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Isoform C2 of Prelamin-A/C AlphaSync

Isoform C2 may have a role in determining the organization of nuclear and chromosomal structures during spermatogenesis.

AlphaFold DB , UniProt , Accession P48678-3 (canonical: P48678), Species MOUSE (Mus musculus, Mouse), Gene Lmna, Length 462 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters 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	M	44.4	Very low	61.4	Low	231 Å²	231	123.3 Å²	123.3	100%	1.138	66%	0.66	S	S	*	*				0	-42	0	-75.9	176.1	172.1	0	0	113.2	N3	M1-N3 PolarHBondContact O-N 3.14Å
2	G	49.5	Very low	62.5	Low	57 Å²	57	120.8 Å²	120.8	59%	0.588	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.6	18.8	-171.2	0	0	0	0	0	120.5	E5	G2-E5 WeakPolarHBondContact CA-OE2 3.11Å
3	N	54.1	Low	63.7	Low	156 Å²	156	114.5 Å²	114.5	83%	0.834	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.3	1.4	175.5	-138.8	1.2	0	0	0	113.1	M1	M1-N3 PolarHBondContact O-N 3.14Å
4	A	56.9	Low	64.8	Low	67 Å²	67	112.4 Å²	112.4	55%	0.554	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.4	-42.2	174	0	0	0	0	0	112.2	G6 R7 N8	A4-G6 PolarHBondContact O-N 2.83Å; A4-R7 WeakPolarHBondContact O-CA 3.46Å; A4-R7 VanDerWaalsContact O-CB 3.26Å; A4-R7 WeakPolarHBondContact O-CB 3.22Å; A4-R7 PolarHBondContact O-N 3.22Å; A4-N8 PolarHBondContact O-N 2.7Å; A4-N8 VanDerWaalsContact O-N 3.09Å
5	E	57.9	Low	65.8	Low	135 Å²	135	111.3 Å²	111.3	63%	0.631	60%	0.603	S	S	*	*	H	α-helix	trans	-62	-46.3	-174.9	-66.7	159.4	133.9	0	0	112	G2 R7 N8 T9	G2-E5 WeakPolarHBondContact CA-OE2 3.11Å; E5-R7 PolarHBondContact O-N 3.44Å; E5-R7 VanDerWaalsContact O-N 3.11Å; E5-N8 PolarHBondContact O-N 3.21Å; E5-T9 PolarHBondContact O-N 3.44Å; E5-T9 PolarHBondContact O-OG1 2.79Å
6	G	62.7	Low	66.9	Low	51 Å²	51	111.5 Å²	111.5	53%	0.526	60%	0.603	S	S	.	*	H	α-helix	trans	-63.2	-15	173.9	0	0	0	0	0	114.8	A4	A4-G6 PolarHBondContact O-N 2.83Å
7	R	61.9	Low	67.8	Low	204 Å²	204	108.5 Å²	108.5	77%	0.77	60%	0.597	S	S	*	*	H	α-helix	trans	-87.4	-32	172	-136.5	176	-166.2	168.1	4.1	111.4	A4 E5 K11	A4-R7 WeakPolarHBondContact O-CA 3.46Å; A4-R7 VanDerWaalsContact O-CB 3.26Å; A4-R7 WeakPolarHBondContact O-CB 3.22Å; A4-R7 PolarHBondContact O-N 3.22Å; E5-R7 PolarHBondContact O-N 3.44Å; E5-R7 VanDerWaalsContact O-N 3.11Å; R7-K11 WeakPolarHBondContact O-CG 3.2Å; R7-K11 PolarHBondContact O-N 2.84Å
8	N	68.3	Low	68.6	Low	84 Å²	84	105.3 Å²	105.3	45%	0.449	59%	0.587	S	S	.	*	H	α-helix	trans	-76.4	-45.2	175.4	-166.1	54	0	0	0	112.1	A4 E5 K10 K11 E12	A4-N8 PolarHBondContact O-N 2.7Å; A4-N8 VanDerWaalsContact O-N 3.09Å; E5-N8 PolarHBondContact O-N 3.21Å; N8-K10 VanDerWaalsContact C-N 3.26Å; N8-K10 PolarHBondContact O-N 2.64Å; N8-K11 CarbonylContact O-C 3.5Å; N8-K11 WeakPolarHBondContact O-CA 3.16Å; N8-K11 WeakPolarHBondContact O-CB 3.44Å; N8-K11 PolarHBondContact O-N 3.19Å; N8-E12 VanDerWaalsContact ND2-CD 3.34Å; N8-E12 PolarHBondContact ND2-OE1 2.8Å; N8-E12 WeakPolarHBondContact O-CG 3.49Å; N8-E12 PolarHBondContact O-N 3.38Å
9	T	70.7	Confident	69.4	Low	88 Å²	88	104.9 Å²	104.9	54%	0.54	58%	0.581	S	S	.	*	H	α-helix	trans	-61.4	-34.9	176.6	55.9	0	0	0	0	112.3	E5 E12 G13	E5-T9 PolarHBondContact O-N 3.44Å; E5-T9 PolarHBondContact O-OG1 2.79Å; T9-E12 PolarHBondContact O-N 3.41Å; T9-G13 PolarHBondContact O-N 3.47Å
10	K	74.2	Confident	70.2	Confident	140 Å²	140	102.3 Å²	102.3	61%	0.609	57%	0.573	S	S	*	*	H	α-helix	trans	-65.1	-42.4	169.5	-175.8	167.9	-178.3	173.6	0	112	N8 E12 G13 D14	N8-K10 VanDerWaalsContact C-N 3.26Å; N8-K10 PolarHBondContact O-N 2.64Å; K10-E12 VanDerWaalsContact C-N 3.33Å; K10-E12 PolarHBondContact O-N 3.44Å; K10-G13 PolarHBondContact O-N 2.78Å; K10-D14 WeakPolarHBondContact O-CB 3.32Å; K10-D14 PolarHBondContact O-N 2.64Å
11	K	75	Confident	70.9	Confident	143 Å²	143	106 Å²	106	62%	0.622	58%	0.578	S	S	*	*	H	α-helix	trans	-63.5	-35.9	175.4	-81.7	-72.8	-173.2	178.7	0	113.1	R7 N8 L15	R7-K11 WeakPolarHBondContact O-CG 3.2Å; R7-K11 PolarHBondContact O-N 2.84Å; N8-K11 CarbonylContact O-C 3.5Å; N8-K11 WeakPolarHBondContact O-CA 3.16Å; N8-K11 WeakPolarHBondContact O-CB 3.44Å; N8-K11 PolarHBondContact O-N 3.19Å; K11-L15 WeakPolarHBondContact O-CB 3.03Å; K11-L15 PolarHBondContact O-N 3.15Å
12	E	74.7	Confident	72.9	Confident	94 Å²	94	99.4 Å²	99.4	44%	0.439	55%	0.547	S	S	.	.	H	α-helix	trans	-71.4	-38.8	175.3	-71.4	166.6	170.7	0	0	111.5	N8 T9 K10 L15 L16	N8-E12 VanDerWaalsContact ND2-CD 3.34Å; N8-E12 PolarHBondContact ND2-OE1 2.8Å; N8-E12 WeakPolarHBondContact O-CG 3.49Å; N8-E12 PolarHBondContact O-N 3.38Å; T9-E12 PolarHBondContact O-N 3.41Å; K10-E12 VanDerWaalsContact C-N 3.33Å; K10-E12 PolarHBondContact O-N 3.44Å; E12-L15 PolarHBondContact O-N 2.73Å; E12-L16 WeakPolarHBondContact O-CB 3.01Å; E12-L16 WeakPolarHBondContact O-CG 3.37Å; E12-L16 PolarHBondContact O-N 2.99Å
13	G	78.2	Confident	74.7	Confident	38 Å²	38	103.6 Å²	103.6	39%	0.392	55%	0.549	S	S	.	.	H	α-helix	trans	-63.7	-46.3	170	0	0	0	0	0	112.8	T9 K10 L15 L16 A17	T9-G13 PolarHBondContact O-N 3.47Å; K10-G13 PolarHBondContact O-N 2.78Å; G13-L15 VanDerWaalsContact C-N 3.28Å; G13-L15 PolarHBondContact O-N 2.77Å; G13-L16 PolarHBondContact O-N 2.77Å; G13-A17 WeakPolarHBondContact O-CB 3.23Å; G13-A17 PolarHBondContact O-N 2.84Å
14	D	79.3	Confident	76.3	Confident	85 Å²	85	101.4 Å²	101.4	46%	0.455	54%	0.537	S	S	.	.	H	α-helix	trans	-61	-37	173.9	-69.2	-23.2	0	0	0	110.8	K10 A18	K10-D14 WeakPolarHBondContact O-CB 3.32Å; K10-D14 PolarHBondContact O-N 2.64Å; D14-A18 VanDerWaalsContact O-CB 3.25Å; D14-A18 WeakPolarHBondContact O-CB 3.1Å; D14-A18 PolarHBondContact O-N 3.06Å
15	L	79.5	Confident	77.8	Confident	96 Å²	96	103 Å²	103	50%	0.503	54%	0.536	S	S	.	.	H	α-helix	trans	-70.4	-44.1	176.5	-179.6	65.9	0	0	0	112.3	K11 E12 G13 A18 Q19	K11-L15 WeakPolarHBondContact O-CB 3.03Å; K11-L15 PolarHBondContact O-N 3.15Å; E12-L15 PolarHBondContact O-N 2.73Å; G13-L15 VanDerWaalsContact C-N 3.28Å; G13-L15 PolarHBondContact O-N 2.77Å; L15-A18 CarbonylContact O-C 3.58Å; L15-A18 PolarHBondContact O-N 3.15Å; L15-Q19 HydrophobicContact CD1-CG 4.44Å; L15-Q19 WeakPolarHBondContact O-CB 3.43Å; L15-Q19 WeakPolarHBondContact O-CG 3.04Å; L15-Q19 PolarHBondContact O-N 2.75Å
16	L	82.6	Confident	79.2	Confident	115 Å²	115	101.4 Å²	101.4	60%	0.602	53%	0.528	S	S	*	.	H	α-helix	trans	-64.1	-41.2	175.2	-81.2	166.6	0	0	0	111.3	E12 G13 A18 Q19 A20	E12-L16 WeakPolarHBondContact O-CB 3.01Å; E12-L16 WeakPolarHBondContact O-CG 3.37Å; E12-L16 PolarHBondContact O-N 2.99Å; G13-L16 PolarHBondContact O-N 2.77Å; L16-A18 VanDerWaalsContact C-N 3.34Å; L16-Q19 PolarHBondContact O-N 3.42Å; L16-A20 WeakPolarHBondContact O-CB 3.44Å; L16-A20 PolarHBondContact O-N 2.74Å
17	A	83.1	Confident	80.4	Confident	60 Å²	60	101.9 Å²	101.9	50%	0.496	53%	0.527	S	S	.	.	H	α-helix	trans	-62.9	-40.6	172.3	0	0	0	0	0	111.7	G13 R21	G13-A17 WeakPolarHBondContact O-CB 3.23Å; G13-A17 PolarHBondContact O-N 2.84Å; A17-R21 WeakPolarHBondContact O-CB 3.13Å; A17-R21 PolarHBondContact O-N 2.62Å
18	A	81.9	Confident	81.8	Confident	51 Å²	51	96.4 Å²	96.4	42%	0.421	51%	0.513	S	S	.	.	H	α-helix	trans	-66.6	-38.8	174.7	0	0	0	0	0	112.7	D14 L15 L16 R21 L22	D14-A18 VanDerWaalsContact O-CB 3.25Å; D14-A18 WeakPolarHBondContact O-CB 3.1Å; D14-A18 PolarHBondContact O-N 3.06Å; L15-A18 CarbonylContact O-C 3.58Å; L15-A18 PolarHBondContact O-N 3.15Å; L16-A18 VanDerWaalsContact C-N 3.34Å; A18-R21 CarbonylContact O-C 3.49Å; A18-R21 PolarHBondContact O-N 3.24Å; A18-L22 WeakPolarHBondContact O-CB 3.44Å; A18-L22 PolarHBondContact O-N 3.33Å
19	Q	84.1	Confident	82.9	Confident	99 Å²	99	96.9 Å²	96.9	46%	0.463	52%	0.515	S	S	.	.	H	α-helix	trans	-70.1	-40.5	177	-76.4	178.7	-1.5	0	0	112.6	L15 L16 L22 K23	L15-Q19 HydrophobicContact CD1-CG 4.44Å; L15-Q19 WeakPolarHBondContact O-CB 3.43Å; L15-Q19 WeakPolarHBondContact O-CG 3.04Å; L15-Q19 PolarHBondContact O-N 2.75Å; L16-Q19 PolarHBondContact O-N 3.42Å; Q19-L22 PolarHBondContact O-N 2.86Å; Q19-K23 PolarHBondContact O-N 2.78Å
20	A	84.8	Confident	83.8	Confident	51 Å²	51	97.5 Å²	97.5	42%	0.421	52%	0.515	S	S	.	.	H	α-helix	trans	-59.9	-49.4	171	0	0	0	0	0	110.1	L16 L22 K23 D24	L16-A20 WeakPolarHBondContact O-CB 3.44Å; L16-A20 PolarHBondContact O-N 2.74Å; A20-L22 VanDerWaalsContact C-N 3.27Å; A20-L22 PolarHBondContact O-N 3.46Å; A20-K23 WeakPolarHBondContact O-CB 3.5Å; A20-K23 PolarHBondContact O-N 3.24Å; A20-K23 VanDerWaalsContact O-N 3.11Å; A20-D24 VanDerWaalsContact O-CG 3.32Å; A20-D24 PolarHBondContact O-N 2.82Å
21	R	86.2	Confident	84.6	Confident	180 Å²	180	94.2 Å²	94.2	68%	0.679	51%	0.51	S	S	*	.	H	α-helix	trans	-64.3	-28.4	177.3	-160.5	175.9	-161.3	167.6	5.4	113.4	A17 A18 L25	A17-R21 WeakPolarHBondContact O-CB 3.13Å; A17-R21 PolarHBondContact O-N 2.62Å; A18-R21 CarbonylContact O-C 3.49Å; A18-R21 PolarHBondContact O-N 3.24Å; R21-L25 VanDerWaalsContact O-CB 3.31Å; R21-L25 WeakPolarHBondContact O-CB 3.18Å; R21-L25 WeakPolarHBondContact O-CD1 3.1Å; R21-L25 WeakPolarHBondContact O-CG 3.39Å; R21-L25 PolarHBondContact O-N 3.15Å
22	L	85.3	Confident	85.4	Confident	94 Å²	94	94 Å²	94	49%	0.492	51%	0.509	S	S	.	.	H	α-helix	trans	-68.3	-46.8	171.6	-120.8	169.6	0	0	0	110.6	A18 Q19 A20 D24 L25 E26	A18-L22 WeakPolarHBondContact O-CB 3.44Å; A18-L22 PolarHBondContact O-N 3.33Å; Q19-L22 PolarHBondContact O-N 2.86Å; A20-L22 VanDerWaalsContact C-N 3.27Å; A20-L22 PolarHBondContact O-N 3.46Å; L22-D24 VanDerWaalsContact C-N 3.33Å; L22-D24 PolarHBondContact O-N 3.49Å; L22-L25 CarbonylContact O-C 3.6Å; L22-L25 PolarHBondContact O-N 2.75Å; L22-L25 VanDerWaalsContact O-N 3.13Å; L22-E26 HydrophobicContact CD2-CG 4.29Å; L22-E26 WeakPolarHBondContact O-CB 3.5Å; L22-E26 VanDerWaalsContact O-CG 3.31Å; L22-E26 WeakPolarHBondContact O-CG 3.44Å; L22-E26 PolarHBondContact O-N 3.27Å
23	K	87.4	Confident	86.3	Confident	145 Å²	145	94.6 Å²	94.6	63%	0.63	51%	0.511	S	S	*	.	H	α-helix	trans	-62.5	-38.7	174.5	-71.2	178.8	177.9	-178.7	0	112.5	Q19 A20 L25 E26 A27	Q19-K23 PolarHBondContact O-N 2.78Å; A20-K23 WeakPolarHBondContact O-CB 3.5Å; A20-K23 PolarHBondContact O-N 3.24Å; A20-K23 VanDerWaalsContact O-N 3.11Å; K23-L25 VanDerWaalsContact C-N 3.33Å; K23-E26 PolarHBondContact O-N 3.5Å; K23-A27 VanDerWaalsContact O-CB 3.25Å; K23-A27 WeakPolarHBondContact O-CB 3.21Å; K23-A27 PolarHBondContact O-N 2.8Å
24	D	88	Confident	86.9	Confident	110 Å²	110	95.4 Å²	95.4	59%	0.588	51%	0.514	S	S	*	.	H	α-helix	trans	-63.6	-40	173.2	-65.8	-29.7	0	0	0	111.2	A20 L22 L28	A20-D24 VanDerWaalsContact O-CG 3.32Å; A20-D24 PolarHBondContact O-N 2.82Å; L22-D24 VanDerWaalsContact C-N 3.33Å; L22-D24 PolarHBondContact O-N 3.49Å; D24-L28 WeakPolarHBondContact O-CB 3.25Å; D24-L28 PolarHBondContact O-N 3.34Å
25	L	87.2	Confident	87.6	Confident	101 Å²	101	93.9 Å²	93.9	53%	0.529	51%	0.514	S	S	.	.	H	α-helix	trans	-72.1	-35	176.1	-76	169.2	0	0	0	112.9	R21 L22 K23 L28 L29	R21-L25 VanDerWaalsContact O-CB 3.31Å; R21-L25 WeakPolarHBondContact O-CB 3.18Å; R21-L25 WeakPolarHBondContact O-CD1 3.1Å; R21-L25 WeakPolarHBondContact O-CG 3.39Å; R21-L25 PolarHBondContact O-N 3.15Å; L22-L25 CarbonylContact O-C 3.6Å; L22-L25 PolarHBondContact O-N 2.75Å; L22-L25 VanDerWaalsContact O-N 3.13Å; K23-L25 VanDerWaalsContact C-N 3.33Å; L25-L28 PolarHBondContact O-N 3.35Å; L25-L29 WeakPolarHBondContact O-CB 3.34Å; L25-L29 PolarHBondContact O-N 2.83Å
26	E	88.3	Confident	88.2	Confident	100 Å²	100	94.5 Å²	94.5	47%	0.467	52%	0.517	S	S	.	.	H	α-helix	trans	-67.8	-43.9	172.8	-73.8	167.8	173.6	0	0	110.8	L22 K23 L29 N30	L22-E26 HydrophobicContact CD2-CG 4.29Å; L22-E26 WeakPolarHBondContact O-CB 3.5Å; L22-E26 VanDerWaalsContact O-CG 3.31Å; L22-E26 WeakPolarHBondContact O-CG 3.44Å; L22-E26 PolarHBondContact O-N 3.27Å; K23-E26 PolarHBondContact O-N 3.5Å; E26-L29 PolarHBondContact O-N 2.87Å; E26-N30 WeakPolarHBondContact O-CB 3.01Å; E26-N30 PolarHBondContact O-N 3.12Å; E26-N30 PolarHBondContact O-ND2 3.48Å; E26-N30 VanDerWaalsContact O-ND2 3.13Å
27	A	88.8	Confident	88.7	Confident	61 Å²	61	92.7 Å²	92.7	50%	0.504	51%	0.514	S	S	.	.	H	α-helix	trans	-64	-40.5	173.6	0	0	0	0	0	111.7	K23 S31	K23-A27 VanDerWaalsContact O-CB 3.25Å; K23-A27 WeakPolarHBondContact O-CB 3.21Å; K23-A27 PolarHBondContact O-N 2.8Å; A27-S31 WeakPolarHBondContact O-CB 3.36Å; A27-S31 PolarHBondContact O-N 2.81Å
28	L	91.4	Very high	89.2	Confident	90 Å²	90	93.1 Å²	93.1	47%	0.471	51%	0.511	S	S	.	.	H	α-helix	trans	-67.7	-39.2	174.5	-173.4	66.3	0	0	0	111.7	D24 L25 S31 K32	D24-L28 WeakPolarHBondContact O-CB 3.25Å; D24-L28 PolarHBondContact O-N 3.34Å; L25-L28 PolarHBondContact O-N 3.35Å; L28-S31 PolarHBondContact O-N 3.32Å; L28-K32 WeakPolarHBondContact O-CB 3.5Å; L28-K32 WeakPolarHBondContact O-CG 3.45Å; L28-K32 PolarHBondContact O-N 2.91Å
29	L	89.8	Confident	89.7	Confident	94 Å²	94	93.1 Å²	93.1	49%	0.492	51%	0.51	S	S	.	.	H	α-helix	trans	-62.9	-53.3	175.3	-177.7	69.2	0	0	0	110.1	L25 E26 S31 K32 E33	L25-L29 WeakPolarHBondContact O-CB 3.34Å; L25-L29 PolarHBondContact O-N 2.83Å; E26-L29 PolarHBondContact O-N 2.87Å; L29-S31 VanDerWaalsContact C-N 3.26Å; L29-S31 PolarHBondContact O-N 2.86Å; L29-K32 CarbonylContact O-C 3.52Å; L29-K32 WeakPolarHBondContact O-CA 3.43Å; L29-K32 PolarHBondContact O-N 3.42Å; L29-E33 HydrophobicContact CD1-CG 4.44Å; L29-E33 HydrophobicContact CG-CG 4.44Å; L29-E33 WeakPolarHBondContact O-CG 3.37Å; L29-E33 PolarHBondContact O-N 2.85Å
30	N	90.5	Very high	90.2	Very high	100 Å²	100	91.7 Å²	91.7	54%	0.535	51%	0.506	S	S	.	.	H	α-helix	trans	-57.3	-39	176	-69.6	-30.7	0	0	0	111.8	E26 A34	E26-N30 WeakPolarHBondContact O-CB 3.01Å; E26-N30 PolarHBondContact O-N 3.12Å; E26-N30 PolarHBondContact O-ND2 3.48Å; E26-N30 VanDerWaalsContact O-ND2 3.13Å; N30-A34 VanDerWaalsContact O-CB 3.25Å; N30-A34 WeakPolarHBondContact O-CB 3.33Å; N30-A34 PolarHBondContact O-N 2.75Å
31	S	91.4	Very high	90.6	Very high	72 Å²	72	92 Å²	92	50%	0.503	51%	0.505	S	S	.	.	H	α-helix	trans	-65.2	-39.3	173.7	179.1	0	0	0	0	112.5	A27 L28 L29 A35	A27-S31 WeakPolarHBondContact O-CB 3.36Å; A27-S31 PolarHBondContact O-N 2.81Å; L28-S31 PolarHBondContact O-N 3.32Å; L29-S31 VanDerWaalsContact C-N 3.26Å; L29-S31 PolarHBondContact O-N 2.86Å; S31-A35 VanDerWaalsContact O-CB 3.3Å; S31-A35 WeakPolarHBondContact O-CB 3.26Å; S31-A35 PolarHBondContact O-N 2.86Å
32	K	91.7	Very high	91	Very high	137 Å²	137	88.5 Å²	88.5	60%	0.596	50%	0.496	S	S	*	.	H	α-helix	trans	-73.6	-35.8	176.5	-70.9	-66	178.5	-171.3	0	112.7	L28 L29 A35 L36	L28-K32 WeakPolarHBondContact O-CB 3.5Å; L28-K32 WeakPolarHBondContact O-CG 3.45Å; L28-K32 PolarHBondContact O-N 2.91Å; L29-K32 CarbonylContact O-C 3.52Å; L29-K32 WeakPolarHBondContact O-CA 3.43Å; L29-K32 PolarHBondContact O-N 3.42Å; K32-A35 PolarHBondContact O-N 2.98Å; K32-L36 WeakPolarHBondContact O-CB 3.34Å; K32-L36 PolarHBondContact O-N 3.05Å
33	E	92.2	Very high	91.5	Very high	107 Å²	107	89.1 Å²	89.1	50%	0.5	50%	0.495	S	S	.	.	H	α-helix	trans	-69.2	-41	173.6	-72	-174.3	175.6	0	0	111.4	L29 L36 S37	L29-E33 HydrophobicContact CD1-CG 4.44Å; L29-E33 HydrophobicContact CG-CG 4.44Å; L29-E33 WeakPolarHBondContact O-CG 3.37Å; L29-E33 PolarHBondContact O-N 2.85Å; E33-L36 PolarHBondContact O-N 3.31Å; E33-S37 VanDerWaalsContact O-CB 3.32Å; E33-S37 WeakPolarHBondContact O-CB 3.31Å; E33-S37 PolarHBondContact O-N 2.9Å
34	A	91.7	Very high	91.8	Very high	55 Å²	55	89.7 Å²	89.7	46%	0.455	49%	0.493	S	S	.	.	H	α-helix	trans	-60.5	-48.8	170.8	0	0	0	0	0	111.3	N30 L36 S37 T38	N30-A34 VanDerWaalsContact O-CB 3.25Å; N30-A34 WeakPolarHBondContact O-CB 3.33Å; N30-A34 PolarHBondContact O-N 2.75Å; A34-L36 VanDerWaalsContact C-N 3.35Å; A34-L36 PolarHBondContact O-N 3.49Å; A34-S37 PolarHBondContact O-N 3.44Å; A34-T38 PolarHBondContact O-N 3.01Å; A34-T38 PolarHBondContact O-OG1 3.46Å; A34-T38 VanDerWaalsContact O-OG1 3.12Å
35	A	93.6	Very high	92.2	Very high	54 Å²	54	88.3 Å²	88.3	45%	0.446	49%	0.489	S	S	.	.	H	α-helix	trans	-62.8	-38	176.7	0	0	0	0	0	112.9	S31 K32 A39	S31-A35 VanDerWaalsContact O-CB 3.3Å; S31-A35 WeakPolarHBondContact O-CB 3.26Å; S31-A35 PolarHBondContact O-N 2.86Å; K32-A35 PolarHBondContact O-N 2.98Å; A35-A39 VanDerWaalsContact O-CB 3.28Å; A35-A39 WeakPolarHBondContact O-CB 3.45Å; A35-A39 PolarHBondContact O-N 2.95Å
36	L	92.6	Very high	92.5	Very high	109 Å²	109	88 Å²	88	57%	0.571	49%	0.487	S	S	*	.	H	α-helix	trans	-64.7	-43.6	173.5	-172.5	89	0	0	0	110.9	K32 E33 A34 A39 L40	K32-L36 WeakPolarHBondContact O-CB 3.34Å; K32-L36 PolarHBondContact O-N 3.05Å; E33-L36 PolarHBondContact O-N 3.31Å; A34-L36 VanDerWaalsContact C-N 3.35Å; A34-L36 PolarHBondContact O-N 3.49Å; L36-A39 PolarHBondContact O-N 2.9Å; L36-L40 HydrophobicContact CD2-CD1 4.12Å; L36-L40 HydrophobicContact CG-CD1 3.96Å; L36-L40 HydrophobicContact CG-CG 4.42Å; L36-L40 VanDerWaalsContact O-CB 3.26Å; L36-L40 WeakPolarHBondContact O-CB 3.4Å; L36-L40 WeakPolarHBondContact O-CG 3.32Å; L36-L40 PolarHBondContact O-N 3.29Å
37	S	93.3	Very high	92.9	Very high	76 Å²	76	87.8 Å²	87.8	53%	0.531	49%	0.486	S	S	.	.	H	α-helix	trans	-62.6	-45.2	177.5	-174	0	0	0	0	111.3	E33 A34 L40 S41	E33-S37 VanDerWaalsContact O-CB 3.32Å; E33-S37 WeakPolarHBondContact O-CB 3.31Å; E33-S37 PolarHBondContact O-N 2.9Å; A34-S37 PolarHBondContact O-N 3.44Å; S37-L40 PolarHBondContact O-N 2.83Å; S37-S41 PolarHBondContact O-N 2.91Å
38	T	92.9	Very high	93.1	Very high	70 Å²	70	86.4 Å²	86.4	43%	0.429	48%	0.478	S	S	.	.	H	α-helix	trans	-59.9	-52.8	173.3	-57.3	0	0	0	0	110.9	A34 L40 S41 E42	A34-T38 PolarHBondContact O-N 3.01Å; A34-T38 PolarHBondContact O-OG1 3.46Å; A34-T38 VanDerWaalsContact O-OG1 3.12Å; T38-L40 VanDerWaalsContact C-N 3.28Å; T38-L40 PolarHBondContact O-N 3.45Å; T38-S41 CarbonylContact O-C 3.58Å; T38-S41 WeakPolarHBondContact O-CA 3.16Å; T38-S41 WeakPolarHBondContact O-CB 3.16Å; T38-S41 PolarHBondContact O-N 3.26Å; T38-S41 PolarHBondContact O-OG 3.47Å; T38-E42 HydrophobicContact CG2-CG 4.34Å; T38-E42 WeakPolarHBondContact CG2-OE1 3.42Å; T38-E42 WeakPolarHBondContact O-CG 3.47Å; T38-E42 PolarHBondContact O-N 3.29Å
39	A	92.5	Very high	93.3	Very high	50 Å²	50	87.2 Å²	87.2	41%	0.413	48%	0.479	S	S	.	.	H	α-helix	trans	-61.3	-32.8	178.8	0	0	0	0	0	113.2	A35 L36 K43	A35-A39 VanDerWaalsContact O-CB 3.28Å; A35-A39 WeakPolarHBondContact O-CB 3.45Å; A35-A39 PolarHBondContact O-N 2.95Å; L36-A39 PolarHBondContact O-N 2.9Å; A39-K43 WeakPolarHBondContact O-CB 3.33Å; A39-K43 PolarHBondContact O-N 2.8Å
40	L	94.8	Very high	93.6	Very high	70 Å²	70	86.9 Å²	86.9	37%	0.366	48%	0.478	S	S	.	.	H	α-helix	trans	-74.3	-24.4	171.9	-73.7	172.4	0	0	0	112.6	L36 S37 T38 R44	L36-L40 HydrophobicContact CD2-CD1 4.12Å; L36-L40 HydrophobicContact CG-CD1 3.96Å; L36-L40 HydrophobicContact CG-CG 4.42Å; L36-L40 VanDerWaalsContact O-CB 3.26Å; L36-L40 WeakPolarHBondContact O-CB 3.4Å; L36-L40 WeakPolarHBondContact O-CG 3.32Å; L36-L40 PolarHBondContact O-N 3.29Å; S37-L40 PolarHBondContact O-N 2.83Å; T38-L40 VanDerWaalsContact C-N 3.28Å; T38-L40 PolarHBondContact O-N 3.45Å; L40-R44 VanDerWaalsContact C-NH1 3.25Å; L40-R44 VanDerWaalsContact O-CG 3.25Å; L40-R44 WeakPolarHBondContact O-CG 3.43Å; L40-R44 PolarHBondContact O-N 2.77Å; L40-R44 PolarHBondContact O-NH1 2.82Å
41	S	93.3	Very high	93.8	Very high	57 Å²	57	88.4 Å²	88.4	40%	0.399	48%	0.481	S	S	.	.	H	α-helix	trans	-76.9	-46.6	172	76.5	0	0	0	0	111.1	S37 T38 K43 R44 T45	S37-S41 PolarHBondContact O-N 2.91Å; T38-S41 CarbonylContact O-C 3.58Å; T38-S41 WeakPolarHBondContact O-CA 3.16Å; T38-S41 WeakPolarHBondContact O-CB 3.16Å; T38-S41 PolarHBondContact O-N 3.26Å; T38-S41 PolarHBondContact O-OG 3.47Å; S41-K43 VanDerWaalsContact C-N 3.33Å; S41-K43 PolarHBondContact O-N 2.83Å; S41-R44 WeakPolarHBondContact O-CB 3.39Å; S41-R44 PolarHBondContact O-N 2.95Å; S41-T45 PolarHBondContact O-N 3.3Å
42	E	95.3	Very high	94	Very high	106 Å²	106	90 Å²	90	50%	0.495	48%	0.484	S	S	.	.	H	α-helix	trans	-60.4	-40.9	173.5	-67.6	169.7	169.4	0	0	111.3	T38 R44 T45 L46	T38-E42 HydrophobicContact CG2-CG 4.34Å; T38-E42 WeakPolarHBondContact CG2-OE1 3.42Å; T38-E42 WeakPolarHBondContact O-CG 3.47Å; T38-E42 PolarHBondContact O-N 3.29Å; E42-R44 VanDerWaalsContact C-N 3.32Å; E42-R44 PolarHBondContact O-N 3.32Å; E42-T45 WeakPolarHBondContact CA-OG1 3.48Å; E42-T45 PolarHBondContact O-N 2.86Å; E42-T45 PolarHBondContact O-OG1 2.76Å; E42-L46 WeakPolarHBondContact O-CB 3.31Å; E42-L46 VanDerWaalsContact O-CG 3.26Å; E42-L46 WeakPolarHBondContact O-CG 3.23Å; E42-L46 PolarHBondContact O-N 2.75Å
43	K	94.7	Very high	94.2	Very high	108 Å²	108	87.8 Å²	87.8	47%	0.47	48%	0.478	S	S	.	.	H	α-helix	trans	-57.3	-45.5	171.6	-179.6	-174.5	164.8	-171.8	0	111.2	A39 S41 L46 E47	A39-K43 WeakPolarHBondContact O-CB 3.33Å; A39-K43 PolarHBondContact O-N 2.8Å; S41-K43 VanDerWaalsContact C-N 3.33Å; S41-K43 PolarHBondContact O-N 2.83Å; K43-L46 PolarHBondContact O-N 2.62Å; K43-E47 WeakPolarHBondContact CE-OE1 3.25Å; K43-E47 VanDerWaalsContact CE-OE2 3.25Å; K43-E47 WeakPolarHBondContact CE-OE2 3.32Å; K43-E47 HydrophobicContact CG-CG 4.37Å; K43-E47 IonicContact NZ-OE1 3.13Å; K43-E47 PolarHBondContact NZ-OE1 2.88Å; K43-E47 VanDerWaalsContact NZ-OE1 3.13Å; K43-E47 IonicContact NZ-OE2 3.91Å; K43-E47 WeakPolarHBondContact O-CB 3.41Å; K43-E47 WeakPolarHBondContact O-CG 3.41Å; K43-E47 PolarHBondContact O-N 2.83Å
44	R	94.7	Very high	94.4	Very high	156 Å²	156	90.5 Å²	90.5	59%	0.589	48%	0.484	S	S	*	.	H	α-helix	trans	-68.4	-36.5	-179.1	-73.2	174.8	-165.3	107.8	-14.3	112.4	L40 S41 E42 G48	L40-R44 VanDerWaalsContact C-NH1 3.25Å; L40-R44 VanDerWaalsContact O-CG 3.25Å; L40-R44 WeakPolarHBondContact O-CG 3.43Å; L40-R44 PolarHBondContact O-N 2.77Å; L40-R44 PolarHBondContact O-NH1 2.82Å; S41-R44 WeakPolarHBondContact O-CB 3.39Å; S41-R44 PolarHBondContact O-N 2.95Å; E42-R44 VanDerWaalsContact C-N 3.32Å; E42-R44 PolarHBondContact O-N 3.32Å; R44-G48 PolarHBondContact O-N 3.35Å
45	T	95	Very high	94.6	Very high	81 Å²	81	89.2 Å²	89.2	50%	0.497	48%	0.476	S	S	.	.	H	α-helix	trans	-67.2	-44.3	174	55.8	0	0	0	0	110.8	S41 E42 E47 G48 E49	S41-T45 PolarHBondContact O-N 3.3Å; E42-T45 WeakPolarHBondContact CA-OG1 3.48Å; E42-T45 PolarHBondContact O-N 2.86Å; E42-T45 PolarHBondContact O-OG1 2.76Å; T45-E47 PolarHBondContact O-N 3.4Å; T45-G48 CarbonylContact O-C 3.51Å; T45-G48 WeakPolarHBondContact O-CA 3.49Å; T45-G48 PolarHBondContact O-N 2.83Å; T45-G48 VanDerWaalsContact O-N 3.12Å; T45-E49 WeakPolarHBondContact O-CG 3.24Å; T45-E49 PolarHBondContact O-N 2.87Å
46	L	94.7	Very high	94.8	Very high	95 Å²	95	91.7 Å²	91.7	50%	0.497	48%	0.479	S	S	.	.	H	α-helix	trans	-64.2	-36	174.8	-69.3	169.6	0	0	0	113	E42 K43 G48 L50	E42-L46 WeakPolarHBondContact O-CB 3.31Å; E42-L46 VanDerWaalsContact O-CG 3.26Å; E42-L46 WeakPolarHBondContact O-CG 3.23Å; E42-L46 PolarHBondContact O-N 2.75Å; K43-L46 PolarHBondContact O-N 2.62Å; L46-G48 VanDerWaalsContact C-N 3.33Å; L46-L50 VanDerWaalsContact O-CB 3.26Å; L46-L50 WeakPolarHBondContact O-CB 3.31Å; L46-L50 WeakPolarHBondContact O-CG 3.44Å; L46-L50 PolarHBondContact O-N 2.81Å
47	E	95.1	Very high	94.9	Very high	95 Å²	95	90.1 Å²	90.1	44%	0.444	47%	0.474	S	S	.	.	H	α-helix	trans	-66.1	-35	172.3	-79.4	177.2	148.1	0	0	111.9	K43 T45 H51	K43-E47 WeakPolarHBondContact CE-OE1 3.25Å; K43-E47 VanDerWaalsContact CE-OE2 3.25Å; K43-E47 WeakPolarHBondContact CE-OE2 3.32Å; K43-E47 HydrophobicContact CG-CG 4.37Å; K43-E47 IonicContact NZ-OE1 3.13Å; K43-E47 PolarHBondContact NZ-OE1 2.88Å; K43-E47 VanDerWaalsContact NZ-OE1 3.13Å; K43-E47 IonicContact NZ-OE2 3.91Å; K43-E47 WeakPolarHBondContact O-CB 3.41Å; K43-E47 WeakPolarHBondContact O-CG 3.41Å; K43-E47 PolarHBondContact O-N 2.83Å; T45-E47 PolarHBondContact O-N 3.4Å; E47-H51 PolarHBondContact O-N 2.92Å
48	G	94.7	Very high	95.1	Very high	33 Å²	33	89.1 Å²	89.1	34%	0.34	47%	0.47	S	S	.	.	H	α-helix	trans	-67	-51.7	171.3	0	0	0	0	0	112.8	R44 T45 L46 L50 H51 D52	R44-G48 PolarHBondContact O-N 3.35Å; T45-G48 CarbonylContact O-C 3.51Å; T45-G48 WeakPolarHBondContact O-CA 3.49Å; T45-G48 PolarHBondContact O-N 2.83Å; T45-G48 VanDerWaalsContact O-N 3.12Å; L46-G48 VanDerWaalsContact C-N 3.33Å; G48-L50 VanDerWaalsContact C-N 3.29Å; G48-L50 PolarHBondContact O-N 2.85Å; G48-H51 CarbonylContact O-C 3.58Å; G48-H51 WeakPolarHBondContact O-CA 3.17Å; G48-H51 WeakPolarHBondContact O-CB 3.42Å; G48-H51 PolarHBondContact O-N 3.18Å; G48-D52 PolarHBondContact O-N 3.36Å
49	E	95.6	Very high	95.3	Very high	106 Å²	106	93.3 Å²	93.3	50%	0.495	48%	0.482	S	S	.	.	H	α-helix	trans	-57.2	-41.2	175.6	-72.1	169.7	-151.8	0	0	111.6	T45 H51 D52 L53	T45-E49 WeakPolarHBondContact O-CG 3.24Å; T45-E49 PolarHBondContact O-N 2.87Å; E49-H51 VanDerWaalsContact C-N 3.31Å; E49-H51 PolarHBondContact O-N 3.43Å; E49-D52 PolarHBondContact O-N 3.44Å; E49-L53 VanDerWaalsContact O-CB 3.26Å; E49-L53 WeakPolarHBondContact O-CB 3.4Å; E49-L53 VanDerWaalsContact O-CG 3.23Å; E49-L53 WeakPolarHBondContact O-CG 3.24Å; E49-L53 PolarHBondContact O-N 2.91Å
50	L	95.4	Very high	95.5	Very high	87 Å²	87	96.6 Å²	96.6	46%	0.455	49%	0.492	S	S	.	.	H	α-helix	trans	-68	-27.2	173.5	-75.5	171	0	0	0	113.2	L46 G48 R54	L46-L50 VanDerWaalsContact O-CB 3.26Å; L46-L50 WeakPolarHBondContact O-CB 3.31Å; L46-L50 WeakPolarHBondContact O-CG 3.44Å; L46-L50 PolarHBondContact O-N 2.81Å; G48-L50 VanDerWaalsContact C-N 3.29Å; G48-L50 PolarHBondContact O-N 2.85Å; L50-R54 WeakPolarHBondContact O-CB 3.28Å; L50-R54 VanDerWaalsContact O-CD 3.24Å; L50-R54 WeakPolarHBondContact O-CD 3.34Å; L50-R54 WeakPolarHBondContact O-CG 3.19Å; L50-R54 PolarHBondContact O-N 3.5Å
51	H	95.5	Very high	95.6	Very high	132 Å²	132	99.3 Å²	99.3	61%	0.611	50%	0.503	S	S	*	.	H	α-helix	trans	-73.2	-47	172.2	-173.6	81.1	0	0	0	110.8	E47 G48 E49 R54 G55	E47-H51 PolarHBondContact O-N 2.92Å; G48-H51 CarbonylContact O-C 3.58Å; G48-H51 WeakPolarHBondContact O-CA 3.17Å; G48-H51 WeakPolarHBondContact O-CB 3.42Å; G48-H51 PolarHBondContact O-N 3.18Å; E49-H51 VanDerWaalsContact C-N 3.31Å; E49-H51 PolarHBondContact O-N 3.43Å; H51-R54 PolarHBondContact O-N 2.84Å; H51-G55 PolarHBondContact O-N 2.93Å
52	D	95.8	Very high	95.8	Very high	105 Å²	105	99.8 Å²	99.8	56%	0.561	51%	0.51	S	S	*	.	H	α-helix	trans	-64.1	-41.8	177.6	-78.1	-27.5	0	0	0	112.1	G48 E49 G55 Q56	G48-D52 PolarHBondContact O-N 3.36Å; E49-D52 PolarHBondContact O-N 3.44Å; D52-G55 CarbonylContact O-C 3.58Å; D52-G55 WeakPolarHBondContact O-CA 3.45Å; D52-G55 PolarHBondContact O-N 2.87Å; D52-Q56 VanDerWaalsContact O-CG 3.31Å; D52-Q56 WeakPolarHBondContact O-CG 3.43Å; D52-Q56 PolarHBondContact O-N 2.87Å
53	L	95.6	Very high	95.9	Very high	91 Å²	91	97.5 Å²	97.5	48%	0.476	51%	0.51	S	S	.	.	H	α-helix	trans	-63.2	-40.7	174.3	-75	169.3	0	0	0	111.9	E49 G55 Q56 V57	E49-L53 VanDerWaalsContact O-CB 3.26Å; E49-L53 WeakPolarHBondContact O-CB 3.4Å; E49-L53 VanDerWaalsContact O-CG 3.23Å; E49-L53 WeakPolarHBondContact O-CG 3.24Å; E49-L53 PolarHBondContact O-N 2.91Å; L53-G55 VanDerWaalsContact C-N 3.33Å; L53-G55 PolarHBondContact O-N 2.78Å; L53-Q56 PolarHBondContact O-N 2.69Å; L53-V57 WeakPolarHBondContact O-CG2 3.15Å; L53-V57 PolarHBondContact O-N 2.93Å
54	R	96.4	Very high	96	Very high	164 Å²	164	96.9 Å²	96.9	62%	0.619	51%	0.511	S	S	*	.	H	α-helix	trans	-62.8	-40.3	171.8	-75.2	167.5	-176.6	136.2	-4.1	111.6	L50 H51 Q56 V57 A58	L50-R54 WeakPolarHBondContact O-CB 3.28Å; L50-R54 VanDerWaalsContact O-CD 3.24Å; L50-R54 WeakPolarHBondContact O-CD 3.34Å; L50-R54 WeakPolarHBondContact O-CG 3.19Å; L50-R54 PolarHBondContact O-N 3.5Å; H51-R54 PolarHBondContact O-N 2.84Å; R54-Q56 VanDerWaalsContact C-N 3.35Å; R54-V57 PolarHBondContact O-N 3.12Å; R54-A58 WeakPolarHBondContact O-CB 3.35Å; R54-A58 PolarHBondContact O-N 3.28Å
