Å; L332-F366 HydrophobicContact CG-CD2 4.4Å; I333-F366 PolarHBondContact O-N 2.82Å; K335-F366 PolarHBondContact N-O 3.37Å; F366-V368 HydrophobicContact CD1-CG2 4.09Å; F366-V368 HydrophobicContact CE1-CG2 3.83Å; F366-N384 HydrophobicContact CB-CB 4.09Å; F366-N384 HydrophobicContact CD1-CB 3.75Å; F366-N384 HydrophobicContact CG-CB 4.1Å; F366-D456 HydrophobicContact CD2-CB 4.26Å; F366-D456 HydrophobicContact CE2-CB 3.92Å; F366-F461 WeakPolarHBondContact CA-O 3.31Å; F366-F461 HydrophobicContact CD1-CB 4.45Å; F366-F461 HydrophobicContact CE1-CB 3.89Å; F366-F461 HydrophobicContact CE2-CB 3.99Å; F366-F461 HydrophobicContact CZ-CB 3.64Å; F366-F461 HydrophobicContact CZ-CD2 4.02Å; F366-F461 HydrophobicContact CZ-CG 4.17Å; F366-T462 HydrophobicContact CB-CG2 4.39Å; F366-T462 HydrophobicContact CD2-CG2 3.52Å; F366-T462 HydrophobicContact CE2-CG2 4.13Å; F366-T462 HydrophobicContact CG-CG2 4.25Å
367	I	98.3	Very high	95.3	Very high	59 Å²	59	57.3 Å²	57.3	30%	0.303	28%	0.28	S	S	.	.			trans	-115.1	118.2	179.5	-60.3	168.8	0	0	0	107.3	K335 P369 F461 D463	K335-I367 HydrophobicContact CB-CG1 3.91Å; K335-I367 HydrophobicContact CG-CG1 4.41Å; I367-P369 VanDerWaalsContact O-CD 3.24Å; I367-P369 WeakPolarHBondContact O-CD 3.48Å; I367-F461 PolarHBondContact N-O 3Å; I367-D463 WeakPolarHBondContact CD1-OD2 3.43Å
368	V	98.1	Very high	95.3	Very high	7 Å²	7	51.1 Å²	51.1	4%	0.042	25%	0.251	C	S	.	.			trans	-81	114.2	172.2	178.5	0	0	0	0	107.9	P59 V62 K194 F366 R382	P59-V368 HydrophobicContact CB-CG1 3.74Å; P59-V368 HydrophobicContact CG-CG1 3.65Å; P59-V368 HydrophobicContact CG-CG2 4.23Å; V62-V368 HydrophobicContact CG2-CG1 4.04Å; K194-V368 HydrophobicContact CB-CG2 4.47Å; F366-V368 HydrophobicContact CD1-CG2 4.09Å; F366-V368 HydrophobicContact CE1-CG2 3.83Å; V368-R382 VanDerWaalsContact CB-C 3.46Å; V368-R382 HydrophobicContact CB-CB 4.18Å; V368-R382 HydrophobicContact CG1-CB 3.94Å
369	P	97.2	Very high	95.1	Very high	30 Å²	30	50.6 Å²	50.6	20%	0.195	25%	0.246	C	C	.	.			trans	-68.4	155.9	-177.2	27.2	-34.7	0	0	0	111.6	V62 I367 Y371 R382 F461	V62-P369 HydrophobicContact CG2-CG 4.36Å; I367-P369 VanDerWaalsContact O-CD 3.24Å; I367-P369 WeakPolarHBondContact O-CD 3.48Å; P369-Y371 HydrophobicContact CB-CE1 4.12Å; P369-Y371 HydrophobicContact CB-CE2 4.07Å; P369-Y371 HydrophobicContact CG-CD2 4.47Å; P369-Y371 HydrophobicContact CG-CE1 4.14Å; P369-Y371 HydrophobicContact CG-CE2 3.55Å; P369-Y371 WeakPolarHBondContact CG-OH 3.17Å; P369-R382 PolarHBondContact O-NE 2.78Å; P369-R382 PolarHBondContact O-NH2 3.2Å; P369-F461 HydrophobicContact CG-CD1 3.86Å; P369-F461 HydrophobicContact CG-CE1 3.93Å
370	S	95.8	Very high	95	Very high	42 Å²	42	57.4 Å²	57.4	29%	0.294	27%	0.273	S	S	.	.			trans	-114	116.9	164.9	-60	0	0	0	0	108.6	R382	S370-R382 WeakPolarHBondContact OG-CG 3.46Å
371	Y	94.2	Very high	94.9	Very high	114 Å²	114	53.6 Å²	53.6	45%	0.447	26%	0.257	S	S	.	.			trans	-93.8	-18.4	-175.2	-59.4	-78.1	0	0	0	113.2	N61 P369 F461	N61-Y371 HydrophobicContact CB-CD2 3.52Å; N61-Y371 HydrophobicContact CB-CE2 3.78Å; N61-Y371 HydrophobicContact CB-CG 4.44Å; N61-Y371 WeakPolarHBondContact O-CE2 3.27Å; P369-Y371 HydrophobicContact CB-CE1 4.12Å; P369-Y371 HydrophobicContact CB-CE2 4.07Å; P369-Y371 HydrophobicContact CG-CD2 4.47Å; P369-Y371 HydrophobicContact CG-CE1 4.14Å; P369-Y371 HydrophobicContact CG-CE2 3.55Å; P369-Y371 WeakPolarHBondContact CG-OH 3.17Å; Y371-F461 WeakPolarHBondContact OH-CE1 3.26Å
372	T	92.4	Very high	94.9	Very high	63 Å²	63	54.2 Å²	54.2	39%	0.387	26%	0.259	S	S	.	.	S	Bend	trans	-126.5	154.5	-179.8	67.3	0	0	0	0	111.1	A374 Q375 K376	T372-A374 PolarHBondContact O-N 3.48Å; T372-Q375 PolarHBondContact O-N 3.2Å; T372-Q375 VanDerWaalsContact O-N 3.13Å; T372-Q375 WeakPolarHBondContact OG1-CG 3.37Å; T372-Q375 PolarHBondContact OG1-N 3.35Å; T372-Q375 VanDerWaalsContact OG1-N 3.17Å; T372-K376 PolarHBondContact O-N 3.23Å; T372-K376 VanDerWaalsContact O-N 3.16Å
373	D	90.6	Very high	94.8	Very high	110 Å²	110	50.6 Å²	50.6	59%	0.588	25%	0.246	S	C	*	.	H	α-helix	trans	-66.4	-23.7	174.2	-64.8	-30.4	0	0	0	112.3	K376 R377	D373-K376 IonicContact OD1-NZ 2.89Å; D373-K376 PolarHBondContact OD1-NZ 3Å; D373-R377 WeakPolarHBondContact O-CG 3.39Å; D373-R377 PolarHBondContact O-N 3.17Å; D373-R377 PolarHBondContact O-NE 3.2Å
374	A	88.6	Confident	94.8	Very high	32 Å²	32	50.6 Å²	50.6	26%	0.264	25%	0.246	S	C	.	.	H	α-helix	trans	-62.6	-47.4	169.6	0	0	0	0	0	111.2	T372 K376 R377 I378	T372-A374 PolarHBondContact O-N 3.48Å; A374-K376 PolarHBondContact O-N 3.28Å; A374-R377 PolarHBondContact O-N 3.43Å; A374-I378 WeakPolarHBondContact O-CG1 3.32Å
375	Q	92.2	Very high	94.8	Very high	6 Å²	6	49 Å²	49	3%	0.028	24%	0.24	C	C	.	.	H	α-helix	trans	-62.4	-41	177.4	-76.5	170.2	-15.7	0	0	112.6	N61 T372 R377 I378	N61-Q375 PolarHBondContact OD1-NE2 3.38Å; T372-Q375 PolarHBondContact O-N 3.2Å; T372-Q375 VanDerWaalsContact O-N 3.13Å; T372-Q375 WeakPolarHBondContact OG1-CG 3.37Å; T372-Q375 PolarHBondContact OG1-N 3.35Å; T372-Q375 VanDerWaalsContact OG1-N 3.17Å; Q375-R377 PolarHBondContact O-N 2.96Å; Q375-I378 PolarHBondContact O-N 3.44Å; Q375-I378 VanDerWaalsContact O-N 3.17Å
376	K	92.1	Very high	94.8	Very high	131 Å²	131	48.7 Å²	48.7	57%	0.57	24%	0.239	S	C	*	.	H	α-helix	trans	-61.8	-27.6	178.4	-66.2	176.1	-165.7	158.2	0	113.2	T372 D373 A374	T372-K376 PolarHBondContact O-N 3.23Å; T372-K376 VanDerWaalsContact O-N 3.16Å; D373-K376 IonicContact OD1-NZ 2.89Å; D373-K376 PolarHBondContact OD1-NZ 3Å; A374-K376 PolarHBondContact O-N 3.28Å
377	R	90.7	Very high	94.8	Very high	161 Å²	161	48.8 Å²	48.8	61%	0.608	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-10.7	179.6	-74	-174.3	-64.9	130.6	-5.2	113.9	L104 D373 A374 Q375 P379	L104-R377 HydrophobicContact CD2-CB 4.49Å; D373-R377 WeakPolarHBondContact O-CG 3.39Å; D373-R377 PolarHBondContact O-N 3.17Å; D373-R377 PolarHBondContact O-NE 3.2Å; A374-R377 PolarHBondContact O-N 3.43Å; Q375-R377 PolarHBondContact O-N 2.96Å; R377-P379 VanDerWaalsContact O-CD 3.3Å; R377-P379 WeakPolarHBondContact O-CD 3.37Å
378	I	91.9	Very high	94.8	Very high	18 Å²	18	46 Å²	46	9%	0.092	23%	0.225	C	C	.	.	S	Bend	trans	-78.1	115.8	-178.7	-53.4	172.9	0	0	0	109.1	L104 W187 R188 Q192 A374 Q375 A381	L104-I378 HydrophobicContact CD1-CG1 4.34Å; L104-I378 HydrophobicContact CD1-CG2 4.31Å; L104-I378 HydrophobicContact CD2-CG1 4.41Å; W187-I378 HydrophobicContact CH2-CD1 4.05Å; W187-I378 HydrophobicContact CH2-CG1 4.29Å; W187-I378 HydrophobicContact CH2-CG2 3.44Å; W187-I378 VanDerWaalsContact CH2-CG2 3.44Å; W187-I378 HydrophobicContact CZ2-CG2 3.96Å; W187-I378 HydrophobicContact CZ3-CD1 4.42Å; W187-I378 HydrophobicContact CZ3-CG2 4.33Å; R188-I378 HydrophobicContact CG-CG2 3.92Å; Q192-I378 HydrophobicContact CG-CD1 3.9Å; A374-I378 WeakPolarHBondContact O-CG1 3.32Å; Q375-I378 PolarHBondContact O-N 3.44Å; Q375-I378 VanDerWaalsContact O-N 3.17Å; I378-A381 HydrophobicContact CB-CB 3.77Å; I378-A381 HydrophobicContact CG2-CB 3.45Å; I378-A381 VanDerWaalsContact CG2-CB 3.45Å
379	P	92.2	Very high	94.9	Very high	63 Å²	63	45.6 Å²	45.6	41%	0.409	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	143.1	-178.7	30.7	-35.4	0	0	0	111.8	R188 R377 A381	R188-P379 VanDerWaalsContact CD-O 3.22Å; R188-P379 WeakPolarHBondContact CD-O 3.25Å; R188-P379 PolarHBondContact NH1-O 3Å; R377-P379 VanDerWaalsContact O-CD 3.3Å; R377-P379 WeakPolarHBondContact O-CD 3.37Å; P379-A381 PolarHBondContact O-N 3.37Å; P379-A381 VanDerWaalsContact O-N 3.11Å
380	Y	94	Very high	94.9	Very high	143 Å²	143	44.2 Å²	44.2	56%	0.561	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.3	26	179.9	-47.1	-79.5	0	0	0	114.5	W336 H338	W336-Y380 HydrophobicContact CZ3-CD1 4.5Å; H338-Y380 AromaticContact CE1-CD1 3.83Å; H338-Y380 AromaticContact CE1-CE1 3.46Å; H338-Y380 VanDerWaalsContact CE1-CE1 3.46Å; H338-Y380 WeakPolarHBondContact CE1-CE1 3.43Å; H338-Y380 AromaticContact NE2-CD1 3.52Å; H338-Y380 AromaticContact NE2-CE1 3.66Å
381	A	94.6	Very high	95.1	Very high	10 Å²	10	42.2 Å²	42.2	8%	0.083	20%	0.2	C	C	.	.			trans	-99.5	-176.8	173.5	0	0	0	0	0	111.1	Q192 I378 P379 V383	Q192-A381 HydrophobicContact CB-CB 3.8Å; I378-A381 HydrophobicContact CB-CB 3.77Å; I378-A381 HydrophobicContact CG2-CB 3.45Å; I378-A381 VanDerWaalsContact CG2-CB 3.45Å; P379-A381 PolarHBondContact O-N 3.37Å; P379-A381 VanDerWaalsContact O-N 3.11Å; A381-V383 PolarHBondContact O-N 2.89Å
