A0A087XBF9_POEFO Loading...

Beta-1,4-galactosyltransferase

Responsible for the synthesis of complex-type N-linked oligosaccharides in many glycoproteins as well as the carbohydrate moieties of glycolipids.

AlphaFold DB , UniProt , Accession A0A087XBF9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 370 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	V	41	Very low	63	Low	192 Å²	192	129.3 Å²	129.3	100%	1.164	70%	0.695	S	S	*	*				0	96.4	0	-177.9	0	0	0	0	108	M3	V1-M3 PolarHBondContact O-N 2.97Å
2	K	43.3	Very low	65.1	Low	214 Å²	214	133.5 Å²	133.5	93%	0.93	69%	0.693	S	S	*	*			trans	-81.5	113.2	175.4	-91.4	179.9	173.5	177.3	0	107.4	A4	K2-A4 PolarHBondContact O-N 3.06Å
3	M	51.2	Low	66.7	Low	181 Å²	181	129 Å²	129	89%	0.892	68%	0.675	S	S	*	*			trans	-65.8	111.1	168.7	-76.4	-175.9	-144.4	0	0	108.1	V1 T5	V1-M3 PolarHBondContact O-N 2.97Å; M3-T5 PolarHBondContact O-N 3.37Å
4	A	56.6	Low	68.2	Low	97 Å²	97	124.9 Å²	124.9	80%	0.802	66%	0.661	S	S	*	*			trans	-71.7	108.8	165.3	0	0	0	0	0	107.3	K2 D6	K2-A4 PolarHBondContact O-N 3.06Å; A4-D6 PolarHBondContact O-N 3.25Å
5	T	62.3	Low	69.7	Low	100 Å²	100	124.7 Å²	124.7	61%	0.613	65%	0.653	S	S	*	*			trans	-61.6	118.9	168.8	14.3	0	0	0	0	108.4	M3 F7	M3-T5 PolarHBondContact O-N 3.37Å; T5-F7 WeakPolarHBondContact O-CD2 3.41Å; T5-F7 PolarHBondContact O-N 2.82Å
6	D	64.6	Low	71.1	Confident	105 Å²	105	123.4 Å²	123.4	56%	0.561	65%	0.646	S	S	*	*			trans	-71.3	92	-179.5	-170.9	-1.8	0	0	0	109.9	A4 S8 L9 I10	A4-D6 PolarHBondContact O-N 3.25Å; D6-S8 PolarHBondContact O-N 2.94Å; D6-S8 VanDerWaalsContact O-N 3.08Å; D6-S8 WeakPolarHBondContact OD1-CB 3.36Å; D6-S8 PolarHBondContact OD1-N 2.85Å; D6-L9 HydrophobicContact CB-CB 4.42Å; D6-L9 WeakPolarHBondContact O-CB 3.5Å; D6-L9 PolarHBondContact O-N 2.87Å; D6-I10 PolarHBondContact O-N 3.02Å
7	F	64.8	Low	72.4	Confident	163 Å²	163	120.8 Å²	120.8	72%	0.715	64%	0.636	S	S	*	*	H	α-helix	trans	-54	-25.2	178	-93.5	-92.6	0	0	0	112.8	T5 H11	T5-F7 WeakPolarHBondContact O-CD2 3.41Å; T5-F7 PolarHBondContact O-N 2.82Å; F7-H11 VanDerWaalsContact O-CB 3.29Å; F7-H11 WeakPolarHBondContact O-CB 3.36Å; F7-H11 PolarHBondContact O-N 3.3Å
8	S	71.7	Confident	73.6	Confident	58 Å²	58	119.7 Å²	119.7	41%	0.406	64%	0.635	S	S	.	*	H	α-helix	trans	-65.3	-41.2	176.1	-174.7	0	0	0	0	111.8	D6 H11 R12	D6-S8 PolarHBondContact O-N 2.94Å; D6-S8 VanDerWaalsContact O-N 3.08Å; D6-S8 WeakPolarHBondContact OD1-CB 3.36Å; D6-S8 PolarHBondContact OD1-N 2.85Å; S8-H11 PolarHBondContact O-N 3.12Å; S8-R12 VanDerWaalsContact O-CG 3.31Å; S8-R12 WeakPolarHBondContact O-CG 3.25Å; S8-R12 PolarHBondContact O-N 2.84Å
9	L	75.5	Confident	74.7	Confident	113 Å²	113	119.6 Å²	119.6	59%	0.592	63%	0.634	S	S	*	*	H	α-helix	trans	-68.2	-46.6	-179.5	-169.3	72.4	0	0	0	110.9	D6 H11 R12 T13	D6-L9 HydrophobicContact CB-CB 4.42Å; D6-L9 WeakPolarHBondContact O-CB 3.5Å; D6-L9 PolarHBondContact O-N 2.87Å; L9-H11 VanDerWaalsContact C-N 3.31Å; L9-H11 PolarHBondContact O-N 3.39Å; L9-R12 PolarHBondContact O-N 2.84Å; L9-T13 PolarHBondContact O-N 2.04Å; L9-T13 PolarHBondContact O-OG1 3.07Å
10	I	79.9	Confident	75.6	Confident	92 Å²	92	118.7 Å²	118.7	47%	0.472	63%	0.629	S	S	.	*	H	α-helix	trans	-61.2	-42.9	178.1	-64.2	173.9	0	0	0	110.4	D6 R12 T13 C14	D6-I10 PolarHBondContact O-N 3.02Å; I10-R12 PolarHBondContact O-N 3.38Å; I10-T13 PolarHBondContact O-N 3.1Å; I10-C14 WeakPolarHBondContact O-CB 3.42Å; I10-C14 PolarHBondContact O-N 2.84Å; I10-C14 PolarHBondContact O-SG 3.24Å; I10-C14 VanDerWaalsContact O-SG 3.36Å
11	H	82.5	Confident	76.3	Confident	107 Å²	107	116.3 Å²	116.3	50%	0.495	62%	0.621	S	S	.	*	H	α-helix	trans	-64.5	-39	178.9	-170.6	69.9	0	0	0	112.7	F7 S8 L9 K15	F7-H11 VanDerWaalsContact O-CB 3.29Å; F7-H11 WeakPolarHBondContact O-CB 3.36Å; F7-H11 PolarHBondContact O-N 3.3Å; S8-H11 PolarHBondContact O-N 3.12Å; L9-H11 VanDerWaalsContact C-N 3.31Å; L9-H11 PolarHBondContact O-N 3.39Å; H11-K15 WeakPolarHBondContact NE2-CE 3.1Å; H11-K15 PolarHBondContact NE2-NZ 3.2Å; H11-K15 WeakPolarHBondContact O-CG 3.42Å; H11-K15 PolarHBondContact O-N 2.94Å; H11-K15 VanDerWaalsContact O-N 3.09Å
12	R	87.4	Confident	78.8	Confident	180 Å²	180	114 Å²	114	68%	0.679	60%	0.596	S	S	*	*	H	α-helix	trans	-66.2	-42.4	174.4	-74.8	175.3	177.9	-166.5	-0.7	111.9	S8 L9 I10 K15 L16	S8-R12 VanDerWaalsContact O-CG 3.31Å; S8-R12 WeakPolarHBondContact O-CG 3.25Å; S8-R12 PolarHBondContact O-N 2.84Å; L9-R12 PolarHBondContact O-N 2.84Å; I10-R12 PolarHBondContact O-N 3.38Å; R12-K15 PolarHBondContact O-N 3.36Å; R12-L16 PolarHBondContact O-N 3.27Å
13	T	86.4	Confident	81.2	Confident	75 Å²	75	108.8 Å²	108.8	46%	0.46	58%	0.577	S	S	.	*	H	α-helix	trans	-65.4	-43.8	178.4	-51.2	0	0	0	0	111.4	L9 I10 K15 L16 V17	L9-T13 PolarHBondContact O-N 2.04Å; L9-T13 PolarHBondContact O-OG1 3.07Å; I10-T13 PolarHBondContact O-N 3.1Å; T13-K15 PolarHBondContact O-N 2.55Å; T13-L16 WeakPolarHBondContact O-CB 3.16Å; T13-L16 PolarHBondContact O-N 3.34Å; T13-V17 WeakPolarHBondContact O-CG2 3.43Å; T13-V17 PolarHBondContact O-N 3.34Å
14	C	87.1	Confident	83	Confident	71 Å²	71	106.5 Å²	106.5	48%	0.48	56%	0.564	S	S	.	*	H	α-helix	trans	-62.1	-41.7	175.6	-71.2	0	0	0	0	112.1	I10 L16 V17 V18	I10-C14 WeakPolarHBondContact O-CB 3.42Å; I10-C14 PolarHBondContact O-N 2.84Å; I10-C14 PolarHBondContact O-SG 3.24Å; I10-C14 VanDerWaalsContact O-SG 3.36Å; C14-L16 VanDerWaalsContact C-N 3.33Å; C14-L16 PolarHBondContact O-N 3.23Å; C14-V17 PolarHBondContact O-N 2.78Å; C14-V18 WeakPolarHBondContact O-CG2 3.1Å; C14-V18 PolarHBondContact O-N 3.32Å
15	K	90.5	Very high	84.7	Confident	122 Å²	122	106.8 Å²	106.8	53%	0.53	55%	0.551	S	S	.	*	H	α-helix	trans	-61.2	-40.8	174.7	-80.7	-179	168.7	169.4	0	112.3	H11 R12 T13 V18 L19	H11-K15 WeakPolarHBondContact NE2-CE 3.1Å; H11-K15 PolarHBondContact NE2-NZ 3.2Å; H11-K15 WeakPolarHBondContact O-CG 3.42Å; H11-K15 PolarHBondContact O-N 2.94Å; H11-K15 VanDerWaalsContact O-N 3.09Å; R12-K15 PolarHBondContact O-N 3.36Å; T13-K15 PolarHBondContact O-N 2.55Å; K15-V18 PolarHBondContact O-N 2.65Å; K15-L19 WeakPolarHBondContact O-CB 3.17Å; K15-L19 WeakPolarHBondContact O-CG 3.45Å; K15-L19 PolarHBondContact O-N 3.3Å
16	L	92.9	Very high	86	Confident	105 Å²	105	104.4 Å²	104.4	55%	0.55	54%	0.539	S	S	.	.	H	α-helix	trans	-63.5	-45	176.6	-168.2	80.5	0	0	0	111.5	R12 T13 C14 V18 L19 L20	R12-L16 PolarHBondContact O-N 3.27Å; T13-L16 WeakPolarHBondContact O-CB 3.16Å; T13-L16 PolarHBondContact O-N 3.34Å; C14-L16 VanDerWaalsContact C-N 3.33Å; C14-L16 PolarHBondContact O-N 3.23Å; L16-V18 PolarHBondContact O-N 3.04Å; L16-L19 PolarHBondContact O-N 2.86Å; L16-L20 HydrophobicContact CG-CD1 4.26Å; L16-L20 WeakPolarHBondContact O-CG 3.42Å; L16-L20 PolarHBondContact O-N 2.97Å
17	V	92.8	Very high	87.2	Confident	79 Å²	79	103.4 Å²	103.4	48%	0.479	54%	0.536	S	S	.	.	H	α-helix	trans	-61.9	-44.8	178.2	172.8	0	0	0	0	111	T13 C14 L19 L20 C21	T13-V17 WeakPolarHBondContact O-CG2 3.43Å; T13-V17 PolarHBondContact O-N 3.34Å; C14-V17 PolarHBondContact O-N 2.78Å; V17-L19 VanDerWaalsContact C-N 3.34Å; V17-L19 PolarHBondContact O-N 3.09Å; V17-L20 PolarHBondContact O-N 2.77Å; V17-C21 PolarHBondContact O-N 2.98Å; V17-C21 PolarHBondContact O-SG 3.01Å
18	V	94.1	Very high	88.1	Confident	100 Å²	100	99 Å²	99	61%	0.606	52%	0.523	S	S	*	.	H	α-helix	trans	-62.2	-41.2	177.3	173	0	0	0	0	111.5	C14 K15 L16 C21 F22	C14-V18 WeakPolarHBondContact O-CG2 3.1Å; C14-V18 PolarHBondContact O-N 3.32Å; K15-V18 PolarHBondContact O-N 2.65Å; L16-V18 PolarHBondContact O-N 3.04Å; V18-C21 PolarHBondContact O-N 3.33Å; V18-F22 WeakPolarHBondContact O-CB 3.28Å; V18-F22 PolarHBondContact O-N 3.13Å
19	L	94.1	Very high	88.8	Confident	118 Å²	118	100 Å²	100	62%	0.618	53%	0.526	S	S	*	.	H	α-helix	trans	-63.3	-41.8	175.6	-81.6	164.2	0	0	0	112.3	K15 L16 V17 F22 L23	K15-L19 WeakPolarHBondContact O-CB 3.17Å; K15-L19 WeakPolarHBondContact O-CG 3.45Å; K15-L19 PolarHBondContact O-N 3.3Å; L16-L19 PolarHBondContact O-N 2.86Å; V17-L19 VanDerWaalsContact C-N 3.34Å; V17-L19 PolarHBondContact O-N 3.09Å; L19-F22 PolarHBondContact O-N 3.26Å; L19-L23 WeakPolarHBondContact O-CB 3.3Å; L19-L23 PolarHBondContact O-N 2.89Å
20	L	92.9	Very high	89.3	Confident	101 Å²	101	100.2 Å²	100.2	53%	0.529	52%	0.523	S	S	.	.	H	α-helix	trans	-66.4	-40	176.5	-70.9	170.8	0	0	0	111.8	L16 V17 L23 H24	L16-L20 HydrophobicContact CG-CD1 4.26Å; L16-L20 WeakPolarHBondContact O-CG 3.42Å; L16-L20 PolarHBondContact O-N 2.97Å; V17-L20 PolarHBondContact O-N 2.77Å; L20-L23 PolarHBondContact O-N 3.28Å; L20-H24 WeakPolarHBondContact O-CB 3.41Å; L20-H24 PolarHBondContact O-N 2.85Å
21	C	90	Very high	89.2	Confident	69 Å²	69	103 Å²	103	47%	0.466	53%	0.531	S	S	.	.	H	α-helix	trans	-63.5	-43.7	173.8	-70.6	0	0	0	0	111.6	V17 V18 H24 I25	V17-C21 PolarHBondContact O-N 2.98Å; V17-C21 PolarHBondContact O-SG 3.01Å; V18-C21 PolarHBondContact O-N 3.33Å; C21-H24 PolarHBondContact O-N 2.88Å; C21-I25 WeakPolarHBondContact O-CB 3.29Å; C21-I25 VanDerWaalsContact O-CG1 3.26Å; C21-I25 WeakPolarHBondContact O-CG1 3.46Å; C21-I25 PolarHBondContact O-N 2.91Å
22	F	94.3	Very high	88.8	Confident	145 Å²	145	105.7 Å²	105.7	64%	0.636	54%	0.539	S	S	*	.	H	α-helix	trans	-61.7	-46.6	176.7	-171.2	-95.5	0	0	0	111.1	V18 L19 H24 I25 S26	V18-F22 WeakPolarHBondContact O-CB 3.28Å; V18-F22 PolarHBondContact O-N 3.13Å; L19-F22 PolarHBondContact O-N 3.26Å; F22-H24 PolarHBondContact O-N 3Å; F22-I25 PolarHBondContact O-N 3.33Å; F22-S26 WeakPolarHBondContact O-CB 3.4Å; F22-S26 PolarHBondContact O-N 3.11Å; F22-S26 PolarHBondContact O-OG 3Å
23	L	93.3	Very high	88.2	Confident	104 Å²	104	100.5 Å²	100.5	55%	0.545	53%	0.526	S	S	.	.	H	α-helix	trans	-58.5	-45.8	175.9	-177.3	66.9	0	0	0	111.8	L19 L20 I25 S26 V27	L19-L23 WeakPolarHBondContact O-CB 3.3Å; L19-L23 PolarHBondContact O-N 2.89Å; L20-L23 PolarHBondContact O-N 3.28Å; L23-I25 PolarHBondContact O-N 2.83Å; L23-S26 PolarHBondContact O-N 3.46Å; L23-V27 VanDerWaalsContact O-CG2 3.31Å; L23-V27 WeakPolarHBondContact O-CG2 3.38Å; L23-V27 PolarHBondContact O-N 2.83Å
24	H	89.9	Confident	87.5	Confident	133 Å²	133	104 Å²	104	62%	0.616	53%	0.531	S	S	*	.	H	α-helix	trans	-62	-43.7	178.2	-175.5	-82	0	0	0	111.9	L20 C21 F22 V27 T28	L20-H24 WeakPolarHBondContact O-CB 3.41Å; L20-H24 PolarHBondContact O-N 2.85Å; C21-H24 PolarHBondContact O-N 2.88Å; F22-H24 PolarHBondContact O-N 3Å; H24-V27 PolarHBondContact O-N 2.66Å; H24-T28 WeakPolarHBondContact O-CB 3.43Å; H24-T28 PolarHBondContact O-N 2.98Å; H24-T28 PolarHBondContact O-OG1 3.02Å
25	I	92.3	Very high	86.3	Confident	102 Å²	102	104.8 Å²	104.8	52%	0.523	53%	0.534	S	S	.	.	H	α-helix	trans	-64.3	-44.9	176.3	-67.8	165.9	0	0	0	110.2	C21 F22 L23 V27 T28 V29	C21-I25 WeakPolarHBondContact O-CB 3.29Å; C21-I25 VanDerWaalsContact O-CG1 3.26Å; C21-I25 WeakPolarHBondContact O-CG1 3.46Å; C21-I25 PolarHBondContact O-N 2.91Å; F22-I25 PolarHBondContact O-N 3.33Å; L23-I25 PolarHBondContact O-N 2.83Å; I25-V27 PolarHBondContact O-N 2.86Å; I25-T28 PolarHBondContact O-N 3.33Å; I25-V29 HydrophobicContact CG2-CG2 4.18Å; I25-V29 WeakPolarHBondContact O-CB 3.47Å; I25-V29 VanDerWaalsContact O-CG2 3.28Å; I25-V29 WeakPolarHBondContact O-CG2 3.32Å; I25-V29 PolarHBondContact O-N 3.22Å
26	S	88.9	Confident	84.8	Confident	51 Å²	51	104 Å²	104	36%	0.357	54%	0.535	S	S	.	.	H	α-helix	trans	-61	-42.7	177.7	-61	0	0	0	0	112.5	F22 L23 V29 F30	F22-S26 WeakPolarHBondContact O-CB 3.4Å; F22-S26 PolarHBondContact O-N 3.11Å; F22-S26 PolarHBondContact O-OG 3Å; L23-S26 PolarHBondContact O-N 3.46Å; S26-V29 PolarHBondContact O-N 3.43Å; S26-F30 VanDerWaalsContact O-CB 3.3Å; S26-F30 WeakPolarHBondContact O-CB 3.39Å; S26-F30 PolarHBondContact O-N 3.12Å
27	V	90.5	Very high	82.6	Confident	84 Å²	84	104.1 Å²	104.1	51%	0.509	54%	0.536	S	S	.	.	H	α-helix	trans	-64.6	-43.3	175.3	171.5	0	0	0	0	110.8	L23 H24 I25 F30 F31	L23-V27 VanDerWaalsContact O-CG2 3.31Å; L23-V27 WeakPolarHBondContact O-CG2 3.38Å; L23-V27 PolarHBondContact O-N 2.83Å; H24-V27 PolarHBondContact O-N 2.66Å; I25-V27 PolarHBondContact O-N 2.86Å; V27-F30 PolarHBondContact O-N 3.41Å; V27-F31 WeakPolarHBondContact O-CB 3.43Å; V27-F31 PolarHBondContact O-N 3.49Å
28	T	83.8	Confident	80.4	Confident	70 Å²	70	106.4 Å²	106.4	43%	0.429	54%	0.544	S	S	.	.	H	α-helix	trans	-62.6	-46.3	178.2	-55.9	0	0	0	0	111.1	H24 I25 F31 Y32	H24-T28 WeakPolarHBondContact O-CB 3.43Å; H24-T28 PolarHBondContact O-N 2.98Å; H24-T28 PolarHBondContact O-OG1 3.02Å; I25-T28 PolarHBondContact O-N 3.33Å; T28-F31 PolarHBondContact O-N 2.96Å; T28-Y32 WeakPolarHBondContact O-CB 3.47Å; T28-Y32 PolarHBondContact O-N 3.29Å
29	V	86	Confident	78.1	Confident	80 Å²	80	109.7 Å²	109.7	49%	0.485	55%	0.546	S	S	.	.	H	α-helix	trans	-63.7	-43.8	177	170.4	0	0	0	0	110.8	I25 S26 F31 Y32 V33	I25-V29 HydrophobicContact CG2-CG2 4.18Å; I25-V29 WeakPolarHBondContact O-CB 3.47Å; I25-V29 VanDerWaalsContact O-CG2 3.28Å; I25-V29 WeakPolarHBondContact O-CG2 3.32Å; I25-V29 PolarHBondContact O-N 3.22Å; S26-V29 PolarHBondContact O-N 3.43Å; V29-F31 VanDerWaalsContact C-N 3.32Å; V29-F31 PolarHBondContact O-N 2.83Å; V29-Y32 PolarHBondContact O-N 2.84Å; V29-V33 HydrophobicContact CG1-CG2 4.07Å; V29-V33 WeakPolarHBondContact O-CB 3.43Å; V29-V33 VanDerWaalsContact O-CG2 3.27Å; V29-V33 WeakPolarHBondContact O-CG2 3.35Å; V29-V33 PolarHBondContact O-N 3.33Å
30	F	84.6	Confident	75.8	Confident	117 Å²	117	111.6 Å²	111.6	51%	0.513	55%	0.55	S	S	.	.	H	α-helix	trans	-59.7	-42.8	176	178.8	-97.7	0	0	0	111.9	S26 V27 Y32 R34	S26-F30 VanDerWaalsContact O-CB 3.3Å; S26-F30 WeakPolarHBondContact O-CB 3.39Å; S26-F30 PolarHBondContact O-N 3.12Å; V27-F30 PolarHBondContact O-N 3.41Å; F30-Y32 VanDerWaalsContact C-N 3.34Å; F30-R34 HydrophobicContact CD1-CG 4.25Å; F30-R34 HydrophobicContact CD2-CG 4.49Å; F30-R34 HydrophobicContact CE1-CG 3.93Å; F30-R34 HydrophobicContact CE2-CG 4.19Å; F30-R34 HydrophobicContact CZ-CG 3.92Å; F30-R34 VanDerWaalsContact CZ-NE 3.26Å; F30-R34 VanDerWaalsContact O-CB 3.25Å; F30-R34 WeakPolarHBondContact O-CB 3.29Å; F30-R34 VanDerWaalsContact O-CG 3.27Å; F30-R34 WeakPolarHBondContact O-CG 3.39Å; F30-R34 PolarHBondContact O-N 3Å
31	F	77.8	Confident	73.3	Confident	149 Å²	149	111.1 Å²	111.1	65%	0.654	55%	0.554	S	S	*	*	H	α-helix	trans	-64.6	-40.7	175.9	-141.7	-87.2	0	0	0	111.4	V27 T28 V29 T35	V27-F31 WeakPolarHBondContact O-CB 3.43Å; V27-F31 PolarHBondContact O-N 3.49Å; T28-F31 PolarHBondContact O-N 2.96Å; V29-F31 VanDerWaalsContact C-N 3.32Å; V29-F31 PolarHBondContact O-N 2.83Å; F31-T35 WeakPolarHBondContact O-CB 3.42Å; F31-T35 PolarHBondContact O-N 3.11Å; F31-T35 PolarHBondContact O-OG1 3.04Å
32	Y	74.7	Confident	70.9	Confident	165 Å²	165	115.5 Å²	115.5	65%	0.647	57%	0.566	S	S	*	*	H	α-helix	trans	-67.4	-44.5	179.2	-147.3	-95	0	0	0	112.1	T28 V29 F30 T35 L36	T28-Y32 WeakPolarHBondContact O-CB 3.47Å; T28-Y32 PolarHBondContact O-N 3.29Å; V29-Y32 PolarHBondContact O-N 2.84Å; F30-Y32 VanDerWaalsContact C-N 3.34Å; Y32-T35 PolarHBondContact O-N 3.18Å; Y32-L36 HydrophobicContact CD1-CD1 3.74Å; Y32-L36 HydrophobicContact CE1-CD1 3.97Å; Y32-L36 WeakPolarHBondContact O-CG 3.3Å; Y32-L36 PolarHBondContact O-N 3.11Å; Y32-L36 VanDerWaalsContact O-N 3.09Å
33	V	76.2	Confident	68.4	Low	70 Å²	70	113.7 Å²	113.7	42%	0.424	57%	0.566	S	S	.	*	H	α-helix	trans	-66.4	-44.6	177	172.5	0	0	0	0	110.8	V29 T35 L36 D37	V29-V33 HydrophobicContact CG1-CG2 4.07Å; V29-V33 WeakPolarHBondContact O-CB 3.43Å; V29-V33 VanDerWaalsContact O-CG2 3.27Å; V29-V33 WeakPolarHBondContact O-CG2 3.35Å; V29-V33 PolarHBondContact O-N 3.33Å; V33-T35 PolarHBondContact O-N 3.13Å; V33-L36 PolarHBondContact O-N 3.48Å; V33-D37 PolarHBondContact O-N 3.36Å
34	R	70.7	Confident	65.9	Low	149 Å²	149	115.7 Å²	115.7	56%	0.562	57%	0.573	S	S	*	*	H	α-helix	trans	-59.9	-32.6	173.2	-79.4	-104.5	179.2	163.4	-2.5	113	F30	F30-R34 HydrophobicContact CD1-CG 4.25Å; F30-R34 HydrophobicContact CD2-CG 4.49Å; F30-R34 HydrophobicContact CE1-CG 3.93Å; F30-R34 HydrophobicContact CE2-CG 4.19Å; F30-R34 HydrophobicContact CZ-CG 3.92Å; F30-R34 VanDerWaalsContact CZ-NE 3.26Å; F30-R34 VanDerWaalsContact O-CB 3.25Å; F30-R34 WeakPolarHBondContact O-CB 3.29Å; F30-R34 VanDerWaalsContact O-CG 3.27Å; F30-R34 WeakPolarHBondContact O-CG 3.39Å; F30-R34 PolarHBondContact O-N 3Å
35	T	61.8	Low	63.3	Low	87 Å²	87	116.2 Å²	116.2	53%	0.534	58%	0.581	S	S	.	*	H	α-helix	trans	-74.5	-27.5	177	-55.5	0	0	0	0	112	F31 Y32 V33	F31-T35 WeakPolarHBondContact O-CB 3.42Å; F31-T35 PolarHBondContact O-N 3.11Å; F31-T35 PolarHBondContact O-OG1 3.04Å; Y32-T35 PolarHBondContact O-N 3.18Å; V33-T35 PolarHBondContact O-N 3.13Å
36	L	58.5	Low	60.7	Low	107 Å²	107	118.9 Å²	118.9	56%	0.56	59%	0.591	S	S	*	*	H	α-helix	trans	-83.1	-43.5	176.6	-76.9	161.6	0	0	0	112.9	Y32 V33 I38	Y32-L36 HydrophobicContact CD1-CD1 3.74Å; Y32-L36 HydrophobicContact CE1-CD1 3.97Å; Y32-L36 WeakPolarHBondContact O-CG 3.3Å; Y32-L36 PolarHBondContact O-N 3.11Å; Y32-L36 VanDerWaalsContact O-N 3.09Å; V33-L36 PolarHBondContact O-N 3.48Å; L36-I38 PolarHBondContact O-N 3.02Å
37	D	48.2	Very low	58.4	Low	107 Å²	107	123.9 Å²	123.9	57%	0.572	61%	0.608	S	S	*	*	H	α-helix	trans	-74.1	-23.7	-168.7	-115	-20.4	0	0	0	114.7	V33	V33-D37 PolarHBondContact O-N 3.36Å
38	I	46.3	Very low	55.8	Low	126 Å²	126	124.9 Å²	124.9	65%	0.646	62%	0.619	S	S	*	*	H	α-helix	trans	-83	-17.1	-177.3	-61.6	175	0	0	0	112.2	L36	L36-I38 PolarHBondContact O-N 3.02Å
39	R	45.7	Very low	53.4	Low	170 Å²	170	130.1 Å²	130.1	64%	0.642	64%	0.638	S	S	*	*	H	α-helix	trans	-97.5	-21.4	-175.7	-77.6	-169.6	174.7	-161.3	-1	115.4
40	F	45.7	Very low	51.2	Low	158 Å²	158	130.2 Å²	130.2	69%	0.693	64%	0.643	S	S	*	*	H	α-helix	trans	-87.9	-34.1	-173	-131.3	-89.9	0	0	0	113.4
41	S	39.9	Very low	48.7	Very low	90 Å²	90	131.4 Å²	131.4	63%	0.629	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.8	-16.4	-169.8	-53.8	0	0	0	0	115.2
42	F	39.3	Very low	46.6	Very low	161 Å²	161	132.6 Å²	132.6	71%	0.706	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.9	-22.5	-176.5	-161.4	-100.5	0	0	0	114.2
43	V	41.8	Very low	44.5	Very low	107 Å²	107	131.1 Å²	131.1	65%	0.648	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.8	-22.5	-175	-179.8	0	0	0	0	112.5
44	Q	41.8	Very low	42.4	Very low	146 Å²	146	139.2 Å²	139.2	68%	0.682	70%	0.698	S	S	*	*	S	Bend	trans	-82.1	-16.7	-172.7	-157.2	159.3	-14.5	0	0	114.1
45	N	34.4	Very low	40.7	Very low	145 Å²	145	140.5 Å²	140.5	78%	0.775	72%	0.715	S	S	*	*	S	Bend	trans	-104.5	-1.4	-168.2	-119.2	-0.5	0	0	0	116.5
46	Q	38.6	Very low	39.1	Very low	157 Å²	157	147.2 Å²	147.2	73%	0.734	73%	0.731	S	S	*	*	S	Bend	trans	-106.6	-12.8	-178.7	-107.8	-174.6	-2.6	0	0	115.9
47	Q	39.8	Very low	37.7	Very low	156 Å²	156	152 Å²	152	73%	0.729	75%	0.749	S	S	*	*	S	Bend	trans	-103.9	-5.1	-175.9	-79.4	-176.7	-24.7	0	0	115.3
48	S	35.7	Very low	36.7	Very low	105 Å²	105	150.7 Å²	150.7	73%	0.734	76%	0.761	S	S	*	*	S	Bend	trans	-84.7	-6.8	-176.8	-155.8	0	0	0	0	114.9
49	H	34.9	Very low	35.8	Very low	181 Å²	181	152.9 Å²	152.9	84%	0.838	77%	0.773	S	S	*	*	S	Bend	trans	-111.9	-4.8	-172.6	-93.2	-66.1	0	0	0	116.9
50	S	38.3	Very low	35	Very low	82 Å²	82	151.5 Å²	151.5	57%	0.573	78%	0.784	S	S	*	*	S	Bend	trans	-104.8	-7.2	-172.5	66	0	0	0	0	116.8
51	N	32.9	Very low	34.6	Very low	142 Å²	142	149.6 Å²	149.6	76%	0.759	79%	0.787	S	S	*	*	S	Bend	trans	-109.7	5.1	-167.2	-71.6	-10.3	0	0	0	116.1
52	L	32.4	Very low	34	Very low	174 Å²	174	150.2 Å²	150.2	91%	0.911	80%	0.798	S	S	*	*	S	Bend	trans	-94.9	13.4	-177.5	-152.5	69.5	0	0	0	115.1
53	T	31.9	Very low	33.3	Very low	134 Å²	134	148 Å²	148	82%	0.822	80%	0.802	S	S	*	*	S	Bend	trans	-127.9	7.7	-173.1	-17	0	0	0	0	115.8
54	R	32.7	Very low	32.6	Very low	240 Å²	240	147.8 Å²	147.8	91%	0.906	81%	0.806	S	S	*	*	S	Bend	trans	-123.4	15.6	-172.5	-136.6	-179.5	-169.9	-172.3	2.5	117.6
55	L	33.3	Very low	31.9	Very low	175 Å²	175	146.6 Å²	146.6	92%	0.916	81%	0.813	S	S	*	*			trans	-130.6	59.4	178.9	-101.3	145	0	0	0	111.9
56	R	30	Very low	31.5	Very low	229 Å²	229	142.7 Å²	142.7	86%	0.864	81%	0.808	S	S	*	*			trans	-146.5	95.6	157.4	-87.5	-170.8	174.4	-177.3	-2.1	107.6
57	H	29.2	Very low	30.9	Very low	206 Å²	206	142.2 Å²	142.2	95%	0.954	82%	0.816	S	S	*	*			trans	172.2	120.9	143.3	-91.1	-60.5	0	0	0	109.4
58	G	27.1	Very low	30.2	Very low	80 Å²	80	142.2 Å²	142.2	83%	0.825	82%	0.816	S	S	*	*			trans	136.2	70.6	163.2	0	0	0	0	0	115.9
59	L	27.2	Very low	29.9	Very low	172 Å²	172	143.5 Å²	143.5	90%	0.901	82%	0.821	S	S	*	*			trans	-140	115.7	162.5	-100.4	161.9	0	0	0	108.3
60	V	28.9	Very low	29.5	Very low	141 Å²	141	143.3 Å²	143.3	86%	0.855	82%	0.818	S	S	*	*			trans	-144.4	141.2	156.8	179.2	0	0	0	0	108.1
61	P	36.3	Very low	29	Very low	119 Å²	119	148.9 Å²	148.9	77%	0.773	84%	0.835	S	S	*	*			trans	-109.1	170.1	-163.2	39.8	-28.5	0	0	0	113.9
62	A	27.1	Very low	28.6	Very low	103 Å²	103	148.2 Å²	148.2	85%	0.851	84%	0.836	S	S	*	*			trans	-146.7	132.2	161.3	0	0	0	0	0	112.6
63	S	25.2	Very low	28.4	Very low	113 Å²	113	144.8 Å²	144.8	79%	0.79	83%	0.833	S	S	*	*			trans	-81.6	155.8	177	51.4	0	0	0	0	113.6
64	S	27.5	Very low	28.2	Very low	104 Å²	104	144.6 Å²	144.6	73%	0.727	83%	0.832	S	S	*	*				157.3	120.9	113.8	66.5	0	0	0	0	114.2
65	S	26.6	Very low	28	Very low	120 Å²	120	144.5 Å²	144.5	84%	0.839	83%	0.832	S	S	*	*			trans	32.6	137.1	135.4	61.3	0	0	0	0	124.1
66	G	25.4	Very low	27.7	Very low	64 Å²	64	147.2 Å²	147.2	66%	0.66	83%	0.83	S	S	*	*				123.7	90.9	126.9	0	0	0	0	0	116.7
67	T	25.9	Very low	27.6	Very low	147 Å²	147	148 Å²	148	90%	0.902	83%	0.833	S	S	*	*				76.6	117.9	103.9	-29.2	0	0	0	0	116.6
68	E	26.1	Very low	27.6	Very low	156 Å²	156	147 Å²	147	73%	0.729	83%	0.828	S	S	*	*			trans	-66.9	166	164.3	-63.4	-175.5	149.5	0	0	112.2
69	P	29.8	Very low	27.6	Very low	131 Å²	131	152.2 Å²	152.2	85%	0.851	83%	0.831	S	S	*	*				-143.1	155.2	99.9	25.8	-5.5	0	0	0	116.2
70	K	26.1	Very low	27.7	Very low	177 Å²	177	149.4 Å²	149.4	77%	0.77	82%	0.821	S	S	*	*			trans	-64.9	147.6	167.3	-68	173.5	175.1	174	0	112.2
71	E	26.7	Very low	27.6	Very low	199 Å²	199	152.9 Å²	152.9	93%	0.93	83%	0.825	S	S	*	*			trans	-147.9	139.6	146.2	-124.2	178	-165.2	0	0	112.7
72	T	25.2	Very low	27.2	Very low	129 Å²	129	158.3 Å²	158.3	79%	0.791	83%	0.83	S	S	*	*			trans	-103.4	131.6	-173.3	-52.2	0	0	0	0	108.2
73	A	29.1	Very low	27.3	Very low	102 Å²	102	162 Å²	162	84%	0.843	83%	0.829	S	S	*	*			trans	-154.7	111.8	160.5	0	0	0	0	0	113.4
74	T	26.3	Very low	27.6	Very low	130 Å²	130	162.7 Å²	162.7	80%	0.798	83%	0.831	S	S	*	*			trans	-65.1	133.6	168	-35.4	0	0	0	0	111.3
75	R	30.2	Very low	27.7	Very low	238 Å²	238	164.2 Å²	164.2	90%	0.898	84%	0.836	S	S	*	*			trans	-159.2	108.9	152.7	-114.3	170.9	-170.3	-163.1	3	114.6
76	R	26.5	Very low	28.2	Very low	232 Å²	232	167.5 Å²	167.5	88%	0.875	84%	0.838	S	S	*	*			trans	42.2	112.6	138.7	-67.8	-177.2	-178.3	-174.8	-0.4	119.9
77	R	27.6	Very low	28.5	Very low	245 Å²	245	171.5 Å²	171.5	93%	0.925	84%	0.844	S	S	*	*			trans	-45.2	127.9	150	-96.3	175.1	169.1	-170.6	-3.7	111.6
78	Q	28.5	Very low	29	Very low	184 Å²	184	168 Å²	168	86%	0.86	84%	0.837	S	S	*	*			trans	-122.5	117.5	152.7	-93.6	-179.3	-28.9	0	0	108.1
79	E	28.2	Very low	29.6	Very low	191 Å²	191	168.1 Å²	168.1	89%	0.893	84%	0.838	S	S	*	*			trans	-67.6	122.3	168.5	-76.9	174.1	137.3	0	0	109.4
80	V	28.4	Very low	29.9	Very low	112 Å²	112	169.4 Å²	169.4	68%	0.679	84%	0.837	S	S	*	*			trans	-115.3	106.1	164.3	177.2	0	0	0	0	107	R82	V80-R82 HydrophobicContact CG1-CG 4.31Å; V80-R82 PolarHBondContact O-N 3.25Å
81	K	27.5	Very low	30.6	Very low	215 Å²	215	166.3 Å²	166.3	94%	0.935	83%	0.834	S	S	*	*			trans	-57	120	166	-87.9	175.6	171.6	176.4	0	108.9
82	R	28.1	Very low	31.4	Very low	232 Å²	232	163 Å²	163	88%	0.875	83%	0.827	S	S	*	*			trans	-122.1	127.5	162.4	-74.7	-174.4	178	-173.6	-0.7	108.9	V80	V80-R82 HydrophobicContact CG1-CG 4.31Å; V80-R82 PolarHBondContact O-N 3.25Å
83	Q	29.6	Very low	32.7	Very low	181 Å²	181	165.4 Å²	165.4	85%	0.846	83%	0.829	S	S	*	*			trans	-63	157.5	174.8	-77.1	165.2	-27.1	0	0	111.2	T85	Q83-T85 PolarHBondContact O-N 2.78Å
84	P	31.3	Very low	34	Very low	128 Å²	128	168.7 Å²	168.7	83%	0.831	83%	0.827	S	S	*	*			trans	-79	118	-174.2	6.3	10.6	0	0	0	110.2
85	T	28.9	Very low	35.4	Very low	136 Å²	136	168.1 Å²	168.1	83%	0.834	83%	0.826	S	S	*	*			trans	-86.4	108.7	161.4	-14.1	0	0	0	0	107.3	Q83 L87	Q83-T85 PolarHBondContact O-N 2.78Å; T85-L87 PolarHBondContact O-N 3.47Å
86	E	36	Very low	37.1	Very low	188 Å²	188	163.5 Å²	163.5	88%	0.879	82%	0.823	S	S	*	*			trans	-62	101.7	166.9	-70.6	-177	159.1	0	0	108.7
87	L	32.9	Very low	39.4	Very low	148 Å²	148	161.2 Å²	161.2	78%	0.775	82%	0.82	S	S	*	*			trans	-107.6	94.3	161.1	-158.1	77.8	0	0	0	106.2	T85 Q89	T85-L87 PolarHBondContact O-N 3.47Å; L87-Q89 VanDerWaalsContact C-N 3.3Å; L87-Q89 PolarHBondContact O-N 3.19Å
88	G	35.5	Very low	42.1	Very low	74 Å²	74	155.2 Å²	155.2	76%	0.763	81%	0.813	S	S	*	*			trans	-59.8	93	171.9	0	0	0	0	0	109.9	N90	G88-N90 VanDerWaalsContact C-N 3.3Å; G88-N90 PolarHBondContact O-N 2.97Å; G88-N90 VanDerWaalsContact O-N 3.12Å
89	Q	38.3	Very low	45.1	Very low	159 Å²	159	151.1 Å²	151.1	74%	0.743	80%	0.796	S	S	*	*			trans	-74.5	93	159.5	-80.5	179.5	-29.9	0	0	106.9	L87 T91	L87-Q89 VanDerWaalsContact C-N 3.3Å; L87-Q89 PolarHBondContact O-N 3.19Å; Q89-T91 PolarHBondContact O-N 3.43Å
90	N	37.7	Very low	48.3	Very low	157 Å²	157	149.9 Å²	149.9	84%	0.84	79%	0.79	S	S	*	*			trans	-64.5	78.3	154.7	-85.8	-11.2	0	0	0	107.7	G88 T92	G88-N90 VanDerWaalsContact C-N 3.3Å; G88-N90 PolarHBondContact O-N 2.97Å; G88-N90 VanDerWaalsContact O-N 3.12Å; N90-T92 PolarHBondContact O-N 3.06Å
91	T	40.3	Very low	51.6	Low	113 Å²	113	152.3 Å²	152.3	69%	0.693	79%	0.792	S	S	*	*			trans	-69.6	92.7	153.1	23.6	0	0	0	0	106.1	Q89 E93	Q89-T91 PolarHBondContact O-N 3.43Å; T91-E93 PolarHBondContact O-N 3.41Å
92	T	44.2	Very low	55	Low	130 Å²	130	142.4 Å²	142.4	80%	0.798	75%	0.749	S	S	*	*			trans	-55.9	94.2	152	36	0	0	0	0	106.5	N90 E94	N90-T92 PolarHBondContact O-N 3.06Å; T92-E94 VanDerWaalsContact C-N 3.34Å; T92-E94 PolarHBondContact O-N 3.25Å
93	E	51.1	Low	58.3	Low	178 Å²	178	134.5 Å²	134.5	83%	0.832	73%	0.728	S	S	*	*			trans	-59.7	102.4	163.8	-72.8	-174.5	164	0	0	106.1	T91	T91-E93 PolarHBondContact O-N 3.41Å
94	E	57.1	Low	61.4	Low	172 Å²	172	131.8 Å²	131.8	80%	0.804	72%	0.715	S	S	*	*			trans	-55.1	130	166.4	-79.8	-156.3	153.1	0	0	107.3	T92 V96	T92-E94 VanDerWaalsContact C-N 3.34Å; T92-E94 PolarHBondContact O-N 3.25Å; E94-V96 PolarHBondContact O-N 3.07Å
95	P	54.6	Low	64.5	Low	117 Å²	117	130.8 Å²	130.8	76%	0.76	71%	0.707	S	S	*	*			trans	-58.3	114.8	179.3	21.5	-29.9	0	0	0	108.1	K97	P95-K97 PolarHBondContact O-N 3.14Å
96	V	66	Low	67.8	Low	141 Å²	141	124.9 Å²	124.9	86%	0.855	67%	0.671	S	S	*	*			trans	-55.3	103.9	178	179.5	0	0	0	0	107	E94	E94-V96 PolarHBondContact O-N 3.07Å
97	K	74.9	Confident	70.7	Confident	184 Å²	184	120.8 Å²	120.8	80%	0.8	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-55.9	131.5	178.5	-77.8	177.8	-179.4	169.9	0	107.8	P95 L99	P95-K97 PolarHBondContact O-N 3.14Å; K97-L99 PolarHBondContact O-N 3.14Å
98	P	85.3	Confident	73.9	Confident	119 Å²	119	118 Å²	118	77%	0.773	65%	0.647	S	S	*	*	P	Polyproline II helix	trans	-58.1	130.3	179.7	22.4	-31.2	0	0	0	109.2	Q100	P98-Q100 PolarHBondContact O-N 3.43Å
99	L	90.8	Very high	76.9	Confident	99 Å²	99	116.3 Å²	116.3	52%	0.518	62%	0.62	S	S	.	*	P	Polyproline II helix	trans	-56.3	133.4	178.5	-71.6	175.4	0	0	0	109.7	K97 K142 V145	K97-L99 PolarHBondContact O-N 3.14Å; L99-K142 WeakPolarHBondContact CD1-O 3.29Å; L99-V145 HydrophobicContact CB-CG2 3.87Å
100	Q	95.9	Very high	79.7	Confident	164 Å²	164	113.4 Å²	113.4	77%	0.766	61%	0.613	S	S	*	*	P	Polyproline II helix	trans	-71.9	159.7	174.3	-65.3	-177.2	-5.3	0	0	110.5	P98 C144 V145	P98-Q100 PolarHBondContact O-N 3.43Å; Q100-C144 CarbonylContact O-C 3.56Å; Q100-C144 VanDerWaalsContact O-CA 3.25Å; Q100-C144 WeakPolarHBondContact O-CA 3.49Å; Q100-C144 WeakPolarHBondContact O-CB 3.38Å; Q100-V145 PolarHBondContact O-N 3.15Å
101	K	97.6	Very high	82.6	Confident	164 Å²	164	106.2 Å²	106.2	71%	0.713	58%	0.576	S	S	*	*	B	Isolated β-bridge	trans	-65.9	145.3	172	-69.3	-173.7	178.1	-175.8	0	110.4	V145 L147	K101-V145 CarbonylContact C-O 3.54Å; K101-V145 WeakPolarHBondContact CA-O 3.27Å; K101-L147 HydrophobicContact CB-CD2 4.01Å; K101-L147 HydrophobicContact CD-CD2 4.16Å