55	G	95.9	Very high	96.1	Very high	29 Å²	29	91.4 Å²	91.4	30%	0.299	50%	0.503	S	S	.	.	H	α-helix	trans	-64.8	-35.6	174.5	0	0	0	0	0	113.3	H51 D52 L53 K59	H51-G55 PolarHBondContact O-N 2.93Å; D52-G55 CarbonylContact O-C 3.58Å; D52-G55 WeakPolarHBondContact O-CA 3.45Å; D52-G55 PolarHBondContact O-N 2.87Å; L53-G55 VanDerWaalsContact C-N 3.33Å; L53-G55 PolarHBondContact O-N 2.78Å; G55-K59 WeakPolarHBondContact O-CB 3.31Å; G55-K59 WeakPolarHBondContact O-CD 3.35Å; G55-K59 WeakPolarHBondContact O-CG 3.4Å; G55-K59 PolarHBondContact O-N 3.45Å
56	Q	96.5	Very high	96.2	Very high	106 Å²	106	91.3 Å²	91.3	50%	0.495	50%	0.496	S	S	.	.	H	α-helix	trans	-69.5	-46.4	173.1	-71.7	173	37	0	0	111.3	D52 L53 R54 A58 K59 L60	D52-Q56 VanDerWaalsContact O-CG 3.31Å; D52-Q56 WeakPolarHBondContact O-CG 3.43Å; D52-Q56 PolarHBondContact O-N 2.87Å; L53-Q56 PolarHBondContact O-N 2.69Å; R54-Q56 VanDerWaalsContact C-N 3.35Å; Q56-A58 PolarHBondContact O-N 2.88Å; Q56-K59 PolarHBondContact O-N 2.89Å; Q56-L60 WeakPolarHBondContact O-CB 3.5Å; Q56-L60 VanDerWaalsContact O-CG 3.29Å; Q56-L60 WeakPolarHBondContact O-CG 3.37Å; Q56-L60 PolarHBondContact O-N 3.32Å
57	V	96.2	Very high	96.3	Very high	76 Å²	76	89.3 Å²	89.3	46%	0.461	49%	0.494	S	S	.	.	H	α-helix	trans	-57.5	-50.6	175.7	169.2	0	0	0	0	110.7	L53 R54 K59 L60 E61	L53-V57 WeakPolarHBondContact O-CG2 3.15Å; L53-V57 PolarHBondContact O-N 2.93Å; R54-V57 PolarHBondContact O-N 3.12Å; V57-K59 VanDerWaalsContact C-N 3.3Å; V57-K59 PolarHBondContact O-N 2.93Å; V57-L60 CarbonylContact O-C 3.6Å; V57-L60 PolarHBondContact O-N 3.4Å; V57-L60 VanDerWaalsContact O-N 3.08Å; V57-E61 HydrophobicContact CG1-CG 4.22Å; V57-E61 WeakPolarHBondContact O-CB 3.2Å; V57-E61 WeakPolarHBondContact O-CG 3.36Å; V57-E61 PolarHBondContact O-N 3.43Å
58	A	96.6	Very high	96.5	Very high	55 Å²	55	90.5 Å²	90.5	46%	0.455	50%	0.498	S	S	.	.	H	α-helix	trans	-60.6	-37	178.8	0	0	0	0	0	113.1	R54 Q56 A62	R54-A58 WeakPolarHBondContact O-CB 3.35Å; R54-A58 PolarHBondContact O-N 3.28Å; Q56-A58 PolarHBondContact O-N 2.88Å; A58-A62 WeakPolarHBondContact O-CB 3.44Å; A58-A62 PolarHBondContact O-N 3.48Å
59	K	96.7	Very high	96.6	Very high	157 Å²	157	93.5 Å²	93.5	68%	0.683	50%	0.501	S	S	*	.	H	α-helix	trans	-67	-41.2	173.4	-74.7	167.9	-175.4	173.1	0	112.1	G55 Q56 V57 A63	G55-K59 WeakPolarHBondContact O-CB 3.31Å; G55-K59 WeakPolarHBondContact O-CD 3.35Å; G55-K59 WeakPolarHBondContact O-CG 3.4Å; G55-K59 PolarHBondContact O-N 3.45Å; Q56-K59 PolarHBondContact O-N 2.89Å; V57-K59 VanDerWaalsContact C-N 3.3Å; V57-K59 PolarHBondContact O-N 2.93Å; K59-A63 VanDerWaalsContact O-CB 3.31Å; K59-A63 WeakPolarHBondContact O-CB 3.41Å; K59-A63 PolarHBondContact O-N 3.01Å
60	L	96.7	Very high	96.7	Very high	119 Å²	119	93.7 Å²	93.7	62%	0.623	50%	0.502	S	S	*	.	H	α-helix	trans	-69.8	-37.5	178.1	-71.6	169.7	0	0	0	111.9	Q56 V57 A63 L64	Q56-L60 WeakPolarHBondContact O-CB 3.5Å; Q56-L60 VanDerWaalsContact O-CG 3.29Å; Q56-L60 WeakPolarHBondContact O-CG 3.37Å; Q56-L60 PolarHBondContact O-N 3.32Å; V57-L60 CarbonylContact O-C 3.6Å; V57-L60 PolarHBondContact O-N 3.4Å; V57-L60 VanDerWaalsContact O-N 3.08Å; L60-A63 PolarHBondContact O-N 2.88Å; L60-L64 WeakPolarHBondContact O-CB 3.35Å; L60-L64 PolarHBondContact O-N 2.91Å
61	E	97.2	Very high	96.8	Very high	128 Å²	128	94.7 Å²	94.7	60%	0.598	51%	0.507	S	S	*	.	H	α-helix	trans	-64.9	-43.9	173.6	-73.1	177.4	155.9	0	0	111.6	V57 L64 G65	V57-E61 HydrophobicContact CG1-CG 4.22Å; V57-E61 WeakPolarHBondContact O-CB 3.2Å; V57-E61 WeakPolarHBondContact O-CG 3.36Å; V57-E61 PolarHBondContact O-N 3.43Å; E61-L64 PolarHBondContact O-N 3.26Å; E61-G65 PolarHBondContact O-N 3Å
62	A	97	Very high	97	Very high	66 Å²	66	94.3 Å²	94.3	55%	0.545	51%	0.506	S	S	.	.	H	α-helix	trans	-63.1	-45.1	174.1	0	0	0	0	0	112.2	A58 G65 E66	A58-A62 WeakPolarHBondContact O-CB 3.44Å; A58-A62 PolarHBondContact O-N 3.48Å; A62-G65 PolarHBondContact O-N 3.33Å; A62-E66 PolarHBondContact O-N 3.1Å
63	A	97.4	Very high	97.1	Very high	59 Å²	59	92.5 Å²	92.5	49%	0.488	50%	0.496	S	S	.	.	H	α-helix	trans	-64.2	-38.8	176.3	0	0	0	0	0	112.3	K59 L60 G65 A67	K59-A63 VanDerWaalsContact O-CB 3.31Å; K59-A63 WeakPolarHBondContact O-CB 3.41Å; K59-A63 PolarHBondContact O-N 3.01Å; L60-A63 PolarHBondContact O-N 2.88Å; A63-G65 VanDerWaalsContact C-N 3.35Å; A63-A67 WeakPolarHBondContact O-CB 3.22Å; A63-A67 PolarHBondContact O-N 2.83Å
64	L	97.2	Very high	97.2	Very high	95 Å²	95	93.3 Å²	93.3	50%	0.497	50%	0.497	S	S	.	.	H	α-helix	trans	-66.6	-35.9	174.1	-179.8	63.2	0	0	0	111.9	L60 E61 K68	L60-L64 WeakPolarHBondContact O-CB 3.35Å; L60-L64 PolarHBondContact O-N 2.91Å; E61-L64 PolarHBondContact O-N 3.26Å; L64-K68 HydrophobicContact CD1-CD 4.45Å; L64-K68 HydrophobicContact CD1-CG 4.47Å; L64-K68 HydrophobicContact CG-CD 4.28Å; L64-K68 WeakPolarHBondContact O-CB 3.44Å; L64-K68 VanDerWaalsContact O-CG 3.22Å; L64-K68 WeakPolarHBondContact O-CG 3.42Å; L64-K68 PolarHBondContact O-N 3.46Å
65	G	97.4	Very high	97.2	Very high	40 Å²	40	90.1 Å²	90.1	41%	0.412	49%	0.491	S	S	.	.	H	α-helix	trans	-63	-51.3	173.6	0	0	0	0	0	112.2	E61 A62 A63 K68 K69	E61-G65 PolarHBondContact O-N 3Å; A62-G65 PolarHBondContact O-N 3.33Å; A63-G65 VanDerWaalsContact C-N 3.35Å; G65-K68 PolarHBondContact O-N 2.99Å; G65-K69 PolarHBondContact O-N 2.85Å
66	E	97.5	Very high	97.3	Very high	79 Å²	79	94 Å²	94	37%	0.369	50%	0.504	S	S	.	.	H	α-helix	trans	-66.9	-39	178.2	-178.1	57.3	-155.1	0	0	111.9	A62 K68 K69 Q70	A62-E66 PolarHBondContact O-N 3.1Å; E66-K68 VanDerWaalsContact C-N 3.35Å; E66-K68 PolarHBondContact O-N 3.45Å; E66-K69 VanDerWaalsContact CD-NZ 3.27Å; E66-K69 PolarHBondContact O-N 3.19Å; E66-K69 IonicContact OE1-NZ 3.61Å; E66-K69 PolarHBondContact OE1-NZ 3.42Å; E66-K69 IonicContact OE2-NZ 3.41Å; E66-K69 PolarHBondContact OE2-NZ 2.97Å; E66-Q70 WeakPolarHBondContact O-CG 3.2Å; E66-Q70 PolarHBondContact O-N 3.37Å; E66-Q70 WeakPolarHBondContact OE1-CG 3.41Å; E66-Q70 PolarHBondContact OE1-NE2 2.93Å
67	A	96.7	Very high	97.3	Very high	54 Å²	54	96.5 Å²	96.5	45%	0.446	51%	0.509	S	S	.	.	H	α-helix	trans	-63.3	-37.6	174	0	0	0	0	0	112.7	A63 L71	A63-A67 WeakPolarHBondContact O-CB 3.22Å; A63-A67 PolarHBondContact O-N 2.83Å; A67-L71 WeakPolarHBondContact O-CB 3.4Å; A67-L71 PolarHBondContact O-N 2.77Å
68	K	98	Very high	97.4	Very high	119 Å²	119	100.4 Å²	100.4	52%	0.517	52%	0.516	S	S	.	.	H	α-helix	trans	-65.9	-40.6	172.6	-79.4	171.3	178.8	175.1	0	112.1	L64 G65 E66 L71 Q72	L64-K68 HydrophobicContact CD1-CD 4.45Å; L64-K68 HydrophobicContact CD1-CG 4.47Å; L64-K68 HydrophobicContact CG-CD 4.28Å; L64-K68 WeakPolarHBondContact O-CB 3.44Å; L64-K68 VanDerWaalsContact O-CG 3.22Å; L64-K68 WeakPolarHBondContact O-CG 3.42Å; L64-K68 PolarHBondContact O-N 3.46Å; G65-K68 PolarHBondContact O-N 2.99Å; E66-K68 VanDerWaalsContact C-N 3.35Å; E66-K68 PolarHBondContact O-N 3.45Å; K68-L71 PolarHBondContact O-N 2.87Å; K68-Q72 WeakPolarHBondContact O-CG 3.37Å; K68-Q72 PolarHBondContact O-N 3.47Å
69	K	97.9	Very high	97.5	Very high	96 Å²	96	101.1 Å²	101.1	42%	0.417	51%	0.514	S	S	.	.	H	α-helix	trans	-62.9	-48.5	174.7	173.7	174.2	143.3	-97.1	0	111.3	G65 E66 L71 Q72 D73	G65-K69 PolarHBondContact O-N 2.85Å; E66-K69 VanDerWaalsContact CD-NZ 3.27Å; E66-K69 PolarHBondContact O-N 3.19Å; E66-K69 IonicContact OE1-NZ 3.61Å; E66-K69 PolarHBondContact OE1-NZ 3.42Å; E66-K69 IonicContact OE2-NZ 3.41Å; E66-K69 PolarHBondContact OE2-NZ 2.97Å; K69-L71 VanDerWaalsContact C-N 3.29Å; K69-L71 PolarHBondContact O-N 3.29Å; K69-Q72 WeakPolarHBondContact O-CA 3.46Å; K69-Q72 WeakPolarHBondContact O-CB 3.43Å; K69-Q72 PolarHBondContact O-N 2.9Å; K69-D73 PolarHBondContact O-N 3.46Å
70	Q	98	Very high	97.6	Very high	110 Å²	110	96.7 Å²	96.7	51%	0.514	50%	0.498	S	S	.	.	H	α-helix	trans	-60.5	-38.4	176.7	-70.3	174.8	10.4	0	0	112	E66 D73 E74	E66-Q70 WeakPolarHBondContact O-CG 3.2Å; E66-Q70 PolarHBondContact O-N 3.37Å; E66-Q70 WeakPolarHBondContact OE1-CG 3.41Å; E66-Q70 PolarHBondContact OE1-NE2 2.93Å; Q70-D73 PolarHBondContact O-N 3.03Å; Q70-E74 WeakPolarHBondContact O-CB 3.31Å; Q70-E74 PolarHBondContact O-N 2.83Å
71	L	97.7	Very high	97.6	Very high	108 Å²	108	93.6 Å²	93.6	57%	0.565	49%	0.49	S	S	*	.	H	α-helix	trans	-63.4	-39.3	171.9	-179.7	62.5	0	0	0	112.3	A67 K68 K69 M75	A67-L71 WeakPolarHBondContact O-CB 3.4Å; A67-L71 PolarHBondContact O-N 2.77Å; K68-L71 PolarHBondContact O-N 2.87Å; K69-L71 VanDerWaalsContact C-N 3.29Å; K69-L71 PolarHBondContact O-N 3.29Å; L71-M75 HydrophobicContact CD1-CG 4.33Å; L71-M75 HydrophobicContact CG-CE 4.18Å; L71-M75 HydrophobicContact CG-SD 4.47Å; L71-M75 VanDerWaalsContact O-CB 3.31Å; L71-M75 WeakPolarHBondContact O-CB 3.48Å; L71-M75 WeakPolarHBondContact O-CG 3.24Å; L71-M75 PolarHBondContact O-N 3.19Å
72	Q	98.1	Very high	97.7	Very high	125 Å²	125	91.9 Å²	91.9	58%	0.584	48%	0.481	S	S	*	.	H	α-helix	trans	-66.9	-45.4	175.2	-74.1	172.8	-31.8	0	0	112.2	K68 K69 E74 M75 L76	K68-Q72 WeakPolarHBondContact O-CG 3.37Å; K68-Q72 PolarHBondContact O-N 3.47Å; K69-Q72 WeakPolarHBondContact O-CA 3.46Å; K69-Q72 WeakPolarHBondContact O-CB 3.43Å; K69-Q72 PolarHBondContact O-N 2.9Å; Q72-E74 VanDerWaalsContact C-N 3.34Å; Q72-E74 PolarHBondContact O-N 3.28Å; Q72-M75 HydrophobicContact CG-CE 4.12Å; Q72-M75 PolarHBondContact O-N 2.64Å; Q72-L76 WeakPolarHBondContact O-CB 3.49Å; Q72-L76 PolarHBondContact O-N 3.34Å
73	D	97.9	Very high	97.7	Very high	66 Å²	66	93.1 Å²	93.1	35%	0.353	48%	0.479	S	S	.	.	H	α-helix	trans	-60.8	-41.8	176.7	-69.1	-25.6	0	0	0	111.3	K69 Q70 L76 R77	K69-D73 PolarHBondContact O-N 3.46Å; Q70-D73 PolarHBondContact O-N 3.03Å; D73-L76 PolarHBondContact O-N 3.34Å; D73-R77 VanDerWaalsContact O-CG 3.29Å; D73-R77 WeakPolarHBondContact O-CG 3.46Å; D73-R77 PolarHBondContact O-N 3.33Å
74	E	97.5	Very high	97.7	Very high	108 Å²	108	97.9 Å²	97.9	51%	0.505	48%	0.484	S	S	.	.	H	α-helix	trans	-77	-32.7	179.8	-153.9	67.3	-171.8	0	0	112.8	Q70 Q72 R77 R78	Q70-E74 WeakPolarHBondContact O-CB 3.31Å; Q70-E74 PolarHBondContact O-N 2.83Å; Q72-E74 VanDerWaalsContact C-N 3.34Å; Q72-E74 PolarHBondContact O-N 3.28Å; E74-R77 PolarHBondContact O-N 2.85Å; E74-R77 WeakPolarHBondContact OE2-CD 3.44Å; E74-R77 IonicContact OE2-CZ 3.18Å; E74-R77 IonicContact OE2-NE 2.8Å; E74-R77 IonicContact OE2-NH1 2.72Å; E74-R77 PolarHBondContact OE2-NH1 2.89Å; E74-R78 WeakPolarHBondContact O-CB 3.22Å; E74-R78 PolarHBondContact O-N 3.01Å
75	M	97.5	Very high	97.8	Very high	98 Å²	98	97.8 Å²	97.8	48%	0.483	48%	0.484	S	S	.	.	H	α-helix	trans	-62.6	-41.6	168.2	-78.4	-172.4	-54.9	0	0	111.6	L71 Q72 R78 V79	L71-M75 HydrophobicContact CD1-CG 4.33Å; L71-M75 HydrophobicContact CG-CE 4.18Å; L71-M75 HydrophobicContact CG-SD 4.47Å; L71-M75 VanDerWaalsContact O-CB 3.31Å; L71-M75 WeakPolarHBondContact O-CB 3.48Å; L71-M75 WeakPolarHBondContact O-CG 3.24Å; L71-M75 PolarHBondContact O-N 3.19Å; Q72-M75 HydrophobicContact CG-CE 4.12Å; Q72-M75 PolarHBondContact O-N 2.64Å; M75-R78 PolarHBondContact O-N 3.39Å; M75-V79 WeakPolarHBondContact O-CG2 3.33Å; M75-V79 PolarHBondContact O-N 2.88Å
76	L	97.6	Very high	97.8	Very high	110 Å²	110	99.9 Å²	99.9	58%	0.576	48%	0.483	S	S	*	.	H	α-helix	trans	-63.1	-48	176	179.7	61.4	0	0	0	111	Q72 D73 R78 V79 D80	Q72-L76 WeakPolarHBondContact O-CB 3.49Å; Q72-L76 PolarHBondContact O-N 3.34Å; D73-L76 PolarHBondContact O-N 3.34Å; L76-R78 VanDerWaalsContact C-N 3.3Å; L76-R78 PolarHBondContact O-N 2.86Å; L76-V79 PolarHBondContact O-N 2.86Å; L76-D80 WeakPolarHBondContact O-CB 3.15Å; L76-D80 PolarHBondContact O-N 3.25Å
77	R	97.5	Very high	97.8	Very high	158 Å²	158	100.1 Å²	100.1	60%	0.596	49%	0.49	S	S	*	.	H	α-helix	trans	-57.6	-40.6	174.7	-72.9	163.4	-179.1	171.8	3.8	112.6	D73 E74 A81	D73-R77 VanDerWaalsContact O-CG 3.29Å; D73-R77 WeakPolarHBondContact O-CG 3.46Å; D73-R77 PolarHBondContact O-N 3.33Å; E74-R77 PolarHBondContact O-N 2.85Å; E74-R77 WeakPolarHBondContact OE2-CD 3.44Å; E74-R77 IonicContact OE2-CZ 3.18Å; E74-R77 IonicContact OE2-NE 2.8Å; E74-R77 IonicContact OE2-NH1 2.72Å; E74-R77 PolarHBondContact OE2-NH1 2.89Å; R77-A81 WeakPolarHBondContact O-CB 3.47Å; R77-A81 PolarHBondContact O-N 2.81Å
78	R	98.3	Very high	97.9	Very high	159 Å²	159	102.9 Å²	102.9	60%	0.6	50%	0.497	S	S	*	.	H	α-helix	trans	-62.4	-49	175.5	178.6	-176.8	164.9	-148.6	-17.8	111.3	E74 M75 L76 D80 A81 E82	E74-R78 WeakPolarHBondContact O-CB 3.22Å; E74-R78 PolarHBondContact O-N 3.01Å; M75-R78 PolarHBondContact O-N 3.39Å; L76-R78 VanDerWaalsContact C-N 3.3Å; L76-R78 PolarHBondContact O-N 2.86Å; R78-D80 VanDerWaalsContact C-N 3.34Å; R78-D80 PolarHBondContact O-N 3.36Å; R78-A81 PolarHBondContact O-N 2.91Å; R78-E82 HydrophobicContact CG-CG 4.44Å; R78-E82 IonicContact CZ-OE1 2.94Å; R78-E82 IonicContact NE-OE1 3.79Å; R78-E82 PolarHBondContact NE-OE1 3.06Å; R78-E82 IonicContact NE-OE2 3.6Å; R78-E82 IonicContact NH2-OE1 2.79Å; R78-E82 PolarHBondContact NH2-OE1 2.84Å; R78-E82 IonicContact NH2-OE2 2.69Å; R78-E82 WeakPolarHBondContact O-CG 3.19Å; R78-E82 PolarHBondContact O-N 2.99Å
79	V	98.2	Very high	97.9	Very high	69 Å²	69	102.2 Å²	102.2	42%	0.418	49%	0.494	S	S	.	.	H	α-helix	trans	-62.9	-41.6	179	169.8	0	0	0	0	111	M75 L76 A81 E82 N83	M75-V79 WeakPolarHBondContact O-CG2 3.33Å; M75-V79 PolarHBondContact O-N 2.88Å; L76-V79 PolarHBondContact O-N 2.86Å; V79-A81 VanDerWaalsContact C-N 3.33Å; V79-A81 PolarHBondContact O-N 3.17Å; V79-E82 PolarHBondContact O-N 2.9Å; V79-N83 WeakPolarHBondContact O-CB 3.33Å; V79-N83 PolarHBondContact O-N 3.35Å; V79-N83 PolarHBondContact O-ND2 3.41Å
80	D	97.8	Very high	97.9	Very high	64 Å²	64	102.8 Å²	102.8	34%	0.342	50%	0.498	S	S	.	.	H	α-helix	trans	-59.1	-41.3	172.7	-100.9	23.5	0	0	0	112.9	L76 R78 R84	L76-D80 WeakPolarHBondContact O-CB 3.15Å; L76-D80 PolarHBondContact O-N 3.25Å; R78-D80 VanDerWaalsContact C-N 3.34Å; R78-D80 PolarHBondContact O-N 3.36Å; D80-R84 WeakPolarHBondContact O-CB 3.28Å; D80-R84 WeakPolarHBondContact O-CG 3.37Å; D80-R84 PolarHBondContact O-N 2.92Å; D80-R84 IonicContact OD2-CZ 2.76Å; D80-R84 IonicContact OD2-NH2 3.86Å; D80-R84 PolarHBondContact OD2-NH2 3.05Å
81	A	97.6	Very high	97.9	Very high	55 Å²	55	102 Å²	102	46%	0.455	49%	0.494	S	S	.	.	H	α-helix	trans	-69.9	-40.8	177.1	0	0	0	0	0	112.1	R77 R78 V79 R84 L85	R77-A81 WeakPolarHBondContact O-CB 3.47Å; R77-A81 PolarHBondContact O-N 2.81Å; R78-A81 PolarHBondContact O-N 2.91Å; V79-A81 VanDerWaalsContact C-N 3.33Å; V79-A81 PolarHBondContact O-N 3.17Å; A81-R84 PolarHBondContact O-N 3.43Å; A81-L85 WeakPolarHBondContact O-CB 3.35Å; A81-L85 PolarHBondContact O-N 3.47Å
82	E	98.1	Very high	97.9	Very high	91 Å²	91	101.1 Å²	101.1	43%	0.425	49%	0.49	S	S	.	.	H	α-helix	trans	-63.9	-42.2	174.9	-73.9	176.5	171.8	0	0	111.3	R78 V79 L85 Q86	R78-E82 HydrophobicContact CG-CG 4.44Å; R78-E82 IonicContact CZ-OE1 2.94Å; R78-E82 IonicContact NE-OE1 3.79Å; R78-E82 PolarHBondContact NE-OE1 3.06Å; R78-E82 IonicContact NE-OE2 3.6Å; R78-E82 IonicContact NH2-OE1 2.79Å; R78-E82 PolarHBondContact NH2-OE1 2.84Å; R78-E82 IonicContact NH2-OE2 2.69Å; R78-E82 WeakPolarHBondContact O-CG 3.19Å; R78-E82 PolarHBondContact O-N 2.99Å; V79-E82 PolarHBondContact O-N 2.9Å; E82-L85 PolarHBondContact O-N 2.89Å; E82-Q86 WeakPolarHBondContact O-CB 3.38Å; E82-Q86 PolarHBondContact O-N 2.95Å
83	N	98.1	Very high	97.9	Very high	92 Å²	92	98.9 Å²	98.9	49%	0.492	48%	0.482	S	S	.	.	H	α-helix	trans	-60.8	-50.2	173.9	-72.7	-25.4	0	0	0	111.8	V79 L85 Q86 T87	V79-N83 WeakPolarHBondContact O-CB 3.33Å; V79-N83 PolarHBondContact O-N 3.35Å; V79-N83 PolarHBondContact O-ND2 3.41Å; N83-L85 VanDerWaalsContact C-N 3.32Å; N83-L85 PolarHBondContact O-N 3.27Å; N83-Q86 WeakPolarHBondContact O-CB 3.33Å; N83-Q86 PolarHBondContact O-N 2.79Å; N83-Q86 VanDerWaalsContact O-N 3.13Å; N83-T87 PolarHBondContact O-N 3.3Å; N83-T87 PolarHBondContact O-OG1 3.36Å
84	R	98.2	Very high	97.9	Very high	159 Å²	159	102 Å²	102	60%	0.6	49%	0.492	S	S	*	.	H	α-helix	trans	-62	-39.4	177.6	-69.7	169	-156.8	178.2	10.5	112	D80 A81 Q86 T87 L88	D80-R84 WeakPolarHBondContact O-CB 3.28Å; D80-R84 WeakPolarHBondContact O-CG 3.37Å; D80-R84 PolarHBondContact O-N 2.92Å; D80-R84 IonicContact OD2-CZ 2.76Å; D80-R84 IonicContact OD2-NH2 3.86Å; D80-R84 PolarHBondContact OD2-NH2 3.05Å; A81-R84 PolarHBondContact O-N 3.43Å; R84-Q86 VanDerWaalsContact C-N 3.3Å; R84-Q86 PolarHBondContact O-N 2.85Å; R84-T87 PolarHBondContact O-N 2.96Å; R84-L88 WeakPolarHBondContact O-CB 3.3Å; R84-L88 VanDerWaalsContact O-CG 3.31Å; R84-L88 WeakPolarHBondContact O-CG 3.46Å; R84-L88 PolarHBondContact O-N 3.31Å
85	L	97.8	Very high	97.9	Very high	93 Å²	93	100.3 Å²	100.3	49%	0.487	48%	0.484	S	S	.	.	H	α-helix	trans	-66	-32.8	175.9	-179.1	149.7	0	0	0	111.9	A81 E82 N83 K89	A81-L85 WeakPolarHBondContact O-CB 3.35Å; A81-L85 PolarHBondContact O-N 3.47Å; E82-L85 PolarHBondContact O-N 2.89Å; N83-L85 VanDerWaalsContact C-N 3.32Å; N83-L85 PolarHBondContact O-N 3.27Å; L85-K89 HydrophobicContact CD2-CD 4.15Å; L85-K89 VanDerWaalsContact CD2-CE 3.43Å; L85-K89 WeakPolarHBondContact O-CG 3.19Å; L85-K89 PolarHBondContact O-N 3.3Å
86	Q	98	Very high	97.9	Very high	84 Å²	84	100.7 Å²	100.7	39%	0.393	48%	0.483	S	S	.	.	H	α-helix	trans	-70.2	-47.1	172.7	-176.7	57.9	23.7	0	0	111.6	E82 N83 R84 L88 K89 E90	E82-Q86 WeakPolarHBondContact O-CB 3.38Å; E82-Q86 PolarHBondContact O-N 2.95Å; N83-Q86 WeakPolarHBondContact O-CB 3.33Å; N83-Q86 PolarHBondContact O-N 2.79Å; N83-Q86 VanDerWaalsContact O-N 3.13Å; R84-Q86 VanDerWaalsContact C-N 3.3Å; R84-Q86 PolarHBondContact O-N 2.85Å; Q86-L88 VanDerWaalsContact C-N 3.31Å; Q86-L88 PolarHBondContact O-N 2.96Å; Q86-K89 WeakPolarHBondContact O-CB 3.49Å; Q86-K89 PolarHBondContact O-N 2.72Å; Q86-K89 VanDerWaalsContact O-N 3.1Å; Q86-E90 WeakPolarHBondContact CG-OE1 3.29Å; Q86-E90 PolarHBondContact NE2-OE1 3.41Å; Q86-E90 WeakPolarHBondContact O-CG 3.4Å; Q86-E90 PolarHBondContact O-N 3.46Å
87	T	98.1	Very high	98	Very high	85 Å²	85	100.4 Å²	100.4	52%	0.521	48%	0.482	S	S	.	.	H	α-helix	trans	-58.2	-41.1	174.6	-51.9	0	0	0	0	112.1	N83 R84 K89 E90 E91	N83-T87 PolarHBondContact O-N 3.3Å; N83-T87 PolarHBondContact O-OG1 3.36Å; R84-T87 PolarHBondContact O-N 2.96Å; T87-K89 VanDerWaalsContact C-N 3.33Å; T87-K89 PolarHBondContact O-N 3.49Å; T87-E90 PolarHBondContact O-N 3.21Å; T87-E91 WeakPolarHBondContact O-CB 3.33Å; T87-E91 PolarHBondContact O-N 2.99Å
88	L	97.8	Very high	98	Very high	112 Å²	112	95.9 Å²	95.9	59%	0.586	47%	0.47	S	S	*	.	H	α-helix	trans	-67.8	-28.2	177.1	-73.3	168.1	0	0	0	113.5	R84 Q86 L92	R84-L88 WeakPolarHBondContact O-CB 3.3Å; R84-L88 VanDerWaalsContact O-CG 3.31Å; R84-L88 WeakPolarHBondContact O-CG 3.46Å; R84-L88 PolarHBondContact O-N 3.31Å; Q86-L88 VanDerWaalsContact C-N 3.31Å; Q86-L88 PolarHBondContact O-N 2.96Å; L88-L92 WeakPolarHBondContact O-CB 3.35Å; L88-L92 PolarHBondContact O-N 2.93Å
89	K	98.1	Very high	97.9	Very high	104 Å²	104	95.1 Å²	95.1	45%	0.452	47%	0.467	S	S	.	.	H	α-helix	trans	-70.5	-46	170.4	-74.6	166.9	177.1	168.6	0	111.2	L85 Q86 T87 E91 L92 D93	L85-K89 HydrophobicContact CD2-CD 4.15Å; L85-K89 VanDerWaalsContact CD2-CE 3.43Å; L85-K89 WeakPolarHBondContact O-CG 3.19Å; L85-K89 PolarHBondContact O-N 3.3Å; Q86-K89 WeakPolarHBondContact O-CB 3.49Å; Q86-K89 PolarHBondContact O-N 2.72Å; Q86-K89 VanDerWaalsContact O-N 3.1Å; T87-K89 VanDerWaalsContact C-N 3.33Å; T87-K89 PolarHBondContact O-N 3.49Å; K89-E91 VanDerWaalsContact C-N 3.32Å; K89-E91 PolarHBondContact O-N 3.32Å; K89-L92 PolarHBondContact O-N 3.47Å; K89-D93 PolarHBondContact O-N 2.86Å
90	E	98.1	Very high	97.9	Very high	108 Å²	108	94.7 Å²	94.7	51%	0.505	47%	0.468	S	S	.	.	H	α-helix	trans	-61.6	-41.8	178.9	-71	165.5	-174.2	0	0	110.9	Q86 T87 F94	Q86-E90 WeakPolarHBondContact CG-OE1 3.29Å; Q86-E90 PolarHBondContact NE2-OE1 3.41Å; Q86-E90 WeakPolarHBondContact O-CG 3.4Å; Q86-E90 PolarHBondContact O-N 3.46Å; T87-E90 PolarHBondContact O-N 3.21Å; E90-F94 WeakPolarHBondContact O-CB 3.48Å; E90-F94 PolarHBondContact O-N 2.88Å
91	E	98.2	Very high	97.9	Very high	94 Å²	94	95.9 Å²	95.9	44%	0.439	47%	0.471	S	S	.	.	H	α-helix	trans	-63.9	-45.6	172.2	-168.3	-173.6	167.6	0	0	112.1	T87 K89 D93 F94 Q95	T87-E91 WeakPolarHBondContact O-CB 3.33Å; T87-E91 PolarHBondContact O-N 2.99Å; K89-E91 VanDerWaalsContact C-N 3.32Å; K89-E91 PolarHBondContact O-N 3.32Å; E91-D93 PolarHBondContact O-N 2.93Å; E91-F94 PolarHBondContact O-N 2.83Å; E91-Q95 HydrophobicContact CG-CG 4.46Å; E91-Q95 WeakPolarHBondContact O-CB 3.38Å; E91-Q95 WeakPolarHBondContact O-CG 3.33Å; E91-Q95 PolarHBondContact O-N 3.32Å; E91-Q95 PolarHBondContact OE1-NE2 2.91Å
92	L	97.5	Very high	97.9	Very high	90 Å²	90	98.5 Å²	98.5	47%	0.471	47%	0.474	S	S	.	.	H	α-helix	trans	-60.6	-42.6	178.8	174.7	63	0	0	0	112.2	L88 K89 K96	L88-L92 WeakPolarHBondContact O-CB 3.35Å; L88-L92 PolarHBondContact O-N 2.93Å; K89-L92 PolarHBondContact O-N 3.47Å; L92-K96 VanDerWaalsContact O-CG 3.3Å; L92-K96 WeakPolarHBondContact O-CG 3.24Å; L92-K96 PolarHBondContact O-N 2.84Å
93	D	98	Very high	97.9	Very high	78 Å²	78	98.5 Å²	98.5	42%	0.417	48%	0.477	S	S	.	.	H	α-helix	trans	-75.2	-32.5	178.6	-71	-23.6	0	0	0	112.1	K89 E91 K96 N97	K89-D93 PolarHBondContact O-N 2.86Å; E91-D93 PolarHBondContact O-N 2.93Å; D93-K96 PolarHBondContact O-N 3.39Å; D93-K96 WeakPolarHBondContact OD1-CD 3.48Å; D93-K96 IonicContact OD1-NZ 2.73Å; D93-K96 PolarHBondContact OD1-NZ 3.08Å; D93-N97 WeakPolarHBondContact O-CB 3.44Å; D93-N97 PolarHBondContact O-N 2.9Å; D93-N97 PolarHBondContact O-ND2 3.32Å
94	F	97.9	Very high	97.8	Very high	131 Å²	131	100.5 Å²	100.5	58%	0.575	48%	0.477	S	S	*	.	H	α-helix	trans	-61.9	-47	168.7	179.1	-109.5	0	0	0	112.1	E90 E91 N97 I98	E90-F94 WeakPolarHBondContact O-CB 3.48Å; E90-F94 PolarHBondContact O-N 2.88Å; E91-F94 PolarHBondContact O-N 2.83Å; F94-N97 PolarHBondContact O-N 3.32Å; F94-I98 HydrophobicContact CD1-CD1 3.92Å; F94-I98 HydrophobicContact CE1-CD1 3.45Å; F94-I98 VanDerWaalsContact CE1-CD1 3.45Å; F94-I98 HydrophobicContact CE2-CD1 4.21Å; F94-I98 HydrophobicContact CG-CD1 4.49Å; F94-I98 HydrophobicContact CZ-CD1 3.62Å; F94-I98 HydrophobicContact CZ-CG1 4.48Å; F94-I98 PolarHBondContact O-N 2.88Å
95	Q	98.1	Very high	97.8	Very high	72 Å²	72	95.7 Å²	95.7	34%	0.336	46%	0.461	S	S	.	.	H	α-helix	trans	-62.1	-44	175.8	-72	-175.8	22.7	0	0	112	E91 N97 I98 Y99	E91-Q95 HydrophobicContact CG-CG 4.46Å; E91-Q95 WeakPolarHBondContact O-CB 3.38Å; E91-Q95 WeakPolarHBondContact O-CG 3.33Å; E91-Q95 PolarHBondContact O-N 3.32Å; E91-Q95 PolarHBondContact OE1-NE2 2.91Å; Q95-N97 VanDerWaalsContact C-N 3.31Å; Q95-N97 PolarHBondContact O-N 2.93Å; Q95-I98 PolarHBondContact O-N 3.5Å; Q95-Y99 HydrophobicContact CB-CD2 4.49Å; Q95-Y99 HydrophobicContact CB-CE2 4.1Å; Q95-Y99 WeakPolarHBondContact O-CD2 3.48Å; Q95-Y99 PolarHBondContact O-N 3.32Å
96	K	98.1	Very high	97.8	Very high	106 Å²	106	94.2 Å²	94.2	46%	0.461	46%	0.456	S	S	.	.	H	α-helix	trans	-55.8	-45.5	173	-73.9	169.7	-163.5	156.5	0	111.8	L92 D93 Y99 S100	L92-K96 VanDerWaalsContact O-CG 3.3Å; L92-K96 WeakPolarHBondContact O-CG 3.24Å; L92-K96 PolarHBondContact O-N 2.84Å; D93-K96 PolarHBondContact O-N 3.39Å; D93-K96 WeakPolarHBondContact OD1-CD 3.48Å; D93-K96 IonicContact OD1-NZ 2.73Å; D93-K96 PolarHBondContact OD1-NZ 3.08Å; K96-Y99 PolarHBondContact O-N 3.46Å; K96-S100 WeakPolarHBondContact O-CB 3.38Å; K96-S100 PolarHBondContact O-N 3.37Å
97	N	97.9	Very high	97.8	Very high	104 Å²	104	96.3 Å²	96.3	56%	0.556	46%	0.464	S	S	*	.	H	α-helix	trans	-64.3	-43.7	-179.6	-71.7	-21.7	0	0	0	111.2	D93 F94 Q95 S100 E101	D93-N97 WeakPolarHBondContact O-CB 3.44Å; D93-N97 PolarHBondContact O-N 2.9Å; D93-N97 PolarHBondContact O-ND2 3.32Å; F94-N97 PolarHBondContact O-N 3.32Å; Q95-N97 VanDerWaalsContact C-N 3.31Å; Q95-N97 PolarHBondContact O-N 2.93Å; N97-S100 PolarHBondContact O-N 3.23Å; N97-S100 PolarHBondContact O-OG 2.71Å; N97-E101 PolarHBondContact O-N 3.43Å
98	I	98	Very high	97.8	Very high	64 Å²	64	96.3 Å²	96.3	33%	0.328	46%	0.455	S	S	.	.	H	α-helix	trans	-56.8	-56.4	173.4	-72.5	174.2	0	0	0	110.8	F94 Q95 S100 E101 E102	F94-I98 HydrophobicContact CD1-CD1 3.92Å; F94-I98 HydrophobicContact CE1-CD1 3.45Å; F94-I98 VanDerWaalsContact CE1-CD1 3.45Å; F94-I98 HydrophobicContact CE2-CD1 4.21Å; F94-I98 HydrophobicContact CG-CD1 4.49Å; F94-I98 HydrophobicContact CZ-CD1 3.62Å; F94-I98 HydrophobicContact CZ-CG1 4.48Å; F94-I98 PolarHBondContact O-N 2.88Å; Q95-I98 PolarHBondContact O-N 3.5Å; I98-S100 PolarHBondContact O-N 2.85Å; I98-E101 PolarHBondContact O-N 3.02Å; I98-E102 HydrophobicContact CG2-CG 4.16Å; I98-E102 WeakPolarHBondContact O-CG 3.37Å; I98-E102 PolarHBondContact O-N 3.2Å
99	Y	97.5	Very high	97.7	Very high	142 Å²	142	98.3 Å²	98.3	56%	0.557	45%	0.454	S	S	*	.	H	α-helix	trans	-61.5	-30.2	-178.9	-62.7	-50.2	0	0	0	112.6	Q95 K96 L103	Q95-Y99 HydrophobicContact CB-CD2 4.49Å; Q95-Y99 HydrophobicContact CB-CE2 4.1Å; Q95-Y99 WeakPolarHBondContact O-CD2 3.48Å; Q95-Y99 PolarHBondContact O-N 3.32Å; K96-Y99 PolarHBondContact O-N 3.46Å; Y99-L103 WeakPolarHBondContact O-CB 3.47Å; Y99-L103 PolarHBondContact O-N 2.88Å
100	S	97.9	Very high	97.7	Very high	61 Å²	61	98.8 Å²	98.8	43%	0.427	46%	0.458	S	S	.	.	H	α-helix	trans	-69.4	-39.7	174.9	84.4	0	0	0	0	112.4	K96 N97 I98 R104	K96-S100 WeakPolarHBondContact O-CB 3.38Å; K96-S100 PolarHBondContact O-N 3.37Å; N97-S100 PolarHBondContact O-N 3.23Å; N97-S100 PolarHBondContact O-OG 2.71Å; I98-S100 PolarHBondContact O-N 2.85Å; S100-R104 WeakPolarHBondContact O-CB 3.5Å; S100-R104 PolarHBondContact O-N 2.9Å
101	E	97.4	Very high	97.6	Very high	88 Å²	88	99.7 Å²	99.7	41%	0.411	46%	0.462	S	S	.	.	H	α-helix	trans	-74.5	-40.1	176.2	-83.3	-62.1	138	0	0	112.2	N97 I98 L103 R104 E105	N97-E101 PolarHBondContact O-N 3.43Å; I98-E101 PolarHBondContact O-N 3.02Å; E101-L103 VanDerWaalsContact C-N 3.31Å; E101-L103 PolarHBondContact O-N 2.96Å; E101-R104 VanDerWaalsContact CD-NE 3.27Å; E101-R104 CarbonylContact O-C 3.53Å; E101-R104 PolarHBondContact O-N 3.49Å; E101-R104 VanDerWaalsContact O-N 3.15Å; E101-R104 IonicContact OE1-CZ 3.65Å; E101-R104 VanDerWaalsContact OE1-CZ 3.3Å; E101-R104 IonicContact OE1-NE 3.7Å; E101-R104 PolarHBondContact OE1-NE 2.9Å; E101-R104 IonicContact OE1-NH2 3.75Å; E101-R104 PolarHBondContact OE1-NH2 2.91Å; E101-R104 IonicContact OE2-CZ 2.71Å; E101-R104 VanDerWaalsContact OE2-CZ 3.28Å; E101-R104 IonicContact OE2-NE 3.03Å; E101-R104 PolarHBondContact OE2-NE 3.29Å; E101-R104 IonicContact OE2-NH2 2.64Å; E101-R104 PolarHBondContact OE2-NH2 3.44Å; E101-E105 WeakPolarHBondContact O-CB 3.43Å; E101-E105 PolarHBondContact O-N 3.07Å
102	E	97.6	Very high	97.6	Very high	110 Å²	110	98.7 Å²	98.7	51%	0.514	46%	0.463	S	S	.	.	H	α-helix	trans	-60.5	-40.7	171.5	-70.8	-175.3	156.6	0	0	111.7	I98 E105 T106	I98-E102 HydrophobicContact CG2-CG 4.16Å; I98-E102 WeakPolarHBondContact O-CG 3.37Å; I98-E102 PolarHBondContact O-N 3.2Å; E102-E105 PolarHBondContact O-N 3.08Å; E102-T106 WeakPolarHBondContact O-CB 3.32Å; E102-T106 VanDerWaalsContact O-CG2 3.31Å; E102-T106 WeakPolarHBondContact O-CG2 3.21Å; E102-T106 PolarHBondContact O-N 3.11Å; E102-T106 PolarHBondContact O-OG1 3.1Å
103	L	96.9	Very high	97.5	Very high	92 Å²	92	101.2 Å²	101.2	48%	0.482	47%	0.466	S	S	.	.	H	α-helix	trans	-68	-34.6	174.5	-173.8	61.3	0	0	0	112.1	Y99 E101 T106 K107	Y99-L103 WeakPolarHBondContact O-CB 3.47Å; Y99-L103 PolarHBondContact O-N 2.88Å; E101-L103 VanDerWaalsContact C-N 3.31Å; E101-L103 PolarHBondContact O-N 2.96Å; L103-T106 WeakPolarHBondContact CA-OG1 3.35Å; L103-T106 PolarHBondContact O-OG1 3.39Å; L103-K107 HydrophobicContact CD1-CD 4.44Å; L103-K107 HydrophobicContact CG-CD 4.28Å; L103-K107 VanDerWaalsContact O-CB 3.27Å; L103-K107 WeakPolarHBondContact O-CB 3.31Å; L103-K107 WeakPolarHBondContact O-CD 3.39Å; L103-K107 WeakPolarHBondContact O-CG 3.5Å; L103-K107 PolarHBondContact O-N 2.93Å; L103-K107 VanDerWaalsContact O-N 3.14Å