382	R	96.6	Very high	95.3	Very high	15 Å²	15	38.1 Å²	38.1	6%	0.057	19%	0.185	C	C	.	.	S	Bend	trans	54.2	54.6	170.8	-43.5	-55.1	-64	-176.7	3.6	111.5	E60 Q192 V368 P369 S370	E60-R382 PolarHBondContact O-NH1 2.99Å; E60-R382 PolarHBondContact O-NH2 2.96Å; Q192-R382 WeakPolarHBondContact O-CA 3.34Å; Q192-R382 PolarHBondContact O-N 2.69Å; V368-R382 VanDerWaalsContact CB-C 3.46Å; V368-R382 HydrophobicContact CB-CB 4.18Å; V368-R382 HydrophobicContact CG1-CB 3.94Å; P369-R382 PolarHBondContact O-NE 2.78Å; P369-R382 PolarHBondContact O-NH2 3.2Å; S370-R382 WeakPolarHBondContact OG-CG 3.46Å
383	V	98	Very high	95.5	Very high	4 Å²	4	38.5 Å²	38.5	2%	0.024	18%	0.182	C	C	.	.			trans	-134.9	145.3	-178.7	56.6	0	0	0	0	110.1	V193 K194 M293 S334 W336 A381 H385	V193-V383 HydrophobicContact CB-CG1 4.38Å; V193-V383 HydrophobicContact CG1-CG1 3.74Å; V193-V383 HydrophobicContact CG2-CG1 3.92Å; K194-V383 PolarHBondContact N-O 3.07Å; M293-V383 HydrophobicContact CE-CG2 4.38Å; M293-V383 HydrophobicContact CG-CG2 4.18Å; S334-V383 VanDerWaalsContact OG-CG2 3.28Å; S334-V383 WeakPolarHBondContact OG-CG2 3.41Å; W336-V383 HydrophobicContact CB-CB 4.29Å; W336-V383 HydrophobicContact CB-CG2 4.21Å; W336-V383 HydrophobicContact CD2-CB 3.77Å; W336-V383 HydrophobicContact CD2-CG2 3.34Å; W336-V383 HydrophobicContact CE3-CB 3.57Å; W336-V383 HydrophobicContact CE3-CG1 4.04Å; W336-V383 HydrophobicContact CE3-CG2 3.64Å; W336-V383 HydrophobicContact CG-CB 4.06Å; W336-V383 HydrophobicContact CG-CG2 3.57Å; W336-V383 HydrophobicContact CZ2-CG2 4.39Å; W336-V383 HydrophobicContact CZ3-CB 4.2Å; W336-V383 HydrophobicContact CZ3-CG1 4.18Å; W336-V383 HydrophobicContact CZ3-CG2 4.23Å; A381-V383 PolarHBondContact O-N 2.89Å; V383-H385 HydrophobicContact CG1-CB 4.4Å; V383-H385 PolarHBondContact O-N 3.18Å
384	N	98.3	Very high	95.9	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	15%	0.154	C	C	.	.	B	Isolated β-bridge	trans	-82	94.6	167.9	178	33	0	0	0	109.1	M293 S334 F366 N386	M293-N384 WeakPolarHBondContact CA-O 3.33Å; M293-N384 WeakPolarHBondContact CB-O 3.34Å; S334-N384 WeakPolarHBondContact CB-O 3.26Å; S334-N384 PolarHBondContact OG-N 3.29Å; S334-N384 PolarHBondContact OG-O 2.61Å; F366-N384 HydrophobicContact CB-CB 4.09Å; F366-N384 HydrophobicContact CD1-CB 3.75Å; F366-N384 HydrophobicContact CG-CB 4.1Å; N384-N386 VanDerWaalsContact C-N 3.33Å; N384-N386 PolarHBondContact O-N 3.04Å; N384-N386 PolarHBondContact OD1-ND2 2.9Å
385	H	98.4	Very high	96.4	Very high	13 Å²	13	31.9 Å²	31.9	6%	0.06	14%	0.142	C	C	.	.			trans	-94.5	16.6	-171.7	-167.2	-107.2	0	0	0	113	S182 V193 K194 E195 M293 V383 K387	S182-H385 WeakPolarHBondContact CB-O 3.35Å; S182-H385 PolarHBondContact O-CE1 3.47Å; S182-H385 PolarHBondContact O-ND1 2.91Å; S182-H385 PolarHBondContact OG-O 3.04Å; V193-H385 HydrophobicContact CG1-CB 3.24Å; K194-H385 CarbonylContact O-C 3.5Å; K194-H385 WeakPolarHBondContact O-CA 3.03Å; K194-H385 WeakPolarHBondContact O-CB 3.41Å; K194-H385 PolarHBondContact O-N 3.13Å; E195-H385 IonicContact OE1-CG 2.76Å; E195-H385 IonicContact OE1-ND1 3.74Å; E195-H385 PolarHBondContact OE1-ND1 2.79Å; E195-H385 WeakPolarHBondContact OE2-CB 3.37Å; E195-H385 IonicContact OE2-CE1 3.59Å; E195-H385 IonicContact OE2-CG 3.33Å; E195-H385 IonicContact OE2-ND1 2.68Å; E195-H385 PolarHBondContact OE2-ND1 3.36Å; M293-H385 PolarHBondContact SD-CD2 3.44Å; V383-H385 HydrophobicContact CG1-CB 4.4Å; V383-H385 PolarHBondContact O-N 3.18Å; H385-K387 PolarHBondContact CD2-NZ 2.87Å; H385-K387 VanDerWaalsContact CD2-NZ 3.29Å; H385-K387 VanDerWaalsContact CE1-CE 3.5Å; H385-K387 WeakPolarHBondContact CE1-CE 3.34Å; H385-K387 PolarHBondContact NE2-NZ 2.71Å; H385-K387 WeakPolarHBondContact O-CD 3.23Å; H385-K387 WeakPolarHBondContact O-CE 3.3Å; H385-K387 PolarHBondContact O-NZ 3.19Å
386	N	98.3	Very high	96.7	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	14%	0.141	C	C	.	.			trans	-61.2	158	176.1	-69.2	-12.2	0	0	0	113.4	K194 E195 L196 A291 V292 M293 N384 Y388	K194-N386 PolarHBondContact O-OD1 2.94Å; E195-N386 WeakPolarHBondContact CA-OD1 3.15Å; L196-N386 WeakPolarHBondContact CB-OD1 3.45Å; L196-N386 PolarHBondContact N-OD1 2.84Å; L196-N386 VanDerWaalsContact N-OD1 3.11Å; A291-N386 HydrophobicContact CB-CB 4.47Å; A291-N386 CarbonylContact O-C 3.43Å; V292-N386 CarbonylContact C-O 3.01Å; V292-N386 VanDerWaalsContact CA-O 3.28Å; V292-N386 WeakPolarHBondContact CA-O 3.33Å; M293-N386 PolarHBondContact N-O 3.31Å; N384-N386 VanDerWaalsContact C-N 3.33Å; N384-N386 PolarHBondContact O-N 3.04Å; N384-N386 PolarHBondContact OD1-ND2 2.9Å; N386-Y388 HydrophobicContact CB-CD1 3.97Å; N386-Y388 HydrophobicContact CB-CE1 4.12Å
387	K	98.5	Very high	97	Very high	3 Å²	3	25.5 Å²	25.5	1%	0.013	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	68.1	171	-59.7	93.7	177.6	72.2	0	110.7	H385 G398 S400 N401	H385-K387 PolarHBondContact CD2-NZ 2.87Å; H385-K387 VanDerWaalsContact CD2-NZ 3.29Å; H385-K387 VanDerWaalsContact CE1-CE 3.5Å; H385-K387 WeakPolarHBondContact CE1-CE 3.34Å; H385-K387 PolarHBondContact NE2-NZ 2.71Å; H385-K387 WeakPolarHBondContact O-CD 3.23Å; H385-K387 WeakPolarHBondContact O-CE 3.3Å; H385-K387 PolarHBondContact O-NZ 3.19Å; K387-G398 PolarHBondContact O-N 3.49Å; K387-S400 WeakPolarHBondContact CB-O 3.49Å; K387-S400 WeakPolarHBondContact CG-O 3.28Å; K387-N401 PolarHBondContact NZ-OD1 2.79Å
388	Y	98.9	Very high	97.4	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	159.8	-178.9	77.5	-100.2	0	0	0	113.3	L196 A291 N386 V390 Y396 L449 F453	L196-Y388 HydrophobicContact CB-CD1 4.45Å; L196-Y388 HydrophobicContact CD1-CD1 4.04Å; L196-Y388 HydrophobicContact CD1-CE1 3.9Å; L196-Y388 HydrophobicContact CD2-CD1 3.87Å; L196-Y388 HydrophobicContact CD2-CG 4.29Å; L196-Y388 HydrophobicContact CG-CD1 4.35Å; A291-Y388 HydrophobicContact CB-CD1 4.09Å; A291-Y388 HydrophobicContact CB-CE1 3.5Å; A291-Y388 VanDerWaalsContact CB-CE1 3.5Å; A291-Y388 HydrophobicContact CB-CE2 4.08Å; A291-Y388 VanDerWaalsContact CB-CZ 3.47Å; A291-Y388 PolarHBondContact N-O 2.83Å; A291-Y388 PolarHBondContact O-N 3.41Å; N386-Y388 HydrophobicContact CB-CD1 3.97Å; N386-Y388 HydrophobicContact CB-CE1 4.12Å; Y388-V390 HydrophobicContact CE2-CG1 4.44Å; Y388-Y396 CarbonylContact C-O 3.48Å; Y388-Y396 WeakPolarHBondContact CA-O 3.42Å; Y388-Y396 VanDerWaalsContact CB-O 3.28Å; Y388-Y396 WeakPolarHBondContact CB-O 3.47Å; Y388-L449 HydrophobicContact CD1-CD1 4.19Å; Y388-L449 HydrophobicContact CD2-CD1 3.62Å; Y388-L449 HydrophobicContact CD2-CD2 3.8Å; Y388-L449 HydrophobicContact CD2-CG 3.72Å; Y388-L449 HydrophobicContact CE1-CD1 4.3Å; Y388-L449 HydrophobicContact CE2-CD1 3.79Å; Y388-L449 HydrophobicContact CE2-CD2 4.46Å; Y388-L449 HydrophobicContact CE2-CG 3.91Å; Y388-L449 HydrophobicContact CG-CD1 3.85Å; Y388-L449 HydrophobicContact CG-CD2 4.33Å; Y388-L449 HydrophobicContact CG-CG 4.38Å; Y388-F453 HydrophobicContact CE2-CB 4.14Å; Y388-F453 HydrophobicContact CE2-CD2 4.16Å; Y388-F453 WeakPolarHBondContact OH-CA 3.32Å; Y388-F453 WeakPolarHBondContact OH-CB 3.36Å; Y388-F453 PolarHBondContact OH-N 3.38Å
389	M	98.9	Very high	97.7	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	142.7	170	171.8	176.9	50.4	0	0	109.2	L277 V280 I281 I288 Y289 I290 T391 Y396 W402	L277-M389 HydrophobicContact CG-CE 4.23Å; V280-M389 HydrophobicContact CB-CE 3.61Å; V280-M389 HydrophobicContact CG1-CE 3.43Å; V280-M389 VanDerWaalsContact CG1-CE 3.43Å; V280-M389 HydrophobicContact CG1-SD 4.2Å; I281-M389 HydrophobicContact CD1-SD 4.47Å; I281-M389 HydrophobicContact CG1-CE 4Å; I281-M389 HydrophobicContact CG1-SD 3.67Å; I288-M389 HydrophobicContact CG2-CG 4.07Å; I288-M389 HydrophobicContact CG2-SD 3.64Å; Y289-M389 CarbonylContact O-C 3.6Å; Y289-M389 VanDerWaalsContact O-CA 3.27Å; Y289-M389 WeakPolarHBondContact O-CA 3.31Å; I290-M389 HydrophobicContact CD1-SD 4.45Å; I290-M389 HydrophobicContact CG1-CB 4.05Å; I290-M389 HydrophobicContact CG1-CG 3.85Å; I290-M389 HydrophobicContact CG1-SD 4.11Å; M389-T391 HydrophobicContact CG-CG2 4.35Å; M389-T391 HydrophobicContact SD-CG2 4.46Å; M389-Y396 HydrophobicContact CE-CG 4.43Å; M389-Y396 PolarHBondContact N-O 2.91Å; M389-Y396 PolarHBondContact O-N 2.55Å; M389-W402 HydrophobicContact CB-CH2 3.85Å; M389-W402 HydrophobicContact CB-CZ2 3.98Å; M389-W402 HydrophobicContact CE-CH2 4.12Å; M389-W402 HydrophobicContact CG-CH2 4.35Å; M389-W402 HydrophobicContact SD-CH2 3.89Å