102	C	98	Very high	85.4	Confident	6 Å²	6	105.4 Å²	105.4	4%	0.041	57%	0.572	C	S	.	*	P	Polyproline II helix	trans	-61.3	149.9	172.2	-56.6	0	0	0	0	110.3	C144 V145 L147 Q178	C102-C144 WeakPolarHBondContact CA-SG 3.37Å; C102-C144 HydrophobicContact CB-CB 3.96Å; C102-C144 WeakPolarHBondContact CB-SG 3.32Å; C102-C144 VanDerWaalsContact SG-C 3.59Å; C102-C144 WeakPolarHBondContact SG-CB 3.16Å; C102-C144 CovalentContact SG-SG 2.04Å; C102-C144 PolarHBondContact SG-SG 3.19Å; C102-V145 PolarHBondContact N-O 2.83Å; C102-V145 PolarHBondContact SG-O 3.14Å; C102-V145 VanDerWaalsContact SG-O 3.38Å; C102-L147 WeakPolarHBondContact O-CD2 3.4Å; C102-Q178 HydrophobicContact CB-CB 4.29Å
103	P	97.4	Very high	87.9	Confident	66 Å²	66	101 Å²	101	43%	0.429	54%	0.544	S	S	.	.	P	Polyproline II helix	trans	-65.6	152.6	179.4	27.5	-34.4	0	0	0	111.9	T105	P103-T105 PolarHBondContact O-N 2.96Å
104	E	94.9	Very high	90.1	Very high	124 Å²	124	102 Å²	102	58%	0.579	54%	0.54	S	S	*	.	S	Bend	trans	-56.9	-36.2	179.7	-80.7	-61	148.6	0	0	113.6	L147 R234	E104-L147 HydrophobicContact CG-CD1 4.47Å; E104-R234 PolarHBondContact O-NH2 3Å; E104-R234 IonicContact OE2-CZ 2.72Å; E104-R234 IonicContact OE2-NH1 3.81Å; E104-R234 IonicContact OE2-NH2 3.19Å; E104-R234 PolarHBondContact OE2-NH2 3.22Å
105	T	96.6	Very high	92.1	Very high	108 Å²	108	93.9 Å²	93.9	66%	0.663	50%	0.502	S	S	*	.	S	Bend	trans	-115.3	119.6	169.2	-58	0	0	0	0	107.7	P103 L109	P103-T105 PolarHBondContact O-N 2.96Å; T105-L109 HydrophobicContact CG2-CD1 4.09Å
106	S	98.3	Very high	94	Very high	11 Å²	11	90.8 Å²	90.8	8%	0.077	48%	0.478	C	S	.	.			trans	-61.8	134.1	177.8	168.7	0	0	0	0	110.7	L108 L109 R176 Q178	S106-L108 PolarHBondContact O-N 2.98Å; S106-L108 WeakPolarHBondContact OG-CB 3.24Å; S106-L108 PolarHBondContact OG-N 3.1Å; S106-L109 WeakPolarHBondContact O-CG 3.38Å; S106-R176 WeakPolarHBondContact CB-O 3.47Å; S106-R176 PolarHBondContact OG-O 2.91Å; S106-Q178 PolarHBondContact OG-OE1 2.67Å
107	P	98	Very high	95.5	Very high	102 Å²	102	86.4 Å²	86.4	66%	0.662	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-5.4	174.1	33.6	-36.1	0	0	0	112.5
108	L	98.4	Very high	96.4	Very high	90 Å²	90	83.3 Å²	83.3	47%	0.471	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-6.5	-176.2	-50.6	177.3	0	0	0	113.2	S106 R176 Q178	S106-L108 PolarHBondContact O-N 2.98Å; S106-L108 WeakPolarHBondContact OG-CB 3.24Å; S106-L108 PolarHBondContact OG-N 3.1Å; L108-R176 HydrophobicContact CB-CB 4.16Å; L108-R176 HydrophobicContact CB-CG 4.31Å; L108-R176 VanDerWaalsContact O-CD 3.3Å; L108-R176 WeakPolarHBondContact O-CD 3.3Å; L108-Q178 HydrophobicContact CD1-CG 3.89Å
109	L	98.6	Very high	96.7	Very high	38 Å²	38	83 Å²	83	20%	0.199	43%	0.43	C	S	.	.			trans	-66.2	138.9	-177.2	-58.9	179	0	0	0	111	T105 S106 R176 Q177 D229 R230	T105-L109 HydrophobicContact CG2-CD1 4.09Å; S106-L109 WeakPolarHBondContact O-CG 3.38Å; L109-R176 HydrophobicContact CD2-CB 4.44Å; L109-Q177 HydrophobicContact CD2-CG 3.82Å; L109-D229 HydrophobicContact CD2-CB 4.33Å; L109-D229 WeakPolarHBondContact CD2-O 3.24Å; L109-R230 HydrophobicContact CD1-CG 4.33Å
110	V	98.5	Very high	96.8	Very high	98 Å²	98	83.8 Å²	83.8	59%	0.594	44%	0.441	S	S	*	.			trans	-107.4	-9.1	179.4	-58	0	0	0	0	113.4	L113 D229	V110-L113 HydrophobicContact CG2-CD2 3.61Å; V110-D229 VanDerWaalsContact CG2-OD2 3.29Å; V110-D229 WeakPolarHBondContact CG2-OD2 3.35Å; V110-D229 PolarHBondContact N-OD1 3.23Å; V110-D229 VanDerWaalsContact N-OD1 3.09Å; V110-D229 PolarHBondContact N-OD2 2.89Å
111	G	98.3	Very high	96.7	Very high	6 Å²	6	76.9 Å²	76.9	6%	0.062	41%	0.41	C	S	.	.			trans	82.5	-135.4	-179.6	0	0	0	0	0	112.8	D228 D229	G111-D228 WeakPolarHBondContact CA-OD1 3.3Å; G111-D228 WeakPolarHBondContact O-CA 3.32Å; G111-D229 WeakPolarHBondContact CA-OD1 3.48Å; G111-D229 PolarHBondContact N-OD1 3.3Å; G111-D229 PolarHBondContact O-N 3.42Å; G111-D229 VanDerWaalsContact O-N 3.13Å
112	P	98.4	Very high	96.7	Very high	96 Å²	96	71.2 Å²	71.2	62%	0.623	39%	0.391	S	S	*	.	B	Isolated β-bridge	trans	-58.4	137.7	-175.3	-25.5	34.6	0	0	0	113.9	M227	P112-M227 CarbonylContact C-O 3.52Å; P112-M227 WeakPolarHBondContact CA-O 3.48Å
113	L	97.9	Very high	96.7	Very high	37 Å²	37	73.8 Å²	73.8	19%	0.194	40%	0.404	C	S	.	.			trans	-117.5	140.6	-177.9	-55	176.5	0	0	0	110.9	V110 V115 V173 M227 D229	V110-L113 HydrophobicContact CG2-CD2 3.61Å; L113-V115 HydrophobicContact CB-CG2 4.43Å; L113-V115 PolarHBondContact O-N 3.33Å; L113-V173 HydrophobicContact CD1-CG2 3.58Å; L113-M227 PolarHBondContact N-O 3.27Å; L113-D229 HydrophobicContact CD1-CB 4.34Å
114	R	97.3	Very high	96.7	Very high	199 Å²	199	76.2 Å²	76.2	75%	0.751	41%	0.41	S	S	*	.			trans	-84.2	111.2	169.2	-175.4	174.8	179	-175.6	-6.3	109.3	E116	R114-E116 HydrophobicContact CG-CG 4.24Å; R114-E116 IonicContact CZ-OE1 3.3Å; R114-E116 IonicContact CZ-OE2 3.77Å; R114-E116 IonicContact NE-OE1 2.68Å; R114-E116 PolarHBondContact NE-OE1 2.96Å; R114-E116 IonicContact NE-OE2 3.85Å; R114-E116 IonicContact NH2-OE1 3.05Å; R114-E116 PolarHBondContact NH2-OE1 2.94Å; R114-E116 IonicContact NH2-OE2 3.28Å; R114-E116 PolarHBondContact NH2-OE2 2.03Å
115	V	97.5	Very high	96.8	Very high	2 Å²	2	73.5 Å²	73.5	1%	0.012	40%	0.397	C	S	.	.			trans	-108.1	118	-179.6	-179.8	0	0	0	0	109.9	L113 F117 Y169 I225 M227 R312	L113-V115 HydrophobicContact CB-CG2 4.43Å; L113-V115 PolarHBondContact O-N 3.33Å; V115-F117 HydrophobicContact CG1-CE1 3.56Å; V115-F117 HydrophobicContact CG1-CZ 3.56Å; V115-Y169 HydrophobicContact CB-CE1 4.44Å; V115-Y169 HydrophobicContact CG1-CD2 4.3Å; V115-Y169 HydrophobicContact CG1-CE1 4.33Å; V115-Y169 HydrophobicContact CG1-CE2 3.95Å; V115-Y169 HydrophobicContact CG2-CD1 4.41Å; V115-Y169 HydrophobicContact CG2-CE1 4.33Å; V115-I225 HydrophobicContact CG1-CB 3.91Å; V115-I225 HydrophobicContact CG1-CG1 4.41Å; V115-I225 HydrophobicContact CG1-CG2 3.71Å; V115-I225 HydrophobicContact CG2-CG2 3.92Å; V115-M227 HydrophobicContact CG2-CG 4.18Å; V115-R312 HydrophobicContact CB-CB 4.36Å; V115-R312 HydrophobicContact CG1-CB 4.05Å; V115-R312 WeakPolarHBondContact O-CD 3.29Å; V115-R312 PolarHBondContact O-NH1 3.31Å
116	E	96.1	Very high	96.9	Very high	53 Å²	53	68.4 Å²	68.4	25%	0.248	37%	0.366	C	S	.	.			trans	-134.3	153.1	178.6	-59.7	-172.1	163.5	0	0	111.9	R114 Y169	R114-E116 HydrophobicContact CG-CG 4.24Å; R114-E116 IonicContact CZ-OE1 3.3Å; R114-E116 IonicContact CZ-OE2 3.77Å; R114-E116 IonicContact NE-OE1 2.68Å; R114-E116 PolarHBondContact NE-OE1 2.96Å; R114-E116 IonicContact NE-OE2 3.85Å; R114-E116 IonicContact NH2-OE1 3.05Å; R114-E116 PolarHBondContact NH2-OE1 2.94Å; R114-E116 IonicContact NH2-OE2 3.28Å; R114-E116 PolarHBondContact NH2-OE2 2.03Å; E116-Y169 PolarHBondContact N-OH 3.15Å; E116-Y169 PolarHBondContact O-OH 3.29Å
117	F	96.1	Very high	96.9	Very high	48 Å²	48	72.5 Å²	72.5	21%	0.211	38%	0.382	C	S	.	.			trans	-125.5	13.5	-174.1	-48.9	-54.3	0	0	0	113.2	V115 F165 Y169 I225 R312 M313 I314	V115-F117 HydrophobicContact CG1-CE1 3.56Å; V115-F117 HydrophobicContact CG1-CZ 3.56Å; F117-F165 HydrophobicContact CB-CE1 4.41Å; F117-F165 HydrophobicContact CB-CE2 4.4Å; F117-F165 HydrophobicContact CB-CZ 4.21Å; F117-F165 HydrophobicContact CD1-CB 4.45Å; F117-F165 HydrophobicContact CD1-CD1 4.03Å; F117-F165 HydrophobicContact CD1-CE1 4.41Å; F117-F165 HydrophobicContact CD1-CG 4.1Å; F117-F165 WeakPolarHBondContact O-CZ 3.46Å; F117-Y169 HydrophobicContact CD1-CE2 4.31Å; F117-Y169 HydrophobicContact CE1-CE2 4.1Å; F117-I225 HydrophobicContact CE1-CG1 3.88Å; F117-I225 HydrophobicContact CZ-CG1 4.07Å; F117-R312 HydrophobicContact CE2-CB 4.33Å; F117-R312 HydrophobicContact CE2-CG 3.8Å; F117-R312 HydrophobicContact CZ-CB 4.13Å; F117-R312 HydrophobicContact CZ-CG 4.1Å; F117-M313 WeakPolarHBondContact CE2-O 3.5Å; F117-I314 HydrophobicContact CD1-CD1 4.41Å; F117-I314 HydrophobicContact CD1-CG1 3.86Å; F117-I314 HydrophobicContact CD2-CG1 4.28Å; F117-I314 HydrophobicContact CE1-CD1 4.22Å; F117-I314 HydrophobicContact CE1-CG1 3.56Å; F117-I314 HydrophobicContact CE2-CB 4.43Å; F117-I314 HydrophobicContact CE2-CG1 3.97Å; F117-I314 HydrophobicContact CG-CG1 4.22Å; F117-I314 HydrophobicContact CZ-CG1 3.6Å
118	N	93.6	Very high	96.9	Very high	119 Å²	119	75.7 Å²	75.7	64%	0.636	38%	0.381	S	S	*	.	S	Bend	trans	-90.2	-11.8	-177.6	59.2	-18.4	0	0	0	113.4
119	I	92.4	Very high	96.9	Very high	112 Å²	112	75.4 Å²	75.4	57%	0.574	38%	0.38	S	S	*	.	S	Bend	trans	-105.3	119.6	179.8	-60.8	166.2	0	0	0	107.8	F165	I119-F165 WeakPolarHBondContact O-CE1 3.3Å; I119-F165 VanDerWaalsContact O-CZ 3.29Å; I119-F165 WeakPolarHBondContact O-CZ 3.49Å
120	P	92.9	Very high	96.9	Very high	116 Å²	116	74.2 Å²	74.2	75%	0.753	37%	0.374	S	S	*	.			trans	-59.1	143.8	175.1	-23.1	33.1	0	0	0	111.8
121	V	94.2	Very high	96.8	Very high	19 Å²	19	74.5 Å²	74.5	12%	0.115	38%	0.377	C	S	.	.			trans	-122.9	140.6	177.6	-170.4	0	0	0	0	109.8	I126 K164 F165 Y168	V121-I126 HydrophobicContact CG1-CD1 3.68Å; V121-I126 HydrophobicContact CG1-CG1 3.63Å; V121-K164 WeakPolarHBondContact O-CD 3.21Å; V121-F165 HydrophobicContact CG2-CD1 3.93Å; V121-F165 HydrophobicContact CG2-CE1 3.76Å; V121-Y168 HydrophobicContact CG1-CD2 3.7Å; V121-Y168 HydrophobicContact CG1-CE2 4.5Å; V121-Y168 HydrophobicContact CG1-CG 3.95Å; V121-Y168 HydrophobicContact CG2-CD1 4.33Å; V121-Y168 HydrophobicContact CG2-CD2 4.31Å; V121-Y168 HydrophobicContact CG2-CG 4.08Å
122	S	97.3	Very high	96.8	Very high	45 Å²	45	77.6 Å²	77.6	32%	0.315	39%	0.393	S	S	.	.			trans	-110.5	152.3	173.8	100.8	0	0	0	0	111.4	E124 Q125 I126	S122-E124 VanDerWaalsContact C-N 3.27Å; S122-E124 WeakPolarHBondContact CB-OE2 3.48Å; S122-E124 PolarHBondContact O-N 3.1Å; S122-E124 PolarHBondContact OG-N 2.88Å; S122-E124 PolarHBondContact OG-OE2 3.11Å; S122-Q125 PolarHBondContact O-N 2.76Å; S122-Q125 PolarHBondContact OG-N 3.29Å; S122-I126 WeakPolarHBondContact O-CG1 3.4Å; S122-I126 PolarHBondContact O-N 2.88Å
123	L	97.9	Very high	96.8	Very high	60 Å²	60	74 Å²	74	31%	0.314	37%	0.368	S	S	.	.	H	α-helix	trans	-66.4	-32.6	179.2	-64.5	178.6	0	0	0	111.6	Q125 I126 K127 K164 L167 L359	L123-Q125 VanDerWaalsContact C-N 3.35Å; L123-I126 HydrophobicContact CD2-CD1 4.27Å; L123-I126 PolarHBondContact O-N 3.03Å; L123-K127 WeakPolarHBondContact O-CB 3.38Å; L123-K127 PolarHBondContact O-N 3.07Å; L123-K164 HydrophobicContact CD2-CG 3.97Å; L123-K164 HydrophobicContact CG-CG 4.33Å; L123-L167 HydrophobicContact CD2-CD1 3.81Å; L123-L359 HydrophobicContact CB-CD1 4.3Å; L123-L359 HydrophobicContact CD2-CD1 4.09Å
124	E	97.8	Very high	96.8	Very high	117 Å²	117	76.5 Å²	76.5	55%	0.547	38%	0.381	S	S	.	.	H	α-helix	trans	-64.2	-41.5	176.8	-55.8	70.5	-154.1	0	0	110.8	S122 K127 R128	S122-E124 VanDerWaalsContact C-N 3.27Å; S122-E124 WeakPolarHBondContact CB-OE2 3.48Å; S122-E124 PolarHBondContact O-N 3.1Å; S122-E124 PolarHBondContact OG-N 2.88Å; S122-E124 PolarHBondContact OG-OE2 3.11Å; E124-K127 PolarHBondContact O-N 2.89Å; E124-R128 WeakPolarHBondContact O-CG 3Å; E124-R128 PolarHBondContact O-N 2.81Å
125	Q	97.5	Very high	96.8	Very high	68 Å²	68	71.4 Å²	71.4	32%	0.318	37%	0.374	S	S	.	.	H	α-helix	trans	-62.8	-48.3	174.7	-177.9	58.4	29	0	0	110.9	S122 L123 K127 R128 D129	S122-Q125 PolarHBondContact O-N 2.76Å; S122-Q125 PolarHBondContact OG-N 3.29Å; L123-Q125 VanDerWaalsContact C-N 3.35Å; Q125-K127 VanDerWaalsContact C-N 3.29Å; Q125-K127 PolarHBondContact O-N 2.78Å; Q125-R128 PolarHBondContact O-N 2.81Å; Q125-D129 PolarHBondContact NE2-OD1 2.76Å; Q125-D129 PolarHBondContact NE2-OD2 3.24Å; Q125-D129 VanDerWaalsContact O-CG 3.29Å; Q125-D129 PolarHBondContact O-N 3.04Å
126	I	98.2	Very high	96.8	Very high	0 Å²	0	71.4 Å²	71.4	0%	0	37%	0.374	C	S	.	.	H	α-helix	trans	-59.7	-42.4	179.4	-60.4	162.7	0	0	0	110.7	V121 S122 L123 D129 N130 K164 L167 Y168 L359	V121-I126 HydrophobicContact CG1-CD1 3.68Å; V121-I126 HydrophobicContact CG1-CG1 3.63Å; S122-I126 WeakPolarHBondContact O-CG1 3.4Å; S122-I126 PolarHBondContact O-N 2.88Å; L123-I126 HydrophobicContact CD2-CD1 4.27Å; L123-I126 PolarHBondContact O-N 3.03Å; I126-D129 PolarHBondContact O-N 3Å; I126-N130 WeakPolarHBondContact O-CB 3.34Å; I126-N130 PolarHBondContact O-N 3.28Å; I126-N130 VanDerWaalsContact O-N 3.1Å; I126-N130 PolarHBondContact O-ND2 3.28Å; I126-K164 WeakPolarHBondContact CD1-O 3.02Å; I126-L167 HydrophobicContact CD1-CB 4.09Å; I126-Y168 HydrophobicContact CG1-CD2 4.15Å; I126-L359 HydrophobicContact CB-CD1 3.68Å; I126-L359 HydrophobicContact CG2-CD1 3.58Å; I126-L359 HydrophobicContact CG2-CD2 3.94Å; I126-L359 HydrophobicContact CG2-CG 4.39Å
127	K	98	Very high	96.9	Very high	98 Å²	98	68.9 Å²	68.9	43%	0.426	36%	0.362	S	S	.	.	H	α-helix	trans	-61.6	-45.8	176.3	-175.6	-178	-174.8	173.3	0	112	L123 E124 Q125 D129 N130 D358 L359	L123-K127 WeakPolarHBondContact O-CB 3.38Å; L123-K127 PolarHBondContact O-N 3.07Å; E124-K127 PolarHBondContact O-N 2.89Å; Q125-K127 VanDerWaalsContact C-N 3.29Å; Q125-K127 PolarHBondContact O-N 2.78Å; K127-D129 VanDerWaalsContact C-N 3.33Å; K127-D129 PolarHBondContact O-N 3.15Å; K127-N130 CarbonylContact O-C 3.52Å; K127-N130 PolarHBondContact O-N 2.83Å; K127-D358 HydrophobicContact CD-CB 3.97Å; K127-D358 WeakPolarHBondContact CD-OD2 3.41Å; K127-D358 VanDerWaalsContact CE-CG 3.42Å; K127-D358 WeakPolarHBondContact CE-OD1 3.29Å; K127-D358 WeakPolarHBondContact CE-OD2 3.49Å; K127-D358 HydrophobicContact CG-CB 4.46Å; K127-D358 IonicContact NZ-OD1 3.43Å; K127-D358 PolarHBondContact NZ-OD1 3.31Å; K127-D358 IonicContact NZ-OD2 2.82Å; K127-D358 PolarHBondContact NZ-OD2 2.85Å; K127-L359 HydrophobicContact CB-CD2 4.44Å
128	R	98.1	Very high	97	Very high	168 Å²	168	68.9 Å²	68.9	63%	0.634	36%	0.361	S	S	*	.	H	α-helix	trans	-61.3	-41.5	177.4	-75.9	-169.7	-60.7	-125.4	3	112.2	E124 Q125 N130	E124-R128 WeakPolarHBondContact O-CG 3Å; E124-R128 PolarHBondContact O-N 2.81Å; Q125-R128 PolarHBondContact O-N 2.81Å; R128-N130 PolarHBondContact O-N 3.1Å
129	D	98.1	Very high	97.3	Very high	85 Å²	85	64.3 Å²	64.3	46%	0.455	34%	0.335	S	S	.	.	H	α-helix	trans	-74.8	-16.1	-178.4	-65.6	-15.5	0	0	0	112.9	Q125 I126 K127 P131	Q125-D129 PolarHBondContact NE2-OD1 2.76Å; Q125-D129 PolarHBondContact NE2-OD2 3.24Å; Q125-D129 VanDerWaalsContact O-CG 3.29Å; Q125-D129 PolarHBondContact O-N 3.04Å; I126-D129 PolarHBondContact O-N 3Å; K127-D129 VanDerWaalsContact C-N 3.33Å; K127-D129 PolarHBondContact O-N 3.15Å; D129-P131 VanDerWaalsContact C-CD 3.46Å; D129-P131 WeakPolarHBondContact O-CD 3.05Å
130	N	98.3	Very high	97.5	Very high	12 Å²	12	66.7 Å²	66.7	6%	0.064	34%	0.337	C	S	.	.			trans	-127.3	64.1	-177.4	-61.8	-89.8	0	0	0	111.8	I126 K127 R128 N132 I133 Q175	I126-N130 WeakPolarHBondContact O-CB 3.34Å; I126-N130 PolarHBondContact O-N 3.28Å; I126-N130 VanDerWaalsContact O-N 3.1Å; I126-N130 PolarHBondContact O-ND2 3.28Å; K127-N130 CarbonylContact O-C 3.52Å; K127-N130 PolarHBondContact O-N 2.83Å; R128-N130 PolarHBondContact O-N 3.1Å; N130-N132 PolarHBondContact O-N 3.3Å; N130-N132 VanDerWaalsContact O-N 3.1Å; N130-I133 HydrophobicContact CB-CD1 3.39Å; N130-I133 HydrophobicContact CB-CG1 3.92Å; N130-I133 PolarHBondContact O-N 3.18Å; N130-I133 VanDerWaalsContact O-N 3.16Å; N130-Q175 PolarHBondContact OD1-NE2 3.05Å
131	P	97.6	Very high	97.7	Very high	104 Å²	104	62 Å²	62	68%	0.675	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-14.1	-173.2	29.1	-37.1	0	0	0	114.2	D129 I133	D129-P131 VanDerWaalsContact C-CD 3.46Å; D129-P131 WeakPolarHBondContact O-CD 3.05Å; P131-I133 VanDerWaalsContact C-N 3.34Å
132	N	97	Very high	97.8	Very high	71 Å²	71	68 Å²	68	38%	0.38	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-5.9	178.7	-66.2	-52.8	0	0	0	113.4	N130 F139 K142	N130-N132 PolarHBondContact O-N 3.3Å; N130-N132 VanDerWaalsContact O-N 3.1Å; N132-F139 HydrophobicContact CB-CD2 4.16Å; N132-F139 HydrophobicContact CB-CE2 4.03Å; N132-K142 PolarHBondContact OD1-NZ 3.38Å
133	I	98.3	Very high	97.7	Very high	20 Å²	20	72.7 Å²	72.7	10%	0.103	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-75.6	127.3	174.7	-63.5	173.8	0	0	0	109	N130 P131 H171 L359	N130-I133 HydrophobicContact CB-CD1 3.39Å; N130-I133 HydrophobicContact CB-CG1 3.92Å; N130-I133 PolarHBondContact O-N 3.18Å; N130-I133 VanDerWaalsContact O-N 3.16Å; P131-I133 VanDerWaalsContact C-N 3.34Å; I133-H171 HydrophobicContact CD1-CB 3.71Å; I133-H171 VanDerWaalsContact CD1-ND1 3.34Å; I133-H171 WeakPolarHBondContact CD1-ND1 3.42Å; I133-L359 HydrophobicContact CD1-CD2 3.9Å; I133-L359 HydrophobicContact CG2-CD2 4.39Å
134	L	97.8	Very high	97.7	Very high	91 Å²	91	70.5 Å²	70.5	48%	0.476	34%	0.342	S	S	.	.	B	Isolated β-bridge	trans	-87.8	156.4	175.6	-56.3	175.9	0	0	0	110.3	G136 G137 R138	L134-G136 PolarHBondContact O-N 3.04Å; L134-G137 PolarHBondContact O-N 3.1Å; L134-G137 VanDerWaalsContact O-N 3.13Å; L134-R138 HydrophobicContact CB-CB 4.1Å; L134-R138 WeakPolarHBondContact CB-O 3.36Å; L134-R138 PolarHBondContact N-O 2.93Å; L134-R138 PolarHBondContact O-N 3.37Å
135	P	97.6	Very high	97.7	Very high	92 Å²	92	68.6 Å²	68.6	60%	0.597	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.6	142.2	175.8	-28.3	35.3	0	0	0	113.1
136	G	97.9	Very high	97.8	Very high	1 Å²	1	66.3 Å²	66.3	1%	0.01	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.5	8	-170.9	0	0	0	0	0	114.1	L134 L357 F360 T361	L134-G136 PolarHBondContact O-N 3.04Å; G136-L357 VanDerWaalsContact CA-O 3.24Å; G136-L357 WeakPolarHBondContact CA-O 3.37Å; G136-L357 PolarHBondContact N-O 3.16Å; G136-F360 VanDerWaalsContact C-C 3.47Å; G136-F360 CarbonylContact O-C 3.56Å; G136-F360 WeakPolarHBondContact O-CA 3.35Å; G136-T361 VanDerWaalsContact CA-OG1 3.26Å; G136-T361 WeakPolarHBondContact CA-OG1 3.47Å; G136-T361 PolarHBondContact O-N 2.92Å; G136-T361 PolarHBondContact O-OG1 2.91Å
137	G	98.4	Very high	97.7	Very high	0 Å²	0	69 Å²	69	0%	0	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.2	35.1	-176.7	0	0	0	0	0	113.3	L134 V183 D358 L359	L134-G137 PolarHBondContact O-N 3.1Å; L134-G137 VanDerWaalsContact O-N 3.13Å; G137-V183 PolarHBondContact O-N 2.85Å; G137-D358 PolarHBondContact N-O 3.32Å; G137-L359 WeakPolarHBondContact CA-O 3.22Å
138	R	98.6	Very high	97.6	Very high	48 Å²	48	66.2 Å²	66.2	18%	0.181	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	141.9	-177.4	-67.3	-61.9	-58.3	-93.8	2.5	110.7	L134 D180 Y181 Y212 Y214	L134-R138 HydrophobicContact CB-CB 4.1Å; L134-R138 WeakPolarHBondContact CB-O 3.36Å; L134-R138 PolarHBondContact N-O 2.93Å; L134-R138 PolarHBondContact O-N 3.37Å; R138-D180 IonicContact NH2-OD1 3.36Å; R138-D180 PolarHBondContact NH2-OD1 3.22Å; R138-Y181 WeakPolarHBondContact CA-O 3.31Å; R138-Y181 PolarHBondContact NE-O 3.39Å; R138-Y212 VanDerWaalsContact NH2-CE1 3.33Å; R138-Y214 WeakPolarHBondContact CD-OH 3.36Å; R138-Y214 PolarHBondContact NE-OH 3.45Å; R138-Y214 PolarHBondContact NH1-OH 3.5Å
139	F	98.6	Very high	97.6	Very high	23 Å²	23	60.6 Å²	60.6	10%	0.101	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	147.4	172.2	169.2	-91	0	0	0	110	N132 P141 Q175 L179 D180 Y181	N132-F139 HydrophobicContact CB-CD2 4.16Å; N132-F139 HydrophobicContact CB-CE2 4.03Å; F139-P141 HydrophobicContact CE1-CG 4.26Å; F139-Q175 HydrophobicContact CD1-CG 3.88Å; F139-Q175 HydrophobicContact CD2-CG 3.72Å; F139-Q175 HydrophobicContact CE1-CB 4.13Å; F139-Q175 HydrophobicContact CE1-CG 3.89Å; F139-Q175 HydrophobicContact CE2-CB 4.38Å; F139-Q175 HydrophobicContact CE2-CG 3.72Å; F139-Q175 HydrophobicContact CG-CG 3.79Å; F139-Q175 HydrophobicContact CZ-CB 4.04Å; F139-Q175 HydrophobicContact CZ-CG 3.8Å; F139-L179 VanDerWaalsContact CD1-O 3.32Å; F139-L179 WeakPolarHBondContact CD1-O 3.17Å; F139-D180 CarbonylContact O-C 3.34Å; F139-D180 WeakPolarHBondContact O-CA 3.31Å; F139-Y181 HydrophobicContact CB-CD1 4Å; F139-Y181 HydrophobicContact CB-CE1 3.47Å; F139-Y181 VanDerWaalsContact CB-CE1 3.47Å; F139-Y181 HydrophobicContact CB-CE2 4.49Å; F139-Y181 AromaticContact CD1-CD1 3.88Å; F139-Y181 HydrophobicContact CD1-CD1 3.88Å; F139-Y181 AromaticContact CD1-CE1 3.5Å; F139-Y181 HydrophobicContact CD1-CE1 3.5Å; F139-Y181 HydrophobicContact CG-CD1 4.41Å; F139-Y181 AromaticContact CG-CE1 3.79Å; F139-Y181 HydrophobicContact CG-CE1 3.79Å; F139-Y181 PolarHBondContact N-O 3.37Å; F139-Y181 VanDerWaalsContact N-O 3.07Å; F139-Y181 PolarHBondContact O-N 2.96Å
140	R	97.8	Very high	97.7	Very high	162 Å²	162	56.5 Å²	56.5	61%	0.611	29%	0.292	S	S	*	.			trans	-145	145.4	167.3	62.7	-177.3	178	-177.7	0.1	109.3	D180	R140-D180 HydrophobicContact CB-CB 4.16Å
141	P	97.6	Very high	97.7	Very high	17 Å²	17	56 Å²	56	11%	0.11	29%	0.289	C	S	.	.			trans	-60.2	145.2	175	-20	32.9	0	0	0	111.2	F139 A146 Q178	F139-P141 HydrophobicContact CE1-CG 4.26Å; P141-A146 HydrophobicContact CG-CB 4.43Å; P141-Q178 HydrophobicContact CG-CB 3.89Å; P141-Q178 WeakPolarHBondContact CG-O 3.44Å
142	K	95.7	Very high	97.8	Very high	145 Å²	145	51 Å²	51	63%	0.63	26%	0.257	S	S	*	.	S	Bend	trans	-87.7	-31.4	178.7	-65.3	179.8	-176.2	169.3	0	112.5	L99 N132	L99-K142 WeakPolarHBondContact CD1-O 3.29Å; N132-K142 PolarHBondContact OD1-NZ 3.38Å
143	D	95.9	Very high	97.9	Very high	144 Å²	144	47.6 Å²	47.6	77%	0.77	24%	0.239	S	C	*	.	S	Bend	trans	-97.3	-4.9	-169.3	-47.5	-50.8	0	0	0	113.4
144	C	97.6	Very high	97.9	Very high	14 Å²	14	46.7 Å²	46.7	10%	0.095	23%	0.234	C	C	.	.	S	Bend	trans	-156.1	160.2	178.2	60.9	0	0	0	0	111.7	Q100 C102 Q178	Q100-C144 CarbonylContact O-C 3.56Å; Q100-C144 VanDerWaalsContact O-CA 3.25Å; Q100-C144 WeakPolarHBondContact O-CA 3.49Å; Q100-C144 WeakPolarHBondContact O-CB 3.38Å; C102-C144 WeakPolarHBondContact CA-SG 3.37Å; C102-C144 HydrophobicContact CB-CB 3.96Å; C102-C144 WeakPolarHBondContact CB-SG 3.32Å; C102-C144 VanDerWaalsContact SG-C 3.59Å; C102-C144 WeakPolarHBondContact SG-CB 3.16Å; C102-C144 CovalentContact SG-SG 2.04Å; C102-C144 PolarHBondContact SG-SG 3.19Å; C144-Q178 PolarHBondContact SG-NE2 3.25Å
145	V	98	Very high	97.9	Very high	77 Å²	77	42.7 Å²	42.7	47%	0.467	21%	0.214	S	C	.	.	B	Isolated β-bridge	trans	-85.3	118.7	173.2	-176.5	0	0	0	0	109.1	L99 Q100 K101 C102	L99-V145 HydrophobicContact CB-CG2 3.87Å; Q100-V145 PolarHBondContact O-N 3.15Å; K101-V145 CarbonylContact C-O 3.54Å; K101-V145 WeakPolarHBondContact CA-O 3.27Å; C102-V145 PolarHBondContact N-O 2.83Å; C102-V145 PolarHBondContact SG-O 3.14Å; C102-V145 VanDerWaalsContact SG-O 3.38Å
146	A	97.8	Very high	97.9	Very high	21 Å²	21	38.4 Å²	38.4	17%	0.174	19%	0.186	C	C	.	.			trans	-56.8	145	178.6	0	0	0	0	0	111.8	P141 Q148 Q178 D180	P141-A146 HydrophobicContact CG-CB 4.43Å; A146-Q148 VanDerWaalsContact C-N 3.31Å; A146-Q148 PolarHBondContact O-N 2.84Å; A146-Q178 WeakPolarHBondContact CB-O 3.29Å; A146-D180 HydrophobicContact CB-CB 3.79Å; A146-D180 VanDerWaalsContact CB-N 3.29Å
147	L	97.1	Very high	97.8	Very high	55 Å²	55	39.9 Å²	39.9	29%	0.288	19%	0.191	S	C	.	.	S	Bend	trans	-71	-27.1	-178.3	-66	175.9	0	0	0	113.3	K101 C102 E104	K101-L147 HydrophobicContact CB-CD2 4.01Å; K101-L147 HydrophobicContact CD-CD2 4.16Å; C102-L147 WeakPolarHBondContact O-CD2 3.4Å; E104-L147 HydrophobicContact CG-CD1 4.47Å
148	Q	96.1	Very high	97.6	Very high	40 Å²	40	46.3 Å²	46.3	19%	0.187	22%	0.219	C	C	.	.			trans	-145.4	149.3	-177.9	-68.5	-174.8	-50.3	0	0	110.7	A146 V150 R234 C235	A146-Q148 VanDerWaalsContact C-N 3.31Å; A146-Q148 PolarHBondContact O-N 2.84Å; Q148-V150 HydrophobicContact CB-CG2 4.31Å; Q148-R234 VanDerWaalsContact OE1-CB 3.25Å; Q148-C235 PolarHBondContact NE2-O 3.27Å; Q148-C235 PolarHBondContact OE1-O 2.6Å; Q148-C235 VanDerWaalsContact OE1-O 3.11Å
149	K	98.6	Very high	97.4	Very high	50 Å²	50	45.5 Å²	45.5	22%	0.217	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	108.8	174.3	-64.8	172.4	-76	171	0	108.1	D180 Y212 D213 Y214 D215 C216	K149-D180 CarbonylContact C-O 3.58Å; K149-D180 WeakPolarHBondContact CA-O 3.45Å; K149-D180 HydrophobicContact CG-CB 4.42Å; K149-Y212 HydrophobicContact CB-CD1 4.47Å; K149-Y212 HydrophobicContact CB-CE1 4.13Å; K149-Y212 HydrophobicContact CD-CD1 4.27Å; K149-Y212 HydrophobicContact CD-CE1 3.49Å; K149-Y212 VanDerWaalsContact CD-CE1 3.49Å; K149-Y212 HydrophobicContact CG-CE1 3.77Å; K149-D213 WeakPolarHBondContact CD-O 3.49Å; K149-D213 WeakPolarHBondContact CE-O 3.27Å; K149-D213 PolarHBondContact NZ-O 3.37Å; K149-D213 IonicContact NZ-OD2 2.64Å; K149-D213 PolarHBondContact NZ-OD2 2.88Å; K149-Y214 HydrophobicContact CB-CD1 4.12Å; K149-D215 PolarHBondContact N-OD1 2.92Å; K149-D215 PolarHBondContact O-N 3.17Å; K149-D215 VanDerWaalsContact O-N 3.1Å; K149-C216 PolarHBondContact O-N 2.65Å; K149-C216 VanDerWaalsContact O-N 3.11Å
150	V	98.9	Very high	97.3	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	119.6	-168.9	-172.7	0	0	0	0	112.6	Q148 V152 L179 D180 Y181 G182 Y214 C216 V218	Q148-V150 HydrophobicContact CB-CG2 4.31Å; V150-V152 HydrophobicContact CG1-CG2 4.15Å; V150-L179 HydrophobicContact CG2-CD1 4.42Å; V150-L179 HydrophobicContact CG2-CD2 4.27Å; V150-D180 PolarHBondContact N-O 2.74Å; V150-Y181 CarbonylContact O-C 3.5Å; V150-Y181 WeakPolarHBondContact O-CA 3.11Å; V150-Y181 WeakPolarHBondContact O-CB 3.49Å; V150-G182 PolarHBondContact O-N 2.8Å; V150-Y214 WeakPolarHBondContact O-CE1 3.34Å; V150-C216 CarbonylContact C-O 3.55Å; V150-C216 WeakPolarHBondContact CA-O 3.31Å; V150-C216 HydrophobicContact CG2-CB 4.09Å; V150-V218 HydrophobicContact CG1-CB 4.37Å; V150-V218 HydrophobicContact CG1-CG2 3.58Å
151	A	98.9	Very high	97.3	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	117.9	164	0	0	0	0	0	109.7	Y184 A208 Y214 C216 F217 V218	A151-Y184 HydrophobicContact CB-CD2 4.24Å; A151-Y184 HydrophobicContact CB-CE2 4.2Å; A151-A208 HydrophobicContact CB-CB 3.77Å; A151-Y214 HydrophobicContact CB-CD1 3.99Å; A151-Y214 HydrophobicContact CB-CD2 3.79Å; A151-Y214 HydrophobicContact CB-CE1 4.31Å; A151-Y214 HydrophobicContact CB-CE2 4.09Å; A151-Y214 HydrophobicContact CB-CG 3.72Å; A151-C216 PolarHBondContact N-O 3.01Å; A151-F217 HydrophobicContact CB-CD1 3.8Å; A151-F217 HydrophobicContact CB-CE1 4.06Å; A151-F217 WeakPolarHBondContact O-CA 3.36Å; A151-V218 PolarHBondContact O-N 2.91Å
152	V	98.9	Very high	97.3	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	112.4	172.2	-172.2	0	0	0	0	108.9	V150 I154 W166 L174 G182 Y184 V218	V150-V152 HydrophobicContact CG1-CG2 4.15Å; V152-I154 HydrophobicContact CG1-CG1 4.49Å; V152-W166 HydrophobicContact CB-CH2 4.39Å; V152-W166 HydrophobicContact CG1-CH2 3.6Å; V152-W166 HydrophobicContact CG1-CZ2 3.59Å; V152-L174 HydrophobicContact CG2-CD1 4.25Å; V152-G182 PolarHBondContact N-O 2.76Å; V152-Y184 PolarHBondContact O-N 2.84Å; V152-V218 CarbonylContact C-O 3.54Å; V152-V218 WeakPolarHBondContact CA-O 3.38Å; V152-V218 HydrophobicContact CG1-CB 4.39Å; V152-V218 HydrophobicContact CG1-CG1 4.33Å; V152-V218 HydrophobicContact CG2-CB 4.3Å
153	I	98.9	Very high	97.4	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	123.2	-173.4	-63.3	161.7	0	0	0	109.2	I186 L201 G204 F217 V218 F219 S220	I153-I186 HydrophobicContact CG2-CG1 3.87Å; I153-L201 HydrophobicContact CG2-CD2 3.88Å; I153-G204 VanDerWaalsContact CD1-C 3.45Å; I153-F217 HydrophobicContact CD1-CB 4.44Å; I153-F217 HydrophobicContact CD1-CD1 3.85Å; I153-V218 PolarHBondContact N-O 3.09Å; I153-F219 HydrophobicContact CB-CD1 4.12Å; I153-F219 HydrophobicContact CD1-CD1 4.04Å; I153-F219 HydrophobicContact CD1-CE1 3.63Å; I153-F219 HydrophobicContact CG2-CD1 4.36Å; I153-S220 PolarHBondContact O-N 3.1Å
154	I	98.9	Very high	97.6	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	111.7	-177.1	-56.1	173.1	0	0	0	108.6	V152 L163 W166 V183 Y184 V185 I186 V222	V152-I154 HydrophobicContact CG1-CG1 4.49Å; I154-L163 HydrophobicContact CD1-CD1 4.31Å; I154-W166 HydrophobicContact CD1-CD2 3.66Å; I154-W166 HydrophobicContact CD1-CE3 3.68Å; I154-W166 HydrophobicContact CD1-CG 4.4Å; I154-W166 HydrophobicContact CD1-CH2 3.81Å; I154-W166 HydrophobicContact CD1-CZ2 3.73Å; I154-W166 HydrophobicContact CD1-CZ3 3.78Å; I154-W166 HydrophobicContact CG1-CZ2 4.31Å; I154-V183 HydrophobicContact CD1-CG1 3.95Å; I154-Y184 PolarHBondContact N-O 2.85Å; I154-V185 HydrophobicContact CB-CG2 4.5Å; I154-V185 HydrophobicContact CD1-CG2 4.35Å; I154-I186 PolarHBondContact O-N 2.8Å; I154-V222 HydrophobicContact CG2-CB 3.64Å; I154-V222 HydrophobicContact CG2-CG2 3.99Å