104	R	97.8	Very high	97.4	Very high	134 Å²	134	102.3 Å²	102.3	51%	0.506	47%	0.471	S	S	.	.	H	α-helix	trans	-70.7	-41	175.3	-165.7	177.6	71.9	100.7	2.2	111.7	S100 E101 R108	S100-R104 WeakPolarHBondContact O-CB 3.5Å; S100-R104 PolarHBondContact O-N 2.9Å; E101-R104 VanDerWaalsContact CD-NE 3.27Å; E101-R104 CarbonylContact O-C 3.53Å; E101-R104 PolarHBondContact O-N 3.49Å; E101-R104 VanDerWaalsContact O-N 3.15Å; E101-R104 IonicContact OE1-CZ 3.65Å; E101-R104 VanDerWaalsContact OE1-CZ 3.3Å; E101-R104 IonicContact OE1-NE 3.7Å; E101-R104 PolarHBondContact OE1-NE 2.9Å; E101-R104 IonicContact OE1-NH2 3.75Å; E101-R104 PolarHBondContact OE1-NH2 2.91Å; E101-R104 IonicContact OE2-CZ 2.71Å; E101-R104 VanDerWaalsContact OE2-CZ 3.28Å; E101-R104 IonicContact OE2-NE 3.03Å; E101-R104 PolarHBondContact OE2-NE 3.29Å; E101-R104 IonicContact OE2-NH2 2.64Å; E101-R104 PolarHBondContact OE2-NH2 3.44Å; R104-R108 WeakPolarHBondContact O-CB 3.24Å; R104-R108 PolarHBondContact O-N 3.12Å
105	E	97.3	Very high	97.4	Very high	57 Å²	57	100 Å²	100	27%	0.266	47%	0.468	S	S	.	.	H	α-helix	trans	-67.6	-49	178.5	-177.7	62	-158.1	0	0	111.6	E101 E102 R108 R109	E101-E105 WeakPolarHBondContact O-CB 3.43Å; E101-E105 PolarHBondContact O-N 3.07Å; E102-E105 PolarHBondContact O-N 3.08Å; E105-R108 PolarHBondContact O-N 3.26Å; E105-R108 IonicContact OE1-NH1 3.57Å; E105-R108 IonicContact OE2-CZ 3.18Å; E105-R108 IonicContact OE2-NH1 2.89Å; E105-R108 PolarHBondContact OE2-NH1 3.34Å; E105-R108 IonicContact OE2-NH2 2.75Å; E105-R108 PolarHBondContact OE2-NH2 2.74Å; E105-R109 VanDerWaalsContact O-CG 3.31Å; E105-R109 WeakPolarHBondContact O-CG 3.5Å; E105-R109 PolarHBondContact O-N 3.38Å; E105-R109 IonicContact OE1-CZ 2.7Å; E105-R109 IonicContact OE1-NE 3.26Å; E105-R109 PolarHBondContact OE1-NE 2.95Å; E105-R109 IonicContact OE1-NH2 2.89Å; E105-R109 PolarHBondContact OE1-NH2 2.87Å
106	T	97.5	Very high	97.3	Very high	62 Å²	62	102.6 Å²	102.6	38%	0.38	48%	0.48	S	S	.	.	H	α-helix	trans	-62	-46.3	176.2	48.9	0	0	0	0	111.6	E102 L103 R108 R109 H110	E102-T106 WeakPolarHBondContact O-CB 3.32Å; E102-T106 VanDerWaalsContact O-CG2 3.31Å; E102-T106 WeakPolarHBondContact O-CG2 3.21Å; E102-T106 PolarHBondContact O-N 3.11Å; E102-T106 PolarHBondContact O-OG1 3.1Å; L103-T106 WeakPolarHBondContact CA-OG1 3.35Å; L103-T106 PolarHBondContact O-OG1 3.39Å; T106-R108 PolarHBondContact O-N 2.98Å; T106-R109 PolarHBondContact O-N 3.25Å; T106-H110 PolarHBondContact O-CD2 3.05Å; T106-H110 PolarHBondContact O-N 3.45Å
107	K	98	Very high	97.2	Very high	128 Å²	128	101.2 Å²	101.2	56%	0.557	48%	0.477	S	S	*	.	H	α-helix	trans	-55.5	-48.6	173.4	-78.3	173.7	-180	176.8	0	112	L103 R109 H110 E111	L103-K107 HydrophobicContact CD1-CD 4.44Å; L103-K107 HydrophobicContact CG-CD 4.28Å; L103-K107 VanDerWaalsContact O-CB 3.27Å; L103-K107 WeakPolarHBondContact O-CB 3.31Å; L103-K107 WeakPolarHBondContact O-CD 3.39Å; L103-K107 WeakPolarHBondContact O-CG 3.5Å; L103-K107 PolarHBondContact O-N 2.93Å; L103-K107 VanDerWaalsContact O-N 3.14Å; K107-R109 PolarHBondContact O-N 2.87Å; K107-H110 PolarHBondContact O-N 2.92Å; K107-E111 WeakPolarHBondContact O-CB 3.27Å; K107-E111 PolarHBondContact O-N 2.77Å
108	R	97.7	Very high	97.1	Very high	86 Å²	86	100.1 Å²	100.1	33%	0.325	47%	0.471	S	S	.	.	H	α-helix	trans	-62.4	-42.2	179	-154.5	-174.2	-35.7	99.1	8.6	112.1	R104 E105 T106 H110 E111 T112	R104-R108 WeakPolarHBondContact O-CB 3.24Å; R104-R108 PolarHBondContact O-N 3.12Å; E105-R108 PolarHBondContact O-N 3.26Å; E105-R108 IonicContact OE1-NH1 3.57Å; E105-R108 IonicContact OE2-CZ 3.18Å; E105-R108 IonicContact OE2-NH1 2.89Å; E105-R108 PolarHBondContact OE2-NH1 3.34Å; E105-R108 IonicContact OE2-NH2 2.75Å; E105-R108 PolarHBondContact OE2-NH2 2.74Å; T106-R108 PolarHBondContact O-N 2.98Å; R108-H110 VanDerWaalsContact C-N 3.33Å; R108-H110 PolarHBondContact O-N 3.03Å; R108-E111 PolarHBondContact O-N 3.43Å; R108-T112 WeakPolarHBondContact O-CB 3.49Å; R108-T112 PolarHBondContact O-N 2.93Å; R108-T112 PolarHBondContact O-OG1 3.36Å
109	R	97.1	Very high	96.9	Very high	153 Å²	153	100.5 Å²	100.5	58%	0.577	47%	0.474	S	S	*	.	H	α-helix	trans	-62	-37.8	174.9	-71.5	174.8	-171	-178.1	6.1	112.6	E105 T106 K107 R113	E105-R109 VanDerWaalsContact O-CG 3.31Å; E105-R109 WeakPolarHBondContact O-CG 3.5Å; E105-R109 PolarHBondContact O-N 3.38Å; E105-R109 IonicContact OE1-CZ 2.7Å; E105-R109 IonicContact OE1-NE 3.26Å; E105-R109 PolarHBondContact OE1-NE 2.95Å; E105-R109 IonicContact OE1-NH2 2.89Å; E105-R109 PolarHBondContact OE1-NH2 2.87Å; T106-R109 PolarHBondContact O-N 3.25Å; K107-R109 PolarHBondContact O-N 2.87Å; R109-R113 VanDerWaalsContact O-CB 3.29Å; R109-R113 WeakPolarHBondContact O-CB 3.35Å; R109-R113 PolarHBondContact O-N 3.11Å; R109-R113 VanDerWaalsContact O-N 3.08Å
110	H	96.9	Very high	96.8	Very high	114 Å²	114	95.1 Å²	95.1	53%	0.528	46%	0.461	S	S	.	.	H	α-helix	trans	-68.5	-43.5	173.8	-79.1	-68.2	0	0	0	112	T106 K107 R108 R113 L114	T106-H110 PolarHBondContact O-CD2 3.05Å; T106-H110 PolarHBondContact O-N 3.45Å; K107-H110 PolarHBondContact O-N 2.92Å; R108-H110 VanDerWaalsContact C-N 3.33Å; R108-H110 PolarHBondContact O-N 3.03Å; H110-R113 PolarHBondContact O-N 3.31Å; H110-L114 VanDerWaalsContact O-CG 3.3Å; H110-L114 WeakPolarHBondContact O-CG 3.24Å; H110-L114 PolarHBondContact O-N 2.82Å
111	E	97.3	Very high	96.7	Very high	128 Å²	128	97.8 Å²	97.8	60%	0.598	47%	0.465	S	S	*	.	H	α-helix	trans	-62.3	-48.8	177.1	-174.5	172.6	-154.5	0	0	111.8	K107 R108 R113 L114 V115	K107-E111 WeakPolarHBondContact O-CB 3.27Å; K107-E111 PolarHBondContact O-N 2.77Å; R108-E111 PolarHBondContact O-N 3.43Å; E111-R113 VanDerWaalsContact C-N 3.35Å; E111-R113 PolarHBondContact O-N 2.83Å; E111-L114 PolarHBondContact O-N 3.35Å; E111-V115 WeakPolarHBondContact O-CG2 3.29Å; E111-V115 PolarHBondContact O-N 3.06Å
112	T	96.8	Very high	96.7	Very high	72 Å²	72	98.2 Å²	98.2	44%	0.442	47%	0.467	S	S	.	.	H	α-helix	trans	-57.6	-45.8	173.4	-55.6	0	0	0	0	111.4	R108 L114 V115 E116	R108-T112 WeakPolarHBondContact O-CB 3.49Å; R108-T112 PolarHBondContact O-N 2.93Å; R108-T112 PolarHBondContact O-OG1 3.36Å; T112-L114 PolarHBondContact O-N 2.94Å; T112-V115 PolarHBondContact O-N 3.14Å; T112-E116 HydrophobicContact CG2-CG 4.4Å; T112-E116 WeakPolarHBondContact O-CB 3.48Å; T112-E116 VanDerWaalsContact O-CG 3.32Å; T112-E116 WeakPolarHBondContact O-CG 3.46Å; T112-E116 PolarHBondContact O-N 2.7Å
113	R	96.5	Very high	96.6	Very high	143 Å²	143	101.1 Å²	101.1	54%	0.54	47%	0.473	S	S	.	.	H	α-helix	trans	-63.4	-38.3	178.1	-174.7	-176.9	-63	172.6	1.3	112.8	R109 H110 E111 E116 I117	R109-R113 VanDerWaalsContact O-CB 3.29Å; R109-R113 WeakPolarHBondContact O-CB 3.35Å; R109-R113 PolarHBondContact O-N 3.11Å; R109-R113 VanDerWaalsContact O-N 3.08Å; H110-R113 PolarHBondContact O-N 3.31Å; E111-R113 VanDerWaalsContact C-N 3.35Å; E111-R113 PolarHBondContact O-N 2.83Å; R113-E116 PolarHBondContact O-N 2.85Å; R113-I117 HydrophobicContact CG-CD1 3.83Å; R113-I117 HydrophobicContact CG-CG1 4.41Å; R113-I117 WeakPolarHBondContact O-CB 3.46Å; R113-I117 WeakPolarHBondContact O-CG1 3.28Å; R113-I117 PolarHBondContact O-N 3.27Å
114	L	96.2	Very high	96.6	Very high	102 Å²	102	101.5 Å²	101.5	53%	0.534	47%	0.473	S	S	.	.	H	α-helix	trans	-64	-46.8	175.2	-73.6	166.9	0	0	0	110.5	H110 E111 T112 E116 I117 D118	H110-L114 VanDerWaalsContact O-CG 3.3Å; H110-L114 WeakPolarHBondContact O-CG 3.24Å; H110-L114 PolarHBondContact O-N 2.82Å; E111-L114 PolarHBondContact O-N 3.35Å; T112-L114 PolarHBondContact O-N 2.94Å; L114-E116 VanDerWaalsContact C-N 3.35Å; L114-E116 PolarHBondContact O-N 2.85Å; L114-I117 PolarHBondContact O-N 2.94Å; L114-D118 WeakPolarHBondContact O-CB 3.31Å; L114-D118 PolarHBondContact O-N 2.93Å
115	V	96.5	Very high	96.5	Very high	82 Å²	82	101.4 Å²	101.4	50%	0.497	48%	0.476	S	S	.	.	H	α-helix	trans	-61.8	-39.9	176.1	172.4	0	0	0	0	111.8	E111 T112 N119	E111-V115 WeakPolarHBondContact O-CG2 3.29Å; E111-V115 PolarHBondContact O-N 3.06Å; T112-V115 PolarHBondContact O-N 3.14Å; V115-N119 VanDerWaalsContact CG1-ND2 3.31Å; V115-N119 WeakPolarHBondContact CG1-ND2 3.23Å; V115-N119 VanDerWaalsContact O-CB 3.25Å; V115-N119 WeakPolarHBondContact O-CB 3.32Å; V115-N119 PolarHBondContact O-N 2.92Å; V115-N119 PolarHBondContact O-ND2 3.4Å
116	E	95.8	Very high	96.5	Very high	126 Å²	126	103.6 Å²	103.6	59%	0.589	49%	0.486	S	S	*	.	H	α-helix	trans	-62.8	-47.2	173.7	-74.8	169.6	166.9	0	0	112	T112 R113 L114 G120	T112-E116 HydrophobicContact CG2-CG 4.4Å; T112-E116 WeakPolarHBondContact O-CB 3.48Å; T112-E116 VanDerWaalsContact O-CG 3.32Å; T112-E116 WeakPolarHBondContact O-CG 3.46Å; T112-E116 PolarHBondContact O-N 2.7Å; R113-E116 PolarHBondContact O-N 2.85Å; L114-E116 VanDerWaalsContact C-N 3.35Å; L114-E116 PolarHBondContact O-N 2.85Å; E116-G120 PolarHBondContact O-N 3.32Å
117	I	95.9	Very high	96.5	Very high	78 Å²	78	103.6 Å²	103.6	40%	0.4	49%	0.489	S	S	.	.	H	α-helix	trans	-63.5	-44.9	179.3	-75.1	170.7	0	0	0	111.1	R113 L114 G120 K121	R113-I117 HydrophobicContact CG-CD1 3.83Å; R113-I117 HydrophobicContact CG-CG1 4.41Å; R113-I117 WeakPolarHBondContact O-CB 3.46Å; R113-I117 WeakPolarHBondContact O-CG1 3.28Å; R113-I117 PolarHBondContact O-N 3.27Å; L114-I117 PolarHBondContact O-N 2.94Å; I117-G120 PolarHBondContact O-N 3.19Å; I117-K121 HydrophobicContact CG2-CD 4.29Å; I117-K121 VanDerWaalsContact CG2-CE 3.4Å; I117-K121 WeakPolarHBondContact O-CG 3.43Å; I117-K121 PolarHBondContact O-N 3.08Å
118	D	95.6	Very high	96.5	Very high	80 Å²	80	104.9 Å²	104.9	43%	0.428	49%	0.49	S	S	.	.	H	α-helix	trans	-75.5	-34.7	-176.6	-68.2	-22.6	0	0	0	111.9	L114 G120 K121 Q122	L114-D118 WeakPolarHBondContact O-CB 3.31Å; L114-D118 PolarHBondContact O-N 2.93Å; D118-G120 VanDerWaalsContact C-N 3.31Å; D118-G120 PolarHBondContact O-N 3.36Å; D118-K121 PolarHBondContact O-N 2.76Å; D118-K121 IonicContact OD1-NZ 3.72Å; D118-K121 PolarHBondContact OD1-NZ 3.07Å; D118-Q122 VanDerWaalsContact O-CB 3.27Å; D118-Q122 WeakPolarHBondContact O-CB 3.39Å; D118-Q122 PolarHBondContact O-N 2.87Å
119	N	95.3	Very high	96.5	Very high	73 Å²	73	104.9 Å²	104.9	39%	0.39	50%	0.496	S	S	.	.	H	α-helix	trans	-62.5	-37.2	165.7	-81.2	-64.6	0	0	0	112.2	V115 R123	V115-N119 VanDerWaalsContact CG1-ND2 3.31Å; V115-N119 WeakPolarHBondContact CG1-ND2 3.23Å; V115-N119 VanDerWaalsContact O-CB 3.25Å; V115-N119 WeakPolarHBondContact O-CB 3.32Å; V115-N119 PolarHBondContact O-N 2.92Å; V115-N119 PolarHBondContact O-ND2 3.4Å; N119-R123 VanDerWaalsContact O-CG 3.28Å; N119-R123 WeakPolarHBondContact O-CG 3.25Å; N119-R123 PolarHBondContact O-N 2.91Å
120	G	95.2	Very high	96.6	Very high	28 Å²	28	100.2 Å²	100.2	29%	0.289	49%	0.49	S	S	.	.	H	α-helix	trans	-61.9	-53.3	174.9	0	0	0	0	0	111.9	E116 I117 D118 Q122 R123 E124	E116-G120 PolarHBondContact O-N 3.32Å; I117-G120 PolarHBondContact O-N 3.19Å; D118-G120 VanDerWaalsContact C-N 3.31Å; D118-G120 PolarHBondContact O-N 3.36Å; G120-Q122 VanDerWaalsContact C-N 3.32Å; G120-Q122 PolarHBondContact O-N 3.15Å; G120-R123 PolarHBondContact O-N 3.32Å; G120-E124 PolarHBondContact O-N 2.76Å
121	K	95.8	Very high	96.6	Very high	117 Å²	117	99.1 Å²	99.1	51%	0.509	49%	0.488	S	S	.	.	H	α-helix	trans	-56.6	-43.8	174.5	-68.8	169.8	-167.7	156.4	0	112.2	I117 D118 E124 F125	I117-K121 HydrophobicContact CG2-CD 4.29Å; I117-K121 VanDerWaalsContact CG2-CE 3.4Å; I117-K121 WeakPolarHBondContact O-CG 3.43Å; I117-K121 PolarHBondContact O-N 3.08Å; D118-K121 PolarHBondContact O-N 2.76Å; D118-K121 IonicContact OD1-NZ 3.72Å; D118-K121 PolarHBondContact OD1-NZ 3.07Å; K121-E124 PolarHBondContact O-N 3.33Å; K121-F125 VanDerWaalsContact O-CB 3.29Å; K121-F125 WeakPolarHBondContact O-CB 3.44Å; K121-F125 PolarHBondContact O-N 2.99Å
122	Q	96.4	Very high	96.6	Very high	97 Å²	97	95.6 Å²	95.6	45%	0.453	48%	0.481	S	S	.	.	H	α-helix	trans	-61.9	-47.3	-179.5	-175.5	64.1	20.7	0	0	110.8	D118 G120 F125 E126	D118-Q122 VanDerWaalsContact O-CB 3.27Å; D118-Q122 WeakPolarHBondContact O-CB 3.39Å; D118-Q122 PolarHBondContact O-N 2.87Å; G120-Q122 VanDerWaalsContact C-N 3.32Å; G120-Q122 PolarHBondContact O-N 3.15Å; Q122-F125 PolarHBondContact O-N 3.04Å; Q122-E126 WeakPolarHBondContact CG-OE1 3.44Å; Q122-E126 PolarHBondContact NE2-OE1 2.87Å; Q122-E126 WeakPolarHBondContact O-CB 3.28Å; Q122-E126 VanDerWaalsContact O-CG 3.3Å; Q122-E126 WeakPolarHBondContact O-CG 3.4Å; Q122-E126 PolarHBondContact O-N 3.04Å
123	R	96.3	Very high	96.6	Very high	171 Å²	171	96 Å²	96	65%	0.645	48%	0.48	S	S	*	.	H	α-helix	trans	-64.9	-40.1	176	-68.4	171.5	-166	165.3	6.3	112.7	N119 G120 F125 S127	N119-R123 VanDerWaalsContact O-CG 3.28Å; N119-R123 WeakPolarHBondContact O-CG 3.25Å; N119-R123 PolarHBondContact O-N 2.91Å; G120-R123 PolarHBondContact O-N 3.32Å; R123-F125 VanDerWaalsContact C-N 3.33Å; R123-S127 WeakPolarHBondContact O-CB 3.29Å; R123-S127 PolarHBondContact O-N 2.92Å
124	E	96.9	Very high	96.7	Very high	101 Å²	101	96 Å²	96	47%	0.472	49%	0.486	S	S	.	.	H	α-helix	trans	-62.4	-40.3	173.9	-81.5	-170.6	-155.5	0	0	112.1	G120 K121 R128	G120-E124 PolarHBondContact O-N 2.76Å; K121-E124 PolarHBondContact O-N 3.33Å; E124-R128 WeakPolarHBondContact O-CB 3.31Å; E124-R128 VanDerWaalsContact O-CG 3.23Å; E124-R128 WeakPolarHBondContact O-CG 3.48Å; E124-R128 PolarHBondContact O-N 3.28Å; E124-R128 IonicContact OE2-CZ 3.5Å; E124-R128 IonicContact OE2-NH1 2.65Å; E124-R128 PolarHBondContact OE2-NH1 3.48Å; E124-R128 IonicContact OE2-NH2 2.71Å; E124-R128 PolarHBondContact OE2-NH2 2.91Å
125	F	96.4	Very high	96.8	Very high	132 Å²	132	96.8 Å²	96.8	58%	0.579	49%	0.487	S	S	*	.	H	α-helix	trans	-69.4	-45.6	177.9	-177	-93.6	0	0	0	111.4	K121 Q122 R123 R128 L129	K121-F125 VanDerWaalsContact O-CB 3.29Å; K121-F125 WeakPolarHBondContact O-CB 3.44Å; K121-F125 PolarHBondContact O-N 2.99Å; Q122-F125 PolarHBondContact O-N 3.04Å; R123-F125 VanDerWaalsContact C-N 3.33Å; F125-R128 PolarHBondContact O-N 3.28Å; F125-L129 HydrophobicContact CE1-CD2 4.05Å; F125-L129 WeakPolarHBondContact O-CB 3.5Å; F125-L129 PolarHBondContact O-N 3.39Å
126	E	97.6	Very high	96.8	Very high	103 Å²	103	96.6 Å²	96.6	48%	0.481	48%	0.483	S	S	.	.	H	α-helix	trans	-61.2	-41.8	175.1	-74.7	171.1	178.9	0	0	112	Q122 A130	Q122-E126 WeakPolarHBondContact CG-OE1 3.44Å; Q122-E126 PolarHBondContact NE2-OE1 2.87Å; Q122-E126 WeakPolarHBondContact O-CB 3.28Å; Q122-E126 VanDerWaalsContact O-CG 3.3Å; Q122-E126 WeakPolarHBondContact O-CG 3.4Å; Q122-E126 PolarHBondContact O-N 3.04Å; E126-A130 VanDerWaalsContact O-CB 3.27Å; E126-A130 WeakPolarHBondContact O-CB 3.38Å; E126-A130 PolarHBondContact O-N 2.9Å
127	S	97.4	Very high	96.9	Very high	62 Å²	62	98.8 Å²	98.8	43%	0.434	49%	0.486	S	S	.	.	H	α-helix	trans	-61.4	-57.1	173.4	-169.5	0	0	0	0	110.9	R123 L129 A130 D131	R123-S127 WeakPolarHBondContact O-CB 3.29Å; R123-S127 PolarHBondContact O-N 2.92Å; S127-L129 PolarHBondContact O-N 3.07Å; S127-A130 CarbonylContact O-C 3.59Å; S127-A130 WeakPolarHBondContact O-CA 3.17Å; S127-A130 WeakPolarHBondContact O-CB 3.37Å; S127-A130 PolarHBondContact O-N 2.8Å; S127-D131 WeakPolarHBondContact O-CB 3.27Å; S127-D131 PolarHBondContact O-N 2.83Å; S127-D131 PolarHBondContact OG-OD2 2.82Å
128	R	97.7	Very high	97	Very high	155 Å²	155	97.6 Å²	97.6	59%	0.585	49%	0.488	S	S	*	.	H	α-helix	trans	-58.3	-34.3	-179.1	-71.4	171.2	-174.8	130.9	10.7	112.6	E124 F125 A132	E124-R128 WeakPolarHBondContact O-CB 3.31Å; E124-R128 VanDerWaalsContact O-CG 3.23Å; E124-R128 WeakPolarHBondContact O-CG 3.48Å; E124-R128 PolarHBondContact O-N 3.28Å; E124-R128 IonicContact OE2-CZ 3.5Å; E124-R128 IonicContact OE2-NH1 2.65Å; E124-R128 PolarHBondContact OE2-NH1 3.48Å; E124-R128 IonicContact OE2-NH2 2.71Å; E124-R128 PolarHBondContact OE2-NH2 2.91Å; F125-R128 PolarHBondContact O-N 3.28Å; R128-A132 VanDerWaalsContact O-CB 3.28Å; R128-A132 WeakPolarHBondContact O-CB 3.44Å; R128-A132 PolarHBondContact O-N 2.77Å
129	L	97.5	Very high	97.1	Very high	85 Å²	85	98 Å²	98	45%	0.445	49%	0.487	S	S	.	.	H	α-helix	trans	-72.2	-40.5	175.4	-178.5	60.5	0	0	0	111.9	F125 S127 L133	F125-L129 HydrophobicContact CE1-CD2 4.05Å; F125-L129 WeakPolarHBondContact O-CB 3.5Å; F125-L129 PolarHBondContact O-N 3.39Å; S127-L129 PolarHBondContact O-N 3.07Å; L129-L133 HydrophobicContact CD1-CD1 4.13Å; L129-L133 HydrophobicContact CD1-CG 4.28Å; L129-L133 HydrophobicContact CG-CD1 4.02Å; L129-L133 VanDerWaalsContact O-CB 3.28Å; L129-L133 WeakPolarHBondContact O-CB 3.44Å; L129-L133 WeakPolarHBondContact O-CD1 3.38Å; L129-L133 WeakPolarHBondContact O-CG 3.47Å; L129-L133 PolarHBondContact O-N 2.99Å
130	A	97.9	Very high	97.2	Very high	55 Å²	55	99.3 Å²	99.3	46%	0.455	49%	0.491	S	S	.	.	H	α-helix	trans	-64.8	-44.9	174.1	0	0	0	0	0	111.6	E126 S127 L133 Q134	E126-A130 VanDerWaalsContact O-CB 3.27Å; E126-A130 WeakPolarHBondContact O-CB 3.38Å; E126-A130 PolarHBondContact O-N 2.9Å; S127-A130 CarbonylContact O-C 3.59Å; S127-A130 WeakPolarHBondContact O-CA 3.17Å; S127-A130 WeakPolarHBondContact O-CB 3.37Å; S127-A130 PolarHBondContact O-N 2.8Å; A130-L133 PolarHBondContact O-N 3.41Å; A130-Q134 WeakPolarHBondContact O-CB 3.37Å; A130-Q134 PolarHBondContact O-N 3.34Å
131	D	97.9	Very high	97.4	Very high	91 Å²	91	104.5 Å²	104.5	49%	0.487	51%	0.508	S	S	.	.	H	α-helix	trans	-58	-50.3	176.1	-63	-40.7	0	0	0	110.6	S127 L133 Q134 E135	S127-D131 WeakPolarHBondContact O-CB 3.27Å; S127-D131 PolarHBondContact O-N 2.83Å; S127-D131 PolarHBondContact OG-OD2 2.82Å; D131-L133 PolarHBondContact O-N 2.74Å; D131-Q134 PolarHBondContact O-N 2.86Å; D131-E135 PolarHBondContact O-N 3Å
132	A	97.6	Very high	97.5	Very high	54 Å²	54	102.7 Å²	102.7	45%	0.446	50%	0.503	S	S	.	.	H	α-helix	trans	-65.5	-35.8	177.7	0	0	0	0	0	113.3	R128 L136	R128-A132 VanDerWaalsContact O-CB 3.28Å; R128-A132 WeakPolarHBondContact O-CB 3.44Å; R128-A132 PolarHBondContact O-N 2.77Å; A132-L136 WeakPolarHBondContact O-CB 3.45Å; A132-L136 PolarHBondContact O-N 3.37Å
133	L	97.4	Very high	97.5	Very high	81 Å²	81	102.3 Å²	102.3	42%	0.424	50%	0.502	S	S	.	.	H	α-helix	trans	-71.3	-31	174.2	-75.8	170.5	0	0	0	112.4	L129 A130 D131 R137	L129-L133 HydrophobicContact CD1-CD1 4.13Å; L129-L133 HydrophobicContact CD1-CG 4.28Å; L129-L133 HydrophobicContact CG-CD1 4.02Å; L129-L133 VanDerWaalsContact O-CB 3.28Å; L129-L133 WeakPolarHBondContact O-CB 3.44Å; L129-L133 WeakPolarHBondContact O-CD1 3.38Å; L129-L133 WeakPolarHBondContact O-CG 3.47Å; L129-L133 PolarHBondContact O-N 2.99Å; A130-L133 PolarHBondContact O-N 3.41Å; D131-L133 PolarHBondContact O-N 2.74Å; L133-R137 VanDerWaalsContact O-CG 3.22Å; L133-R137 WeakPolarHBondContact O-CG 3.35Å; L133-R137 PolarHBondContact O-N 2.93Å; L133-R137 VanDerWaalsContact O-N 3.15Å
134	Q	98	Very high	97.6	Very high	143 Å²	143	98.9 Å²	98.9	67%	0.668	50%	0.499	S	S	*	.	H	α-helix	trans	-72	-42.6	173.3	-179	171.7	-41.8	0	0	111	A130 D131 R137 A138	A130-Q134 WeakPolarHBondContact O-CB 3.37Å; A130-Q134 PolarHBondContact O-N 3.34Å; D131-Q134 PolarHBondContact O-N 2.86Å; Q134-R137 PolarHBondContact O-N 3.12Å; Q134-A138 PolarHBondContact O-N 2.84Å
135	E	97.7	Very high	97.6	Very high	119 Å²	119	97.2 Å²	97.2	56%	0.556	49%	0.491	S	S	*	.	H	α-helix	trans	-61.6	-47.1	174.3	-162.6	-168.6	154.9	0	0	111.2	D131 R137 A138 Q139	D131-E135 PolarHBondContact O-N 3Å; E135-R137 VanDerWaalsContact C-N 3.28Å; E135-R137 PolarHBondContact O-N 2.77Å; E135-A138 PolarHBondContact O-N 2.97Å; E135-A138 VanDerWaalsContact O-N 3.14Å; E135-Q139 WeakPolarHBondContact O-CG 3.42Å; E135-Q139 PolarHBondContact O-N 3.22Å; E135-Q139 PolarHBondContact OE1-NE2 2.88Å
136	L	97.4	Very high	97.7	Very high	78 Å²	78	96 Å²	96	41%	0.408	49%	0.487	S	S	.	.	H	α-helix	trans	-59.7	-37.5	177.3	-175.7	65.2	0	0	0	112.4	A132 H140	A132-L136 WeakPolarHBondContact O-CB 3.45Å; A132-L136 PolarHBondContact O-N 3.37Å; L136-H140 PolarHBondContact O-CD2 2.65Å; L136-H140 VanDerWaalsContact O-CG 3.28Å; L136-H140 PolarHBondContact O-N 2.71Å
137	R	97.6	Very high	97.6	Very high	171 Å²	171	98.9 Å²	98.9	65%	0.645	50%	0.495	S	S	*	.	H	α-helix	trans	-65.1	-47.7	173.1	-75.1	170.3	-171.7	-144.8	4.5	111.7	L133 Q134 E135 Q139 H140 E141	L133-R137 VanDerWaalsContact O-CG 3.22Å; L133-R137 WeakPolarHBondContact O-CG 3.35Å; L133-R137 PolarHBondContact O-N 2.93Å; L133-R137 VanDerWaalsContact O-N 3.15Å; Q134-R137 PolarHBondContact O-N 3.12Å; E135-R137 VanDerWaalsContact C-N 3.28Å; E135-R137 PolarHBondContact O-N 2.77Å; R137-Q139 VanDerWaalsContact C-N 3.31Å; R137-Q139 PolarHBondContact O-N 2.93Å; R137-H140 PolarHBondContact O-N 3.47Å; R137-H140 VanDerWaalsContact O-N 3.12Å; R137-E141 WeakPolarHBondContact O-CB 3.49Å; R137-E141 WeakPolarHBondContact O-CG 3.4Å; R137-E141 PolarHBondContact O-N 3.4Å
138	A	97.8	Very high	97.7	Very high	54 Å²	54	100 Å²	100	45%	0.446	49%	0.492	S	S	.	.	H	α-helix	trans	-60.9	-39.8	177.8	0	0	0	0	0	112	Q134 E135 E141 D142	Q134-A138 PolarHBondContact O-N 2.84Å; E135-A138 PolarHBondContact O-N 2.97Å; E135-A138 VanDerWaalsContact O-N 3.14Å; A138-E141 PolarHBondContact O-N 3.5Å; A138-D142 WeakPolarHBondContact O-CB 3.38Å; A138-D142 PolarHBondContact O-N 3.47Å
139	Q	98.1	Very high	97.7	Very high	88 Å²	88	97.4 Å²	97.4	41%	0.411	49%	0.485	S	S	.	.	H	α-helix	trans	-63.3	-40.6	173.3	-69.6	177.7	14.6	0	0	112.2	E135 R137 Q143	E135-Q139 WeakPolarHBondContact O-CG 3.42Å; E135-Q139 PolarHBondContact O-N 3.22Å; E135-Q139 PolarHBondContact OE1-NE2 2.88Å; R137-Q139 VanDerWaalsContact C-N 3.31Å; R137-Q139 PolarHBondContact O-N 2.93Å; Q139-Q143 WeakPolarHBondContact O-CB 3.33Å; Q139-Q143 VanDerWaalsContact O-CG 3.22Å; Q139-Q143 WeakPolarHBondContact O-CG 3.28Å; Q139-Q143 PolarHBondContact O-N 3.23Å
140	H	97.7	Very high	97.7	Very high	101 Å²	101	98 Å²	98	47%	0.468	49%	0.486	S	S	.	.	H	α-helix	trans	-69.3	-39.5	175.4	-72.6	-175.9	0	0	0	112.6	L136 R137 Q143 V144	L136-H140 PolarHBondContact O-CD2 2.65Å; L136-H140 VanDerWaalsContact O-CG 3.28Å; L136-H140 PolarHBondContact O-N 2.71Å; R137-H140 PolarHBondContact O-N 3.47Å; R137-H140 VanDerWaalsContact O-N 3.12Å; H140-Q143 PolarHBondContact O-N 2.72Å; H140-V144 WeakPolarHBondContact O-CG2 3.41Å; H140-V144 PolarHBondContact O-N 2.82Å
141	E	97.8	Very high	97.7	Very high	137 Å²	137	100.1 Å²	100.1	64%	0.64	49%	0.489	S	S	*	.	H	α-helix	trans	-65.1	-43.2	176.8	-74.5	172.8	-169.9	0	0	111.4	R137 A138 V144 E145	R137-E141 WeakPolarHBondContact O-CB 3.49Å; R137-E141 WeakPolarHBondContact O-CG 3.4Å; R137-E141 PolarHBondContact O-N 3.4Å; A138-E141 PolarHBondContact O-N 3.5Å; E141-V144 PolarHBondContact O-N 2.85Å; E141-E145 WeakPolarHBondContact O-CB 3.44Å; E141-E145 PolarHBondContact O-N 2.88Å
142	D	98	Very high	97.7	Very high	78 Å²	78	100.7 Å²	100.7	42%	0.417	49%	0.489	S	S	.	.	H	α-helix	trans	-66.2	-40.8	174.1	-173.6	59.4	0	0	0	112	A138 V144 E145 Q146	A138-D142 WeakPolarHBondContact O-CB 3.38Å; A138-D142 PolarHBondContact O-N 3.47Å; D142-V144 VanDerWaalsContact C-N 3.34Å; D142-V144 PolarHBondContact O-N 3.48Å; D142-E145 PolarHBondContact O-N 2.89Å; D142-Q146 WeakPolarHBondContact O-CB 3.38Å; D142-Q146 VanDerWaalsContact O-CG 3.29Å; D142-Q146 WeakPolarHBondContact O-CG 3.31Å; D142-Q146 PolarHBondContact O-N 2.74Å; D142-Q146 PolarHBondContact OD2-NE2 2.76Å
143	Q	97.3	Very high	97.7	Very high	90 Å²	90	103.7 Å²	103.7	42%	0.421	49%	0.491	S	S	.	.	H	α-helix	trans	-58.6	-43	172.9	-77	172.1	39.6	0	0	112.4	Q139 H140 Q146 Y147	Q139-Q143 WeakPolarHBondContact O-CB 3.33Å; Q139-Q143 VanDerWaalsContact O-CG 3.22Å; Q139-Q143 WeakPolarHBondContact O-CG 3.28Å; Q139-Q143 PolarHBondContact O-N 3.23Å; H140-Q143 PolarHBondContact O-N 2.72Å; Q143-Q146 PolarHBondContact O-N 3.47Å; Q143-Y147 WeakPolarHBondContact O-CD2 3.45Å; Q143-Y147 PolarHBondContact O-N 3.34Å
144	V	97.6	Very high	97.7	Very high	99 Å²	99	102.6 Å²	102.6	60%	0.6	49%	0.488	S	S	*	.	H	α-helix	trans	-65.1	-42.5	176.7	168.3	0	0	0	0	111.1	H140 E141 D142 Y147 K148	H140-V144 WeakPolarHBondContact O-CG2 3.41Å; H140-V144 PolarHBondContact O-N 2.82Å; E141-V144 PolarHBondContact O-N 2.85Å; D142-V144 VanDerWaalsContact C-N 3.34Å; D142-V144 PolarHBondContact O-N 3.48Å; V144-Y147 PolarHBondContact O-N 2.72Å; V144-K148 WeakPolarHBondContact O-CB 3.44Å; V144-K148 PolarHBondContact O-N 2.85Å
145	E	98	Very high	97.6	Very high	65 Å²	65	103.2 Å²	103.2	30%	0.304	49%	0.486	S	S	.	.	H	α-helix	trans	-70.9	-33.3	178.5	-178.4	61.8	-167.3	0	0	112.3	E141 D142 K148 K149	E141-E145 WeakPolarHBondContact O-CB 3.44Å; E141-E145 PolarHBondContact O-N 2.88Å; D142-E145 PolarHBondContact O-N 2.89Å; E145-K148 VanDerWaalsContact CD-NZ 3.25Å; E145-K148 PolarHBondContact O-N 2.85Å; E145-K148 IonicContact OE1-NZ 3.38Å; E145-K148 PolarHBondContact OE1-NZ 2.8Å; E145-K148 WeakPolarHBondContact OE2-CD 3.23Å; E145-K148 IonicContact OE2-NZ 2.64Å; E145-K148 PolarHBondContact OE2-NZ 3.02Å; E145-K149 HydrophobicContact CG-CD 4.29Å; E145-K149 VanDerWaalsContact CG-NZ 3.35Å; E145-K149 WeakPolarHBondContact O-CB 3.2Å; E145-K149 WeakPolarHBondContact O-CD 3.2Å; E145-K149 VanDerWaalsContact O-CG 3.25Å; E145-K149 WeakPolarHBondContact O-CG 3.25Å; E145-K149 PolarHBondContact O-N 3.42Å; E145-K149 WeakPolarHBondContact OE1-CE 3.2Å; E145-K149 IonicContact OE1-NZ 2.72Å
146	Q	97.6	Very high	97.6	Very high	106 Å²	106	100.3 Å²	100.3	50%	0.495	48%	0.478	S	S	.	.	H	α-helix	trans	-63.5	-49.1	169.4	-75.1	-174.5	33.9	0	0	111.4	D142 Q143 K148 K149 E150	D142-Q146 WeakPolarHBondContact O-CB 3.38Å; D142-Q146 VanDerWaalsContact O-CG 3.29Å; D142-Q146 WeakPolarHBondContact O-CG 3.31Å; D142-Q146 PolarHBondContact O-N 2.74Å; D142-Q146 PolarHBondContact OD2-NE2 2.76Å; Q143-Q146 PolarHBondContact O-N 3.47Å; Q146-K148 VanDerWaalsContact C-N 3.3Å; Q146-K148 PolarHBondContact O-N 2.86Å; Q146-K149 PolarHBondContact O-N 3.24Å; Q146-E150 PolarHBondContact O-N 3.41Å
147	Y	96.7	Very high	97.6	Very high	165 Å²	165	98.9 Å²	98.9	65%	0.647	48%	0.478	S	S	*	.	H	α-helix	trans	-60.7	-39.6	175.7	-76.1	-49.9	0	0	0	111.8	Q143 V144 E150 L151	Q143-Y147 WeakPolarHBondContact O-CD2 3.45Å; Q143-Y147 PolarHBondContact O-N 3.34Å; V144-Y147 PolarHBondContact O-N 2.72Å; Y147-E150 PolarHBondContact O-N 3.5Å; Y147-L151 WeakPolarHBondContact O-CB 3.42Å; Y147-L151 VanDerWaalsContact O-CG 3.27Å; Y147-L151 WeakPolarHBondContact O-CG 3.05Å; Y147-L151 PolarHBondContact O-N 3.39Å
148	K	98.1	Very high	97.6	Very high	86 Å²	86	96.7 Å²	96.7	37%	0.374	47%	0.473	S	S	.	.	H	α-helix	trans	-61.4	-46.7	173.9	171.5	170.1	151.3	-73.5	0	111.8	V144 E145 Q146 E150 L151 E152	V144-K148 WeakPolarHBondContact O-CB 3.44Å; V144-K148 PolarHBondContact O-N 2.85Å; E145-K148 VanDerWaalsContact CD-NZ 3.25Å; E145-K148 PolarHBondContact O-N 2.85Å; E145-K148 IonicContact OE1-NZ 3.38Å; E145-K148 PolarHBondContact OE1-NZ 2.8Å; E145-K148 WeakPolarHBondContact OE2-CD 3.23Å; E145-K148 IonicContact OE2-NZ 2.64Å; E145-K148 PolarHBondContact OE2-NZ 3.02Å; Q146-K148 VanDerWaalsContact C-N 3.3Å; Q146-K148 PolarHBondContact O-N 2.86Å; K148-E150 PolarHBondContact O-N 2.83Å; K148-L151 WeakPolarHBondContact O-CB 3.34Å; K148-L151 PolarHBondContact O-N 3Å; K148-E152 WeakPolarHBondContact CE-OE1 3.47Å; K148-E152 HydrophobicContact CG-CG 4.47Å; K148-E152 VanDerWaalsContact CG-OE1 3.3Å; K148-E152 WeakPolarHBondContact CG-OE1 3.34Å; K148-E152 IonicContact NZ-OE1 3.46Å; K148-E152 WeakPolarHBondContact O-CB 3.17Å; K148-E152 WeakPolarHBondContact O-CG 3.3Å; K148-E152 PolarHBondContact O-N 2.83Å