390	V	98.9	Very high	98	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	133	171.7	61.9	0	0	0	0	109.5	Y289 Y388 T394 R446 L449 E450 F453	Y289-V390 HydrophobicContact CD2-CG1 4.43Å; Y289-V390 PolarHBondContact N-O 2.91Å; Y289-V390 PolarHBondContact O-N 2.92Å; Y388-V390 HydrophobicContact CE2-CG1 4.44Å; V390-T394 WeakPolarHBondContact CA-O 3.23Å; V390-R446 HydrophobicContact CG2-CG 3.96Å; V390-R446 WeakPolarHBondContact CG2-O 3.37Å; V390-L449 HydrophobicContact CB-CB 4.46Å; V390-L449 HydrophobicContact CB-CD2 3.99Å; V390-L449 HydrophobicContact CB-CG 4.09Å; V390-L449 HydrophobicContact CG2-CB 4.38Å; V390-E450 HydrophobicContact CG1-CB 4.41Å; V390-E450 HydrophobicContact CG2-CB 4.11Å; V390-F453 HydrophobicContact CG1-CB 4.32Å
391	T	98.8	Very high	98.2	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.036	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	-177.8	174.7	73.5	0	0	0	0	109.7	V280 A284 F287 I288 M389 K393 T394 R446	V280-T391 HydrophobicContact CG1-CG2 3.66Å; A284-T391 HydrophobicContact CB-CG2 3.83Å; F287-T391 WeakPolarHBondContact CE2-O 3.47Å; F287-T391 VanDerWaalsContact CZ-C 3.46Å; F287-T391 WeakPolarHBondContact CZ-O 3.4Å; F287-T391 VanDerWaalsContact O-CA 3.24Å; F287-T391 WeakPolarHBondContact O-CA 3.36Å; F287-T391 WeakPolarHBondContact O-CB 3.48Å; I288-T391 HydrophobicContact CG1-CG2 4.07Å; M389-T391 HydrophobicContact CG-CG2 4.35Å; M389-T391 HydrophobicContact SD-CG2 4.46Å; T391-K393 PolarHBondContact O-N 2.83Å; T391-K393 PolarHBondContact OG1-N 3.26Å; T391-K393 VanDerWaalsContact OG1-N 3.16Å; T391-T394 PolarHBondContact N-O 3.36Å; T391-T394 PolarHBondContact OG1-N 2.98Å; T391-T394 PolarHBondContact OG1-O 2.8Å; T391-R446 PolarHBondContact O-NH1 3.07Å
392	D	97.9	Very high	98.4	Very high	28 Å²	28	7 Å²	7	15%	0.15	3%	0.033	C	C	.	.	S	Bend	trans	-63.5	-15.4	171.4	56.8	-66.5	0	0	0	113.5	E285 K286 F287	E285-D392 PolarHBondContact N-OD1 2.84Å; K286-D392 HydrophobicContact CB-CB 3.93Å; K286-D392 HydrophobicContact CD-CB 4.23Å; K286-D392 HydrophobicContact CG-CB 4.27Å; K286-D392 PolarHBondContact N-OD1 3.13Å; F287-D392 HydrophobicContact CD1-CB 4.05Å; F287-D392 HydrophobicContact CE1-CB 3.75Å; F287-D392 HydrophobicContact CZ-CB 4.26Å
393	K	97.5	Very high	98.4	Very high	72 Å²	72	6.4 Å²	6.4	31%	0.313	3%	0.031	S	C	.	.	S	Bend	trans	-120.8	-34.9	-175.3	-60	179.2	-176.5	174.2	0	114.6	S283 E285 T391 R446	S283-K393 WeakPolarHBondContact O-CD 3.27Å; S283-K393 PolarHBondContact O-NZ 3.01Å; E285-K393 VanDerWaalsContact CD-CE 3.45Å; E285-K393 IonicContact OE1-NZ 3.49Å; E285-K393 PolarHBondContact OE1-NZ 3.05Å; E285-K393 IonicContact OE2-NZ 3.79Å; T391-K393 PolarHBondContact O-N 2.83Å; T391-K393 PolarHBondContact OG1-N 3.26Å; T391-K393 VanDerWaalsContact OG1-N 3.16Å; K393-R446 VanDerWaalsContact C-CD 3.43Å; K393-R446 WeakPolarHBondContact O-CD 3.09Å
394	T	98.6	Very high	98.4	Very high	1 Å²	1	6.2 Å²	6.2	1%	0.006	3%	0.03	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	142.6	-163.6	-44.7	0	0	0	0	111.3	V280 V390 T391 V416 Y417 E418	V280-T394 HydrophobicContact CG1-CG2 4.07Å; V280-T394 HydrophobicContact CG2-CG2 3.73Å; V390-T394 WeakPolarHBondContact CA-O 3.23Å; T391-T394 PolarHBondContact N-O 3.36Å; T391-T394 PolarHBondContact OG1-N 2.98Å; T391-T394 PolarHBondContact OG1-O 2.8Å; T394-V416 HydrophobicContact CG2-CG1 3.44Å; T394-V416 VanDerWaalsContact CG2-CG1 3.44Å; T394-Y417 WeakPolarHBondContact CA-O 3.42Å; T394-Y417 WeakPolarHBondContact CG2-O 3.38Å; T394-E418 HydrophobicContact CG2-CG 3.69Å; T394-E418 PolarHBondContact OG1-OE1 2.55Å
395	A	98.8	Very high	98.4	Very high	1 Å²	1	6.5 Å²	6.5	1%	0.008	3%	0.031	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	132.1	165.1	0	0	0	0	0	109.5	V416 Y417 R446 L449	A395-V416 WeakPolarHBondContact O-CA 3.34Å; A395-Y417 HydrophobicContact CB-CD1 4.43Å; A395-Y417 PolarHBondContact N-O 2.88Å; A395-Y417 PolarHBondContact O-N 3.17Å; A395-R446 HydrophobicContact CB-CB 4.29Å; A395-R446 HydrophobicContact CB-CG 4.37Å; A395-L449 HydrophobicContact CB-CD2 3.66Å
396	Y	98.9	Very high	98.4	Very high	2 Å²	2	6.9 Å²	6.9	1%	0.008	3%	0.032	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	117.6	174.7	176.1	-78.3	0	0	0	107.8	D273 L277 Y388 M389 A414 F415 V416	D273-Y396 PolarHBondContact OD1-OH 3.4Å; D273-Y396 PolarHBondContact OD2-OH 3.03Å; L277-Y396 HydrophobicContact CB-CE2 4.07Å; L277-Y396 HydrophobicContact CD1-CE1 4.35Å; Y388-Y396 CarbonylContact C-O 3.48Å; Y388-Y396 WeakPolarHBondContact CA-O 3.42Å; Y388-Y396 VanDerWaalsContact CB-O 3.28Å; Y388-Y396 WeakPolarHBondContact CB-O 3.47Å; M389-Y396 HydrophobicContact CE-CG 4.43Å; M389-Y396 PolarHBondContact N-O 2.91Å; M389-Y396 PolarHBondContact O-N 2.55Å; Y396-A414 HydrophobicContact CD1-CB 4.42Å; Y396-A414 HydrophobicContact CD2-CB 4.12Å; Y396-A414 HydrophobicContact CE1-CB 3.77Å; Y396-A414 HydrophobicContact CE2-CB 3.39Å; Y396-A414 VanDerWaalsContact OH-CB 3.25Å; Y396-A414 WeakPolarHBondContact OH-CB 3.43Å; Y396-F415 WeakPolarHBondContact CA-O 3.34Å; Y396-V416 HydrophobicContact CD2-CG2 3.77Å; Y396-V416 HydrophobicContact CE2-CG2 4.27Å
397	I	98.9	Very high	98.4	Very high	1 Å²	1	7 Å²	7	1%	0.005	3%	0.032	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	113.6	-179.9	-60.9	169.2	0	0	0	107.9	L54 L196 V198 A414 F415 L449	L54-I397 HydrophobicContact CD2-CD1 3.56Å; L196-I397 HydrophobicContact CD2-CD1 4.13Å; L196-I397 HydrophobicContact CD2-CG1 4.13Å; L196-I397 HydrophobicContact CD2-CG2 3.87Å; V198-I397 HydrophobicContact CG1-CD1 3.54Å; I397-A414 CarbonylContact O-C 3.52Å; I397-A414 VanDerWaalsContact O-CA 3.3Å; I397-A414 WeakPolarHBondContact O-CA 3.44Å; I397-F415 PolarHBondContact N-O 3.07Å; I397-F415 PolarHBondContact O-N 2.93Å; I397-L449 HydrophobicContact CD1-CD1 4.43Å; I397-L449 HydrophobicContact CD1-CD2 4.1Å; I397-L449 HydrophobicContact CG1-CD2 3.84Å
398	G	98.6	Very high	98.4	Very high	1 Å²	1	9.7 Å²	9.7	1%	0.01	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	-179.1	-173.6	0	0	0	0	0	114.7	K387 V413	K387-G398 PolarHBondContact O-N 3.49Å; G398-V413 CarbonylContact C-O 3.59Å; G398-V413 VanDerWaalsContact CA-O 3.31Å; G398-V413 WeakPolarHBondContact CA-O 3.34Å
399	T	98.6	Very high	98.3	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	6%	0.06	C	C	.	.	S	Bend	trans	-106.2	-9.3	174.2	62.3	0	0	0	0	112.9	H167 K169 L180 G181 G412 V413	H167-T399 PolarHBondContact CE1-O 2.94Å; H167-T399 PolarHBondContact ND1-O 3.38Å; K169-T399 HydrophobicContact CD-CG2 4.4Å; L180-T399 HydrophobicContact CD1-CG2 3.72Å; L180-T399 HydrophobicContact CG-CG2 4.48Å; G181-T399 WeakPolarHBondContact O-CG2 3.31Å; T399-G412 WeakPolarHBondContact OG1-CA 3.43Å; T399-V413 PolarHBondContact N-O 3.29Å; T399-V413 PolarHBondContact OG1-N 3.01Å; T399-V413 PolarHBondContact OG1-O 2.87Å
400	S	98.3	Very high	98.3	Very high	2 Å²	2	13.3 Å²	13.3	1%	0.014	6%	0.062	C	C	.	.			trans	-104.2	135	-165.3	-72.5	0	0	0	0	113.7	K387	K387-S400 WeakPolarHBondContact CB-O 3.49Å; K387-S400 WeakPolarHBondContact CG-O 3.28Å
401	N	97.8	Very high	98.3	Very high	2 Å²	2	13.3 Å²	13.3	1%	0.011	6%	0.062	C	C	.	.			trans	-68.6	162.9	168.2	-71.7	-37.8	0	0	0	110.5	M293 N294 K387 S403 Y406	M293-N401 WeakPolarHBondContact CB-OD1 3.45Å; N294-N401 HydrophobicContact CB-CB 4.14Å; N294-N401 PolarHBondContact ND2-ND2 3.47Å; K387-N401 PolarHBondContact NZ-OD1 2.79Å; N401-S403 PolarHBondContact O-N 2.79Å; N401-Y406 HydrophobicContact CB-CD1 4.3Å; N401-Y406 HydrophobicContact CB-CD2 3.82Å; N401-Y406 HydrophobicContact CB-CE1 4.12Å; N401-Y406 HydrophobicContact CB-CE2 3.63Å; N401-Y406 HydrophobicContact CB-CG 4.14Å; N401-Y406 PolarHBondContact ND2-OH 3.04Å; N401-Y406 VanDerWaalsContact O-CB 3.27Å; N401-Y406 WeakPolarHBondContact O-CB 3.11Å