155	P	98.4	Very high	97.6	Very high	7 Å²	7	35.1 Å²	35.1	5%	0.045	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	131.8	173.6	32.6	-29.6	0	0	0	108.5	F195 R197 L200 L201 S220	P155-F195 HydrophobicContact CB-CZ 4.14Å; P155-R197 HydrophobicContact CB-CG 4.23Å; P155-R197 HydrophobicContact CG-CG 3.89Å; P155-L200 HydrophobicContact CB-CB 3.97Å; P155-L200 HydrophobicContact CB-CD1 4.12Å; P155-L201 HydrophobicContact CB-CD2 3.98Å; P155-L201 HydrophobicContact CB-CG 4.44Å; P155-L201 HydrophobicContact CG-CD2 3.66Å; P155-L201 HydrophobicContact CG-CG 4.34Å; P155-S220 VanDerWaalsContact CD-O 3.27Å; P155-S220 WeakPolarHBondContact CD-O 3.3Å
156	F	97.9	Very high	97.7	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.009	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	142.8	-164.3	-173.1	-89.8	0	0	0	113.5	R159 L163 V185 I186 N187 Q188 V222	F156-R159 HydrophobicContact CD2-CB 4.06Å; F156-R159 VanDerWaalsContact CE2-C 3.41Å; F156-R159 HydrophobicContact CE2-CB 3.54Å; F156-R159 WeakPolarHBondContact CE2-O 3.15Å; F156-R159 VanDerWaalsContact CZ-C 3.44Å; F156-R159 HydrophobicContact CZ-CB 4.08Å; F156-R159 VanDerWaalsContact CZ-N 3.3Å; F156-L163 HydrophobicContact CE2-CB 3.84Å; F156-L163 HydrophobicContact CE2-CD2 4.09Å; F156-L163 HydrophobicContact CZ-CD2 4.38Å; F156-V185 HydrophobicContact CB-CG1 3.49Å; F156-V185 VanDerWaalsContact CB-CG1 3.49Å; F156-V185 HydrophobicContact CD1-CG1 3.93Å; F156-V185 HydrophobicContact CD2-CG1 3.91Å; F156-V185 HydrophobicContact CG-CG1 3.5Å; F156-I186 PolarHBondContact N-O 3.38Å; F156-N187 HydrophobicContact CD1-CB 4.29Å; F156-N187 WeakPolarHBondContact CD1-OD1 3.22Å; F156-N187 WeakPolarHBondContact O-CA 3.44Å; F156-Q188 PolarHBondContact O-N 3.01Å; F156-V222 HydrophobicContact CD2-CG2 4.22Å; F156-V222 HydrophobicContact CE2-CG2 4.39Å
157	R	95.6	Very high	97.7	Very high	32 Å²	32	30.4 Å²	30.4	12%	0.121	14%	0.14	C	C	.	.	S	Bend	trans	-161.4	119.7	163.4	-175.5	166.4	67.9	178.2	8.4	110.1	R159 E193 F195 K321	R157-R159 WeakPolarHBondContact O-CG 3.33Å; R157-R159 PolarHBondContact O-N 3.28Å; R157-E193 PolarHBondContact NH1-O 2.81Å; R157-E193 PolarHBondContact NH2-O 3.1Å; R157-F195 HydrophobicContact CB-CD2 3.98Å; R157-F195 HydrophobicContact CB-CE2 3.79Å; R157-K321 PolarHBondContact NH2-O 2.86Å
158	K	93.4	Very high	97.8	Very high	136 Å²	136	32.1 Å²	32.1	59%	0.591	14%	0.144	S	C	*	.	S	Bend	trans	52.5	43.5	174.2	-57.3	-176.3	-178.1	-173	0	114.9	D190	K158-D190 WeakPolarHBondContact CE-OD1 3.37Å; K158-D190 IonicContact NZ-OD1 2.72Å
159	R	95.6	Very high	97.9	Very high	31 Å²	31	32 Å²	32	12%	0.117	14%	0.142	C	C	.	.			trans	-124	35.4	-179.7	-67.7	-55.8	-167.1	123.5	19.2	113.2	F156 R157 E161 H162 L163 V222 H316 D319	F156-R159 HydrophobicContact CD2-CB 4.06Å; F156-R159 VanDerWaalsContact CE2-C 3.41Å; F156-R159 HydrophobicContact CE2-CB 3.54Å; F156-R159 WeakPolarHBondContact CE2-O 3.15Å; F156-R159 VanDerWaalsContact CZ-C 3.44Å; F156-R159 HydrophobicContact CZ-CB 4.08Å; F156-R159 VanDerWaalsContact CZ-N 3.3Å; R157-R159 WeakPolarHBondContact O-CG 3.33Å; R157-R159 PolarHBondContact O-N 3.28Å; R159-E161 VanDerWaalsContact C-N 3.3Å; R159-E161 PolarHBondContact O-N 3.4Å; R159-H162 HydrophobicContact CB-CB 4.21Å; R159-H162 PolarHBondContact NH1-CE1 3.47Å; R159-H162 PolarHBondContact NH1-ND1 3.48Å; R159-H162 PolarHBondContact NH1-NE2 3.02Å; R159-H162 WeakPolarHBondContact O-CB 3.4Å; R159-H162 PolarHBondContact O-N 2.88Å; R159-L163 PolarHBondContact O-N 2.85Å; R159-V222 HydrophobicContact CB-CG1 3.95Å; R159-V222 HydrophobicContact CG-CG1 4.24Å; R159-H316 PolarHBondContact NH1-CD2 3.01Å; R159-H316 VanDerWaalsContact NH1-CD2 3.29Å; R159-H316 PolarHBondContact NH1-ND1 3.33Å; R159-H316 PolarHBondContact NH2-CD2 2.87Å; R159-H316 PolarHBondContact NH2-CE1 2.83Å; R159-H316 VanDerWaalsContact NH2-CG 3.28Å; R159-H316 PolarHBondContact NH2-ND1 2.77Å; R159-H316 PolarHBondContact NH2-NE2 2.84Å; R159-D319 IonicContact CZ-OD1 2.71Å; R159-D319 VanDerWaalsContact CZ-OD1 3.3Å; R159-D319 IonicContact CZ-OD2 3.47Å; R159-D319 IonicContact NE-OD1 3.99Å; R159-D319 PolarHBondContact NE-OD1 3.4Å; R159-D319 IonicContact NE-OD2 3.63Å; R159-D319 PolarHBondContact NE-OD2 3.46Å; R159-D319 IonicContact NH2-OD1 2.67Å; R159-D319 PolarHBondContact NH2-OD1 3.31Å; R159-D319 IonicContact NH2-OD2 3.08Å; R159-D319 PolarHBondContact NH2-OD2 3.05Å
160	D	96.4	Very high	97.9	Very high	79 Å²	79	29.6 Å²	29.6	42%	0.422	13%	0.131	S	C	.	.	H	α-helix	trans	-59	-38.2	-170	-58	-91	0	0	0	112.9	H162 L163 K164	D160-H162 PolarHBondContact O-N 2.9Å; D160-L163 PolarHBondContact O-N 2.83Å; D160-K164 WeakPolarHBondContact O-CG 3.35Å; D160-K164 PolarHBondContact O-N 2.95Å
161	E	96.7	Very high	97.9	Very high	103 Å²	103	29.6 Å²	29.6	48%	0.481	13%	0.131	S	C	.	.	H	α-helix	trans	-65.2	-37.3	174.5	-64.4	-51	123.8	0	0	113	R159 K164 F165	R159-E161 VanDerWaalsContact C-N 3.3Å; R159-E161 PolarHBondContact O-N 3.4Å; E161-K164 PolarHBondContact O-N 2.87Å; E161-K164 IonicContact OE1-NZ 2.72Å; E161-K164 PolarHBondContact OE1-NZ 2.65Å; E161-K164 IonicContact OE2-NZ 3.73Å; E161-F165 VanDerWaalsContact O-CD2 3.31Å; E161-F165 WeakPolarHBondContact O-CD2 3.49Å; E161-F165 PolarHBondContact O-N 2.76Å
162	H	98.1	Very high	97.9	Very high	23 Å²	23	31.3 Å²	31.3	11%	0.106	14%	0.142	C	C	.	.	H	α-helix	trans	-68.3	-40.6	176	-67.6	-155	0	0	0	110.7	R159 D160 K164 F165 W166 V222 I314 H316	R159-H162 HydrophobicContact CB-CB 4.21Å; R159-H162 PolarHBondContact NH1-CE1 3.47Å; R159-H162 PolarHBondContact NH1-ND1 3.48Å; R159-H162 PolarHBondContact NH1-NE2 3.02Å; R159-H162 WeakPolarHBondContact O-CB 3.4Å; R159-H162 PolarHBondContact O-N 2.88Å; D160-H162 PolarHBondContact O-N 2.9Å; H162-K164 VanDerWaalsContact C-N 3.3Å; H162-K164 PolarHBondContact O-N 2.69Å; H162-F165 PolarHBondContact O-N 2.72Å; H162-W166 PolarHBondContact O-N 3.45Å; H162-V222 HydrophobicContact CB-CG1 4.13Å; H162-V222 HydrophobicContact CB-CG2 4.21Å; H162-I314 HydrophobicContact CB-CD1 4.02Å; H162-H316 AromaticContact CE1-CD2 3.74Å
163	L	98.6	Very high	97.9	Very high	7 Å²	7	31.4 Å²	31.4	4%	0.037	14%	0.143	C	C	.	.	H	α-helix	trans	-61.7	-38.6	177.7	179.6	62.2	0	0	0	111.5	I154 F156 R159 D160 F165 W166 L167 V185 V222 F360	I154-L163 HydrophobicContact CD1-CD1 4.31Å; F156-L163 HydrophobicContact CE2-CB 3.84Å; F156-L163 HydrophobicContact CE2-CD2 4.09Å; F156-L163 HydrophobicContact CZ-CD2 4.38Å; R159-L163 PolarHBondContact O-N 2.85Å; D160-L163 PolarHBondContact O-N 2.83Å; L163-F165 PolarHBondContact O-N 2.81Å; L163-W166 PolarHBondContact O-N 3.38Å; L163-L167 HydrophobicContact CD1-CD1 4.12Å; L163-L167 HydrophobicContact CD1-CD2 4.34Å; L163-L167 HydrophobicContact CD1-CG 3.97Å; L163-L167 HydrophobicContact CG-CD1 3.86Å; L163-L167 HydrophobicContact CG-CG 4.21Å; L163-L167 WeakPolarHBondContact O-CB 3.36Å; L163-L167 VanDerWaalsContact O-CG 3.24Å; L163-L167 WeakPolarHBondContact O-CG 3.17Å; L163-L167 PolarHBondContact O-N 3.43Å; L163-V185 HydrophobicContact CD1-CG2 3.76Å; L163-V185 HydrophobicContact CD2-CG1 4.25Å; L163-V185 HydrophobicContact CD2-CG2 3.99Å; L163-V222 HydrophobicContact CB-CG2 3.92Å; L163-V222 HydrophobicContact CD1-CG2 4.14Å; L163-F360 HydrophobicContact CD2-CD2 4.48Å; L163-F360 HydrophobicContact CD2-CE1 4.1Å; L163-F360 HydrophobicContact CD2-CE2 3.85Å; L163-F360 HydrophobicContact CD2-CZ 3.64Å
164	K	98.5	Very high	97.9	Very high	52 Å²	52	31.4 Å²	31.4	23%	0.226	14%	0.143	C	C	.	.	H	α-helix	trans	-58	-47.2	174.2	-69.8	168.3	-177.8	177.6	0	111.6	V121 L123 I126 D160 E161 H162 L167 Y168	V121-K164 WeakPolarHBondContact O-CD 3.21Å; L123-K164 HydrophobicContact CD2-CG 3.97Å; L123-K164 HydrophobicContact CG-CG 4.33Å; I126-K164 WeakPolarHBondContact CD1-O 3.02Å; D160-K164 WeakPolarHBondContact O-CG 3.35Å; D160-K164 PolarHBondContact O-N 2.95Å; E161-K164 PolarHBondContact O-N 2.87Å; E161-K164 IonicContact OE1-NZ 2.72Å; E161-K164 PolarHBondContact OE1-NZ 2.65Å; E161-K164 IonicContact OE2-NZ 3.73Å; H162-K164 VanDerWaalsContact C-N 3.3Å; H162-K164 PolarHBondContact O-N 2.69Å; K164-L167 PolarHBondContact O-N 2.91Å; K164-Y168 VanDerWaalsContact O-CB 3.27Å; K164-Y168 WeakPolarHBondContact O-CB 3.21Å; K164-Y168 PolarHBondContact O-N 3.16Å
165	F	98.6	Very high	97.9	Very high	22 Å²	22	32.7 Å²	32.7	10%	0.096	15%	0.149	C	C	.	.	H	α-helix	trans	-63.5	-41.7	174.5	-77.1	-65.2	0	0	0	112.4	F117 I119 V121 E161 H162 L163 Y168 Y169 I314	F117-F165 HydrophobicContact CB-CE1 4.41Å; F117-F165 HydrophobicContact CB-CE2 4.4Å; F117-F165 HydrophobicContact CB-CZ 4.21Å; F117-F165 HydrophobicContact CD1-CB 4.45Å; F117-F165 HydrophobicContact CD1-CD1 4.03Å; F117-F165 HydrophobicContact CD1-CE1 4.41Å; F117-F165 HydrophobicContact CD1-CG 4.1Å; F117-F165 WeakPolarHBondContact O-CZ 3.46Å; I119-F165 WeakPolarHBondContact O-CE1 3.3Å; I119-F165 VanDerWaalsContact O-CZ 3.29Å; I119-F165 WeakPolarHBondContact O-CZ 3.49Å; V121-F165 HydrophobicContact CG2-CD1 3.93Å; V121-F165 HydrophobicContact CG2-CE1 3.76Å; E161-F165 VanDerWaalsContact O-CD2 3.31Å; E161-F165 WeakPolarHBondContact O-CD2 3.49Å; E161-F165 PolarHBondContact O-N 2.76Å; H162-F165 PolarHBondContact O-N 2.72Å; L163-F165 PolarHBondContact O-N 2.81Å; F165-Y168 WeakPolarHBondContact O-CB 3.45Å; F165-Y168 PolarHBondContact O-N 2.69Å; F165-Y169 HydrophobicContact CD1-CE2 4.19Å; F165-Y169 VanDerWaalsContact O-CD2 3.24Å; F165-Y169 WeakPolarHBondContact O-CD2 3.35Å; F165-Y169 PolarHBondContact O-N 3.06Å; F165-I314 HydrophobicContact CB-CD1 3.63Å; F165-I314 HydrophobicContact CD2-CD1 4.3Å; F165-I314 HydrophobicContact CG-CD1 4.3Å
166	W	98.8	Very high	97.9	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-57.7	-51.9	176.9	-168	99.6	0	0	0	111.2	V152 I154 H162 L163 Y168 Y169 L170 L174 V183 S220 V222 I225	V152-W166 HydrophobicContact CB-CH2 4.39Å; V152-W166 HydrophobicContact CG1-CH2 3.6Å; V152-W166 HydrophobicContact CG1-CZ2 3.59Å; I154-W166 HydrophobicContact CD1-CD2 3.66Å; I154-W166 HydrophobicContact CD1-CE3 3.68Å; I154-W166 HydrophobicContact CD1-CG 4.4Å; I154-W166 HydrophobicContact CD1-CH2 3.81Å; I154-W166 HydrophobicContact CD1-CZ2 3.73Å; I154-W166 HydrophobicContact CD1-CZ3 3.78Å; I154-W166 HydrophobicContact CG1-CZ2 4.31Å; H162-W166 PolarHBondContact O-N 3.45Å; L163-W166 PolarHBondContact O-N 3.38Å; W166-Y168 VanDerWaalsContact C-N 3.34Å; W166-Y168 PolarHBondContact O-N 3.41Å; W166-Y169 PolarHBondContact O-N 3.45Å; W166-L170 HydrophobicContact CD2-CB 4.14Å; W166-L170 HydrophobicContact CD2-CD2 4.29Å; W166-L170 HydrophobicContact CD2-CG 4.04Å; W166-L170 HydrophobicContact CE3-CB 4Å; W166-L170 HydrophobicContact CE3-CG 4.41Å; W166-L170 HydrophobicContact CG-CD2 4.36Å; W166-L170 HydrophobicContact CH2-CB 3.8Å; W166-L170 HydrophobicContact CH2-CG 4.05Å; W166-L170 HydrophobicContact CZ2-CB 3.98Å; W166-L170 HydrophobicContact CZ2-CD1 4.49Å; W166-L170 HydrophobicContact CZ2-CG 3.69Å; W166-L170 HydrophobicContact CZ3-CB 3.82Å; W166-L170 HydrophobicContact CZ3-CG 4.4Å; W166-L170 VanDerWaalsContact O-CB 3.3Å; W166-L170 WeakPolarHBondContact O-CB 3.42Å; W166-L170 WeakPolarHBondContact O-CD2 3.47Å; W166-L170 PolarHBondContact O-N 3.19Å; W166-L174 HydrophobicContact CH2-CD1 4.36Å; W166-V183 HydrophobicContact CH2-CG1 4.16Å; W166-V183 HydrophobicContact CH2-CG2 4.24Å; W166-V183 HydrophobicContact CZ3-CG1 3.74Å; W166-V183 HydrophobicContact CZ3-CG2 4.05Å; W166-S220 PolarHBondContact NE1-OG 3.06Å; W166-V222 HydrophobicContact CB-CG2 4.36Å; W166-I225 HydrophobicContact CB-CD1 4.13Å; W166-I225 HydrophobicContact CG-CD1 4.26Å
167	L	98.8	Very high	97.9	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-62.3	-42.2	179.4	-65.1	168	0	0	0	111.4	L123 I126 L163 K164 Y169 H171 V183 L359 F360	L123-L167 HydrophobicContact CD2-CD1 3.81Å; I126-L167 HydrophobicContact CD1-CB 4.09Å; L163-L167 HydrophobicContact CD1-CD1 4.12Å; L163-L167 HydrophobicContact CD1-CD2 4.34Å; L163-L167 HydrophobicContact CD1-CG 3.97Å; L163-L167 HydrophobicContact CG-CD1 3.86Å; L163-L167 HydrophobicContact CG-CG 4.21Å; L163-L167 WeakPolarHBondContact O-CB 3.36Å; L163-L167 VanDerWaalsContact O-CG 3.24Å; L163-L167 WeakPolarHBondContact O-CG 3.17Å; L163-L167 PolarHBondContact O-N 3.43Å; K164-L167 PolarHBondContact O-N 2.91Å; L167-Y169 PolarHBondContact O-N 2.97Å; L167-H171 VanDerWaalsContact CD2-NE2 3.3Å; L167-H171 WeakPolarHBondContact CD2-NE2 3.45Å; L167-H171 WeakPolarHBondContact O-CB 3.45Å; L167-H171 PolarHBondContact O-CD2 2.92Å; L167-H171 PolarHBondContact O-N 2.93Å; L167-H171 VanDerWaalsContact O-N 3.14Å; L167-V183 HydrophobicContact CD2-CG1 4.18Å; L167-L359 HydrophobicContact CD1-CB 4.29Å; L167-L359 HydrophobicContact CD2-CB 4.48Å; L167-F360 HydrophobicContact CD1-CD1 3.59Å; L167-F360 HydrophobicContact CD1-CE1 3.77Å; L167-F360 HydrophobicContact CD2-CB 4.29Å; L167-F360 HydrophobicContact CD2-CD1 4.19Å
168	Y	98.7	Very high	98.1	Very high	91 Å²	91	35.1 Å²	35.1	36%	0.357	16%	0.159	S	C	.	.	H	α-helix	trans	-56.8	-46.8	177.8	176.3	-104.7	0	0	0	112.9	V121 I126 K164 F165 W166 P172	V121-Y168 HydrophobicContact CG1-CD2 3.7Å; V121-Y168 HydrophobicContact CG1-CE2 4.5Å; V121-Y168 HydrophobicContact CG1-CG 3.95Å; V121-Y168 HydrophobicContact CG2-CD1 4.33Å; V121-Y168 HydrophobicContact CG2-CD2 4.31Å; V121-Y168 HydrophobicContact CG2-CG 4.08Å; I126-Y168 HydrophobicContact CG1-CD2 4.15Å; K164-Y168 VanDerWaalsContact O-CB 3.27Å; K164-Y168 WeakPolarHBondContact O-CB 3.21Å; K164-Y168 PolarHBondContact O-N 3.16Å; F165-Y168 WeakPolarHBondContact O-CB 3.45Å; F165-Y168 PolarHBondContact O-N 2.69Å; W166-Y168 VanDerWaalsContact C-N 3.34Å; W166-Y168 PolarHBondContact O-N 3.41Å; Y168-P172 WeakPolarHBondContact O-CD 3.21Å
169	Y	98.8	Very high	98.3	Very high	37 Å²	37	29 Å²	29	15%	0.145	13%	0.132	C	C	.	.	H	α-helix	trans	-82.3	-42.1	-178.5	-75.5	-67.9	0	0	0	112.9	V115 E116 F117 F165 W166 L167 V173 I225	V115-Y169 HydrophobicContact CB-CE1 4.44Å; V115-Y169 HydrophobicContact CG1-CD2 4.3Å; V115-Y169 HydrophobicContact CG1-CE1 4.33Å; V115-Y169 HydrophobicContact CG1-CE2 3.95Å; V115-Y169 HydrophobicContact CG2-CD1 4.41Å; V115-Y169 HydrophobicContact CG2-CE1 4.33Å; E116-Y169 PolarHBondContact N-OH 3.15Å; E116-Y169 PolarHBondContact O-OH 3.29Å; F117-Y169 HydrophobicContact CD1-CE2 4.31Å; F117-Y169 HydrophobicContact CE1-CE2 4.1Å; F165-Y169 HydrophobicContact CD1-CE2 4.19Å; F165-Y169 VanDerWaalsContact O-CD2 3.24Å; F165-Y169 WeakPolarHBondContact O-CD2 3.35Å; F165-Y169 PolarHBondContact O-N 3.06Å; W166-Y169 PolarHBondContact O-N 3.45Å; L167-Y169 PolarHBondContact O-N 2.97Å; Y169-V173 VanDerWaalsContact O-CG2 3.27Å; Y169-V173 WeakPolarHBondContact O-CG2 3.21Å; Y169-I225 VanDerWaalsContact CB-CG2 3.45Å; Y169-I225 HydrophobicContact CD1-CG2 4.29Å; Y169-I225 HydrophobicContact CD2-CD1 4.46Å; Y169-I225 HydrophobicContact CD2-CG1 4.24Å; Y169-I225 HydrophobicContact CD2-CG2 3.78Å; Y169-I225 HydrophobicContact CG-CG2 3.58Å
170	L	98.8	Very high	98.4	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-80.2	-34.9	-169.5	-84.7	-65.6	0	0	0	112.9	W166 V173 L174 I225 P226 Y233	W166-L170 HydrophobicContact CD2-CB 4.14Å; W166-L170 HydrophobicContact CD2-CD2 4.29Å; W166-L170 HydrophobicContact CD2-CG 4.04Å; W166-L170 HydrophobicContact CE3-CB 4Å; W166-L170 HydrophobicContact CE3-CG 4.41Å; W166-L170 HydrophobicContact CG-CD2 4.36Å; W166-L170 HydrophobicContact CH2-CB 3.8Å; W166-L170 HydrophobicContact CH2-CG 4.05Å; W166-L170 HydrophobicContact CZ2-CB 3.98Å; W166-L170 HydrophobicContact CZ2-CD1 4.49Å; W166-L170 HydrophobicContact CZ2-CG 3.69Å; W166-L170 HydrophobicContact CZ3-CB 3.82Å; W166-L170 HydrophobicContact CZ3-CG 4.4Å; W166-L170 VanDerWaalsContact O-CB 3.3Å; W166-L170 WeakPolarHBondContact O-CB 3.42Å; W166-L170 WeakPolarHBondContact O-CD2 3.47Å; W166-L170 PolarHBondContact O-N 3.19Å; L170-V173 HydrophobicContact CD1-CG1 4.48Å; L170-V173 PolarHBondContact O-N 3.35Å; L170-V173 VanDerWaalsContact O-N 3.11Å; L170-L174 HydrophobicContact CB-CD1 4.34Å; L170-L174 WeakPolarHBondContact O-CB 3.24Å; L170-L174 WeakPolarHBondContact O-CG 3.31Å; L170-L174 PolarHBondContact O-N 3.48Å; L170-I225 HydrophobicContact CD2-CD1 3.82Å; L170-I225 HydrophobicContact CD2-CG2 4.19Å; L170-P226 HydrophobicContact CD1-CG 3.78Å; L170-P226 HydrophobicContact CD2-CG 4.36Å; L170-Y233 HydrophobicContact CD1-CD1 4.15Å; L170-Y233 HydrophobicContact CD1-CE1 3.7Å; L170-Y233 HydrophobicContact CD1-CE2 4.3Å
171	H	98.8	Very high	98.5	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-57.2	-48.3	179.7	-82.2	-51.7	0	0	0	113.5	I133 L167 V173 Q175 Y181 L359	I133-H171 HydrophobicContact CD1-CB 3.71Å; I133-H171 VanDerWaalsContact CD1-ND1 3.34Å; I133-H171 WeakPolarHBondContact CD1-ND1 3.42Å; L167-H171 VanDerWaalsContact CD2-NE2 3.3Å; L167-H171 WeakPolarHBondContact CD2-NE2 3.45Å; L167-H171 WeakPolarHBondContact O-CB 3.45Å; L167-H171 PolarHBondContact O-CD2 2.92Å; L167-H171 PolarHBondContact O-N 2.93Å; L167-H171 VanDerWaalsContact O-N 3.14Å; H171-V173 VanDerWaalsContact C-N 3.34Å; H171-V173 PolarHBondContact O-N 2.94Å; H171-Q175 WeakPolarHBondContact O-CB 3.27Å; H171-Q175 VanDerWaalsContact O-CG 3.3Å; H171-Q175 WeakPolarHBondContact O-CG 3.42Å; H171-Q175 PolarHBondContact O-N 3.35Å; H171-Q175 VanDerWaalsContact O-N 3.12Å; H171-Q175 PolarHBondContact O-NE2 2.84Å; H171-Y181 AromaticContact ND1-CE2 3.86Å; H171-Y181 AromaticContact ND1-CZ 3.9Å; H171-Y181 PolarHBondContact ND1-OH 2.8Å; H171-L359 PolarHBondContact CE1-O 2.83Å; H171-L359 PolarHBondContact NE2-O 3.36Å
172	P	98.8	Very high	98.6	Very high	36 Å²	36	19.5 Å²	19.5	23%	0.234	9%	0.087	C	C	.	.	H	α-helix	trans	-62	-39.8	174.1	-25.5	35.6	0	0	0	113	Y168 R176	Y168-P172 WeakPolarHBondContact O-CD 3.21Å; P172-R176 VanDerWaalsContact CB-NH1 3.29Å; P172-R176 WeakPolarHBondContact O-CG 3.35Å; P172-R176 PolarHBondContact O-N 3.16Å; P172-R176 PolarHBondContact O-NH1 3.44Å
173	V	98.8	Very high	98.7	Very high	2 Å²	2	18.4 Å²	18.4	1%	0.012	8%	0.082	C	C	.	.	H	α-helix	trans	-61.5	-51	178.6	168.4	0	0	0	0	111.1	L113 Y169 L170 H171 Q175 R176 Q177 D229	L113-V173 HydrophobicContact CD1-CG2 3.58Å; Y169-V173 VanDerWaalsContact O-CG2 3.27Å; Y169-V173 WeakPolarHBondContact O-CG2 3.21Å; L170-V173 HydrophobicContact CD1-CG1 4.48Å; L170-V173 PolarHBondContact O-N 3.35Å; L170-V173 VanDerWaalsContact O-N 3.11Å; H171-V173 VanDerWaalsContact C-N 3.34Å; H171-V173 PolarHBondContact O-N 2.94Å; V173-Q175 VanDerWaalsContact C-N 3.32Å; V173-Q175 PolarHBondContact O-N 3.35Å; V173-R176 PolarHBondContact O-N 2.9Å; V173-Q177 VanDerWaalsContact O-CG 3.29Å; V173-Q177 WeakPolarHBondContact O-CG 3.45Å; V173-Q177 PolarHBondContact O-N 3.43Å; V173-D229 HydrophobicContact CG1-CB 3.98Å; V173-D229 HydrophobicContact CG2-CB 4.22Å
174	L	98.8	Very high	98.7	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-65.2	-35.8	-177.5	-62.5	174	0	0	0	112	V152 W166 L170 Q177 Q178 L179 Y181 Y233	V152-L174 HydrophobicContact CG2-CD1 4.25Å; W166-L174 HydrophobicContact CH2-CD1 4.36Å; L170-L174 HydrophobicContact CB-CD1 4.34Å; L170-L174 WeakPolarHBondContact O-CB 3.24Å; L170-L174 WeakPolarHBondContact O-CG 3.31Å; L170-L174 PolarHBondContact O-N 3.48Å; L174-Q177 PolarHBondContact O-N 3.18Å; L174-Q178 PolarHBondContact O-N 3.26Å; L174-L179 HydrophobicContact CD2-CD1 3.81Å; L174-Y181 HydrophobicContact CB-CD1 3.81Å; L174-Y181 HydrophobicContact CB-CE1 3.42Å; L174-Y181 VanDerWaalsContact CB-CE1 3.42Å; L174-Y181 HydrophobicContact CB-CE2 4.23Å; L174-Y181 HydrophobicContact CB-CG 4.34Å; L174-Y181 HydrophobicContact CD1-CD2 3.86Å; L174-Y181 HydrophobicContact CD1-CE1 4.42Å; L174-Y181 HydrophobicContact CD1-CE2 3.72Å; L174-Y181 HydrophobicContact CD1-CG 4.31Å; L174-Y233 VanDerWaalsContact CD2-CB 3.46Å; L174-Y233 HydrophobicContact CD2-CD1 4.11Å; L174-Y233 HydrophobicContact CD2-CG 3.89Å
175	Q	98.7	Very high	98.7	Very high	27 Å²	27	15.8 Å²	15.8	13%	0.126	7%	0.07	C	C	.	.	H	α-helix	trans	-65.1	-46.1	172.9	-74.3	172.3	92.7	0	0	111.9	N130 F139 H171 V173 Q177 Q178 Y181	N130-Q175 PolarHBondContact OD1-NE2 3.05Å; F139-Q175 HydrophobicContact CD1-CG 3.88Å; F139-Q175 HydrophobicContact CD2-CG 3.72Å; F139-Q175 HydrophobicContact CE1-CB 4.13Å; F139-Q175 HydrophobicContact CE1-CG 3.89Å; F139-Q175 HydrophobicContact CE2-CB 4.38Å; F139-Q175 HydrophobicContact CE2-CG 3.72Å; F139-Q175 HydrophobicContact CG-CG 3.79Å; F139-Q175 HydrophobicContact CZ-CB 4.04Å; F139-Q175 HydrophobicContact CZ-CG 3.8Å; H171-Q175 WeakPolarHBondContact O-CB 3.27Å; H171-Q175 VanDerWaalsContact O-CG 3.3Å; H171-Q175 WeakPolarHBondContact O-CG 3.42Å; H171-Q175 PolarHBondContact O-N 3.35Å; H171-Q175 VanDerWaalsContact O-N 3.12Å; H171-Q175 PolarHBondContact O-NE2 2.84Å; V173-Q175 VanDerWaalsContact C-N 3.32Å; V173-Q175 PolarHBondContact O-N 3.35Å; Q175-Q177 PolarHBondContact O-N 3.4Å; Q175-Q178 PolarHBondContact O-N 2.86Å; Q175-Y181 HydrophobicContact CG-CE1 4.31Å
176	R	98.7	Very high	98.7	Very high	53 Å²	53	14.7 Å²	14.7	20%	0.2	7%	0.066	C	C	.	.	H	α-helix	trans	-63.6	-26.5	175.4	-70.6	-171.1	-49.7	-91.8	4.3	112.2	S106 L108 L109 P172 V173 Q178 D229	S106-R176 WeakPolarHBondContact CB-O 3.47Å; S106-R176 PolarHBondContact OG-O 2.91Å; L108-R176 HydrophobicContact CB-CB 4.16Å; L108-R176 HydrophobicContact CB-CG 4.31Å; L108-R176 VanDerWaalsContact O-CD 3.3Å; L108-R176 WeakPolarHBondContact O-CD 3.3Å; L109-R176 HydrophobicContact CD2-CB 4.44Å; P172-R176 VanDerWaalsContact CB-NH1 3.29Å; P172-R176 WeakPolarHBondContact O-CG 3.35Å; P172-R176 PolarHBondContact O-N 3.16Å; P172-R176 PolarHBondContact O-NH1 3.44Å; V173-R176 PolarHBondContact O-N 2.9Å; R176-Q178 PolarHBondContact O-N 3.07Å; R176-D229 IonicContact CZ-OD2 3.37Å; R176-D229 IonicContact NE-OD2 3.89Å; R176-D229 PolarHBondContact NE-OD2 2.78Å; R176-D229 IonicContact NH2-OD2 3.12Å; R176-D229 PolarHBondContact NH2-OD2 3.36Å
177	Q	98.6	Very high	98.7	Very high	12 Å²	12	15.2 Å²	15.2	6%	0.056	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-1.2	173.7	-70.7	174.4	6	0	0	114	L109 V173 L174 Q175 L179 D229 N231 T232	L109-Q177 HydrophobicContact CD2-CG 3.82Å; V173-Q177 VanDerWaalsContact O-CG 3.29Å; V173-Q177 WeakPolarHBondContact O-CG 3.45Å; V173-Q177 PolarHBondContact O-N 3.43Å; L174-Q177 PolarHBondContact O-N 3.18Å; Q175-Q177 PolarHBondContact O-N 3.4Å; Q177-L179 VanDerWaalsContact C-N 3.29Å; Q177-L179 HydrophobicContact CB-CD1 4.08Å; Q177-L179 HydrophobicContact CB-CD2 4.42Å; Q177-L179 HydrophobicContact CB-CG 3.87Å; Q177-L179 PolarHBondContact O-N 3.23Å; Q177-D229 PolarHBondContact NE2-O 3Å; Q177-N231 PolarHBondContact NE2-O 3.12Å; Q177-T232 HydrophobicContact CB-CG2 4.21Å; Q177-T232 HydrophobicContact CG-CG2 4.16Å
178	Q	98.4	Very high	98.7	Very high	26 Å²	26	15.5 Å²	15.5	12%	0.121	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	55	39.9	177.9	-59.5	-175.9	-78.1	0	0	113.9	C102 S106 L108 P141 C144 A146 L174 Q175 R176	C102-Q178 HydrophobicContact CB-CB 4.29Å; S106-Q178 PolarHBondContact OG-OE1 2.67Å; L108-Q178 HydrophobicContact CD1-CG 3.89Å; P141-Q178 HydrophobicContact CG-CB 3.89Å; P141-Q178 WeakPolarHBondContact CG-O 3.44Å; C144-Q178 PolarHBondContact SG-NE2 3.25Å; A146-Q178 WeakPolarHBondContact CB-O 3.29Å; L174-Q178 PolarHBondContact O-N 3.26Å; Q175-Q178 PolarHBondContact O-N 2.86Å; R176-Q178 PolarHBondContact O-N 3.07Å
179	L	98.2	Very high	98.4	Very high	7 Å²	7	15.1 Å²	15.1	4%	0.037	7%	0.071	C	C	.	.			trans	-86.3	147	178.7	-54.5	175.4	0	0	0	111.4	F139 V150 L174 Q177 Y181 T232 Y233 R234	F139-L179 VanDerWaalsContact CD1-O 3.32Å; F139-L179 WeakPolarHBondContact CD1-O 3.17Å; V150-L179 HydrophobicContact CG2-CD1 4.42Å; V150-L179 HydrophobicContact CG2-CD2 4.27Å; L174-L179 HydrophobicContact CD2-CD1 3.81Å; Q177-L179 VanDerWaalsContact C-N 3.29Å; Q177-L179 HydrophobicContact CB-CD1 4.08Å; Q177-L179 HydrophobicContact CB-CD2 4.42Å; Q177-L179 HydrophobicContact CB-CG 3.87Å; Q177-L179 PolarHBondContact O-N 3.23Å; L179-Y181 HydrophobicContact CB-CD1 4.08Å; L179-T232 HydrophobicContact CD2-CG2 4.48Å; L179-Y233 WeakPolarHBondContact CD1-O 3.49Å; L179-R234 HydrophobicContact CD2-CB 4.08Å
180	D	98.7	Very high	97.6	Very high	15 Å²	15	17.9 Å²	17.9	8%	0.08	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	106.9	155.9	-178.6	-20.4	0	0	0	106.4	R138 F139 R140 A146 K149 V150 Y212	R138-D180 IonicContact NH2-OD1 3.36Å; R138-D180 PolarHBondContact NH2-OD1 3.22Å; F139-D180 CarbonylContact O-C 3.34Å; F139-D180 WeakPolarHBondContact O-CA 3.31Å; R140-D180 HydrophobicContact CB-CB 4.16Å; A146-D180 HydrophobicContact CB-CB 3.79Å; A146-D180 VanDerWaalsContact CB-N 3.29Å; K149-D180 CarbonylContact C-O 3.58Å; K149-D180 WeakPolarHBondContact CA-O 3.45Å; K149-D180 HydrophobicContact CG-CB 4.42Å; V150-D180 PolarHBondContact N-O 2.74Å; D180-Y212 PolarHBondContact OD2-OH 3.21Å
181	Y	98.9	Very high	96.7	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	160.7	-171.8	76.8	-93.1	0	0	0	114	R138 F139 V150 H171 L174 Q175 L179 V183	R138-Y181 WeakPolarHBondContact CA-O 3.31Å; R138-Y181 PolarHBondContact NE-O 3.39Å; F139-Y181 HydrophobicContact CB-CD1 4Å; F139-Y181 HydrophobicContact CB-CE1 3.47Å; F139-Y181 VanDerWaalsContact CB-CE1 3.47Å; F139-Y181 HydrophobicContact CB-CE2 4.49Å; F139-Y181 AromaticContact CD1-CD1 3.88Å; F139-Y181 HydrophobicContact CD1-CD1 3.88Å; F139-Y181 AromaticContact CD1-CE1 3.5Å; F139-Y181 HydrophobicContact CD1-CE1 3.5Å; F139-Y181 HydrophobicContact CG-CD1 4.41Å; F139-Y181 AromaticContact CG-CE1 3.79Å; F139-Y181 HydrophobicContact CG-CE1 3.79Å; F139-Y181 PolarHBondContact N-O 3.37Å; F139-Y181 VanDerWaalsContact N-O 3.07Å; F139-Y181 PolarHBondContact O-N 2.96Å; V150-Y181 CarbonylContact O-C 3.5Å; V150-Y181 WeakPolarHBondContact O-CA 3.11Å; V150-Y181 WeakPolarHBondContact O-CB 3.49Å; H171-Y181 AromaticContact ND1-CE2 3.86Å; H171-Y181 AromaticContact ND1-CZ 3.9Å; H171-Y181 PolarHBondContact ND1-OH 2.8Å; L174-Y181 HydrophobicContact CB-CD1 3.81Å; L174-Y181 HydrophobicContact CB-CE1 3.42Å; L174-Y181 VanDerWaalsContact CB-CE1 3.42Å; L174-Y181 HydrophobicContact CB-CE2 4.23Å; L174-Y181 HydrophobicContact CB-CG 4.34Å; L174-Y181 HydrophobicContact CD1-CD2 3.86Å; L174-Y181 HydrophobicContact CD1-CE1 4.42Å; L174-Y181 HydrophobicContact CD1-CE2 3.72Å; L174-Y181 HydrophobicContact CD1-CG 4.31Å; Q175-Y181 HydrophobicContact CG-CE1 4.31Å; L179-Y181 HydrophobicContact CB-CD1 4.08Å; Y181-V183 HydrophobicContact CD2-CG2 4.02Å; Y181-V183 HydrophobicContact CE2-CG2 3.83Å
182	G	98.9	Very high	95.7	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	144.2	165.7	0	0	0	0	0	111.8	V150 V152	V150-G182 PolarHBondContact O-N 2.8Å; V152-G182 PolarHBondContact N-O 2.76Å
183	V	98.9	Very high	95.2	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	120.1	179.1	-177.2	0	0	0	0	109.9	G137 I154 W166 L167 Y181 F360 T361	G137-V183 PolarHBondContact O-N 2.85Å; I154-V183 HydrophobicContact CD1-CG1 3.95Å; W166-V183 HydrophobicContact CH2-CG1 4.16Å; W166-V183 HydrophobicContact CH2-CG2 4.24Å; W166-V183 HydrophobicContact CZ3-CG1 3.74Å; W166-V183 HydrophobicContact CZ3-CG2 4.05Å; L167-V183 HydrophobicContact CD2-CG1 4.18Å; Y181-V183 HydrophobicContact CD2-CG2 4.02Å; Y181-V183 HydrophobicContact CE2-CG2 3.83Å; V183-F360 HydrophobicContact CB-CB 4.01Å; V183-F360 HydrophobicContact CG1-CB 3.82Å; V183-T361 PolarHBondContact O-N 2.87Å
184	Y	98.9	Very high	94.8	Very high	3 Å²	3	28 Å²	28	1%	0.012	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	109.3	-176.7	-64.3	-89.2	0	0	0	110.3	A151 V152 I154 A208 E211 Y214 T361 I363	A151-Y184 HydrophobicContact CB-CD2 4.24Å; A151-Y184 HydrophobicContact CB-CE2 4.2Å; V152-Y184 PolarHBondContact O-N 2.84Å; I154-Y184 PolarHBondContact N-O 2.85Å; Y184-A208 HydrophobicContact CD1-CB 4.31Å; Y184-A208 HydrophobicContact CD2-CB 3.96Å; Y184-A208 HydrophobicContact CE1-CB 4.18Å; Y184-A208 HydrophobicContact CE2-CB 3.82Å; Y184-A208 HydrophobicContact CG-CB 4.21Å; Y184-E211 HydrophobicContact CE1-CB 4.46Å; Y184-E211 HydrophobicContact CE1-CG 4.28Å; Y184-E211 WeakPolarHBondContact OH-CB 3.33Å; Y184-Y214 AromaticContact CE2-CE2 3.7Å; Y184-Y214 HydrophobicContact CE2-CE2 3.7Å; Y184-Y214 AromaticContact CE2-CZ 3.7Å; Y184-Y214 WeakPolarHBondContact CE2-OH 3.41Å; Y184-Y214 AromaticContact CZ-CE2 3.78Å; Y184-Y214 AromaticContact CZ-CZ 3.99Å; Y184-Y214 VanDerWaalsContact OH-CE2 3.22Å; Y184-Y214 WeakPolarHBondContact OH-CE2 3.37Å; Y184-Y214 PolarHBondContact OH-OH 2.8Å; Y184-T361 WeakPolarHBondContact CA-O 3.49Å; Y184-T361 HydrophobicContact CD1-CG2 4.39Å; Y184-I363 HydrophobicContact CD1-CD1 4.11Å