149	K	98	Very high	97.5	Very high	100 Å²	100	98.3 Å²	98.3	44%	0.435	47%	0.474	S	S	.	.	H	α-helix	trans	-61	-43.8	176.2	-74.6	161.3	-178.9	158.4	0	112.6	E145 Q146 E152 K153	E145-K149 HydrophobicContact CG-CD 4.29Å; E145-K149 VanDerWaalsContact CG-NZ 3.35Å; E145-K149 WeakPolarHBondContact O-CB 3.2Å; E145-K149 WeakPolarHBondContact O-CD 3.2Å; E145-K149 VanDerWaalsContact O-CG 3.25Å; E145-K149 WeakPolarHBondContact O-CG 3.25Å; E145-K149 PolarHBondContact O-N 3.42Å; E145-K149 WeakPolarHBondContact OE1-CE 3.2Å; E145-K149 IonicContact OE1-NZ 2.72Å; Q146-K149 PolarHBondContact O-N 3.24Å; K149-E152 PolarHBondContact O-N 3.4Å; K149-K153 WeakPolarHBondContact O-CB 3.48Å; K149-K153 PolarHBondContact O-N 2.95Å
150	E	97.7	Very high	97.5	Very high	98 Å²	98	97.3 Å²	97.3	46%	0.458	47%	0.471	S	S	.	.	H	α-helix	trans	-70.1	-30.5	176.2	-73.6	-61.1	142.8	0	0	112.7	Q146 Y147 K148 K153 T154	Q146-E150 PolarHBondContact O-N 3.41Å; Y147-E150 PolarHBondContact O-N 3.5Å; K148-E150 PolarHBondContact O-N 2.83Å; E150-K153 IonicContact OE1-NZ 3.34Å; E150-K153 PolarHBondContact OE1-NZ 2.89Å; E150-K153 IonicContact OE2-NZ 3.06Å; E150-K153 PolarHBondContact OE2-NZ 2.94Å; E150-T154 VanDerWaalsContact O-CB 3.24Å; E150-T154 WeakPolarHBondContact O-CB 3.26Å; E150-T154 PolarHBondContact O-N 3.42Å; E150-T154 PolarHBondContact O-OG1 3.07Å
151	L	97	Very high	97.4	Very high	99 Å²	99	97.5 Å²	97.5	52%	0.518	48%	0.475	S	S	.	.	H	α-helix	trans	-66.1	-49.3	168.5	-76.4	169.8	0	0	0	111.5	Y147 K148 K153 T154 Y155	Y147-L151 WeakPolarHBondContact O-CB 3.42Å; Y147-L151 VanDerWaalsContact O-CG 3.27Å; Y147-L151 WeakPolarHBondContact O-CG 3.05Å; Y147-L151 PolarHBondContact O-N 3.39Å; K148-L151 WeakPolarHBondContact O-CB 3.34Å; K148-L151 PolarHBondContact O-N 3Å; L151-K153 VanDerWaalsContact C-N 3.33Å; L151-K153 PolarHBondContact O-N 2.7Å; L151-T154 CarbonylContact O-C 3.11Å; L151-T154 WeakPolarHBondContact O-CA 3.46Å; L151-T154 WeakPolarHBondContact O-CB 3.24Å; L151-T154 PolarHBondContact O-N 2.94Å; L151-Y155 HydrophobicContact CB-CD2 4.48Å; L151-Y155 WeakPolarHBondContact O-CD2 3.24Å; L151-Y155 PolarHBondContact O-N 2.95Å
152	E	97.7	Very high	97.3	Very high	102 Å²	102	93.9 Å²	93.9	48%	0.477	47%	0.469	S	S	.	.	H	α-helix	trans	-58.6	-42.6	177.4	-74.2	168.9	-175.4	0	0	111.8	K148 K149 Y155 S156	K148-E152 WeakPolarHBondContact CE-OE1 3.47Å; K148-E152 HydrophobicContact CG-CG 4.47Å; K148-E152 VanDerWaalsContact CG-OE1 3.3Å; K148-E152 WeakPolarHBondContact CG-OE1 3.34Å; K148-E152 IonicContact NZ-OE1 3.46Å; K148-E152 WeakPolarHBondContact O-CB 3.17Å; K148-E152 WeakPolarHBondContact O-CG 3.3Å; K148-E152 PolarHBondContact O-N 2.83Å; K149-E152 PolarHBondContact O-N 3.4Å; E152-Y155 PolarHBondContact O-N 2.86Å; E152-S156 WeakPolarHBondContact O-CB 3.12Å; E152-S156 PolarHBondContact O-N 3.35Å; E152-S156 PolarHBondContact O-OG 2.97Å
153	K	97.8	Very high	97.3	Very high	117 Å²	117	97.5 Å²	97.5	51%	0.509	48%	0.477	S	S	.	.	H	α-helix	trans	-63.5	-38.4	171.9	179.9	174.2	159.7	-136.7	0	112.7	K149 E150 L151 S156 A157	K149-K153 WeakPolarHBondContact O-CB 3.48Å; K149-K153 PolarHBondContact O-N 2.95Å; E150-K153 IonicContact OE1-NZ 3.34Å; E150-K153 PolarHBondContact OE1-NZ 2.89Å; E150-K153 IonicContact OE2-NZ 3.06Å; E150-K153 PolarHBondContact OE2-NZ 2.94Å; L151-K153 VanDerWaalsContact C-N 3.33Å; L151-K153 PolarHBondContact O-N 2.7Å; K153-S156 WeakPolarHBondContact CA-OG 3.06Å; K153-S156 PolarHBondContact O-OG 2.83Å; K153-S156 VanDerWaalsContact O-OG 3.08Å; K153-A157 VanDerWaalsContact O-CB 3.23Å; K153-A157 WeakPolarHBondContact O-CB 3.19Å; K153-A157 PolarHBondContact O-N 2.89Å
154	T	97.6	Very high	97.3	Very high	58 Å²	58	97 Å²	97	36%	0.356	48%	0.475	S	S	.	.	H	α-helix	trans	-69.9	-37.9	173.8	-63.3	0	0	0	0	112.2	E150 L151 K158	E150-T154 VanDerWaalsContact O-CB 3.24Å; E150-T154 WeakPolarHBondContact O-CB 3.26Å; E150-T154 PolarHBondContact O-N 3.42Å; E150-T154 PolarHBondContact O-OG1 3.07Å; L151-T154 CarbonylContact O-C 3.11Å; L151-T154 WeakPolarHBondContact O-CA 3.46Å; L151-T154 WeakPolarHBondContact O-CB 3.24Å; L151-T154 PolarHBondContact O-N 2.94Å; T154-K158 HydrophobicContact CG2-CD 4.16Å; T154-K158 WeakPolarHBondContact O-CB 3.4Å; T154-K158 VanDerWaalsContact O-CG 3.24Å; T154-K158 WeakPolarHBondContact O-CG 3.34Å; T154-K158 PolarHBondContact O-N 2.89Å
155	Y	96.1	Very high	97.2	Very high	157 Å²	157	96 Å²	96	62%	0.616	47%	0.472	S	S	*	.	H	α-helix	trans	-71.6	-44.5	178.3	-86.5	-70.3	0	0	0	112	L151 E152 K158 L159	L151-Y155 HydrophobicContact CB-CD2 4.48Å; L151-Y155 WeakPolarHBondContact O-CD2 3.24Å; L151-Y155 PolarHBondContact O-N 2.95Å; E152-Y155 PolarHBondContact O-N 2.86Å; Y155-K158 PolarHBondContact O-N 3.33Å; Y155-L159 VanDerWaalsContact O-CB 3.28Å; Y155-L159 WeakPolarHBondContact O-CB 3.46Å; Y155-L159 PolarHBondContact O-N 2.9Å
156	S	97.6	Very high	97.1	Very high	57 Å²	57	95.9 Å²	95.9	40%	0.399	48%	0.482	S	S	.	.	H	α-helix	trans	-60.5	-47.9	172.9	46.2	0	0	0	0	111.4	E152 K153 K158 L159 D160	E152-S156 WeakPolarHBondContact O-CB 3.12Å; E152-S156 PolarHBondContact O-N 3.35Å; E152-S156 PolarHBondContact O-OG 2.97Å; K153-S156 WeakPolarHBondContact CA-OG 3.06Å; K153-S156 PolarHBondContact O-OG 2.83Å; K153-S156 VanDerWaalsContact O-OG 3.08Å; S156-K158 VanDerWaalsContact C-N 3.33Å; S156-K158 PolarHBondContact O-N 2.92Å; S156-L159 PolarHBondContact O-N 2.78Å; S156-L159 VanDerWaalsContact O-N 3.07Å; S156-D160 PolarHBondContact O-N 3.3Å
157	A	97.5	Very high	97	Very high	48 Å²	48	96.4 Å²	96.4	40%	0.397	48%	0.484	S	S	.	.	H	α-helix	trans	-58.3	-40.5	174.2	0	0	0	0	0	113	K153 N161	K153-A157 VanDerWaalsContact O-CB 3.23Å; K153-A157 WeakPolarHBondContact O-CB 3.19Å; K153-A157 PolarHBondContact O-N 2.89Å; A157-N161 WeakPolarHBondContact O-CB 3.48Å; A157-N161 PolarHBondContact O-N 2.71Å; A157-N161 PolarHBondContact O-ND2 3.06Å
158	K	97.5	Very high	96.9	Very high	126 Å²	126	95.9 Å²	95.9	55%	0.548	48%	0.481	S	S	.	.	H	α-helix	trans	-64.7	-40.6	173.6	-77.8	168.8	-178.5	172.4	0	112.3	T154 Y155 S156 A162	T154-K158 HydrophobicContact CG2-CD 4.16Å; T154-K158 WeakPolarHBondContact O-CB 3.4Å; T154-K158 VanDerWaalsContact O-CG 3.24Å; T154-K158 WeakPolarHBondContact O-CG 3.34Å; T154-K158 PolarHBondContact O-N 2.89Å; Y155-K158 PolarHBondContact O-N 3.33Å; S156-K158 VanDerWaalsContact C-N 3.33Å; S156-K158 PolarHBondContact O-N 2.92Å; K158-A162 WeakPolarHBondContact O-CB 3.29Å; K158-A162 PolarHBondContact O-N 3.22Å
159	L	96.3	Very high	96.8	Very high	88 Å²	88	96.5 Å²	96.5	46%	0.461	49%	0.489	S	S	.	.	H	α-helix	trans	-69.1	-41.2	-178.5	-167.4	156.2	0	0	0	111.4	Y155 S156 A162 R163	Y155-L159 VanDerWaalsContact O-CB 3.28Å; Y155-L159 WeakPolarHBondContact O-CB 3.46Å; Y155-L159 PolarHBondContact O-N 2.9Å; S156-L159 PolarHBondContact O-N 2.78Å; S156-L159 VanDerWaalsContact O-N 3.07Å; L159-A162 WeakPolarHBondContact O-CB 3.35Å; L159-A162 PolarHBondContact O-N 3.48Å; L159-R163 HydrophobicContact CD2-CG 4.18Å; L159-R163 WeakPolarHBondContact O-CG 3.43Å; L159-R163 PolarHBondContact O-N 2.88Å
160	D	97.1	Very high	96.7	Very high	67 Å²	67	95.4 Å²	95.4	36%	0.358	49%	0.494	S	S	.	.	H	α-helix	trans	-72.9	-33.8	176.2	-70	-32.4	0	0	0	112.6	S156 A162 R163 Q164	S156-D160 PolarHBondContact O-N 3.3Å; D160-A162 VanDerWaalsContact C-N 3.34Å; D160-R163 PolarHBondContact O-N 2.82Å; D160-R163 WeakPolarHBondContact OD1-CD 3.43Å; D160-R163 IonicContact OD1-CZ 3.79Å; D160-R163 IonicContact OD1-NE 2.81Å; D160-R163 IonicContact OD1-NH1 2.77Å; D160-R163 PolarHBondContact OD1-NH1 2.91Å; D160-Q164 WeakPolarHBondContact O-CG 3.33Å; D160-Q164 PolarHBondContact O-N 2.92Å
161	N	96.6	Very high	96.5	Very high	104 Å²	104	95.5 Å²	95.5	56%	0.556	50%	0.497	S	S	*	.	H	α-helix	trans	-63	-39.9	167.6	-82.4	-66.3	0	0	0	111.8	A157 S165	A157-N161 WeakPolarHBondContact O-CB 3.48Å; A157-N161 PolarHBondContact O-N 2.71Å; A157-N161 PolarHBondContact O-ND2 3.06Å; N161-S165 WeakPolarHBondContact O-CB 3.23Å; N161-S165 PolarHBondContact O-N 3.05Å
162	A	96.2	Very high	96.4	Very high	61 Å²	61	96.6 Å²	96.6	50%	0.504	50%	0.503	S	S	.	.	H	α-helix	trans	-66.3	-41.1	175.2	0	0	0	0	0	112.2	K158 L159 D160 S165 A166	K158-A162 WeakPolarHBondContact O-CB 3.29Å; K158-A162 PolarHBondContact O-N 3.22Å; L159-A162 WeakPolarHBondContact O-CB 3.35Å; L159-A162 PolarHBondContact O-N 3.48Å; D160-A162 VanDerWaalsContact C-N 3.34Å; A162-S165 PolarHBondContact O-N 3.34Å; A162-A166 WeakPolarHBondContact O-CB 3.27Å; A162-A166 PolarHBondContact O-N 2.64Å
163	R	96.8	Very high	96.3	Very high	154 Å²	154	96 Å²	96	58%	0.581	51%	0.506	S	S	*	.	H	α-helix	trans	-57.4	-53.6	171.5	-77.1	170.9	169.5	157.9	-4.9	111.5	L159 D160 S165 A166 E167	L159-R163 HydrophobicContact CD2-CG 4.18Å; L159-R163 WeakPolarHBondContact O-CG 3.43Å; L159-R163 PolarHBondContact O-N 2.88Å; D160-R163 PolarHBondContact O-N 2.82Å; D160-R163 WeakPolarHBondContact OD1-CD 3.43Å; D160-R163 IonicContact OD1-CZ 3.79Å; D160-R163 IonicContact OD1-NE 2.81Å; D160-R163 IonicContact OD1-NH1 2.77Å; D160-R163 PolarHBondContact OD1-NH1 2.91Å; R163-S165 VanDerWaalsContact C-N 3.27Å; R163-S165 PolarHBondContact O-N 2.84Å; R163-A166 PolarHBondContact O-N 2.85Å; R163-A166 VanDerWaalsContact O-N 3.11Å; R163-E167 WeakPolarHBondContact O-CB 3.37Å; R163-E167 PolarHBondContact O-N 2.75Å
164	Q	97.1	Very high	96.2	Very high	80 Å²	80	91.7 Å²	91.7	37%	0.374	50%	0.495	S	S	.	.	H	α-helix	trans	-60.2	-36.2	178	-73.2	-178.7	43.5	0	0	112.4	D160 R168	D160-Q164 WeakPolarHBondContact O-CG 3.33Å; D160-Q164 PolarHBondContact O-N 2.92Å; Q164-R168 WeakPolarHBondContact O-CB 3.36Å; Q164-R168 WeakPolarHBondContact O-CG 3.43Å; Q164-R168 PolarHBondContact O-N 2.86Å
165	S	95.4	Very high	96	Very high	79 Å²	79	91 Å²	91	55%	0.552	50%	0.495	S	S	*	.	H	α-helix	trans	-68.5	-38.4	175.7	-166.1	0	0	0	0	112.2	N161 A162 R163 N169	N161-S165 WeakPolarHBondContact O-CB 3.23Å; N161-S165 PolarHBondContact O-N 3.05Å; A162-S165 PolarHBondContact O-N 3.34Å; R163-S165 VanDerWaalsContact C-N 3.27Å; R163-S165 PolarHBondContact O-N 2.84Å; S165-N169 WeakPolarHBondContact O-CB 3.28Å; S165-N169 PolarHBondContact O-N 3Å
166	A	95.8	Very high	96	Very high	62 Å²	62	86.1 Å²	86.1	51%	0.512	49%	0.487	S	S	.	.	H	α-helix	trans	-69.7	-40.8	175.7	0	0	0	0	0	111.9	A162 R163 N169 S170	A162-A166 WeakPolarHBondContact O-CB 3.27Å; A162-A166 PolarHBondContact O-N 2.64Å; R163-A166 PolarHBondContact O-N 2.85Å; R163-A166 VanDerWaalsContact O-N 3.11Å; A166-N169 PolarHBondContact O-N 3.03Å; A166-S170 WeakPolarHBondContact O-CB 3.48Å; A166-S170 PolarHBondContact O-N 2.78Å
167	E	96.3	Very high	95.9	Very high	116 Å²	116	88.4 Å²	88.4	54%	0.542	49%	0.492	S	S	.	.	H	α-helix	trans	-61.5	-50.2	174.5	-177.3	-177.7	-172.6	0	0	111.4	R163 N169 S170 N171	R163-E167 WeakPolarHBondContact O-CB 3.37Å; R163-E167 PolarHBondContact O-N 2.75Å; E167-N169 VanDerWaalsContact C-N 3.3Å; E167-N169 PolarHBondContact O-N 2.76Å; E167-S170 WeakPolarHBondContact O-CB 3.33Å; E167-S170 PolarHBondContact O-N 2.84Å; E167-S170 VanDerWaalsContact O-N 3.14Å; E167-N171 WeakPolarHBondContact O-CB 3.29Å; E167-N171 PolarHBondContact O-N 2.88Å; E167-N171 PolarHBondContact O-OD1 3.4Å
168	R	95	Very high	95.8	Very high	154 Å²	154	92.1 Å²	92.1	58%	0.581	50%	0.501	S	S	*	.	H	α-helix	trans	-57.9	-42.6	174.4	-71.2	170.7	-158	-177.2	9.1	111.8	Q164 N171 L172	Q164-R168 WeakPolarHBondContact O-CB 3.36Å; Q164-R168 WeakPolarHBondContact O-CG 3.43Å; Q164-R168 PolarHBondContact O-N 2.86Å; R168-N171 PolarHBondContact O-N 2.97Å; R168-L172 WeakPolarHBondContact O-CB 3.13Å; R168-L172 VanDerWaalsContact O-CG 3.27Å; R168-L172 WeakPolarHBondContact O-CG 3.32Å; R168-L172 PolarHBondContact O-N 2.86Å
169	N	95	Very high	95.7	Very high	100 Å²	100	92.3 Å²	92.3	54%	0.535	50%	0.504	S	S	.	.	H	α-helix	trans	-65.5	-40.3	176.4	-171.3	71.7	0	0	0	112.1	S165 A166 E167 N171 L172 V173	S165-N169 WeakPolarHBondContact O-CB 3.28Å; S165-N169 PolarHBondContact O-N 3Å; A166-N169 PolarHBondContact O-N 3.03Å; E167-N169 VanDerWaalsContact C-N 3.3Å; E167-N169 PolarHBondContact O-N 2.76Å; N169-N171 VanDerWaalsContact C-N 3.35Å; N169-L172 PolarHBondContact O-N 3.14Å; N169-V173 WeakPolarHBondContact O-CB 3.47Å; N169-V173 VanDerWaalsContact O-CG2 3.29Å; N169-V173 WeakPolarHBondContact O-CG2 3.44Å; N169-V173 PolarHBondContact O-N 3.12Å
170	S	95.6	Very high	95.6	Very high	76 Å²	76	92.9 Å²	92.9	53%	0.531	51%	0.507	S	S	.	.	H	α-helix	trans	-62.4	-41.4	174.8	-167.6	0	0	0	0	111.7	A166 E167 V173 G174	A166-S170 WeakPolarHBondContact O-CB 3.48Å; A166-S170 PolarHBondContact O-N 2.78Å; E167-S170 WeakPolarHBondContact O-CB 3.33Å; E167-S170 PolarHBondContact O-N 2.84Å; E167-S170 VanDerWaalsContact O-N 3.14Å; S170-V173 PolarHBondContact O-N 3.31Å; S170-G174 PolarHBondContact O-N 3.15Å
171	N	95.4	Very high	95.6	Very high	100 Å²	100	93 Å²	93	54%	0.535	51%	0.505	S	S	.	.	H	α-helix	trans	-70.4	-38.5	179	-64.4	-9.4	0	0	0	111.6	E167 R168 N169 G174 A175	E167-N171 WeakPolarHBondContact O-CB 3.29Å; E167-N171 PolarHBondContact O-N 2.88Å; E167-N171 PolarHBondContact O-OD1 3.4Å; R168-N171 PolarHBondContact O-N 2.97Å; N169-N171 VanDerWaalsContact C-N 3.35Å; N171-G174 PolarHBondContact O-N 3.32Å; N171-A175 WeakPolarHBondContact O-CB 3.37Å; N171-A175 PolarHBondContact O-N 2.85Å
172	L	94.8	Very high	95.6	Very high	122 Å²	122	94 Å²	94	64%	0.639	51%	0.506	S	S	*	.	H	α-helix	trans	-65.1	-41.7	173	-73.2	169	0	0	0	112.1	R168 N169 G174 A176	R168-L172 WeakPolarHBondContact O-CB 3.13Å; R168-L172 VanDerWaalsContact O-CG 3.27Å; R168-L172 WeakPolarHBondContact O-CG 3.32Å; R168-L172 PolarHBondContact O-N 2.86Å; N169-L172 PolarHBondContact O-N 3.14Å; L172-G174 VanDerWaalsContact C-N 3.33Å; L172-A176 VanDerWaalsContact O-CB 3.28Å; L172-A176 WeakPolarHBondContact O-CB 3.46Å; L172-A176 PolarHBondContact O-N 2.86Å
173	V	94.8	Very high	95.5	Very high	89 Å²	89	93.8 Å²	93.8	54%	0.539	50%	0.501	S	S	.	.	H	α-helix	trans	-65.7	-37.3	174	169.2	0	0	0	0	111.2	N169 S170 H177	N169-V173 WeakPolarHBondContact O-CB 3.47Å; N169-V173 VanDerWaalsContact O-CG2 3.29Å; N169-V173 WeakPolarHBondContact O-CG2 3.44Å; N169-V173 PolarHBondContact O-N 3.12Å; S170-V173 PolarHBondContact O-N 3.31Å; V173-H177 VanDerWaalsContact O-CB 3.31Å; V173-H177 WeakPolarHBondContact O-CB 3.41Å; V173-H177 PolarHBondContact O-N 2.93Å
174	G	95	Very high	95.5	Very high	28 Å²	28	93.5 Å²	93.5	29%	0.289	50%	0.5	S	S	.	.	H	α-helix	trans	-60.7	-55.4	173	0	0	0	0	0	112.2	S170 N171 L172 A176 H177 E178	S170-G174 PolarHBondContact O-N 3.15Å; N171-G174 PolarHBondContact O-N 3.32Å; L172-G174 VanDerWaalsContact C-N 3.33Å; G174-A176 PolarHBondContact O-N 3.42Å; G174-H177 WeakPolarHBondContact O-CB 3.41Å; G174-H177 PolarHBondContact O-N 3.01Å; G174-H177 VanDerWaalsContact O-N 3.07Å; G174-E178 PolarHBondContact O-N 3.38Å
175	A	95	Very high	95.4	Very high	43 Å²	43	95.1 Å²	95.1	36%	0.355	51%	0.51	S	S	.	.	H	α-helix	trans	-57.9	-47.7	178.2	0	0	0	0	0	112.3	N171 H177 E178 E179	N171-A175 WeakPolarHBondContact O-CB 3.37Å; N171-A175 PolarHBondContact O-N 2.85Å; A175-H177 PolarHBondContact O-N 2.81Å; A175-E178 PolarHBondContact O-N 3.12Å; A175-E178 VanDerWaalsContact O-N 3.12Å; A175-E179 WeakPolarHBondContact O-CG 3.49Å; A175-E179 PolarHBondContact O-N 3.1Å
176	A	94.4	Very high	95.5	Very high	54 Å²	54	100.2 Å²	100.2	45%	0.446	52%	0.517	S	S	.	.	H	α-helix	trans	-62.9	-30.4	176.5	0	0	0	0	0	112.8	L172 G174 L180	L172-A176 VanDerWaalsContact O-CB 3.28Å; L172-A176 WeakPolarHBondContact O-CB 3.46Å; L172-A176 PolarHBondContact O-N 2.86Å; G174-A176 PolarHBondContact O-N 3.42Å; A176-L180 VanDerWaalsContact O-CB 3.25Å; A176-L180 WeakPolarHBondContact O-CB 3.01Å; A176-L180 PolarHBondContact O-N 2.87Å; A176-L180 VanDerWaalsContact O-N 3.08Å
177	H	95.4	Very high	95.5	Very high	106 Å²	106	102 Å²	102	49%	0.491	52%	0.517	S	S	.	.	H	α-helix	trans	-72.4	-41.7	172.6	-165.5	81	0	0	0	111.8	V173 G174 A175 L180 Q181	V173-H177 VanDerWaalsContact O-CB 3.31Å; V173-H177 WeakPolarHBondContact O-CB 3.41Å; V173-H177 PolarHBondContact O-N 2.93Å; G174-H177 WeakPolarHBondContact O-CB 3.41Å; G174-H177 PolarHBondContact O-N 3.01Å; G174-H177 VanDerWaalsContact O-N 3.07Å; A175-H177 PolarHBondContact O-N 2.81Å; H177-L180 PolarHBondContact O-N 3.19Å; H177-Q181 PolarHBondContact CE1-NE2 2.72Å; H177-Q181 PolarHBondContact NE2-NE2 2.8Å; H177-Q181 VanDerWaalsContact O-CG 3.32Å; H177-Q181 WeakPolarHBondContact O-CG 3.31Å; H177-Q181 PolarHBondContact O-N 2.85Å
178	E	95.6	Very high	95.4	Very high	126 Å²	126	100.8 Å²	100.8	59%	0.589	52%	0.515	S	S	*	.	H	α-helix	trans	-62.5	-45	175.5	-71.8	179.3	-163.7	0	0	111.8	G174 A175 L180 Q181 Q182	G174-E178 PolarHBondContact O-N 3.38Å; A175-E178 PolarHBondContact O-N 3.12Å; A175-E178 VanDerWaalsContact O-N 3.12Å; E178-L180 VanDerWaalsContact C-N 3.32Å; E178-L180 PolarHBondContact O-N 3.44Å; E178-Q181 PolarHBondContact O-N 3.06Å; E178-Q182 WeakPolarHBondContact O-CB 3.25Å; E178-Q182 VanDerWaalsContact O-CG 3.29Å; E178-Q182 WeakPolarHBondContact O-CG 3.38Å; E178-Q182 PolarHBondContact O-N 2.79Å
179	E	95.3	Very high	95.5	Very high	129 Å²	129	96.4 Å²	96.4	60%	0.603	51%	0.507	S	S	*	.	H	α-helix	trans	-59.6	-40	172.7	-72.2	174.4	-172	0	0	112.2	A175 Q182 S183	A175-E179 WeakPolarHBondContact O-CG 3.49Å; A175-E179 PolarHBondContact O-N 3.1Å; E179-Q182 PolarHBondContact O-N 2.9Å; E179-S183 VanDerWaalsContact O-CB 3.31Å; E179-S183 WeakPolarHBondContact O-CB 3.45Å; E179-S183 PolarHBondContact O-N 3.31Å; E179-S183 PolarHBondContact O-OG 2.89Å
180	L	95.5	Very high	95.5	Very high	100 Å²	100	95.4 Å²	95.4	52%	0.524	50%	0.502	S	S	.	.	H	α-helix	trans	-67.5	-37.6	176.2	-172.9	147.7	0	0	0	112.2	A176 H177 E178 S183 R184	A176-L180 VanDerWaalsContact O-CB 3.25Å; A176-L180 WeakPolarHBondContact O-CB 3.01Å; A176-L180 PolarHBondContact O-N 2.87Å; A176-L180 VanDerWaalsContact O-N 3.08Å; H177-L180 PolarHBondContact O-N 3.19Å; E178-L180 VanDerWaalsContact C-N 3.32Å; E178-L180 PolarHBondContact O-N 3.44Å; L180-S183 WeakPolarHBondContact CA-OG 3.34Å; L180-S183 PolarHBondContact O-OG 3.35Å; L180-S183 VanDerWaalsContact O-OG 3.11Å; L180-R184 VanDerWaalsContact O-CB 3.23Å; L180-R184 WeakPolarHBondContact O-CB 3.44Å; L180-R184 PolarHBondContact O-N 2.85Å
181	Q	96.4	Very high	95.6	Very high	69 Å²	69	94.8 Å²	94.8	32%	0.322	50%	0.497	S	S	.	.	H	α-helix	trans	-70.9	-41.5	173.9	-63.3	-66.6	-0.5	0	0	111.7	H177 E178 R184 I185	H177-Q181 PolarHBondContact CE1-NE2 2.72Å; H177-Q181 PolarHBondContact NE2-NE2 2.8Å; H177-Q181 VanDerWaalsContact O-CG 3.32Å; H177-Q181 WeakPolarHBondContact O-CG 3.31Å; H177-Q181 PolarHBondContact O-N 2.85Å; E178-Q181 PolarHBondContact O-N 3.06Å; Q181-R184 PolarHBondContact O-N 3.27Å; Q181-I185 WeakPolarHBondContact O-CD1 3.28Å; Q181-I185 VanDerWaalsContact O-CG1 3.27Å; Q181-I185 WeakPolarHBondContact O-CG1 3.5Å; Q181-I185 PolarHBondContact O-N 3.36Å
182	Q	96.2	Very high	95.6	Very high	125 Å²	125	93 Å²	93	58%	0.584	50%	0.496	S	S	*	.	H	α-helix	trans	-63	-46.7	176.7	-72.5	177.9	38.3	0	0	111.8	E178 E179 R184 I185 R186	E178-Q182 WeakPolarHBondContact O-CB 3.25Å; E178-Q182 VanDerWaalsContact O-CG 3.29Å; E178-Q182 WeakPolarHBondContact O-CG 3.38Å; E178-Q182 PolarHBondContact O-N 2.79Å; E179-Q182 PolarHBondContact O-N 2.9Å; Q182-R184 VanDerWaalsContact C-N 3.35Å; Q182-R184 PolarHBondContact O-N 2.82Å; Q182-I185 PolarHBondContact O-N 3.36Å; Q182-R186 WeakPolarHBondContact O-CB 3.41Å; Q182-R186 PolarHBondContact O-N 2.85Å
183	S	94.5	Very high	95.7	Very high	57 Å²	57	91.8 Å²	91.8	40%	0.399	49%	0.487	S	S	.	.	H	α-helix	trans	-64.8	-37.6	176.6	55	0	0	0	0	112	E179 L180 R186 I187	E179-S183 VanDerWaalsContact O-CB 3.31Å; E179-S183 WeakPolarHBondContact O-CB 3.45Å; E179-S183 PolarHBondContact O-N 3.31Å; E179-S183 PolarHBondContact O-OG 2.89Å; L180-S183 WeakPolarHBondContact CA-OG 3.34Å; L180-S183 PolarHBondContact O-OG 3.35Å; L180-S183 VanDerWaalsContact O-OG 3.11Å; S183-R186 WeakPolarHBondContact O-CB 3.19Å; S183-R186 PolarHBondContact O-N 2.79Å; S183-I187 VanDerWaalsContact O-CG1 3.28Å; S183-I187 WeakPolarHBondContact O-CG1 3.31Å; S183-I187 PolarHBondContact O-N 3.29Å
184	R	96.9	Very high	95.6	Very high	148 Å²	148	92.3 Å²	92.3	56%	0.558	49%	0.487	S	S	*	.	H	α-helix	trans	-60.4	-49.6	170.6	-178	-179	178.4	179.6	4.2	112.5	L180 Q181 Q182 R186 I187 D188	L180-R184 VanDerWaalsContact O-CB 3.23Å; L180-R184 WeakPolarHBondContact O-CB 3.44Å; L180-R184 PolarHBondContact O-N 2.85Å; Q181-R184 PolarHBondContact O-N 3.27Å; Q182-R184 VanDerWaalsContact C-N 3.35Å; Q182-R184 PolarHBondContact O-N 2.82Å; R184-R186 PolarHBondContact O-N 2.81Å; R184-I187 WeakPolarHBondContact O-CB 3.13Å; R184-I187 PolarHBondContact O-N 2.81Å; R184-I187 VanDerWaalsContact O-N 3.08Å; R184-D188 IonicContact NE-OD2 3.14Å; R184-D188 PolarHBondContact O-N 3.29Å
185	I	96.1	Very high	95.7	Very high	115 Å²	115	93 Å²	93	59%	0.59	49%	0.487	S	S	*	.	H	α-helix	trans	-58.6	-39.4	176.7	-69	162.9	0	0	0	110.7	Q181 Q182 D188 S189	Q181-I185 WeakPolarHBondContact O-CD1 3.28Å; Q181-I185 VanDerWaalsContact O-CG1 3.27Å; Q181-I185 WeakPolarHBondContact O-CG1 3.5Å; Q181-I185 PolarHBondContact O-N 3.36Å; Q182-I185 PolarHBondContact O-N 3.36Å; I185-D188 PolarHBondContact O-N 3.22Å; I185-S189 VanDerWaalsContact O-CB 3.31Å; I185-S189 WeakPolarHBondContact O-CB 3.33Å; I185-S189 PolarHBondContact O-N 2.93Å
186	R	96.6	Very high	95.7	Very high	185 Å²	185	96.4 Å²	96.4	70%	0.698	50%	0.495	S	S	*	.	H	α-helix	trans	-64.1	-42.1	174.2	-172.9	176.7	179.3	178.1	-0.6	112.2	Q182 S183 R184 L190	Q182-R186 WeakPolarHBondContact O-CB 3.41Å; Q182-R186 PolarHBondContact O-N 2.85Å; S183-R186 WeakPolarHBondContact O-CB 3.19Å; S183-R186 PolarHBondContact O-N 2.79Å; R184-R186 PolarHBondContact O-N 2.81Å; R186-L190 HydrophobicContact CG-CD1 3.99Å; R186-L190 WeakPolarHBondContact O-CB 3.28Å; R186-L190 VanDerWaalsContact O-CG 3.24Å; R186-L190 WeakPolarHBondContact O-CG 3.22Å; R186-L190 PolarHBondContact O-N 3.04Å
187	I	95.4	Very high	95.7	Very high	100 Å²	100	98.7 Å²	98.7	51%	0.513	50%	0.5	S	S	.	.	H	α-helix	trans	-64.2	-45.4	175.4	-71.7	162.8	0	0	0	111.1	S183 R184 L190 S191	S183-I187 VanDerWaalsContact O-CG1 3.28Å; S183-I187 WeakPolarHBondContact O-CG1 3.31Å; S183-I187 PolarHBondContact O-N 3.29Å; R184-I187 WeakPolarHBondContact O-CB 3.13Å; R184-I187 PolarHBondContact O-N 2.81Å; R184-I187 VanDerWaalsContact O-N 3.08Å; I187-L190 PolarHBondContact O-N 2.79Å; I187-S191 VanDerWaalsContact O-CB 3.24Å; I187-S191 WeakPolarHBondContact O-CB 3.39Å; I187-S191 PolarHBondContact O-N 2.63Å; I187-S191 PolarHBondContact O-OG 2.83Å
188	D	95.6	Very high	95.8	Very high	91 Å²	91	99.7 Å²	99.7	49%	0.487	50%	0.504	S	S	.	.	H	α-helix	trans	-63.9	-42.3	178.9	-71.2	-29	0	0	0	110.9	R184 I185 S191 A192	R184-D188 IonicContact NE-OD2 3.14Å; R184-D188 PolarHBondContact O-N 3.29Å; I185-D188 PolarHBondContact O-N 3.22Å; D188-S191 PolarHBondContact O-N 3.46Å; D188-A192 WeakPolarHBondContact O-CB 3.37Å; D188-A192 PolarHBondContact O-N 3.41Å
189	S	96	Very high	95.8	Very high	61 Å²	61	100.3 Å²	100.3	43%	0.427	51%	0.505	S	S	.	.	H	α-helix	trans	-63.1	-47.2	173.9	-178.7	0	0	0	0	112.9	I185 S191 A192 Q193	I185-S189 VanDerWaalsContact O-CB 3.31Å; I185-S189 WeakPolarHBondContact O-CB 3.33Å; I185-S189 PolarHBondContact O-N 2.93Å; S189-S191 VanDerWaalsContact C-N 3.31Å; S189-S191 PolarHBondContact O-N 2.96Å; S189-A192 PolarHBondContact O-N 3.19Å; S189-Q193 WeakPolarHBondContact O-CG 3.24Å; S189-Q193 PolarHBondContact O-N 3.03Å
190	L	95.2	Very high	95.8	Very high	80 Å²	80	99 Å²	99	42%	0.419	50%	0.499	S	S	.	.	H	α-helix	trans	-65.4	-35.4	177.4	-73.5	170.2	0	0	0	111.6	R186 I187 Q193 L194	R186-L190 HydrophobicContact CG-CD1 3.99Å; R186-L190 WeakPolarHBondContact O-CB 3.28Å; R186-L190 VanDerWaalsContact O-CG 3.24Å; R186-L190 WeakPolarHBondContact O-CG 3.22Å; R186-L190 PolarHBondContact O-N 3.04Å; I187-L190 PolarHBondContact O-N 2.79Å; L190-Q193 PolarHBondContact O-N 2.9Å; L190-L194 WeakPolarHBondContact O-CB 3.31Å; L190-L194 VanDerWaalsContact O-CG 3.32Å; L190-L194 WeakPolarHBondContact O-CG 3.33Å; L190-L194 PolarHBondContact O-N 2.86Å
191	S	96.6	Very high	95.7	Very high	62 Å²	62	99.1 Å²	99.1	43%	0.434	50%	0.5	S	S	.	.	H	α-helix	trans	-67.1	-38.8	175.4	-59.9	0	0	0	0	112	I187 D188 S189 S195	I187-S191 VanDerWaalsContact O-CB 3.24Å; I187-S191 WeakPolarHBondContact O-CB 3.39Å; I187-S191 PolarHBondContact O-N 2.63Å; I187-S191 PolarHBondContact O-OG 2.83Å; D188-S191 PolarHBondContact O-N 3.46Å; S189-S191 VanDerWaalsContact C-N 3.31Å; S189-S191 PolarHBondContact O-N 2.96Å; S191-S195 WeakPolarHBondContact O-CB 3.44Å; S191-S195 PolarHBondContact O-N 2.98Å
192	A	96.1	Very high	95.7	Very high	62 Å²	62	98.5 Å²	98.5	51%	0.512	51%	0.506	S	S	.	.	H	α-helix	trans	-64	-44.6	172.3	0	0	0	0	0	111.9	D188 S189 S195 Q196	D188-A192 WeakPolarHBondContact O-CB 3.37Å; D188-A192 PolarHBondContact O-N 3.41Å; S189-A192 PolarHBondContact O-N 3.19Å; A192-S195 PolarHBondContact O-N 3.37Å; A192-Q196 WeakPolarHBondContact O-CB 3.4Å; A192-Q196 PolarHBondContact O-N 3.16Å
193	Q	96.2	Very high	95.6	Very high	98 Å²	98	95.1 Å²	95.1	46%	0.458	50%	0.5	S	S	.	.	H	α-helix	trans	-62.7	-43.8	175.3	-71.2	174.7	4.3	0	0	112.1	S189 L190 S195 Q196 L197	S189-Q193 WeakPolarHBondContact O-CG 3.24Å; S189-Q193 PolarHBondContact O-N 3.03Å; L190-Q193 PolarHBondContact O-N 2.9Å; Q193-S195 PolarHBondContact O-N 2.81Å; Q193-Q196 WeakPolarHBondContact O-CB 3.26Å; Q193-Q196 PolarHBondContact O-N 2.81Å; Q193-L197 WeakPolarHBondContact O-CB 3.46Å; Q193-L197 WeakPolarHBondContact O-CG 3.37Å; Q193-L197 PolarHBondContact O-N 2.84Å
194	L	94.6	Very high	95.6	Very high	100 Å²	100	99.5 Å²	99.5	52%	0.524	51%	0.512	S	S	.	.	H	α-helix	trans	-61	-43.7	174.2	-77.1	169.1	0	0	0	111.6	L190 Q196 L197 Q198	L190-L194 WeakPolarHBondContact O-CB 3.31Å; L190-L194 VanDerWaalsContact O-CG 3.32Å; L190-L194 WeakPolarHBondContact O-CG 3.33Å; L190-L194 PolarHBondContact O-N 2.86Å; L194-Q196 VanDerWaalsContact C-N 3.32Å; L194-Q196 PolarHBondContact O-N 3.44Å; L194-L197 PolarHBondContact O-N 2.96Å; L194-Q198 WeakPolarHBondContact O-CB 3.4Å; L194-Q198 WeakPolarHBondContact O-CG 3.37Å; L194-Q198 PolarHBondContact O-N 2.99Å
195	S	95.5	Very high	95.5	Very high	42 Å²	42	95.8 Å²	95.8	29%	0.294	50%	0.501	S	S	.	.	H	α-helix	trans	-62.3	-38.6	174.9	-171	0	0	0	0	112.2	S191 A192 Q193 K199	S191-S195 WeakPolarHBondContact O-CB 3.44Å; S191-S195 PolarHBondContact O-N 2.98Å; A192-S195 PolarHBondContact O-N 3.37Å; Q193-S195 PolarHBondContact O-N 2.81Å; S195-K199 WeakPolarHBondContact O-CB 3.34Å; S195-K199 WeakPolarHBondContact O-CD 3.47Å; S195-K199 VanDerWaalsContact O-CG 3.24Å; S195-K199 WeakPolarHBondContact O-CG 3.36Å; S195-K199 PolarHBondContact O-N 2.88Å; S195-K199 PolarHBondContact OG-NZ 2.82Å
196	Q	96.3	Very high	95.5	Very high	114 Å²	114	92.3 Å²	92.3	53%	0.533	49%	0.489	S	S	.	.	H	α-helix	trans	-66.7	-45.4	175.7	-178.4	174.8	-7.2	0	0	111.8	A192 Q193 L194 K199 Q200	A192-Q196 WeakPolarHBondContact O-CB 3.4Å; A192-Q196 PolarHBondContact O-N 3.16Å; Q193-Q196 WeakPolarHBondContact O-CB 3.26Å; Q193-Q196 PolarHBondContact O-N 2.81Å; L194-Q196 VanDerWaalsContact C-N 3.32Å; L194-Q196 PolarHBondContact O-N 3.44Å; Q196-K199 PolarHBondContact O-N 3.05Å; Q196-Q200 WeakPolarHBondContact O-CG 3.48Å; Q196-Q200 PolarHBondContact O-N 3.36Å
197	L	94.7	Very high	95.4	Very high	103 Å²	103	90.2 Å²	90.2	54%	0.539	49%	0.485	S	S	.	.	H	α-helix	trans	-65.1	-39.9	177	-72.4	170.3	0	0	0	111.8	Q193 L194 Q200 L201	Q193-L197 WeakPolarHBondContact O-CB 3.46Å; Q193-L197 WeakPolarHBondContact O-CG 3.37Å; Q193-L197 PolarHBondContact O-N 2.84Å; L194-L197 PolarHBondContact O-N 2.96Å; L197-Q200 PolarHBondContact O-N 2.86Å; L197-L201 WeakPolarHBondContact O-CB 3.18Å; L197-L201 PolarHBondContact O-N 2.81Å
198	Q	96	Very high	95.2	Very high	126 Å²	126	90.3 Å²	90.3	59%	0.589	49%	0.486	S	S	*	.	H	α-helix	trans	-61.2	-43.1	172.9	-75.2	169.3	-10.1	0	0	112	L194 L201 A202	L194-Q198 WeakPolarHBondContact O-CB 3.4Å; L194-Q198 WeakPolarHBondContact O-CG 3.37Å; L194-Q198 PolarHBondContact O-N 2.99Å; Q198-L201 PolarHBondContact O-N 3.41Å; Q198-A202 WeakPolarHBondContact O-CB 3.23Å; Q198-A202 PolarHBondContact O-N 3.41Å