402	W	98.4	Very high	98.2	Very high	3 Å²	3	13.3 Å²	13.3	1%	0.011	6%	0.062	C	C	.	.	B	Isolated β-bridge	trans	-100.1	72.7	-170.8	-71.4	22.9	0	0	0	111.4	L277 I290 V292 N294 F295 V296 I314 M389	L277-W402 HydrophobicContact CD1-CD2 4.15Å; L277-W402 HydrophobicContact CD1-CH2 4.06Å; L277-W402 HydrophobicContact CD1-CZ2 3.64Å; L277-W402 HydrophobicContact CD1-CZ3 4.49Å; L277-W402 HydrophobicContact CD2-CH2 4.49Å; L277-W402 HydrophobicContact CG-CH2 4.33Å; L277-W402 HydrophobicContact CG-CZ2 4.28Å; I290-W402 HydrophobicContact CB-CH2 4.28Å; I290-W402 HydrophobicContact CB-CZ3 4.31Å; I290-W402 HydrophobicContact CD1-CE3 4.43Å; I290-W402 HydrophobicContact CD1-CH2 3.78Å; I290-W402 HydrophobicContact CD1-CZ3 3.4Å; I290-W402 VanDerWaalsContact CD1-CZ3 3.4Å; I290-W402 HydrophobicContact CG1-CH2 3.62Å; I290-W402 HydrophobicContact CG1-CZ3 3.74Å; I290-W402 HydrophobicContact CG2-CD2 4.34Å; I290-W402 HydrophobicContact CG2-CE3 3.91Å; I290-W402 HydrophobicContact CG2-CH2 3.65Å; I290-W402 HydrophobicContact CG2-CZ2 4.05Å; I290-W402 HydrophobicContact CG2-CZ3 3.58Å; V292-W402 HydrophobicContact CB-CG 4.38Å; V292-W402 HydrophobicContact CG1-CD2 3.73Å; V292-W402 HydrophobicContact CG1-CE3 4.49Å; V292-W402 HydrophobicContact CG1-CG 3.79Å; V292-W402 HydrophobicContact CG1-CZ2 4.2Å; V292-W402 HydrophobicContact CG2-CB 4.48Å; V292-W402 HydrophobicContact CG2-CG 4.38Å; N294-W402 WeakPolarHBondContact O-CB 3.22Å; N294-W402 PolarHBondContact O-N 2.92Å; F295-W402 WeakPolarHBondContact CA-O 3.41Å; F295-W402 HydrophobicContact CD2-CB 3.84Å; F295-W402 AromaticContact CD2-CE3 3.91Å; F295-W402 HydrophobicContact CD2-CE3 3.91Å; F295-W402 HydrophobicContact CE2-CE3 4.14Å; V296-W402 PolarHBondContact N-O 3.08Å; I314-W402 HydrophobicContact CD1-CB 4.29Å; I314-W402 HydrophobicContact CD1-CD2 4.41Å; I314-W402 HydrophobicContact CD1-CE3 4.35Å; I314-W402 HydrophobicContact CD1-CG 4.41Å; I314-W402 HydrophobicContact CG2-CE3 3.79Å; I314-W402 HydrophobicContact CG2-CZ3 3.87Å; M389-W402 HydrophobicContact CB-CH2 3.85Å; M389-W402 HydrophobicContact CB-CZ2 3.98Å; M389-W402 HydrophobicContact CE-CH2 4.12Å; M389-W402 HydrophobicContact CG-CH2 4.35Å; M389-W402 HydrophobicContact SD-CH2 3.89Å
403	S	98	Very high	98.3	Very high	2 Å²	2	12 Å²	12	1%	0.014	5%	0.054	C	C	.	.	S	Bend	trans	-142.4	158.1	169.2	58.9	0	0	0	0	109.4	V296 Q298 N401 D405 Y406 F407	V296-S403 WeakPolarHBondContact O-CA 3.35Å; Q298-S403 WeakPolarHBondContact O-CB 3.44Å; N401-S403 PolarHBondContact O-N 2.79Å; S403-D405 VanDerWaalsContact C-N 3.27Å; S403-D405 WeakPolarHBondContact CB-OD1 3.4Å; S403-D405 PolarHBondContact O-N 3.43Å; S403-D405 PolarHBondContact OG-OD1 2.79Å; S403-Y406 PolarHBondContact O-N 3.06Å; S403-Y406 VanDerWaalsContact O-N 3.11Å; S403-Y406 WeakPolarHBondContact OG-CD2 3.42Å; S403-F407 VanDerWaalsContact O-CD2 3.28Å; S403-F407 WeakPolarHBondContact O-CD2 3.36Å
404	G	98.3	Very high	98.3	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-63.2	-30.1	-169.9	0	0	0	0	0	114.3	Q298 W311 Y406 F407 L408	Q298-G404 PolarHBondContact O-N 2.8Å; W311-G404 VanDerWaalsContact CZ3-CA 3.5Å; G404-Y406 PolarHBondContact O-N 2.98Å; G404-F407 PolarHBondContact O-N 3.27Å; G404-L408 WeakPolarHBondContact O-CB 3.42Å; G404-L408 VanDerWaalsContact O-CG 3.24Å; G404-L408 WeakPolarHBondContact O-CG 3.48Å; G404-L408 PolarHBondContact O-N 2.86Å
405	D	97.7	Very high	98.4	Very high	5 Å²	5	8.6 Å²	8.6	3%	0.027	4%	0.039	C	C	.	.	H	α-helix	trans	-61.8	-30.4	176.3	54.9	-62.9	0	0	0	113.1	V299 I300 Y302 S403 Y409 T410	V299-D405 HydrophobicContact CG1-CB 4.18Å; I300-D405 WeakPolarHBondContact CB-OD1 3.49Å; I300-D405 PolarHBondContact N-OD1 3Å; Y302-D405 WeakPolarHBondContact CE2-OD2 3.41Å; Y302-D405 PolarHBondContact OH-OD2 2.95Å; S403-D405 VanDerWaalsContact C-N 3.27Å; S403-D405 WeakPolarHBondContact CB-OD1 3.4Å; S403-D405 PolarHBondContact O-N 3.43Å; S403-D405 PolarHBondContact OG-OD1 2.79Å; D405-Y409 PolarHBondContact O-N 2.93Å; D405-T410 PolarHBondContact O-N 2.81Å; D405-T410 PolarHBondContact O-OG1 3.21Å
406	Y	98.3	Very high	98.4	Very high	21 Å²	21	8.5 Å²	8.5	8%	0.082	4%	0.039	C	C	.	.	H	α-helix	trans	-72.9	-30.9	178.1	-85.9	-93	0	0	0	113.4	H167 S261 N401 S403 G404 T410	H167-Y406 HydrophobicContact CB-CE1 4.22Å; H167-Y406 AromaticContact CE1-CE1 3.83Å; H167-Y406 AromaticContact CG-CE1 3.71Å; H167-Y406 AromaticContact ND1-CE1 3.56Å; S261-Y406 PolarHBondContact OG-O 2.83Å; N401-Y406 HydrophobicContact CB-CD1 4.3Å; N401-Y406 HydrophobicContact CB-CD2 3.82Å; N401-Y406 HydrophobicContact CB-CE1 4.12Å; N401-Y406 HydrophobicContact CB-CE2 3.63Å; N401-Y406 HydrophobicContact CB-CG 4.14Å; N401-Y406 PolarHBondContact ND2-OH 3.04Å; N401-Y406 VanDerWaalsContact O-CB 3.27Å; N401-Y406 WeakPolarHBondContact O-CB 3.11Å; S403-Y406 PolarHBondContact O-N 3.06Å; S403-Y406 VanDerWaalsContact O-N 3.11Å; S403-Y406 WeakPolarHBondContact OG-CD2 3.42Å; G404-Y406 PolarHBondContact O-N 2.98Å; Y406-T410 HydrophobicContact CD1-CG2 3.82Å; Y406-T410 HydrophobicContact CE1-CG2 4.17Å; Y406-T410 WeakPolarHBondContact O-CB 3.31Å
407	F	98.5	Very high	98.3	Very high	2 Å²	2	8.5 Å²	8.5	1%	0.009	4%	0.039	C	C	.	.	H	α-helix	trans	-92.6	-31.9	-179.1	-61.8	-80.3	0	0	0	112.6	S261 D273 I274 L277 W311 I314 S403 G404	S261-F407 WeakPolarHBondContact CB-O 3.07Å; D273-F407 HydrophobicContact CB-CD1 4.14Å; I274-F407 HydrophobicContact CB-CB 3.96Å; I274-F407 HydrophobicContact CB-CD1 3.93Å; I274-F407 HydrophobicContact CB-CG 4.03Å; I274-F407 HydrophobicContact CD1-CD1 4.39Å; I274-F407 HydrophobicContact CD1-CD2 4.44Å; I274-F407 HydrophobicContact CD1-CG 4.3Å; L277-F407 HydrophobicContact CD1-CE1 3.84Å; L277-F407 HydrophobicContact CD1-CZ 3.58Å; W311-F407 HydrophobicContact CH2-CB 4.42Å; W311-F407 HydrophobicContact CH2-CD2 4.01Å; W311-F407 HydrophobicContact CH2-CG 4.45Å; W311-F407 HydrophobicContact CZ3-CD2 4.24Å; I314-F407 HydrophobicContact CD1-CD2 4.27Å; I314-F407 HydrophobicContact CD1-CE2 3.51Å; I314-F407 HydrophobicContact CD1-CZ 3.9Å; S403-F407 VanDerWaalsContact O-CD2 3.28Å; S403-F407 WeakPolarHBondContact O-CD2 3.36Å; G404-F407 PolarHBondContact O-N 3.27Å
408	L	97.8	Very high	98.3	Very high	60 Å²	60	10.7 Å²	10.7	31%	0.314	5%	0.049	S	C	.	.	H	α-helix	trans	-87.1	-34.6	-174.6	-64.5	174.9	0	0	0	113.3	P262 V299 G404	P262-L408 VanDerWaalsContact CB-O 3.3Å; P262-L408 WeakPolarHBondContact CB-O 3.44Å; V299-L408 HydrophobicContact CG2-CD1 3.74Å; G404-L408 WeakPolarHBondContact O-CB 3.42Å; G404-L408 VanDerWaalsContact O-CG 3.24Å; G404-L408 WeakPolarHBondContact O-CG 3.48Å; G404-L408 PolarHBondContact O-N 2.86Å
409	Y	97.1	Very high	97.9	Very high	73 Å²	73	14.4 Å²	14.4	29%	0.286	7%	0.066	S	C	.	.	T	Hydrogen-bonded Turn	trans	-134.4	-6.3	-167.3	-49	-62.6	0	0	0	114.7	F157 V161 Q163 G164 V299 D405	F157-Y409 VanDerWaalsContact CD1-O 3.28Å; F157-Y409 WeakPolarHBondContact CD1-O 3.42Å; V161-Y409 HydrophobicContact CG1-CD1 4.16Å; Q163-Y409 HydrophobicContact CG-CD1 3.92Å; Q163-Y409 HydrophobicContact CG-CD2 4.05Å; Q163-Y409 HydrophobicContact CG-CG 3.61Å; Q163-Y409 VanDerWaalsContact NE2-CE1 3.28Å; Q163-Y409 VanDerWaalsContact NE2-CG 3.32Å; G164-Y409 WeakPolarHBondContact CA-O 3.46Å; V299-Y409 HydrophobicContact CG1-CD2 4.46Å; V299-Y409 HydrophobicContact CG1-CE2 3.95Å; D405-Y409 PolarHBondContact O-N 2.93Å
410	T	98.3	Very high	96.9	Very high	4 Å²	4	14.9 Å²	14.9	3%	0.025	7%	0.071	C	C	.	.	S	Bend	trans	-108.3	141.2	-174.6	-60.9	0	0	0	0	110.3	I165 H167 S261 P262 D405 Y406 G412	I165-T410 HydrophobicContact CG1-CG2 4.03Å; I165-T410 CarbonylContact O-C 3.59Å; I165-T410 WeakPolarHBondContact O-CA 3.5Å; I165-T410 VanDerWaalsContact O-CG2 3.32Å; I165-T410 WeakPolarHBondContact O-CG2 3.36Å; H167-T410 HydrophobicContact CB-CG2 3.4Å; S261-T410 CarbonylContact C-O 3.49Å; S261-T410 VanDerWaalsContact C-O 3.27Å; S261-T410 WeakPolarHBondContact CB-O 3.11Å; S261-T410 PolarHBondContact OG-O 3.15Å; P262-T410 WeakPolarHBondContact CD-O 3.49Å; D405-T410 PolarHBondContact O-N 2.81Å; D405-T410 PolarHBondContact O-OG1 3.21Å; Y406-T410 HydrophobicContact CD1-CG2 3.82Å; Y406-T410 HydrophobicContact CE1-CG2 4.17Å; Y406-T410 WeakPolarHBondContact O-CB 3.31Å; T410-G412 PolarHBondContact O-N 3.07Å
411	G	98.5	Very high	95.3	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.103	C	C	.	.	B	Isolated β-bridge	trans	-70.8	104.5	172.5	0	0	0	0	0	110.5	I165 H167 T168 S261	I165-G411 PolarHBondContact O-N 3.26Å; H167-G411 CarbonylContact C-O 3.27Å; H167-G411 VanDerWaalsContact C-O 3.24Å; H167-G411 VanDerWaalsContact CA-O 3.27Å; H167-G411 WeakPolarHBondContact CA-O 3.14Å; H167-G411 PolarHBondContact N-O 2.78Å; T168-G411 PolarHBondContact N-O 3.36Å; T168-G411 PolarHBondContact OG1-O 2.97Å; S261-G411 VanDerWaalsContact O-CA 3.31Å; S261-G411 WeakPolarHBondContact O-CA 3.37Å
412	G	98.4	Very high	92.8	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	158.4	177.4	0	0	0	0	0	112	S260 S261 T399 T410	S260-G412 CarbonylContact C-O 3.56Å; S260-G412 VanDerWaalsContact CA-O 3.29Å; S260-G412 WeakPolarHBondContact CA-O 3.49Å; S261-G412 PolarHBondContact N-O 2.78Å; S261-G412 PolarHBondContact O-N 3.17Å; S261-G412 WeakPolarHBondContact OG-CA 3.49Å; S261-G412 PolarHBondContact OG-N 2.99Å; S261-G412 PolarHBondContact OG-O 2.85Å; T399-G412 WeakPolarHBondContact OG1-CA 3.43Å; T410-G412 PolarHBondContact O-N 3.07Å