185	V	98.9	Very high	94.6	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	107	175.9	179	0	0	0	0	108.4	I154 F156 L163 N187 F360 T361 K362 I363	I154-V185 HydrophobicContact CB-CG2 4.5Å; I154-V185 HydrophobicContact CD1-CG2 4.35Å; F156-V185 HydrophobicContact CB-CG1 3.49Å; F156-V185 VanDerWaalsContact CB-CG1 3.49Å; F156-V185 HydrophobicContact CD1-CG1 3.93Å; F156-V185 HydrophobicContact CD2-CG1 3.91Å; F156-V185 HydrophobicContact CG-CG1 3.5Å; L163-V185 HydrophobicContact CD1-CG2 3.76Å; L163-V185 HydrophobicContact CD2-CG1 4.25Å; L163-V185 HydrophobicContact CD2-CG2 3.99Å; V185-N187 PolarHBondContact O-N 3.04Å; V185-F360 HydrophobicContact CB-CD2 3.79Å; V185-F360 HydrophobicContact CB-CE2 4.09Å; V185-F360 HydrophobicContact CG2-CB 4.23Å; V185-F360 HydrophobicContact CG2-CD2 3.38Å; V185-F360 HydrophobicContact CG2-CE2 3.89Å; V185-F360 HydrophobicContact CG2-CG 3.99Å; V185-T361 PolarHBondContact N-O 3Å; V185-K362 WeakPolarHBondContact O-CA 3.42Å; V185-I363 PolarHBondContact O-N 3.37Å
186	I	98.8	Very high	94.6	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	95.9	-177.5	-44.7	-55.2	0	0	0	108.4	I153 I154 F156 L200 V203 G204 I363 V365	I153-I186 HydrophobicContact CG2-CG1 3.87Å; I154-I186 PolarHBondContact O-N 2.8Å; F156-I186 PolarHBondContact N-O 3.38Å; I186-L200 HydrophobicContact CB-CB 4.35Å; I186-L200 HydrophobicContact CG2-CB 4.06Å; I186-L200 HydrophobicContact CG2-CD2 3.83Å; I186-V203 HydrophobicContact CG2-CB 4.06Å; I186-V203 HydrophobicContact CG2-CG1 3.76Å; I186-G204 VanDerWaalsContact CD1-CA 3.44Å; I186-I363 CarbonylContact C-O 3.57Å; I186-I363 HydrophobicContact CD1-CB 4.06Å; I186-I363 HydrophobicContact CD1-CD1 4.1Å; I186-I363 HydrophobicContact CD1-CG1 4.31Å; I186-V365 HydrophobicContact CG2-CG2 4.12Å
187	N	98.4	Very high	94.5	Very high	11 Å²	11	26.7 Å²	26.7	6%	0.059	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	114.1	-176.3	-177.8	59.4	0	0	0	110.2	F156 V185 Q189 K362 I363 T364 V365	F156-N187 HydrophobicContact CD1-CB 4.29Å; F156-N187 WeakPolarHBondContact CD1-OD1 3.22Å; F156-N187 WeakPolarHBondContact O-CA 3.44Å; V185-N187 PolarHBondContact O-N 3.04Å; N187-Q189 PolarHBondContact O-N 3.47Å; N187-K362 HydrophobicContact CB-CG 4.23Å; N187-I363 PolarHBondContact N-O 3.26Å; N187-T364 WeakPolarHBondContact ND2-CG2 3.3Å; N187-T364 PolarHBondContact ND2-OG1 3.42Å; N187-T364 VanDerWaalsContact ND2-OG1 3.09Å; N187-T364 VanDerWaalsContact O-CA 3.28Å; N187-T364 WeakPolarHBondContact O-CA 3.43Å; N187-V365 PolarHBondContact O-N 3.44Å
188	Q	97.6	Very high	94.5	Very high	5 Å²	5	26.1 Å²	26.1	2%	0.023	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	126.1	166.4	-173.1	169.6	-24.8	0	0	108.5	F156 D190 V194 F195 N196 L200 V367	F156-Q188 PolarHBondContact O-N 3.01Å; Q188-D190 PolarHBondContact O-N 3.36Å; Q188-V194 PolarHBondContact NE2-O 3.11Å; Q188-F195 HydrophobicContact CB-CD2 4.48Å; Q188-F195 HydrophobicContact CB-CE2 4.41Å; Q188-N196 VanDerWaalsContact OE1-N 3.07Å; Q188-L200 HydrophobicContact CB-CD1 3.93Å; Q188-L200 HydrophobicContact CB-CD2 3.87Å; Q188-L200 HydrophobicContact CB-CG 4.46Å; Q188-V367 HydrophobicContact CG-CG2 3.93Å
189	Q	93.1	Very high	94.5	Very high	83 Å²	83	25.6 Å²	25.6	39%	0.388	14%	0.138	S	C	.	.	P	Polyproline II helix	trans	-49.4	140.4	179.4	-176.2	178	14.8	0	0	111.1	N187 G191 T364 V365	N187-Q189 PolarHBondContact O-N 3.47Å; Q189-G191 PolarHBondContact O-N 2.97Å; Q189-T364 HydrophobicContact CB-CG2 4.22Å; Q189-V365 WeakPolarHBondContact CB-O 3.13Å; Q189-V365 PolarHBondContact N-O 3.29Å
190	D	82.8	Confident	94.5	Very high	96 Å²	96	25.2 Å²	25.2	51%	0.513	14%	0.136	S	C	.	.	S	Bend	trans	-63.2	129.2	177.3	-71	-39.4	0	0	0	110.6	K158 Q188	K158-D190 WeakPolarHBondContact CE-OD1 3.37Å; K158-D190 IonicContact NZ-OD1 2.72Å; Q188-D190 PolarHBondContact O-N 3.36Å
191	G	79.6	Confident	94.5	Very high	35 Å²	35	24.6 Å²	24.6	36%	0.361	13%	0.133	S	C	.	.	S	Bend	trans	-177.3	-169.1	-179.8	0	0	0	0	0	113	Q189 E193 K321	Q189-G191 PolarHBondContact O-N 2.97Å; G191-E193 VanDerWaalsContact C-N 3.3Å; G191-K321 PolarHBondContact O-NZ 3.22Å
192	D	77.4	Confident	94.5	Very high	130 Å²	130	24.6 Å²	24.6	70%	0.695	13%	0.133	S	C	*	.	S	Bend	trans	-86.5	0.4	176.7	-68.9	-34	0	0	0	115.1	K321	D192-K321 VanDerWaalsContact CA-CE 3.5Å; D192-K321 VanDerWaalsContact CA-NZ 3.33Å; D192-K321 WeakPolarHBondContact O-CD 3.39Å; D192-K321 WeakPolarHBondContact O-CE 3.46Å; D192-K321 WeakPolarHBondContact OD1-CE 3.48Å; D192-K321 IonicContact OD1-NZ 2.91Å; D192-K321 PolarHBondContact OD1-NZ 2.87Å
193	E	87.2	Confident	94.5	Very high	46 Å²	46	24.6 Å²	24.6	22%	0.215	13%	0.133	C	C	.	.	S	Bend	trans	-76.1	153	-174.6	-51.8	-48.1	141.5	0	0	113.7	R157 G191 K369	R157-E193 PolarHBondContact NH1-O 2.81Å; R157-E193 PolarHBondContact NH2-O 3.1Å; G191-E193 VanDerWaalsContact C-N 3.3Å; E193-K369 VanDerWaalsContact CD-CD 3.44Å; E193-K369 VanDerWaalsContact CD-CE 3.46Å; E193-K369 HydrophobicContact CG-CG 4.16Å; E193-K369 WeakPolarHBondContact OE1-CD 3.4Å; E193-K369 WeakPolarHBondContact OE1-CE 3.36Å; E193-K369 IonicContact OE1-NZ 2.59Å; E193-K369 PolarHBondContact OE1-NZ 3.17Å; E193-K369 VanDerWaalsContact OE2-CD 3.25Å; E193-K369 WeakPolarHBondContact OE2-CD 3.38Å; E193-K369 VanDerWaalsContact OE2-CG 3.22Å; E193-K369 WeakPolarHBondContact OE2-CG 3.22Å
194	V	91.9	Very high	94.5	Very high	38 Å²	38	24.6 Å²	24.6	23%	0.23	13%	0.133	C	C	.	.	P	Polyproline II helix	trans	-69.1	141.5	177.3	-174.2	0	0	0	0	109.7	Q188 W281 G282	Q188-V194 PolarHBondContact NE2-O 3.11Å; V194-W281 HydrophobicContact CB-CB 4.38Å; V194-W281 HydrophobicContact CB-CE3 4.28Å; V194-W281 HydrophobicContact CG1-CB 4.2Å; V194-W281 WeakPolarHBondContact O-CZ3 3.42Å; V194-G282 VanDerWaalsContact CG1-CA 3.41Å
195	F	94.9	Very high	94.5	Very high	27 Å²	27	24.7 Å²	24.7	12%	0.118	13%	0.133	C	C	.	.	P	Polyproline II helix	trans	-66.1	137.3	176.3	-167.7	-115.7	0	0	0	110.7	P155 R157 Q188 R197 L200 G282 K321	P155-F195 HydrophobicContact CB-CZ 4.14Å; R157-F195 HydrophobicContact CB-CD2 3.98Å; R157-F195 HydrophobicContact CB-CE2 3.79Å; Q188-F195 HydrophobicContact CB-CD2 4.48Å; Q188-F195 HydrophobicContact CB-CE2 4.41Å; F195-R197 HydrophobicContact CD1-CB 4.3Å; F195-R197 HydrophobicContact CE1-CB 3.9Å; F195-L200 HydrophobicContact CD2-CD1 4.15Å; F195-L200 HydrophobicContact CE1-CD1 4.47Å; F195-L200 HydrophobicContact CE2-CD1 3.37Å; F195-L200 HydrophobicContact CZ-CD1 3.57Å; F195-G282 PolarHBondContact O-N 3.44Å; F195-K321 PolarHBondContact N-O 3.01Å
196	N	96.9	Very high	94.5	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.149	C	C	.	.			trans	-126.3	90.7	176.5	-168.9	-31.8	0	0	0	110.8	Q188 K199 L200 N278 Y280 W281	Q188-N196 VanDerWaalsContact OE1-N 3.07Å; N196-K199 HydrophobicContact CB-CB 4.11Å; N196-K199 WeakPolarHBondContact OD1-CB 3.2Å; N196-K199 PolarHBondContact OD1-N 3.35Å; N196-L200 WeakPolarHBondContact O-CD1 3.3Å; N196-L200 VanDerWaalsContact O-CG 3.23Å; N196-L200 WeakPolarHBondContact O-CG 3.47Å; N196-L200 PolarHBondContact O-N 3.47Å; N196-N278 PolarHBondContact ND2-O 3.26Å; N196-Y280 PolarHBondContact OD1-O 2.92Å; N196-W281 HydrophobicContact CB-CD2 4.16Å; N196-W281 HydrophobicContact CB-CE3 3.69Å; N196-W281 HydrophobicContact CB-CH2 4.3Å; N196-W281 HydrophobicContact CB-CZ3 3.77Å; N196-W281 VanDerWaalsContact ND2-CE2 3.28Å
197	R	97.6	Very high	94.5	Very high	26 Å²	26	28.5 Å²	28.5	10%	0.098	15%	0.152	C	C	.	.	H	α-helix	trans	-59.4	-56.4	-176.1	178.2	169.7	166.9	-82.4	-0.4	111.8	P155 F195 K199 L200 L201 D221 E286 D287	P155-R197 HydrophobicContact CB-CG 4.23Å; P155-R197 HydrophobicContact CG-CG 3.89Å; F195-R197 HydrophobicContact CD1-CB 4.3Å; F195-R197 HydrophobicContact CE1-CB 3.9Å; R197-K199 VanDerWaalsContact C-N 3.34Å; R197-K199 PolarHBondContact O-N 3.42Å; R197-L200 PolarHBondContact O-N 3.15Å; R197-L201 HydrophobicContact CG-CD1 4.29Å; R197-L201 WeakPolarHBondContact O-CG 3.36Å; R197-L201 PolarHBondContact O-N 2.87Å; R197-L201 VanDerWaalsContact O-N 3.13Å; R197-D221 IonicContact CZ-OD1 2.97Å; R197-D221 IonicContact NE-OD1 3.94Å; R197-D221 PolarHBondContact NE-OD1 3.42Å; R197-D221 IonicContact NE-OD2 2.69Å; R197-D221 IonicContact NH2-OD1 3.29Å; R197-D221 PolarHBondContact NH2-OD1 3.46Å; R197-E286 WeakPolarHBondContact CD-OE1 3.26Å; R197-E286 IonicContact CZ-OE1 2.65Å; R197-E286 IonicContact NE-OE1 2.72Å; R197-E286 IonicContact NH1-OE1 3.12Å; R197-E286 PolarHBondContact NH1-OE1 3.13Å; R197-D287 IonicContact CZ-OD1 2.69Å; R197-D287 IonicContact NH1-OD1 3.16Å; R197-D287 PolarHBondContact NH1-OD1 2.84Å; R197-D287 IonicContact NH2-OD1 3.51Å
198	A	98.3	Very high	94.5	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-61.3	-39.8	-174.7	0	0	0	0	0	113	L200 L201 N202 F276 P277 E286	A198-L200 PolarHBondContact O-N 2.86Å; A198-L201 WeakPolarHBondContact O-CB 3.36Å; A198-L201 PolarHBondContact O-N 3.49Å; A198-N202 PolarHBondContact O-N 3.06Å; A198-N202 VanDerWaalsContact O-N 3.11Å; A198-F276 HydrophobicContact CB-CB 4.11Å; A198-P277 HydrophobicContact CB-CG 4.36Å; A198-P277 WeakPolarHBondContact CB-O 3.45Å; A198-E286 HydrophobicContact CB-CB 4.02Å; A198-E286 HydrophobicContact CB-CG 3.98Å
199	K	98.6	Very high	94.6	Very high	15 Å²	15	29.9 Å²	29.9	7%	0.065	16%	0.159	C	C	.	.	H	α-helix	trans	-64.6	-39.5	176.7	-168	166.7	-175.1	-177.5	0	112.2	N196 R197 L201 N202 V203 N278 W281 L347 T348 V367	N196-K199 HydrophobicContact CB-CB 4.11Å; N196-K199 WeakPolarHBondContact OD1-CB 3.2Å; N196-K199 PolarHBondContact OD1-N 3.35Å; R197-K199 VanDerWaalsContact C-N 3.34Å; R197-K199 PolarHBondContact O-N 3.42Å; K199-L201 VanDerWaalsContact C-N 3.31Å; K199-L201 PolarHBondContact O-N 3.18Å; K199-N202 WeakPolarHBondContact O-CB 3.42Å; K199-N202 PolarHBondContact O-N 2.87Å; K199-V203 WeakPolarHBondContact O-CG2 3.39Å; K199-V203 PolarHBondContact O-N 3.43Å; K199-N278 HydrophobicContact CB-CB 4.45Å; K199-N278 HydrophobicContact CD-CB 3.99Å; K199-N278 HydrophobicContact CG-CB 4.15Å; K199-W281 HydrophobicContact CD-CZ2 4.45Å; K199-L347 HydrophobicContact CG-CD1 3.88Å; K199-T348 WeakPolarHBondContact CE-O 3.35Å; K199-T348 PolarHBondContact NZ-O 2.93Å; K199-V367 HydrophobicContact CD-CB 3.98Å; K199-V367 HydrophobicContact CD-CG1 4.45Å; K199-V367 HydrophobicContact CG-CB 4.36Å; K199-V367 HydrophobicContact CG-CG1 4.3Å; K199-V367 PolarHBondContact NZ-O 2.59Å
200	L	98.7	Very high	94.8	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-65.1	-34.4	174.7	-65.4	166.1	0	0	0	112.3	P155 I186 Q188 F195 N196 R197 A198 V203 G204 V365 V367	P155-L200 HydrophobicContact CB-CB 3.97Å; P155-L200 HydrophobicContact CB-CD1 4.12Å; I186-L200 HydrophobicContact CB-CB 4.35Å; I186-L200 HydrophobicContact CG2-CB 4.06Å; I186-L200 HydrophobicContact CG2-CD2 3.83Å; Q188-L200 HydrophobicContact CB-CD1 3.93Å; Q188-L200 HydrophobicContact CB-CD2 3.87Å; Q188-L200 HydrophobicContact CB-CG 4.46Å; F195-L200 HydrophobicContact CD2-CD1 4.15Å; F195-L200 HydrophobicContact CE1-CD1 4.47Å; F195-L200 HydrophobicContact CE2-CD1 3.37Å; F195-L200 HydrophobicContact CZ-CD1 3.57Å; N196-L200 WeakPolarHBondContact O-CD1 3.3Å; N196-L200 VanDerWaalsContact O-CG 3.23Å; N196-L200 WeakPolarHBondContact O-CG 3.47Å; N196-L200 PolarHBondContact O-N 3.47Å; R197-L200 PolarHBondContact O-N 3.15Å; A198-L200 PolarHBondContact O-N 2.86Å; L200-V203 WeakPolarHBondContact O-CB 3.21Å; L200-V203 PolarHBondContact O-N 3.35Å; L200-G204 PolarHBondContact O-N 2.96Å; L200-V365 HydrophobicContact CD2-CG2 3.71Å; L200-V367 HydrophobicContact CD2-CG1 3.92Å
201	L	98.8	Very high	95.5	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.005	16%	0.161	C	C	.	.	H	α-helix	trans	-65.9	-40.8	175.2	-61	176.3	0	0	0	111.4	I153 P155 R197 A198 K199 G204 Y205 F219 F276	I153-L201 HydrophobicContact CG2-CD2 3.88Å; P155-L201 HydrophobicContact CB-CD2 3.98Å; P155-L201 HydrophobicContact CB-CG 4.44Å; P155-L201 HydrophobicContact CG-CD2 3.66Å; P155-L201 HydrophobicContact CG-CG 4.34Å; R197-L201 HydrophobicContact CG-CD1 4.29Å; R197-L201 WeakPolarHBondContact O-CG 3.36Å; R197-L201 PolarHBondContact O-N 2.87Å; R197-L201 VanDerWaalsContact O-N 3.13Å; A198-L201 WeakPolarHBondContact O-CB 3.36Å; A198-L201 PolarHBondContact O-N 3.49Å; K199-L201 VanDerWaalsContact C-N 3.31Å; K199-L201 PolarHBondContact O-N 3.18Å; L201-G204 PolarHBondContact O-N 3.01Å; L201-Y205 PolarHBondContact O-N 3.45Å; L201-F219 HydrophobicContact CB-CD1 3.89Å; L201-F219 HydrophobicContact CB-CE1 4.31Å; L201-F219 HydrophobicContact CD1-CB 4.14Å; L201-F219 HydrophobicContact CD1-CD1 4.42Å; L201-F219 HydrophobicContact CD1-CG 4.49Å; L201-F219 HydrophobicContact CD2-CB 4.05Å; L201-F219 HydrophobicContact CD2-CD1 3.96Å; L201-F219 HydrophobicContact CD2-CG 4.46Å; L201-F219 HydrophobicContact CG-CD1 4.27Å; L201-F276 HydrophobicContact CB-CD2 3.7Å; L201-F276 HydrophobicContact CB-CE2 3.9Å; L201-F276 HydrophobicContact CD1-CD2 3.81Å; L201-F276 HydrophobicContact CD1-CE2 3.62Å; L201-F276 HydrophobicContact CG-CD2 4.4Å; L201-F276 HydrophobicContact CG-CE2 4.38Å
202	N	98.9	Very high	96.3	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-60.3	-44.3	171.8	-78.4	-21.1	0	0	0	111.8	A198 K199 G204 Y205 M206 Y270 F276 N278 L347	A198-N202 PolarHBondContact O-N 3.06Å; A198-N202 VanDerWaalsContact O-N 3.11Å; K199-N202 WeakPolarHBondContact O-CB 3.42Å; K199-N202 PolarHBondContact O-N 2.87Å; N202-G204 VanDerWaalsContact C-N 3.34Å; N202-G204 PolarHBondContact O-N 3.35Å; N202-Y205 WeakPolarHBondContact O-CB 3.34Å; N202-Y205 PolarHBondContact O-N 3.33Å; N202-M206 PolarHBondContact O-N 2.98Å; N202-M206 VanDerWaalsContact O-N 3.09Å; N202-Y270 WeakPolarHBondContact CA-OH 3.27Å; N202-Y270 PolarHBondContact OD1-OH 3.4Å; N202-F276 PolarHBondContact ND2-O 3.37Å; N202-F276 PolarHBondContact OD1-N 2.92Å; N202-N278 PolarHBondContact ND2-OD1 3.34Å; N202-L347 HydrophobicContact CB-CD1 3.82Å; N202-L347 HydrophobicContact CB-CD2 3.93Å; N202-L347 HydrophobicContact CB-CG 4.41Å
203	V	98.9	Very high	97.3	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-58.1	-47.9	174.4	170.7	0	0	0	0	110.4	I186 K199 L200 Y205 M206 E207 L347 Y349 V365 V367	I186-V203 HydrophobicContact CG2-CB 4.06Å; I186-V203 HydrophobicContact CG2-CG1 3.76Å; K199-V203 WeakPolarHBondContact O-CG2 3.39Å; K199-V203 PolarHBondContact O-N 3.43Å; L200-V203 WeakPolarHBondContact O-CB 3.21Å; L200-V203 PolarHBondContact O-N 3.35Å; V203-Y205 VanDerWaalsContact C-N 3.3Å; V203-Y205 PolarHBondContact O-N 3.17Å; V203-M206 PolarHBondContact O-N 3.48Å; V203-M206 VanDerWaalsContact O-N 3.16Å; V203-E207 HydrophobicContact CG1-CG 4.06Å; V203-E207 WeakPolarHBondContact O-CG 3.29Å; V203-E207 PolarHBondContact O-N 3.31Å; V203-L347 HydrophobicContact CG2-CD1 4.11Å; V203-L347 HydrophobicContact CG2-CD2 4.4Å; V203-Y349 HydrophobicContact CG1-CD2 4.12Å; V203-Y349 HydrophobicContact CG1-CE2 3.96Å; V203-Y349 HydrophobicContact CG2-CD1 3.77Å; V203-Y349 HydrophobicContact CG2-CD2 4.08Å; V203-Y349 HydrophobicContact CG2-CE1 4.16Å; V203-Y349 HydrophobicContact CG2-CE2 4.43Å; V203-Y349 HydrophobicContact CG2-CG 3.73Å; V203-V365 HydrophobicContact CG1-CB 4.47Å; V203-V365 HydrophobicContact CG1-CG1 3.74Å; V203-V365 HydrophobicContact CG1-CG2 4.18Å; V203-V367 HydrophobicContact CG2-CG1 4.41Å
204	G	98.9	Very high	97.9	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-60.6	-38.6	179.3	0	0	0	0	0	113.4	I153 I186 L200 L201 N202 A208	I153-G204 VanDerWaalsContact CD1-C 3.45Å; I186-G204 VanDerWaalsContact CD1-CA 3.44Å; L200-G204 PolarHBondContact O-N 2.96Å; L201-G204 PolarHBondContact O-N 3.01Å; N202-G204 VanDerWaalsContact C-N 3.34Å; N202-G204 PolarHBondContact O-N 3.35Å; G204-A208 WeakPolarHBondContact O-CB 3.06Å; G204-A208 PolarHBondContact O-N 2.9Å
205	Y	98.8	Very high	98.1	Very high	5 Å²	5	30.3 Å²	30.3	2%	0.02	14%	0.142	C	C	.	.	H	α-helix	trans	-59.7	-49	173.6	173.3	-89.3	0	0	0	111.3	L201 N202 V203 L209 F217 Y270 L271 I344	L201-Y205 PolarHBondContact O-N 3.45Å; N202-Y205 WeakPolarHBondContact O-CB 3.34Å; N202-Y205 PolarHBondContact O-N 3.33Å; V203-Y205 VanDerWaalsContact C-N 3.3Å; V203-Y205 PolarHBondContact O-N 3.17Å; Y205-L209 HydrophobicContact CD1-CD1 4.17Å; Y205-L209 HydrophobicContact CE1-CD1 3.58Å; Y205-L209 HydrophobicContact CE2-CD1 4.09Å; Y205-L209 PolarHBondContact O-N 3.17Å; Y205-F217 AromaticContact CD2-CD1 3.51Å; Y205-F217 HydrophobicContact CD2-CD1 3.51Å; Y205-F217 AromaticContact CD2-CD2 3.77Å; Y205-F217 HydrophobicContact CD2-CD2 3.77Å; Y205-F217 AromaticContact CD2-CE1 3.47Å; Y205-F217 HydrophobicContact CD2-CE1 3.47Å; Y205-F217 VanDerWaalsContact CD2-CE1 3.47Å; Y205-F217 AromaticContact CD2-CE2 3.77Å; Y205-F217 HydrophobicContact CD2-CE2 3.77Å; Y205-F217 AromaticContact CD2-CG 3.66Å; Y205-F217 HydrophobicContact CD2-CG 3.66Å; Y205-F217 AromaticContact CD2-CZ 3.61Å; Y205-F217 HydrophobicContact CD2-CZ 3.61Å; Y205-F217 HydrophobicContact CE2-CD1 4.12Å; Y205-F217 AromaticContact CE2-CD2 3.63Å; Y205-F217 HydrophobicContact CE2-CD2 3.63Å; Y205-F217 AromaticContact CE2-CE1 3.81Å; Y205-F217 HydrophobicContact CE2-CE1 3.81Å; Y205-F217 AromaticContact CE2-CE2 3.32Å; Y205-F217 HydrophobicContact CE2-CE2 3.32Å; Y205-F217 HydrophobicContact CE2-CG 4.04Å; Y205-F217 AromaticContact CE2-CZ 3.41Å; Y205-F217 HydrophobicContact CE2-CZ 3.41Å; Y205-F217 VanDerWaalsContact CE2-CZ 3.41Å; Y205-F217 HydrophobicContact CG-CD1 4.38Å; Y205-F217 HydrophobicContact CG-CE1 4.24Å; Y205-Y270 AromaticContact CD1-CD1 3.96Å; Y205-Y270 HydrophobicContact CD1-CD1 3.96Å; Y205-Y270 AromaticContact CD1-CE1 3.71Å; Y205-Y270 HydrophobicContact CD1-CE1 3.71Å; Y205-Y270 AromaticContact CD2-CD1 3.34Å; Y205-Y270 HydrophobicContact CD2-CD1 3.34Å; Y205-Y270 AromaticContact CD2-CE1 3.49Å; Y205-Y270 HydrophobicContact CD2-CE1 3.49Å; Y205-Y270 VanDerWaalsContact CD2-CE1 3.49Å; Y205-Y270 HydrophobicContact CD2-CG 4Å; Y205-Y270 AromaticContact CE1-CD1 3.98Å; Y205-Y270 HydrophobicContact CE1-CD1 3.98Å; Y205-Y270 HydrophobicContact CE1-CE1 4.19Å; Y205-Y270 AromaticContact CE2-CD1 3.36Å; Y205-Y270 HydrophobicContact CE2-CD1 3.36Å; Y205-Y270 AromaticContact CE2-CE1 3.99Å; Y205-Y270 HydrophobicContact CE2-CE1 3.99Å; Y205-Y270 AromaticContact CE2-CG 3.95Å; Y205-Y270 HydrophobicContact CE2-CG 3.95Å; Y205-Y270 AromaticContact CG-CD1 3.66Å; Y205-Y270 HydrophobicContact CG-CD1 3.66Å; Y205-Y270 AromaticContact CG-CE1 3.35Å; Y205-Y270 HydrophobicContact CG-CE1 3.35Å; Y205-Y270 AromaticContact CZ-CD1 3.7Å; Y205-L271 HydrophobicContact CE1-CD2 4.48Å; Y205-L271 WeakPolarHBondContact OH-CG 3.42Å; Y205-I344 HydrophobicContact CD1-CD1 3.99Å; Y205-I344 HydrophobicContact CE1-CD1 3.86Å
206	M	98.7	Very high	98.3	Very high	68 Å²	68	29 Å²	29	34%	0.335	14%	0.136	S	C	.	.	H	α-helix	trans	-67.1	-42.8	-178.4	-70.8	-58.2	-65.8	0	0	112.7	N202 V203 I344 L347	N202-M206 PolarHBondContact O-N 2.98Å; N202-M206 VanDerWaalsContact O-N 3.09Å; V203-M206 PolarHBondContact O-N 3.48Å; V203-M206 VanDerWaalsContact O-N 3.16Å; M206-I344 HydrophobicContact CG-CG2 4.28Å; M206-I344 HydrophobicContact SD-CG2 3.65Å; M206-L347 HydrophobicContact CG-CD2 3.8Å
207	E	98.8	Very high	98.4	Very high	13 Å²	13	29 Å²	29	6%	0.061	14%	0.136	C	C	.	.	H	α-helix	trans	-74.4	-38.2	-178.5	-65.8	-60.7	143.2	0	0	112.5	V203 L209 K210 Y349 I363	V203-E207 HydrophobicContact CG1-CG 4.06Å; V203-E207 WeakPolarHBondContact O-CG 3.29Å; V203-E207 PolarHBondContact O-N 3.31Å; E207-L209 VanDerWaalsContact C-N 3.27Å; E207-L209 PolarHBondContact O-N 2.72Å; E207-K210 WeakPolarHBondContact O-CB 3.48Å; E207-K210 PolarHBondContact O-N 2.93Å; E207-K210 VanDerWaalsContact O-N 3.12Å; E207-K210 IonicContact OE1-NZ 3.06Å; E207-K210 PolarHBondContact OE1-NZ 3.47Å; E207-K210 WeakPolarHBondContact OE2-CD 3.42Å; E207-K210 IonicContact OE2-NZ 3.45Å; E207-K210 PolarHBondContact OE2-NZ 2.91Å; E207-K210 VanDerWaalsContact OE2-NZ 3.12Å; E207-Y349 HydrophobicContact CG-CE2 4.49Å; E207-Y349 WeakPolarHBondContact OE1-CE2 3.47Å; E207-Y349 VanDerWaalsContact OE1-CZ 3.32Å; E207-Y349 PolarHBondContact OE1-OH 3.21Å; E207-I363 HydrophobicContact CB-CD1 3.49Å; E207-I363 VanDerWaalsContact CB-CD1 3.49Å; E207-I363 HydrophobicContact CG-CD1 4.09Å; E207-I363 HydrophobicContact CG-CG2 4.25Å
208	A	98.6	Very high	98.5	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-61.2	-37.8	177	0	0	0	0	0	111.8	A151 Y184 G204 K210 E211 Y212 Y214	A151-A208 HydrophobicContact CB-CB 3.77Å; Y184-A208 HydrophobicContact CD1-CB 4.31Å; Y184-A208 HydrophobicContact CD2-CB 3.96Å; Y184-A208 HydrophobicContact CE1-CB 4.18Å; Y184-A208 HydrophobicContact CE2-CB 3.82Å; Y184-A208 HydrophobicContact CG-CB 4.21Å; G204-A208 WeakPolarHBondContact O-CB 3.06Å; G204-A208 PolarHBondContact O-N 2.9Å; A208-K210 VanDerWaalsContact C-N 3.25Å; A208-K210 PolarHBondContact O-N 3.22Å; A208-E211 PolarHBondContact O-N 2.92Å; A208-E211 VanDerWaalsContact O-N 3.12Å; A208-Y212 PolarHBondContact O-N 2.91Å; A208-Y212 VanDerWaalsContact O-N 3.16Å; A208-Y214 HydrophobicContact CB-CD2 4.03Å; A208-Y214 HydrophobicContact CB-CE2 4.06Å; A208-Y214 WeakPolarHBondContact O-CD2 3.3Å; A208-Y214 WeakPolarHBondContact O-CE2 3.3Å
209	L	98.5	Very high	98.5	Very high	45 Å²	45	27.8 Å²	27.8	24%	0.236	13%	0.131	C	C	.	.	H	α-helix	trans	-67.3	-20.4	177.3	-81.1	174.2	0	0	0	114.4	Y205 E207 E211 Y212 F217 K267	Y205-L209 HydrophobicContact CD1-CD1 4.17Å; Y205-L209 HydrophobicContact CE1-CD1 3.58Å; Y205-L209 HydrophobicContact CE2-CD1 4.09Å; Y205-L209 PolarHBondContact O-N 3.17Å; E207-L209 VanDerWaalsContact C-N 3.27Å; E207-L209 PolarHBondContact O-N 2.72Å; L209-E211 VanDerWaalsContact C-N 3.31Å; L209-Y212 WeakPolarHBondContact CA-O 3.24Å; L209-F217 HydrophobicContact CD1-CZ 3.98Å; L209-F217 HydrophobicContact CD2-CE1 4.48Å; L209-F217 HydrophobicContact CD2-CZ 3.79Å; L209-F217 HydrophobicContact CG-CE1 4.07Å; L209-F217 HydrophobicContact CG-CZ 3.72Å; L209-K267 HydrophobicContact CD2-CD 4.46Å
210	K	98.1	Very high	98.5	Very high	133 Å²	133	27 Å²	27	58%	0.578	13%	0.128	S	C	*	.	H	α-helix	trans	-74.4	-26.3	172.6	-62.6	174.8	-171	173.6	0	112.2	E207 A208	E207-K210 WeakPolarHBondContact O-CB 3.48Å; E207-K210 PolarHBondContact O-N 2.93Å; E207-K210 VanDerWaalsContact O-N 3.12Å; E207-K210 IonicContact OE1-NZ 3.06Å; E207-K210 PolarHBondContact OE1-NZ 3.47Å; E207-K210 WeakPolarHBondContact OE2-CD 3.42Å; E207-K210 IonicContact OE2-NZ 3.45Å; E207-K210 PolarHBondContact OE2-NZ 2.91Å; E207-K210 VanDerWaalsContact OE2-NZ 3.12Å; A208-K210 VanDerWaalsContact C-N 3.25Å; A208-K210 PolarHBondContact O-N 3.22Å
211	E	96.7	Very high	98.5	Very high	77 Å²	77	28.4 Å²	28.4	36%	0.36	14%	0.135	S	C	.	.	H	α-helix	trans	-90.1	-35.1	-176.2	-72.9	-73.4	166.2	0	0	112.6	Y184 A208 L209 K356	Y184-E211 HydrophobicContact CE1-CB 4.46Å; Y184-E211 HydrophobicContact CE1-CG 4.28Å; Y184-E211 WeakPolarHBondContact OH-CB 3.33Å; A208-E211 PolarHBondContact O-N 2.92Å; A208-E211 VanDerWaalsContact O-N 3.12Å; L209-E211 VanDerWaalsContact C-N 3.31Å; E211-K356 VanDerWaalsContact CD-NZ 3.27Å; E211-K356 VanDerWaalsContact OE1-CE 3.23Å; E211-K356 WeakPolarHBondContact OE1-CE 3.49Å; E211-K356 IonicContact OE1-NZ 3.36Å; E211-K356 PolarHBondContact OE1-NZ 3.32Å; E211-K356 VanDerWaalsContact OE1-NZ 3.08Å; E211-K356 WeakPolarHBondContact OE2-CE 3.36Å; E211-K356 IonicContact OE2-NZ 3.32Å; E211-K356 PolarHBondContact OE2-NZ 2.91Å
212	Y	98.1	Very high	98.5	Very high	79 Å²	79	29 Å²	29	31%	0.31	14%	0.139	S	C	.	.	S	Bend	trans	-159.1	151.9	-178.6	-161.1	-129.9	0	0	0	111	R138 K149 D180 A208 L209 Y214	R138-Y212 VanDerWaalsContact NH2-CE1 3.33Å; K149-Y212 HydrophobicContact CB-CD1 4.47Å; K149-Y212 HydrophobicContact CB-CE1 4.13Å; K149-Y212 HydrophobicContact CD-CD1 4.27Å; K149-Y212 HydrophobicContact CD-CE1 3.49Å; K149-Y212 VanDerWaalsContact CD-CE1 3.49Å; K149-Y212 HydrophobicContact CG-CE1 3.77Å; D180-Y212 PolarHBondContact OD2-OH 3.21Å; A208-Y212 PolarHBondContact O-N 2.91Å; A208-Y212 VanDerWaalsContact O-N 3.16Å; L209-Y212 WeakPolarHBondContact CA-O 3.24Å; Y212-Y214 HydrophobicContact CD1-CD1 4.01Å; Y212-Y214 AromaticContact CD1-CE1 3.77Å; Y212-Y214 HydrophobicContact CD1-CE1 3.77Å; Y212-Y214 HydrophobicContact CD1-CE2 4.44Å; Y212-Y214 HydrophobicContact CD1-CG 4.45Å; Y212-Y214 VanDerWaalsContact O-CD2 3.31Å; Y212-Y214 WeakPolarHBondContact O-CD2 3.24Å; Y212-Y214 PolarHBondContact O-N 2.94Å
213	D	97.9	Very high	98.4	Very high	90 Å²	90	29.7 Å²	29.7	48%	0.481	14%	0.143	S	C	.	.			trans	-77.3	69.7	177.1	179.9	45.3	0	0	0	110.8	K149 K267	K149-D213 WeakPolarHBondContact CD-O 3.49Å; K149-D213 WeakPolarHBondContact CE-O 3.27Å; K149-D213 PolarHBondContact NZ-O 3.37Å; K149-D213 IonicContact NZ-OD2 2.64Å; K149-D213 PolarHBondContact NZ-OD2 2.88Å; D213-K267 IonicContact OD1-NZ 2.77Å; D213-K267 PolarHBondContact OD1-NZ 2.89Å
214	Y	98.8	Very high	98.4	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.143	C	C	.	.			trans	-66.9	140.4	174.6	-63.9	-75.4	0	0	0	111.1	R138 K149 V150 A151 Y184 A208 Y212	R138-Y214 WeakPolarHBondContact CD-OH 3.36Å; R138-Y214 PolarHBondContact NE-OH 3.45Å; R138-Y214 PolarHBondContact NH1-OH 3.5Å; K149-Y214 HydrophobicContact CB-CD1 4.12Å; V150-Y214 WeakPolarHBondContact O-CE1 3.34Å; A151-Y214 HydrophobicContact CB-CD1 3.99Å; A151-Y214 HydrophobicContact CB-CD2 3.79Å; A151-Y214 HydrophobicContact CB-CE1 4.31Å; A151-Y214 HydrophobicContact CB-CE2 4.09Å; A151-Y214 HydrophobicContact CB-CG 3.72Å; Y184-Y214 AromaticContact CE2-CE2 3.7Å; Y184-Y214 HydrophobicContact CE2-CE2 3.7Å; Y184-Y214 AromaticContact CE2-CZ 3.7Å; Y184-Y214 WeakPolarHBondContact CE2-OH 3.41Å; Y184-Y214 AromaticContact CZ-CE2 3.78Å; Y184-Y214 AromaticContact CZ-CZ 3.99Å; Y184-Y214 VanDerWaalsContact OH-CE2 3.22Å; Y184-Y214 WeakPolarHBondContact OH-CE2 3.37Å; Y184-Y214 PolarHBondContact OH-OH 2.8Å; A208-Y214 HydrophobicContact CB-CD2 4.03Å; A208-Y214 HydrophobicContact CB-CE2 4.06Å; A208-Y214 WeakPolarHBondContact O-CD2 3.3Å; A208-Y214 WeakPolarHBondContact O-CE2 3.3Å; Y212-Y214 HydrophobicContact CD1-CD1 4.01Å; Y212-Y214 AromaticContact CD1-CE1 3.77Å; Y212-Y214 HydrophobicContact CD1-CE1 3.77Å; Y212-Y214 HydrophobicContact CD1-CE2 4.44Å; Y212-Y214 HydrophobicContact CD1-CG 4.45Å; Y212-Y214 VanDerWaalsContact O-CD2 3.31Å; Y212-Y214 WeakPolarHBondContact O-CD2 3.24Å; Y212-Y214 PolarHBondContact O-N 2.94Å
215	D	97.5	Very high	98.4	Very high	57 Å²	57	29.7 Å²	29.7	31%	0.305	14%	0.143	S	C	.	.	S	Bend	trans	-108	-12.9	176.5	55.1	22.9	0	0	0	112.6	K149 S266 K267	K149-D215 PolarHBondContact N-OD1 2.92Å; K149-D215 PolarHBondContact O-N 3.17Å; K149-D215 VanDerWaalsContact O-N 3.1Å; D215-S266 WeakPolarHBondContact O-CA 3.37Å; D215-K267 PolarHBondContact O-N 3.22Å
216	C	98.8	Very high	98.4	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	139.7	179.6	177	0	0	0	0	112	K149 V150 A151 R234 C235	K149-C216 PolarHBondContact O-N 2.65Å; K149-C216 VanDerWaalsContact O-N 3.11Å; V150-C216 CarbonylContact C-O 3.55Å; V150-C216 WeakPolarHBondContact CA-O 3.31Å; V150-C216 HydrophobicContact CG2-CB 4.09Å; A151-C216 PolarHBondContact N-O 3.01Å; C216-R234 VanDerWaalsContact SG-C 3.53Å; C216-C235 WeakPolarHBondContact CA-SG 3.39Å; C216-C235 HydrophobicContact CB-CB 3.71Å; C216-C235 WeakPolarHBondContact CB-SG 3.45Å; C216-C235 VanDerWaalsContact SG-CA 3.6Å; C216-C235 WeakPolarHBondContact SG-CB 3.35Å; C216-C235 PolarHBondContact SG-N 3.41Å; C216-C235 CovalentContact SG-SG 2.03Å; C216-C235 PolarHBondContact SG-SG 2.71Å