199	K	95.8	Very high	95.1	Very high	139 Å²	139	92.6 Å²	92.6	60%	0.604	49%	0.488	S	S	*	.	H	α-helix	trans	-64.4	-40.2	174.4	-73.2	161.3	-177.6	151.9	0	111.9	S195 Q196 A203	S195-K199 WeakPolarHBondContact O-CB 3.34Å; S195-K199 WeakPolarHBondContact O-CD 3.47Å; S195-K199 VanDerWaalsContact O-CG 3.24Å; S195-K199 WeakPolarHBondContact O-CG 3.36Å; S195-K199 PolarHBondContact O-N 2.88Å; S195-K199 PolarHBondContact OG-NZ 2.82Å; Q196-K199 PolarHBondContact O-N 3.05Å; K199-A203 VanDerWaalsContact O-CB 3.29Å; K199-A203 WeakPolarHBondContact O-CB 3.32Å; K199-A203 PolarHBondContact O-N 3.34Å
200	Q	95.8	Very high	94.9	Very high	101 Å²	101	94.5 Å²	94.5	47%	0.472	49%	0.493	S	S	.	.	H	α-helix	trans	-66.7	-41.7	175.5	-74.5	179.1	-7.2	0	0	112.1	Q196 L197 A203 K204	Q196-Q200 WeakPolarHBondContact O-CG 3.48Å; Q196-Q200 PolarHBondContact O-N 3.36Å; L197-Q200 PolarHBondContact O-N 2.86Å; Q200-A203 PolarHBondContact O-N 3.32Å; Q200-K204 WeakPolarHBondContact O-CB 3.22Å; Q200-K204 WeakPolarHBondContact O-CG 3.28Å; Q200-K204 PolarHBondContact O-N 2.89Å
201	L	94.2	Very high	94.8	Very high	104 Å²	104	96 Å²	96	55%	0.545	50%	0.501	S	S	.	.	H	α-helix	trans	-58.8	-54.5	174.3	-175.8	74.2	0	0	0	110.3	L197 Q198 A203 K204 E205	L197-L201 WeakPolarHBondContact O-CB 3.18Å; L197-L201 PolarHBondContact O-N 2.81Å; Q198-L201 PolarHBondContact O-N 3.41Å; L201-A203 VanDerWaalsContact C-N 3.3Å; L201-A203 PolarHBondContact O-N 2.92Å; L201-K204 CarbonylContact O-C 3.48Å; L201-K204 WeakPolarHBondContact O-CB 3.32Å; L201-K204 PolarHBondContact O-N 2.8Å; L201-E205 WeakPolarHBondContact O-CG 3.42Å; L201-E205 PolarHBondContact O-N 3Å
202	A	94.9	Very high	94.6	Very high	55 Å²	55	99 Å²	99	46%	0.455	51%	0.509	S	S	.	.	H	α-helix	trans	-57.8	-40.6	178.3	0	0	0	0	0	112.6	Q198 A206	Q198-A202 WeakPolarHBondContact O-CB 3.23Å; Q198-A202 PolarHBondContact O-N 3.41Å; A202-A206 WeakPolarHBondContact O-CB 3.48Å; A202-A206 PolarHBondContact O-N 2.96Å
203	A	95.6	Very high	94.5	Very high	54 Å²	54	99.9 Å²	99.9	45%	0.446	50%	0.504	S	S	.	.	H	α-helix	trans	-70.4	-27.2	176	0	0	0	0	0	113.7	K199 Q200 L201 K207	K199-A203 VanDerWaalsContact O-CB 3.29Å; K199-A203 WeakPolarHBondContact O-CB 3.32Å; K199-A203 PolarHBondContact O-N 3.34Å; Q200-A203 PolarHBondContact O-N 3.32Å; L201-A203 VanDerWaalsContact C-N 3.3Å; L201-A203 PolarHBondContact O-N 2.92Å; A203-K207 WeakPolarHBondContact O-CG 3.27Å; A203-K207 PolarHBondContact O-N 3.43Å
204	K	94.1	Very high	94.3	Very high	149 Å²	149	97.2 Å²	97.2	65%	0.648	50%	0.497	S	S	*	.	H	α-helix	trans	-78	-42.6	173.1	-73.4	-79.8	-175.3	166.2	0	111.3	Q200 L201 K207 L208	Q200-K204 WeakPolarHBondContact O-CB 3.22Å; Q200-K204 WeakPolarHBondContact O-CG 3.28Å; Q200-K204 PolarHBondContact O-N 2.89Å; L201-K204 CarbonylContact O-C 3.48Å; L201-K204 WeakPolarHBondContact O-CB 3.32Å; L201-K204 PolarHBondContact O-N 2.8Å; K204-K207 PolarHBondContact O-N 3Å; K204-L208 WeakPolarHBondContact O-CG 3.28Å; K204-L208 PolarHBondContact O-N 2.92Å
205	E	95.1	Very high	94.2	Very high	70 Å²	70	95.8 Å²	95.8	33%	0.327	49%	0.489	S	S	.	.	H	α-helix	trans	-62.7	-41	173.1	-68	-177.5	-162.8	0	0	112.3	L201 L208 R209	L201-E205 WeakPolarHBondContact O-CG 3.42Å; L201-E205 PolarHBondContact O-N 3Å; E205-L208 PolarHBondContact O-N 2.91Å; E205-R209 VanDerWaalsContact CB-NH1 3.32Å; E205-R209 WeakPolarHBondContact O-CG 3.42Å; E205-R209 PolarHBondContact O-N 3.24Å; E205-R209 IonicContact OE2-CZ 3.28Å; E205-R209 IonicContact OE2-NH1 2.62Å; E205-R209 PolarHBondContact OE2-NH1 2.83Å; E205-R209 IonicContact OE2-NH2 2.67Å; E205-R209 PolarHBondContact OE2-NH2 3.18Å
206	A	94.7	Very high	94.1	Very high	42 Å²	42	96 Å²	96	35%	0.347	49%	0.493	S	S	.	.	H	α-helix	trans	-57.8	-49.9	174.3	0	0	0	0	0	110.7	A202 L208 R209 D210	A202-A206 WeakPolarHBondContact O-CB 3.48Å; A202-A206 PolarHBondContact O-N 2.96Å; A206-L208 VanDerWaalsContact C-N 3.31Å; A206-L208 PolarHBondContact O-N 2.97Å; A206-R209 PolarHBondContact O-N 2.87Å; A206-R209 VanDerWaalsContact O-N 3.17Å; A206-D210 VanDerWaalsContact O-CG 3.25Å; A206-D210 PolarHBondContact O-N 2.87Å
207	K	94	Very high	93.9	Very high	141 Å²	141	97.6 Å²	97.6	61%	0.613	50%	0.495	S	S	*	.	H	α-helix	trans	-63.3	-32.6	176.1	-73.4	-179.4	178.1	-169.1	0	113.8	A203 K204 L211	A203-K207 WeakPolarHBondContact O-CG 3.27Å; A203-K207 PolarHBondContact O-N 3.43Å; K204-K207 PolarHBondContact O-N 3Å; K207-L211 WeakPolarHBondContact O-CB 3.28Å; K207-L211 WeakPolarHBondContact O-CD1 3.38Å; K207-L211 WeakPolarHBondContact O-CG 3.38Å; K207-L211 PolarHBondContact O-N 3.04Å
208	L	92	Very high	93.7	Very high	103 Å²	103	98.4 Å²	98.4	54%	0.539	50%	0.496	S	S	.	.	H	α-helix	trans	-65.7	-48.2	172.6	-77.3	168.7	0	0	0	110.5	K204 E205 A206 D210 L211 E212	K204-L208 WeakPolarHBondContact O-CG 3.28Å; K204-L208 PolarHBondContact O-N 2.92Å; E205-L208 PolarHBondContact O-N 2.91Å; A206-L208 VanDerWaalsContact C-N 3.31Å; A206-L208 PolarHBondContact O-N 2.97Å; L208-D210 PolarHBondContact O-N 2.9Å; L208-L211 PolarHBondContact O-N 2.87Å; L208-E212 WeakPolarHBondContact O-CB 3.19Å; L208-E212 VanDerWaalsContact O-CG 3.3Å; L208-E212 WeakPolarHBondContact O-CG 3.47Å; L208-E212 PolarHBondContact O-N 3.09Å
209	R	93.2	Very high	93.6	Very high	139 Å²	139	99.3 Å²	99.3	53%	0.525	49%	0.494	S	S	.	.	H	α-helix	trans	-58.4	-47.5	175.1	-68	172.9	-171.5	110.5	8.9	111.4	E205 A206 L211 E212 D213	E205-R209 VanDerWaalsContact CB-NH1 3.32Å; E205-R209 WeakPolarHBondContact O-CG 3.42Å; E205-R209 PolarHBondContact O-N 3.24Å; E205-R209 IonicContact OE2-CZ 3.28Å; E205-R209 IonicContact OE2-NH1 2.62Å; E205-R209 PolarHBondContact OE2-NH1 2.83Å; E205-R209 IonicContact OE2-NH2 2.67Å; E205-R209 PolarHBondContact OE2-NH2 3.18Å; A206-R209 PolarHBondContact O-N 2.87Å; A206-R209 VanDerWaalsContact O-N 3.17Å; R209-L211 VanDerWaalsContact C-N 3.29Å; R209-L211 PolarHBondContact O-N 3.14Å; R209-E212 PolarHBondContact O-N 2.81Å; R209-D213 VanDerWaalsContact O-CB 3.28Å; R209-D213 WeakPolarHBondContact O-CB 3.34Å; R209-D213 PolarHBondContact O-N 3.25Å
210	D	92.8	Very high	93.4	Very high	101 Å²	101	95.7 Å²	95.7	54%	0.54	48%	0.481	S	S	.	.	H	α-helix	trans	-57.1	-41.1	176.6	-66.9	-34.6	0	0	0	112.2	A206 L208 S214	A206-D210 VanDerWaalsContact O-CG 3.25Å; A206-D210 PolarHBondContact O-N 2.87Å; L208-D210 PolarHBondContact O-N 2.9Å; D210-S214 WeakPolarHBondContact O-CB 3.38Å; D210-S214 PolarHBondContact O-N 3.41Å; D210-S214 PolarHBondContact O-OG 2.77Å
211	L	92	Very high	93.3	Very high	111 Å²	111	94.5 Å²	94.5	58%	0.581	48%	0.481	S	S	*	.	H	α-helix	trans	-72.4	-42.1	178.3	-75.2	169.3	0	0	0	112.2	K207 L208 R209 D213 S214 L215	K207-L211 WeakPolarHBondContact O-CB 3.28Å; K207-L211 WeakPolarHBondContact O-CD1 3.38Å; K207-L211 WeakPolarHBondContact O-CG 3.38Å; K207-L211 PolarHBondContact O-N 3.04Å; L208-L211 PolarHBondContact O-N 2.87Å; R209-L211 VanDerWaalsContact C-N 3.29Å; R209-L211 PolarHBondContact O-N 3.14Å; L211-D213 VanDerWaalsContact C-N 3.33Å; L211-S214 WeakPolarHBondContact CA-OG 3.34Å; L211-S214 PolarHBondContact O-N 3.05Å; L211-S214 PolarHBondContact O-OG 3.49Å; L211-L215 WeakPolarHBondContact O-CB 3.46Å; L211-L215 PolarHBondContact O-N 2.94Å
212	E	93.6	Very high	93.1	Very high	126 Å²	126	92.6 Å²	92.6	59%	0.589	48%	0.476	S	S	*	.	H	α-helix	trans	-60.1	-43.9	173.6	-72.8	172.4	154.2	0	0	111.1	L208 R209 L215 A216	L208-E212 WeakPolarHBondContact O-CB 3.19Å; L208-E212 VanDerWaalsContact O-CG 3.3Å; L208-E212 WeakPolarHBondContact O-CG 3.47Å; L208-E212 PolarHBondContact O-N 3.09Å; R209-E212 PolarHBondContact O-N 2.81Å; E212-L215 PolarHBondContact O-N 3Å; E212-A216 WeakPolarHBondContact O-CB 3.2Å; E212-A216 PolarHBondContact O-N 2.99Å
213	D	93.5	Very high	93	Very high	79 Å²	79	97.7 Å²	97.7	42%	0.422	48%	0.483	S	S	.	.	H	α-helix	trans	-62.2	-44.8	173.7	-112.1	19.1	0	0	0	112.2	R209 L211 A216 R217	R209-D213 VanDerWaalsContact O-CB 3.28Å; R209-D213 WeakPolarHBondContact O-CB 3.34Å; R209-D213 PolarHBondContact O-N 3.25Å; L211-D213 VanDerWaalsContact C-N 3.33Å; D213-A216 PolarHBondContact O-N 3.39Å; D213-R217 WeakPolarHBondContact O-CD 3.19Å; D213-R217 VanDerWaalsContact O-CG 3.24Å; D213-R217 WeakPolarHBondContact O-CG 3.38Å; D213-R217 PolarHBondContact O-N 3.3Å; D213-R217 IonicContact OD2-CZ 3.68Å; D213-R217 IonicContact OD2-NH1 2.75Å; D213-R217 PolarHBondContact OD2-NH1 3.03Å; D213-R217 IonicContact OD2-NH2 2.77Å; D213-R217 PolarHBondContact OD2-NH2 2.71Å
214	S	92.4	Very high	92.7	Very high	43 Å²	43	103.2 Å²	103.2	30%	0.301	49%	0.492	S	S	.	.	H	α-helix	trans	-64.9	-42.9	177.5	73.5	0	0	0	0	111.6	D210 L211 A216 R217 E218	D210-S214 WeakPolarHBondContact O-CB 3.38Å; D210-S214 PolarHBondContact O-N 3.41Å; D210-S214 PolarHBondContact O-OG 2.77Å; L211-S214 WeakPolarHBondContact CA-OG 3.34Å; L211-S214 PolarHBondContact O-N 3.05Å; L211-S214 PolarHBondContact O-OG 3.49Å; S214-A216 VanDerWaalsContact C-N 3.34Å; S214-A216 PolarHBondContact O-N 2.72Å; S214-R217 WeakPolarHBondContact O-CB 3.48Å; S214-R217 PolarHBondContact O-N 3.1Å; S214-E218 WeakPolarHBondContact O-CG 3.32Å; S214-E218 PolarHBondContact O-N 3.34Å
215	L	91.7	Very high	92.7	Very high	69 Å²	69	100.6 Å²	100.6	36%	0.361	49%	0.485	S	S	.	.	H	α-helix	trans	-68.4	-33.1	178	-177.7	61.5	0	0	0	111.8	L211 E212 R219	L211-L215 WeakPolarHBondContact O-CB 3.46Å; L211-L215 PolarHBondContact O-N 2.94Å; E212-L215 PolarHBondContact O-N 3Å; L215-R219 VanDerWaalsContact O-CB 3.31Å; L215-R219 WeakPolarHBondContact O-CB 3.23Å; L215-R219 WeakPolarHBondContact O-CD 3.49Å; L215-R219 WeakPolarHBondContact O-CG 3.48Å; L215-R219 PolarHBondContact O-N 2.9Å
216	A	93.1	Very high	92.4	Very high	46 Å²	46	102.5 Å²	102.5	38%	0.38	50%	0.497	S	S	.	.	H	α-helix	trans	-65.3	-45.7	170	0	0	0	0	0	111.3	E212 D213 S214 R219 D220	E212-A216 WeakPolarHBondContact O-CB 3.2Å; E212-A216 PolarHBondContact O-N 2.99Å; D213-A216 PolarHBondContact O-N 3.39Å; S214-A216 VanDerWaalsContact C-N 3.34Å; S214-A216 PolarHBondContact O-N 2.72Å; A216-R219 PolarHBondContact O-N 3.08Å; A216-D220 WeakPolarHBondContact O-CB 3.35Å; A216-D220 PolarHBondContact O-N 3.32Å
217	R	92.4	Very high	92.3	Very high	149 Å²	149	103 Å²	103	56%	0.562	50%	0.502	S	S	*	.	H	α-helix	trans	-61.2	-44.6	175.9	-70.1	164.4	-172.4	130.8	14.4	112	D213 S214 D220 T221	D213-R217 WeakPolarHBondContact O-CD 3.19Å; D213-R217 VanDerWaalsContact O-CG 3.24Å; D213-R217 WeakPolarHBondContact O-CG 3.38Å; D213-R217 PolarHBondContact O-N 3.3Å; D213-R217 IonicContact OD2-CZ 3.68Å; D213-R217 IonicContact OD2-NH1 2.75Å; D213-R217 PolarHBondContact OD2-NH1 3.03Å; D213-R217 IonicContact OD2-NH2 2.77Å; D213-R217 PolarHBondContact OD2-NH2 2.71Å; S214-R217 WeakPolarHBondContact O-CB 3.48Å; S214-R217 PolarHBondContact O-N 3.1Å; R217-D220 PolarHBondContact O-N 3.49Å; R217-T221 WeakPolarHBondContact O-CG2 3.17Å; R217-T221 PolarHBondContact O-N 3.31Å; R217-T221 PolarHBondContact O-OG1 3.4Å
218	E	91.1	Very high	92.2	Very high	120 Å²	120	101.5 Å²	101.5	56%	0.561	50%	0.496	S	S	*	.	H	α-helix	trans	-63.7	-41	175.6	-75.2	-175.6	165.6	0	0	112.7	S214 T221 S222	S214-E218 WeakPolarHBondContact O-CG 3.32Å; S214-E218 PolarHBondContact O-N 3.34Å; E218-T221 WeakPolarHBondContact CA-OG1 3.48Å; E218-T221 PolarHBondContact O-OG1 2.76Å; E218-T221 VanDerWaalsContact O-OG1 3.1Å; E218-S222 WeakPolarHBondContact O-CB 3.42Å; E218-S222 PolarHBondContact O-N 2.92Å; E218-S222 PolarHBondContact O-OG 3.36Å
219	R	93.2	Very high	92	Very high	145 Å²	145	101 Å²	101	55%	0.547	49%	0.49	S	S	.	.	H	α-helix	trans	-64.1	-42.2	175.2	-76.8	166.2	174.7	162.5	-2.3	111.6	L215 A216 R223	L215-R219 VanDerWaalsContact O-CB 3.31Å; L215-R219 WeakPolarHBondContact O-CB 3.23Å; L215-R219 WeakPolarHBondContact O-CD 3.49Å; L215-R219 WeakPolarHBondContact O-CG 3.48Å; L215-R219 PolarHBondContact O-N 2.9Å; A216-R219 PolarHBondContact O-N 3.08Å; R219-R223 WeakPolarHBondContact O-CB 3.39Å; R219-R223 WeakPolarHBondContact O-CD 3.28Å; R219-R223 WeakPolarHBondContact O-CG 3.37Å; R219-R223 PolarHBondContact O-N 2.86Å
220	D	92.7	Very high	91.8	Very high	62 Å²	62	100.9 Å²	100.9	33%	0.332	50%	0.495	S	S	.	.	H	α-helix	trans	-75.8	-34	-179.4	-82.3	-0	0	0	0	113.5	A216 R217 R223 R224	A216-D220 WeakPolarHBondContact O-CB 3.35Å; A216-D220 PolarHBondContact O-N 3.32Å; R217-D220 PolarHBondContact O-N 3.49Å; D220-R223 WeakPolarHBondContact OD1-CD 3.5Å; D220-R223 IonicContact OD1-CZ 3.13Å; D220-R223 IonicContact OD1-NH1 2.73Å; D220-R223 PolarHBondContact OD1-NH1 2.88Å; D220-R224 WeakPolarHBondContact O-CG 3.34Å; D220-R224 PolarHBondContact O-N 3.4Å
221	T	92.6	Very high	91.7	Very high	77 Å²	77	104 Å²	104	47%	0.472	50%	0.5	S	S	.	.	H	α-helix	trans	-67.4	-41.4	169.4	52.1	0	0	0	0	111.2	R217 E218 R223 R224 L225	R217-T221 WeakPolarHBondContact O-CG2 3.17Å; R217-T221 PolarHBondContact O-N 3.31Å; R217-T221 PolarHBondContact O-OG1 3.4Å; E218-T221 WeakPolarHBondContact CA-OG1 3.48Å; E218-T221 PolarHBondContact O-OG1 2.76Å; E218-T221 VanDerWaalsContact O-OG1 3.1Å; T221-R223 PolarHBondContact O-N 2.86Å; T221-R224 PolarHBondContact O-N 3.4Å; T221-L225 WeakPolarHBondContact O-CB 3.43Å; T221-L225 PolarHBondContact O-N 3.3Å
222	S	89.4	Confident	91.6	Very high	63 Å²	63	102.7 Å²	102.7	44%	0.441	49%	0.49	S	S	.	.	H	α-helix	trans	-61	-42.7	174.1	-60	0	0	0	0	112.1	E218 L225 L226	E218-S222 WeakPolarHBondContact O-CB 3.42Å; E218-S222 PolarHBondContact O-N 2.92Å; E218-S222 PolarHBondContact O-OG 3.36Å; S222-L225 PolarHBondContact O-N 3.26Å; S222-L226 WeakPolarHBondContact O-CB 3.28Å; S222-L226 VanDerWaalsContact O-CG 3.31Å; S222-L226 WeakPolarHBondContact O-CG 3.47Å; S222-L226 PolarHBondContact O-N 2.84Å
223	R	93	Very high	91.2	Very high	163 Å²	163	102 Å²	102	62%	0.615	49%	0.489	S	S	*	.	H	α-helix	trans	-61.1	-44.2	173.8	-77.9	162.5	168.7	171.8	-7.1	112.4	R219 D220 T221 L226 A227	R219-R223 WeakPolarHBondContact O-CB 3.39Å; R219-R223 WeakPolarHBondContact O-CD 3.28Å; R219-R223 WeakPolarHBondContact O-CG 3.37Å; R219-R223 PolarHBondContact O-N 2.86Å; D220-R223 WeakPolarHBondContact OD1-CD 3.5Å; D220-R223 IonicContact OD1-CZ 3.13Å; D220-R223 IonicContact OD1-NH1 2.73Å; D220-R223 PolarHBondContact OD1-NH1 2.88Å; T221-R223 PolarHBondContact O-N 2.86Å; R223-L226 PolarHBondContact O-N 3.23Å; R223-A227 WeakPolarHBondContact O-CB 3.3Å; R223-A227 PolarHBondContact O-N 3.05Å
224	R	91.1	Very high	91	Very high	169 Å²	169	101 Å²	101	64%	0.638	49%	0.491	S	S	*	.	H	α-helix	trans	-63.6	-45.4	177.5	-71.3	167.7	-157.2	170.7	8.8	111.3	D220 T221 A227 E228	D220-R224 WeakPolarHBondContact O-CG 3.34Å; D220-R224 PolarHBondContact O-N 3.4Å; T221-R224 PolarHBondContact O-N 3.4Å; R224-A227 PolarHBondContact O-N 2.89Å; R224-E228 WeakPolarHBondContact O-CB 3.45Å; R224-E228 PolarHBondContact O-N 2.98Å
225	L	92.9	Very high	90.8	Very high	95 Å²	95	101.9 Å²	101.9	50%	0.497	49%	0.491	S	S	.	.	H	α-helix	trans	-64	-40.2	177.1	-177.9	63.3	0	0	0	111.8	T221 S222 E228 K229	T221-L225 WeakPolarHBondContact O-CB 3.43Å; T221-L225 PolarHBondContact O-N 3.3Å; S222-L225 PolarHBondContact O-N 3.26Å; L225-E228 PolarHBondContact O-N 3.48Å; L225-K229 HydrophobicContact CD1-CG 4.43Å; L225-K229 WeakPolarHBondContact O-CG 3.2Å; L225-K229 PolarHBondContact O-N 3.04Å
226	L	89.7	Confident	90.5	Very high	109 Å²	109	103.8 Å²	103.8	57%	0.571	50%	0.499	S	S	*	.	H	α-helix	trans	-62.7	-47.5	173.5	-76.3	168.8	0	0	0	111.5	S222 R223 E228 K229 E230	S222-L226 WeakPolarHBondContact O-CB 3.28Å; S222-L226 VanDerWaalsContact O-CG 3.31Å; S222-L226 WeakPolarHBondContact O-CG 3.47Å; S222-L226 PolarHBondContact O-N 2.84Å; R223-L226 PolarHBondContact O-N 3.23Å; L226-E228 VanDerWaalsContact C-N 3.31Å; L226-E228 PolarHBondContact O-N 2.9Å; L226-K229 CarbonylContact O-C 3.59Å; L226-K229 PolarHBondContact O-N 2.74Å; L226-E230 WeakPolarHBondContact O-CB 3.33Å; L226-E230 WeakPolarHBondContact O-CG 3.48Å; L226-E230 PolarHBondContact O-N 3.04Å
227	A	91.2	Very high	90.3	Very high	54 Å²	54	110.1 Å²	110.1	45%	0.446	51%	0.513	S	S	.	.	H	α-helix	trans	-63.1	-35.7	177.2	0	0	0	0	0	112.8	R223 R224 R231	R223-A227 WeakPolarHBondContact O-CB 3.3Å; R223-A227 PolarHBondContact O-N 3.05Å; R224-A227 PolarHBondContact O-N 2.89Å; A227-R231 WeakPolarHBondContact O-CB 3.47Å; A227-R231 PolarHBondContact O-N 2.73Å
228	E	92.2	Very high	90.2	Very high	108 Å²	108	105.8 Å²	105.8	51%	0.505	51%	0.509	S	S	.	.	H	α-helix	trans	-65.3	-43.7	172.6	-177.5	174.4	-131	0	0	111.5	R224 L225 L226 R231 E232	R224-E228 WeakPolarHBondContact O-CB 3.45Å; R224-E228 PolarHBondContact O-N 2.98Å; L225-E228 PolarHBondContact O-N 3.48Å; L226-E228 VanDerWaalsContact C-N 3.31Å; L226-E228 PolarHBondContact O-N 2.9Å; E228-R231 WeakPolarHBondContact O-CB 3.29Å; E228-R231 PolarHBondContact O-N 2.87Å; E228-E232 PolarHBondContact O-N 2.94Å
229	K	87.3	Confident	90	Very high	92 Å²	92	105.9 Å²	105.9	40%	0.4	50%	0.504	S	S	.	.	H	α-helix	trans	-72.2	-32.3	176	-65.2	-47.4	179.5	-167	0	113.7	L225 L226 R231 E232 M233	L225-K229 HydrophobicContact CD1-CG 4.43Å; L225-K229 WeakPolarHBondContact O-CG 3.2Å; L225-K229 PolarHBondContact O-N 3.04Å; L226-K229 CarbonylContact O-C 3.59Å; L226-K229 PolarHBondContact O-N 2.74Å; K229-R231 VanDerWaalsContact C-N 3.33Å; K229-E232 WeakPolarHBondContact CD-OE2 3.25Å; K229-E232 IonicContact NZ-OE1 2.76Å; K229-E232 PolarHBondContact NZ-OE1 2.77Å; K229-E232 IonicContact NZ-OE2 2.71Å; K229-E232 PolarHBondContact NZ-OE2 2.97Å; K229-E232 PolarHBondContact O-N 2.83Å; K229-M233 VanDerWaalsContact O-CB 3.28Å; K229-M233 WeakPolarHBondContact O-CB 3.27Å; K229-M233 WeakPolarHBondContact O-CG 3.29Å; K229-M233 PolarHBondContact O-N 3.26Å
230	E	90.8	Very high	89.6	Confident	137 Å²	137	104.7 Å²	104.7	64%	0.64	51%	0.506	S	S	*	.	H	α-helix	trans	-64.2	-39.7	168.9	-75.3	177.1	166	0	0	111	L226 M233 A234	L226-E230 WeakPolarHBondContact O-CB 3.33Å; L226-E230 WeakPolarHBondContact O-CG 3.48Å; L226-E230 PolarHBondContact O-N 3.04Å; E230-M233 PolarHBondContact O-N 3.43Å; E230-A234 WeakPolarHBondContact O-CB 3.41Å; E230-A234 PolarHBondContact O-N 2.73Å
231	R	90.1	Very high	89.4	Confident	167 Å²	167	106.6 Å²	106.6	63%	0.63	51%	0.513	S	S	*	.	H	α-helix	trans	-65.1	-48.8	172.8	-173.6	-171.9	171.7	102.4	15.5	112.2	A227 E228 K229 M233 A234 E235	A227-R231 WeakPolarHBondContact O-CB 3.47Å; A227-R231 PolarHBondContact O-N 2.73Å; E228-R231 WeakPolarHBondContact O-CB 3.29Å; E228-R231 PolarHBondContact O-N 2.87Å; K229-R231 VanDerWaalsContact C-N 3.33Å; R231-M233 VanDerWaalsContact C-N 3.27Å; R231-M233 PolarHBondContact O-N 2.85Å; R231-A234 PolarHBondContact O-N 3.25Å; R231-A234 VanDerWaalsContact O-N 3.12Å; R231-E235 HydrophobicContact CG-CG 4.49Å; R231-E235 IonicContact CZ-OE1 3.04Å; R231-E235 VanDerWaalsContact CZ-OE1 3.28Å; R231-E235 IonicContact NE-OE1 2.73Å; R231-E235 PolarHBondContact NE-OE1 3.08Å; R231-E235 IonicContact NH2-OE1 3.78Å; R231-E235 PolarHBondContact NH2-OE1 3.42Å; R231-E235 WeakPolarHBondContact O-CG 3.5Å; R231-E235 PolarHBondContact O-N 2.67Å
232	E	89.6	Confident	89.2	Confident	83 Å²	83	108 Å²	108	39%	0.388	52%	0.515	S	S	.	.	H	α-helix	trans	-55.8	-43.8	174.6	-78.2	175.9	-156.7	0	0	111.3	E228 K229 E235 M236	E228-E232 PolarHBondContact O-N 2.94Å; K229-E232 WeakPolarHBondContact CD-OE2 3.25Å; K229-E232 IonicContact NZ-OE1 2.76Å; K229-E232 PolarHBondContact NZ-OE1 2.77Å; K229-E232 IonicContact NZ-OE2 2.71Å; K229-E232 PolarHBondContact NZ-OE2 2.97Å; K229-E232 PolarHBondContact O-N 2.83Å; E232-E235 PolarHBondContact O-N 3.44Å; E232-M236 VanDerWaalsContact O-CB 3.31Å; E232-M236 WeakPolarHBondContact O-CB 3.4Å; E232-M236 VanDerWaalsContact O-CG 3.24Å; E232-M236 WeakPolarHBondContact O-CG 3.45Å; E232-M236 PolarHBondContact O-N 3.47Å
233	M	84.7	Confident	88.9	Confident	112 Å²	112	110.8 Å²	110.8	55%	0.552	52%	0.521	S	S	*	.	H	α-helix	trans	-65.8	-36.6	176.7	-74.8	-73.2	-72.8	0	0	112.5	K229 E230 R231 R237	K229-M233 VanDerWaalsContact O-CB 3.28Å; K229-M233 WeakPolarHBondContact O-CB 3.27Å; K229-M233 WeakPolarHBondContact O-CG 3.29Å; K229-M233 PolarHBondContact O-N 3.26Å; E230-M233 PolarHBondContact O-N 3.43Å; R231-M233 VanDerWaalsContact C-N 3.27Å; R231-M233 PolarHBondContact O-N 2.85Å; M233-R237 WeakPolarHBondContact O-CB 3.47Å; M233-R237 WeakPolarHBondContact O-CG 3.15Å; M233-R237 PolarHBondContact O-N 3.34Å
234	A	89.2	Confident	88.6	Confident	57 Å²	57	107.8 Å²	107.8	47%	0.471	52%	0.516	S	S	.	.	H	α-helix	trans	-68.1	-44.6	173.8	0	0	0	0	0	111.8	E230 R231 R237 A238	E230-A234 WeakPolarHBondContact O-CB 3.41Å; E230-A234 PolarHBondContact O-N 2.73Å; R231-A234 PolarHBondContact O-N 3.25Å; R231-A234 VanDerWaalsContact O-N 3.12Å; A234-R237 PolarHBondContact O-N 2.97Å; A234-A238 WeakPolarHBondContact O-CB 3.22Å; A234-A238 PolarHBondContact O-N 2.9Å
235	E	89.2	Confident	88.4	Confident	63 Å²	63	103.5 Å²	103.5	29%	0.294	51%	0.506	S	S	.	.	H	α-helix	trans	-65.4	-39.1	175.9	-70.9	-173.3	-165.2	0	0	112.1	R231 E232 A238 R239	R231-E235 HydrophobicContact CG-CG 4.49Å; R231-E235 IonicContact CZ-OE1 3.04Å; R231-E235 VanDerWaalsContact CZ-OE1 3.28Å; R231-E235 IonicContact NE-OE1 2.73Å; R231-E235 PolarHBondContact NE-OE1 3.08Å; R231-E235 IonicContact NH2-OE1 3.78Å; R231-E235 PolarHBondContact NH2-OE1 3.42Å; R231-E235 WeakPolarHBondContact O-CG 3.5Å; R231-E235 PolarHBondContact O-N 2.67Å; E232-E235 PolarHBondContact O-N 3.44Å; E235-A238 PolarHBondContact O-N 2.74Å; E235-R239 WeakPolarHBondContact O-CB 3.33Å; E235-R239 VanDerWaalsContact O-CG 3.32Å; E235-R239 WeakPolarHBondContact O-CG 3.36Å; E235-R239 PolarHBondContact O-N 2.74Å; E235-R239 IonicContact OE2-CZ 2.62Å; E235-R239 IonicContact OE2-NH1 3.8Å; E235-R239 IonicContact OE2-NH2 3.64Å; E235-R239 PolarHBondContact OE2-NH2 2.9Å
236	M	85.4	Confident	88	Confident	108 Å²	108	103.4 Å²	103.4	53%	0.532	50%	0.503	S	S	.	.	H	α-helix	trans	-69.1	-34.5	174.9	-73.2	-62.1	-67.8	0	0	112.4	E232 M240	E232-M236 VanDerWaalsContact O-CB 3.31Å; E232-M236 WeakPolarHBondContact O-CB 3.4Å; E232-M236 VanDerWaalsContact O-CG 3.24Å; E232-M236 WeakPolarHBondContact O-CG 3.45Å; E232-M236 PolarHBondContact O-N 3.47Å; M236-M240 VanDerWaalsContact O-CB 3.24Å; M236-M240 WeakPolarHBondContact O-CB 3.47Å; M236-M240 PolarHBondContact O-N 3.46Å
237	R	89.4	Confident	87.7	Confident	179 Å²	179	106.5 Å²	106.5	68%	0.675	51%	0.508	S	S	*	.	H	α-helix	trans	-66.4	-42	169.8	-77.1	170.4	-179.6	-174.9	1.5	111.8	M233 A234 M240 Q241	M233-R237 WeakPolarHBondContact O-CB 3.47Å; M233-R237 WeakPolarHBondContact O-CG 3.15Å; M233-R237 PolarHBondContact O-N 3.34Å; A234-R237 PolarHBondContact O-N 2.97Å; R237-M240 PolarHBondContact O-N 2.65Å; R237-Q241 WeakPolarHBondContact O-CB 3.39Å; R237-Q241 PolarHBondContact O-N 3.11Å
238	A	88.9	Confident	87.3	Confident	59 Å²	59	108.5 Å²	108.5	49%	0.488	51%	0.509	S	S	.	.	H	α-helix	trans	-63.9	-45.2	176.9	0	0	0	0	0	111.8	A234 E235 M240 Q241 Q242	A234-A238 WeakPolarHBondContact O-CB 3.22Å; A234-A238 PolarHBondContact O-N 2.9Å; E235-A238 PolarHBondContact O-N 2.74Å; A238-M240 VanDerWaalsContact C-N 3.34Å; A238-M240 PolarHBondContact O-N 3.01Å; A238-Q241 PolarHBondContact O-N 2.93Å; A238-Q242 WeakPolarHBondContact O-CB 3.32Å; A238-Q242 PolarHBondContact O-N 3.44Å
239	R	88.3	Confident	86.9	Confident	122 Å²	122	109.7 Å²	109.7	46%	0.46	51%	0.514	S	S	.	.	H	α-helix	trans	-61.4	-40.1	172.7	-70.1	173.8	-167	115.1	13.5	112	E235 Q243	E235-R239 WeakPolarHBondContact O-CB 3.33Å; E235-R239 VanDerWaalsContact O-CG 3.32Å; E235-R239 WeakPolarHBondContact O-CG 3.36Å; E235-R239 PolarHBondContact O-N 2.74Å; E235-R239 IonicContact OE2-CZ 2.62Å; E235-R239 IonicContact OE2-NH1 3.8Å; E235-R239 IonicContact OE2-NH2 3.64Å; E235-R239 PolarHBondContact OE2-NH2 2.9Å; R239-Q243 WeakPolarHBondContact O-CB 3.43Å; R239-Q243 VanDerWaalsContact O-CG 3.31Å; R239-Q243 WeakPolarHBondContact O-CG 3.31Å; R239-Q243 PolarHBondContact O-N 3.23Å
240	M	84.5	Confident	86.7	Confident	119 Å²	119	110.2 Å²	110.2	59%	0.586	52%	0.521	S	S	*	.	H	α-helix	trans	-68.2	-37.5	176.8	-175.5	174.7	-67.2	0	0	112.3	M236 R237 A238 Q243 L244	M236-M240 VanDerWaalsContact O-CB 3.24Å; M236-M240 WeakPolarHBondContact O-CB 3.47Å; M236-M240 PolarHBondContact O-N 3.46Å; R237-M240 PolarHBondContact O-N 2.65Å; A238-M240 VanDerWaalsContact C-N 3.34Å; A238-M240 PolarHBondContact O-N 3.01Å; M240-Q243 PolarHBondContact O-N 2.84Å; M240-L244 WeakPolarHBondContact O-CG 3.3Å; M240-L244 PolarHBondContact O-N 3.27Å
241	Q	87.1	Confident	86.3	Confident	102 Å²	102	107.3 Å²	107.3	48%	0.477	51%	0.509	S	S	.	.	H	α-helix	trans	-66.8	-49.3	174	-173.1	60.4	51.9	0	0	110.5	R237 A238 Q243 L244 D245	R237-Q241 WeakPolarHBondContact O-CB 3.39Å; R237-Q241 PolarHBondContact O-N 3.11Å; A238-Q241 PolarHBondContact O-N 2.93Å; Q241-Q243 VanDerWaalsContact C-N 3.26Å; Q241-Q243 PolarHBondContact O-N 3.27Å; Q241-L244 CarbonylContact O-C 3.52Å; Q241-L244 WeakPolarHBondContact O-CA 3.31Å; Q241-L244 WeakPolarHBondContact O-CB 3.29Å; Q241-L244 PolarHBondContact O-N 3.32Å; Q241-D245 PolarHBondContact NE2-OD1 3.19Å; Q241-D245 PolarHBondContact O-N 3.31Å
242	Q	88.9	Confident	86	Confident	108 Å²	108	103.2 Å²	103.2	51%	0.505	50%	0.5	S	S	.	.	H	α-helix	trans	-54	-43.1	173.8	-177.6	-173.4	-20.5	0	0	111.4	A238 L244 D245 E246	A238-Q242 WeakPolarHBondContact O-CB 3.32Å; A238-Q242 PolarHBondContact O-N 3.44Å; Q242-L244 VanDerWaalsContact C-N 3.33Å; Q242-L244 PolarHBondContact O-N 3.14Å; Q242-D245 PolarHBondContact O-N 3.47Å; Q242-E246 HydrophobicContact CG-CG 4.38Å; Q242-E246 WeakPolarHBondContact CG-OE1 3.38Å; Q242-E246 PolarHBondContact NE2-OE1 2.76Å; Q242-E246 VanDerWaalsContact O-CB 3.32Å; Q242-E246 WeakPolarHBondContact O-CB 3.48Å; Q242-E246 VanDerWaalsContact O-CG 3.25Å; Q242-E246 WeakPolarHBondContact O-CG 3.49Å; Q242-E246 PolarHBondContact O-N 3.43Å
243	Q	84.3	Confident	85.7	Confident	120 Å²	120	104 Å²	104	56%	0.561	51%	0.505	S	S	*	.	H	α-helix	trans	-65.9	-31.6	175	-77.5	-174.3	-40.5	0	0	113.5	R239 M240 Q241 Y247	R239-Q243 WeakPolarHBondContact O-CB 3.43Å; R239-Q243 VanDerWaalsContact O-CG 3.31Å; R239-Q243 WeakPolarHBondContact O-CG 3.31Å; R239-Q243 PolarHBondContact O-N 3.23Å; M240-Q243 PolarHBondContact O-N 2.84Å; Q241-Q243 VanDerWaalsContact C-N 3.26Å; Q241-Q243 PolarHBondContact O-N 3.27Å; Q243-Y247 VanDerWaalsContact O-CB 3.31Å; Q243-Y247 WeakPolarHBondContact O-CB 3.18Å; Q243-Y247 WeakPolarHBondContact O-CD2 3.4Å; Q243-Y247 PolarHBondContact O-N 3.01Å
244	L	86.6	Confident	85.7	Confident	101 Å²	101	103.4 Å²	103.4	53%	0.529	50%	0.5	S	S	.	.	H	α-helix	trans	-72.1	-39	173	-73	167.8	0	0	0	111.4	M240 Q241 Q242 Y247 Q248	M240-L244 WeakPolarHBondContact O-CG 3.3Å; M240-L244 PolarHBondContact O-N 3.27Å; Q241-L244 CarbonylContact O-C 3.52Å; Q241-L244 WeakPolarHBondContact O-CA 3.31Å; Q241-L244 WeakPolarHBondContact O-CB 3.29Å; Q241-L244 PolarHBondContact O-N 3.32Å; Q242-L244 VanDerWaalsContact C-N 3.33Å; Q242-L244 PolarHBondContact O-N 3.14Å; L244-Y247 CarbonylContact O-C 3.53Å; L244-Y247 PolarHBondContact O-N 2.87Å; L244-Q248 WeakPolarHBondContact O-CB 3.42Å; L244-Q248 PolarHBondContact O-N 2.69Å
245	D	86.5	Confident	85.3	Confident	78 Å²	78	104.7 Å²	104.7	42%	0.417	50%	0.498	S	S	.	.	H	α-helix	trans	-66.9	-46	176.9	-55.8	-27.7	0	0	0	110.2	Q241 Q242 Y247 Q248 E249	Q241-D245 PolarHBondContact NE2-OD1 3.19Å; Q241-D245 PolarHBondContact O-N 3.31Å; Q242-D245 PolarHBondContact O-N 3.47Å; D245-Y247 VanDerWaalsContact C-N 3.33Å; D245-Y247 PolarHBondContact O-N 2.87Å; D245-Q248 CarbonylContact O-C 3.6Å; D245-Q248 WeakPolarHBondContact O-CB 3.46Å; D245-Q248 PolarHBondContact O-N 3.2Å; D245-E249 PolarHBondContact O-N 2.76Å