413	V	98.8	Very high	89.8	Confident	0 Å²	0	32 Å²	32	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	145.1	179.2	-176.4	0	0	0	0	109.2	T168 L180 L210 I213 Y217 F258 S259 G398 T399	T168-V413 HydrophobicContact CG2-CB 4.37Å; T168-V413 HydrophobicContact CG2-CG2 3.75Å; L180-V413 HydrophobicContact CD1-CB 3.94Å; L180-V413 HydrophobicContact CD1-CG1 4Å; L180-V413 HydrophobicContact CD2-CB 4.5Å; L180-V413 HydrophobicContact CD2-CG1 3.86Å; L210-V413 HydrophobicContact CD1-CG1 4.14Å; I213-V413 HydrophobicContact CD1-CG1 3.83Å; I213-V413 HydrophobicContact CD1-CG2 4.44Å; I213-V413 HydrophobicContact CG2-CG2 3.69Å; Y217-V413 HydrophobicContact CE2-CG2 4.49Å; Y217-V413 WeakPolarHBondContact OH-CG2 3.32Å; F258-V413 HydrophobicContact CD1-CG1 4.44Å; S259-V413 WeakPolarHBondContact O-CA 3.41Å; S259-V413 WeakPolarHBondContact O-CG1 3.32Å; G398-V413 CarbonylContact C-O 3.59Å; G398-V413 VanDerWaalsContact CA-O 3.31Å; G398-V413 WeakPolarHBondContact CA-O 3.34Å; T399-V413 PolarHBondContact N-O 3.29Å; T399-V413 PolarHBondContact OG1-N 3.01Å; T399-V413 PolarHBondContact OG1-O 2.87Å
414	A	98.9	Very high	86.7	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	146.8	168.8	0	0	0	0	0	113.1	F258 S259 D273 Y396 I397	F258-A414 VanDerWaalsContact CA-O 3.22Å; F258-A414 WeakPolarHBondContact CA-O 3.14Å; S259-A414 PolarHBondContact N-O 2.85Å; S259-A414 PolarHBondContact O-N 2.77Å; D273-A414 WeakPolarHBondContact OD1-CB 3.45Å; Y396-A414 HydrophobicContact CD1-CB 4.42Å; Y396-A414 HydrophobicContact CD2-CB 4.12Å; Y396-A414 HydrophobicContact CE1-CB 3.77Å; Y396-A414 HydrophobicContact CE2-CB 3.39Å; Y396-A414 VanDerWaalsContact OH-CB 3.25Å; Y396-A414 WeakPolarHBondContact OH-CB 3.43Å; I397-A414 CarbonylContact O-C 3.52Å; I397-A414 VanDerWaalsContact O-CA 3.3Å; I397-A414 WeakPolarHBondContact O-CA 3.44Å
415	F	98.9	Very high	83.4	Confident	1 Å²	1	41.5 Å²	41.5	0%	0.004	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	122.9	170.1	175.5	-114.5	0	0	0	109.1	V52 L180 V198 V256 F258 Y396 I397 Y417 L445	V52-F415 HydrophobicContact CG1-CE1 4.05Å; V52-F415 HydrophobicContact CG1-CZ 4.14Å; L180-F415 HydrophobicContact CD2-CB 3.86Å; V198-F415 HydrophobicContact CG1-CD1 4.15Å; V198-F415 HydrophobicContact CG1-CE1 4.38Å; V198-F415 HydrophobicContact CG2-CD1 4.24Å; V198-F415 HydrophobicContact CG2-CG 4.45Å; V256-F415 HydrophobicContact CB-CE2 3.83Å; V256-F415 HydrophobicContact CB-CZ 4.27Å; V256-F415 HydrophobicContact CG1-CE2 3.8Å; V256-F415 HydrophobicContact CG1-CZ 3.71Å; F258-F415 HydrophobicContact CD1-CB 4.04Å; F258-F415 HydrophobicContact CD1-CD2 4.01Å; F258-F415 HydrophobicContact CE1-CB 3.82Å; F258-F415 AromaticContact CE1-CD2 3.4Å; F258-F415 HydrophobicContact CE1-CD2 3.4Å; F258-F415 HydrophobicContact CE1-CE2 4.33Å; F258-F415 HydrophobicContact CE1-CG 4.03Å; F258-F415 AromaticContact CZ-CD2 3.7Å; F258-F415 HydrophobicContact CZ-CD2 3.7Å; F258-F415 HydrophobicContact CZ-CE2 4.21Å; Y396-F415 WeakPolarHBondContact CA-O 3.34Å; I397-F415 PolarHBondContact N-O 3.07Å; I397-F415 PolarHBondContact O-N 2.93Å; F415-Y417 HydrophobicContact CE1-CD2 4.34Å; F415-Y417 HydrophobicContact CE1-CG 4.35Å; F415-Y417 HydrophobicContact CZ-CD2 4.16Å; F415-L445 HydrophobicContact CD1-CD2 4.47Å; F415-L445 HydrophobicContact CE1-CD2 3.61Å; F415-L445 HydrophobicContact CZ-CD2 4.46Å
416	V	98.8	Very high	80.3	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	125.2	176.4	-170.1	0	0	0	0	108.9	V256 Y257 V280 T394 A395 Y396	V256-V416 VanDerWaalsContact CA-O 3.29Å; V256-V416 WeakPolarHBondContact CA-O 3.39Å; Y257-V416 HydrophobicContact CD1-CB 3.94Å; Y257-V416 HydrophobicContact CD1-CG1 4.3Å; Y257-V416 HydrophobicContact CD2-CB 4.38Å; Y257-V416 HydrophobicContact CD2-CG2 4.35Å; Y257-V416 HydrophobicContact CE1-CB 3.51Å; Y257-V416 HydrophobicContact CE1-CG1 3.49Å; Y257-V416 VanDerWaalsContact CE1-CG1 3.49Å; Y257-V416 HydrophobicContact CE1-CG2 4.15Å; Y257-V416 HydrophobicContact CE2-CB 4Å; Y257-V416 HydrophobicContact CE2-CG2 3.74Å; Y257-V416 HydrophobicContact CG-CB 4.36Å; Y257-V416 PolarHBondContact N-O 3.27Å; Y257-V416 VanDerWaalsContact N-O 3.16Å; Y257-V416 PolarHBondContact O-N 3.14Å; V280-V416 HydrophobicContact CG2-CG1 4.05Å; T394-V416 HydrophobicContact CG2-CG1 3.44Å; T394-V416 VanDerWaalsContact CG2-CG1 3.44Å; A395-V416 WeakPolarHBondContact O-CA 3.34Å; Y396-V416 HydrophobicContact CD2-CG2 3.77Å; Y396-V416 HydrophobicContact CE2-CG2 4.27Å
417	Y	98.6	Very high	77	Confident	1 Å²	1	52.4 Å²	52.4	0%	0.004	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	130.7	-175.8	171	-83.3	0	0	0	111	I249 S254 V256 T394 A395 F415 L445 R446	I249-Y417 HydrophobicContact CB-CE2 4.37Å; I249-Y417 HydrophobicContact CD1-CD2 4.08Å; I249-Y417 HydrophobicContact CD1-CE2 3.99Å; I249-Y417 HydrophobicContact CG2-CE2 4.33Å; S254-Y417 VanDerWaalsContact CB-CE2 3.43Å; S254-Y417 WeakPolarHBondContact OG-CE2 3.37Å; S254-Y417 PolarHBondContact OG-OH 3.3Å; V256-Y417 HydrophobicContact CG1-CD2 3.67Å; V256-Y417 HydrophobicContact CG1-CE2 4.49Å; V256-Y417 HydrophobicContact CG1-CG 4.43Å; T394-Y417 WeakPolarHBondContact CA-O 3.42Å; T394-Y417 WeakPolarHBondContact CG2-O 3.38Å; A395-Y417 HydrophobicContact CB-CD1 4.43Å; A395-Y417 PolarHBondContact N-O 2.88Å; A395-Y417 PolarHBondContact O-N 3.17Å; F415-Y417 HydrophobicContact CE1-CD2 4.34Å; F415-Y417 HydrophobicContact CE1-CG 4.35Å; F415-Y417 HydrophobicContact CZ-CD2 4.16Å; Y417-L445 HydrophobicContact CD1-CB 3.96Å; Y417-L445 HydrophobicContact CD1-CD2 4.39Å; Y417-L445 HydrophobicContact CD2-CB 4.39Å; Y417-L445 HydrophobicContact CD2-CD2 4.09Å; Y417-L445 HydrophobicContact CE1-CB 3.75Å; Y417-L445 HydrophobicContact CE2-CB 4.18Å; Y417-L445 HydrophobicContact CG-CB 4.3Å; Y417-L445 HydrophobicContact CG-CD2 4Å; Y417-R446 HydrophobicContact CD1-CB 4.13Å; Y417-R446 HydrophobicContact CE1-CB 4.09Å
418	E	97.3	Very high	73.7	Confident	48 Å²	48	60 Å²	60	22%	0.224	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	137.7	169.4	-58.6	176.4	167.6	0	0	109	S254 R255 T394 G420	S254-E418 WeakPolarHBondContact CA-O 3.4Å; R255-E418 HydrophobicContact CB-CB 4.25Å; R255-E418 PolarHBondContact N-O 2.84Å; R255-E418 IonicContact NE-OE2 2.84Å; R255-E418 PolarHBondContact O-N 3.33Å; T394-E418 HydrophobicContact CG2-CG 3.69Å; T394-E418 PolarHBondContact OG1-OE1 2.55Å; E418-G420 PolarHBondContact O-N 3.2Å
419	E	90.7	Very high	70.3	Confident	79 Å²	79	63.9 Å²	63.9	37%	0.369	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	127.7	166	-177.2	169.2	-175.6	0	0	107.8	I252 N421 S444	I252-E419 HydrophobicContact CG2-CG 3.89Å; E419-N421 PolarHBondContact O-N 3.25Å; E419-S444 WeakPolarHBondContact OE2-CB 3.43Å; E419-S444 PolarHBondContact OE2-OG 3.14Å
420	G	78	Confident	67.1	Low	9 Å²	9	68.2 Å²	68.2	9%	0.093	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-64.3	133.7	176.2	0	0	0	0	0	109.7	Q253 E418 H422	Q253-G420 WeakPolarHBondContact O-CA 3.42Å; Q253-G420 PolarHBondContact O-N 3.28Å; E418-G420 PolarHBondContact O-N 3.2Å; G420-H422 PolarHBondContact O-N 2.89Å
421	N	63.7	Low	63.9	Low	128 Å²	128	74.2 Å²	74.2	68%	0.684	39%	0.389	S	S	*	.	P	Polyproline II helix	trans	-59.7	131.3	162.2	-72.6	-16.6	0	0	0	106.9	E419 T423	E419-N421 PolarHBondContact O-N 3.25Å; N421-T423 HydrophobicContact CB-CG2 4.03Å; N421-T423 PolarHBondContact O-N 3.06Å
422	H	46.6	Very low	60.6	Low	126 Å²	126	79.4 Å²	79.4	58%	0.583	42%	0.42	S	S	*	.			trans	-64.5	71.8	163.2	-72.7	-73.3	0	0	0	108.8	G420 S424	G420-H422 PolarHBondContact O-N 2.89Å; H422-S424 VanDerWaalsContact C-N 3.29Å
423	T	34	Very low	57.3	Low	113 Å²	113	85.2 Å²	85.2	69%	0.693	45%	0.451	S	S	*	.			trans	-98.2	24	165.7	49.6	0	0	0	0	110.5	N421 N425	N421-T423 HydrophobicContact CB-CG2 4.03Å; N421-T423 PolarHBondContact O-N 3.06Å; T423-N425 PolarHBondContact O-N 3.09Å
424	S	33.7	Very low	54.1	Low	53 Å²	53	94 Å²	94	37%	0.371	49%	0.492	S	S	.	.			trans	-73.9	99.3	149.6	56	0	0	0	0	106.8	H422 D426	H422-S424 VanDerWaalsContact C-N 3.29Å; S424-D426 PolarHBondContact O-N 2.81Å
425	N	29	Very low	51.1	Low	148 Å²	148	97.4 Å²	97.4	79%	0.791	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	22.1	165	-83.5	-17.8	0	0	0	113.5	T423	T423-N425 PolarHBondContact O-N 3.09Å