217	F	98.9	Very high	98.4	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	122.5	179.8	-58.4	-92.1	0	0	0	109.5	A151 I153 Y205 L209 F219 S264 M265 K267	A151-F217 HydrophobicContact CB-CD1 3.8Å; A151-F217 HydrophobicContact CB-CE1 4.06Å; A151-F217 WeakPolarHBondContact O-CA 3.36Å; I153-F217 HydrophobicContact CD1-CB 4.44Å; I153-F217 HydrophobicContact CD1-CD1 3.85Å; Y205-F217 AromaticContact CD2-CD1 3.51Å; Y205-F217 HydrophobicContact CD2-CD1 3.51Å; Y205-F217 AromaticContact CD2-CD2 3.77Å; Y205-F217 HydrophobicContact CD2-CD2 3.77Å; Y205-F217 AromaticContact CD2-CE1 3.47Å; Y205-F217 HydrophobicContact CD2-CE1 3.47Å; Y205-F217 VanDerWaalsContact CD2-CE1 3.47Å; Y205-F217 AromaticContact CD2-CE2 3.77Å; Y205-F217 HydrophobicContact CD2-CE2 3.77Å; Y205-F217 AromaticContact CD2-CG 3.66Å; Y205-F217 HydrophobicContact CD2-CG 3.66Å; Y205-F217 AromaticContact CD2-CZ 3.61Å; Y205-F217 HydrophobicContact CD2-CZ 3.61Å; Y205-F217 HydrophobicContact CE2-CD1 4.12Å; Y205-F217 AromaticContact CE2-CD2 3.63Å; Y205-F217 HydrophobicContact CE2-CD2 3.63Å; Y205-F217 AromaticContact CE2-CE1 3.81Å; Y205-F217 HydrophobicContact CE2-CE1 3.81Å; Y205-F217 AromaticContact CE2-CE2 3.32Å; Y205-F217 HydrophobicContact CE2-CE2 3.32Å; Y205-F217 HydrophobicContact CE2-CG 4.04Å; Y205-F217 AromaticContact CE2-CZ 3.41Å; Y205-F217 HydrophobicContact CE2-CZ 3.41Å; Y205-F217 VanDerWaalsContact CE2-CZ 3.41Å; Y205-F217 HydrophobicContact CG-CD1 4.38Å; Y205-F217 HydrophobicContact CG-CE1 4.24Å; L209-F217 HydrophobicContact CD1-CZ 3.98Å; L209-F217 HydrophobicContact CD2-CE1 4.48Å; L209-F217 HydrophobicContact CD2-CZ 3.79Å; L209-F217 HydrophobicContact CG-CE1 4.07Å; L209-F217 HydrophobicContact CG-CZ 3.72Å; F217-F219 HydrophobicContact CB-CE1 4.21Å; F217-F219 HydrophobicContact CB-CE2 3.93Å; F217-F219 HydrophobicContact CB-CZ 3.58Å; F217-F219 HydrophobicContact CG-CZ 4.47Å; F217-S264 CarbonylContact O-C 3.42Å; F217-S264 WeakPolarHBondContact O-CA 3.49Å; F217-S264 VanDerWaalsContact O-CB 3.29Å; F217-S264 WeakPolarHBondContact O-CB 3.26Å; F217-M265 PolarHBondContact N-O 2.97Å; F217-M265 PolarHBondContact O-N 3Å; F217-K267 HydrophobicContact CE2-CB 3.92Å; F217-K267 HydrophobicContact CE2-CG 4.19Å
218	V	98.9	Very high	98.4	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	122.4	172.1	176.8	0	0	0	0	107.8	V150 A151 V152 I153 Y233 L242 V262 S263	V150-V218 HydrophobicContact CG1-CB 4.37Å; V150-V218 HydrophobicContact CG1-CG2 3.58Å; A151-V218 PolarHBondContact O-N 2.91Å; V152-V218 CarbonylContact C-O 3.54Å; V152-V218 WeakPolarHBondContact CA-O 3.38Å; V152-V218 HydrophobicContact CG1-CB 4.39Å; V152-V218 HydrophobicContact CG1-CG1 4.33Å; V152-V218 HydrophobicContact CG2-CB 4.3Å; I153-V218 PolarHBondContact N-O 3.09Å; V218-Y233 HydrophobicContact CG1-CD1 3.81Å; V218-Y233 HydrophobicContact CG1-CE1 4.31Å; V218-L242 HydrophobicContact CG1-CD1 4.04Å; V218-V262 HydrophobicContact CG1-CG1 4.04Å; V218-S263 CarbonylContact C-O 3.58Å; V218-S263 WeakPolarHBondContact CA-O 3.38Å
219	F	98.9	Very high	98.4	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	112.8	176.1	-51.2	-77.1	0	0	0	107.9	I153 L201 F217 V262 S263 M265 Y270 F276	I153-F219 HydrophobicContact CB-CD1 4.12Å; I153-F219 HydrophobicContact CD1-CD1 4.04Å; I153-F219 HydrophobicContact CD1-CE1 3.63Å; I153-F219 HydrophobicContact CG2-CD1 4.36Å; L201-F219 HydrophobicContact CB-CD1 3.89Å; L201-F219 HydrophobicContact CB-CE1 4.31Å; L201-F219 HydrophobicContact CD1-CB 4.14Å; L201-F219 HydrophobicContact CD1-CD1 4.42Å; L201-F219 HydrophobicContact CD1-CG 4.49Å; L201-F219 HydrophobicContact CD2-CB 4.05Å; L201-F219 HydrophobicContact CD2-CD1 3.96Å; L201-F219 HydrophobicContact CD2-CG 4.46Å; L201-F219 HydrophobicContact CG-CD1 4.27Å; F217-F219 HydrophobicContact CB-CE1 4.21Å; F217-F219 HydrophobicContact CB-CE2 3.93Å; F217-F219 HydrophobicContact CB-CZ 3.58Å; F217-F219 HydrophobicContact CG-CZ 4.47Å; F219-V262 VanDerWaalsContact O-CA 3.29Å; F219-V262 WeakPolarHBondContact O-CA 3.19Å; F219-S263 PolarHBondContact N-O 3.37Å; F219-S263 PolarHBondContact O-N 2.72Å; F219-M265 HydrophobicContact CD2-CE 4.11Å; F219-M265 HydrophobicContact CE2-CB 4.35Å; F219-M265 HydrophobicContact CE2-CE 3.95Å; F219-Y270 AromaticContact CE1-CE2 3.88Å; F219-Y270 HydrophobicContact CE1-CE2 3.88Å; F219-Y270 AromaticContact CE2-CD2 3.84Å; F219-Y270 HydrophobicContact CE2-CD2 3.84Å; F219-Y270 AromaticContact CE2-CE2 3.69Å; F219-Y270 HydrophobicContact CE2-CE2 3.69Å; F219-Y270 AromaticContact CZ-CD2 3.54Å; F219-Y270 HydrophobicContact CZ-CD2 3.54Å; F219-Y270 AromaticContact CZ-CE2 3.15Å; F219-Y270 HydrophobicContact CZ-CE2 3.15Å; F219-Y270 HydrophobicContact CZ-CG 4.42Å; F219-Y270 AromaticContact CZ-CZ 3.76Å; F219-F276 HydrophobicContact CD1-CE2 4.01Å; F219-F276 AromaticContact CD2-CE2 3.98Å; F219-F276 HydrophobicContact CD2-CE2 3.98Å; F219-F276 AromaticContact CD2-CZ 3.76Å; F219-F276 HydrophobicContact CD2-CZ 3.76Å; F219-F276 HydrophobicContact CE1-CE2 4.15Å; F219-F276 HydrophobicContact CE2-CE2 4.16Å; F219-F276 AromaticContact CE2-CZ 3.79Å; F219-F276 HydrophobicContact CE2-CZ 3.79Å; F219-F276 AromaticContact CG-CE2 3.9Å; F219-F276 HydrophobicContact CG-CE2 3.9Å; F219-F276 HydrophobicContact CG-CZ 4.17Å; F219-F276 HydrophobicContact CZ-CE2 4.24Å; F219-F276 HydrophobicContact CZ-CZ 4.21Å
220	S	98.8	Very high	98.4	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	126.8	-172.7	-174.3	0	0	0	0	111.1	I153 P155 W166	I153-S220 PolarHBondContact O-N 3.1Å; P155-S220 VanDerWaalsContact CD-O 3.27Å; P155-S220 WeakPolarHBondContact CD-O 3.3Å; W166-S220 PolarHBondContact NE1-OG 3.06Å
221	D	98.3	Very high	98.4	Very high	29 Å²	29	25.1 Å²	25.1	16%	0.155	12%	0.117	C	C	.	.			trans	-61.4	141	161.1	-66.2	-13.8	0	0	0	109.8	R197 D223 L224 G261	R197-D221 IonicContact CZ-OD1 2.97Å; R197-D221 IonicContact NE-OD1 3.94Å; R197-D221 PolarHBondContact NE-OD1 3.42Å; R197-D221 IonicContact NE-OD2 2.69Å; R197-D221 IonicContact NH2-OD1 3.29Å; R197-D221 PolarHBondContact NH2-OD1 3.46Å; D221-D223 WeakPolarHBondContact CB-OD1 3.44Å; D221-D223 PolarHBondContact O-N 3.26Å; D221-L224 HydrophobicContact CB-CD1 4.16Å; D221-L224 HydrophobicContact CB-CG 4.31Å; D221-L224 PolarHBondContact O-N 2.89Å; D221-G261 PolarHBondContact N-O 3.27Å; D221-G261 VanDerWaalsContact N-O 3.1Å; D221-G261 WeakPolarHBondContact OD2-CA 3.45Å
222	V	98.4	Very high	98.4	Very high	12 Å²	12	22.8 Å²	22.8	7%	0.073	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-17.7	-175.9	71.4	0	0	0	0	113	I154 F156 R159 H162 L163 W166	I154-V222 HydrophobicContact CG2-CB 3.64Å; I154-V222 HydrophobicContact CG2-CG2 3.99Å; F156-V222 HydrophobicContact CD2-CG2 4.22Å; F156-V222 HydrophobicContact CE2-CG2 4.39Å; R159-V222 HydrophobicContact CB-CG1 3.95Å; R159-V222 HydrophobicContact CG-CG1 4.24Å; H162-V222 HydrophobicContact CB-CG1 4.13Å; H162-V222 HydrophobicContact CB-CG2 4.21Å; L163-V222 HydrophobicContact CB-CG2 3.92Å; L163-V222 HydrophobicContact CD1-CG2 4.14Å; W166-V222 HydrophobicContact CB-CG2 4.36Å
223	D	97.6	Very high	98.4	Very high	15 Å²	15	19 Å²	19	8%	0.08	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	4.5	-175.7	65	-4.1	0	0	0	113.8	D221 M313 I314 H316	D221-D223 WeakPolarHBondContact CB-OD1 3.44Å; D221-D223 PolarHBondContact O-N 3.26Å; D223-M313 CarbonylContact O-C 3.52Å; D223-M313 VanDerWaalsContact O-CA 3.24Å; D223-M313 WeakPolarHBondContact O-CA 3.46Å; D223-M313 WeakPolarHBondContact OD2-CE 3.43Å; D223-I314 HydrophobicContact CB-CB 4.07Å; D223-I314 PolarHBondContact O-N 3.23Å; D223-H316 IonicContact OD2-CD2 2.76Å; D223-H316 IonicContact OD2-NE2 3.67Å; D223-H316 PolarHBondContact OD2-NE2 3.28Å
224	L	98.4	Very high	98.4	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	120	179.6	-69.6	177.7	0	0	0	112	D221 M246 V262 M313	D221-L224 HydrophobicContact CB-CD1 4.16Å; D221-L224 HydrophobicContact CB-CG 4.31Å; D221-L224 PolarHBondContact O-N 2.89Å; L224-M246 HydrophobicContact CD1-SD 3.93Å; L224-M246 HydrophobicContact CD2-CG 4.13Å; L224-M246 HydrophobicContact CD2-SD 3.78Å; L224-V262 HydrophobicContact CB-CG2 3.86Å; L224-V262 HydrophobicContact CD1-CG2 3.96Å; L224-M313 HydrophobicContact CD2-CB 3.92Å; L224-M313 HydrophobicContact CD2-CG 4.12Å
225	I	98.6	Very high	98.4	Very high	1 Å²	1	16.8 Å²	16.8	1%	0.005	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	129.5	-179.4	-51.1	-56.4	0	0	0	109.8	V115 F117 W166 Y169 L170 C311 R312	V115-I225 HydrophobicContact CG1-CB 3.91Å; V115-I225 HydrophobicContact CG1-CG1 4.41Å; V115-I225 HydrophobicContact CG1-CG2 3.71Å; V115-I225 HydrophobicContact CG2-CG2 3.92Å; F117-I225 HydrophobicContact CE1-CG1 3.88Å; F117-I225 HydrophobicContact CZ-CG1 4.07Å; W166-I225 HydrophobicContact CB-CD1 4.13Å; W166-I225 HydrophobicContact CG-CD1 4.26Å; Y169-I225 VanDerWaalsContact CB-CG2 3.45Å; Y169-I225 HydrophobicContact CD1-CG2 4.29Å; Y169-I225 HydrophobicContact CD2-CD1 4.46Å; Y169-I225 HydrophobicContact CD2-CG1 4.24Å; Y169-I225 HydrophobicContact CD2-CG2 3.78Å; Y169-I225 HydrophobicContact CG-CG2 3.58Å; L170-I225 HydrophobicContact CD2-CD1 3.82Å; L170-I225 HydrophobicContact CD2-CG2 4.19Å; I225-C311 CarbonylContact O-C 3.47Å; I225-C311 WeakPolarHBondContact O-CA 3.07Å; I225-R312 PolarHBondContact N-O 3.47Å; I225-R312 PolarHBondContact O-N 3.26Å
226	P	98.5	Very high	98.4	Very high	1 Å²	1	16.8 Å²	16.8	1%	0.006	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	142.4	176.1	31.2	-33.4	0	0	0	110.6	L170 Y233	L170-P226 HydrophobicContact CD1-CG 3.78Å; L170-P226 HydrophobicContact CD2-CG 4.36Å; P226-Y233 HydrophobicContact CB-CE2 3.96Å; P226-Y233 WeakPolarHBondContact CD-OH 3.07Å; P226-Y233 HydrophobicContact CG-CE2 3.82Å
227	M	98.7	Very high	98.4	Very high	41 Å²	41	22.1 Å²	22.1	20%	0.202	11%	0.113	C	C	.	.	S	Bend	trans	-99.6	6.8	178.1	-60.9	-179.8	65.1	0	0	112.6	P112 L113 V115 F251 K310 R312	P112-M227 CarbonylContact C-O 3.52Å; P112-M227 WeakPolarHBondContact CA-O 3.48Å; L113-M227 PolarHBondContact N-O 3.27Å; V115-M227 HydrophobicContact CG2-CG 4.18Å; M227-F251 HydrophobicContact SD-CE1 3.76Å; M227-F251 HydrophobicContact SD-CZ 4.11Å; M227-K310 HydrophobicContact CB-CB 3.97Å; M227-K310 HydrophobicContact CG-CB 4.38Å; M227-K310 PolarHBondContact N-O 3.02Å; M227-K310 HydrophobicContact SD-CB 4.12Å; M227-R312 HydrophobicContact CG-CB 4.14Å; M227-R312 HydrophobicContact SD-CB 4.04Å
228	D	98.6	Very high	98.4	Very high	4 Å²	4	24.8 Å²	24.8	2%	0.021	13%	0.125	C	C	.	.	B	Isolated β-bridge	trans	-154.6	122.9	179.2	-161.9	-53	0	0	0	109.6	G111 R230 N231	G111-D228 WeakPolarHBondContact CA-OD1 3.3Å; G111-D228 WeakPolarHBondContact O-CA 3.32Å; D228-R230 PolarHBondContact O-N 3.21Å; D228-R230 WeakPolarHBondContact OD1-CB 3.27Å; D228-R230 VanDerWaalsContact OD1-CG 3.28Å; D228-R230 WeakPolarHBondContact OD1-CG 3.25Å; D228-R230 IonicContact OD1-CZ 3.51Å; D228-R230 PolarHBondContact OD1-N 3.46Å; D228-R230 IonicContact OD1-NE 2.94Å; D228-R230 PolarHBondContact OD1-NE 2.85Å; D228-R230 IonicContact OD1-NH2 3.4Å; D228-R230 IonicContact OD2-CZ 3.2Å; D228-R230 VanDerWaalsContact OD2-CZ 3.32Å; D228-R230 IonicContact OD2-NE 3.79Å; D228-R230 PolarHBondContact OD2-NE 3.16Å; D228-R230 IonicContact OD2-NH2 2.86Å; D228-R230 PolarHBondContact OD2-NH2 3.09Å; D228-N231 WeakPolarHBondContact O-CB 3.27Å; D228-N231 PolarHBondContact O-N 3.35Å
229	D	98.6	Very high	98.4	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-6.1	-177.6	67.6	7.9	0	0	0	114.2	L109 V110 G111 L113 V173 R176 Q177 N231	L109-D229 HydrophobicContact CD2-CB 4.33Å; L109-D229 WeakPolarHBondContact CD2-O 3.24Å; V110-D229 VanDerWaalsContact CG2-OD2 3.29Å; V110-D229 WeakPolarHBondContact CG2-OD2 3.35Å; V110-D229 PolarHBondContact N-OD1 3.23Å; V110-D229 VanDerWaalsContact N-OD1 3.09Å; V110-D229 PolarHBondContact N-OD2 2.89Å; G111-D229 WeakPolarHBondContact CA-OD1 3.48Å; G111-D229 PolarHBondContact N-OD1 3.3Å; G111-D229 PolarHBondContact O-N 3.42Å; G111-D229 VanDerWaalsContact O-N 3.13Å; L113-D229 HydrophobicContact CD1-CB 4.34Å; V173-D229 HydrophobicContact CG1-CB 3.98Å; V173-D229 HydrophobicContact CG2-CB 4.22Å; R176-D229 IonicContact CZ-OD2 3.37Å; R176-D229 IonicContact NE-OD2 3.89Å; R176-D229 PolarHBondContact NE-OD2 2.78Å; R176-D229 IonicContact NH2-OD2 3.12Å; R176-D229 PolarHBondContact NH2-OD2 3.36Å; Q177-D229 PolarHBondContact NE2-O 3Å; D229-N231 PolarHBondContact O-N 3.33Å
230	R	98.4	Very high	98.4	Very high	122 Å²	122	26 Å²	26	46%	0.46	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-13.1	166.7	-58.1	171.9	-66.7	175.9	0.6	112.2	L109 D228 T232 V308	L109-R230 HydrophobicContact CD1-CG 4.33Å; D228-R230 PolarHBondContact O-N 3.21Å; D228-R230 WeakPolarHBondContact OD1-CB 3.27Å; D228-R230 VanDerWaalsContact OD1-CG 3.28Å; D228-R230 WeakPolarHBondContact OD1-CG 3.25Å; D228-R230 IonicContact OD1-CZ 3.51Å; D228-R230 PolarHBondContact OD1-N 3.46Å; D228-R230 IonicContact OD1-NE 2.94Å; D228-R230 PolarHBondContact OD1-NE 2.85Å; D228-R230 IonicContact OD1-NH2 3.4Å; D228-R230 IonicContact OD2-CZ 3.2Å; D228-R230 VanDerWaalsContact OD2-CZ 3.32Å; D228-R230 IonicContact OD2-NE 3.79Å; D228-R230 PolarHBondContact OD2-NE 3.16Å; D228-R230 IonicContact OD2-NH2 2.86Å; D228-R230 PolarHBondContact OD2-NH2 3.09Å; R230-T232 PolarHBondContact O-N 3.42Å; R230-T232 VanDerWaalsContact O-N 3.1Å; R230-V308 VanDerWaalsContact C-CG1 3.49Å; R230-V308 HydrophobicContact CB-CG1 3.91Å; R230-V308 HydrophobicContact CB-CG2 4.48Å
231	N	98.3	Very high	98.4	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.13	C	C	.	.	S	Bend	trans	-78.2	85.3	167.7	-165.4	13.2	0	0	0	109.5	Q177 D228 D229 Y233 L242 V308	Q177-N231 PolarHBondContact NE2-O 3.12Å; D228-N231 WeakPolarHBondContact O-CB 3.27Å; D228-N231 PolarHBondContact O-N 3.35Å; D229-N231 PolarHBondContact O-N 3.33Å; N231-Y233 VanDerWaalsContact O-CD2 3.3Å; N231-Y233 WeakPolarHBondContact O-CD2 3.4Å; N231-Y233 PolarHBondContact O-N 3.12Å; N231-L242 PolarHBondContact ND2-O 3.34Å; N231-L242 WeakPolarHBondContact OD1-CD2 3.5Å; N231-V308 HydrophobicContact CB-CG1 3.81Å; N231-V308 VanDerWaalsContact N-CG1 3.33Å
232	T	97.6	Very high	98.3	Very high	28 Å²	28	24.6 Å²	24.6	17%	0.172	12%	0.123	C	C	.	.			trans	-69.9	125.1	-172.6	-42.7	0	0	0	0	112.9	Q177 L179 R230 R234 L242	Q177-T232 HydrophobicContact CB-CG2 4.21Å; Q177-T232 HydrophobicContact CG-CG2 4.16Å; L179-T232 HydrophobicContact CD2-CG2 4.48Å; R230-T232 PolarHBondContact O-N 3.42Å; R230-T232 VanDerWaalsContact O-N 3.1Å; T232-R234 HydrophobicContact CG2-CB 4.13Å; T232-R234 HydrophobicContact CG2-CG 3.71Å; T232-R234 PolarHBondContact O-N 3.39Å; T232-L242 WeakPolarHBondContact O-CD2 3.28Å
233	Y	98.5	Very high	98.3	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.119	C	C	.	.			trans	-81	63.2	179.7	-84	-128.5	0	0	0	110.5	L170 L174 L179 V218 P226 N231 L242 V262	L170-Y233 HydrophobicContact CD1-CD1 4.15Å; L170-Y233 HydrophobicContact CD1-CE1 3.7Å; L170-Y233 HydrophobicContact CD1-CE2 4.3Å; L174-Y233 VanDerWaalsContact CD2-CB 3.46Å; L174-Y233 HydrophobicContact CD2-CD1 4.11Å; L174-Y233 HydrophobicContact CD2-CG 3.89Å; L179-Y233 WeakPolarHBondContact CD1-O 3.49Å; V218-Y233 HydrophobicContact CG1-CD1 3.81Å; V218-Y233 HydrophobicContact CG1-CE1 4.31Å; P226-Y233 HydrophobicContact CB-CE2 3.96Å; P226-Y233 WeakPolarHBondContact CD-OH 3.07Å; P226-Y233 HydrophobicContact CG-CE2 3.82Å; N231-Y233 VanDerWaalsContact O-CD2 3.3Å; N231-Y233 WeakPolarHBondContact O-CD2 3.4Å; N231-Y233 PolarHBondContact O-N 3.12Å; Y233-L242 HydrophobicContact CD1-CD1 4.46Å; Y233-L242 HydrophobicContact CD2-CD1 4.45Å; Y233-L242 HydrophobicContact CG-CD1 4.3Å; Y233-V262 HydrophobicContact CE1-CG1 3.89Å
234	R	97.7	Very high	98.1	Very high	42 Å²	42	24 Å²	24	16%	0.158	12%	0.119	C	C	.	.	S	Bend	trans	-138.3	-178.2	-179.7	79.3	175.7	172	116.7	-22.8	111	E104 Q148 L179 C216 T232 F236 S264	E104-R234 PolarHBondContact O-NH2 3Å; E104-R234 IonicContact OE2-CZ 2.72Å; E104-R234 IonicContact OE2-NH1 3.81Å; E104-R234 IonicContact OE2-NH2 3.19Å; E104-R234 PolarHBondContact OE2-NH2 3.22Å; Q148-R234 VanDerWaalsContact OE1-CB 3.25Å; L179-R234 HydrophobicContact CD2-CB 4.08Å; C216-R234 VanDerWaalsContact SG-C 3.53Å; T232-R234 HydrophobicContact CG2-CB 4.13Å; T232-R234 HydrophobicContact CG2-CG 3.71Å; T232-R234 PolarHBondContact O-N 3.39Å; R234-F236 HydrophobicContact CG-CE2 4.01Å; R234-F236 HydrophobicContact CG-CZ 4.14Å; R234-S264 PolarHBondContact O-OG 3.47Å
235	C	98.6	Very high	98	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.007	12%	0.12	C	C	.	.			trans	-103.7	153.4	-176.5	-65.2	0	0	0	0	111.2	Q148 C216 M265	Q148-C235 PolarHBondContact NE2-O 3.27Å; Q148-C235 PolarHBondContact OE1-O 2.6Å; Q148-C235 VanDerWaalsContact OE1-O 3.11Å; C216-C235 WeakPolarHBondContact CA-SG 3.39Å; C216-C235 HydrophobicContact CB-CB 3.71Å; C216-C235 WeakPolarHBondContact CB-SG 3.45Å; C216-C235 VanDerWaalsContact SG-CA 3.6Å; C216-C235 WeakPolarHBondContact SG-CB 3.35Å; C216-C235 PolarHBondContact SG-N 3.41Å; C216-C235 CovalentContact SG-SG 2.03Å; C216-C235 PolarHBondContact SG-SG 2.71Å; C235-M265 PolarHBondContact SG-O 3.33Å
236	F	98.3	Very high	97.9	Very high	56 Å²	56	24.1 Å²	24.1	25%	0.246	12%	0.12	C	C	.	.			trans	-127.4	175.5	-176.5	-66	-96.6	0	0	0	110	R234 Q238 R240 Q269	R234-F236 HydrophobicContact CG-CE2 4.01Å; R234-F236 HydrophobicContact CG-CZ 4.14Å; F236-Q238 PolarHBondContact O-N 2.93Å; F236-Q238 VanDerWaalsContact O-N 3.13Å; F236-R240 HydrophobicContact CD2-CB 3.86Å; F236-R240 HydrophobicContact CD2-CG 3.63Å; F236-R240 HydrophobicContact CE2-CG 3.84Å; F236-Q269 PolarHBondContact O-NE2 3.19Å
237	S	97.9	Very high	97.6	Very high	112 Å²	112	25.6 Å²	25.6	78%	0.783	13%	0.128	S	C	*	.	S	Bend	trans	-57.6	-26.2	177	54.5	0	0	0	0	113.5	Q269	S237-Q269 VanDerWaalsContact C-NE2 3.27Å; S237-Q269 PolarHBondContact O-NE2 3.45Å
238	Q	98.6	Very high	97.3	Very high	56 Å²	56	27.9 Å²	27.9	26%	0.262	14%	0.137	S	C	.	.	S	Bend	trans	-120.6	150.2	173.7	-71	-64	-19.4	0	0	110	F236 R240 Q269 M299 S300	F236-Q238 PolarHBondContact O-N 2.93Å; F236-Q238 VanDerWaalsContact O-N 3.13Å; Q238-R240 PolarHBondContact O-N 3.38Å; Q238-Q269 VanDerWaalsContact C-NE2 3.35Å; Q238-M299 VanDerWaalsContact OE1-CA 3.32Å; Q238-S300 WeakPolarHBondContact CB-O 3.37Å; Q238-S300 PolarHBondContact OE1-O 3.43Å
239	P	98.8	Very high	96.9	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.153	C	C	.	.			trans	-47.7	131.4	173.2	-23.4	27.6	0	0	0	111.1	F259 M265 L294 M299 S300 I301 S302	P239-F259 HydrophobicContact CB-CE2 4.47Å; P239-F259 HydrophobicContact CB-CZ 4.1Å; P239-M265 HydrophobicContact CB-CG 3.96Å; P239-M265 HydrophobicContact CG-CG 4.46Å; P239-L294 HydrophobicContact CB-CD1 3.75Å; P239-L294 HydrophobicContact CB-CD2 4Å; P239-L294 HydrophobicContact CB-CG 4.47Å; P239-L294 HydrophobicContact CG-CD1 4Å; P239-L294 HydrophobicContact CG-CD2 3.44Å; P239-L294 VanDerWaalsContact CG-CD2 3.44Å; P239-L294 HydrophobicContact CG-CG 4.21Å; P239-M299 HydrophobicContact CG-CB 3.91Å; P239-M299 HydrophobicContact CG-CG 4.41Å; P239-M299 HydrophobicContact CG-SD 3.8Å; P239-S300 WeakPolarHBondContact CD-O 3.29Å; P239-I301 HydrophobicContact CB-CD1 4.33Å; P239-S302 PolarHBondContact O-N 3.02Å
240	R	98.7	Very high	96.7	Very high	26 Å²	26	32.8 Å²	32.8	10%	0.098	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	129.1	-169.9	-178	69.7	170.5	-173.1	-4.1	110.1	F236 Q238 L242 S263 S264 S302 R303 A304	F236-R240 HydrophobicContact CD2-CB 3.86Å; F236-R240 HydrophobicContact CD2-CG 3.63Å; F236-R240 HydrophobicContact CE2-CG 3.84Å; Q238-R240 PolarHBondContact O-N 3.38Å; R240-L242 HydrophobicContact CG-CD2 3.68Å; R240-L242 HydrophobicContact CG-CG 3.98Å; R240-S263 CarbonylContact O-C 3.59Å; R240-S263 WeakPolarHBondContact O-CA 3.27Å; R240-S263 WeakPolarHBondContact O-CB 3.45Å; R240-S264 VanDerWaalsContact CB-OG 3.32Å; R240-S264 WeakPolarHBondContact CB-OG 3.29Å; R240-S264 PolarHBondContact N-O 2.91Å; R240-S264 PolarHBondContact O-N 2.76Å; R240-S302 WeakPolarHBondContact CA-O 3.44Å; R240-S302 WeakPolarHBondContact CD-O 3.42Å; R240-S302 WeakPolarHBondContact CD-OG 3.47Å; R240-S302 PolarHBondContact NH1-OG 2.84Å; R240-R303 VanDerWaalsContact CZ-C 3.43Å; R240-R303 PolarHBondContact NH1-O 2.98Å; R240-A304 VanDerWaalsContact CZ-N 3.33Å
241	H	98.6	Very high	96.6	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	117.5	165.9	176.4	-126.3	0	0	0	108.9	S243 V244 Y258 F259 G260 I301 S302 R303	H241-S243 VanDerWaalsContact CE1-C 3.49Å; H241-S243 PolarHBondContact CE1-O 3.36Å; H241-S243 PolarHBondContact NE2-O 3.31Å; H241-S243 PolarHBondContact NE2-OG 2.94Å; H241-V244 VanDerWaalsContact O-CG2 3.29Å; H241-V244 WeakPolarHBondContact O-CG2 3.42Å; H241-Y258 AromaticContact CE1-CD1 3.78Å; H241-Y258 AromaticContact NE2-CD1 3.78Å; H241-Y258 AromaticContact NE2-CE1 3.83Å; H241-F259 HydrophobicContact CB-CD2 3.77Å; H241-F259 HydrophobicContact CB-CE2 3.83Å; H241-G260 PolarHBondContact NE2-O 3.28Å; H241-G260 VanDerWaalsContact NE2-O 3.1Å; H241-I301 HydrophobicContact CB-CG2 3.66Å; H241-S302 PolarHBondContact N-O 2.77Å; H241-R303 HydrophobicContact CB-CG 3.99Å; H241-R303 PolarHBondContact ND1-NE 3.29Å
242	L	98.1	Very high	96.3	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.192	C	C	.	.			trans	-94.1	-33.6	-172.9	-67.8	167.8	0	0	0	111.8	V218 N231 T232 Y233 R240 V244 V262	V218-L242 HydrophobicContact CG1-CD1 4.04Å; N231-L242 PolarHBondContact ND2-O 3.34Å; N231-L242 WeakPolarHBondContact OD1-CD2 3.5Å; T232-L242 WeakPolarHBondContact O-CD2 3.28Å; Y233-L242 HydrophobicContact CD1-CD1 4.46Å; Y233-L242 HydrophobicContact CD2-CD1 4.45Å; Y233-L242 HydrophobicContact CG-CD1 4.3Å; R240-L242 HydrophobicContact CG-CD2 3.68Å; R240-L242 HydrophobicContact CG-CG 3.98Å; L242-V244 VanDerWaalsContact C-N 3.33Å; L242-V244 PolarHBondContact O-N 3.32Å; L242-V262 HydrophobicContact CB-CB 4.01Å; L242-V262 HydrophobicContact CB-CG1 3.84Å; L242-V262 HydrophobicContact CD1-CG1 3.84Å; L242-V262 HydrophobicContact CG-CG1 4.45Å; L242-V262 PolarHBondContact N-O 3.08Å
243	S	96.9	Very high	96.2	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.196	C	C	.	.			trans	-90.6	55.4	179.1	53.5	0	0	0	0	113.6	H241 S245 M246 G260 V262	H241-S243 VanDerWaalsContact CE1-C 3.49Å; H241-S243 PolarHBondContact CE1-O 3.36Å; H241-S243 PolarHBondContact NE2-O 3.31Å; H241-S243 PolarHBondContact NE2-OG 2.94Å; S243-S245 VanDerWaalsContact C-N 3.33Å; S243-S245 PolarHBondContact O-N 3.11Å; S243-M246 WeakPolarHBondContact O-CE 3.45Å; S243-G260 PolarHBondContact OG-O 2.91Å; S243-V262 PolarHBondContact N-O 2.67Å; S243-V262 PolarHBondContact OG-N 3.46Å; S243-V262 PolarHBondContact OG-O 3.2Å
244	V	94.3	Very high	95.9	Very high	13 Å²	13	42.9 Å²	42.9	8%	0.079	21%	0.212	C	C	.	.			trans	-65.2	-34.9	-173	-175.5	0	0	0	0	113.1	H241 L242 R303 G309	H241-V244 VanDerWaalsContact O-CG2 3.29Å; H241-V244 WeakPolarHBondContact O-CG2 3.42Å; L242-V244 VanDerWaalsContact C-N 3.33Å; L242-V244 PolarHBondContact O-N 3.32Å; V244-R303 HydrophobicContact CG2-CB 3.78Å; V244-R303 HydrophobicContact CG2-CG 3.84Å; V244-G309 PolarHBondContact N-O 3.34Å
245	S	95.5	Very high	95.8	Very high	4 Å²	4	45.1 Å²	45.1	3%	0.028	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	84.4	-167.8	-175	0	0	0	0	110.3	S243 F251 G306 G309 K310 C311	S243-S245 VanDerWaalsContact C-N 3.33Å; S243-S245 PolarHBondContact O-N 3.11Å; S245-F251 VanDerWaalsContact OG-CA 3.24Å; S245-F251 WeakPolarHBondContact OG-CA 3.35Å; S245-F251 WeakPolarHBondContact OG-CB 3.42Å; S245-F251 PolarHBondContact OG-O 3.49Å; S245-G306 VanDerWaalsContact CB-O 3.3Å; S245-G306 WeakPolarHBondContact CB-O 3.42Å; S245-G306 PolarHBondContact OG-O 3.02Å; S245-G309 WeakPolarHBondContact CB-O 3.49Å; S245-G309 PolarHBondContact N-O 3.46Å; S245-K310 CarbonylContact O-C 3.53Å; S245-K310 VanDerWaalsContact O-CA 3.24Å; S245-K310 WeakPolarHBondContact O-CA 3.3Å; S245-C311 PolarHBondContact O-N 3.42Å
246	M	96.3	Very high	95.6	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.005	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	140.1	-177.6	-70.8	175.6	-92.3	0	0	112.5	L224 S243 K248 F249 G250 F251 Y258 C311	L224-M246 HydrophobicContact CD1-SD 3.93Å; L224-M246 HydrophobicContact CD2-CG 4.13Å; L224-M246 HydrophobicContact CD2-SD 3.78Å; S243-M246 WeakPolarHBondContact O-CE 3.45Å; M246-K248 VanDerWaalsContact C-N 3.27Å; M246-K248 HydrophobicContact CB-CG 4.14Å; M246-K248 PolarHBondContact O-N 3.41Å; M246-K248 HydrophobicContact SD-CD 4.29Å; M246-F249 HydrophobicContact CB-CD2 4.02Å; M246-F249 HydrophobicContact CE-CD2 3.7Å; M246-F249 HydrophobicContact CE-CE2 3.52Å; M246-F249 CarbonylContact O-C 3.43Å; M246-F249 PolarHBondContact O-N 2.96Å; M246-F249 HydrophobicContact SD-CD2 4.28Å; M246-F249 HydrophobicContact SD-CE2 4.14Å; M246-G250 PolarHBondContact O-N 2.86Å; M246-F251 WeakPolarHBondContact O-CA 3.48Å; M246-F251 PolarHBondContact O-N 3.18Å; M246-Y258 HydrophobicContact CE-CD1 4.34Å; M246-Y258 HydrophobicContact CE-CE1 3.33Å; M246-C311 WeakPolarHBondContact CA-O 3.3Å; M246-C311 HydrophobicContact CG-CB 4.18Å
247	D	93.6	Very high	95.5	Very high	31 Å²	31	52.3 Å²	52.3	17%	0.166	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-57.1	-38	176.1	70.9	-30.1	0	0	0	113	F249 G250 F251 C311 R312 M313	D247-F249 PolarHBondContact O-N 2.87Å; D247-F249 VanDerWaalsContact O-N 3.15Å; D247-G250 PolarHBondContact O-N 2.71Å; D247-F251 HydrophobicContact CB-CD1 4.44Å; D247-F251 HydrophobicContact CB-CE1 3.66Å; D247-F251 HydrophobicContact CB-CE2 4.13Å; D247-F251 HydrophobicContact CB-CZ 3.48Å; D247-F251 VanDerWaalsContact CB-CZ 3.48Å; D247-C311 PolarHBondContact N-O 3.21Å; D247-R312 VanDerWaalsContact OD2-CG 3.3Å; D247-R312 WeakPolarHBondContact OD2-CG 3.5Å; D247-M313 WeakPolarHBondContact OD1-CB 3.38Å; D247-M313 PolarHBondContact OD1-N 3.13Å
248	K	91.2	Very high	95.4	Very high	89 Å²	89	47.8 Å²	47.8	39%	0.387	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-58.9	-25.4	176.4	82.8	-170.7	-169.9	-171.3	0	113.9	M246 M313	M246-K248 VanDerWaalsContact C-N 3.27Å; M246-K248 HydrophobicContact CB-CG 4.14Å; M246-K248 PolarHBondContact O-N 3.41Å; M246-K248 HydrophobicContact SD-CD 4.29Å; K248-M313 HydrophobicContact CB-SD 4.14Å; K248-M313 HydrophobicContact CD-CB 4.45Å; K248-M313 HydrophobicContact CD-CE 4.49Å; K248-M313 HydrophobicContact CD-CG 4.38Å; K248-M313 HydrophobicContact CD-SD 3.27Å; K248-M313 WeakPolarHBondContact CD-SD 3.27Å; K248-M313 HydrophobicContact CG-SD 4.33Å
249	F	91.3	Very high	95.3	Very high	84 Å²	84	45.3 Å²	45.3	37%	0.368	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-105.7	17.7	176.9	-58.2	-49.6	0	0	0	112.2	M246 D247 F251 R252 P254	M246-F249 HydrophobicContact CB-CD2 4.02Å; M246-F249 HydrophobicContact CE-CD2 3.7Å; M246-F249 HydrophobicContact CE-CE2 3.52Å; M246-F249 CarbonylContact O-C 3.43Å; M246-F249 PolarHBondContact O-N 2.96Å; M246-F249 HydrophobicContact SD-CD2 4.28Å; M246-F249 HydrophobicContact SD-CE2 4.14Å; D247-F249 PolarHBondContact O-N 2.87Å; D247-F249 VanDerWaalsContact O-N 3.15Å; F249-F251 VanDerWaalsContact C-N 3.33Å; F249-F251 PolarHBondContact O-N 3.2Å; F249-R252 WeakPolarHBondContact CB-O 3.39Å; F249-R252 PolarHBondContact O-N 3.31Å; F249-P254 HydrophobicContact CB-CG 4.43Å; F249-P254 HydrophobicContact CD1-CG 4.26Å; F249-P254 HydrophobicContact CD2-CG 3.39Å; F249-P254 HydrophobicContact CE1-CG 4.33Å; F249-P254 HydrophobicContact CE2-CG 3.45Å; F249-P254 VanDerWaalsContact CE2-CG 3.45Å; F249-P254 HydrophobicContact CG-CG 3.8Å; F249-P254 HydrophobicContact CZ-CG 3.93Å
250	G	94.3	Very high	95.2	Very high	23 Å²	23	45.3 Å²	45.3	24%	0.237	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.2	32.2	-180	0	0	0	0	0	113.6	M246 D247 R252	M246-G250 PolarHBondContact O-N 2.86Å; D247-G250 PolarHBondContact O-N 2.71Å; G250-R252 VanDerWaalsContact C-N 3.32Å; G250-R252 PolarHBondContact O-N 2.63Å
251	F	96	Very high	95.1	Very high	84 Å²	84	44 Å²	44	37%	0.368	21%	0.209	S	C	.	.	S	Bend	trans	59.3	40.6	-177.2	-59	-69.2	0	0	0	113.1	M227 S245 M246 D247 F249 K310	M227-F251 HydrophobicContact SD-CE1 3.76Å; M227-F251 HydrophobicContact SD-CZ 4.11Å; S245-F251 VanDerWaalsContact OG-CA 3.24Å; S245-F251 WeakPolarHBondContact OG-CA 3.35Å; S245-F251 WeakPolarHBondContact OG-CB 3.42Å; S245-F251 PolarHBondContact OG-O 3.49Å; M246-F251 WeakPolarHBondContact O-CA 3.48Å; M246-F251 PolarHBondContact O-N 3.18Å; D247-F251 HydrophobicContact CB-CD1 4.44Å; D247-F251 HydrophobicContact CB-CE1 3.66Å; D247-F251 HydrophobicContact CB-CE2 4.13Å; D247-F251 HydrophobicContact CB-CZ 3.48Å; D247-F251 VanDerWaalsContact CB-CZ 3.48Å; F249-F251 VanDerWaalsContact C-N 3.33Å; F249-F251 PolarHBondContact O-N 3.2Å; F251-K310 HydrophobicContact CD1-CB 4.39Å; F251-K310 HydrophobicContact CD1-CD 4.14Å; F251-K310 HydrophobicContact CD1-CG 3.9Å; F251-K310 HydrophobicContact CE1-CB 4.43Å; F251-K310 HydrophobicContact CE1-CD 4.37Å; F251-K310 HydrophobicContact CE1-CG 4.32Å