246	E	84.4	Confident	84.9	Confident	94 Å²	94	104 Å²	104	44%	0.439	50%	0.503	S	S	.	.	H	α-helix	trans	-59.7	-38.5	170.8	-74.2	169.9	-175.6	0	0	112	Q242 Q248 L250	Q242-E246 HydrophobicContact CG-CG 4.38Å; Q242-E246 WeakPolarHBondContact CG-OE1 3.38Å; Q242-E246 PolarHBondContact NE2-OE1 2.76Å; Q242-E246 VanDerWaalsContact O-CB 3.32Å; Q242-E246 WeakPolarHBondContact O-CB 3.48Å; Q242-E246 VanDerWaalsContact O-CG 3.25Å; Q242-E246 WeakPolarHBondContact O-CG 3.49Å; Q242-E246 PolarHBondContact O-N 3.43Å; E246-Q248 VanDerWaalsContact C-N 3.33Å; E246-L250 WeakPolarHBondContact O-CB 3.41Å; E246-L250 PolarHBondContact O-N 3.22Å
247	Y	82.2	Confident	84.5	Confident	174 Å²	174	102.8 Å²	102.8	68%	0.682	50%	0.499	S	S	*	.	H	α-helix	trans	-68.9	-30.5	173.1	-106.3	-81.2	0	0	0	112.6	Q243 L244 D245 L251	Q243-Y247 VanDerWaalsContact O-CB 3.31Å; Q243-Y247 WeakPolarHBondContact O-CB 3.18Å; Q243-Y247 WeakPolarHBondContact O-CD2 3.4Å; Q243-Y247 PolarHBondContact O-N 3.01Å; L244-Y247 CarbonylContact O-C 3.53Å; L244-Y247 PolarHBondContact O-N 2.87Å; D245-Y247 VanDerWaalsContact C-N 3.33Å; D245-Y247 PolarHBondContact O-N 2.87Å; Y247-L251 WeakPolarHBondContact O-CB 3.31Å; Y247-L251 PolarHBondContact O-N 2.72Å
248	Q	83.6	Confident	84	Confident	96 Å²	96	97.2 Å²	97.2	45%	0.449	48%	0.482	S	S	.	.	H	α-helix	trans	-75.9	-45.4	177	-173.3	61.7	52.8	0	0	110.7	L244 D245 E246 L250 L251 D252	L244-Q248 WeakPolarHBondContact O-CB 3.42Å; L244-Q248 PolarHBondContact O-N 2.69Å; D245-Q248 CarbonylContact O-C 3.6Å; D245-Q248 WeakPolarHBondContact O-CB 3.46Å; D245-Q248 PolarHBondContact O-N 3.2Å; E246-Q248 VanDerWaalsContact C-N 3.33Å; Q248-L250 VanDerWaalsContact C-N 3.32Å; Q248-L250 PolarHBondContact O-N 3.03Å; Q248-L251 CarbonylContact O-C 3.57Å; Q248-L251 WeakPolarHBondContact O-CB 3.36Å; Q248-L251 PolarHBondContact O-N 2.81Å; Q248-L251 VanDerWaalsContact O-N 3.12Å; Q248-D252 PolarHBondContact NE2-OD1 2.97Å; Q248-D252 PolarHBondContact NE2-OD2 2.97Å; Q248-D252 WeakPolarHBondContact O-CB 3.41Å; Q248-D252 PolarHBondContact O-N 3.43Å
249	E	83.3	Confident	83.3	Confident	133 Å²	133	101.1 Å²	101.1	62%	0.621	49%	0.492	S	S	*	.	H	α-helix	trans	-58.2	-44.6	170.7	-71.5	-173.6	173.9	0	0	111.1	D245 L251 D252 I253	D245-E249 PolarHBondContact O-N 2.76Å; E249-L251 VanDerWaalsContact C-N 3.34Å; E249-L251 PolarHBondContact O-N 3.15Å; E249-D252 PolarHBondContact O-N 3.05Å; E249-I253 WeakPolarHBondContact O-CB 3.16Å; E249-I253 VanDerWaalsContact O-CG1 3.23Å; E249-I253 WeakPolarHBondContact O-CG1 3.08Å; E249-I253 PolarHBondContact O-N 3.19Å
250	L	84.8	Confident	82.9	Confident	102 Å²	102	100.1 Å²	100.1	53%	0.534	49%	0.493	S	S	.	.	H	α-helix	trans	-66.1	-34.6	175.4	-177.1	61.5	0	0	0	112.1	E246 Q248 K254	E246-L250 WeakPolarHBondContact O-CB 3.41Å; E246-L250 PolarHBondContact O-N 3.22Å; Q248-L250 VanDerWaalsContact C-N 3.32Å; Q248-L250 PolarHBondContact O-N 3.03Å; L250-K254 WeakPolarHBondContact O-CB 3.18Å; L250-K254 PolarHBondContact O-N 3.29Å
251	L	81.3	Confident	82.3	Confident	76 Å²	76	97.9 Å²	97.9	40%	0.398	48%	0.482	S	S	.	.	H	α-helix	trans	-67.7	-41.1	174.1	177.9	60.6	0	0	0	111.3	Y247 Q248 E249 K254 L255	Y247-L251 WeakPolarHBondContact O-CB 3.31Å; Y247-L251 PolarHBondContact O-N 2.72Å; Q248-L251 CarbonylContact O-C 3.57Å; Q248-L251 WeakPolarHBondContact O-CB 3.36Å; Q248-L251 PolarHBondContact O-N 2.81Å; Q248-L251 VanDerWaalsContact O-N 3.12Å; E249-L251 VanDerWaalsContact C-N 3.34Å; E249-L251 PolarHBondContact O-N 3.15Å; L251-K254 HydrophobicContact CD1-CD 4.48Å; L251-K254 CarbonylContact O-C 3.51Å; L251-K254 PolarHBondContact O-N 2.96Å; L251-L255 HydrophobicContact CD1-CD1 4.4Å; L251-L255 HydrophobicContact CD1-CG 4.35Å; L251-L255 HydrophobicContact CG-CD1 4.16Å; L251-L255 WeakPolarHBondContact O-CB 3.35Å; L251-L255 VanDerWaalsContact O-CG 3.26Å; L251-L255 WeakPolarHBondContact O-CG 3.32Å; L251-L255 PolarHBondContact O-N 2.83Å
252	D	83.6	Confident	81.8	Confident	82 Å²	82	97.7 Å²	97.7	44%	0.439	48%	0.481	S	S	.	.	H	α-helix	trans	-71	-40.9	179.7	-66.1	-17.8	0	0	0	110.9	Q248 E249 K254 L255 A256	Q248-D252 PolarHBondContact NE2-OD1 2.97Å; Q248-D252 PolarHBondContact NE2-OD2 2.97Å; Q248-D252 WeakPolarHBondContact O-CB 3.41Å; Q248-D252 PolarHBondContact O-N 3.43Å; E249-D252 PolarHBondContact O-N 3.05Å; D252-K254 VanDerWaalsContact C-N 3.33Å; D252-K254 PolarHBondContact O-N 3.39Å; D252-L255 PolarHBondContact O-N 3.23Å; D252-A256 WeakPolarHBondContact O-CB 3.34Å; D252-A256 PolarHBondContact O-N 3.27Å
253	I	83.4	Confident	80.9	Confident	98 Å²	98	95.5 Å²	95.5	50%	0.503	48%	0.482	S	S	.	.	H	α-helix	trans	-61	-42	168	-69.3	165.1	0	0	0	110.5	E249 L255 A256 L257	E249-I253 WeakPolarHBondContact O-CB 3.16Å; E249-I253 VanDerWaalsContact O-CG1 3.23Å; E249-I253 WeakPolarHBondContact O-CG1 3.08Å; E249-I253 PolarHBondContact O-N 3.19Å; I253-L255 VanDerWaalsContact C-N 3.32Å; I253-L255 PolarHBondContact O-N 2.93Å; I253-A256 PolarHBondContact O-N 2.99Å; I253-L257 HydrophobicContact CG2-CD1 3.95Å; I253-L257 HydrophobicContact CG2-CG 4.41Å; I253-L257 WeakPolarHBondContact O-CB 3.27Å; I253-L257 WeakPolarHBondContact O-CG 3.19Å; I253-L257 PolarHBondContact O-N 2.76Å
254	K	84.7	Confident	80.2	Confident	101 Å²	101	96.6 Å²	96.6	44%	0.439	48%	0.482	S	S	.	.	H	α-helix	trans	-69.7	-28.5	177.8	-177.7	-91.8	177.9	-170.6	0	112.2	L250 L251 D252 D258	L250-K254 WeakPolarHBondContact O-CB 3.18Å; L250-K254 PolarHBondContact O-N 3.29Å; L251-K254 HydrophobicContact CD1-CD 4.48Å; L251-K254 CarbonylContact O-C 3.51Å; L251-K254 PolarHBondContact O-N 2.96Å; D252-K254 VanDerWaalsContact C-N 3.33Å; D252-K254 PolarHBondContact O-N 3.39Å; K254-D258 WeakPolarHBondContact CE-OD2 3.48Å; K254-D258 IonicContact NZ-OD1 3.15Å; K254-D258 IonicContact NZ-OD2 3.05Å; K254-D258 PolarHBondContact NZ-OD2 2.93Å; K254-D258 VanDerWaalsContact O-CB 3.25Å; K254-D258 WeakPolarHBondContact O-CB 3.46Å; K254-D258 VanDerWaalsContact O-CG 3.27Å; K254-D258 PolarHBondContact O-N 2.96Å
255	L	80.7	Confident	79.1	Confident	83 Å²	83	98.2 Å²	98.2	44%	0.435	48%	0.481	S	S	.	.	H	α-helix	trans	-74.5	-39.8	171.8	-76.6	167.8	0	0	0	111.3	L251 D252 I253 D258 M259	L251-L255 HydrophobicContact CD1-CD1 4.4Å; L251-L255 HydrophobicContact CD1-CG 4.35Å; L251-L255 HydrophobicContact CG-CD1 4.16Å; L251-L255 WeakPolarHBondContact O-CB 3.35Å; L251-L255 VanDerWaalsContact O-CG 3.26Å; L251-L255 WeakPolarHBondContact O-CG 3.32Å; L251-L255 PolarHBondContact O-N 2.83Å; D252-L255 PolarHBondContact O-N 3.23Å; I253-L255 VanDerWaalsContact C-N 3.32Å; I253-L255 PolarHBondContact O-N 2.93Å; L255-D258 PolarHBondContact O-N 3.01Å; L255-M259 WeakPolarHBondContact O-CB 3.45Å; L255-M259 WeakPolarHBondContact O-CG 3.3Å; L255-M259 PolarHBondContact O-N 3.43Å
256	A	81.4	Confident	78	Confident	49 Å²	49	101.7 Å²	101.7	41%	0.405	49%	0.492	S	S	.	.	H	α-helix	trans	-62.4	-45.9	171	0	0	0	0	0	111.2	D252 I253 M259 E260	D252-A256 WeakPolarHBondContact O-CB 3.34Å; D252-A256 PolarHBondContact O-N 3.27Å; I253-A256 PolarHBondContact O-N 2.99Å; A256-M259 CarbonylContact O-C 3.6Å; A256-M259 WeakPolarHBondContact O-CB 3.47Å; A256-M259 PolarHBondContact O-N 3.3Å; A256-M259 VanDerWaalsContact O-N 3.15Å; A256-E260 PolarHBondContact O-N 3.45Å
257	L	77	Confident	76.8	Confident	83 Å²	83	103.8 Å²	103.8	44%	0.435	51%	0.506	S	S	.	.	H	α-helix	trans	-65.4	-37.3	173.2	-73	172	0	0	0	112.3	I253 M259 E260 I261	I253-L257 HydrophobicContact CG2-CD1 3.95Å; I253-L257 HydrophobicContact CG2-CG 4.41Å; I253-L257 WeakPolarHBondContact O-CB 3.27Å; I253-L257 WeakPolarHBondContact O-CG 3.19Å; I253-L257 PolarHBondContact O-N 2.76Å; L257-M259 VanDerWaalsContact C-N 3.28Å; L257-M259 PolarHBondContact O-N 3.02Å; L257-E260 PolarHBondContact O-N 2.91Å; L257-I261 WeakPolarHBondContact O-CA 3.22Å; L257-I261 WeakPolarHBondContact O-CB 3.31Å; L257-I261 WeakPolarHBondContact O-CD1 3.46Å; L257-I261 WeakPolarHBondContact O-CG1 3.45Å; L257-I261 PolarHBondContact O-N 3.23Å
258	D	77.5	Confident	75.3	Confident	61 Å²	61	99.4 Å²	99.4	33%	0.326	49%	0.493	S	S	.	.	H	α-helix	trans	-64.4	-34.1	171.7	-86.6	-13.8	0	0	0	111.3	K254 L255 H262	K254-D258 WeakPolarHBondContact CE-OD2 3.48Å; K254-D258 IonicContact NZ-OD1 3.15Å; K254-D258 IonicContact NZ-OD2 3.05Å; K254-D258 PolarHBondContact NZ-OD2 2.93Å; K254-D258 VanDerWaalsContact O-CB 3.25Å; K254-D258 WeakPolarHBondContact O-CB 3.46Å; K254-D258 VanDerWaalsContact O-CG 3.27Å; K254-D258 PolarHBondContact O-N 2.96Å; L255-D258 PolarHBondContact O-N 3.01Å; D258-H262 WeakPolarHBondContact O-CB 3.33Å; D258-H262 PolarHBondContact O-N 3.49Å
259	M	75.2	Confident	73.9	Confident	141 Å²	141	98.9 Å²	98.9	70%	0.695	49%	0.491	S	S	*	.	H	α-helix	trans	-71.9	-41.9	174.7	-77	176.7	56.8	0	0	112.2	L255 A256 L257 H262 A263	L255-M259 WeakPolarHBondContact O-CB 3.45Å; L255-M259 WeakPolarHBondContact O-CG 3.3Å; L255-M259 PolarHBondContact O-N 3.43Å; A256-M259 CarbonylContact O-C 3.6Å; A256-M259 WeakPolarHBondContact O-CB 3.47Å; A256-M259 PolarHBondContact O-N 3.3Å; A256-M259 VanDerWaalsContact O-N 3.15Å; L257-M259 VanDerWaalsContact C-N 3.28Å; L257-M259 PolarHBondContact O-N 3.02Å; M259-H262 CarbonylContact O-C 3.58Å; M259-H262 PolarHBondContact O-N 3.19Å; M259-A263 PolarHBondContact O-N 2.87Å
260	E	80.2	Confident	72.6	Confident	102 Å²	102	95.6 Å²	95.6	48%	0.477	49%	0.493	S	S	.	.	H	α-helix	trans	-63.3	-47.4	171.4	-73.3	-177.9	-174.2	0	0	110.7	A256 L257 H262 A263 Y264	A256-E260 PolarHBondContact O-N 3.45Å; L257-E260 PolarHBondContact O-N 2.91Å; E260-H262 PolarHBondContact O-N 3.44Å; E260-A263 CarbonylContact O-C 3.55Å; E260-A263 WeakPolarHBondContact O-CA 3.48Å; E260-A263 WeakPolarHBondContact O-CB 3.41Å; E260-A263 PolarHBondContact O-N 3.29Å; E260-Y264 HydrophobicContact CB-CD2 4.37Å; E260-Y264 HydrophobicContact CB-CE2 4.16Å; E260-Y264 WeakPolarHBondContact O-CD2 3.37Å; E260-Y264 PolarHBondContact O-N 2.9Å
261	I	71	Confident	70.7	Confident	71 Å²	71	95.2 Å²	95.2	36%	0.364	49%	0.489	S	S	.	.	H	α-helix	trans	-62.4	-30.4	173.3	-69.2	164.8	0	0	0	110.7	L257 R265	L257-I261 WeakPolarHBondContact O-CA 3.22Å; L257-I261 WeakPolarHBondContact O-CB 3.31Å; L257-I261 WeakPolarHBondContact O-CD1 3.46Å; L257-I261 WeakPolarHBondContact O-CG1 3.45Å; L257-I261 PolarHBondContact O-N 3.23Å; I261-R265 HydrophobicContact CG2-CG 4.37Å; I261-R265 WeakPolarHBondContact O-CA 3.2Å; I261-R265 WeakPolarHBondContact O-CB 3.46Å; I261-R265 VanDerWaalsContact O-CG 3.23Å; I261-R265 WeakPolarHBondContact O-CG 3.49Å; I261-R265 PolarHBondContact O-N 3.48Å
262	H	77	Confident	68.7	Low	99 Å²	99	95.8 Å²	95.8	46%	0.458	49%	0.489	S	S	.	.	H	α-helix	trans	-76.9	-29.7	172.9	-163	3.4	0	0	0	112.4	D258 M259 E260 K266	D258-H262 WeakPolarHBondContact O-CB 3.33Å; D258-H262 PolarHBondContact O-N 3.49Å; M259-H262 CarbonylContact O-C 3.58Å; M259-H262 PolarHBondContact O-N 3.19Å; E260-H262 PolarHBondContact O-N 3.44Å; H262-K266 WeakPolarHBondContact O-CB 3.47Å; H262-K266 PolarHBondContact O-N 2.76Å
263	A	70.1	Confident	66.7	Low	62 Å²	62	100.1 Å²	100.1	51%	0.512	51%	0.507	S	S	.	.	H	α-helix	trans	-70.4	-47	170.8	0	0	0	0	0	111.2	M259 E260 K266 L267	M259-A263 PolarHBondContact O-N 2.87Å; E260-A263 CarbonylContact O-C 3.55Å; E260-A263 WeakPolarHBondContact O-CA 3.48Å; E260-A263 WeakPolarHBondContact O-CB 3.41Å; E260-A263 PolarHBondContact O-N 3.29Å; A263-K266 PolarHBondContact O-N 3.46Å; A263-K266 VanDerWaalsContact O-N 3.15Å; A263-L267 PolarHBondContact O-N 3.41Å
264	Y	69.5	Low	64.9	Low	143 Å²	143	103.3 Å²	103.3	56%	0.561	51%	0.513	S	S	*	.	H	α-helix	trans	-60.8	-44.3	171.1	-68.2	-56.2	0	0	0	111	E260 K266 L267 L268	E260-Y264 HydrophobicContact CB-CD2 4.37Å; E260-Y264 HydrophobicContact CB-CE2 4.16Å; E260-Y264 WeakPolarHBondContact O-CD2 3.37Å; E260-Y264 PolarHBondContact O-N 2.9Å; Y264-K266 PolarHBondContact O-N 3.02Å; Y264-L267 CarbonylContact O-C 3.12Å; Y264-L267 WeakPolarHBondContact O-CB 3.43Å; Y264-L267 PolarHBondContact O-N 3.21Å; Y264-L267 VanDerWaalsContact O-N 3.15Å; Y264-L268 WeakPolarHBondContact O-CB 3.19Å; Y264-L268 PolarHBondContact O-N 3.03Å
265	R	63.6	Low	62.7	Low	135 Å²	135	103.9 Å²	103.9	51%	0.509	52%	0.52	S	S	.	.	H	α-helix	trans	-62.4	-36	171.3	-83.9	-174.7	-174.4	132.3	4.5	112.4	I261 L267 L268 E269	I261-R265 HydrophobicContact CG2-CG 4.37Å; I261-R265 WeakPolarHBondContact O-CA 3.2Å; I261-R265 WeakPolarHBondContact O-CB 3.46Å; I261-R265 VanDerWaalsContact O-CG 3.23Å; I261-R265 WeakPolarHBondContact O-CG 3.49Å; I261-R265 PolarHBondContact O-N 3.48Å; R265-L267 VanDerWaalsContact C-N 3.28Å; R265-L267 PolarHBondContact O-N 3.02Å; R265-L268 CarbonylContact O-C 3.59Å; R265-L268 PolarHBondContact O-N 2.63Å; R265-E269 HydrophobicContact CB-CG 4.35Å; R265-E269 WeakPolarHBondContact O-CA 3.42Å; R265-E269 WeakPolarHBondContact O-CB 3.46Å; R265-E269 VanDerWaalsContact O-CD 3.31Å; R265-E269 WeakPolarHBondContact O-CG 3.29Å; R265-E269 PolarHBondContact O-N 3.13Å
266	K	63.2	Low	60.6	Low	150 Å²	150	110.5 Å²	110.5	65%	0.652	54%	0.539	S	S	*	.	H	α-helix	trans	-67	-32.7	173.5	-89.7	-170.8	171.6	-175.6	0	112.7	H262 A263 Y264 G270	H262-K266 WeakPolarHBondContact O-CB 3.47Å; H262-K266 PolarHBondContact O-N 2.76Å; A263-K266 PolarHBondContact O-N 3.46Å; A263-K266 VanDerWaalsContact O-N 3.15Å; Y264-K266 PolarHBondContact O-N 3.02Å; K266-G270 PolarHBondContact O-N 3.35Å
267	L	60.1	Low	58.2	Low	138 Å²	138	116.9 Å²	116.9	72%	0.723	57%	0.566	S	S	*	*	H	α-helix	trans	-72.4	-40.9	175.3	-151.6	72.6	0	0	0	111.5	A263 Y264 R265	A263-L267 PolarHBondContact O-N 3.41Å; Y264-L267 CarbonylContact O-C 3.12Å; Y264-L267 WeakPolarHBondContact O-CB 3.43Å; Y264-L267 PolarHBondContact O-N 3.21Å; Y264-L267 VanDerWaalsContact O-N 3.15Å; R265-L267 VanDerWaalsContact C-N 3.28Å; R265-L267 PolarHBondContact O-N 3.02Å
268	L	50.6	Low	56	Low	82 Å²	82	118.7 Å²	118.7	43%	0.429	59%	0.585	S	S	.	*	H	α-helix	trans	-81.4	-34.6	179.6	-84.3	144.7	0	0	0	113.3	Y264 R265 G270 E271 E272	Y264-L268 WeakPolarHBondContact O-CB 3.19Å; Y264-L268 PolarHBondContact O-N 3.03Å; R265-L268 CarbonylContact O-C 3.59Å; R265-L268 PolarHBondContact O-N 2.63Å; L268-G270 VanDerWaalsContact C-N 3.3Å; L268-G270 PolarHBondContact O-N 2.95Å; L268-E271 CarbonylContact O-C 3.6Å; L268-E271 WeakPolarHBondContact O-CA 3.39Å; L268-E271 WeakPolarHBondContact O-CB 3.4Å; L268-E271 PolarHBondContact O-N 2.94Å; L268-E272 WeakPolarHBondContact O-CA 3.42Å; L268-E272 WeakPolarHBondContact O-CB 3.21Å; L268-E272 VanDerWaalsContact O-CG 3.22Å; L268-E272 WeakPolarHBondContact O-CG 3.37Å; L268-E272 PolarHBondContact O-N 3.1Å
269	E	54.4	Low	54.8	Low	85 Å²	85	121.2 Å²	121.2	40%	0.397	61%	0.605	S	S	.	*	H	α-helix	trans	-64.9	-36	174.2	-73.5	160.8	177.4	0	0	110	R265 E271 E272 E273	R265-E269 HydrophobicContact CB-CG 4.35Å; R265-E269 WeakPolarHBondContact O-CA 3.42Å; R265-E269 WeakPolarHBondContact O-CB 3.46Å; R265-E269 VanDerWaalsContact O-CD 3.31Å; R265-E269 WeakPolarHBondContact O-CG 3.29Å; R265-E269 PolarHBondContact O-N 3.13Å; E269-E271 PolarHBondContact O-N 3.39Å; E269-E272 PolarHBondContact O-N 3.48Å; E269-E273 PolarHBondContact O-N 2.92Å
270	G	54.9	Low	52.9	Low	65 Å²	65	120.5 Å²	120.5	67%	0.67	61%	0.613	S	S	*	*	H	α-helix	trans	-63.4	-13.4	166.3	0	0	0	0	0	114.5	K266 L268	K266-G270 PolarHBondContact O-N 3.35Å; L268-G270 VanDerWaalsContact C-N 3.3Å; L268-G270 PolarHBondContact O-N 2.95Å
271	E	46.4	Very low	51.6	Low	94 Å²	94	120.8 Å²	120.8	44%	0.439	62%	0.624	S	S	.	*	H	α-helix	trans	-116.2	-3.6	175.6	-170.7	148.7	-162.9	0	0	113.3	L268 E269 R274	L268-E271 CarbonylContact O-C 3.6Å; L268-E271 WeakPolarHBondContact O-CA 3.39Å; L268-E271 WeakPolarHBondContact O-CB 3.4Å; L268-E271 PolarHBondContact O-N 2.94Å; E269-E271 PolarHBondContact O-N 3.39Å; E271-R274 WeakPolarHBondContact O-CB 3.34Å; E271-R274 IonicContact OE1-CZ 3.16Å; E271-R274 IonicContact OE1-NH1 2.7Å; E271-R274 PolarHBondContact OE1-NH1 3.2Å; E271-R274 IonicContact OE1-NH2 2.79Å; E271-R274 PolarHBondContact OE1-NH2 2.96Å
272	E	39	Very low	50	Low	87 Å²	87	123.9 Å²	123.9	41%	0.407	65%	0.647	S	S	.	*	H	α-helix	trans	-119.9	-9.1	-176.1	-72.3	176.8	172.2	0	0	112.4	L268 E269 R274 L275 R276	L268-E272 WeakPolarHBondContact O-CA 3.42Å; L268-E272 WeakPolarHBondContact O-CB 3.21Å; L268-E272 VanDerWaalsContact O-CG 3.22Å; L268-E272 WeakPolarHBondContact O-CG 3.37Å; L268-E272 PolarHBondContact O-N 3.1Å; E269-E272 PolarHBondContact O-N 3.48Å; E272-R274 PolarHBondContact O-N 3.21Å; E272-L275 VanDerWaalsContact C-N 3.34Å; E272-L275 HydrophobicContact CG-CB 4.38Å; E272-L275 CarbonylContact O-C 3.51Å; E272-L275 WeakPolarHBondContact O-CA 3.31Å; E272-L275 PolarHBondContact O-N 2.89Å; E272-R276 PolarHBondContact O-N 3.48Å; E272-R276 VanDerWaalsContact O-N 3.14Å
273	E	40.8	Very low	48.3	Very low	173 Å²	173	124.1 Å²	124.1	81%	0.808	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.1	-25.4	146.1	-76.8	-163.6	151	0	0	110.7	E269	E269-E273 PolarHBondContact O-N 2.92Å
274	R	44.9	Very low	47	Very low	165 Å²	165	128.4 Å²	128.4	62%	0.623	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.1	-17	169.3	-144.6	179.8	65.3	-154.2	-6.7	113.8	E271 E272	E271-R274 WeakPolarHBondContact O-CB 3.34Å; E271-R274 IonicContact OE1-CZ 3.16Å; E271-R274 IonicContact OE1-NH1 2.7Å; E271-R274 PolarHBondContact OE1-NH1 3.2Å; E271-R274 IonicContact OE1-NH2 2.79Å; E271-R274 PolarHBondContact OE1-NH2 2.96Å; E272-R274 PolarHBondContact O-N 3.21Å
275	L	38.9	Very low	45.6	Very low	114 Å²	114	131.3 Å²	131.3	60%	0.597	68%	0.679	S	S	*	*	S	Bend	trans	-150.7	56.7	-165	-63.7	173.5	0	0	0	114	E272 L277	E272-L275 VanDerWaalsContact C-N 3.34Å; E272-L275 HydrophobicContact CG-CB 4.38Å; E272-L275 CarbonylContact O-C 3.51Å; E272-L275 WeakPolarHBondContact O-CA 3.31Å; E272-L275 PolarHBondContact O-N 2.89Å; L275-L277 PolarHBondContact O-N 3.37Å
276	R	36.7	Very low	44.6	Very low	222 Å²	222	128.6 Å²	128.6	84%	0.838	68%	0.681	S	S	*	*			trans	-56.8	119.1	-174.5	-56.4	170.8	171.8	-166	-4.2	116.8	E272	E272-R276 PolarHBondContact O-N 3.48Å; E272-R276 VanDerWaalsContact O-N 3.14Å
277	L	32.2	Very low	43.7	Very low	183 Å²	183	133.4 Å²	133.4	96%	0.958	70%	0.695	S	S	*	*			trans	-163.1	160.6	151.7	-84.3	-163.3	0	0	0	113.8	L275	L275-L277 PolarHBondContact O-N 3.37Å
278	S	29.8	Very low	42.7	Very low	120 Å²	120	130.6 Å²	130.6	84%	0.839	70%	0.699	S	S	*	*			trans	-159.3	157.3	-176.8	-173.3	0	0	0	0	115.6
279	P	52.8	Low	42.2	Very low	115 Å²	115	137.3 Å²	137.3	75%	0.747	72%	0.718	S	S	*	*			trans	-127.8	177.2	-167.5	42.8	-28.3	0	0	0	118.8
280	S	34.3	Very low	41.4	Very low	125 Å²	125	136.7 Å²	136.7	87%	0.874	73%	0.728	S	S	*	*			trans	-167.4	164.7	170.1	-87.1	0	0	0	0	119.8
281	P	53.3	Low	40.7	Very low	109 Å²	109	138.2 Å²	138.2	71%	0.708	73%	0.729	S	S	*	*			trans	-145.9	-161	-163.5	38.8	-13.8	0	0	0	120.6
282	T	38.7	Very low	40.4	Very low	136 Å²	136	137.4 Å²	137.4	83%	0.834	73%	0.733	S	S	*	*			trans	91.4	171.1	162.9	79.2	0	0	0	0	120.6
283	S	40.8	Very low	40.7	Very low	104 Å²	104	142 Å²	142	73%	0.727	75%	0.754	S	S	*	*			cis	-168.6	175.2	7.4	-153.5	0	0	0	0	117.2
284	Q	41.4	Very low	40.7	Very low	151 Å²	151	139.8 Å²	139.8	71%	0.706	76%	0.758	S	S	*	*			trans	75.8	158.7	154.5	-70.9	-153	98.4	0	0	125
285	R	40	Very low	40.6	Very low	204 Å²	204	137.6 Å²	137.6	77%	0.77	77%	0.768	S	S	*	*			cis	-157.7	-116.2	-32.2	-143	-179.8	75.1	-133.9	10.4	120
286	S	44.2	Very low	40.9	Very low	79 Å²	79	141.6 Å²	141.6	55%	0.552	78%	0.784	S	S	*	*			trans	-168.9	178.7	-151.6	71.7	0	0	0	0	116.6
287	R	43	Very low	41	Very low	251 Å²	251	136.3 Å²	136.3	95%	0.947	78%	0.781	S	S	*	*			cis	179.2	161.6	3.5	-127.2	172.9	-177.7	174.6	0.8	113.7
288	G	39.4	Very low	41.6	Very low	78 Å²	78	137.5 Å²	137.5	80%	0.804	78%	0.781	S	S	*	*			trans	119.1	173	151.3	0	0	0	0	0	121.2
289	R	39.8	Very low	42	Very low	223 Å²	223	135.6 Å²	135.6	84%	0.842	78%	0.78	S	S	*	*			cis	-178.6	133.9	-29.8	-159.3	-155.2	105.3	102.1	5.1	117.4
290	A	38.1	Very low	41.2	Very low	73 Å²	73	134.3 Å²	134.3	60%	0.603	79%	0.789	S	S	*	*			trans	65.2	-178.3	150.1	0	0	0	0	0	123.5
291	S	39.8	Very low	41.4	Very low	97 Å²	97	132.3 Å²	132.3	68%	0.678	79%	0.788	S	S	*	*			cis	177.2	176.7	-49	81.9	0	0	0	0	110.6
292	S	40.4	Very low	40.7	Very low	77 Å²	77	132.6 Å²	132.6	54%	0.538	79%	0.792	S	S	.	*			cis	-177.6	175.3	-14.5	38.2	0	0	0	0	113.9
293	H	44.5	Very low	40.9	Very low	183 Å²	183	133 Å²	133	85%	0.847	79%	0.794	S	S	*	*			trans	89.2	170.5	166.4	-43.2	-67.1	0	0	0	120
294	S	41.9	Very low	40.7	Very low	126 Å²	126	133.9 Å²	133.9	88%	0.881	80%	0.795	S	S	*	*			cis	-154.5	-159.7	12.1	68.3	0	0	0	0	116.1
295	S	42	Very low	40.6	Very low	119 Å²	119	136.8 Å²	136.8	83%	0.832	81%	0.806	S	S	*	*			trans	-169.5	167.3	-169.1	61.3	0	0	0	0	118
296	Q	46.5	Very low	40.4	Very low	199 Å²	199	136.4 Å²	136.4	93%	0.93	81%	0.81	S	S	*	*			trans	-159.8	165.7	163.1	-153.3	160.6	4.5	0	0	118
297	S	39.1	Very low	39.9	Very low	111 Å²	111	144.3 Å²	144.3	78%	0.776	83%	0.827	S	S	*	*			trans	-162.9	167.5	-175.2	61.9	0	0	0	0	115.6
298	Q	43.9	Very low	39.4	Very low	207 Å²	207	140 Å²	140	97%	0.967	82%	0.816	S	S	*	*			trans	-164	170.4	161.4	-122.1	176.7	4.1	0	0	115.1
299	G	37.2	Very low	39.2	Very low	80 Å²	80	144 Å²	144	83%	0.825	82%	0.817	S	S	*	*			trans	174.4	-176.2	177.2	0	0	0	0	0	116.8
300	G	36.7	Very low	39.1	Very low	89 Å²	89	140.7 Å²	140.7	92%	0.918	81%	0.812	S	S	*	*			trans	126.6	156.7	-179.7	0	0	0	0	0	112.8
301	G	37.7	Very low	39	Very low	83 Å²	83	142.4 Å²	142.4	86%	0.856	82%	0.819	S	S	*	*			cis	-171.2	171.9	-3.1	0	0	0	0	0	110.4
302	S	39.9	Very low	39.1	Very low	115 Å²	115	141.3 Å²	141.3	80%	0.804	81%	0.811	S	S	*	*			trans	-134.1	153.1	-169.9	110	0	0	0	0	116
303	V	42.8	Very low	39.3	Very low	144 Å²	144	145.5 Å²	145.5	87%	0.873	82%	0.822	S	S	*	*			trans	-141.5	149.8	171.2	-178.9	0	0	0	0	110.5
304	T	37.1	Very low	39.3	Very low	122 Å²	122	140.3 Å²	140.3	75%	0.748	81%	0.806	S	S	*	*			trans	-129	154.4	-179.1	58.2	0	0	0	0	113.1
305	K	38.4	Very low	40	Very low	213 Å²	213	142.9 Å²	142.9	93%	0.926	80%	0.797	S	S	*	*			trans	-160.8	171.2	157.7	-113.1	161.9	-173.5	176.1	0	111.9
306	K	36.1	Very low	41	Very low	196 Å²	196	139.7 Å²	139.7	85%	0.852	78%	0.775	S	S	*	*			trans	-123.8	147.3	-161.5	-70.5	179.1	176.5	175.1	0	114.4
307	R	34.5	Very low	42.6	Very low	244 Å²	244	133.2 Å²	133.2	92%	0.921	75%	0.751	S	S	*	*			trans	47.2	127.7	142.9	-71.7	-177.7	170.1	-179.7	-5.2	120.1
308	K	32.5	Very low	44.6	Very low	162 Å²	162	129.5 Å²	129.5	70%	0.704	72%	0.721	S	S	*	*				-135	166.2	119.9	-164.6	174.8	163.9	-112.2	0	108.5	E310	K308-E310 VanDerWaalsContact NZ-CD 3.27Å; K308-E310 IonicContact NZ-OE1 2.87Å; K308-E310 PolarHBondContact NZ-OE1 3.22Å; K308-E310 IonicContact NZ-OE2 2.74Å; K308-E310 PolarHBondContact NZ-OE2 2.85Å
309	L	33.9	Very low	46.7	Very low	161 Å²	161	122.3 Å²	122.3	84%	0.843	69%	0.694	S	S	*	*			trans	-129.1	130.5	175.8	-176.3	76.1	0	0	0	106.9
310	E	37.4	Very low	49.3	Very low	154 Å²	154	123.5 Å²	123.5	72%	0.72	68%	0.678	S	S	*	*			trans	-101	173.4	178.6	-137.1	68.8	-146.9	0	0	110.5	K308	K308-E310 VanDerWaalsContact NZ-CD 3.27Å; K308-E310 IonicContact NZ-OE1 2.87Å; K308-E310 PolarHBondContact NZ-OE1 3.22Å; K308-E310 IonicContact NZ-OE2 2.74Å; K308-E310 PolarHBondContact NZ-OE2 2.85Å
311	S	37.3	Very low	51.9	Low	109 Å²	109	124.7 Å²	124.7	76%	0.762	66%	0.659	S	S	*	*			trans	-124	115.2	-163.8	177.3	0	0	0	0	113.1
312	S	40.5	Very low	54.6	Low	73 Å²	73	123.7 Å²	123.7	51%	0.51	64%	0.643	S	S	.	*			trans	-64.5	129.6	176.2	178.1	0	0	0	0	112.8
313	E	44.4	Very low	57.2	Low	166 Å²	166	127.4 Å²	127.4	78%	0.776	64%	0.639	S	S	*	*			trans	-89	104.3	178.4	-72.5	-159.7	105.9	0	0	112.7	R315	E313-R315 PolarHBondContact O-N 3.33Å; E313-R315 VanDerWaalsContact O-N 3.15Å
314	S	46.1	Very low	59.6	Low	73 Å²	73	123.5 Å²	123.5	51%	0.51	62%	0.616	S	S	.	*			trans	-75.3	100	175.5	-64.4	0	0	0	0	112.7	S316	S314-S316 PolarHBondContact O-N 2.86Å
315	R	55.6	Low	62.1	Low	181 Å²	181	123 Å²	123	68%	0.683	62%	0.618	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-78.9	108.2	176.9	-65.1	177.8	70.8	174.7	2	111.3	E313 T436	E313-R315 PolarHBondContact O-N 3.33Å; E313-R315 VanDerWaalsContact O-N 3.15Å; R315-T436 PolarHBondContact O-N 2.92Å; R315-T436 PolarHBondContact O-OG1 3.28Å
316	S	64.5	Low	64.5	Low	52 Å²	52	114.7 Å²	114.7	36%	0.364	59%	0.592	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-91.6	136.6	170.3	71.7	0	0	0	0	111.9	S314 R433 S434	S314-S316 PolarHBondContact O-N 2.86Å; S316-R433 PolarHBondContact OG-NH1 2.99Å; S316-S434 WeakPolarHBondContact CA-O 3.14Å
317	S	79.4	Confident	67.3	Low	63 Å²	63	109.6 Å²	109.6	44%	0.441	57%	0.568	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-126.3	156.9	175.1	60.5	0	0	0	0	111.3	R433 S434	S317-R433 CarbonylContact O-C 3.56Å; S317-R433 VanDerWaalsContact O-CA 3.31Å; S317-R433 WeakPolarHBondContact O-CA 3.43Å; S317-S434 PolarHBondContact N-O 2.92Å; S317-S434 PolarHBondContact O-N 2.89Å
318	F	81.8	Confident	70.2	Confident	32 Å²	32	98 Å²	98	14%	0.14	52%	0.524	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	124.6	173.7	-88.7	-84.2	0	0	0	111.3	E335 L414 L431 V432 R433	F318-E335 HydrophobicContact CD2-CG 3.97Å; F318-E335 WeakPolarHBondContact CD2-OE1 3.31Å; F318-E335 WeakPolarHBondContact CD2-OE2 3.38Å; F318-E335 HydrophobicContact CE2-CB 3.88Å; F318-E335 HydrophobicContact CE2-CG 3.79Å; F318-E335 WeakPolarHBondContact CE2-OE2 3.49Å; F318-E335 HydrophobicContact CZ-CB 4.38Å; F318-E335 HydrophobicContact CZ-CG 4.42Å; F318-L414 HydrophobicContact CE1-CD1 3.88Å; F318-L414 HydrophobicContact CE1-CG 4.45Å; F318-L414 HydrophobicContact CZ-CD1 3.88Å; F318-L431 HydrophobicContact CD1-CB 3.61Å; F318-L431 HydrophobicContact CD1-CD2 4.49Å; F318-L431 HydrophobicContact CE1-CB 3.96Å; F318-L431 HydrophobicContact CG-CB 4.42Å; F318-V432 WeakPolarHBondContact CA-O 3.26Å; F318-R433 HydrophobicContact CD1-CB 3.83Å; F318-R433 VanDerWaalsContact CD1-N 3.27Å; F318-R433 HydrophobicContact CD2-CB 4.38Å; F318-R433 HydrophobicContact CD2-CG 4.45Å; F318-R433 HydrophobicContact CE1-CB 3.58Å; F318-R433 HydrophobicContact CE2-CB 4.2Å; F318-R433 HydrophobicContact CE2-CG 4.32Å; F318-R433 HydrophobicContact CG-CB 4.26Å; F318-R433 HydrophobicContact CZ-CB 3.79Å; F318-R433 HydrophobicContact CZ-CG 4.36Å
319	S	87.8	Confident	73.3	Confident	56 Å²	56	90.3 Å²	90.3	39%	0.392	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	134	163	67.3	0	0	0	0	109.7	L431 V432	S319-L431 CarbonylContact O-C 3.59Å; S319-L431 WeakPolarHBondContact O-CA 3.48Å; S319-V432 PolarHBondContact N-O 3.18Å; S319-V432 PolarHBondContact O-N 2.81Å; S319-V432 PolarHBondContact OG-O 3.48Å
320	Q	90.7	Very high	76.3	Confident	105 Å²	105	83 Å²	83	49%	0.491	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	134	178.4	-59.7	-162.6	17.5	0	0	111.4	L431	Q320-L431 HydrophobicContact CG-CD2 4.41Å; Q320-L431 HydrophobicContact CG-CG 4.23Å
321	H	91.5	Very high	79.1	Confident	115 Å²	115	78 Å²	78	53%	0.532	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	127.8	174.9	-68.3	74.7	0	0	0	109	R429 K430	H321-R429 CarbonylContact O-C 3.58Å; H321-R429 VanDerWaalsContact O-CA 3.28Å; H321-R429 WeakPolarHBondContact O-CA 3.36Å; H321-K430 PolarHBondContact N-O 3.33Å; H321-K430 PolarHBondContact O-N 2.96Å
322	A	93.8	Very high	81.8	Confident	62 Å²	62	76.5 Å²	76.5	51%	0.512	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	146.7	-179.8	0	0	0	0	0	111.9	M428	A322-M428 CarbonylContact C-O 3.58Å; A322-M428 WeakPolarHBondContact CA-O 3.38Å
323	R	94.4	Very high	84.4	Confident	192 Å²	192	73.3 Å²	73.3	73%	0.725	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139.8	149.4	173.9	-65.6	-174.6	178.9	173.8	-0.9	109.8	A427 M428	R323-A427 CarbonylContact O-C 3.58Å; R323-A427 WeakPolarHBondContact O-CA 3.47Å; R323-M428 HydrophobicContact CG-CE 4.39Å; R323-M428 PolarHBondContact N-O 3.43Å; R323-M428 PolarHBondContact O-N 3.39Å