426	D	32.4	Very low	48.3	Very low	140 Å²	140	106.4 Å²	106.4	75%	0.749	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102	15	179.7	-83.6	-21	0	0	0	113.9	S424	S424-D426 PolarHBondContact O-N 2.81Å
427	L	29.2	Very low	45.3	Very low	116 Å²	116	115 Å²	115	61%	0.607	60%	0.595	S	S	*	*			trans	-119.7	34.1	170	-68.2	174.8	0	0	0	113.4	Q429	L427-Q429 PolarHBondContact O-N 3.3Å
428	N	28.5	Very low	42.5	Very low	161 Å²	161	120.6 Å²	120.6	86%	0.861	63%	0.634	S	S	*	*			trans	-74.5	12.8	146.3	-80.9	-10.8	0	0	0	112	E430	N428-E430 PolarHBondContact O-N 3.18Å; N428-E430 VanDerWaalsContact O-N 3.13Å
429	Q	27.2	Very low	39.5	Very low	141 Å²	141	125.2 Å²	125.2	66%	0.659	66%	0.659	S	S	*	*	S	Bend	trans	-71.7	94.8	145.3	-90.7	-178.3	-16.3	0	0	107.1	L427 N431	L427-Q429 PolarHBondContact O-N 3.3Å; Q429-N431 PolarHBondContact O-N 3.42Å
430	E	29.9	Very low	37.5	Very low	164 Å²	164	127 Å²	127	77%	0.766	68%	0.678	S	S	*	*			trans	-47.3	91.5	149.9	-72.3	-178.2	159.1	0	0	107.5	N428 T432	N428-E430 PolarHBondContact O-N 3.18Å; N428-E430 VanDerWaalsContact O-N 3.13Å; E430-T432 HydrophobicContact CB-CG2 4.36Å; E430-T432 PolarHBondContact O-N 3.33Å; E430-T432 PolarHBondContact O-OG1 2.67Å
431	N	30.7	Very low	36.5	Very low	131 Å²	131	134.7 Å²	134.7	70%	0.701	71%	0.709	S	S	*	*			trans	-66.8	78.7	157.3	-95.1	-12.8	0	0	0	105.9	Q429 D433	Q429-N431 PolarHBondContact O-N 3.42Å; N431-D433 PolarHBondContact O-N 2.9Å
432	T	28.4	Very low	37	Very low	108 Å²	108	132.3 Å²	132.3	66%	0.663	70%	0.7	S	S	*	*			trans	-68.5	56.5	153.2	41.5	0	0	0	0	107.9	E430	E430-T432 HydrophobicContact CB-CG2 4.36Å; E430-T432 PolarHBondContact O-N 3.33Å; E430-T432 PolarHBondContact O-OG1 2.67Å
433	D	30.6	Very low	38.8	Very low	123 Å²	123	130.9 Å²	130.9	66%	0.658	70%	0.696	S	S	*	*			trans	-106.7	95.4	165.7	-139.9	-5	0	0	0	106.1	N431 S435	N431-D433 PolarHBondContact O-N 2.9Å; D433-S435 PolarHBondContact O-N 2.84Å
434	H	31.9	Very low	41.6	Very low	184 Å²	184	125.7 Å²	125.7	85%	0.852	66%	0.664	S	S	*	*			trans	-65.7	42.7	174.1	-78	-73.6	0	0	0	111.9	E436	H434-E436 PolarHBondContact O-N 2.79Å; H434-E436 VanDerWaalsContact O-N 3.16Å
435	S	34.9	Very low	44.5	Very low	71 Å²	71	123.2 Å²	123.2	50%	0.497	65%	0.647	S	S	.	*			trans	-73.1	108.2	167.1	67.5	0	0	0	0	107.8	D433 F437	D433-S435 PolarHBondContact O-N 2.84Å; S435-F437 PolarHBondContact O-N 2.87Å
436	E	39.7	Very low	47.7	Very low	191 Å²	191	117.6 Å²	117.6	89%	0.893	62%	0.615	S	S	*	*	S	Bend	trans	-65.6	20.4	-178.8	-152.9	173.7	-174.7	0	0	113.5	H434	H434-E436 PolarHBondContact O-N 2.79Å; H434-E436 VanDerWaalsContact O-N 3.16Å
437	F	35.9	Very low	50.8	Low	179 Å²	179	114.3 Å²	114.3	79%	0.785	59%	0.593	S	S	*	*			trans	-133.6	59.4	178.7	-93	-90.4	0	0	0	110.1	S435 L439	S435-F437 PolarHBondContact O-N 2.87Å; F437-L439 PolarHBondContact O-N 2.87Å
438	C	40.9	Very low	54	Low	120 Å²	120	110.7 Å²	110.7	81%	0.811	57%	0.574	S	S	*	*			trans	-64.1	91.4	160.3	-78.8	0	0	0	0	108.3
439	L	33.7	Very low	57.3	Low	145 Å²	145	103 Å²	103	76%	0.759	53%	0.533	S	S	*	.	P	Polyproline II helix	trans	-50.9	132.5	166.9	-71.8	169.8	0	0	0	107.9	F437 K441	F437-L439 PolarHBondContact O-N 2.87Å; L439-K441 PolarHBondContact O-N 2.82Å
440	P	49.3	Very low	60.7	Low	117 Å²	117	96.8 Å²	96.8	76%	0.76	50%	0.503	S	S	*	.	P	Polyproline II helix	trans	-55.6	134.1	179.9	19.4	-29.1	0	0	0	109.6
441	K	57.2	Low	64	Low	170 Å²	170	91.1 Å²	91.1	74%	0.739	48%	0.478	S	S	*	.	P	Polyproline II helix	trans	-50.5	139.2	176.5	-74.1	-172.4	177.6	-172.7	0	109.8	L439 I443	L439-K441 PolarHBondContact O-N 2.82Å; K441-I443 PolarHBondContact O-N 3.1Å
442	P	73.2	Confident	67.2	Low	78 Å²	78	84.9 Å²	84.9	51%	0.506	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-58.2	139.2	176.5	23	-31.4	0	0	0	110.3	I252 S444	I252-P442 HydrophobicContact CD1-CB 4.25Å; I252-P442 HydrophobicContact CD1-CG 4.04Å; I252-P442 WeakPolarHBondContact CD1-O 3.41Å; I252-P442 HydrophobicContact CG1-CG 3.89Å; P442-S444 PolarHBondContact O-N 3.45Å
443	I	85.2	Confident	70.5	Confident	95 Å²	95	79.8 Å²	79.8	49%	0.487	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-74	122.3	178.8	-57.9	176.8	0	0	0	108.4	K441 K447 Q448	K441-I443 PolarHBondContact O-N 3.1Å; I443-K447 HydrophobicContact CG2-CB 3.68Å; I443-K447 HydrophobicContact CG2-CG 3.71Å; I443-Q448 HydrophobicContact CB-CG 4.25Å; I443-Q448 HydrophobicContact CG2-CG 3.73Å; I443-Q448 PolarHBondContact O-NE2 3.31Å
444	S	91.8	Very high	73.8	Confident	5 Å²	5	77.4 Å²	77.4	4%	0.035	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-62.8	152.8	178.4	67.9	0	0	0	0	112.7	E419 P442 R446 K447 Q448	E419-S444 WeakPolarHBondContact OE2-CB 3.43Å; E419-S444 PolarHBondContact OE2-OG 3.14Å; P442-S444 PolarHBondContact O-N 3.45Å; S444-R446 PolarHBondContact O-N 3.22Å; S444-K447 PolarHBondContact O-N 3.29Å; S444-Q448 WeakPolarHBondContact O-CG 3.47Å; S444-Q448 PolarHBondContact O-N 3.12Å
445	L	94.8	Very high	76.9	Confident	1 Å²	1	69.5 Å²	69.5	1%	0.005	36%	0.358	C	S	.	.	H	α-helix	trans	-56.5	-38.3	-179.2	-170.6	75.2	0	0	0	111.8	V52 L54 V198 F415 Y417 K447 Q448 L449	V52-L445 HydrophobicContact CG1-CD2 3.86Å; L54-L445 HydrophobicContact CD2-CD1 3.76Å; L54-L445 HydrophobicContact CD2-CG 4.25Å; L54-L445 HydrophobicContact CG-CD1 3.6Å; L54-L445 HydrophobicContact CG-CG 4.43Å; V198-L445 HydrophobicContact CG1-CD2 4.31Å; F415-L445 HydrophobicContact CD1-CD2 4.47Å; F415-L445 HydrophobicContact CE1-CD2 3.61Å; F415-L445 HydrophobicContact CZ-CD2 4.46Å; Y417-L445 HydrophobicContact CD1-CB 3.96Å; Y417-L445 HydrophobicContact CD1-CD2 4.39Å; Y417-L445 HydrophobicContact CD2-CB 4.39Å; Y417-L445 HydrophobicContact CD2-CD2 4.09Å; Y417-L445 HydrophobicContact CE1-CB 3.75Å; Y417-L445 HydrophobicContact CE2-CB 4.18Å; Y417-L445 HydrophobicContact CG-CB 4.3Å; Y417-L445 HydrophobicContact CG-CD2 4Å; L445-K447 PolarHBondContact O-N 3.42Å; L445-Q448 PolarHBondContact O-N 3.46Å; L445-L449 PolarHBondContact O-N 2.88Å
446	R	97.2	Very high	79.9	Confident	30 Å²	30	66.1 Å²	66.1	11%	0.113	33%	0.334	C	S	.	.	H	α-helix	trans	-58.3	-46.6	174.1	-173.3	-144.2	62.8	75.9	1.8	111.6	V390 T391 K393 A395 Y417 S444 L449 E450	V390-R446 HydrophobicContact CG2-CG 3.96Å; V390-R446 WeakPolarHBondContact CG2-O 3.37Å; T391-R446 PolarHBondContact O-NH1 3.07Å; K393-R446 VanDerWaalsContact C-CD 3.43Å; K393-R446 WeakPolarHBondContact O-CD 3.09Å; A395-R446 HydrophobicContact CB-CB 4.29Å; A395-R446 HydrophobicContact CB-CG 4.37Å; Y417-R446 HydrophobicContact CD1-CB 4.13Å; Y417-R446 HydrophobicContact CE1-CB 4.09Å; S444-R446 PolarHBondContact O-N 3.22Å; R446-L449 PolarHBondContact O-N 2.87Å; R446-E450 IonicContact CZ-OE2 2.79Å; R446-E450 IonicContact NH1-OE2 2.72Å; R446-E450 PolarHBondContact NH1-OE2 3.45Å; R446-E450 IonicContact NH2-OE2 3.18Å; R446-E450 PolarHBondContact O-N 3.07Å
447	K	96.3	Very high	82.7	Confident	70 Å²	70	57.1 Å²	57.1	30%	0.304	29%	0.292	S	S	.	.	H	α-helix	trans	-69.4	-35.9	178.9	-174.3	53	169.4	173.6	0	112.2	I443 S444 L445 L449 E450 N451	I443-K447 HydrophobicContact CG2-CB 3.68Å; I443-K447 HydrophobicContact CG2-CG 3.71Å; S444-K447 PolarHBondContact O-N 3.29Å; L445-K447 PolarHBondContact O-N 3.42Å; K447-L449 VanDerWaalsContact C-N 3.34Å; K447-L449 PolarHBondContact O-N 3.41Å; K447-E450 PolarHBondContact O-N 3.32Å; K447-E450 VanDerWaalsContact CD-OE2 3.32Å; K447-E450 PolarHBondContact NZ-OE2 3.22Å; K447-E450 IonicContact NZ-OE2 3.03Å; K447-E450 IonicContact NZ-OE1 3.85Å; K447-E450 WeakPolarHBondContact CD-OE2 3.22Å; K447-E450 HydrophobicContact CD-CB 4.38Å; K447-E450 PolarHBondContact NZ-OE1 3.34Å; K447-N451 PolarHBondContact O-N 2.86Å; K447-N451 PolarHBondContact O-ND2 2.94Å; K447-N451 PolarHBondContact O-OD1 2.98Å
448	Q	96.6	Very high	85.7	Confident	41 Å²	41	53.9 Å²	53.9	19%	0.192	28%	0.283	C	S	.	.	H	α-helix	trans	-60.3	-44.5	172.6	-63.9	177.7	41.8	0	0	111.1	L54 I443 S444 L445 E450 N451 V452	L54-Q448 HydrophobicContact CD1-CB 3.65Å; L54-Q448 HydrophobicContact CG-CB 4.49Å; I443-Q448 HydrophobicContact CB-CG 4.25Å; I443-Q448 HydrophobicContact CG2-CG 3.73Å; I443-Q448 PolarHBondContact O-NE2 3.31Å; S444-Q448 WeakPolarHBondContact O-CG 3.47Å; S444-Q448 PolarHBondContact O-N 3.12Å; L445-Q448 PolarHBondContact O-N 3.46Å; Q448-E450 VanDerWaalsContact C-N 3.35Å; Q448-E450 PolarHBondContact O-N 2.8Å; Q448-N451 PolarHBondContact O-N 2.8Å; Q448-N451 VanDerWaalsContact O-N 3.11Å; Q448-N451 WeakPolarHBondContact O-CB 3.42Å; Q448-V452 PolarHBondContact O-N 3.44Å