252	R	92.7	Very high	95.1	Very high	178 Å²	178	44 Å²	44	67%	0.672	21%	0.209	S	C	*	.	S	Bend	trans	-131.5	147.8	175.6	-64.8	-179.4	179.9	178	-1.9	109.9	F249 G250	F249-R252 WeakPolarHBondContact CB-O 3.39Å; F249-R252 PolarHBondContact O-N 3.31Å; G250-R252 VanDerWaalsContact C-N 3.32Å; G250-R252 PolarHBondContact O-N 2.63Å
253	L	94.4	Very high	95.1	Very high	47 Å²	47	44.2 Å²	44.2	25%	0.246	21%	0.21	C	C	.	.			trans	-69.6	127.4	171	-172	69	0	0	0	108.3	Y255 Y258	L253-Y255 VanDerWaalsContact C-N 3.33Å; L253-Y255 WeakPolarHBondContact CD2-O 3.47Å; L253-Y255 WeakPolarHBondContact CG-O 3.48Å; L253-Y255 PolarHBondContact O-N 2.72Å; L253-Y258 HydrophobicContact CD1-CD1 4.03Å; L253-Y258 HydrophobicContact CD1-CG 4.48Å
254	P	93.2	Very high	95.2	Very high	53 Å²	53	44.2 Å²	44.2	34%	0.344	21%	0.21	S	C	.	.	S	Bend	trans	-58	-43.4	-177.8	-28.6	36.8	0	0	0	113.6	F249 Y258	F249-P254 HydrophobicContact CB-CG 4.43Å; F249-P254 HydrophobicContact CD1-CG 4.26Å; F249-P254 HydrophobicContact CD2-CG 3.39Å; F249-P254 HydrophobicContact CE1-CG 4.33Å; F249-P254 HydrophobicContact CE2-CG 3.45Å; F249-P254 VanDerWaalsContact CE2-CG 3.45Å; F249-P254 HydrophobicContact CG-CG 3.8Å; F249-P254 HydrophobicContact CZ-CG 3.93Å; P254-Y258 HydrophobicContact CB-CD2 4.33Å; P254-Y258 HydrophobicContact CB-CG 4.41Å; P254-Y258 HydrophobicContact CG-CD1 4.29Å; P254-Y258 HydrophobicContact CG-CD2 4.11Å; P254-Y258 HydrophobicContact CG-CE2 4.39Å; P254-Y258 HydrophobicContact CG-CG 4.06Å
255	Y	94.9	Very high	95.4	Very high	89 Å²	89	43.6 Å²	43.6	35%	0.349	21%	0.207	S	C	.	.	S	Bend	trans	-162.3	159.4	175.8	48.1	-89.9	0	0	0	109.3	L253 Q257 Y258 D288	L253-Y255 VanDerWaalsContact C-N 3.33Å; L253-Y255 WeakPolarHBondContact CD2-O 3.47Å; L253-Y255 WeakPolarHBondContact CG-O 3.48Å; L253-Y255 PolarHBondContact O-N 2.72Å; Y255-Q257 HydrophobicContact CD2-CB 3.96Å; Y255-Q257 HydrophobicContact CE2-CB 4.2Å; Y255-Q257 PolarHBondContact O-N 3.01Å; Y255-Q257 VanDerWaalsContact O-N 3.15Å; Y255-Y258 AromaticContact CE1-CD2 3.91Å; Y255-Y258 HydrophobicContact CE1-CD2 3.91Å; Y255-Y258 HydrophobicContact CE2-CD2 4.28Å; Y255-Y258 AromaticContact CZ-CD2 3.69Å; Y255-Y258 WeakPolarHBondContact O-CB 3.13Å; Y255-Y258 PolarHBondContact O-N 3.28Å; Y255-D288 VanDerWaalsContact CE2-OD1 3.3Å; Y255-D288 WeakPolarHBondContact CE2-OD1 3.23Å; Y255-D288 PolarHBondContact OH-OD1 3.24Å; Y255-D288 PolarHBondContact OH-OD2 2.84Å
256	N	94.5	Very high	95.6	Very high	122 Å²	122	44.6 Å²	44.6	65%	0.652	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-29.9	-169	-72.6	-17.2	0	0	0	114.4	Y258 R303	N256-Y258 VanDerWaalsContact C-N 3.33Å; N256-R303 PolarHBondContact O-NH1 2.85Å; N256-R303 PolarHBondContact O-NH2 2.72Å
257	Q	95.1	Very high	95.7	Very high	86 Å²	86	47.7 Å²	47.7	40%	0.402	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-8.7	179.9	-60	78.7	5.1	0	0	113	Y255 F259 Y291	Y255-Q257 HydrophobicContact CD2-CB 3.96Å; Y255-Q257 HydrophobicContact CE2-CB 4.2Å; Y255-Q257 PolarHBondContact O-N 3.01Å; Y255-Q257 VanDerWaalsContact O-N 3.15Å; Q257-F259 PolarHBondContact O-N 3.26Å; Q257-Y291 HydrophobicContact CB-CD1 3.73Å; Q257-Y291 HydrophobicContact CB-CD2 4.15Å; Q257-Y291 HydrophobicContact CB-CE1 3.6Å; Q257-Y291 HydrophobicContact CB-CE2 4.02Å; Q257-Y291 HydrophobicContact CB-CG 4.01Å; Q257-Y291 HydrophobicContact CG-CD1 4Å; Q257-Y291 HydrophobicContact CG-CE1 3.35Å; Q257-Y291 HydrophobicContact CG-CE2 4.2Å; Q257-Y291 VanDerWaalsContact CG-CZ 3.47Å; Q257-Y291 WeakPolarHBondContact O-CD2 3.5Å
258	Y	95.6	Very high	95.9	Very high	18 Å²	18	53.3 Å²	53.3	7%	0.071	25%	0.252	C	S	.	.			trans	-60.4	125.2	-175.3	-175.5	-95.4	0	0	0	112	H241 M246 L253 P254 Y255 N256 G260 R303	H241-Y258 AromaticContact CE1-CD1 3.78Å; H241-Y258 AromaticContact NE2-CD1 3.78Å; H241-Y258 AromaticContact NE2-CE1 3.83Å; M246-Y258 HydrophobicContact CE-CD1 4.34Å; M246-Y258 HydrophobicContact CE-CE1 3.33Å; L253-Y258 HydrophobicContact CD1-CD1 4.03Å; L253-Y258 HydrophobicContact CD1-CG 4.48Å; P254-Y258 HydrophobicContact CB-CD2 4.33Å; P254-Y258 HydrophobicContact CB-CG 4.41Å; P254-Y258 HydrophobicContact CG-CD1 4.29Å; P254-Y258 HydrophobicContact CG-CD2 4.11Å; P254-Y258 HydrophobicContact CG-CE2 4.39Å; P254-Y258 HydrophobicContact CG-CG 4.06Å; Y255-Y258 AromaticContact CE1-CD2 3.91Å; Y255-Y258 HydrophobicContact CE1-CD2 3.91Å; Y255-Y258 HydrophobicContact CE2-CD2 4.28Å; Y255-Y258 AromaticContact CZ-CD2 3.69Å; Y255-Y258 WeakPolarHBondContact O-CB 3.13Å; Y255-Y258 PolarHBondContact O-N 3.28Å; N256-Y258 VanDerWaalsContact C-N 3.33Å; Y258-G260 WeakPolarHBondContact CE1-O 3.46Å; Y258-R303 PolarHBondContact O-NH2 3.11Å
259	F	97.6	Very high	96.3	Very high	3 Å²	3	49.7 Å²	49.7	1%	0.013	24%	0.236	C	C	.	.			trans	-133.4	15.3	-176.6	-160.8	-111.2	0	0	0	113.2	P239 H241 Q257 S263 M265 I290 L294 I301	P239-F259 HydrophobicContact CB-CE2 4.47Å; P239-F259 HydrophobicContact CB-CZ 4.1Å; H241-F259 HydrophobicContact CB-CD2 3.77Å; H241-F259 HydrophobicContact CB-CE2 3.83Å; Q257-F259 PolarHBondContact O-N 3.26Å; F259-S263 VanDerWaalsContact CZ-CB 3.44Å; F259-M265 HydrophobicContact CE1-CE 3.57Å; F259-M265 HydrophobicContact CZ-CE 3.97Å; F259-I290 HydrophobicContact CD1-CB 4.48Å; F259-I290 HydrophobicContact CD1-CG2 3.69Å; F259-I290 HydrophobicContact CE1-CG2 3.81Å; F259-L294 HydrophobicContact CD1-CD1 4.13Å; F259-L294 HydrophobicContact CE1-CD1 3.67Å; F259-L294 HydrophobicContact CE2-CD1 4.33Å; F259-L294 HydrophobicContact CZ-CD1 3.78Å; F259-I301 HydrophobicContact CD2-CD1 3.77Å; F259-I301 HydrophobicContact CD2-CG1 4.2Å; F259-I301 HydrophobicContact CD2-CG2 3.79Å; F259-I301 HydrophobicContact CE2-CD1 3.75Å; F259-I301 HydrophobicContact CE2-CG1 4.49Å; F259-I301 HydrophobicContact CE2-CG2 3.81Å; F259-I301 HydrophobicContact CZ-CD1 4.45Å
260	G	95.9	Very high	96.6	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	22%	0.219	C	C	.	.			trans	-80.8	174.5	178.2	0	0	0	0	0	113.9	H241 S243 Y258 V262 D287	H241-G260 PolarHBondContact NE2-O 3.28Å; H241-G260 VanDerWaalsContact NE2-O 3.1Å; S243-G260 PolarHBondContact OG-O 2.91Å; Y258-G260 WeakPolarHBondContact CE1-O 3.46Å; G260-V262 PolarHBondContact O-N 2.89Å; G260-D287 WeakPolarHBondContact CA-OD2 3.48Å
261	G	97	Very high	96.8	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	23%	0.231	C	C	.	.	S	Bend	trans	85.6	-98.2	179.5	0	0	0	0	0	113.1	D221	D221-G261 PolarHBondContact N-O 3.27Å; D221-G261 VanDerWaalsContact N-O 3.1Å; D221-G261 WeakPolarHBondContact OD2-CA 3.45Å
262	V	98.7	Very high	97	Very high	0 Å²	0	50 Å²	50	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	123.6	-179.6	-166.7	0	0	0	0	110.1	V218 F219 L224 Y233 L242 S243 G260	V218-V262 HydrophobicContact CG1-CG1 4.04Å; F219-V262 VanDerWaalsContact O-CA 3.29Å; F219-V262 WeakPolarHBondContact O-CA 3.19Å; L224-V262 HydrophobicContact CB-CG2 3.86Å; L224-V262 HydrophobicContact CD1-CG2 3.96Å; Y233-V262 HydrophobicContact CE1-CG1 3.89Å; L242-V262 HydrophobicContact CB-CB 4.01Å; L242-V262 HydrophobicContact CB-CG1 3.84Å; L242-V262 HydrophobicContact CD1-CG1 3.84Å; L242-V262 HydrophobicContact CG-CG1 4.45Å; L242-V262 PolarHBondContact N-O 3.08Å; S243-V262 PolarHBondContact N-O 2.67Å; S243-V262 PolarHBondContact OG-N 3.46Å; S243-V262 PolarHBondContact OG-O 3.2Å; G260-V262 PolarHBondContact O-N 2.89Å
263	S	98.8	Very high	97.3	Very high	4 Å²	4	41.6 Å²	41.6	3%	0.028	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	164.3	176.8	61.6	0	0	0	0	111.6	V218 F219 R240 F259	V218-S263 CarbonylContact C-O 3.58Å; V218-S263 WeakPolarHBondContact CA-O 3.38Å; F219-S263 PolarHBondContact N-O 3.37Å; F219-S263 PolarHBondContact O-N 2.72Å; R240-S263 CarbonylContact O-C 3.59Å; R240-S263 WeakPolarHBondContact O-CA 3.27Å; R240-S263 WeakPolarHBondContact O-CB 3.45Å; F259-S263 VanDerWaalsContact CZ-CB 3.44Å
264	S	98.8	Very high	97.5	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	146.4	170.7	70	0	0	0	0	112.8	F217 R234 R240	F217-S264 CarbonylContact O-C 3.42Å; F217-S264 WeakPolarHBondContact O-CA 3.49Å; F217-S264 VanDerWaalsContact O-CB 3.29Å; F217-S264 WeakPolarHBondContact O-CB 3.26Å; R234-S264 PolarHBondContact O-OG 3.47Å; R240-S264 VanDerWaalsContact CB-OG 3.32Å; R240-S264 WeakPolarHBondContact CB-OG 3.29Å; R240-S264 PolarHBondContact N-O 2.91Å; R240-S264 PolarHBondContact O-N 2.76Å
265	M	98.7	Very high	97.7	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	139.6	179.1	-82.6	165.9	-95.8	0	0	110.1	F217 F219 C235 P239 F259 Q269 Y270 I273 F276 I290 L294	F217-M265 PolarHBondContact N-O 2.97Å; F217-M265 PolarHBondContact O-N 3Å; F219-M265 HydrophobicContact CD2-CE 4.11Å; F219-M265 HydrophobicContact CE2-CB 4.35Å; F219-M265 HydrophobicContact CE2-CE 3.95Å; C235-M265 PolarHBondContact SG-O 3.33Å; P239-M265 HydrophobicContact CB-CG 3.96Å; P239-M265 HydrophobicContact CG-CG 4.46Å; F259-M265 HydrophobicContact CE1-CE 3.57Å; F259-M265 HydrophobicContact CZ-CE 3.97Å; M265-Q269 HydrophobicContact CB-CB 4.13Å; M265-Q269 HydrophobicContact CG-CB 4.19Å; M265-Y270 HydrophobicContact CB-CD2 4.41Å; M265-Y270 HydrophobicContact SD-CD2 4.1Å; M265-I273 HydrophobicContact SD-CD1 4.06Å; M265-F276 HydrophobicContact CE-CE1 3.45Å; M265-F276 VanDerWaalsContact CE-CE1 3.45Å; M265-F276 HydrophobicContact CE-CZ 3.37Å; M265-F276 HydrophobicContact SD-CE1 4.11Å; M265-F276 HydrophobicContact SD-CZ 4.5Å; M265-I290 HydrophobicContact CE-CG2 4.33Å; M265-L294 HydrophobicContact SD-CD1 4.46Å; M265-L294 HydrophobicContact SD-CD2 3.89Å
266	S	98.8	Very high	97.9	Very high	24 Å²	24	34 Å²	34	17%	0.168	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	159.8	168	73.2	0	0	0	0	110.4	D215 E268 Q269 Y270	D215-S266 WeakPolarHBondContact O-CA 3.37Å; S266-E268 PolarHBondContact O-N 3.25Å; S266-Q269 PolarHBondContact O-N 3.46Å; S266-Q269 VanDerWaalsContact O-N 3.15Å; S266-Q269 VanDerWaalsContact OG-CG 3.29Å; S266-Q269 WeakPolarHBondContact OG-CG 3.24Å; S266-Q269 PolarHBondContact OG-N 2.79Å; S266-Q269 VanDerWaalsContact OG-N 3.14Å; S266-Y270 WeakPolarHBondContact O-CB 3.48Å; S266-Y270 PolarHBondContact O-N 3.45Å
267	K	98.6	Very high	98.1	Very high	67 Å²	67	28.2 Å²	28.2	29%	0.291	14%	0.135	S	C	.	.	H	α-helix	trans	-48.8	-44.6	172.4	-165.5	174.4	-174	169.5	0	111.9	L209 D213 D215 F217 L271	L209-K267 HydrophobicContact CD2-CD 4.46Å; D213-K267 IonicContact OD1-NZ 2.77Å; D213-K267 PolarHBondContact OD1-NZ 2.89Å; D215-K267 PolarHBondContact O-N 3.22Å; F217-K267 HydrophobicContact CE2-CB 3.92Å; F217-K267 HydrophobicContact CE2-CG 4.19Å; K267-L271 HydrophobicContact CG-CD1 4.24Å; K267-L271 WeakPolarHBondContact O-CB 3.31Å; K267-L271 VanDerWaalsContact O-CG 3.27Å; K267-L271 WeakPolarHBondContact O-CG 3.5Å; K267-L271 PolarHBondContact O-N 3.43Å
268	E	98.6	Very high	98.2	Very high	149 Å²	149	24.6 Å²	24.6	70%	0.696	12%	0.119	S	C	*	.	H	α-helix	trans	-65.1	-49	178.7	-172.3	-169.2	161.3	0	0	112.4	S266 Y270 L271 K272	S266-E268 PolarHBondContact O-N 3.25Å; E268-Y270 VanDerWaalsContact C-N 3.28Å; E268-Y270 PolarHBondContact O-N 3.44Å; E268-L271 PolarHBondContact O-N 3.3Å; E268-K272 VanDerWaalsContact O-CB 3.31Å; E268-K272 WeakPolarHBondContact O-CB 3.42Å; E268-K272 PolarHBondContact O-N 2.96Å
269	Q	98.8	Very high	98.2	Very high	12 Å²	12	25.7 Å²	25.7	6%	0.056	13%	0.125	C	C	.	.	H	α-helix	trans	-58.8	-42.4	179.3	-72.3	163.8	-8.4	0	0	111.2	F236 S237 Q238 M265 S266 K272 M299	F236-Q269 PolarHBondContact O-NE2 3.19Å; S237-Q269 VanDerWaalsContact C-NE2 3.27Å; S237-Q269 PolarHBondContact O-NE2 3.45Å; Q238-Q269 VanDerWaalsContact C-NE2 3.35Å; M265-Q269 HydrophobicContact CB-CB 4.13Å; M265-Q269 HydrophobicContact CG-CB 4.19Å; S266-Q269 PolarHBondContact O-N 3.46Å; S266-Q269 VanDerWaalsContact O-N 3.15Å; S266-Q269 VanDerWaalsContact OG-CG 3.29Å; S266-Q269 WeakPolarHBondContact OG-CG 3.24Å; S266-Q269 PolarHBondContact OG-N 2.79Å; S266-Q269 VanDerWaalsContact OG-N 3.14Å; Q269-K272 PolarHBondContact O-N 3.31Å; Q269-M299 HydrophobicContact CB-SD 4.05Å; Q269-M299 HydrophobicContact CG-SD 3.81Å
270	Y	98.8	Very high	98.1	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-66.8	-45.8	-179.7	-161.3	-103.8	0	0	0	112.3	N202 Y205 F219 M265 S266 E268 K272 I273 N274 G275 F276 I344	N202-Y270 WeakPolarHBondContact CA-OH 3.27Å; N202-Y270 PolarHBondContact OD1-OH 3.4Å; Y205-Y270 AromaticContact CD1-CD1 3.96Å; Y205-Y270 HydrophobicContact CD1-CD1 3.96Å; Y205-Y270 AromaticContact CD1-CE1 3.71Å; Y205-Y270 HydrophobicContact CD1-CE1 3.71Å; Y205-Y270 AromaticContact CD2-CD1 3.34Å; Y205-Y270 HydrophobicContact CD2-CD1 3.34Å; Y205-Y270 AromaticContact CD2-CE1 3.49Å; Y205-Y270 HydrophobicContact CD2-CE1 3.49Å; Y205-Y270 VanDerWaalsContact CD2-CE1 3.49Å; Y205-Y270 HydrophobicContact CD2-CG 4Å; Y205-Y270 AromaticContact CE1-CD1 3.98Å; Y205-Y270 HydrophobicContact CE1-CD1 3.98Å; Y205-Y270 HydrophobicContact CE1-CE1 4.19Å; Y205-Y270 AromaticContact CE2-CD1 3.36Å; Y205-Y270 HydrophobicContact CE2-CD1 3.36Å; Y205-Y270 AromaticContact CE2-CE1 3.99Å; Y205-Y270 HydrophobicContact CE2-CE1 3.99Å; Y205-Y270 AromaticContact CE2-CG 3.95Å; Y205-Y270 HydrophobicContact CE2-CG 3.95Å; Y205-Y270 AromaticContact CG-CD1 3.66Å; Y205-Y270 HydrophobicContact CG-CD1 3.66Å; Y205-Y270 AromaticContact CG-CE1 3.35Å; Y205-Y270 HydrophobicContact CG-CE1 3.35Å; Y205-Y270 AromaticContact CZ-CD1 3.7Å; F219-Y270 AromaticContact CE1-CE2 3.88Å; F219-Y270 HydrophobicContact CE1-CE2 3.88Å; F219-Y270 AromaticContact CE2-CD2 3.84Å; F219-Y270 HydrophobicContact CE2-CD2 3.84Å; F219-Y270 AromaticContact CE2-CE2 3.69Å; F219-Y270 HydrophobicContact CE2-CE2 3.69Å; F219-Y270 AromaticContact CZ-CD2 3.54Å; F219-Y270 HydrophobicContact CZ-CD2 3.54Å; F219-Y270 AromaticContact CZ-CE2 3.15Å; F219-Y270 HydrophobicContact CZ-CE2 3.15Å; F219-Y270 HydrophobicContact CZ-CG 4.42Å; F219-Y270 AromaticContact CZ-CZ 3.76Å; M265-Y270 HydrophobicContact CB-CD2 4.41Å; M265-Y270 HydrophobicContact SD-CD2 4.1Å; S266-Y270 WeakPolarHBondContact O-CB 3.48Å; S266-Y270 PolarHBondContact O-N 3.45Å; E268-Y270 VanDerWaalsContact C-N 3.28Å; E268-Y270 PolarHBondContact O-N 3.44Å; Y270-K272 VanDerWaalsContact C-N 3.32Å; Y270-K272 PolarHBondContact O-N 3.22Å; Y270-I273 WeakPolarHBondContact O-CG1 3.24Å; Y270-I273 PolarHBondContact O-N 3.43Å; Y270-N274 PolarHBondContact O-N 3.19Å; Y270-G275 PolarHBondContact O-N 3.38Å; Y270-F276 HydrophobicContact CD2-CE1 4.06Å; Y270-F276 HydrophobicContact CD2-CZ 4.31Å; Y270-F276 AromaticContact CE2-CD1 3.74Å; Y270-F276 HydrophobicContact CE2-CD1 3.74Å; Y270-F276 HydrophobicContact CE2-CD2 4.13Å; Y270-F276 AromaticContact CE2-CE1 3.48Å; Y270-F276 HydrophobicContact CE2-CE1 3.48Å; Y270-F276 VanDerWaalsContact CE2-CE1 3.48Å; Y270-F276 AromaticContact CE2-CE2 3.87Å; Y270-F276 HydrophobicContact CE2-CE2 3.87Å; Y270-F276 HydrophobicContact CE2-CG 4.09Å; Y270-F276 AromaticContact CE2-CZ 3.57Å; Y270-F276 HydrophobicContact CE2-CZ 3.57Å; Y270-I344 HydrophobicContact CD1-CD1 3.46Å; Y270-I344 VanDerWaalsContact CD1-CD1 3.46Å; Y270-I344 HydrophobicContact CE1-CD1 3.3Å; Y270-I344 HydrophobicContact CE1-CG1 3.93Å
271	L	98.4	Very high	98	Very high	96 Å²	96	26.9 Å²	26.9	50%	0.503	13%	0.13	S	C	.	.	H	α-helix	trans	-64.6	-36.7	176.1	-71	172.7	0	0	0	112.1	Y205 K267 E268 I273 N274 I344	Y205-L271 HydrophobicContact CE1-CD2 4.48Å; Y205-L271 WeakPolarHBondContact OH-CG 3.42Å; K267-L271 HydrophobicContact CG-CD1 4.24Å; K267-L271 WeakPolarHBondContact O-CB 3.31Å; K267-L271 VanDerWaalsContact O-CG 3.27Å; K267-L271 WeakPolarHBondContact O-CG 3.5Å; K267-L271 PolarHBondContact O-N 3.43Å; E268-L271 PolarHBondContact O-N 3.3Å; L271-I273 PolarHBondContact O-N 3.04Å; L271-I273 VanDerWaalsContact O-N 3.16Å; L271-N274 PolarHBondContact O-N 3.31Å; L271-I344 HydrophobicContact CD2-CD1 4.34Å
272	K	98.6	Very high	97.7	Very high	103 Å²	103	27.2 Å²	27.2	45%	0.448	13%	0.133	S	C	.	.	H	α-helix	trans	-59.4	-28.5	179.8	-168.7	175.9	-174.1	-174.6	0	113.1	E268 Q269 Y270 K297 M299	E268-K272 VanDerWaalsContact O-CB 3.31Å; E268-K272 WeakPolarHBondContact O-CB 3.42Å; E268-K272 PolarHBondContact O-N 2.96Å; Q269-K272 PolarHBondContact O-N 3.31Å; Y270-K272 VanDerWaalsContact C-N 3.32Å; Y270-K272 PolarHBondContact O-N 3.22Å; K272-K297 HydrophobicContact CD-CB 4.22Å; K272-K297 HydrophobicContact CG-CB 4.14Å; K272-K297 HydrophobicContact CG-CD 4.36Å; K272-K297 HydrophobicContact CG-CG 4.21Å; K272-K297 PolarHBondContact NZ-O 2.68Å; K272-K297 VanDerWaalsContact O-CE 3.24Å; K272-K297 WeakPolarHBondContact O-CE 3.43Å; K272-M299 HydrophobicContact CB-CE 4.47Å; K272-M299 HydrophobicContact CD-CE 4.18Å; K272-M299 HydrophobicContact CD-SD 4.37Å
273	I	98.6	Very high	97.1	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	6.1	176.6	61	164.4	0	0	0	114.4	M265 Y270 L271 G275 F276 R293 L294 K297 M299 M339	M265-I273 HydrophobicContact SD-CD1 4.06Å; Y270-I273 WeakPolarHBondContact O-CG1 3.24Å; Y270-I273 PolarHBondContact O-N 3.43Å; L271-I273 PolarHBondContact O-N 3.04Å; L271-I273 VanDerWaalsContact O-N 3.16Å; I273-G275 PolarHBondContact O-N 3.38Å; I273-F276 HydrophobicContact CD1-CD1 4.17Å; I273-F276 HydrophobicContact CD1-CE1 4.13Å; I273-R293 HydrophobicContact CB-CB 3.94Å; I273-R293 HydrophobicContact CD1-CB 4.43Å; I273-R293 HydrophobicContact CG2-CB 3.94Å; I273-R293 WeakPolarHBondContact CG2-O 3.48Å; I273-R293 PolarHBondContact O-NH1 2.86Å; I273-L294 HydrophobicContact CD1-CD2 4Å; I273-L294 HydrophobicContact CD1-CG 4.43Å; I273-L294 HydrophobicContact CG2-CD2 3.93Å; I273-K297 HydrophobicContact CG2-CB 4.33Å; I273-K297 HydrophobicContact CG2-CG 3.89Å; I273-M299 HydrophobicContact CG2-CE 3.6Å; I273-M339 HydrophobicContact CB-CE 4.27Å; I273-M339 HydrophobicContact CG2-CE 4.44Å
274	N	98.8	Very high	96.6	Very high	30 Å²	30	33.2 Å²	33.2	16%	0.16	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.6	33.9	-171.7	-175.4	35.7	0	0	0	112.2	Y270 L271 M339 G343 I344 N345	Y270-N274 PolarHBondContact O-N 3.19Å; L271-N274 PolarHBondContact O-N 3.31Å; N274-M339 PolarHBondContact ND2-O 2.94Å; N274-G343 WeakPolarHBondContact ND2-CA 3.38Å; N274-G343 CarbonylContact O-C 3.4Å; N274-G343 WeakPolarHBondContact O-CA 3.36Å; N274-I344 PolarHBondContact O-N 3.44Å; N274-I344 PolarHBondContact OD1-N 3.28Å; N274-N345 PolarHBondContact ND2-ND2 2.82Å; N274-N345 PolarHBondContact ND2-OD1 3.18Å; N274-N345 WeakPolarHBondContact OD1-CB 3.48Å; N274-N345 VanDerWaalsContact OD1-CG 3.3Å; N274-N345 PolarHBondContact OD1-N 3.02Å; N274-N345 VanDerWaalsContact OD1-N 3.16Å; N274-N345 PolarHBondContact OD1-OD1 3.26Å
275	G	98.6	Very high	96.3	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.161	C	C	.	.	S	Bend	trans	56	-151.6	-171.4	0	0	0	0	0	114	Y270 I273 R293	Y270-G275 PolarHBondContact O-N 3.38Å; I273-G275 PolarHBondContact O-N 3.38Å; G275-R293 PolarHBondContact O-NH1 3.37Å
276	F	98.6	Very high	96.2	Very high	1 Å²	1	34 Å²	34	0%	0.004	16%	0.164	C	C	.	.	S	Bend	trans	-96.5	158.8	-170.8	-62.7	-16	0	0	0	112.6	A198 L201 N202 F219 M265 Y270 I273 I290 G343	A198-F276 HydrophobicContact CB-CB 4.11Å; L201-F276 HydrophobicContact CB-CD2 3.7Å; L201-F276 HydrophobicContact CB-CE2 3.9Å; L201-F276 HydrophobicContact CD1-CD2 3.81Å; L201-F276 HydrophobicContact CD1-CE2 3.62Å; L201-F276 HydrophobicContact CG-CD2 4.4Å; L201-F276 HydrophobicContact CG-CE2 4.38Å; N202-F276 PolarHBondContact ND2-O 3.37Å; N202-F276 PolarHBondContact OD1-N 2.92Å; F219-F276 HydrophobicContact CD1-CE2 4.01Å; F219-F276 AromaticContact CD2-CE2 3.98Å; F219-F276 HydrophobicContact CD2-CE2 3.98Å; F219-F276 AromaticContact CD2-CZ 3.76Å; F219-F276 HydrophobicContact CD2-CZ 3.76Å; F219-F276 HydrophobicContact CE1-CE2 4.15Å; F219-F276 HydrophobicContact CE2-CE2 4.16Å; F219-F276 AromaticContact CE2-CZ 3.79Å; F219-F276 HydrophobicContact CE2-CZ 3.79Å; F219-F276 AromaticContact CG-CE2 3.9Å; F219-F276 HydrophobicContact CG-CE2 3.9Å; F219-F276 HydrophobicContact CG-CZ 4.17Å; F219-F276 HydrophobicContact CZ-CE2 4.24Å; F219-F276 HydrophobicContact CZ-CZ 4.21Å; M265-F276 HydrophobicContact CE-CE1 3.45Å; M265-F276 VanDerWaalsContact CE-CE1 3.45Å; M265-F276 HydrophobicContact CE-CZ 3.37Å; M265-F276 HydrophobicContact SD-CE1 4.11Å; M265-F276 HydrophobicContact SD-CZ 4.5Å; Y270-F276 HydrophobicContact CD2-CE1 4.06Å; Y270-F276 HydrophobicContact CD2-CZ 4.31Å; Y270-F276 AromaticContact CE2-CD1 3.74Å; Y270-F276 HydrophobicContact CE2-CD1 3.74Å; Y270-F276 HydrophobicContact CE2-CD2 4.13Å; Y270-F276 AromaticContact CE2-CE1 3.48Å; Y270-F276 HydrophobicContact CE2-CE1 3.48Å; Y270-F276 VanDerWaalsContact CE2-CE1 3.48Å; Y270-F276 AromaticContact CE2-CE2 3.87Å; Y270-F276 HydrophobicContact CE2-CE2 3.87Å; Y270-F276 HydrophobicContact CE2-CG 4.09Å; Y270-F276 AromaticContact CE2-CZ 3.57Å; Y270-F276 HydrophobicContact CE2-CZ 3.57Å; I273-F276 HydrophobicContact CD1-CD1 4.17Å; I273-F276 HydrophobicContact CD1-CE1 4.13Å; F276-I290 HydrophobicContact CB-CD1 4.18Å; F276-I290 HydrophobicContact CB-CG1 4.25Å; F276-I290 HydrophobicContact CD1-CB 4.35Å; F276-I290 HydrophobicContact CD1-CD1 3.6Å; F276-I290 HydrophobicContact CD1-CG1 3.47Å; F276-I290 VanDerWaalsContact CD1-CG1 3.47Å; F276-I290 HydrophobicContact CD1-CG2 3.96Å; F276-I290 HydrophobicContact CD2-CD1 3.75Å; F276-I290 HydrophobicContact CD2-CG1 4.5Å; F276-I290 HydrophobicContact CE1-CB 4.32Å; F276-I290 HydrophobicContact CE1-CD1 3.76Å; F276-I290 HydrophobicContact CE1-CG1 3.82Å; F276-I290 HydrophobicContact CE1-CG2 3.49Å; F276-I290 VanDerWaalsContact CE1-CG2 3.49Å; F276-I290 HydrophobicContact CE2-CD1 3.93Å; F276-I290 HydrophobicContact CG-CD1 3.58Å; F276-I290 HydrophobicContact CG-CG1 3.84Å; F276-I290 HydrophobicContact CZ-CD1 3.9Å; F276-I290 HydrophobicContact CZ-CG1 4.47Å; F276-I290 HydrophobicContact CZ-CG2 4.19Å; F276-G343 WeakPolarHBondContact O-CA 3.28Å
277	P	98.2	Very high	96.1	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.161	C	C	.	.			trans	-66.2	141.2	176.4	29.2	-36.9	0	0	0	111.5	A198 Y280 E286 D289 D342	A198-P277 HydrophobicContact CB-CG 4.36Å; A198-P277 WeakPolarHBondContact CB-O 3.45Å; P277-Y280 HydrophobicContact CB-CD2 3.58Å; P277-Y280 HydrophobicContact CB-CE2 3.71Å; P277-Y280 HydrophobicContact CG-CD2 3.48Å; P277-Y280 VanDerWaalsContact CG-CD2 3.48Å; P277-Y280 HydrophobicContact CG-CE2 3.63Å; P277-Y280 HydrophobicContact CG-CG 4.41Å; P277-E286 HydrophobicContact CG-CB 4.48Å; P277-D289 WeakPolarHBondContact CD-OD1 3.47Å; P277-D289 HydrophobicContact CG-CB 4.15Å; P277-D289 WeakPolarHBondContact CG-OD1 3.18Å; P277-D342 WeakPolarHBondContact CA-OD2 3.37Å; P277-D342 WeakPolarHBondContact CB-OD2 3.46Å
278	N	97.9	Very high	96	Very high	10 Å²	10	32.3 Å²	32.3	5%	0.053	16%	0.156	C	C	.	.	S	Bend	trans	-93.9	-10.8	178	-58.6	-66.2	0	0	0	113.1	N196 K199 N202 D342 G343 S346 L347	N196-N278 PolarHBondContact ND2-O 3.26Å; K199-N278 HydrophobicContact CB-CB 4.45Å; K199-N278 HydrophobicContact CD-CB 3.99Å; K199-N278 HydrophobicContact CG-CB 4.15Å; N202-N278 PolarHBondContact ND2-OD1 3.34Å; N278-D342 VanDerWaalsContact CB-OD1 3.26Å; N278-D342 WeakPolarHBondContact CB-OD1 3.37Å; N278-D342 VanDerWaalsContact N-CG 3.34Å; N278-D342 PolarHBondContact N-OD1 2.99Å; N278-D342 PolarHBondContact N-OD2 2.93Å; N278-D342 PolarHBondContact ND2-OD1 3.5Å; N278-G343 PolarHBondContact ND2-N 3.33Å; N278-G343 PolarHBondContact ND2-O 3.26Å; N278-S346 PolarHBondContact ND2-OG 3.29Å; N278-L347 VanDerWaalsContact OD1-CD1 3.29Å; N278-L347 WeakPolarHBondContact OD1-CD1 3.02Å
279	N	95.3	Very high	96	Very high	40 Å²	40	25.3 Å²	25.3	21%	0.214	12%	0.123	C	C	.	.			trans	-100.9	13.6	-169	63.8	19.5	0	0	0	114.3	W281 R331 D342	N279-W281 PolarHBondContact O-N 3.42Å; N279-R331 PolarHBondContact ND2-NH1 3.49Å; N279-R331 PolarHBondContact O-NE 3Å; N279-R331 PolarHBondContact OD1-NH1 3.48Å; N279-D342 PolarHBondContact N-OD2 3.27Å; N279-D342 PolarHBondContact ND2-OD2 3.45Å; N279-D342 PolarHBondContact OD1-OD2 2.95Å
280	Y	95.6	Very high	96	Very high	3 Å²	3	24.9 Å²	24.9	1%	0.012	12%	0.121	C	C	.	.			trans	-89.2	88.1	173.2	-79.7	-105.1	0	0	0	110.8	N196 P277 G285 E286 D289 R331 I332	N196-Y280 PolarHBondContact OD1-O 2.92Å; P277-Y280 HydrophobicContact CB-CD2 3.58Å; P277-Y280 HydrophobicContact CB-CE2 3.71Å; P277-Y280 HydrophobicContact CG-CD2 3.48Å; P277-Y280 VanDerWaalsContact CG-CD2 3.48Å; P277-Y280 HydrophobicContact CG-CE2 3.63Å; P277-Y280 HydrophobicContact CG-CG 4.41Å; Y280-G285 VanDerWaalsContact CE1-O 3.3Å; Y280-G285 WeakPolarHBondContact CE1-O 3.44Å; Y280-E286 HydrophobicContact CD1-CB 3.72Å; Y280-E286 VanDerWaalsContact CD1-N 3.32Å; Y280-E286 HydrophobicContact CD2-CB 4.27Å; Y280-E286 HydrophobicContact CE1-CB 4.37Å; Y280-E286 HydrophobicContact CG-CB 3.65Å; Y280-D289 HydrophobicContact CE2-CB 4.02Å; Y280-D289 WeakPolarHBondContact OH-CB 3.29Å; Y280-D289 PolarHBondContact OH-OD2 2.83Å; Y280-R331 HydrophobicContact CE1-CB 4.08Å; Y280-R331 HydrophobicContact CE2-CB 3.89Å; Y280-R331 VanDerWaalsContact CZ-CB 3.43Å; Y280-R331 VanDerWaalsContact OH-C 3.28Å; Y280-R331 WeakPolarHBondContact OH-CB 3.27Å; Y280-I332 PolarHBondContact OH-N 3.22Å
281	W	93.8	Very high	95.9	Very high	25 Å²	25	27.6 Å²	27.6	10%	0.095	13%	0.132	C	C	.	.			trans	-92.6	118	175.4	-62.5	94.7	0	0	0	110.4	V194 N196 K199 N279 N325 V367 G368 K369 P370	V194-W281 HydrophobicContact CB-CB 4.38Å; V194-W281 HydrophobicContact CB-CE3 4.28Å; V194-W281 HydrophobicContact CG1-CB 4.2Å; V194-W281 WeakPolarHBondContact O-CZ3 3.42Å; N196-W281 HydrophobicContact CB-CD2 4.16Å; N196-W281 HydrophobicContact CB-CE3 3.69Å; N196-W281 HydrophobicContact CB-CH2 4.3Å; N196-W281 HydrophobicContact CB-CZ3 3.77Å; N196-W281 VanDerWaalsContact ND2-CE2 3.28Å; K199-W281 HydrophobicContact CD-CZ2 4.45Å; N279-W281 PolarHBondContact O-N 3.42Å; W281-N325 WeakPolarHBondContact O-CB 3.41Å; W281-V367 HydrophobicContact CH2-CG2 3.99Å; W281-V367 WeakPolarHBondContact CH2-O 2.98Å; W281-V367 HydrophobicContact CZ3-CG2 4.19Å; W281-G368 VanDerWaalsContact CH2-O 3.27Å; W281-G368 WeakPolarHBondContact CH2-O 3.25Å; W281-K369 WeakPolarHBondContact CZ2-O 3.38Å; W281-P370 HydrophobicContact CB-CB 4.27Å; W281-P370 HydrophobicContact CB-CG 3.87Å; W281-P370 HydrophobicContact CD2-CB 4.18Å; W281-P370 HydrophobicContact CD2-CG 3.7Å; W281-P370 HydrophobicContact CE3-CG 4.04Å; W281-P370 HydrophobicContact CG-CB 3.83Å; W281-P370 HydrophobicContact CG-CG 3.61Å
282	G	90.5	Very high	95.9	Very high	7 Å²	7	25.4 Å²	25.4	7%	0.072	12%	0.12	C	C	.	.	S	Bend	trans	97.9	-167.3	-178.4	0	0	0	0	0	112.4	V194 F195	V194-G282 VanDerWaalsContact CG1-CA 3.41Å; F195-G282 PolarHBondContact O-N 3.44Å
283	W	85.8	Confident	95.9	Very high	121 Å²	121	20.5 Å²	20.5	46%	0.458	10%	0.099	S	C	.	.	B	Isolated β-bridge	trans	-84.2	124.7	-170.5	179.2	84.9	0	0	0	112.6	R318 N322 E323 P324 N325	W283-R318 VanDerWaalsContact CE2-NH2 3.34Å; W283-N322 WeakPolarHBondContact CB-O 3.31Å; W283-N322 WeakPolarHBondContact CB-OD1 3.39Å; W283-N322 PolarHBondContact N-OD1 2.9Å; W283-E323 PolarHBondContact N-O 3.02Å; W283-P324 HydrophobicContact CE3-CB 4.16Å; W283-P324 HydrophobicContact CE3-CG 4.33Å; W283-P324 WeakPolarHBondContact O-CA 3.17Å; W283-N325 PolarHBondContact O-N 3.04Å
284	G	88.3	Confident	95.9	Very high	9 Å²	9	20.5 Å²	20.5	9%	0.093	10%	0.099	C	C	.	.	S	Bend	trans	97	149.1	155.2	0	0	0	0	0	116.1	E286 R328	G284-E286 VanDerWaalsContact C-OE2 3.29Å; G284-E286 WeakPolarHBondContact CA-OE2 3.49Å; G284-R328 VanDerWaalsContact O-CB 3.27Å; G284-R328 WeakPolarHBondContact O-CB 3.31Å
285	G	92.8	Very high	95.9	Very high	5 Å²	5	21 Å²	21	5%	0.052	11%	0.108	C	C	.	.	S	Bend	trans	92.9	-11.7	173.5	0	0	0	0	0	115.1	Y280 D287 D288 D289 I332	Y280-G285 VanDerWaalsContact CE1-O 3.3Å; Y280-G285 WeakPolarHBondContact CE1-O 3.44Å; G285-D287 VanDerWaalsContact C-N 3.3Å; G285-D288 PolarHBondContact O-N 2.82Å; G285-D289 PolarHBondContact O-N 2.84Å; G285-D289 VanDerWaalsContact O-N 3.11Å; G285-I332 WeakPolarHBondContact O-CG1 3.43Å