324	T	93.9	Very high	86.7	Confident	63 Å²	63	66.7 Å²	66.7	39%	0.387	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	129.2	178.4	-60.3	0	0	0	0	108.6	G326 A329 A427	T324-G326 VanDerWaalsContact CG2-O 3.23Å; T324-G326 WeakPolarHBondContact CG2-O 3.35Å; T324-A329 HydrophobicContact CG2-CB 4.04Å; T324-A329 WeakPolarHBondContact OG1-CB 3.48Å; T324-A427 HydrophobicContact CG2-CB 4.14Å
325	S	90.1	Very high	88.8	Confident	112 Å²	112	66.8 Å²	66.8	78%	0.783	35%	0.35	S	S	*	.	S	Bend	trans	-117.2	-5.7	179.2	-167.3	0	0	0	0	113	V426	S325-V426 PolarHBondContact N-O 3.44Å
326	G	87.8	Confident	90.4	Very high	38 Å²	38	64.2 Å²	64.2	39%	0.392	35%	0.346	S	S	.	.	S	Bend	trans	-125.1	-170.5	177.9	0	0	0	0	0	113.1	T324 V328 V426	T324-G326 VanDerWaalsContact CG2-O 3.23Å; T324-G326 WeakPolarHBondContact CG2-O 3.35Å; G326-V328 VanDerWaalsContact C-N 3.29Å; G326-V328 PolarHBondContact O-N 3.35Å; G326-V426 PolarHBondContact N-O 3Å
327	R	94.7	Very high	91.8	Very high	88 Å²	88	61.7 Å²	61.7	33%	0.332	33%	0.328	S	S	.	.	S	Bend	trans	-66.4	-27.6	-177.8	-63.5	179.8	178.9	-167.1	-11.6	113.8	N344 K345 E348	R327-N344 PolarHBondContact O-OD1 2.9Å; R327-K345 PolarHBondContact O-N 3.47Å; R327-E348 IonicContact CZ-OE1 2.63Å; R327-E348 IonicContact CZ-OE2 2.96Å; R327-E348 IonicContact NH1-OE2 3.99Å; R327-E348 PolarHBondContact NH1-OE2 3.18Å; R327-E348 IonicContact NH2-OE1 2.76Å; R327-E348 PolarHBondContact NH2-OE1 2.81Å; R327-E348 IonicContact NH2-OE2 3.8Å; R327-E348 PolarHBondContact NH2-OE2 3.3Å
328	V	96.5	Very high	92.5	Very high	1 Å²	1	62.4 Å²	62.4	1%	0.006	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	123.4	-173.8	-179.6	0	0	0	0	110.4	G326 L342 R343 N344 Q350 M352 L377 L418 A427	G326-V328 VanDerWaalsContact C-N 3.29Å; G326-V328 PolarHBondContact O-N 3.35Å; V328-L342 HydrophobicContact CG1-CB 3.96Å; V328-L342 HydrophobicContact CG1-CD1 4.4Å; V328-R343 WeakPolarHBondContact CA-O 3.45Å; V328-N344 HydrophobicContact CG2-CB 4.08Å; V328-Q350 HydrophobicContact CG2-CB 3.89Å; V328-Q350 HydrophobicContact CG2-CG 3.75Å; V328-M352 HydrophobicContact CB-SD 4.14Å; V328-M352 HydrophobicContact CG1-SD 3.94Å; V328-M352 HydrophobicContact CG2-SD 3.87Å; V328-L377 HydrophobicContact CG1-CD2 3.95Å; V328-L377 HydrophobicContact CG2-CD2 4.05Å; V328-L418 HydrophobicContact CB-CD2 3.99Å; V328-L418 HydrophobicContact CG1-CD2 3.63Å; V328-A427 WeakPolarHBondContact O-CB 3.21Å
329	A	96.9	Very high	93.2	Very high	1 Å²	1	61.6 Å²	61.6	1%	0.008	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	151.1	173.3	0	0	0	0	0	110.9	T324 E331 L342 R343 K345	T324-A329 HydrophobicContact CG2-CB 4.04Å; T324-A329 WeakPolarHBondContact OG1-CB 3.48Å; A329-E331 PolarHBondContact O-N 2.98Å; A329-L342 VanDerWaalsContact O-CA 3.32Å; A329-L342 WeakPolarHBondContact O-CA 3.33Å; A329-R343 PolarHBondContact N-O 2.94Å; A329-R343 PolarHBondContact O-N 3Å; A329-K345 HydrophobicContact CB-CD 3.98Å; A329-K345 HydrophobicContact CB-CG 4.32Å
330	V	96.9	Very high	93.7	Very high	6 Å²	6	59 Å²	59	4%	0.036	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	115.7	153.4	-174.9	0	0	0	0	106.5	V333 V340 L342 T416 L418 A427 R429	V330-V333 HydrophobicContact CG1-CG2 3.62Å; V330-V340 HydrophobicContact CG1-CG1 4.45Å; V330-L342 HydrophobicContact CB-CD2 4.2Å; V330-L342 HydrophobicContact CG1-CD2 4.35Å; V330-L342 HydrophobicContact CG2-CD2 3.87Å; V330-T416 HydrophobicContact CG1-CG2 4.45Å; V330-L418 HydrophobicContact CG2-CB 4.31Å; V330-A427 HydrophobicContact CG2-CB 4.26Å; V330-R429 HydrophobicContact CB-CB 4.26Å; V330-R429 HydrophobicContact CG1-CB 3.98Å; V330-R429 PolarHBondContact O-NH1 3.39Å
331	E	95.6	Very high	94	Very high	50 Å²	50	56.7 Å²	56.7	23%	0.234	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	-45.5	-177.6	174	162.5	-140.6	0	0	111.5	A329 R341 R343 R429	A329-E331 PolarHBondContact O-N 2.98Å; E331-R341 HydrophobicContact CB-CG 4.35Å; E331-R341 PolarHBondContact N-O 2.91Å; E331-R343 HydrophobicContact CB-CB 4.09Å; E331-R343 IonicContact OE1-CZ 2.69Å; E331-R343 IonicContact OE1-NE 3.03Å; E331-R343 PolarHBondContact OE1-NE 2.75Å; E331-R343 IonicContact OE1-NH2 3.2Å; E331-R343 PolarHBondContact OE1-NH2 2.73Å; E331-R343 IonicContact OE2-CZ 2.7Å; E331-R343 IonicContact OE2-NE 2.74Å; E331-R343 PolarHBondContact OE2-NE 3.31Å; E331-R343 IonicContact OE2-NH2 2.99Å; E331-R343 PolarHBondContact OE2-NH2 3.24Å; E331-R429 VanDerWaalsContact C-NH1 3.27Å; E331-R429 PolarHBondContact O-NH1 2.81Å; E331-R429 PolarHBondContact O-NH2 2.93Å
332	E	95	Very high	94.3	Very high	77 Å²	77	51.2 Å²	51.2	36%	0.36	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	151.6	-171	-171.4	-179	138.5	0	0	109	F339 R341	E332-F339 HydrophobicContact CG-CE2 4.18Å; E332-F339 VanDerWaalsContact OE1-CZ 3.28Å; E332-F339 WeakPolarHBondContact OE1-CZ 3.22Å; E332-R341 HydrophobicContact CB-CB 4.03Å; E332-R341 PolarHBondContact N-O 2.69Å; E332-R341 PolarHBondContact O-N 2.94Å; E332-R341 IonicContact OE1-CZ 2.65Å; E332-R341 IonicContact OE1-NH1 3.32Å; E332-R341 PolarHBondContact OE1-NH1 2.79Å; E332-R341 IonicContact OE2-CZ 2.74Å; E332-R341 IonicContact OE2-NH1 3.91Å; E332-R341 PolarHBondContact OE2-NH1 2.94Å
333	V	94.3	Very high	94.5	Very high	7 Å²	7	52.7 Å²	52.7	4%	0.042	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	132.7	171.2	-165.7	0	0	0	0	108.5	V330 F339 V340 T416 L431	V330-V333 HydrophobicContact CG1-CG2 3.62Å; V333-F339 WeakPolarHBondContact CG1-O 3.22Å; V333-V340 HydrophobicContact CG1-CB 4.49Å; V333-V340 HydrophobicContact CG1-CG2 3.65Å; V333-V340 HydrophobicContact CG2-CG1 4.43Å; V333-V340 HydrophobicContact CG2-CG2 4.4Å; V333-T416 HydrophobicContact CG2-CG2 4.18Å; V333-L431 HydrophobicContact CB-CD1 4.25Å
334	D	93.4	Very high	94.6	Very high	26 Å²	26	43.6 Å²	43.6	14%	0.139	22%	0.221	C	C	.	.			trans	-67.6	142.3	-179.1	-173.4	88.3	0	0	0	112	E336 G337 K338 F339 R359	D334-E336 VanDerWaalsContact OD2-C 3.31Å; D334-E336 WeakPolarHBondContact OD2-CA 3.17Å; D334-E336 WeakPolarHBondContact OD2-CB 3.2Å; D334-E336 PolarHBondContact OD2-N 3.01Å; D334-G337 PolarHBondContact OD2-N 2.85Å; D334-K338 HydrophobicContact CB-CB 4.13Å; D334-K338 WeakPolarHBondContact OD2-CB 3.33Å; D334-K338 WeakPolarHBondContact OD2-CG 3.46Å; D334-K338 PolarHBondContact OD2-N 2.85Å; D334-F339 HydrophobicContact CB-CD1 3.82Å; D334-F339 HydrophobicContact CB-CE1 3.77Å; D334-F339 HydrophobicContact CB-CE2 4.49Å; D334-F339 HydrophobicContact CB-CG 4.19Å; D334-F339 HydrophobicContact CB-CZ 4.11Å; D334-F339 PolarHBondContact N-O 3.46Å; D334-R359 PolarHBondContact O-NH2 3.47Å
335	E	90.6	Very high	94.7	Very high	75 Å²	75	48 Å²	48	35%	0.35	24%	0.235	S	C	.	.	S	Bend	trans	-81.1	-26.4	-176.6	-60.6	-173.4	174.4	0	0	112.9	F318 C410 L431	F318-E335 HydrophobicContact CD2-CG 3.97Å; F318-E335 WeakPolarHBondContact CD2-OE1 3.31Å; F318-E335 WeakPolarHBondContact CD2-OE2 3.38Å; F318-E335 HydrophobicContact CE2-CB 3.88Å; F318-E335 HydrophobicContact CE2-CG 3.79Å; F318-E335 WeakPolarHBondContact CE2-OE2 3.49Å; F318-E335 HydrophobicContact CZ-CB 4.38Å; F318-E335 HydrophobicContact CZ-CG 4.42Å; E335-C410 VanDerWaalsContact O-CB 3.29Å; E335-C410 WeakPolarHBondContact O-CB 3.39Å; E335-L431 HydrophobicContact CG-CD2 4.07Å
336	E	89.5	Confident	94.9	Very high	127 Å²	127	43.8 Å²	43.8	59%	0.593	21%	0.205	S	C	*	.	S	Bend	trans	-89.4	-5.1	173.9	-64.7	170.6	-125.4	0	0	112.1	D334 K338	D334-E336 VanDerWaalsContact OD2-C 3.31Å; D334-E336 WeakPolarHBondContact OD2-CA 3.17Å; D334-E336 WeakPolarHBondContact OD2-CB 3.2Å; D334-E336 PolarHBondContact OD2-N 3.01Å; E336-K338 IonicContact OE1-NZ 2.77Å; E336-K338 PolarHBondContact OE1-NZ 3.35Å; E336-K338 WeakPolarHBondContact OE2-CE 3.44Å; E336-K338 IonicContact OE2-NZ 3.95Å; E336-K338 PolarHBondContact OE2-NZ 3.22Å
337	G	92.3	Very high	95.2	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	22%	0.223	C	C	.	.	S	Bend	trans	86.8	19.3	178.1	0	0	0	0	0	115	D334 T407 W408	D334-G337 PolarHBondContact OD2-N 2.85Å; G337-T407 PolarHBondContact O-OG1 2.98Å; G337-W408 WeakPolarHBondContact O-CB 3.46Å; G337-W408 PolarHBondContact O-N 2.87Å
338	K	95.3	Very high	95.3	Very high	77 Å²	77	49.1 Å²	49.1	34%	0.335	23%	0.228	S	C	.	.	S	Bend	trans	-67.1	-41.8	-179	-62.4	163	-169.9	152.3	0	113.2	D334 E336 A387 A390	D334-K338 HydrophobicContact CB-CB 4.13Å; D334-K338 WeakPolarHBondContact OD2-CB 3.33Å; D334-K338 WeakPolarHBondContact OD2-CG 3.46Å; D334-K338 PolarHBondContact OD2-N 2.85Å; E336-K338 IonicContact OE1-NZ 2.77Å; E336-K338 PolarHBondContact OE1-NZ 3.35Å; E336-K338 WeakPolarHBondContact OE2-CE 3.44Å; E336-K338 IonicContact OE2-NZ 3.95Å; E336-K338 PolarHBondContact OE2-NZ 3.22Å; K338-A387 PolarHBondContact O-N 3.33Å; K338-A390 HydrophobicContact CB-CB 4.03Å
339	F	97	Very high	95.3	Very high	16 Å²	16	53 Å²	53	7%	0.07	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	160.8	-176.2	64.8	-90.9	0	0	0	115.1	E332 V333 D334 R341 T384 I385 W386	E332-F339 HydrophobicContact CG-CE2 4.18Å; E332-F339 VanDerWaalsContact OE1-CZ 3.28Å; E332-F339 WeakPolarHBondContact OE1-CZ 3.22Å; V333-F339 WeakPolarHBondContact CG1-O 3.22Å; D334-F339 HydrophobicContact CB-CD1 3.82Å; D334-F339 HydrophobicContact CB-CE1 3.77Å; D334-F339 HydrophobicContact CB-CE2 4.49Å; D334-F339 HydrophobicContact CB-CG 4.19Å; D334-F339 HydrophobicContact CB-CZ 4.11Å; D334-F339 PolarHBondContact N-O 3.46Å; F339-R341 HydrophobicContact CD2-CB 4.22Å; F339-R341 HydrophobicContact CE2-CB 4.28Å; F339-T384 HydrophobicContact CB-CG2 3.6Å; F339-T384 HydrophobicContact CD2-CG2 3.75Å; F339-T384 HydrophobicContact CG-CG2 3.79Å; F339-I385 WeakPolarHBondContact CA-O 3.37Å; F339-W386 HydrophobicContact CB-CD2 4.05Å; F339-W386 HydrophobicContact CB-CE3 3.75Å; F339-W386 HydrophobicContact CB-CZ3 4.18Å; F339-W386 HydrophobicContact CD1-CE3 4.01Å; F339-W386 HydrophobicContact CD1-CH2 4.08Å; F339-W386 AromaticContact CD1-CZ3 3.56Å; F339-W386 HydrophobicContact CD1-CZ3 3.56Å; F339-W386 HydrophobicContact CE1-CZ3 4.35Å; F339-W386 HydrophobicContact CG-CE3 4.23Å; F339-W386 HydrophobicContact CG-CZ3 4.15Å
340	V	97.3	Very high	95.3	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	132.1	160.8	171.4	0	0	0	0	108.4	V330 V333 L342 I357 I385 W408 T416	V330-V340 HydrophobicContact CG1-CG1 4.45Å; V333-V340 HydrophobicContact CG1-CB 4.49Å; V333-V340 HydrophobicContact CG1-CG2 3.65Å; V333-V340 HydrophobicContact CG2-CG1 4.43Å; V333-V340 HydrophobicContact CG2-CG2 4.4Å; V340-L342 HydrophobicContact CG1-CD2 3.97Å; V340-I357 HydrophobicContact CG1-CD1 4.12Å; V340-I357 HydrophobicContact CG1-CG2 4.18Å; V340-I357 HydrophobicContact CG2-CG2 4.45Å; V340-I385 PolarHBondContact N-O 2.98Å; V340-I385 WeakPolarHBondContact O-CD1 3.13Å; V340-I385 PolarHBondContact O-N 2.96Å; V340-W408 HydrophobicContact CB-CH2 4.38Å; V340-W408 HydrophobicContact CB-CZ2 3.96Å; V340-W408 HydrophobicContact CG2-CD2 3.56Å; V340-W408 HydrophobicContact CG2-CE3 3.77Å; V340-W408 HydrophobicContact CG2-CG 4.11Å; V340-W408 HydrophobicContact CG2-CH2 3.97Å; V340-W408 HydrophobicContact CG2-CZ2 3.78Å; V340-W408 HydrophobicContact CG2-CZ3 3.97Å; V340-T416 HydrophobicContact CG1-CG2 3.91Å; V340-T416 HydrophobicContact CG2-CG2 3.87Å
341	R	97.7	Very high	95.2	Very high	58 Å²	58	57.7 Å²	57.7	22%	0.219	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	131.1	177.4	-169	173.8	-68.8	148.5	7.5	110.2	E331 E332 F339 V382 V383 T384	E331-R341 HydrophobicContact CB-CG 4.35Å; E331-R341 PolarHBondContact N-O 2.91Å; E332-R341 HydrophobicContact CB-CB 4.03Å; E332-R341 PolarHBondContact N-O 2.69Å; E332-R341 PolarHBondContact O-N 2.94Å; E332-R341 IonicContact OE1-CZ 2.65Å; E332-R341 IonicContact OE1-NH1 3.32Å; E332-R341 PolarHBondContact OE1-NH1 2.79Å; E332-R341 IonicContact OE2-CZ 2.74Å; E332-R341 IonicContact OE2-NH1 3.91Å; E332-R341 PolarHBondContact OE2-NH1 2.94Å; F339-R341 HydrophobicContact CD2-CB 4.22Å; F339-R341 HydrophobicContact CE2-CB 4.28Å; R341-V382 HydrophobicContact CG-CG1 3.48Å; R341-V382 VanDerWaalsContact CG-CG1 3.48Å; R341-V383 WeakPolarHBondContact CA-O 3.29Å; R341-T384 PolarHBondContact NE-OG1 3.41Å
342	L	97.9	Very high	95.2	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	146.5	175.3	-50.9	-177.6	0	0	0	110.1	V328 A329 V330 V340 M352 I357 F371 V382 V383 I385 L418	V328-L342 HydrophobicContact CG1-CB 3.96Å; V328-L342 HydrophobicContact CG1-CD1 4.4Å; A329-L342 VanDerWaalsContact O-CA 3.32Å; A329-L342 WeakPolarHBondContact O-CA 3.33Å; V330-L342 HydrophobicContact CB-CD2 4.2Å; V330-L342 HydrophobicContact CG1-CD2 4.35Å; V330-L342 HydrophobicContact CG2-CD2 3.87Å; V340-L342 HydrophobicContact CG1-CD2 3.97Å; L342-M352 HydrophobicContact CD1-CE 4.14Å; L342-I357 HydrophobicContact CD1-CD1 4.04Å; L342-I357 HydrophobicContact CD1-CG1 4.37Å; L342-I357 HydrophobicContact CG-CD1 4.41Å; L342-F371 HydrophobicContact CD1-CE2 3.92Å; L342-F371 HydrophobicContact CD1-CZ 3.61Å; L342-V382 CarbonylContact O-C 3.59Å; L342-V382 WeakPolarHBondContact O-CA 3.44Å; L342-V383 HydrophobicContact CB-CG1 3.92Å; L342-V383 HydrophobicContact CD1-CG1 4.44Å; L342-V383 HydrophobicContact CG-CG1 4.47Å; L342-V383 PolarHBondContact N-O 2.97Å; L342-V383 PolarHBondContact O-N 2.86Å; L342-I385 HydrophobicContact CD1-CD1 4.22Å; L342-I385 HydrophobicContact CG-CD1 4.01Å; L342-L418 HydrophobicContact CD1-CD1 3.68Å; L342-L418 HydrophobicContact CD1-CD2 4.06Å; L342-L418 HydrophobicContact CD1-CG 4.49Å; L342-L418 HydrophobicContact CD2-CD2 4.47Å
343	R	97.5	Very high	95.2	Very high	93 Å²	93	52.1 Å²	52.1	35%	0.351	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	131	174.2	-176.2	-176.6	-66.7	-109.2	11.8	111.2	V328 A329 E331 K345 Q381 V382	V328-R343 WeakPolarHBondContact CA-O 3.45Å; A329-R343 PolarHBondContact N-O 2.94Å; A329-R343 PolarHBondContact O-N 3Å; E331-R343 HydrophobicContact CB-CB 4.09Å; E331-R343 IonicContact OE1-CZ 2.69Å; E331-R343 IonicContact OE1-NE 3.03Å; E331-R343 PolarHBondContact OE1-NE 2.75Å; E331-R343 IonicContact OE1-NH2 3.2Å; E331-R343 PolarHBondContact OE1-NH2 2.73Å; E331-R343 IonicContact OE2-CZ 2.7Å; E331-R343 IonicContact OE2-NE 2.74Å; E331-R343 PolarHBondContact OE2-NE 3.31Å; E331-R343 IonicContact OE2-NH2 2.99Å; E331-R343 PolarHBondContact OE2-NH2 3.24Å; R343-K345 PolarHBondContact O-N 2.98Å; R343-Q381 WeakPolarHBondContact CA-O 3.26Å; R343-V382 HydrophobicContact CB-CG2 4.18Å; R343-V382 HydrophobicContact CG-CG2 3.94Å
344	N	97.4	Very high	95.2	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	111.8	162.7	-174.2	-7.9	0	0	0	108.8	R327 V328 S346 E348 L377 K378 G380 Q381	R327-N344 PolarHBondContact O-OD1 2.9Å; V328-N344 HydrophobicContact CG2-CB 4.08Å; N344-S346 VanDerWaalsContact C-N 3.33Å; N344-S346 WeakPolarHBondContact OD1-CB 3.4Å; N344-S346 PolarHBondContact OD1-N 2.88Å; N344-S346 PolarHBondContact OD1-OG 3.4Å; N344-E348 PolarHBondContact ND2-O 3.47Å; N344-L377 HydrophobicContact CB-CD2 3.97Å; N344-L377 HydrophobicContact CB-CG 4Å; N344-L377 PolarHBondContact ND2-O 3.45Å; N344-L377 VanDerWaalsContact ND2-O 3.08Å; N344-K378 VanDerWaalsContact CB-O 3.29Å; N344-K378 WeakPolarHBondContact CB-O 3.5Å; N344-K378 PolarHBondContact ND2-O 3.42Å; N344-G380 CarbonylContact O-C 3.59Å; N344-G380 WeakPolarHBondContact O-CA 3.24Å; N344-G380 PolarHBondContact O-N 3.45Å; N344-Q381 PolarHBondContact N-O 2.89Å
345	K	95.3	Very high	95.3	Very high	157 Å²	157	54.7 Å²	54.7	68%	0.683	27%	0.267	S	S	*	.			trans	-88.6	-0.1	178.8	-70.2	-170.2	173.2	-174.5	0	113	R327 A329 R343	R327-K345 PolarHBondContact O-N 3.47Å; A329-K345 HydrophobicContact CB-CD 3.98Å; A329-K345 HydrophobicContact CB-CG 4.32Å; R343-K345 PolarHBondContact O-N 2.98Å
346	S	94.4	Very high	95.7	Very high	23 Å²	23	52.5 Å²	52.5	16%	0.161	26%	0.256	C	S	.	.	S	Bend	trans	-97.3	164.4	178	77.1	0	0	0	0	113	N344 E348 A379 G380	N344-S346 VanDerWaalsContact C-N 3.33Å; N344-S346 WeakPolarHBondContact OD1-CB 3.4Å; N344-S346 PolarHBondContact OD1-N 2.88Å; N344-S346 PolarHBondContact OD1-OG 3.4Å; S346-E348 PolarHBondContact O-N 3.06Å; S346-E348 PolarHBondContact OG-N 2.82Å; S346-E348 PolarHBondContact OG-O 2.93Å; S346-E348 VanDerWaalsContact OG-O 3.05Å; S346-A379 WeakPolarHBondContact O-CA 3.41Å; S346-G380 PolarHBondContact O-N 2.94Å; S346-G380 VanDerWaalsContact O-N 3.1Å
347	N	94.8	Very high	96.1	Very high	143 Å²	143	46.4 Å²	46.4	77%	0.765	23%	0.228	S	C	*	.	S	Bend	trans	-82.6	8.8	172.9	61.9	-51.2	0	0	0	113.6	A379	N347-A379 VanDerWaalsContact C-CB 3.42Å
348	E	95.7	Very high	96.3	Very high	94 Å²	94	50.7 Å²	50.7	44%	0.439	24%	0.244	S	C	.	.	S	Bend	trans	-126.2	149.6	179.9	-71.6	-179.6	-122.7	0	0	111.5	R327 N344 S346	R327-E348 IonicContact CZ-OE1 2.63Å; R327-E348 IonicContact CZ-OE2 2.96Å; R327-E348 IonicContact NH1-OE2 3.99Å; R327-E348 PolarHBondContact NH1-OE2 3.18Å; R327-E348 IonicContact NH2-OE1 2.76Å; R327-E348 PolarHBondContact NH2-OE1 2.81Å; R327-E348 IonicContact NH2-OE2 3.8Å; R327-E348 PolarHBondContact NH2-OE2 3.3Å; N344-E348 PolarHBondContact ND2-O 3.47Å; S346-E348 PolarHBondContact O-N 3.06Å; S346-E348 PolarHBondContact OG-N 2.82Å; S346-E348 PolarHBondContact OG-O 2.93Å; S346-E348 VanDerWaalsContact OG-O 3.05Å
349	D	96.8	Very high	96.3	Very high	84 Å²	84	47 Å²	47	45%	0.449	23%	0.228	S	C	.	.			trans	-66.2	135.8	174.8	-75.5	12	0	0	0	111.3	T376 K378 A379	D349-T376 HydrophobicContact CB-CG2 4.01Å; D349-K378 WeakPolarHBondContact OD1-CA 3.31Å; D349-K378 WeakPolarHBondContact OD1-CB 3.34Å; D349-A379 PolarHBondContact OD1-N 2.93Å
350	Q	96.1	Very high	96.1	Very high	38 Å²	38	48.9 Å²	48.9	18%	0.178	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	112.5	175.6	178.6	68.4	72	0	0	109.9	V328 M352 W355 T376 L377	V328-Q350 HydrophobicContact CG2-CB 3.89Å; V328-Q350 HydrophobicContact CG2-CG 3.75Å; Q350-M352 HydrophobicContact CG-CG 3.69Å; Q350-M352 HydrophobicContact CG-SD 4.48Å; Q350-M352 PolarHBondContact O-N 3.24Å; Q350-W355 HydrophobicContact CG-CH2 3.84Å; Q350-W355 HydrophobicContact CG-CZ2 4.22Å; Q350-W355 HydrophobicContact CG-CZ3 4.44Å; Q350-T376 WeakPolarHBondContact O-CA 3.21Å; Q350-L377 PolarHBondContact N-O 2.89Å; Q350-L377 PolarHBondContact O-N 2.81Å
351	S	96.3	Very high	95.8	Very high	66 Å²	66	49.1 Å²	49.1	46%	0.462	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	126.6	163	-171	0	0	0	0	109.3
352	M	95.2	Very high	95.3	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.243	C	C	.	.			trans	-119.7	29.6	176.6	-60.4	-160.7	-54.2	0	0	111.3	V328 L342 Q350 N354 W355 F371 F375 L377 L418	V328-M352 HydrophobicContact CB-SD 4.14Å; V328-M352 HydrophobicContact CG1-SD 3.94Å; V328-M352 HydrophobicContact CG2-SD 3.87Å; L342-M352 HydrophobicContact CD1-CE 4.14Å; Q350-M352 HydrophobicContact CG-CG 3.69Å; Q350-M352 HydrophobicContact CG-SD 4.48Å; Q350-M352 PolarHBondContact O-N 3.24Å; M352-N354 PolarHBondContact O-N 2.87Å; M352-W355 HydrophobicContact CB-CB 4.07Å; M352-W355 HydrophobicContact CB-CD2 3.68Å; M352-W355 HydrophobicContact CB-CE3 3.94Å; M352-W355 HydrophobicContact CB-CG 3.75Å; M352-W355 HydrophobicContact CG-CD2 3.72Å; M352-W355 HydrophobicContact CG-CE3 3.55Å; M352-W355 HydrophobicContact CG-CG 4.34Å; M352-W355 HydrophobicContact CG-CH2 4.16Å; M352-W355 HydrophobicContact CG-CZ2 4.32Å; M352-W355 HydrophobicContact CG-CZ3 3.78Å; M352-W355 WeakPolarHBondContact O-CB 3.23Å; M352-W355 PolarHBondContact O-N 3.5Å; M352-W355 VanDerWaalsContact O-N 3.09Å; M352-W355 HydrophobicContact SD-CD2 4.19Å; M352-W355 HydrophobicContact SD-CE3 3.43Å; M352-W355 HydrophobicContact SD-CH2 4.46Å; M352-W355 HydrophobicContact SD-CZ3 3.58Å; M352-W355 VanDerWaalsContact SD-CZ3 3.58Å; M352-F371 HydrophobicContact CE-CD1 4.39Å; M352-F371 HydrophobicContact CE-CD2 4.47Å; M352-F371 HydrophobicContact CE-CE1 3.91Å; M352-F371 HydrophobicContact CE-CE2 4Å; M352-F371 HydrophobicContact CE-CZ 3.71Å; M352-F371 WeakPolarHBondContact O-CB 3.26Å; M352-F375 CarbonylContact C-O 3.52Å; M352-F375 HydrophobicContact CB-CD1 4.31Å; M352-F375 HydrophobicContact CE-CD1 3.99Å; M352-F375 HydrophobicContact CE-CE1 3.74Å; M352-F375 PolarHBondContact N-O 3.33Å; M352-L377 HydrophobicContact CE-CB 4.09Å; M352-L377 HydrophobicContact CE-CD2 4.03Å; M352-L418 HydrophobicContact SD-CD2 4.45Å
353	G	94	Very high	94.7	Very high	10 Å²	10	56 Å²	56	10%	0.103	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	125	177.9	0	0	0	0	0	111.8	W355 P373 F375	G353-W355 PolarHBondContact O-N 3.08Å; G353-W355 VanDerWaalsContact O-N 3.14Å; G353-P373 WeakPolarHBondContact CA-O 3.48Å; G353-F375 PolarHBondContact N-O 3.13Å
354	N	94	Very high	94.3	Very high	71 Å²	71	55.5 Å²	55.5	38%	0.38	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.7	3.9	-177.6	-52.8	-55.2	0	0	0	116.8	M352 R370 F371 P373	M352-N354 PolarHBondContact O-N 2.87Å; N354-R370 WeakPolarHBondContact O-CG 3.34Å; N354-R370 PolarHBondContact O-NH1 3.42Å; N354-F371 WeakPolarHBondContact CA-O 3.37Å; N354-F371 PolarHBondContact N-O 2.94Å; N354-P373 WeakPolarHBondContact OD1-CG 3.45Å
355	W	97.5	Very high	93.9	Very high	17 Å²	17	60.9 Å²	60.9	6%	0.064	33%	0.326	C	S	.	.			trans	-58.7	157.1	174.6	-72.9	27.8	0	0	0	110.9	Q350 M352 G353 R370 F371 L418 I419 N420 V426	Q350-W355 HydrophobicContact CG-CH2 3.84Å; Q350-W355 HydrophobicContact CG-CZ2 4.22Å; Q350-W355 HydrophobicContact CG-CZ3 4.44Å; M352-W355 HydrophobicContact CB-CB 4.07Å; M352-W355 HydrophobicContact CB-CD2 3.68Å; M352-W355 HydrophobicContact CB-CE3 3.94Å; M352-W355 HydrophobicContact CB-CG 3.75Å; M352-W355 HydrophobicContact CG-CD2 3.72Å; M352-W355 HydrophobicContact CG-CE3 3.55Å; M352-W355 HydrophobicContact CG-CG 4.34Å; M352-W355 HydrophobicContact CG-CH2 4.16Å; M352-W355 HydrophobicContact CG-CZ2 4.32Å; M352-W355 HydrophobicContact CG-CZ3 3.78Å; M352-W355 WeakPolarHBondContact O-CB 3.23Å; M352-W355 PolarHBondContact O-N 3.5Å; M352-W355 VanDerWaalsContact O-N 3.09Å; M352-W355 HydrophobicContact SD-CD2 4.19Å; M352-W355 HydrophobicContact SD-CE3 3.43Å; M352-W355 HydrophobicContact SD-CH2 4.46Å; M352-W355 HydrophobicContact SD-CZ3 3.58Å; M352-W355 VanDerWaalsContact SD-CZ3 3.58Å; G353-W355 PolarHBondContact O-N 3.08Å; G353-W355 VanDerWaalsContact O-N 3.14Å; W355-R370 CarbonylContact O-C 3.6Å; W355-R370 WeakPolarHBondContact O-CA 3.26Å; W355-R370 WeakPolarHBondContact O-CG 3.25Å; W355-F371 HydrophobicContact CB-CD2 3.98Å; W355-F371 PolarHBondContact O-N 2.86Å; W355-L418 HydrophobicContact CE3-CD1 4.12Å; W355-L418 HydrophobicContact CE3-CD2 4.13Å; W355-L418 HydrophobicContact CE3-CG 4.04Å; W355-L418 HydrophobicContact CZ3-CD2 4.01Å; W355-L418 HydrophobicContact CZ3-CG 4.31Å; W355-I419 CarbonylContact C-O 3.59Å; W355-I419 WeakPolarHBondContact CA-O 3.2Å; W355-I419 WeakPolarHBondContact CB-O 3.5Å; W355-N420 HydrophobicContact CD2-CB 4.06Å; W355-N420 HydrophobicContact CG-CB 4.5Å; W355-N420 HydrophobicContact CH2-CB 4.44Å; W355-N420 HydrophobicContact CZ2-CB 3.91Å; W355-V426 HydrophobicContact CE3-CG2 4.22Å; W355-V426 HydrophobicContact CH2-CG2 4.19Å; W355-V426 HydrophobicContact CZ3-CG2 3.69Å
356	Q	97.4	Very high	93.8	Very high	28 Å²	28	57.6 Å²	57.6	13%	0.131	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	145.6	-178.5	-69.4	-174.7	-30	0	0	112.3	R358 T368 Y369 R370 I419	Q356-R358 HydrophobicContact CB-CG 4.5Å; Q356-R358 VanDerWaalsContact OE1-CZ 3.31Å; Q356-T368 HydrophobicContact CB-CG2 4.2Å; Q356-T368 HydrophobicContact CG-CG2 4.06Å; Q356-Y369 CarbonylContact C-O 3.56Å; Q356-Y369 WeakPolarHBondContact CA-O 3.14Å; Q356-R370 HydrophobicContact CG-CB 4.35Å; Q356-R370 HydrophobicContact CG-CG 4.2Å; Q356-I419 HydrophobicContact CB-CB 4.35Å; Q356-I419 PolarHBondContact N-O 2.8Å; Q356-I419 PolarHBondContact O-N 3.42Å
357	I	97.5	Very high	93.8	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	121.6	160.5	-53.7	171.6	0	0	0	106.5	V340 L342 T368 Y369 F371 I385 W408 T416 A417 L418	V340-I357 HydrophobicContact CG1-CD1 4.12Å; V340-I357 HydrophobicContact CG1-CG2 4.18Å; V340-I357 HydrophobicContact CG2-CG2 4.45Å; L342-I357 HydrophobicContact CD1-CD1 4.04Å; L342-I357 HydrophobicContact CD1-CG1 4.37Å; L342-I357 HydrophobicContact CG-CD1 4.41Å; I357-T368 WeakPolarHBondContact O-CA 2.81Å; I357-Y369 HydrophobicContact CD1-CD1 4.02Å; I357-Y369 HydrophobicContact CG1-CD1 4.29Å; I357-Y369 PolarHBondContact N-O 3.41Å; I357-Y369 PolarHBondContact O-N 2.88Å; I357-F371 HydrophobicContact CD1-CE2 3.94Å; I357-F371 HydrophobicContact CD1-CZ 3.99Å; I357-F371 HydrophobicContact CG1-CE2 3.83Å; I357-F371 HydrophobicContact CG1-CZ 4.4Å; I357-I385 HydrophobicContact CD1-CB 4.32Å; I357-I385 HydrophobicContact CD1-CD1 3.61Å; I357-I385 HydrophobicContact CD1-CG1 3.82Å; I357-W408 HydrophobicContact CB-CH2 3.84Å; I357-W408 HydrophobicContact CB-CZ3 4.25Å; I357-W408 HydrophobicContact CD1-CH2 4.11Å; I357-W408 HydrophobicContact CD1-CZ2 4.5Å; I357-W408 HydrophobicContact CG2-CH2 3.64Å; I357-W408 HydrophobicContact CG2-CZ3 3.73Å; I357-T416 HydrophobicContact CG2-CG2 3.62Å; I357-A417 CarbonylContact C-O 3.59Å; I357-A417 VanDerWaalsContact CA-O 3.31Å; I357-A417 WeakPolarHBondContact CA-O 3.25Å; I357-L418 HydrophobicContact CG1-CD1 4.03Å
358	R	96.6	Very high	93.9	Very high	90 Å²	90	53.2 Å²	53.2	34%	0.34	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	131.3	174.4	-58.3	-162.2	-166.3	150	7.7	110.3	Q356 L366 M367 T368 T416 A417 I419	Q356-R358 HydrophobicContact CB-CG 4.5Å; Q356-R358 VanDerWaalsContact OE1-CZ 3.31Å; R358-L366 HydrophobicContact CB-CD1 4.21Å; R358-M367 CarbonylContact C-O 3.57Å; R358-M367 VanDerWaalsContact CA-O 3.31Å; R358-M367 WeakPolarHBondContact CA-O 3.25Å; R358-T368 HydrophobicContact CG-CG2 4Å; R358-T416 CarbonylContact O-C 3.33Å; R358-T416 WeakPolarHBondContact O-CA 3.25Å; R358-A417 PolarHBondContact N-O 2.85Å; R358-A417 PolarHBondContact O-N 2.76Å; R358-I419 HydrophobicContact CB-CD1 4.43Å; R358-I419 HydrophobicContact CG-CD1 3.86Å
359	R	95.1	Very high	94	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	124	-175.9	170.2	71.4	164.7	-151.7	-13.5	109.7	D334 N361 M367 W408 G409 R415 T416	D334-R359 PolarHBondContact O-NH2 3.47Å; R359-N361 WeakPolarHBondContact CD-OD1 3.21Å; R359-N361 PolarHBondContact NE-OD1 3.22Å; R359-M367 HydrophobicContact CB-CB 4.28Å; R359-M367 PolarHBondContact N-O 3.5Å; R359-M367 PolarHBondContact O-N 3.02Å; R359-W408 HydrophobicContact CB-CE3 3.7Å; R359-W408 HydrophobicContact CB-CZ3 3.98Å; R359-W408 HydrophobicContact CG-CE3 4.02Å; R359-W408 VanDerWaalsContact CG-O 3.25Å; R359-W408 WeakPolarHBondContact CG-O 3.36Å; R359-W408 PolarHBondContact NE-O 3.17Å; R359-G409 PolarHBondContact NH2-O 3.5Å; R359-R415 CarbonylContact C-O 3.57Å; R359-R415 VanDerWaalsContact CA-O 3.31Å; R359-R415 WeakPolarHBondContact CA-O 3.46Å; R359-T416 VanDerWaalsContact CD-OG1 3.32Å; R359-T416 WeakPolarHBondContact CD-OG1 3.38Å; R359-T416 PolarHBondContact NH1-OG1 3.45Å; R359-T416 VanDerWaalsContact NH1-OG1 3.07Å
360	Q	94.3	Very high	94	Very high	55 Å²	55	52.3 Å²	52.3	26%	0.257	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	127.4	177.6	-173.6	63.2	32.3	0	0	108.9	G362 D364 L366 R415	Q360-G362 PolarHBondContact NE2-O 3.07Å; Q360-D364 PolarHBondContact NE2-O 3.27Å; Q360-L366 HydrophobicContact CB-CD1 3.94Å; Q360-L366 VanDerWaalsContact OE1-CD1 3.22Å; Q360-R415 HydrophobicContact CB-CB 4.41Å; Q360-R415 PolarHBondContact N-O 2.9Å; Q360-R415 PolarHBondContact O-N 3.39Å