449	L	98.4	Very high	88.4	Confident	0 Å²	0	49 Å²	49	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-65.6	-37.5	178.8	-170.1	62.8	0	0	0	112.3	L54 L196 Y388 V390 A395 I397 L445 R446 K447 N451 V452 F453	L54-L449 HydrophobicContact CD1-CB 4.11Å; L54-L449 HydrophobicContact CD1-CD1 4.26Å; L54-L449 HydrophobicContact CD2-CD1 4.3Å; L196-L449 HydrophobicContact CD1-CD1 3.81Å; L196-L449 HydrophobicContact CD2-CD1 3.88Å; Y388-L449 HydrophobicContact CD1-CD1 4.19Å; Y388-L449 HydrophobicContact CD2-CD1 3.62Å; Y388-L449 HydrophobicContact CD2-CD2 3.8Å; Y388-L449 HydrophobicContact CD2-CG 3.72Å; Y388-L449 HydrophobicContact CE1-CD1 4.3Å; Y388-L449 HydrophobicContact CE2-CD1 3.79Å; Y388-L449 HydrophobicContact CE2-CD2 4.46Å; Y388-L449 HydrophobicContact CE2-CG 3.91Å; Y388-L449 HydrophobicContact CG-CD1 3.85Å; Y388-L449 HydrophobicContact CG-CD2 4.33Å; Y388-L449 HydrophobicContact CG-CG 4.38Å; V390-L449 HydrophobicContact CB-CB 4.46Å; V390-L449 HydrophobicContact CB-CD2 3.99Å; V390-L449 HydrophobicContact CB-CG 4.09Å; V390-L449 HydrophobicContact CG2-CB 4.38Å; A395-L449 HydrophobicContact CB-CD2 3.66Å; I397-L449 HydrophobicContact CD1-CD1 4.43Å; I397-L449 HydrophobicContact CD1-CD2 4.1Å; I397-L449 HydrophobicContact CG1-CD2 3.84Å; L445-L449 PolarHBondContact O-N 2.88Å; R446-L449 PolarHBondContact O-N 2.87Å; K447-L449 VanDerWaalsContact C-N 3.34Å; K447-L449 PolarHBondContact O-N 3.41Å; L449-N451 VanDerWaalsContact C-N 3.33Å; L449-V452 PolarHBondContact O-N 3.22Å; L449-F453 PolarHBondContact O-N 3.44Å
450	E	98.5	Very high	91.4	Very high	10 Å²	10	49.5 Å²	49.5	5%	0.047	25%	0.248	C	C	.	.	H	α-helix	trans	-60.5	-43.1	170.8	-168.2	-162.4	143.2	0	0	111.4	F287 Y289 V390 R446 K447 Q448 F453 R454	F287-E450 HydrophobicContact CE2-CG 4.2Å; F287-E450 HydrophobicContact CZ-CG 3.94Å; Y289-E450 HydrophobicContact CD2-CG 4.41Å; Y289-E450 HydrophobicContact CE2-CG 4.42Å; V390-E450 HydrophobicContact CG1-CB 4.41Å; V390-E450 HydrophobicContact CG2-CB 4.11Å; R446-E450 IonicContact CZ-OE2 2.79Å; R446-E450 IonicContact NH1-OE2 2.72Å; R446-E450 PolarHBondContact NH1-OE2 3.45Å; R446-E450 IonicContact NH2-OE2 3.18Å; R446-E450 PolarHBondContact O-N 3.07Å; K447-E450 PolarHBondContact O-N 3.32Å; K447-E450 VanDerWaalsContact CD-OE2 3.32Å; K447-E450 PolarHBondContact NZ-OE2 3.22Å; K447-E450 IonicContact NZ-OE2 3.03Å; K447-E450 IonicContact NZ-OE1 3.85Å; K447-E450 WeakPolarHBondContact CD-OE2 3.22Å; K447-E450 HydrophobicContact CD-CB 4.38Å; K447-E450 PolarHBondContact NZ-OE1 3.34Å; Q448-E450 VanDerWaalsContact C-N 3.35Å; Q448-E450 PolarHBondContact O-N 2.8Å; E450-F453 PolarHBondContact O-N 3.37Å; E450-R454 PolarHBondContact OE1-NH2 3.04Å; E450-R454 IonicContact OE1-NH2 3.06Å; E450-R454 PolarHBondContact OE1-NE 2.79Å; E450-R454 IonicContact OE1-NE 3.35Å; E450-R454 PolarHBondContact O-N 2.87Å; E450-R454 WeakPolarHBondContact O-CG 3.37Å; E450-R454 IonicContact OE1-CZ 2.81Å
451	N	98.1	Very high	93.7	Very high	45 Å²	45	44.6 Å²	44.6	24%	0.241	22%	0.215	C	C	.	.	H	α-helix	trans	-66.3	-37	178.3	-65.8	-15.8	0	0	0	111.8	P69 K447 Q448 L449 R454 R455	P69-N451 HydrophobicContact CG-CB 3.79Å; K447-N451 PolarHBondContact O-N 2.86Å; K447-N451 PolarHBondContact O-ND2 2.94Å; K447-N451 PolarHBondContact O-OD1 2.98Å; Q448-N451 PolarHBondContact O-N 2.8Å; Q448-N451 VanDerWaalsContact O-N 3.11Å; Q448-N451 WeakPolarHBondContact O-CB 3.42Å; L449-N451 VanDerWaalsContact C-N 3.33Å; N451-R454 PolarHBondContact O-N 3.19Å; N451-R455 WeakPolarHBondContact O-CB 3.5Å; N451-R455 PolarHBondContact O-N 3.18Å
452	V	98.4	Very high	95.7	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-59.8	-49.7	170.6	172	0	0	0	0	110.6	L54 H71 L196 Q448 L449 R454 R455 D456	L54-V452 HydrophobicContact CD1-CG2 4.21Å; H71-V452 WeakPolarHBondContact CE1-CG2 3.47Å; L196-V452 HydrophobicContact CD1-CG1 3.81Å; Q448-V452 PolarHBondContact O-N 3.44Å; L449-V452 PolarHBondContact O-N 3.22Å; V452-R454 VanDerWaalsContact C-N 3.33Å; V452-R454 PolarHBondContact O-N 3.49Å; V452-R455 PolarHBondContact O-N 2.82Å; V452-R455 WeakPolarHBondContact O-CB 3.04Å; V452-D456 PolarHBondContact O-N 3.21Å
453	F	98.8	Very high	96.8	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-57.6	-46.6	177.9	-177.2	-89.3	0	0	0	111.7	Y289 I290 A291 R330 L332 Y388 V390 L449 E450 D456 W457	Y289-F453 HydrophobicContact CD1-CD1 4.49Å; Y289-F453 AromaticContact CD1-CE1 3.98Å; Y289-F453 HydrophobicContact CD1-CE1 3.98Å; Y289-F453 HydrophobicContact CD1-CZ 4.44Å; Y289-F453 AromaticContact CD2-CD1 3.46Å; Y289-F453 HydrophobicContact CD2-CD1 3.46Å; Y289-F453 VanDerWaalsContact CD2-CD1 3.46Å; Y289-F453 AromaticContact CD2-CE1 3.78Å; Y289-F453 HydrophobicContact CD2-CE1 3.78Å; Y289-F453 HydrophobicContact CD2-CG 4.18Å; Y289-F453 HydrophobicContact CE2-CD1 4.29Å; Y289-F453 HydrophobicContact CE2-CE1 4.5Å; Y289-F453 AromaticContact CG-CD1 3.6Å; Y289-F453 HydrophobicContact CG-CD1 3.6Å; Y289-F453 AromaticContact CG-CE1 3.49Å; Y289-F453 HydrophobicContact CG-CE1 3.49Å; Y289-F453 VanDerWaalsContact CG-CE1 3.49Å; Y289-F453 HydrophobicContact CG-CG 4.23Å; Y289-F453 HydrophobicContact CG-CZ 4.05Å; I290-F453 WeakPolarHBondContact O-CE2 3.49Å; A291-F453 HydrophobicContact CB-CD2 4.2Å; A291-F453 HydrophobicContact CB-CE2 4.41Å; R330-F453 HydrophobicContact CB-CE1 3.96Å; R330-F453 HydrophobicContact CB-CZ 3.67Å; L332-F453 HydrophobicContact CB-CE2 3.82Å; L332-F453 HydrophobicContact CB-CZ 4.32Å; Y388-F453 HydrophobicContact CE2-CB 4.14Å; Y388-F453 HydrophobicContact CE2-CD2 4.16Å; Y388-F453 WeakPolarHBondContact OH-CA 3.32Å; Y388-F453 WeakPolarHBondContact OH-CB 3.36Å; Y388-F453 PolarHBondContact OH-N 3.38Å; V390-F453 HydrophobicContact CG1-CB 4.32Å; L449-F453 PolarHBondContact O-N 3.44Å; E450-F453 PolarHBondContact O-N 3.37Å; F453-D456 PolarHBondContact O-N 2.77Å; F453-W457 WeakPolarHBondContact O-CB 3.17Å; F453-W457 PolarHBondContact O-N 3.16Å; F453-W457 HydrophobicContact CZ-CZ3 4.08Å; F453-W457 VanDerWaalsContact CZ-CE3 3.47Å; F453-W457 HydrophobicContact CZ-CE3 3.47Å; F453-W457 AromaticContact CZ-CE3 3.47Å; F453-W457 HydrophobicContact CZ-CD2 4.19Å; F453-W457 HydrophobicContact CE1-CG 4.15Å; F453-W457 HydrophobicContact CE1-CE3 3.8Å; F453-W457 AromaticContact CE1-CE3 3.8Å; F453-W457 HydrophobicContact CE1-CD2 4.04Å; F453-W457 HydrophobicContact CE1-CB 4.03Å; F453-W457 HydrophobicContact CD1-CB 4.28Å; F453-W457 HydrophobicContact CE2-CE3 4.43Å
454	R	98.5	Very high	97.3	Very high	74 Å²	74	36.7 Å²	36.7	28%	0.279	18%	0.176	S	C	.	.	H	α-helix	trans	-66.6	-36.6	179.4	-69.8	-174.9	-173.2	-71.4	0.3	112.5	Y289 E450 N451 V452 N458	Y289-R454 PolarHBondContact OH-NH1 3.46Å; Y289-R454 PolarHBondContact OH-NH2 2.93Å; Y289-R454 VanDerWaalsContact OH-NH2 3.07Å; E450-R454 PolarHBondContact OE1-NH2 3.04Å; E450-R454 IonicContact OE1-NH2 3.06Å; E450-R454 PolarHBondContact OE1-NE 2.79Å; E450-R454 IonicContact OE1-NE 3.35Å; E450-R454 PolarHBondContact O-N 2.87Å; E450-R454 WeakPolarHBondContact O-CG 3.37Å; E450-R454 IonicContact OE1-CZ 2.81Å; N451-R454 PolarHBondContact O-N 3.19Å; V452-R454 VanDerWaalsContact C-N 3.33Å; V452-R454 PolarHBondContact O-N 3.49Å; R454-N458 WeakPolarHBondContact O-CB 3.39Å; R454-N458 PolarHBondContact O-N 3.01Å; R454-N458 VanDerWaalsContact O-N 3.09Å; R454-N458 PolarHBondContact O-ND2 2.98Å
455	R	98.1	Very high	97.4	Very high	17 Å²	17	38.3 Å²	38.3	6%	0.064	18%	0.184	C	C	.	.	H	α-helix	trans	-59	-51.1	172.8	179.9	-161.8	70.5	-156.9	-4.7	110.3	E56 F64 P69 N451 V452 S459	E56-R455 IonicContact OE1-CZ 3.96Å; E56-R455 IonicContact OE1-NH1 2.68Å; E56-R455 PolarHBondContact OE1-NH1 3.3Å; E56-R455 IonicContact OE1-NH2 3.64Å; E56-R455 PolarHBondContact OE1-NH2 2.89Å; E56-R455 IonicContact OE2-CZ 2.66Å; E56-R455 IonicContact OE2-NH1 3.97Å; E56-R455 PolarHBondContact OE2-NH1 2.87Å; E56-R455 IonicContact OE2-NH2 3.42Å; F64-R455 HydrophobicContact CB-CG 4.16Å; F64-R455 HydrophobicContact CD1-CG 3.73Å; F64-R455 HydrophobicContact CE1-CG 4.24Å; F64-R455 HydrophobicContact CG-CG 3.89Å; P69-R455 PolarHBondContact O-NH1 3.3Å; N451-R455 WeakPolarHBondContact O-CB 3.5Å; N451-R455 PolarHBondContact O-N 3.18Å; V452-R455 PolarHBondContact O-N 2.82Å; V452-R455 WeakPolarHBondContact O-CB 3.04Å; R455-S459 WeakPolarHBondContact O-CB 3.49Å; R455-S459 PolarHBondContact O-N 3.35Å