286	E	96.9	Very high	95.9	Very high	13 Å²	13	23.1 Å²	23.1	6%	0.061	12%	0.123	C	C	.	.	H	α-helix	trans	-67.3	-35.7	174.2	81.8	-73.5	-163.1	0	0	111	R197 A198 P277 Y280 G284 D288 D289 I290	R197-E286 WeakPolarHBondContact CD-OE1 3.26Å; R197-E286 IonicContact CZ-OE1 2.65Å; R197-E286 IonicContact NE-OE1 2.72Å; R197-E286 IonicContact NH1-OE1 3.12Å; R197-E286 PolarHBondContact NH1-OE1 3.13Å; A198-E286 HydrophobicContact CB-CB 4.02Å; A198-E286 HydrophobicContact CB-CG 3.98Å; P277-E286 HydrophobicContact CG-CB 4.48Å; Y280-E286 HydrophobicContact CD1-CB 3.72Å; Y280-E286 VanDerWaalsContact CD1-N 3.32Å; Y280-E286 HydrophobicContact CD2-CB 4.27Å; Y280-E286 HydrophobicContact CE1-CB 4.37Å; Y280-E286 HydrophobicContact CG-CB 3.65Å; G284-E286 VanDerWaalsContact C-OE2 3.29Å; G284-E286 WeakPolarHBondContact CA-OE2 3.49Å; E286-D288 VanDerWaalsContact C-N 3.3Å; E286-D288 PolarHBondContact O-N 2.9Å; E286-D289 WeakPolarHBondContact O-CB 3.4Å; E286-D289 PolarHBondContact O-N 3.01Å; E286-I290 WeakPolarHBondContact O-CD1 3.38Å; E286-I290 WeakPolarHBondContact O-CG1 3.49Å; E286-I290 PolarHBondContact O-N 3.44Å
287	D	96.3	Very high	95.8	Very high	22 Å²	22	27.3 Å²	27.3	12%	0.118	14%	0.141	C	C	.	.	H	α-helix	trans	-61.3	-40.1	176.6	-51	-25.1	0	0	0	111.9	R197 G260 G285 I290 Y291	R197-D287 IonicContact CZ-OD1 2.69Å; R197-D287 IonicContact NH1-OD1 3.16Å; R197-D287 PolarHBondContact NH1-OD1 2.84Å; R197-D287 IonicContact NH2-OD1 3.51Å; G260-D287 WeakPolarHBondContact CA-OD2 3.48Å; G285-D287 VanDerWaalsContact C-N 3.3Å; D287-I290 PolarHBondContact O-N 3.42Å; D287-Y291 PolarHBondContact O-N 3.16Å
288	D	96.8	Very high	95.8	Very high	33 Å²	33	30.6 Å²	30.6	18%	0.176	18%	0.175	C	C	.	.	H	α-helix	trans	-74.1	-36.2	-179.6	-60.7	-49.1	0	0	0	110.8	Y255 G285 E286 Y291 N292 I332	Y255-D288 VanDerWaalsContact CE2-OD1 3.3Å; Y255-D288 WeakPolarHBondContact CE2-OD1 3.23Å; Y255-D288 PolarHBondContact OH-OD1 3.24Å; Y255-D288 PolarHBondContact OH-OD2 2.84Å; G285-D288 PolarHBondContact O-N 2.82Å; E286-D288 VanDerWaalsContact C-N 3.3Å; E286-D288 PolarHBondContact O-N 2.9Å; D288-Y291 PolarHBondContact O-N 2.88Å; D288-N292 WeakPolarHBondContact O-CB 3.48Å; D288-N292 VanDerWaalsContact O-CG 3.29Å; D288-N292 PolarHBondContact O-N 3.21Å; D288-I332 HydrophobicContact CB-CD1 3.78Å; D288-I332 HydrophobicContact CB-CG1 4.02Å; D288-I332 HydrophobicContact CB-CG2 4.45Å
289	D	98.3	Very high	95.9	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.005	18%	0.177	C	C	.	.	H	α-helix	trans	-61	-46.8	169.7	-171.8	-85.5	0	0	0	110.8	P277 Y280 G285 E286 Y291 N292 R293 T335	P277-D289 WeakPolarHBondContact CD-OD1 3.47Å; P277-D289 HydrophobicContact CG-CB 4.15Å; P277-D289 WeakPolarHBondContact CG-OD1 3.18Å; Y280-D289 HydrophobicContact CE2-CB 4.02Å; Y280-D289 WeakPolarHBondContact OH-CB 3.29Å; Y280-D289 PolarHBondContact OH-OD2 2.83Å; G285-D289 PolarHBondContact O-N 2.84Å; G285-D289 VanDerWaalsContact O-N 3.11Å; E286-D289 WeakPolarHBondContact O-CB 3.4Å; E286-D289 PolarHBondContact O-N 3.01Å; D289-Y291 VanDerWaalsContact C-N 3.33Å; D289-Y291 PolarHBondContact O-N 3.31Å; D289-N292 WeakPolarHBondContact O-CB 3.49Å; D289-N292 PolarHBondContact O-N 3.4Å; D289-N292 VanDerWaalsContact O-N 3.07Å; D289-R293 WeakPolarHBondContact O-CG 3.41Å; D289-R293 PolarHBondContact O-N 3.07Å; D289-R293 IonicContact OD1-CZ 3.32Å; D289-R293 IonicContact OD1-NE 2.98Å; D289-R293 PolarHBondContact OD1-NE 2.87Å; D289-R293 IonicContact OD1-NH2 3.81Å; D289-R293 PolarHBondContact OD1-NH2 3.16Å; D289-T335 VanDerWaalsContact OD2-CB 3.27Å; D289-T335 WeakPolarHBondContact OD2-CB 3.33Å; D289-T335 VanDerWaalsContact OD2-CG2 3.29Å; D289-T335 WeakPolarHBondContact OD2-CG2 3.1Å; D289-T335 PolarHBondContact OD2-OG1 3.18Å
290	I	98.4	Very high	96	Very high	4 Å²	4	32.6 Å²	32.6	2%	0.021	19%	0.191	C	C	.	.	H	α-helix	trans	-58.1	-46.2	176	-66	162.8	0	0	0	110.5	F259 M265 F276 E286 D287 N292 R293 L294	F259-I290 HydrophobicContact CD1-CB 4.48Å; F259-I290 HydrophobicContact CD1-CG2 3.69Å; F259-I290 HydrophobicContact CE1-CG2 3.81Å; M265-I290 HydrophobicContact CE-CG2 4.33Å; F276-I290 HydrophobicContact CB-CD1 4.18Å; F276-I290 HydrophobicContact CB-CG1 4.25Å; F276-I290 HydrophobicContact CD1-CB 4.35Å; F276-I290 HydrophobicContact CD1-CD1 3.6Å; F276-I290 HydrophobicContact CD1-CG1 3.47Å; F276-I290 VanDerWaalsContact CD1-CG1 3.47Å; F276-I290 HydrophobicContact CD1-CG2 3.96Å; F276-I290 HydrophobicContact CD2-CD1 3.75Å; F276-I290 HydrophobicContact CD2-CG1 4.5Å; F276-I290 HydrophobicContact CE1-CB 4.32Å; F276-I290 HydrophobicContact CE1-CD1 3.76Å; F276-I290 HydrophobicContact CE1-CG1 3.82Å; F276-I290 HydrophobicContact CE1-CG2 3.49Å; F276-I290 VanDerWaalsContact CE1-CG2 3.49Å; F276-I290 HydrophobicContact CE2-CD1 3.93Å; F276-I290 HydrophobicContact CG-CD1 3.58Å; F276-I290 HydrophobicContact CG-CG1 3.84Å; F276-I290 HydrophobicContact CZ-CD1 3.9Å; F276-I290 HydrophobicContact CZ-CG1 4.47Å; F276-I290 HydrophobicContact CZ-CG2 4.19Å; E286-I290 WeakPolarHBondContact O-CD1 3.38Å; E286-I290 WeakPolarHBondContact O-CG1 3.49Å; E286-I290 PolarHBondContact O-N 3.44Å; D287-I290 PolarHBondContact O-N 3.42Å; I290-N292 VanDerWaalsContact C-N 3.34Å; I290-N292 PolarHBondContact O-N 2.88Å; I290-R293 WeakPolarHBondContact O-CB 3.28Å; I290-R293 PolarHBondContact O-N 3.15Å; I290-L294 HydrophobicContact CG2-CD1 4.2Å; I290-L294 VanDerWaalsContact O-CG 3.31Å; I290-L294 WeakPolarHBondContact O-CG 3.39Å; I290-L294 PolarHBondContact O-N 3.1Å
291	Y	98.3	Very high	96.1	Very high	56 Å²	56	33.9 Å²	33.9	22%	0.22	20%	0.197	C	C	.	.	H	α-helix	trans	-56.6	-47.1	173.8	173.8	-91.1	0	0	0	111.9	Q257 D287 D288 D289 R293 L294 A295 I301	Q257-Y291 HydrophobicContact CB-CD1 3.73Å; Q257-Y291 HydrophobicContact CB-CD2 4.15Å; Q257-Y291 HydrophobicContact CB-CE1 3.6Å; Q257-Y291 HydrophobicContact CB-CE2 4.02Å; Q257-Y291 HydrophobicContact CB-CG 4.01Å; Q257-Y291 HydrophobicContact CG-CD1 4Å; Q257-Y291 HydrophobicContact CG-CE1 3.35Å; Q257-Y291 HydrophobicContact CG-CE2 4.2Å; Q257-Y291 VanDerWaalsContact CG-CZ 3.47Å; Q257-Y291 WeakPolarHBondContact O-CD2 3.5Å; D287-Y291 PolarHBondContact O-N 3.16Å; D288-Y291 PolarHBondContact O-N 2.88Å; D289-Y291 VanDerWaalsContact C-N 3.33Å; D289-Y291 PolarHBondContact O-N 3.31Å; Y291-R293 VanDerWaalsContact C-N 3.32Å; Y291-R293 PolarHBondContact O-N 3.26Å; Y291-L294 WeakPolarHBondContact O-CB 3.42Å; Y291-L294 PolarHBondContact O-N 3.18Å; Y291-A295 HydrophobicContact CE1-CB 4.35Å; Y291-A295 WeakPolarHBondContact O-CB 3.44Å; Y291-A295 PolarHBondContact O-N 3.12Å; Y291-I301 HydrophobicContact CD2-CD1 4.1Å; Y291-I301 HydrophobicContact CD2-CG1 3.78Å; Y291-I301 HydrophobicContact CE2-CD1 4.39Å; Y291-I301 HydrophobicContact CE2-CG1 3.72Å
292	N	98.3	Very high	96.3	Very high	50 Å²	50	34 Å²	34	27%	0.267	20%	0.202	S	C	.	.	H	α-helix	trans	-61.8	-38.2	179.2	-77	-15	0	0	0	112.4	D288 D289 I290 S296 I332 T335	D288-N292 WeakPolarHBondContact O-CB 3.48Å; D288-N292 VanDerWaalsContact O-CG 3.29Å; D288-N292 PolarHBondContact O-N 3.21Å; D289-N292 WeakPolarHBondContact O-CB 3.49Å; D289-N292 PolarHBondContact O-N 3.4Å; D289-N292 VanDerWaalsContact O-N 3.07Å; I290-N292 VanDerWaalsContact C-N 3.34Å; I290-N292 PolarHBondContact O-N 2.88Å; N292-S296 WeakPolarHBondContact O-CB 3.33Å; N292-S296 PolarHBondContact O-N 2.88Å; N292-I332 WeakPolarHBondContact ND2-CG2 3.3Å; N292-I332 PolarHBondContact ND2-O 2.89Å; N292-T335 HydrophobicContact CB-CG2 3.69Å
293	R	98.6	Very high	96.7	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-63.5	-44.3	173.4	-67.2	-179.3	-174.7	-124.3	-7.3	111.9	I273 G275 D289 I290 Y291 S296 K297 T335 M339 D342	I273-R293 HydrophobicContact CB-CB 3.94Å; I273-R293 HydrophobicContact CD1-CB 4.43Å; I273-R293 HydrophobicContact CG2-CB 3.94Å; I273-R293 WeakPolarHBondContact CG2-O 3.48Å; I273-R293 PolarHBondContact O-NH1 2.86Å; G275-R293 PolarHBondContact O-NH1 3.37Å; D289-R293 WeakPolarHBondContact O-CG 3.41Å; D289-R293 PolarHBondContact O-N 3.07Å; D289-R293 IonicContact OD1-CZ 3.32Å; D289-R293 IonicContact OD1-NE 2.98Å; D289-R293 PolarHBondContact OD1-NE 2.87Å; D289-R293 IonicContact OD1-NH2 3.81Å; D289-R293 PolarHBondContact OD1-NH2 3.16Å; I290-R293 WeakPolarHBondContact O-CB 3.28Å; I290-R293 PolarHBondContact O-N 3.15Å; Y291-R293 VanDerWaalsContact C-N 3.32Å; Y291-R293 PolarHBondContact O-N 3.26Å; R293-S296 PolarHBondContact O-N 3.22Å; R293-S296 PolarHBondContact O-OG 3.12Å; R293-K297 WeakPolarHBondContact O-CG 3.45Å; R293-K297 PolarHBondContact O-N 3.08Å; R293-T335 HydrophobicContact CG-CG2 3.56Å; R293-M339 HydrophobicContact CB-CE 3.73Å; R293-M339 HydrophobicContact CB-SD 4.47Å; R293-M339 HydrophobicContact CG-CB 3.85Å; R293-M339 HydrophobicContact CG-CE 3.86Å; R293-M339 HydrophobicContact CG-SD 4.27Å; R293-M339 PolarHBondContact NH1-O 3.28Å; R293-D342 VanDerWaalsContact CZ-O 3.27Å; R293-D342 PolarHBondContact NH1-O 2.74Å; R293-D342 PolarHBondContact NH2-O 2.77Å
294	L	98.6	Very high	97.1	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-62.6	-48.4	178.3	-68.8	172.1	0	0	0	110.7	P239 F259 M265 I273 I290 Y291 S296 K297 G298 M299 I301	P239-L294 HydrophobicContact CB-CD1 3.75Å; P239-L294 HydrophobicContact CB-CD2 4Å; P239-L294 HydrophobicContact CB-CG 4.47Å; P239-L294 HydrophobicContact CG-CD1 4Å; P239-L294 HydrophobicContact CG-CD2 3.44Å; P239-L294 VanDerWaalsContact CG-CD2 3.44Å; P239-L294 HydrophobicContact CG-CG 4.21Å; F259-L294 HydrophobicContact CD1-CD1 4.13Å; F259-L294 HydrophobicContact CE1-CD1 3.67Å; F259-L294 HydrophobicContact CE2-CD1 4.33Å; F259-L294 HydrophobicContact CZ-CD1 3.78Å; M265-L294 HydrophobicContact SD-CD1 4.46Å; M265-L294 HydrophobicContact SD-CD2 3.89Å; I273-L294 HydrophobicContact CD1-CD2 4Å; I273-L294 HydrophobicContact CD1-CG 4.43Å; I273-L294 HydrophobicContact CG2-CD2 3.93Å; I290-L294 HydrophobicContact CG2-CD1 4.2Å; I290-L294 VanDerWaalsContact O-CG 3.31Å; I290-L294 WeakPolarHBondContact O-CG 3.39Å; I290-L294 PolarHBondContact O-N 3.1Å; Y291-L294 WeakPolarHBondContact O-CB 3.42Å; Y291-L294 PolarHBondContact O-N 3.18Å; L294-S296 VanDerWaalsContact C-N 3.35Å; L294-S296 PolarHBondContact O-N 3.38Å; L294-K297 CarbonylContact O-C 3.58Å; L294-K297 PolarHBondContact O-N 2.51Å; L294-K297 VanDerWaalsContact O-N 3.14Å; L294-G298 PolarHBondContact O-N 3.39Å; L294-M299 HydrophobicContact CB-CB 4.45Å; L294-M299 HydrophobicContact CD2-CE 3.41Å; L294-M299 VanDerWaalsContact CD2-CE 3.41Å; L294-M299 HydrophobicContact CD2-SD 4.22Å; L294-M299 WeakPolarHBondContact O-CB 3.15Å; L294-M299 PolarHBondContact O-N 3.4Å; L294-I301 HydrophobicContact CB-CD1 4.49Å; L294-I301 HydrophobicContact CD1-CD1 3.68Å
295	A	98.1	Very high	97.5	Very high	42 Å²	42	34.4 Å²	34.4	35%	0.347	21%	0.211	S	C	.	.	H	α-helix	trans	-61.6	-40.1	178.3	0	0	0	0	0	112.3	Y291 K297 G298	Y291-A295 HydrophobicContact CE1-CB 4.35Å; Y291-A295 WeakPolarHBondContact O-CB 3.44Å; Y291-A295 PolarHBondContact O-N 3.12Å; A295-K297 PolarHBondContact O-N 2.64Å; A295-G298 PolarHBondContact O-N 2.75Å
296	S	97.7	Very high	97.5	Very high	44 Å²	44	36.1 Å²	36.1	31%	0.308	23%	0.229	S	C	.	.	H	α-helix	trans	-66.1	-21.5	178	79.3	0	0	0	0	113.3	N292 R293 L294 M339	N292-S296 WeakPolarHBondContact O-CB 3.33Å; N292-S296 PolarHBondContact O-N 2.88Å; R293-S296 PolarHBondContact O-N 3.22Å; R293-S296 PolarHBondContact O-OG 3.12Å; L294-S296 VanDerWaalsContact C-N 3.35Å; L294-S296 PolarHBondContact O-N 3.38Å; S296-M339 PolarHBondContact OG-SD 3.15Å
297	K	98.2	Very high	97.5	Very high	89 Å²	89	42.4 Å²	42.4	39%	0.387	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	14.4	174.8	-63	-60.3	-179.3	177.7	0	113.6	K272 I273 R293 L294 A295 M299 M339	K272-K297 HydrophobicContact CD-CB 4.22Å; K272-K297 HydrophobicContact CG-CB 4.14Å; K272-K297 HydrophobicContact CG-CD 4.36Å; K272-K297 HydrophobicContact CG-CG 4.21Å; K272-K297 PolarHBondContact NZ-O 2.68Å; K272-K297 VanDerWaalsContact O-CE 3.24Å; K272-K297 WeakPolarHBondContact O-CE 3.43Å; I273-K297 HydrophobicContact CG2-CB 4.33Å; I273-K297 HydrophobicContact CG2-CG 3.89Å; R293-K297 WeakPolarHBondContact O-CG 3.45Å; R293-K297 PolarHBondContact O-N 3.08Å; L294-K297 CarbonylContact O-C 3.58Å; L294-K297 PolarHBondContact O-N 2.51Å; L294-K297 VanDerWaalsContact O-N 3.14Å; A295-K297 PolarHBondContact O-N 2.64Å; K297-M299 VanDerWaalsContact C-N 3.27Å; K297-M299 HydrophobicContact CB-CE 3.86Å; K297-M299 PolarHBondContact O-N 3.15Å; K297-M339 HydrophobicContact CG-CE 4.15Å
298	G	97.9	Very high	97.5	Very high	69 Å²	69	42.4 Å²	42.4	71%	0.711	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.4	19.1	175.7	0	0	0	0	0	114.1	L294 A295	L294-G298 PolarHBondContact O-N 3.39Å; A295-G298 PolarHBondContact O-N 2.75Å
299	M	98.6	Very high	97.5	Very high	21 Å²	21	40.8 Å²	40.8	10%	0.103	25%	0.251	C	S	.	.			trans	-92.7	143.8	176.8	-65.2	-177.1	-78	0	0	110.6	Q238 P239 Q269 K272 I273 L294 K297	Q238-M299 VanDerWaalsContact OE1-CA 3.32Å; P239-M299 HydrophobicContact CG-CB 3.91Å; P239-M299 HydrophobicContact CG-CG 4.41Å; P239-M299 HydrophobicContact CG-SD 3.8Å; Q269-M299 HydrophobicContact CB-SD 4.05Å; Q269-M299 HydrophobicContact CG-SD 3.81Å; K272-M299 HydrophobicContact CB-CE 4.47Å; K272-M299 HydrophobicContact CD-CE 4.18Å; K272-M299 HydrophobicContact CD-SD 4.37Å; I273-M299 HydrophobicContact CG2-CE 3.6Å; L294-M299 HydrophobicContact CB-CB 4.45Å; L294-M299 HydrophobicContact CD2-CE 3.41Å; L294-M299 VanDerWaalsContact CD2-CE 3.41Å; L294-M299 HydrophobicContact CD2-SD 4.22Å; L294-M299 WeakPolarHBondContact O-CB 3.15Å; L294-M299 PolarHBondContact O-N 3.4Å; K297-M299 VanDerWaalsContact C-N 3.27Å; K297-M299 HydrophobicContact CB-CE 3.86Å; K297-M299 PolarHBondContact O-N 3.15Å
300	S	97.8	Very high	97.5	Very high	71 Å²	71	44.4 Å²	44.4	50%	0.497	27%	0.266	S	S	.	.			trans	-105.9	163.5	173.4	62.2	0	0	0	0	110.1	Q238 P239	Q238-S300 WeakPolarHBondContact CB-O 3.37Å; Q238-S300 PolarHBondContact OE1-O 3.43Å; P239-S300 WeakPolarHBondContact CD-O 3.29Å
301	I	98.4	Very high	97.5	Very high	29 Å²	29	44.2 Å²	44.2	15%	0.149	27%	0.265	C	S	.	.			trans	-93.7	117.5	-179.4	-53.2	-53	0	0	0	110	P239 H241 F259 Y291 L294 R303	P239-I301 HydrophobicContact CB-CD1 4.33Å; H241-I301 HydrophobicContact CB-CG2 3.66Å; F259-I301 HydrophobicContact CD2-CD1 3.77Å; F259-I301 HydrophobicContact CD2-CG1 4.2Å; F259-I301 HydrophobicContact CD2-CG2 3.79Å; F259-I301 HydrophobicContact CE2-CD1 3.75Å; F259-I301 HydrophobicContact CE2-CG1 4.49Å; F259-I301 HydrophobicContact CE2-CG2 3.81Å; F259-I301 HydrophobicContact CZ-CD1 4.45Å; Y291-I301 HydrophobicContact CD2-CD1 4.1Å; Y291-I301 HydrophobicContact CD2-CG1 3.78Å; Y291-I301 HydrophobicContact CE2-CD1 4.39Å; Y291-I301 HydrophobicContact CE2-CG1 3.72Å; L294-I301 HydrophobicContact CB-CD1 4.49Å; L294-I301 HydrophobicContact CD1-CD1 3.68Å; I301-R303 HydrophobicContact CG2-CG 4.08Å
302	S	98.2	Very high	97.5	Very high	29 Å²	29	45.8 Å²	45.8	20%	0.203	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	138.6	168.8	179.3	0	0	0	0	110.3	P239 R240 H241	P239-S302 PolarHBondContact O-N 3.02Å; R240-S302 WeakPolarHBondContact CA-O 3.44Å; R240-S302 WeakPolarHBondContact CD-O 3.42Å; R240-S302 WeakPolarHBondContact CD-OG 3.47Å; R240-S302 PolarHBondContact NH1-OG 2.84Å; H241-S302 PolarHBondContact N-O 2.77Å
303	R	98.1	Very high	97.4	Very high	67 Å²	67	44.9 Å²	44.9	25%	0.253	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	148.6	179.7	-71	-172.9	179.9	112.6	-8	111.2	R240 H241 V244 N256 Y258 I301	R240-R303 VanDerWaalsContact CZ-C 3.43Å; R240-R303 PolarHBondContact NH1-O 2.98Å; H241-R303 HydrophobicContact CB-CG 3.99Å; H241-R303 PolarHBondContact ND1-NE 3.29Å; V244-R303 HydrophobicContact CG2-CB 3.78Å; V244-R303 HydrophobicContact CG2-CG 3.84Å; N256-R303 PolarHBondContact O-NH1 2.85Å; N256-R303 PolarHBondContact O-NH2 2.72Å; Y258-R303 PolarHBondContact O-NH2 3.11Å; I301-R303 HydrophobicContact CG2-CG 4.08Å
304	A	95	Very high	97.3	Very high	14 Å²	14	45.3 Å²	45.3	12%	0.116	27%	0.267	C	S	.	.			trans	-69.8	168.3	163.7	0	0	0	0	0	109.7	R240 V308	R240-A304 VanDerWaalsContact CZ-N 3.33Å; A304-V308 HydrophobicContact CB-CB 4.33Å; A304-V308 HydrophobicContact CB-CG1 4.23Å
305	S	96.3	Very high	96.9	Very high	64 Å²	64	55.4 Å²	55.4	45%	0.448	31%	0.306	S	S	.	.			trans	-58.8	155	165.8	70.9	0	0	0	0	110.1	E307 V308 G309	S305-E307 PolarHBondContact O-N 3.45Å; S305-E307 VanDerWaalsContact O-N 3.11Å; S305-V308 PolarHBondContact O-N 3.22Å; S305-V308 PolarHBondContact OG-N 3.5Å; S305-G309 PolarHBondContact O-N 2.9Å
306	G	93.3	Very high	96.3	Very high	41 Å²	41	56.4 Å²	56.4	42%	0.423	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-15.5	177.9	0	0	0	0	0	114.2	S245 K310	S245-G306 VanDerWaalsContact CB-O 3.3Å; S245-G306 WeakPolarHBondContact CB-O 3.42Å; S245-G306 PolarHBondContact OG-O 3.02Å; G306-K310 WeakPolarHBondContact O-CG 3.12Å
307	E	96	Very high	95.5	Very high	144 Å²	144	61.4 Å²	61.4	67%	0.673	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-49.1	175.2	-64.6	-176.7	160.6	0	0	112	S305 K310	S305-E307 PolarHBondContact O-N 3.45Å; S305-E307 VanDerWaalsContact O-N 3.11Å; E307-K310 WeakPolarHBondContact O-CG 3.45Å
308	V	97.4	Very high	94.5	Very high	22 Å²	22	63.7 Å²	63.7	13%	0.133	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-36.1	179.5	172.3	0	0	0	0	110.8	R230 N231 A304 S305 K310	R230-V308 VanDerWaalsContact C-CG1 3.49Å; R230-V308 HydrophobicContact CB-CG1 3.91Å; R230-V308 HydrophobicContact CB-CG2 4.48Å; N231-V308 HydrophobicContact CB-CG1 3.81Å; N231-V308 VanDerWaalsContact N-CG1 3.33Å; A304-V308 HydrophobicContact CB-CB 4.33Å; A304-V308 HydrophobicContact CB-CG1 4.23Å; S305-V308 PolarHBondContact O-N 3.22Å; S305-V308 PolarHBondContact OG-N 3.5Å; V308-K310 PolarHBondContact O-N 3.48Å
309	G	97.1	Very high	93.5	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	21	179.5	0	0	0	0	0	114.9	V244 S245 S305	V244-G309 PolarHBondContact N-O 3.34Å; S245-G309 WeakPolarHBondContact CB-O 3.49Å; S245-G309 PolarHBondContact N-O 3.46Å; S305-G309 PolarHBondContact O-N 2.9Å
310	K	97.9	Very high	92.5	Very high	77 Å²	77	71.2 Å²	71.2	34%	0.335	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	132.8	177.9	-77	-179.6	-179.6	168.9	0	111	M227 S245 F251 G306 E307 V308	M227-K310 HydrophobicContact CB-CB 3.97Å; M227-K310 HydrophobicContact CG-CB 4.38Å; M227-K310 PolarHBondContact N-O 3.02Å; M227-K310 HydrophobicContact SD-CB 4.12Å; S245-K310 CarbonylContact O-C 3.53Å; S245-K310 VanDerWaalsContact O-CA 3.24Å; S245-K310 WeakPolarHBondContact O-CA 3.3Å; F251-K310 HydrophobicContact CD1-CB 4.39Å; F251-K310 HydrophobicContact CD1-CD 4.14Å; F251-K310 HydrophobicContact CD1-CG 3.9Å; F251-K310 HydrophobicContact CE1-CB 4.43Å; F251-K310 HydrophobicContact CE1-CD 4.37Å; F251-K310 HydrophobicContact CE1-CG 4.32Å; G306-K310 WeakPolarHBondContact O-CG 3.12Å; E307-K310 WeakPolarHBondContact O-CG 3.45Å; V308-K310 PolarHBondContact O-N 3.48Å
311	C	97.9	Very high	91.5	Very high	0 Å²	0	70.8 Å²	70.8	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	145.9	174.3	-65.3	0	0	0	0	110.7	I225 S245 M246 D247	I225-C311 CarbonylContact O-C 3.47Å; I225-C311 WeakPolarHBondContact O-CA 3.07Å; S245-C311 PolarHBondContact O-N 3.42Å; M246-C311 WeakPolarHBondContact CA-O 3.3Å; M246-C311 HydrophobicContact CG-CB 4.18Å; D247-C311 PolarHBondContact N-O 3.21Å
312	R	97.8	Very high	90.6	Very high	88 Å²	88	70.6 Å²	70.6	33%	0.332	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	130	173.3	-156.6	179	-179.5	150.4	1.4	109.6	V115 F117 I225 M227 D247	V115-R312 HydrophobicContact CB-CB 4.36Å; V115-R312 HydrophobicContact CG1-CB 4.05Å; V115-R312 WeakPolarHBondContact O-CD 3.29Å; V115-R312 PolarHBondContact O-NH1 3.31Å; F117-R312 HydrophobicContact CE2-CB 4.33Å; F117-R312 HydrophobicContact CE2-CG 3.8Å; F117-R312 HydrophobicContact CZ-CB 4.13Å; F117-R312 HydrophobicContact CZ-CG 4.1Å; I225-R312 PolarHBondContact N-O 3.47Å; I225-R312 PolarHBondContact O-N 3.26Å; M227-R312 HydrophobicContact CG-CB 4.14Å; M227-R312 HydrophobicContact SD-CB 4.04Å; D247-R312 VanDerWaalsContact OD2-CG 3.3Å; D247-R312 WeakPolarHBondContact OD2-CG 3.5Å
313	M	96.8	Very high	90	Very high	31 Å²	31	74 Å²	74	15%	0.153	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	130.3	177.2	-170.3	-169.5	-179.5	0	0	111.1	F117 D223 L224 D247 K248 R315 H316	F117-M313 WeakPolarHBondContact CE2-O 3.5Å; D223-M313 CarbonylContact O-C 3.52Å; D223-M313 VanDerWaalsContact O-CA 3.24Å; D223-M313 WeakPolarHBondContact O-CA 3.46Å; D223-M313 WeakPolarHBondContact OD2-CE 3.43Å; L224-M313 HydrophobicContact CD2-CB 3.92Å; L224-M313 HydrophobicContact CD2-CG 4.12Å; D247-M313 WeakPolarHBondContact OD1-CB 3.38Å; D247-M313 PolarHBondContact OD1-N 3.13Å; K248-M313 HydrophobicContact CB-SD 4.14Å; K248-M313 HydrophobicContact CD-CB 4.45Å; K248-M313 HydrophobicContact CD-CE 4.49Å; K248-M313 HydrophobicContact CD-CG 4.38Å; K248-M313 HydrophobicContact CD-SD 3.27Å; K248-M313 WeakPolarHBondContact CD-SD 3.27Å; K248-M313 HydrophobicContact CG-SD 4.33Å; M313-R315 PolarHBondContact O-N 3.19Å; M313-H316 WeakPolarHBondContact CE-NE2 3.34Å
314	I	95.3	Very high	89.4	Confident	9 Å²	9	73.6 Å²	73.6	5%	0.046	36%	0.355	C	S	.	.			trans	-69	111.7	166.5	-52.3	175.3	0	0	0	107.4	F117 H162 F165 D223 H316	F117-I314 HydrophobicContact CD1-CD1 4.41Å; F117-I314 HydrophobicContact CD1-CG1 3.86Å; F117-I314 HydrophobicContact CD2-CG1 4.28Å; F117-I314 HydrophobicContact CE1-CD1 4.22Å; F117-I314 HydrophobicContact CE1-CG1 3.56Å; F117-I314 HydrophobicContact CE2-CB 4.43Å; F117-I314 HydrophobicContact CE2-CG1 3.97Å; F117-I314 HydrophobicContact CG-CG1 4.22Å; F117-I314 HydrophobicContact CZ-CG1 3.6Å; H162-I314 HydrophobicContact CB-CD1 4.02Å; F165-I314 HydrophobicContact CB-CD1 3.63Å; F165-I314 HydrophobicContact CD2-CD1 4.3Å; F165-I314 HydrophobicContact CG-CD1 4.3Å; D223-I314 HydrophobicContact CB-CB 4.07Å; D223-I314 PolarHBondContact O-N 3.23Å; I314-H316 PolarHBondContact O-CD2 3.37Å
315	R	90.3	Very high	88.8	Confident	213 Å²	213	73.4 Å²	73.4	80%	0.804	35%	0.352	S	S	*	.			trans	-68.6	137.3	-174.9	-64.7	-175.8	-179.6	-179.1	-0.4	111	M313	M313-R315 PolarHBondContact O-N 3.19Å
316	H	85.7	Confident	88	Confident	63 Å²	63	76 Å²	76	29%	0.292	37%	0.368	S	S	.	.			trans	-151.7	158.4	174.5	65.8	83.8	0	0	0	110.7	R159 H162 D223 M313 I314	R159-H316 PolarHBondContact NH1-CD2 3.01Å; R159-H316 VanDerWaalsContact NH1-CD2 3.29Å; R159-H316 PolarHBondContact NH1-ND1 3.33Å; R159-H316 PolarHBondContact NH2-CD2 2.87Å; R159-H316 PolarHBondContact NH2-CE1 2.83Å; R159-H316 VanDerWaalsContact NH2-CG 3.28Å; R159-H316 PolarHBondContact NH2-ND1 2.77Å; R159-H316 PolarHBondContact NH2-NE2 2.84Å; H162-H316 AromaticContact CE1-CD2 3.74Å; D223-H316 IonicContact OD2-CD2 2.76Å; D223-H316 IonicContact OD2-NE2 3.67Å; D223-H316 PolarHBondContact OD2-NE2 3.28Å; M313-H316 WeakPolarHBondContact CE-NE2 3.34Å; I314-H316 PolarHBondContact O-CD2 3.37Å
317	N	82	Confident	87.5	Confident	149 Å²	149	78.7 Å²	78.7	80%	0.797	37%	0.369	S	S	*	.	P	Polyproline II helix	trans	-71.8	153.5	168.3	-66.5	-31.8	0	0	0	109.9	D319	N317-D319 PolarHBondContact O-N 2.87Å
318	R	77.1	Confident	87	Confident	137 Å²	137	74.7 Å²	74.7	52%	0.517	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-58.4	132.2	175.8	-177.7	170.9	-95.3	163.4	-6.9	109.9	W283	W283-R318 VanDerWaalsContact CE2-NH2 3.34Å
319	D	77.4	Confident	86.5	Confident	61 Å²	61	80.4 Å²	80.4	33%	0.326	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-70	144.2	-179.2	-60.9	-39.5	0	0	0	110.8	R159 N317 N322	R159-D319 IonicContact CZ-OD1 2.71Å; R159-D319 VanDerWaalsContact CZ-OD1 3.3Å; R159-D319 IonicContact CZ-OD2 3.47Å; R159-D319 IonicContact NE-OD1 3.99Å; R159-D319 PolarHBondContact NE-OD1 3.4Å; R159-D319 IonicContact NE-OD2 3.63Å; R159-D319 PolarHBondContact NE-OD2 3.46Å; R159-D319 IonicContact NH2-OD1 2.67Å; R159-D319 PolarHBondContact NH2-OD1 3.31Å; R159-D319 IonicContact NH2-OD2 3.08Å; R159-D319 PolarHBondContact NH2-OD2 3.05Å; N317-D319 PolarHBondContact O-N 2.87Å; D319-N322 HydrophobicContact CB-CB 4.15Å; D319-N322 PolarHBondContact O-N 3.47Å
320	K	77.1	Confident	86	Confident	187 Å²	187	84.9 Å²	84.9	81%	0.813	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	144.4	165	-63.2	-177.2	178.8	-177.7	0	109.1	N322	K320-N322 PolarHBondContact O-N 3.01Å
321	K	76.3	Confident	85.5	Confident	61 Å²	61	83.8 Å²	83.8	27%	0.265	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.9	28.7	-178.4	-53.5	162.8	179.8	158.1	0	113.4	R157 G191 D192 F195 E323	R157-K321 PolarHBondContact NH2-O 2.86Å; G191-K321 PolarHBondContact O-NZ 3.22Å; D192-K321 VanDerWaalsContact CA-CE 3.5Å; D192-K321 VanDerWaalsContact CA-NZ 3.33Å; D192-K321 WeakPolarHBondContact O-CD 3.39Å; D192-K321 WeakPolarHBondContact O-CE 3.46Å; D192-K321 WeakPolarHBondContact OD1-CE 3.48Å; D192-K321 IonicContact OD1-NZ 2.91Å; D192-K321 PolarHBondContact OD1-NZ 2.87Å; F195-K321 PolarHBondContact N-O 3.01Å; K321-E323 WeakPolarHBondContact CA-OE2 3.47Å; K321-E323 PolarHBondContact N-OE1 3.08Å; K321-E323 PolarHBondContact N-OE2 3.19Å
322	N	80.9	Confident	85.1	Confident	26 Å²	26	85.3 Å²	85.3	14%	0.139	40%	0.397	C	S	.	.			trans	-138.6	40.4	170.2	-163.2	18.9	0	0	0	109.1	W283 D319 K320	W283-N322 WeakPolarHBondContact CB-O 3.31Å; W283-N322 WeakPolarHBondContact CB-OD1 3.39Å; W283-N322 PolarHBondContact N-OD1 2.9Å; D319-N322 HydrophobicContact CB-CB 4.15Å; D319-N322 PolarHBondContact O-N 3.47Å; K320-N322 PolarHBondContact O-N 3.01Å
323	E	84.6	Confident	84.8	Confident	101 Å²	101	84.7 Å²	84.7	47%	0.472	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-65.4	154.6	175.2	-61.8	74.7	-160.6	0	0	109.9	W283 K321 N325	W283-E323 PolarHBondContact N-O 3.02Å; K321-E323 WeakPolarHBondContact CA-OE2 3.47Å; K321-E323 PolarHBondContact N-OE1 3.08Å; K321-E323 PolarHBondContact N-OE2 3.19Å; E323-N325 PolarHBondContact O-N 3.5Å
324	P	85.1	Confident	84.6	Confident	58 Å²	58	86.4 Å²	86.4	38%	0.377	42%	0.418	S	S	.	.	B	Isolated β-bridge	trans	-52.7	125.5	176.3	-25.9	34.9	0	0	0	112.1	W283 P326	W283-P324 HydrophobicContact CE3-CB 4.16Å; W283-P324 HydrophobicContact CE3-CG 4.33Å; W283-P324 WeakPolarHBondContact O-CA 3.17Å; P324-P326 VanDerWaalsContact O-CD 3.3Å; P324-P326 WeakPolarHBondContact O-CD 3.17Å
325	N	82.2	Confident	84.6	Confident	9 Å²	9	86 Å²	86	5%	0.048	42%	0.416	C	S	.	.	P	Polyproline II helix	trans	-64.5	116.7	177	179.6	-9.1	0	0	0	109.2	W281 W283 E323 Q327 R328	W281-N325 WeakPolarHBondContact O-CB 3.41Å; W283-N325 PolarHBondContact O-N 3.04Å; E323-N325 PolarHBondContact O-N 3.5Å; N325-Q327 PolarHBondContact O-N 3.31Å; N325-Q327 PolarHBondContact OD1-N 2.93Å; N325-R328 HydrophobicContact CB-CB 4.27Å; N325-R328 WeakPolarHBondContact O-CB 3.43Å; N325-R328 WeakPolarHBondContact O-CG 3.49Å; N325-R328 PolarHBondContact O-N 3.46Å
326	P	80.9	Confident	84.8	Confident	120 Å²	120	85.1 Å²	85.1	78%	0.779	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-23.5	-177	26.8	-33.6	0	0	0	112.5	P324	P324-P326 VanDerWaalsContact O-CD 3.3Å; P324-P326 WeakPolarHBondContact O-CD 3.17Å
327	Q	82	Confident	85.2	Confident	96 Å²	96	88 Å²	88	45%	0.449	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	2.9	-177	-59.6	177.5	25.2	0	0	112.9	N325 F329 D330 R331	N325-Q327 PolarHBondContact O-N 3.31Å; N325-Q327 PolarHBondContact OD1-N 2.93Å; Q327-F329 PolarHBondContact O-N 3.09Å; Q327-D330 PolarHBondContact O-N 3.06Å; Q327-R331 HydrophobicContact CB-CG 4.31Å; Q327-R331 WeakPolarHBondContact O-CG 3.34Å; Q327-R331 PolarHBondContact O-N 3.46Å; Q327-R331 VanDerWaalsContact OE1-CZ 3.28Å
328	R	84.4	Confident	85.9	Confident	61 Å²	61	83 Å²	83	23%	0.23	40%	0.401	C	S	.	.	H	α-helix	trans	-56.5	-43.8	-170.6	69.6	-178.1	179.1	-126.6	-5	113.9	G284 N325 R331 I332	G284-R328 VanDerWaalsContact O-CB 3.27Å; G284-R328 WeakPolarHBondContact O-CB 3.31Å; N325-R328 HydrophobicContact CB-CB 4.27Å; N325-R328 WeakPolarHBondContact O-CB 3.43Å; N325-R328 WeakPolarHBondContact O-CG 3.49Å; N325-R328 PolarHBondContact O-N 3.46Å; R328-R331 PolarHBondContact O-N 3.24Å; R328-I332 VanDerWaalsContact O-CD1 3.3Å; R328-I332 WeakPolarHBondContact O-CD1 3.45Å; R328-I332 WeakPolarHBondContact O-CG1 3.08Å; R328-I332 PolarHBondContact O-N 2.92Å
329	F	87.3	Confident	86.8	Confident	142 Å²	142	77 Å²	77	62%	0.623	38%	0.379	S	S	*	.	H	α-helix	trans	-72.5	-38.3	-176.1	-65.4	-66.6	0	0	0	111.8	Q327 I332 A333	Q327-F329 PolarHBondContact O-N 3.09Å; F329-I332 PolarHBondContact O-N 3.4Å; F329-A333 PolarHBondContact O-N 2.68Å; F329-A333 VanDerWaalsContact O-N 3.08Å