456	D	98.5	Very high	97.5	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-68	-46.2	-176.5	-65	-14.9	0	0	0	110.8	F64 K194 L332 F366 V452 F453 N458 S459 T462	F64-D456 WeakPolarHBondContact CE1-OD1 3.32Å; F64-D456 WeakPolarHBondContact CZ-OD1 3.27Å; K194-D456 VanDerWaalsContact CE-CG 3.43Å; K194-D456 WeakPolarHBondContact CE-OD2 3.46Å; K194-D456 IonicContact NZ-OD1 3.94Å; K194-D456 PolarHBondContact NZ-OD1 3.42Å; K194-D456 IonicContact NZ-OD2 2.79Å; K194-D456 PolarHBondContact NZ-OD2 3.27Å; L332-D456 HydrophobicContact CD2-CB 3.68Å; F366-D456 HydrophobicContact CD2-CB 4.26Å; F366-D456 HydrophobicContact CE2-CB 3.92Å; V452-D456 PolarHBondContact O-N 3.21Å; F453-D456 PolarHBondContact O-N 2.77Å; D456-N458 PolarHBondContact O-N 3.46Å; D456-N458 VanDerWaalsContact C-N 3.29Å; D456-S459 WeakPolarHBondContact O-CB 3.43Å; D456-S459 PolarHBondContact O-N 3.02Å; D456-S459 VanDerWaalsContact O-N 3.12Å; D456-S459 PolarHBondContact O-OG 3.12Å; D456-T462 WeakPolarHBondContact O-CG2 3.47Å
457	W	98.5	Very high	97.5	Very high	3 Å²	3	40.7 Å²	40.7	1%	0.011	20%	0.197	C	C	.	.	H	α-helix	trans	-57	-37.8	177.9	-179.2	-85.3	0	0	0	113.6	R330 L332 R362 R364 F453 T462	R330-W457 HydrophobicContact CB-CE3 4.15Å; R330-W457 HydrophobicContact CB-CH2 3.83Å; R330-W457 HydrophobicContact CB-CZ2 4.42Å; R330-W457 HydrophobicContact CB-CZ3 3.69Å; R330-W457 HydrophobicContact CG-CH2 4.01Å; R330-W457 HydrophobicContact CG-CZ2 4.16Å; R330-W457 HydrophobicContact CG-CZ3 4.32Å; L332-W457 HydrophobicContact CB-CE3 4.33Å; L332-W457 HydrophobicContact CD1-CE3 4.41Å; R362-W457 HydrophobicContact CB-CH2 3.79Å; R362-W457 HydrophobicContact CB-CZ2 4.03Å; R364-W457 HydrophobicContact CB-CE3 4.24Å; R364-W457 HydrophobicContact CB-CH2 4.11Å; R364-W457 HydrophobicContact CB-CZ3 3.82Å; R364-W457 HydrophobicContact CG-CD2 4.48Å; R364-W457 HydrophobicContact CG-CE3 4.24Å; R364-W457 HydrophobicContact CG-CH2 3.61Å; R364-W457 HydrophobicContact CG-CZ2 3.86Å; R364-W457 HydrophobicContact CG-CZ3 3.81Å; R364-W457 PolarHBondContact NH1-O 2.96Å; F453-W457 WeakPolarHBondContact O-CB 3.17Å; F453-W457 PolarHBondContact O-N 3.16Å; F453-W457 HydrophobicContact CZ-CZ3 4.08Å; F453-W457 VanDerWaalsContact CZ-CE3 3.47Å; F453-W457 HydrophobicContact CZ-CE3 3.47Å; F453-W457 AromaticContact CZ-CE3 3.47Å; F453-W457 HydrophobicContact CZ-CD2 4.19Å; F453-W457 HydrophobicContact CE1-CG 4.15Å; F453-W457 HydrophobicContact CE1-CE3 3.8Å; F453-W457 AromaticContact CE1-CE3 3.8Å; F453-W457 HydrophobicContact CE1-CD2 4.04Å; F453-W457 HydrophobicContact CE1-CB 4.03Å; F453-W457 HydrophobicContact CD1-CB 4.28Å; F453-W457 HydrophobicContact CE2-CE3 4.43Å; W457-T462 PolarHBondContact O-OG1 2.79Å
458	N	97.8	Very high	97.6	Very high	111 Å²	111	39.1 Å²	39.1	59%	0.594	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.3	6.4	-178.6	-63.1	-56.3	0	0	0	113.1	R454 D456	R454-N458 WeakPolarHBondContact O-CB 3.39Å; R454-N458 PolarHBondContact O-N 3.01Å; R454-N458 VanDerWaalsContact O-N 3.09Å; R454-N458 PolarHBondContact O-ND2 2.98Å; D456-N458 PolarHBondContact O-N 3.46Å; D456-N458 VanDerWaalsContact C-N 3.29Å
459	S	97.9	Very high	97.7	Very high	16 Å²	16	39 Å²	39	11%	0.112	19%	0.191	C	C	.	.	S	Bend	trans	-77.7	159	178.1	71.8	0	0	0	0	111.9	R455 D456 F461 T462	R455-S459 WeakPolarHBondContact O-CB 3.49Å; R455-S459 PolarHBondContact O-N 3.35Å; D456-S459 WeakPolarHBondContact O-CB 3.43Å; D456-S459 PolarHBondContact O-N 3.02Å; D456-S459 VanDerWaalsContact O-N 3.12Å; D456-S459 PolarHBondContact O-OG 3.12Å; S459-F461 PolarHBondContact O-N 3.28Å; S459-F461 VanDerWaalsContact O-N 3.15Å; S459-F461 WeakPolarHBondContact OG-CD2 3.29Å; S459-F461 PolarHBondContact OG-N 3.05Å; S459-T462 PolarHBondContact O-N 3.31Å; S459-T462 PolarHBondContact O-OG1 3.17Å
460	E	97	Very high	97.6	Very high	156 Å²	156	41.4 Å²	41.4	73%	0.729	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65	-9.5	173.3	68	-172.5	138.6	0	0	113.5	T462	E460-T462 PolarHBondContact O-N 3.14Å
461	F	98.1	Very high	97.6	Very high	14 Å²	14	43.5 Å²	43.5	6%	0.061	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86	9.6	179.4	-47.4	-56.1	0	0	0	112.8	V62 F64 F366 I367 P369 Y371 S459	V62-F461 HydrophobicContact CG1-CD2 3.94Å; V62-F461 HydrophobicContact CG1-CE2 3.52Å; V62-F461 HydrophobicContact CG1-CZ 3.87Å; F64-F461 HydrophobicContact CD1-CD2 4.4Å; F64-F461 HydrophobicContact CD1-CE2 4.15Å; F64-F461 AromaticContact CE1-CD2 3.88Å; F64-F461 HydrophobicContact CE1-CD2 3.88Å; F64-F461 HydrophobicContact CE1-CE2 4.02Å; F64-F461 HydrophobicContact CZ-CD2 4.4Å; F366-F461 WeakPolarHBondContact CA-O 3.31Å; F366-F461 HydrophobicContact CD1-CB 4.45Å; F366-F461 HydrophobicContact CE1-CB 3.89Å; F366-F461 HydrophobicContact CE2-CB 3.99Å; F366-F461 HydrophobicContact CZ-CB 3.64Å; F366-F461 HydrophobicContact CZ-CD2 4.02Å; F366-F461 HydrophobicContact CZ-CG 4.17Å; I367-F461 PolarHBondContact N-O 3Å; P369-F461 HydrophobicContact CG-CD1 3.86Å; P369-F461 HydrophobicContact CG-CE1 3.93Å; Y371-F461 WeakPolarHBondContact OH-CE1 3.26Å; S459-F461 PolarHBondContact O-N 3.28Å; S459-F461 VanDerWaalsContact O-N 3.15Å; S459-F461 WeakPolarHBondContact OG-CD2 3.29Å; S459-F461 PolarHBondContact OG-N 3.05Å
462	T	98.2	Very high	97.5	Very high	12 Å²	12	43.4 Å²	43.4	7%	0.074	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	134.7	-176.5	66.4	0	0	0	0	113	L332 R364 Y365 F366 D456 W457 S459 E460	L332-T462 HydrophobicContact CD1-CG2 3.68Å; R364-T462 PolarHBondContact NH1-OG1 3Å; Y365-T462 CarbonylContact O-C 3.52Å; Y365-T462 WeakPolarHBondContact O-CA 3.44Å; Y365-T462 WeakPolarHBondContact O-CB 3.33Å; F366-T462 HydrophobicContact CB-CG2 4.39Å; F366-T462 HydrophobicContact CD2-CG2 3.52Å; F366-T462 HydrophobicContact CE2-CG2 4.13Å; F366-T462 HydrophobicContact CG-CG2 4.25Å; D456-T462 WeakPolarHBondContact O-CG2 3.47Å; W457-T462 PolarHBondContact O-OG1 2.79Å; S459-T462 PolarHBondContact O-N 3.31Å; S459-T462 PolarHBondContact O-OG1 3.17Å; E460-T462 PolarHBondContact O-N 3.14Å
463	D	96.5	Very high	97.5	Very high	92 Å²	92	46.8 Å²	46.8	49%	0.492	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	135.5	172.8	-66.4	-43.9	0	0	0	108.8	R364 Y365 I367 L465	R364-D463 CarbonylContact C-O 3.59Å; R364-D463 WeakPolarHBondContact CA-O 3.09Å; R364-D463 WeakPolarHBondContact CB-O 3.17Å; Y365-D463 PolarHBondContact N-O 3.22Å; Y365-D463 PolarHBondContact O-N 3.22Å; I367-D463 WeakPolarHBondContact CD1-OD2 3.43Å; D463-L465 PolarHBondContact O-N 3.31Å
464	E	96	Very high	97.4	Very high	74 Å²	74	50.7 Å²	50.7	35%	0.346	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	127.7	164.3	-156.3	81.9	-172.4	0	0	108.3	R362 R364	R362-E464 IonicContact CZ-OE1 3.46Å; R362-E464 IonicContact CZ-OE2 3.63Å; R362-E464 IonicContact NE-OE1 2.65Å; R362-E464 PolarHBondContact NE-OE1 3.06Å; R362-E464 IonicContact NE-OE2 2.79Å; R362-E464 IonicContact NH2-OE1 3.7Å; R362-E464 PolarHBondContact NH2-OE1 3.13Å; R362-E464 IonicContact NH2-OE2 3Å; R362-E464 PolarHBondContact NH2-OE2 2.85Å; R364-E464 WeakPolarHBondContact CG-OE2 2.87Å; R364-E464 IonicContact CZ-OE2 3.38Å; R364-E464 IonicContact NE-OE2 2.75Å; R364-E464 PolarHBondContact NE-OE2 3.31Å; R364-E464 IonicContact NH2-OE2 3.09Å; R364-E464 PolarHBondContact NH2-OE2 3.28Å; R364-E464 VanDerWaalsContact NH2-OE2 3.09Å
465	L	93.1	Very high	97.3	Very high	39 Å²	39	48.5 Å²	48.5	20%	0.204	24%	0.244	C	C	.	.			trans	-68.8	0	161.8	175.4	59.7	0	0	0	108.3	E344 L347 R351 V363 Y365 D463	E344-L465 HydrophobicContact CG-CD1 3.67Å; E344-L465 HydrophobicContact CG-CD2 4.36Å; L347-L465 HydrophobicContact CB-CD2 3.45Å; L347-L465 VanDerWaalsContact CB-CD2 3.45Å; L347-L465 HydrophobicContact CD1-CD2 4.31Å; R351-L465 PolarHBondContact NH1-O 3.43Å; R351-L465 PolarHBondContact NH1-OXT 2.71Å; R351-L465 PolarHBondContact NH2-OXT 3.21Å; V363-L465 HydrophobicContact CB-CB 4.34Å; V363-L465 HydrophobicContact CB-CD2 4.5Å; V363-L465 HydrophobicContact CG1-CB 4.28Å; V363-L465 HydrophobicContact CG1-CD2 4.18Å; V363-L465 PolarHBondContact O-N 3.43Å; V363-L465 VanDerWaalsContact O-N 3.08Å; Y365-L465 HydrophobicContact CD2-CB 4.38Å; Y365-L465 HydrophobicContact CE2-CB 4.35Å; Y365-L465 HydrophobicContact CE2-CD1 3.87Å; Y365-L465 HydrophobicContact CE2-CD2 4.36Å; Y365-L465 HydrophobicContact CE2-CG 4.42Å; D463-L465 PolarHBondContact O-N 3.31Å

Retrieved 465 of 465 residues in 159.3 ms (Link to these results)

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