330	D	86.8	Confident	87.8	Confident	93 Å²	93	79.2 Å²	79.2	50%	0.497	39%	0.387	S	S	.	.	H	α-helix	trans	-61.9	-47.6	174.1	-179	66	0	0	0	110.7	Q327 I332 A333 H334	Q327-D330 PolarHBondContact O-N 3.06Å; D330-I332 PolarHBondContact O-N 3.36Å; D330-A333 WeakPolarHBondContact O-CB 3.32Å; D330-A333 PolarHBondContact O-N 3.05Å; D330-A333 VanDerWaalsContact O-N 3.15Å; D330-H334 PolarHBondContact O-N 2.88Å; D330-H334 PolarHBondContact O-ND1 2.91Å; D330-H334 IonicContact OD1-CE1 3.43Å; D330-H334 PolarHBondContact OD1-CE1 3.36Å; D330-H334 IonicContact OD1-ND1 3.28Å; D330-H334 PolarHBondContact OD1-ND1 3.28Å
331	R	88.8	Confident	88.8	Confident	55 Å²	55	77.4 Å²	77.4	21%	0.208	38%	0.379	C	S	.	.	H	α-helix	trans	-62.2	-41.5	178.1	-66.4	177.3	-178.5	-73.6	0.2	112.7	N279 Y280 Q327 R328 A333 H334 T335	N279-R331 PolarHBondContact ND2-NH1 3.49Å; N279-R331 PolarHBondContact O-NE 3Å; N279-R331 PolarHBondContact OD1-NH1 3.48Å; Y280-R331 HydrophobicContact CE1-CB 4.08Å; Y280-R331 HydrophobicContact CE2-CB 3.89Å; Y280-R331 VanDerWaalsContact CZ-CB 3.43Å; Y280-R331 VanDerWaalsContact OH-C 3.28Å; Y280-R331 WeakPolarHBondContact OH-CB 3.27Å; Q327-R331 HydrophobicContact CB-CG 4.31Å; Q327-R331 WeakPolarHBondContact O-CG 3.34Å; Q327-R331 PolarHBondContact O-N 3.46Å; Q327-R331 VanDerWaalsContact OE1-CZ 3.28Å; R328-R331 PolarHBondContact O-N 3.24Å; R331-A333 VanDerWaalsContact C-N 3.3Å; R331-A333 PolarHBondContact O-N 3.47Å; R331-H334 CarbonylContact O-C 3.47Å; R331-H334 PolarHBondContact O-N 3.35Å; R331-H334 VanDerWaalsContact O-N 3.12Å; R331-T335 PolarHBondContact O-N 3.48Å; R331-T335 VanDerWaalsContact O-N 3.15Å
332	I	89.4	Confident	89.8	Confident	32 Å²	32	75.3 Å²	75.3	16%	0.164	37%	0.371	C	S	.	.	H	α-helix	trans	-60.1	-40	175.3	-69.4	162.8	0	0	0	111.2	Y280 G285 D288 N292 R328 F329 D330 H334 T335	Y280-I332 PolarHBondContact OH-N 3.22Å; G285-I332 WeakPolarHBondContact O-CG1 3.43Å; D288-I332 HydrophobicContact CB-CD1 3.78Å; D288-I332 HydrophobicContact CB-CG1 4.02Å; D288-I332 HydrophobicContact CB-CG2 4.45Å; N292-I332 WeakPolarHBondContact ND2-CG2 3.3Å; N292-I332 PolarHBondContact ND2-O 2.89Å; R328-I332 VanDerWaalsContact O-CD1 3.3Å; R328-I332 WeakPolarHBondContact O-CD1 3.45Å; R328-I332 WeakPolarHBondContact O-CG1 3.08Å; R328-I332 PolarHBondContact O-N 2.92Å; F329-I332 PolarHBondContact O-N 3.4Å; D330-I332 PolarHBondContact O-N 3.36Å; I332-H334 PolarHBondContact O-N 3.46Å; I332-T335 PolarHBondContact O-N 3.47Å; I332-T335 PolarHBondContact O-OG1 3.29Å
333	A	91.3	Very high	90.6	Very high	75 Å²	75	74.1 Å²	74.1	62%	0.62	37%	0.365	S	S	*	.	H	α-helix	trans	-64.5	-32.6	178.5	0	0	0	0	0	112	F329 D330 R331	F329-A333 PolarHBondContact O-N 2.68Å; F329-A333 VanDerWaalsContact O-N 3.08Å; D330-A333 WeakPolarHBondContact O-CB 3.32Å; D330-A333 PolarHBondContact O-N 3.05Å; D330-A333 VanDerWaalsContact O-N 3.15Å; R331-A333 VanDerWaalsContact C-N 3.3Å; R331-A333 PolarHBondContact O-N 3.47Å
334	H	92.4	Very high	91.2	Very high	66 Å²	66	70.7 Å²	70.7	31%	0.306	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	15.2	-176.6	-57.9	94.2	0	0	0	113.9	D330 R331 I332 R336 E337 T338	D330-H334 PolarHBondContact O-N 2.88Å; D330-H334 PolarHBondContact O-ND1 2.91Å; D330-H334 IonicContact OD1-CE1 3.43Å; D330-H334 PolarHBondContact OD1-CE1 3.36Å; D330-H334 IonicContact OD1-ND1 3.28Å; D330-H334 PolarHBondContact OD1-ND1 3.28Å; R331-H334 CarbonylContact O-C 3.47Å; R331-H334 PolarHBondContact O-N 3.35Å; R331-H334 VanDerWaalsContact O-N 3.12Å; I332-H334 PolarHBondContact O-N 3.46Å; H334-R336 VanDerWaalsContact C-N 3.31Å; H334-R336 PolarHBondContact O-N 3.13Å; H334-E337 IonicContact CD2-OE1 3.69Å; H334-E337 IonicContact CD2-OE2 3.22Å; H334-E337 PolarHBondContact CD2-OE2 2.96Å; H334-E337 PolarHBondContact O-N 3.29Å; H334-E337 VanDerWaalsContact O-N 3.15Å; H334-T338 HydrophobicContact CB-CG2 4.42Å; H334-T338 WeakPolarHBondContact O-CG2 3.26Å; H334-T338 PolarHBondContact O-N 2.99Å; H334-T338 PolarHBondContact O-OG1 3.22Å
335	T	95.1	Very high	91.9	Very high	1 Å²	1	72.9 Å²	72.9	1%	0.006	36%	0.358	C	S	.	.	H	α-helix	trans	-53.7	-46.1	-179.9	-59.1	0	0	0	0	112.3	D289 N292 R293 R331 I332 E337 T338 M339	D289-T335 VanDerWaalsContact OD2-CB 3.27Å; D289-T335 WeakPolarHBondContact OD2-CB 3.33Å; D289-T335 VanDerWaalsContact OD2-CG2 3.29Å; D289-T335 WeakPolarHBondContact OD2-CG2 3.1Å; D289-T335 PolarHBondContact OD2-OG1 3.18Å; N292-T335 HydrophobicContact CB-CG2 3.69Å; R293-T335 HydrophobicContact CG-CG2 3.56Å; R331-T335 PolarHBondContact O-N 3.48Å; R331-T335 VanDerWaalsContact O-N 3.15Å; I332-T335 PolarHBondContact O-N 3.47Å; I332-T335 PolarHBondContact O-OG1 3.29Å; T335-E337 PolarHBondContact O-N 2.98Å; T335-T338 PolarHBondContact O-N 3.24Å; T335-T338 PolarHBondContact O-OG1 2.69Å; T335-M339 VanDerWaalsContact O-CB 3.28Å; T335-M339 WeakPolarHBondContact O-CB 2.96Å; T335-M339 PolarHBondContact O-N 2.93Å
336	R	93.3	Very high	92.6	Very high	194 Å²	194	74.6 Å²	74.6	73%	0.732	37%	0.37	S	S	*	.	H	α-helix	trans	-63	-34.1	-176.9	-69.9	-177	177.4	-173.9	-0.8	112.4	H334	H334-R336 VanDerWaalsContact C-N 3.31Å; H334-R336 PolarHBondContact O-N 3.13Å
337	E	95.6	Very high	93.5	Very high	124 Å²	124	70.1 Å²	70.1	58%	0.579	34%	0.34	S	S	*	.	H	α-helix	trans	-78.3	-30.3	-179.5	-63.4	172.9	-159.5	0	0	112.1	H334 T335 H340	H334-E337 IonicContact CD2-OE1 3.69Å; H334-E337 IonicContact CD2-OE2 3.22Å; H334-E337 PolarHBondContact CD2-OE2 2.96Å; H334-E337 PolarHBondContact O-N 3.29Å; H334-E337 VanDerWaalsContact O-N 3.15Å; T335-E337 PolarHBondContact O-N 2.98Å; E337-H340 PolarHBondContact O-CE1 3.04Å; E337-H340 PolarHBondContact O-ND1 3.24Å
338	T	95.6	Very high	94.2	Very high	45 Å²	45	70.1 Å²	70.1	28%	0.276	35%	0.347	S	S	.	.	H	α-helix	trans	-101.9	-24.3	-171.2	55.9	0	0	0	0	113.7	H334 T335 H340 K341 D342	H334-T338 HydrophobicContact CB-CG2 4.42Å; H334-T338 WeakPolarHBondContact O-CG2 3.26Å; H334-T338 PolarHBondContact O-N 2.99Å; H334-T338 PolarHBondContact O-OG1 3.22Å; T335-T338 PolarHBondContact O-N 3.24Å; T335-T338 PolarHBondContact O-OG1 2.69Å; T338-H340 PolarHBondContact O-N 3.16Å; T338-K341 WeakPolarHBondContact O-CA 3.34Å; T338-K341 PolarHBondContact O-N 3.47Å; T338-D342 PolarHBondContact O-N 2.97Å
339	M	97.4	Very high	94.9	Very high	11 Å²	11	70 Å²	70	5%	0.054	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-25.9	-170.2	67.5	177.9	-63	0	0	115.4	I273 N274 R293 S296 K297 T335	I273-M339 HydrophobicContact CB-CE 4.27Å; I273-M339 HydrophobicContact CG2-CE 4.44Å; N274-M339 PolarHBondContact ND2-O 2.94Å; R293-M339 HydrophobicContact CB-CE 3.73Å; R293-M339 HydrophobicContact CB-SD 4.47Å; R293-M339 HydrophobicContact CG-CB 3.85Å; R293-M339 HydrophobicContact CG-CE 3.86Å; R293-M339 HydrophobicContact CG-SD 4.27Å; R293-M339 PolarHBondContact NH1-O 3.28Å; S296-M339 PolarHBondContact OG-SD 3.15Å; K297-M339 HydrophobicContact CG-CE 4.15Å; T335-M339 VanDerWaalsContact O-CB 3.28Å; T335-M339 WeakPolarHBondContact O-CB 2.96Å; T335-M339 PolarHBondContact O-N 2.93Å
340	H	96.9	Very high	95.4	Very high	107 Å²	107	66.7 Å²	66.7	50%	0.495	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-15.3	177.3	66.7	-81.9	0	0	0	113.3	E337 T338 N345	E337-H340 PolarHBondContact O-CE1 3.04Å; E337-H340 PolarHBondContact O-ND1 3.24Å; T338-H340 PolarHBondContact O-N 3.16Å; H340-N345 PolarHBondContact O-ND2 3.43Å
341	K	97.8	Very high	95.9	Very high	148 Å²	148	66.2 Å²	66.2	64%	0.643	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.6	-28.7	179.1	-61.8	178.1	-179.3	172.7	0	112.8	T338 S346	T338-K341 WeakPolarHBondContact O-CA 3.34Å; T338-K341 PolarHBondContact O-N 3.47Å; K341-S346 WeakPolarHBondContact O-CB 3.45Å; K341-S346 PolarHBondContact O-OG 3.25Å
342	D	98.1	Very high	96.4	Very high	18 Å²	18	66.9 Å²	66.9	10%	0.096	35%	0.348	C	S	.	.	S	Bend	trans	-116.6	109.6	179	-177.7	30	0	0	0	110.9	P277 N278 N279 R293 T338 S346	P277-D342 WeakPolarHBondContact CA-OD2 3.37Å; P277-D342 WeakPolarHBondContact CB-OD2 3.46Å; N278-D342 VanDerWaalsContact CB-OD1 3.26Å; N278-D342 WeakPolarHBondContact CB-OD1 3.37Å; N278-D342 VanDerWaalsContact N-CG 3.34Å; N278-D342 PolarHBondContact N-OD1 2.99Å; N278-D342 PolarHBondContact N-OD2 2.93Å; N278-D342 PolarHBondContact ND2-OD1 3.5Å; N279-D342 PolarHBondContact N-OD2 3.27Å; N279-D342 PolarHBondContact ND2-OD2 3.45Å; N279-D342 PolarHBondContact OD1-OD2 2.95Å; R293-D342 VanDerWaalsContact CZ-O 3.27Å; R293-D342 PolarHBondContact NH1-O 2.74Å; R293-D342 PolarHBondContact NH2-O 2.77Å; T338-D342 PolarHBondContact O-N 2.97Å; D342-S346 WeakPolarHBondContact CA-OG 3.23Å
343	G	98.4	Very high	96.8	Very high	0 Å²	0	71.4 Å²	71.4	0%	0	36%	0.363	C	S	.	.	S	Bend	trans	176	-153.5	-175.9	0	0	0	0	0	112.7	N274 F276 N278 N345 S346 L347	N274-G343 WeakPolarHBondContact ND2-CA 3.38Å; N274-G343 CarbonylContact O-C 3.4Å; N274-G343 WeakPolarHBondContact O-CA 3.36Å; F276-G343 WeakPolarHBondContact O-CA 3.28Å; N278-G343 PolarHBondContact ND2-N 3.33Å; N278-G343 PolarHBondContact ND2-O 3.26Å; G343-N345 PolarHBondContact O-N 3.38Å; G343-S346 PolarHBondContact N-OG 3.31Å; G343-S346 VanDerWaalsContact N-OG 3.1Å; G343-S346 PolarHBondContact O-N 3.25Å; G343-S346 VanDerWaalsContact O-N 3.13Å; G343-S346 PolarHBondContact O-OG 2.95Å; G343-L347 PolarHBondContact O-N 3.09Å; G343-L347 VanDerWaalsContact O-N 3.16Å
344	I	97.4	Very high	97.1	Very high	29 Å²	29	70.7 Å²	70.7	15%	0.149	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-58.2	-37.1	175.8	-61	166.5	0	0	0	110.8	Y205 M206 Y270 L271 N274 S346 L347	Y205-I344 HydrophobicContact CD1-CD1 3.99Å; Y205-I344 HydrophobicContact CE1-CD1 3.86Å; M206-I344 HydrophobicContact CG-CG2 4.28Å; M206-I344 HydrophobicContact SD-CG2 3.65Å; Y270-I344 HydrophobicContact CD1-CD1 3.46Å; Y270-I344 VanDerWaalsContact CD1-CD1 3.46Å; Y270-I344 HydrophobicContact CE1-CD1 3.3Å; Y270-I344 HydrophobicContact CE1-CG1 3.93Å; L271-I344 HydrophobicContact CD2-CD1 4.34Å; N274-I344 PolarHBondContact O-N 3.44Å; N274-I344 PolarHBondContact OD1-N 3.28Å; I344-S346 PolarHBondContact O-N 3.14Å; I344-L347 VanDerWaalsContact O-CB 3.3Å; I344-L347 WeakPolarHBondContact O-CB 3.41Å; I344-L347 PolarHBondContact O-N 2.79Å
345	N	98	Very high	97.4	Very high	104 Å²	104	70.2 Å²	70.2	56%	0.556	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-64.1	-20	-179.9	69	-14.4	0	0	0	114.8	N274 H340 G343	N274-N345 PolarHBondContact ND2-ND2 2.82Å; N274-N345 PolarHBondContact ND2-OD1 3.18Å; N274-N345 WeakPolarHBondContact OD1-CB 3.48Å; N274-N345 VanDerWaalsContact OD1-CG 3.3Å; N274-N345 PolarHBondContact OD1-N 3.02Å; N274-N345 VanDerWaalsContact OD1-N 3.16Å; N274-N345 PolarHBondContact OD1-OD1 3.26Å; H340-N345 PolarHBondContact O-ND2 3.43Å; G343-N345 PolarHBondContact O-N 3.38Å
346	S	98.3	Very high	97.5	Very high	45 Å²	45	76 Å²	76	32%	0.315	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-115.4	10.7	177.6	65.5	0	0	0	0	112.7	N278 K341 D342 G343 I344 T348	N278-S346 PolarHBondContact ND2-OG 3.29Å; K341-S346 WeakPolarHBondContact O-CB 3.45Å; K341-S346 PolarHBondContact O-OG 3.25Å; D342-S346 WeakPolarHBondContact CA-OG 3.23Å; G343-S346 PolarHBondContact N-OG 3.31Å; G343-S346 VanDerWaalsContact N-OG 3.1Å; G343-S346 PolarHBondContact O-N 3.25Å; G343-S346 VanDerWaalsContact O-N 3.13Å; G343-S346 PolarHBondContact O-OG 2.95Å; I344-S346 PolarHBondContact O-N 3.14Å; S346-T348 PolarHBondContact O-N 2.93Å
347	L	98.4	Very high	97.8	Very high	26 Å²	26	70 Å²	70	14%	0.136	36%	0.356	C	S	.	.			trans	-66	117.6	-178.5	178.9	67.2	0	0	0	110.6	K199 N202 V203 M206 N278 G343 I344 Y349	K199-L347 HydrophobicContact CG-CD1 3.88Å; N202-L347 HydrophobicContact CB-CD1 3.82Å; N202-L347 HydrophobicContact CB-CD2 3.93Å; N202-L347 HydrophobicContact CB-CG 4.41Å; V203-L347 HydrophobicContact CG2-CD1 4.11Å; V203-L347 HydrophobicContact CG2-CD2 4.4Å; M206-L347 HydrophobicContact CG-CD2 3.8Å; N278-L347 VanDerWaalsContact OD1-CD1 3.29Å; N278-L347 WeakPolarHBondContact OD1-CD1 3.02Å; G343-L347 PolarHBondContact O-N 3.09Å; G343-L347 VanDerWaalsContact O-N 3.16Å; I344-L347 VanDerWaalsContact O-CB 3.3Å; I344-L347 WeakPolarHBondContact O-CB 3.41Å; I344-L347 PolarHBondContact O-N 2.79Å; L347-Y349 HydrophobicContact CD1-CD1 4.29Å; L347-Y349 HydrophobicContact CD2-CD1 4.02Å; L347-Y349 HydrophobicContact CD2-CE1 3.71Å; L347-Y349 HydrophobicContact CG-CD1 3.81Å; L347-Y349 HydrophobicContact CG-CE1 3.98Å
348	T	97.9	Very high	97.9	Very high	97 Å²	97	67.7 Å²	67.7	60%	0.595	35%	0.348	S	S	*	.			trans	-120.6	130.7	173.8	56.3	0	0	0	0	110.7	K199 S346	K199-T348 WeakPolarHBondContact CE-O 3.35Å; K199-T348 PolarHBondContact NZ-O 2.93Å; S346-T348 PolarHBondContact O-N 2.93Å
349	Y	98.2	Very high	98	Very high	59 Å²	59	65.8 Å²	65.8	23%	0.231	34%	0.336	C	S	.	.			trans	-162.8	159.9	175.8	65.1	-76.8	0	0	0	110	V203 E207 L347 V365 D366	V203-Y349 HydrophobicContact CG1-CD2 4.12Å; V203-Y349 HydrophobicContact CG1-CE2 3.96Å; V203-Y349 HydrophobicContact CG2-CD1 3.77Å; V203-Y349 HydrophobicContact CG2-CD2 4.08Å; V203-Y349 HydrophobicContact CG2-CE1 4.16Å; V203-Y349 HydrophobicContact CG2-CE2 4.43Å; V203-Y349 HydrophobicContact CG2-CG 3.73Å; E207-Y349 HydrophobicContact CG-CE2 4.49Å; E207-Y349 WeakPolarHBondContact OE1-CE2 3.47Å; E207-Y349 VanDerWaalsContact OE1-CZ 3.32Å; E207-Y349 PolarHBondContact OE1-OH 3.21Å; L347-Y349 HydrophobicContact CD1-CD1 4.29Å; L347-Y349 HydrophobicContact CD2-CD1 4.02Å; L347-Y349 HydrophobicContact CD2-CE1 3.71Å; L347-Y349 HydrophobicContact CG-CD1 3.81Å; L347-Y349 HydrophobicContact CG-CE1 3.98Å; Y349-V365 HydrophobicContact CD2-CB 4.24Å; Y349-V365 HydrophobicContact CD2-CG1 3.85Å; Y349-V365 HydrophobicContact CE2-CG1 4.28Å; Y349-D366 CarbonylContact C-O 3.5Å; Y349-D366 WeakPolarHBondContact CA-O 2.84Å; Y349-D366 WeakPolarHBondContact CB-O 3.38Å
350	S	98.1	Very high	98.1	Very high	71 Å²	71	65.9 Å²	65.9	50%	0.497	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	127.3	170	-58.1	0	0	0	0	109.4	V352 V365 D366	S350-V352 PolarHBondContact O-N 3.28Å; S350-V365 WeakPolarHBondContact O-CA 3.48Å; S350-D366 PolarHBondContact N-O 2.66Å; S350-D366 PolarHBondContact O-N 2.83Å
351	L	98.1	Very high	98.2	Very high	84 Å²	84	61 Å²	61	44%	0.44	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	115.6	172	-176.9	65.3	0	0	0	109.1	V354 I363 V365	L351-V354 HydrophobicContact CD1-CG2 3.81Å; L351-V354 HydrophobicContact CD2-CG2 3.97Å; L351-V354 HydrophobicContact CG-CG2 4.27Å; L351-I363 HydrophobicContact CD1-CG2 3.51Å; L351-V365 HydrophobicContact CD1-CG1 4.11Å
352	V	98.1	Very high	98.2	Very high	69 Å²	69	55.6 Å²	55.6	42%	0.418	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	-48.2	-179.3	-180	0	0	0	0	110.4	S350 T364 D366	S350-V352 PolarHBondContact O-N 3.28Å; V352-T364 WeakPolarHBondContact CA-O 3.49Å; V352-T364 HydrophobicContact CB-CG2 4.13Å; V352-T364 WeakPolarHBondContact CB-O 3.48Å; V352-T364 HydrophobicContact CG1-CG2 4.38Å; V352-T364 PolarHBondContact N-O 2.99Å; V352-D366 HydrophobicContact CG2-CB 4.28Å
353	R	97.8	Very high	98.2	Very high	126 Å²	126	54.9 Å²	54.9	48%	0.475	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	145.6	-176.7	-164.9	170	65	-135.9	9	112.3	E355 I363 T364	R353-E355 HydrophobicContact CG-CG 4.03Å; R353-E355 IonicContact CZ-OE2 2.66Å; R353-E355 VanDerWaalsContact CZ-OE2 3.22Å; R353-E355 IonicContact NE-OE1 3.9Å; R353-E355 IonicContact NE-OE2 2.85Å; R353-E355 PolarHBondContact NE-OE2 3.47Å; R353-E355 IonicContact NH2-OE1 3.99Å; R353-E355 IonicContact NH2-OE2 3.91Å; R353-E355 PolarHBondContact NH2-OE2 2.76Å; R353-I363 CarbonylContact O-C 3.6Å; R353-T364 PolarHBondContact N-O 2.91Å; R353-T364 VanDerWaalsContact N-O 3.14Å; R353-T364 PolarHBondContact O-N 3.45Å
354	V	98.4	Very high	98.3	Very high	61 Å²	61	55.2 Å²	55.2	37%	0.37	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	127.6	169.3	-178.2	0	0	0	0	108.8	L351 T361 I363	L351-V354 HydrophobicContact CD1-CG2 3.81Å; L351-V354 HydrophobicContact CD2-CG2 3.97Å; L351-V354 HydrophobicContact CG-CG2 4.27Å; V354-T361 HydrophobicContact CG1-CG2 3.94Å; V354-I363 HydrophobicContact CG1-CG1 4.5Å; V354-I363 HydrophobicContact CG2-CG2 4.39Å
355	E	98.2	Very high	98.3	Very high	55 Å²	55	53.8 Å²	53.8	26%	0.257	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	111.4	179.7	-61.7	170.7	91	0	0	109.2	R353 L357 T361 K362	R353-E355 HydrophobicContact CG-CG 4.03Å; R353-E355 IonicContact CZ-OE2 2.66Å; R353-E355 VanDerWaalsContact CZ-OE2 3.22Å; R353-E355 IonicContact NE-OE1 3.9Å; R353-E355 IonicContact NE-OE2 2.85Å; R353-E355 PolarHBondContact NE-OE2 3.47Å; R353-E355 IonicContact NH2-OE1 3.99Å; R353-E355 IonicContact NH2-OE2 3.91Å; R353-E355 PolarHBondContact NH2-OE2 2.76Å; E355-L357 HydrophobicContact CB-CD2 4.44Å; E355-L357 HydrophobicContact CB-CG 4.29Å; E355-L357 PolarHBondContact O-N 2.94Å; E355-T361 CarbonylContact O-C 3.58Å; E355-T361 WeakPolarHBondContact O-CA 3.27Å; E355-K362 HydrophobicContact CB-CB 4.29Å; E355-K362 PolarHBondContact N-O 3.38Å; E355-K362 PolarHBondContact O-N 2.72Å
356	K	98.1	Very high	98.3	Very high	122 Å²	122	51.9 Å²	51.9	53%	0.53	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	87.2	173.5	-64.9	-171.7	179.9	-172.3	0	109.1	E211 T361	E211-K356 VanDerWaalsContact CD-NZ 3.27Å; E211-K356 VanDerWaalsContact OE1-CE 3.23Å; E211-K356 WeakPolarHBondContact OE1-CE 3.49Å; E211-K356 IonicContact OE1-NZ 3.36Å; E211-K356 PolarHBondContact OE1-NZ 3.32Å; E211-K356 VanDerWaalsContact OE1-NZ 3.08Å; E211-K356 WeakPolarHBondContact OE2-CE 3.36Å; E211-K356 IonicContact OE2-NZ 3.32Å; E211-K356 PolarHBondContact OE2-NZ 2.91Å; K356-T361 HydrophobicContact CG-CG2 4.4Å
357	L	98.2	Very high	98.2	Very high	68 Å²	68	49.9 Å²	49.9	36%	0.356	26%	0.256	S	S	.	.			trans	-83.1	168	177.7	-56.7	170.3	0	0	0	110.2	G136 E355 L359 F360 K362	G136-L357 VanDerWaalsContact CA-O 3.24Å; G136-L357 WeakPolarHBondContact CA-O 3.37Å; G136-L357 PolarHBondContact N-O 3.16Å; E355-L357 HydrophobicContact CB-CD2 4.44Å; E355-L357 HydrophobicContact CB-CG 4.29Å; E355-L357 PolarHBondContact O-N 2.94Å; L357-L359 VanDerWaalsContact C-N 3.3Å; L357-L359 PolarHBondContact O-N 2.76Å; L357-F360 CarbonylContact C-O 3.55Å; L357-F360 WeakPolarHBondContact CA-O 3.49Å; L357-F360 VanDerWaalsContact CB-O 3.31Å; L357-F360 WeakPolarHBondContact CB-O 3.33Å; L357-F360 HydrophobicContact CD1-CD2 4.32Å; L357-F360 HydrophobicContact CD1-CE1 3.9Å; L357-F360 HydrophobicContact CD1-CE2 3.64Å; L357-F360 HydrophobicContact CD1-CZ 3.38Å; L357-F360 PolarHBondContact N-O 2.9Å; L357-F360 VanDerWaalsContact O-O 3.13Å; L357-K362 HydrophobicContact CD1-CB 4.39Å
358	D	97.8	Very high	97.9	Very high	77 Å²	77	50 Å²	50	41%	0.412	26%	0.264	S	S	.	.	S	Bend	trans	-57.2	-42.3	-175.7	-68.9	-50.1	0	0	0	113.4	K127 G137	K127-D358 HydrophobicContact CD-CB 3.97Å; K127-D358 WeakPolarHBondContact CD-OD2 3.41Å; K127-D358 VanDerWaalsContact CE-CG 3.42Å; K127-D358 WeakPolarHBondContact CE-OD1 3.29Å; K127-D358 WeakPolarHBondContact CE-OD2 3.49Å; K127-D358 HydrophobicContact CG-CB 4.46Å; K127-D358 IonicContact NZ-OD1 3.43Å; K127-D358 PolarHBondContact NZ-OD1 3.31Å; K127-D358 IonicContact NZ-OD2 2.82Å; K127-D358 PolarHBondContact NZ-OD2 2.85Å; G137-D358 PolarHBondContact N-O 3.32Å
359	L	98.7	Very high	97.5	Very high	5 Å²	5	52 Å²	52	3%	0.026	27%	0.265	C	S	.	.	S	Bend	trans	-104.3	-12.3	-170.2	-65.1	172.1	0	0	0	114.1	L123 I126 K127 I133 G137 L167 H171 L357	L123-L359 HydrophobicContact CB-CD1 4.3Å; L123-L359 HydrophobicContact CD2-CD1 4.09Å; I126-L359 HydrophobicContact CB-CD1 3.68Å; I126-L359 HydrophobicContact CG2-CD1 3.58Å; I126-L359 HydrophobicContact CG2-CD2 3.94Å; I126-L359 HydrophobicContact CG2-CG 4.39Å; K127-L359 HydrophobicContact CB-CD2 4.44Å; I133-L359 HydrophobicContact CD1-CD2 3.9Å; I133-L359 HydrophobicContact CG2-CD2 4.39Å; G137-L359 WeakPolarHBondContact CA-O 3.22Å; L167-L359 HydrophobicContact CD1-CB 4.29Å; L167-L359 HydrophobicContact CD2-CB 4.48Å; H171-L359 PolarHBondContact CE1-O 2.83Å; H171-L359 PolarHBondContact NE2-O 3.36Å; L357-L359 VanDerWaalsContact C-N 3.3Å; L357-L359 PolarHBondContact O-N 2.76Å
360	F	98.8	Very high	96.9	Very high	12 Å²	12	55.3 Å²	55.3	5%	0.053	29%	0.293	C	S	.	.			trans	-165.1	163.3	-179.5	61.2	-79.1	0	0	0	110.8	G136 L163 L167 V183 V185 L357 K362	G136-F360 VanDerWaalsContact C-C 3.47Å; G136-F360 CarbonylContact O-C 3.56Å; G136-F360 WeakPolarHBondContact O-CA 3.35Å; L163-F360 HydrophobicContact CD2-CD2 4.48Å; L163-F360 HydrophobicContact CD2-CE1 4.1Å; L163-F360 HydrophobicContact CD2-CE2 3.85Å; L163-F360 HydrophobicContact CD2-CZ 3.64Å; L167-F360 HydrophobicContact CD1-CD1 3.59Å; L167-F360 HydrophobicContact CD1-CE1 3.77Å; L167-F360 HydrophobicContact CD2-CB 4.29Å; L167-F360 HydrophobicContact CD2-CD1 4.19Å; V183-F360 HydrophobicContact CB-CB 4.01Å; V183-F360 HydrophobicContact CG1-CB 3.82Å; V185-F360 HydrophobicContact CB-CD2 3.79Å; V185-F360 HydrophobicContact CB-CE2 4.09Å; V185-F360 HydrophobicContact CG2-CB 4.23Å; V185-F360 HydrophobicContact CG2-CD2 3.38Å; V185-F360 HydrophobicContact CG2-CE2 3.89Å; V185-F360 HydrophobicContact CG2-CG 3.99Å; L357-F360 CarbonylContact C-O 3.55Å; L357-F360 WeakPolarHBondContact CA-O 3.49Å; L357-F360 VanDerWaalsContact CB-O 3.31Å; L357-F360 WeakPolarHBondContact CB-O 3.33Å; L357-F360 HydrophobicContact CD1-CD2 4.32Å; L357-F360 HydrophobicContact CD1-CE1 3.9Å; L357-F360 HydrophobicContact CD1-CE2 3.64Å; L357-F360 HydrophobicContact CD1-CZ 3.38Å; L357-F360 PolarHBondContact N-O 2.9Å; L357-F360 VanDerWaalsContact O-O 3.13Å; F360-K362 HydrophobicContact CD2-CB 4.17Å; F360-K362 HydrophobicContact CE2-CB 3.8Å; F360-K362 HydrophobicContact CE2-CD 4.35Å; F360-K362 HydrophobicContact CE2-CG 4.27Å
361	T	98.9	Very high	96.8	Very high	4 Å²	4	54.6 Å²	54.6	3%	0.025	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	122.8	166.3	-61.1	0	0	0	0	109.2	G136 V183 Y184 V185 V354 E355 K356 I363	G136-T361 VanDerWaalsContact CA-OG1 3.26Å; G136-T361 WeakPolarHBondContact CA-OG1 3.47Å; G136-T361 PolarHBondContact O-N 2.92Å; G136-T361 PolarHBondContact O-OG1 2.91Å; V183-T361 PolarHBondContact O-N 2.87Å; Y184-T361 WeakPolarHBondContact CA-O 3.49Å; Y184-T361 HydrophobicContact CD1-CG2 4.39Å; V185-T361 PolarHBondContact N-O 3Å; V354-T361 HydrophobicContact CG1-CG2 3.94Å; E355-T361 CarbonylContact O-C 3.58Å; E355-T361 WeakPolarHBondContact O-CA 3.27Å; K356-T361 HydrophobicContact CG-CG2 4.4Å; T361-I363 HydrophobicContact CG2-CD1 4.42Å; T361-I363 HydrophobicContact CG2-CG1 3.97Å
362	K	98.8	Very high	96.8	Very high	35 Å²	35	53 Å²	53	15%	0.152	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	123.5	174	-164.8	174.8	-178.4	170	0	109	V185 N187 E355 L357 F360	V185-K362 WeakPolarHBondContact O-CA 3.42Å; N187-K362 HydrophobicContact CB-CG 4.23Å; E355-K362 HydrophobicContact CB-CB 4.29Å; E355-K362 PolarHBondContact N-O 3.38Å; E355-K362 PolarHBondContact O-N 2.72Å; L357-K362 HydrophobicContact CD1-CB 4.39Å; F360-K362 HydrophobicContact CD2-CB 4.17Å; F360-K362 HydrophobicContact CE2-CB 3.8Å; F360-K362 HydrophobicContact CE2-CD 4.35Å; F360-K362 HydrophobicContact CE2-CG 4.27Å
363	I	98.8	Very high	96.7	Very high	3 Å²	3	52.1 Å²	52.1	2%	0.015	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	110.1	177.8	-54.5	-173	0	0	0	107.3	Y184 V185 I186 N187 E207 L351 R353 V354 T361 V365	Y184-I363 HydrophobicContact CD1-CD1 4.11Å; V185-I363 PolarHBondContact O-N 3.37Å; I186-I363 CarbonylContact C-O 3.57Å; I186-I363 HydrophobicContact CD1-CB 4.06Å; I186-I363 HydrophobicContact CD1-CD1 4.1Å; I186-I363 HydrophobicContact CD1-CG1 4.31Å; N187-I363 PolarHBondContact N-O 3.26Å; E207-I363 HydrophobicContact CB-CD1 3.49Å; E207-I363 VanDerWaalsContact CB-CD1 3.49Å; E207-I363 HydrophobicContact CG-CD1 4.09Å; E207-I363 HydrophobicContact CG-CG2 4.25Å; L351-I363 HydrophobicContact CD1-CG2 3.51Å; R353-I363 CarbonylContact O-C 3.6Å; V354-I363 HydrophobicContact CG1-CG1 4.5Å; V354-I363 HydrophobicContact CG2-CG2 4.39Å; T361-I363 HydrophobicContact CG2-CD1 4.42Å; T361-I363 HydrophobicContact CG2-CG1 3.97Å; I363-V365 HydrophobicContact CG2-CG1 3.95Å
364	T	98.7	Very high	96.6	Very high	7 Å²	7	47.8 Å²	47.8	4%	0.043	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	127.5	176.1	-58.4	0	0	0	0	110	N187 Q189 V352 R353	N187-T364 WeakPolarHBondContact ND2-CG2 3.3Å; N187-T364 PolarHBondContact ND2-OG1 3.42Å; N187-T364 VanDerWaalsContact ND2-OG1 3.09Å; N187-T364 VanDerWaalsContact O-CA 3.28Å; N187-T364 WeakPolarHBondContact O-CA 3.43Å; Q189-T364 HydrophobicContact CB-CG2 4.22Å; V352-T364 WeakPolarHBondContact CA-O 3.49Å; V352-T364 HydrophobicContact CB-CG2 4.13Å; V352-T364 WeakPolarHBondContact CB-O 3.48Å; V352-T364 HydrophobicContact CG1-CG2 4.38Å; V352-T364 PolarHBondContact N-O 2.99Å; R353-T364 PolarHBondContact N-O 2.91Å; R353-T364 VanDerWaalsContact N-O 3.14Å; R353-T364 PolarHBondContact O-N 3.45Å
365	V	98.4	Very high	96.5	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	148.2	-177.2	-64.2	0	0	0	0	112.2	I186 N187 Q189 L200 V203 Y349 S350 L351 I363 V367	I186-V365 HydrophobicContact CG2-CG2 4.12Å; N187-V365 PolarHBondContact O-N 3.44Å; Q189-V365 WeakPolarHBondContact CB-O 3.13Å; Q189-V365 PolarHBondContact N-O 3.29Å; L200-V365 HydrophobicContact CD2-CG2 3.71Å; V203-V365 HydrophobicContact CG1-CB 4.47Å; V203-V365 HydrophobicContact CG1-CG1 3.74Å; V203-V365 HydrophobicContact CG1-CG2 4.18Å; Y349-V365 HydrophobicContact CD2-CB 4.24Å; Y349-V365 HydrophobicContact CD2-CG1 3.85Å; Y349-V365 HydrophobicContact CE2-CG1 4.28Å; S350-V365 WeakPolarHBondContact O-CA 3.48Å; L351-V365 HydrophobicContact CD1-CG1 4.11Å; I363-V365 HydrophobicContact CG2-CG1 3.95Å; V365-V367 HydrophobicContact CG2-CG1 3.85Å
366	D	97.4	Very high	96.4	Very high	64 Å²	64	46.4 Å²	46.4	34%	0.342	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	118.9	162	-177.4	0.2	0	0	0	108.3	Y349 S350 V352 G368	Y349-D366 CarbonylContact C-O 3.5Å; Y349-D366 WeakPolarHBondContact CA-O 2.84Å; Y349-D366 WeakPolarHBondContact CB-O 3.38Å; S350-D366 PolarHBondContact N-O 2.66Å; S350-D366 PolarHBondContact O-N 2.83Å; V352-D366 HydrophobicContact CG2-CB 4.28Å; D366-G368 PolarHBondContact OD1-N 3.06Å
367	V	95.8	Very high	96.3	Very high	2 Å²	2	41 Å²	41	1%	0.012	23%	0.226	C	C	.	.			trans	-100.6	8.3	-179.4	-67.9	0	0	0	0	112.6	Q188 K199 L200 V203 W281 V365	Q188-V367 HydrophobicContact CG-CG2 3.93Å; K199-V367 HydrophobicContact CD-CB 3.98Å; K199-V367 HydrophobicContact CD-CG1 4.45Å; K199-V367 HydrophobicContact CG-CB 4.36Å; K199-V367 HydrophobicContact CG-CG1 4.3Å; K199-V367 PolarHBondContact NZ-O 2.59Å; L200-V367 HydrophobicContact CD2-CG1 3.92Å; V203-V367 HydrophobicContact CG2-CG1 4.41Å; W281-V367 HydrophobicContact CH2-CG2 3.99Å; W281-V367 WeakPolarHBondContact CH2-O 2.98Å; W281-V367 HydrophobicContact CZ3-CG2 4.19Å; V365-V367 HydrophobicContact CG2-CG1 3.85Å
368	G	93.3	Very high	96.2	Very high	28 Å²	28	38.9 Å²	38.9	29%	0.289	22%	0.216	S	C	.	.			trans	74.5	-154.8	-176.9	0	0	0	0	0	112.9	W281 D366	W281-G368 VanDerWaalsContact CH2-O 3.27Å; W281-G368 WeakPolarHBondContact CH2-O 3.25Å; D366-G368 PolarHBondContact OD1-N 3.06Å
369	K	89.8	Confident	96	Very high	141 Å²	141	35.8 Å²	35.8	61%	0.613	20%	0.2	S	C	*	.			trans	-126.4	163.3	-175.6	-47.3	-166.3	-178.2	-150.8	0	110.4	E193 W281	E193-K369 VanDerWaalsContact CD-CD 3.44Å; E193-K369 VanDerWaalsContact CD-CE 3.46Å; E193-K369 HydrophobicContact CG-CG 4.16Å; E193-K369 WeakPolarHBondContact OE1-CD 3.4Å; E193-K369 WeakPolarHBondContact OE1-CE 3.36Å; E193-K369 IonicContact OE1-NZ 2.59Å; E193-K369 PolarHBondContact OE1-NZ 3.17Å; E193-K369 VanDerWaalsContact OE2-CD 3.25Å; E193-K369 WeakPolarHBondContact OE2-CD 3.38Å; E193-K369 VanDerWaalsContact OE2-CG 3.22Å; E193-K369 WeakPolarHBondContact OE2-CG 3.22Å; W281-K369 WeakPolarHBondContact CZ2-O 3.38Å
370	P	85	Confident	95.8	Very high	128 Å²	128	38.5 Å²	38.5	83%	0.831	22%	0.216	S	C	*	.			trans	-51.9	0	176.6	-24.5	32.4	0	0	0	115.8	W281	W281-P370 HydrophobicContact CB-CB 4.27Å; W281-P370 HydrophobicContact CB-CG 3.87Å; W281-P370 HydrophobicContact CD2-CB 4.18Å; W281-P370 HydrophobicContact CD2-CG 3.7Å; W281-P370 HydrophobicContact CE3-CG 4.04Å; W281-P370 HydrophobicContact CG-CB 3.83Å; W281-P370 HydrophobicContact CG-CG 3.61Å

Retrieved 370 of 370 residues in 174.8 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).