361	N	91.1	Very high	94	Very high	5 Å²	5	50.6 Å²	50.6	3%	0.027	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	95.1	-178.3	-51.3	-48	0	0	0	108.6	R359 D363 D364 W408 G409 L414	R359-N361 WeakPolarHBondContact CD-OD1 3.21Å; R359-N361 PolarHBondContact NE-OD1 3.22Å; N361-D363 PolarHBondContact O-N 3.28Å; N361-D363 VanDerWaalsContact O-N 3.12Å; N361-D364 HydrophobicContact CB-CB 4.17Å; N361-D364 VanDerWaalsContact O-CB 3.26Å; N361-D364 WeakPolarHBondContact O-CB 3.38Å; N361-D364 PolarHBondContact O-N 2.79Å; N361-W408 PolarHBondContact ND2-O 3.28Å; N361-W408 PolarHBondContact OD1-O 3.46Å; N361-G409 WeakPolarHBondContact ND2-CA 3.18Å; N361-L414 HydrophobicContact CB-CD2 3.95Å; N361-L414 WeakPolarHBondContact OD1-CD2 3.31Å
362	G	86.1	Confident	93.9	Very high	30 Å²	30	50.5 Å²	50.5	31%	0.309	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.7	-121.6	-167.7	0	0	0	0	0	111	Q360 S413	Q360-G362 PolarHBondContact NE2-O 3.07Å; G362-S413 PolarHBondContact N-O 2.93Å
363	D	84.8	Confident	93.8	Very high	171 Å²	171	54.9 Å²	54.9	91%	0.914	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.2	6.7	-179.4	-54.9	-54	0	0	0	114	N361	N361-D363 PolarHBondContact O-N 3.28Å; N361-D363 VanDerWaalsContact O-N 3.12Å
364	D	89	Confident	93.8	Very high	83 Å²	83	63.9 Å²	63.9	44%	0.444	33%	0.333	S	S	.	.	S	Bend	trans	-59.9	155.5	177.7	-77.4	-15.7	0	0	0	112.9	Q360 N361 L366	Q360-D364 PolarHBondContact NE2-O 3.27Å; N361-D364 HydrophobicContact CB-CB 4.17Å; N361-D364 VanDerWaalsContact O-CB 3.26Å; N361-D364 WeakPolarHBondContact O-CB 3.38Å; N361-D364 PolarHBondContact O-N 2.79Å; D364-L366 PolarHBondContact O-N 2.83Å
365	P	90.7	Very high	93.9	Very high	114 Å²	114	61.3 Å²	61.3	74%	0.74	32%	0.318	S	S	*	.			trans	-55.7	128.9	173.1	-25.9	35.4	0	0	0	113.7	M367	P365-M367 WeakPolarHBondContact O-CG 3.49Å; P365-M367 PolarHBondContact O-N 3.12Å
366	L	92.5	Very high	93.8	Very high	87 Å²	87	63.2 Å²	63.2	46%	0.455	33%	0.332	S	S	.	.			trans	-58.9	107.9	-175.2	-176.4	70.1	0	0	0	112.9	R358 Q360 D364	R358-L366 HydrophobicContact CB-CD1 4.21Å; Q360-L366 HydrophobicContact CB-CD1 3.94Å; Q360-L366 VanDerWaalsContact OE1-CD1 3.22Å; D364-L366 PolarHBondContact O-N 2.83Å
367	M	94.9	Very high	93.8	Very high	24 Å²	24	61.9 Å²	61.9	12%	0.118	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	127.2	-178.2	-46.6	-169.1	76.6	0	0	110	R358 R359 P365 W402 Q405 T407	R358-M367 CarbonylContact C-O 3.57Å; R358-M367 VanDerWaalsContact CA-O 3.31Å; R358-M367 WeakPolarHBondContact CA-O 3.25Å; R359-M367 HydrophobicContact CB-CB 4.28Å; R359-M367 PolarHBondContact N-O 3.5Å; R359-M367 PolarHBondContact O-N 3.02Å; P365-M367 WeakPolarHBondContact O-CG 3.49Å; P365-M367 PolarHBondContact O-N 3.12Å; M367-W402 HydrophobicContact CB-CH2 3.9Å; M367-W402 HydrophobicContact CB-CZ3 4.27Å; M367-Q405 HydrophobicContact CE-CB 4.13Å; M367-Q405 VanDerWaalsContact CE-CD 3.47Å; M367-Q405 HydrophobicContact CE-CG 3.81Å; M367-Q405 VanDerWaalsContact CE-OE1 3.3Å; M367-T407 WeakPolarHBondContact CE-O 3.2Å
368	T	96.6	Very high	93.8	Very high	51 Å²	51	67.9 Å²	67.9	31%	0.313	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	109.8	-178.3	-60.9	0	0	0	0	113.3	Q356 I357 R358 W402	Q356-T368 HydrophobicContact CB-CG2 4.2Å; Q356-T368 HydrophobicContact CG-CG2 4.06Å; I357-T368 WeakPolarHBondContact O-CA 2.81Å; R358-T368 HydrophobicContact CG-CG2 4Å; T368-W402 VanDerWaalsContact C-CH2 3.44Å; T368-W402 WeakPolarHBondContact O-CZ2 3.46Å
369	Y	97	Very high	93.8	Very high	21 Å²	21	65.7 Å²	65.7	8%	0.082	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	149	166	177.6	-102.3	0	0	0	110.4	Q356 I357 F371 I385 L400 W402 W408	Q356-Y369 CarbonylContact C-O 3.56Å; Q356-Y369 WeakPolarHBondContact CA-O 3.14Å; I357-Y369 HydrophobicContact CD1-CD1 4.02Å; I357-Y369 HydrophobicContact CG1-CD1 4.29Å; I357-Y369 PolarHBondContact N-O 3.41Å; I357-Y369 PolarHBondContact O-N 2.88Å; Y369-F371 HydrophobicContact CD1-CD2 4.45Å; Y369-F371 HydrophobicContact CD1-CE2 4.39Å; Y369-F371 AromaticContact CE1-CD1 3.98Å; Y369-F371 HydrophobicContact CE1-CD1 3.98Å; Y369-F371 HydrophobicContact CE1-CD2 4.2Å; Y369-F371 HydrophobicContact CE1-CE1 4.04Å; Y369-F371 HydrophobicContact CE1-CE2 4.25Å; Y369-F371 HydrophobicContact CE1-CG 4.06Å; Y369-F371 HydrophobicContact CE1-CZ 4.15Å; Y369-I385 HydrophobicContact CD1-CG2 4.06Å; Y369-I385 HydrophobicContact CD2-CG2 4.08Å; Y369-I385 HydrophobicContact CE1-CG1 4.23Å; Y369-I385 HydrophobicContact CE1-CG2 3.95Å; Y369-I385 HydrophobicContact CE2-CG2 3.96Å; Y369-I385 HydrophobicContact CG-CG2 4.13Å; Y369-L400 WeakPolarHBondContact OH-CD1 3.39Å; Y369-W402 HydrophobicContact CD2-CB 3.93Å; Y369-W402 AromaticContact CD2-CD1 3.73Å; Y369-W402 AromaticContact CD2-CD2 3.84Å; Y369-W402 HydrophobicContact CD2-CD2 3.84Å; Y369-W402 HydrophobicContact CD2-CE3 4.49Å; Y369-W402 AromaticContact CD2-CG 3.57Å; Y369-W402 HydrophobicContact CD2-CG 3.57Å; Y369-W402 HydrophobicContact CE2-CB 4.2Å; Y369-W402 HydrophobicContact CE2-CG 4.22Å; Y369-W402 HydrophobicContact CG-CD2 4.42Å; Y369-W408 HydrophobicContact CG-CH2 4.42Å
370	R	96.6	Very high	93.8	Very high	137 Å²	137	67.8 Å²	67.8	52%	0.517	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	132.9	171.7	-168.5	-168.7	-71.6	-82.3	13.7	110.7	N354 W355 Q356	N354-R370 WeakPolarHBondContact O-CG 3.34Å; N354-R370 PolarHBondContact O-NH1 3.42Å; W355-R370 CarbonylContact O-C 3.6Å; W355-R370 WeakPolarHBondContact O-CA 3.26Å; W355-R370 WeakPolarHBondContact O-CG 3.25Å; Q356-R370 HydrophobicContact CG-CB 4.35Å; Q356-R370 HydrophobicContact CG-CG 4.2Å
371	F	96.6	Very high	93.9	Very high	2 Å²	2	66.9 Å²	66.9	1%	0.009	37%	0.37	C	S	.	.			trans	-70	145.1	173.8	-77	-82.3	0	0	0	112.4	L342 M352 N354 W355 I357 Y369 F375 I385 L400 L418	L342-F371 HydrophobicContact CD1-CE2 3.92Å; L342-F371 HydrophobicContact CD1-CZ 3.61Å; M352-F371 HydrophobicContact CE-CD1 4.39Å; M352-F371 HydrophobicContact CE-CD2 4.47Å; M352-F371 HydrophobicContact CE-CE1 3.91Å; M352-F371 HydrophobicContact CE-CE2 4Å; M352-F371 HydrophobicContact CE-CZ 3.71Å; M352-F371 WeakPolarHBondContact O-CB 3.26Å; N354-F371 WeakPolarHBondContact CA-O 3.37Å; N354-F371 PolarHBondContact N-O 2.94Å; W355-F371 HydrophobicContact CB-CD2 3.98Å; W355-F371 PolarHBondContact O-N 2.86Å; I357-F371 HydrophobicContact CD1-CE2 3.94Å; I357-F371 HydrophobicContact CD1-CZ 3.99Å; I357-F371 HydrophobicContact CG1-CE2 3.83Å; I357-F371 HydrophobicContact CG1-CZ 4.4Å; Y369-F371 HydrophobicContact CD1-CD2 4.45Å; Y369-F371 HydrophobicContact CD1-CE2 4.39Å; Y369-F371 AromaticContact CE1-CD1 3.98Å; Y369-F371 HydrophobicContact CE1-CD1 3.98Å; Y369-F371 HydrophobicContact CE1-CD2 4.2Å; Y369-F371 HydrophobicContact CE1-CE1 4.04Å; Y369-F371 HydrophobicContact CE1-CE2 4.25Å; Y369-F371 HydrophobicContact CE1-CG 4.06Å; Y369-F371 HydrophobicContact CE1-CZ 4.15Å; F371-F375 HydrophobicContact CB-CB 4.31Å; F371-F375 HydrophobicContact CD1-CB 4.3Å; F371-F375 AromaticContact CD1-CD1 3.39Å; F371-F375 HydrophobicContact CD1-CD1 3.39Å; F371-F375 AromaticContact CD1-CE1 3.79Å; F371-F375 HydrophobicContact CD1-CE1 3.79Å; F371-F375 AromaticContact CD1-CG 3.81Å; F371-F375 HydrophobicContact CD1-CG 3.81Å; F371-F375 AromaticContact CE1-CD1 3.78Å; F371-F375 HydrophobicContact CE1-CD1 3.78Å; F371-F375 AromaticContact CE1-CE1 3.67Å; F371-F375 HydrophobicContact CE1-CE1 3.67Å; F371-F375 HydrophobicContact CE1-CG 4.48Å; F371-F375 HydrophobicContact CE1-CZ 4.29Å; F371-F375 HydrophobicContact CG-CD1 4.23Å; F371-I385 HydrophobicContact CE1-CG1 4.39Å; F371-I385 HydrophobicContact CZ-CD1 4.04Å; F371-I385 HydrophobicContact CZ-CG1 4.18Å; F371-L400 HydrophobicContact CD1-CD1 3.91Å; F371-L400 HydrophobicContact CE1-CD1 3.65Å; F371-L418 HydrophobicContact CE2-CD1 4.14Å
372	P	94.5	Very high	94.2	Very high	65 Å²	65	68.3 Å²	68.3	42%	0.422	38%	0.379	S	S	.	.			trans	-55	148.3	172.3	-26.2	34.7	0	0	0	112.8	K374 F375	P372-K374 PolarHBondContact O-N 2.88Å; P372-F375 WeakPolarHBondContact O-CB 3.26Å; P372-F375 PolarHBondContact O-N 2.82Å
373	P	93.6	Very high	94.8	Very high	92 Å²	92	67 Å²	67	60%	0.597	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-20.5	-175	-25.5	32.5	0	0	0	115.9	G353 N354	G353-P373 WeakPolarHBondContact CA-O 3.48Å; N354-P373 WeakPolarHBondContact OD1-CG 3.45Å
374	K	93.2	Very high	95.4	Very high	199 Å²	199	59.3 Å²	59.3	87%	0.865	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.8	17.5	-179.4	-61	-174.2	177.9	-177.2	0	113.5	P372	P372-K374 PolarHBondContact O-N 2.88Å
375	F	96	Very high	95.8	Very high	17 Å²	17	55.4 Å²	55.4	8%	0.075	30%	0.303	C	S	.	.			trans	-77	128.5	179.9	-169.2	-98.8	0	0	0	111.8	M352 G353 F371 P372 L377 V383 P397 L400	M352-F375 CarbonylContact C-O 3.52Å; M352-F375 HydrophobicContact CB-CD1 4.31Å; M352-F375 HydrophobicContact CE-CD1 3.99Å; M352-F375 HydrophobicContact CE-CE1 3.74Å; M352-F375 PolarHBondContact N-O 3.33Å; G353-F375 PolarHBondContact N-O 3.13Å; F371-F375 HydrophobicContact CB-CB 4.31Å; F371-F375 HydrophobicContact CD1-CB 4.3Å; F371-F375 AromaticContact CD1-CD1 3.39Å; F371-F375 HydrophobicContact CD1-CD1 3.39Å; F371-F375 AromaticContact CD1-CE1 3.79Å; F371-F375 HydrophobicContact CD1-CE1 3.79Å; F371-F375 AromaticContact CD1-CG 3.81Å; F371-F375 HydrophobicContact CD1-CG 3.81Å; F371-F375 AromaticContact CE1-CD1 3.78Å; F371-F375 HydrophobicContact CE1-CD1 3.78Å; F371-F375 AromaticContact CE1-CE1 3.67Å; F371-F375 HydrophobicContact CE1-CE1 3.67Å; F371-F375 HydrophobicContact CE1-CG 4.48Å; F371-F375 HydrophobicContact CE1-CZ 4.29Å; F371-F375 HydrophobicContact CG-CD1 4.23Å; P372-F375 WeakPolarHBondContact O-CB 3.26Å; P372-F375 PolarHBondContact O-N 2.82Å; F375-L377 HydrophobicContact CE1-CB 4.21Å; F375-V383 HydrophobicContact CE1-CG1 4.36Å; F375-V383 HydrophobicContact CZ-CB 4.19Å; F375-V383 HydrophobicContact CZ-CG1 4.36Å; F375-V383 HydrophobicContact CZ-CG2 3.89Å; F375-P397 HydrophobicContact CE2-CB 4.02Å; F375-P397 WeakPolarHBondContact CZ-O 3.44Å; F375-L400 HydrophobicContact CD2-CD1 4.28Å; F375-L400 HydrophobicContact CE2-CD1 3.85Å; F375-L400 HydrophobicContact CE2-CD2 4.25Å; F375-L400 HydrophobicContact CE2-CG 4.49Å; F375-L400 HydrophobicContact CZ-CD1 4.04Å
376	T	96.5	Very high	96.1	Very high	57 Å²	57	52.5 Å²	52.5	35%	0.35	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	130.2	176.1	-64.1	0	0	0	0	108.6	D349 Q350	D349-T376 HydrophobicContact CB-CG2 4.01Å; Q350-T376 WeakPolarHBondContact O-CA 3.21Å
377	L	96.6	Very high	96.3	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	114.2	176.4	-173.3	64.3	0	0	0	108.6	V328 N344 Q350 M352 F375 Q381 V383	V328-L377 HydrophobicContact CG1-CD2 3.95Å; V328-L377 HydrophobicContact CG2-CD2 4.05Å; N344-L377 HydrophobicContact CB-CD2 3.97Å; N344-L377 HydrophobicContact CB-CG 4Å; N344-L377 PolarHBondContact ND2-O 3.45Å; N344-L377 VanDerWaalsContact ND2-O 3.08Å; Q350-L377 PolarHBondContact N-O 2.89Å; Q350-L377 PolarHBondContact O-N 2.81Å; M352-L377 HydrophobicContact CE-CB 4.09Å; M352-L377 HydrophobicContact CE-CD2 4.03Å; F375-L377 HydrophobicContact CE1-CB 4.21Å; L377-Q381 HydrophobicContact CD1-CB 3.83Å; L377-Q381 HydrophobicContact CD1-CG 3.8Å; L377-Q381 HydrophobicContact CG-CB 4.26Å; L377-V383 HydrophobicContact CD1-CB 3.85Å; L377-V383 HydrophobicContact CD1-CG1 3.74Å; L377-V383 HydrophobicContact CD2-CG1 3.95Å; L377-V383 HydrophobicContact CG-CG1 4.47Å
378	K	96.8	Very high	96.4	Very high	126 Å²	126	49.6 Å²	49.6	55%	0.548	27%	0.267	S	S	.	.			trans	-65.9	163.8	-172.8	-63.9	-167.7	171.5	-171.3	0	113.2	N344 D349 G380 Q381	N344-K378 VanDerWaalsContact CB-O 3.29Å; N344-K378 WeakPolarHBondContact CB-O 3.5Å; N344-K378 PolarHBondContact ND2-O 3.42Å; D349-K378 WeakPolarHBondContact OD1-CA 3.31Å; D349-K378 WeakPolarHBondContact OD1-CB 3.34Å; K378-G380 PolarHBondContact O-N 3.37Å; K378-Q381 HydrophobicContact CB-CB 4.01Å; K378-Q381 VanDerWaalsContact CB-OE1 3.31Å; K378-Q381 WeakPolarHBondContact O-CB 3.38Å; K378-Q381 PolarHBondContact O-N 2.98Å
379	A	96.5	Very high	96.1	Very high	43 Å²	43	49.4 Å²	49.4	36%	0.355	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-45.5	129.9	169.6	0	0	0	0	0	111.4	S346 N347 D349 Q381	S346-A379 WeakPolarHBondContact O-CA 3.41Å; N347-A379 VanDerWaalsContact C-CB 3.42Å; D349-A379 PolarHBondContact OD1-N 2.93Å; A379-Q381 PolarHBondContact O-N 3.42Å
380	G	95.2	Very high	95.9	Very high	44 Å²	44	50 Å²	50	45%	0.454	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	66	-6.9	-177.2	0	0	0	0	0	117.2	N344 S346 K378	N344-G380 CarbonylContact O-C 3.59Å; N344-G380 WeakPolarHBondContact O-CA 3.24Å; N344-G380 PolarHBondContact O-N 3.45Å; S346-G380 PolarHBondContact O-N 2.94Å; S346-G380 VanDerWaalsContact O-N 3.1Å; K378-G380 PolarHBondContact O-N 3.37Å
381	Q	96.8	Very high	95.7	Very high	36 Å²	36	46.8 Å²	46.8	17%	0.168	29%	0.293	C	S	.	.			trans	-74.6	146.1	-169.5	-167.4	-173.2	-10.2	0	0	112.9	R343 N344 L377 K378 A379	R343-Q381 WeakPolarHBondContact CA-O 3.26Å; N344-Q381 PolarHBondContact N-O 2.89Å; L377-Q381 HydrophobicContact CD1-CB 3.83Å; L377-Q381 HydrophobicContact CD1-CG 3.8Å; L377-Q381 HydrophobicContact CG-CB 4.26Å; K378-Q381 HydrophobicContact CB-CB 4.01Å; K378-Q381 VanDerWaalsContact CB-OE1 3.31Å; K378-Q381 WeakPolarHBondContact O-CB 3.38Å; K378-Q381 PolarHBondContact O-N 2.98Å; A379-Q381 PolarHBondContact O-N 3.42Å
382	V	97.5	Very high	95.5	Very high	36 Å²	36	48.1 Å²	48.1	22%	0.218	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	142.9	171.2	-178.8	0	0	0	0	110.5	R341 L342 R343	R341-V382 HydrophobicContact CG-CG1 3.48Å; R341-V382 VanDerWaalsContact CG-CG1 3.48Å; L342-V382 CarbonylContact O-C 3.59Å; L342-V382 WeakPolarHBondContact O-CA 3.44Å; R343-V382 HydrophobicContact CB-CG2 4.18Å; R343-V382 HydrophobicContact CG-CG2 3.94Å
383	V	97.8	Very high	95.5	Very high	1 Å²	1	50.2 Å²	50.2	1%	0.006	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	132.1	165.7	56.9	0	0	0	0	109.8	R341 L342 F375 L377 I385 P397 T398 L400	R341-V383 WeakPolarHBondContact CA-O 3.29Å; L342-V383 HydrophobicContact CB-CG1 3.92Å; L342-V383 HydrophobicContact CD1-CG1 4.44Å; L342-V383 HydrophobicContact CG-CG1 4.47Å; L342-V383 PolarHBondContact N-O 2.97Å; L342-V383 PolarHBondContact O-N 2.86Å; F375-V383 HydrophobicContact CE1-CG1 4.36Å; F375-V383 HydrophobicContact CZ-CB 4.19Å; F375-V383 HydrophobicContact CZ-CG1 4.36Å; F375-V383 HydrophobicContact CZ-CG2 3.89Å; L377-V383 HydrophobicContact CD1-CB 3.85Å; L377-V383 HydrophobicContact CD1-CG1 3.74Å; L377-V383 HydrophobicContact CD2-CG1 3.95Å; L377-V383 HydrophobicContact CG-CG1 4.47Å; V383-I385 HydrophobicContact CG1-CD1 4.22Å; V383-I385 HydrophobicContact CG2-CD1 4.2Å; V383-I385 HydrophobicContact CG2-CG1 4.48Å; V383-P397 WeakPolarHBondContact CG2-O 3.42Å; V383-T398 CarbonylContact C-O 3.53Å; V383-T398 WeakPolarHBondContact CA-O 3.32Å; V383-T398 WeakPolarHBondContact CG2-O 3.48Å; V383-L400 HydrophobicContact CG2-CD1 3.81Å; V383-L400 HydrophobicContact CG2-CG 3.85Å
384	T	97.9	Very high	95.5	Very high	11 Å²	11	49.9 Å²	49.9	7%	0.067	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	129.2	172.8	-52.5	0	0	0	0	109.2	F339 R341 W386 T398 L400	F339-T384 HydrophobicContact CB-CG2 3.6Å; F339-T384 HydrophobicContact CD2-CG2 3.75Å; F339-T384 HydrophobicContact CG-CG2 3.79Å; R341-T384 PolarHBondContact NE-OG1 3.41Å; T384-W386 HydrophobicContact CG2-CD2 3.91Å; T384-W386 VanDerWaalsContact CG2-CE2 3.45Å; T384-W386 HydrophobicContact CG2-CG 4.23Å; T384-W386 HydrophobicContact CG2-CZ2 3.8Å; T384-T398 PolarHBondContact N-O 2.81Å; T384-L400 PolarHBondContact O-N 2.82Å
385	I	97.8	Very high	95.6	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	100.1	178.1	-50.4	80.6	0	0	0	107.3	F339 V340 L342 I357 Y369 F371 V383 L400 W408	F339-I385 WeakPolarHBondContact CA-O 3.37Å; V340-I385 PolarHBondContact N-O 2.98Å; V340-I385 WeakPolarHBondContact O-CD1 3.13Å; V340-I385 PolarHBondContact O-N 2.96Å; L342-I385 HydrophobicContact CD1-CD1 4.22Å; L342-I385 HydrophobicContact CG-CD1 4.01Å; I357-I385 HydrophobicContact CD1-CB 4.32Å; I357-I385 HydrophobicContact CD1-CD1 3.61Å; I357-I385 HydrophobicContact CD1-CG1 3.82Å; Y369-I385 HydrophobicContact CD1-CG2 4.06Å; Y369-I385 HydrophobicContact CD2-CG2 4.08Å; Y369-I385 HydrophobicContact CE1-CG1 4.23Å; Y369-I385 HydrophobicContact CE1-CG2 3.95Å; Y369-I385 HydrophobicContact CE2-CG2 3.96Å; Y369-I385 HydrophobicContact CG-CG2 4.13Å; F371-I385 HydrophobicContact CE1-CG1 4.39Å; F371-I385 HydrophobicContact CZ-CD1 4.04Å; F371-I385 HydrophobicContact CZ-CG1 4.18Å; V383-I385 HydrophobicContact CG1-CD1 4.22Å; V383-I385 HydrophobicContact CG2-CD1 4.2Å; V383-I385 HydrophobicContact CG2-CG1 4.48Å; I385-L400 CarbonylContact C-O 3.6Å; I385-L400 VanDerWaalsContact CA-O 3.28Å; I385-L400 WeakPolarHBondContact CA-O 3.22Å; I385-L400 HydrophobicContact CG1-CB 4.36Å; I385-L400 HydrophobicContact CG1-CD1 4.45Å; I385-L400 HydrophobicContact CG2-CB 4.37Å; I385-W408 HydrophobicContact CB-CZ2 3.97Å; I385-W408 HydrophobicContact CG2-CZ2 3.73Å; I385-W408 PolarHBondContact O-NE1 2.76Å
386	W	97.9	Very high	95.4	Very high	53 Å²	53	46.2 Å²	46.2	20%	0.201	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	142.6	-176.8	-59.8	94.7	0	0	0	111	F339 T384 A390 A392 D399 L400 V401 W402	F339-W386 HydrophobicContact CB-CD2 4.05Å; F339-W386 HydrophobicContact CB-CE3 3.75Å; F339-W386 HydrophobicContact CB-CZ3 4.18Å; F339-W386 HydrophobicContact CD1-CE3 4.01Å; F339-W386 HydrophobicContact CD1-CH2 4.08Å; F339-W386 AromaticContact CD1-CZ3 3.56Å; F339-W386 HydrophobicContact CD1-CZ3 3.56Å; F339-W386 HydrophobicContact CE1-CZ3 4.35Å; F339-W386 HydrophobicContact CG-CE3 4.23Å; F339-W386 HydrophobicContact CG-CZ3 4.15Å; T384-W386 HydrophobicContact CG2-CD2 3.91Å; T384-W386 VanDerWaalsContact CG2-CE2 3.45Å; T384-W386 HydrophobicContact CG2-CG 4.23Å; T384-W386 HydrophobicContact CG2-CZ2 3.8Å; W386-A390 HydrophobicContact CE3-CB 3.97Å; W386-A392 HydrophobicContact CB-CB 3.83Å; W386-A392 HydrophobicContact CD2-CB 3.36Å; W386-A392 HydrophobicContact CE3-CB 3.78Å; W386-A392 HydrophobicContact CG-CB 3.39Å; W386-A392 HydrophobicContact CZ2-CB 4.46Å; W386-A392 HydrophobicContact CZ3-CB 4.47Å; W386-D399 PolarHBondContact NE1-OD1 3.03Å; W386-L400 PolarHBondContact N-O 3.21Å; W386-V401 HydrophobicContact CB-CG2 4.35Å; W386-W402 PolarHBondContact O-N 3.44Å
387	A	96.6	Very high	95.1	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.008	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	155.8	165.7	0	0	0	0	0	110.7	K338 G389 A390 N406 T407	K338-A387 PolarHBondContact O-N 3.33Å; A387-G389 VanDerWaalsContact C-N 3.26Å; A387-G389 PolarHBondContact O-N 3.43Å; A387-A390 WeakPolarHBondContact O-CB 3.21Å; A387-A390 PolarHBondContact O-N 2.86Å; A387-A390 VanDerWaalsContact O-N 3.1Å; A387-N406 WeakPolarHBondContact CB-O 3.25Å; A387-T407 VanDerWaalsContact CB-CA 3.43Å
388	S	95.5	Very high	95	Very high	49 Å²	49	49.5 Å²	49.5	34%	0.343	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-64.1	-30	-176.3	66.7	0	0	0	0	113.5	A390 Q405 N406	S388-A390 VanDerWaalsContact C-N 3.27Å; S388-A390 PolarHBondContact O-N 2.84Å; S388-Q405 PolarHBondContact N-O 3.48Å; S388-Q405 PolarHBondContact OG-O 3.12Å; S388-N406 WeakPolarHBondContact OG-CA 3.3Å; S388-N406 PolarHBondContact OG-OD1 2.96Å
389	G	92	Very high	95	Very high	47 Å²	47	45.4 Å²	45.4	49%	0.485	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-77	-7.9	177.1	0	0	0	0	0	114.5	A387 G391 N406	A387-G389 VanDerWaalsContact C-N 3.26Å; A387-G389 PolarHBondContact O-N 3.43Å; G389-G391 PolarHBondContact O-N 2.91Å; G389-N406 VanDerWaalsContact CA-O 3.28Å; G389-N406 WeakPolarHBondContact CA-O 3.35Å; G389-N406 WeakPolarHBondContact CA-OD1 3.2Å; G389-N406 PolarHBondContact N-O 2.9Å; G389-N406 PolarHBondContact N-OD1 2.85Å
390	A	93	Very high	95	Very high	34 Å²	34	43.6 Å²	43.6	28%	0.281	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-78.1	-4.6	178.6	0	0	0	0	0	113.8	K338 W386 A387 S388 A392	K338-A390 HydrophobicContact CB-CB 4.03Å; W386-A390 HydrophobicContact CE3-CB 3.97Å; A387-A390 WeakPolarHBondContact O-CB 3.21Å; A387-A390 PolarHBondContact O-N 2.86Å; A387-A390 VanDerWaalsContact O-N 3.1Å; S388-A390 VanDerWaalsContact C-N 3.27Å; S388-A390 PolarHBondContact O-N 2.84Å; A390-A392 PolarHBondContact O-N 2.88Å; A390-A392 VanDerWaalsContact O-N 3.12Å
391	G	91.7	Very high	95.1	Very high	69 Å²	69	42.6 Å²	42.6	71%	0.711	28%	0.281	S	S	*	.			trans	71	0.8	176.5	0	0	0	0	0	116	G389	G389-G391 PolarHBondContact O-N 2.91Å
392	A	92.5	Very high	95	Very high	30 Å²	30	42.2 Å²	42.2	25%	0.248	28%	0.279	C	S	.	.			trans	-69.3	144.4	-177.3	0	0	0	0	0	113.2	W386 A390 V401	W386-A392 HydrophobicContact CB-CB 3.83Å; W386-A392 HydrophobicContact CD2-CB 3.36Å; W386-A392 HydrophobicContact CE3-CB 3.78Å; W386-A392 HydrophobicContact CG-CB 3.39Å; W386-A392 HydrophobicContact CZ2-CB 4.46Å; W386-A392 HydrophobicContact CZ3-CB 4.47Å; A390-A392 PolarHBondContact O-N 2.88Å; A390-A392 VanDerWaalsContact O-N 3.12Å; A392-V401 WeakPolarHBondContact O-CG2 3.28Å
393	T	93.3	Very high	94.8	Very high	109 Å²	109	48.3 Å²	48.3	67%	0.669	30%	0.302	S	S	*	.			trans	-75.6	140.7	174.9	-57.6	0	0	0	0	111	S395	T393-S395 PolarHBondContact O-N 3.26Å
394	H	95	Very high	94.6	Very high	85 Å²	85	52 Å²	52	39%	0.394	33%	0.333	S	S	.	.			trans	-83.4	98.4	178.2	-172.4	26.7	0	0	0	111.4	P396 D399 V401	H394-P396 WeakPolarHBondContact O-CD 3.47Å; H394-D399 PolarHBondContact ND1-O 3.41Å; H394-V401 HydrophobicContact CB-CB 4.04Å; H394-V401 HydrophobicContact CB-CG2 3.71Å; H394-V401 PolarHBondContact ND1-N 3.37Å
395	S	94.1	Very high	94.3	Very high	58 Å²	58	55 Å²	55	41%	0.406	35%	0.346	S	S	.	.	B	Isolated β-bridge	trans	-122.6	78.5	-178.5	-57.7	0	0	0	0	111.7	T393 T398 D399	T393-S395 PolarHBondContact O-N 3.26Å; S395-T398 PolarHBondContact O-N 3.37Å; S395-T398 PolarHBondContact O-OG1 2.86Å; S395-D399 CarbonylContact C-O 3.54Å; S395-D399 PolarHBondContact N-O 2.9Å; S395-D399 PolarHBondContact O-N 2.67Å
396	P	91.7	Very high	94.1	Very high	82 Å²	82	60.3 Å²	60.3	53%	0.532	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	147	172.7	-21.3	32.8	0	0	0	112.2	H394 L400	H394-P396 WeakPolarHBondContact O-CD 3.47Å; P396-L400 HydrophobicContact CB-CD2 4.01Å; P396-L400 HydrophobicContact CG-CD2 4.06Å
397	P	91.9	Very high	93.9	Very high	64 Å²	64	60.4 Å²	60.4	42%	0.416	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	cis	-89.3	-5.7	4.5	34.9	-36.2	0	0	0	115.2	F375 V383	F375-P397 HydrophobicContact CE2-CB 4.02Å; F375-P397 WeakPolarHBondContact CZ-O 3.44Å; V383-P397 WeakPolarHBondContact CG2-O 3.42Å
398	T	93.9	Very high	93.8	Very high	61 Å²	61	60.4 Å²	60.4	37%	0.374	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-35.1	-174.9	53.3	0	0	0	0	113.3	V383 T384 S395	V383-T398 CarbonylContact C-O 3.53Å; V383-T398 WeakPolarHBondContact CA-O 3.32Å; V383-T398 WeakPolarHBondContact CG2-O 3.48Å; T384-T398 PolarHBondContact N-O 2.81Å; S395-T398 PolarHBondContact O-N 3.37Å; S395-T398 PolarHBondContact O-OG1 2.86Å
399	D	96.5	Very high	93.5	Very high	41 Å²	41	58.4 Å²	58.4	22%	0.219	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	100.9	-169.4	-64.9	-83.6	0	0	0	111.6	W386 H394 S395	W386-D399 PolarHBondContact NE1-OD1 3.03Å; H394-D399 PolarHBondContact ND1-O 3.41Å; S395-D399 CarbonylContact C-O 3.54Å; S395-D399 PolarHBondContact N-O 2.9Å; S395-D399 PolarHBondContact O-N 2.67Å
400	L	96.8	Very high	93.3	Very high	5 Å²	5	59.8 Å²	59.8	3%	0.026	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	125.9	-178.4	-54.1	-177.6	0	0	0	109.3	Y369 F371 F375 V383 T384 I385 W386 P396	Y369-L400 WeakPolarHBondContact OH-CD1 3.39Å; F371-L400 HydrophobicContact CD1-CD1 3.91Å; F371-L400 HydrophobicContact CE1-CD1 3.65Å; F375-L400 HydrophobicContact CD2-CD1 4.28Å; F375-L400 HydrophobicContact CE2-CD1 3.85Å; F375-L400 HydrophobicContact CE2-CD2 4.25Å; F375-L400 HydrophobicContact CE2-CG 4.49Å; F375-L400 HydrophobicContact CZ-CD1 4.04Å; V383-L400 HydrophobicContact CG2-CD1 3.81Å; V383-L400 HydrophobicContact CG2-CG 3.85Å; T384-L400 PolarHBondContact O-N 2.82Å; I385-L400 CarbonylContact C-O 3.6Å; I385-L400 VanDerWaalsContact CA-O 3.28Å; I385-L400 WeakPolarHBondContact CA-O 3.22Å; I385-L400 HydrophobicContact CG1-CB 4.36Å; I385-L400 HydrophobicContact CG1-CD1 4.45Å; I385-L400 HydrophobicContact CG2-CB 4.37Å; W386-L400 PolarHBondContact N-O 3.21Å; P396-L400 HydrophobicContact CB-CD2 4.01Å; P396-L400 HydrophobicContact CG-CD2 4.06Å
401	V	96.6	Very high	92.9	Very high	23 Å²	23	60 Å²	60	14%	0.139	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	120.6	177.6	177.7	0	0	0	0	109.6	W386 A392 H394 K403	W386-V401 HydrophobicContact CB-CG2 4.35Å; A392-V401 WeakPolarHBondContact O-CG2 3.28Å; H394-V401 HydrophobicContact CB-CB 4.04Å; H394-V401 HydrophobicContact CB-CG2 3.71Å; H394-V401 PolarHBondContact ND1-N 3.37Å; V401-K403 VanDerWaalsContact C-N 3.3Å; V401-K403 HydrophobicContact CG1-CG 4.33Å; V401-K403 PolarHBondContact O-N 2.8Å
402	W	95.9	Very high	92.6	Very high	28 Å²	28	60.4 Å²	60.4	11%	0.106	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	79.1	175.3	-170.3	11.5	0	0	0	110.5	M367 T368 Y369 W386 A404 Q405 W408	M367-W402 HydrophobicContact CB-CH2 3.9Å; M367-W402 HydrophobicContact CB-CZ3 4.27Å; T368-W402 VanDerWaalsContact C-CH2 3.44Å; T368-W402 WeakPolarHBondContact O-CZ2 3.46Å; Y369-W402 HydrophobicContact CD2-CB 3.93Å; Y369-W402 AromaticContact CD2-CD1 3.73Å; Y369-W402 AromaticContact CD2-CD2 3.84Å; Y369-W402 HydrophobicContact CD2-CD2 3.84Å; Y369-W402 HydrophobicContact CD2-CE3 4.49Å; Y369-W402 AromaticContact CD2-CG 3.57Å; Y369-W402 HydrophobicContact CD2-CG 3.57Å; Y369-W402 HydrophobicContact CE2-CB 4.2Å; Y369-W402 HydrophobicContact CE2-CG 4.22Å; Y369-W402 HydrophobicContact CG-CD2 4.42Å; W386-W402 PolarHBondContact O-N 3.44Å; W402-A404 PolarHBondContact O-N 2.9Å; W402-Q405 HydrophobicContact CD2-CB 3.76Å; W402-Q405 HydrophobicContact CD2-CG 3.91Å; W402-Q405 HydrophobicContact CE3-CB 3.81Å; W402-Q405 HydrophobicContact CE3-CG 4.06Å; W402-Q405 HydrophobicContact CG-CB 4.3Å; W402-Q405 HydrophobicContact CH2-CB 4.31Å; W402-Q405 HydrophobicContact CH2-CG 3.65Å; W402-Q405 HydrophobicContact CZ2-CB 4.25Å; W402-Q405 HydrophobicContact CZ2-CG 3.46Å; W402-Q405 VanDerWaalsContact CZ2-CG 3.46Å; W402-Q405 HydrophobicContact CZ3-CB 4.09Å; W402-Q405 HydrophobicContact CZ3-CG 3.94Å; W402-Q405 PolarHBondContact O-N 2.76Å; W402-W408 HydrophobicContact CE3-CD2 4.23Å; W402-W408 HydrophobicContact CE3-CE3 4.24Å; W402-W408 AromaticContact CE3-CH2 3.88Å; W402-W408 HydrophobicContact CE3-CH2 3.88Å; W402-W408 AromaticContact CE3-CZ2 3.85Å; W402-W408 HydrophobicContact CE3-CZ2 3.85Å; W402-W408 HydrophobicContact CE3-CZ3 4.08Å; W402-W408 HydrophobicContact CH2-CZ3 4.44Å; W402-W408 HydrophobicContact CZ3-CD2 4.12Å; W402-W408 AromaticContact CZ3-CE3 3.71Å; W402-W408 HydrophobicContact CZ3-CE3 3.71Å; W402-W408 AromaticContact CZ3-CH2 3.79Å; W402-W408 HydrophobicContact CZ3-CH2 3.79Å; W402-W408 HydrophobicContact CZ3-CZ2 4.18Å; W402-W408 AromaticContact CZ3-CZ3 3.54Å; W402-W408 HydrophobicContact CZ3-CZ3 3.54Å
403	K	93	Very high	92.4	Very high	163 Å²	163	60.6 Å²	60.6	71%	0.709	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-11	-176.4	-60.2	-174.2	180	-175.4	0	116.3	V401	V401-K403 VanDerWaalsContact C-N 3.3Å; V401-K403 HydrophobicContact CG1-CG 4.33Å; V401-K403 PolarHBondContact O-N 2.8Å
404	A	92.4	Very high	92.4	Very high	79 Å²	79	55.4 Å²	55.4	65%	0.653	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.5	-0.3	-177.6	0	0	0	0	0	113.9	W402	W402-A404 PolarHBondContact O-N 2.9Å
405	Q	91.9	Very high	92.4	Very high	75 Å²	75	55.9 Å²	55.9	35%	0.35	33%	0.332	S	S	.	.			trans	-139.6	127.6	177.3	-74.8	-62.7	-10.3	0	0	111.7	M367 S388 W402	M367-Q405 HydrophobicContact CE-CB 4.13Å; M367-Q405 VanDerWaalsContact CE-CD 3.47Å; M367-Q405 HydrophobicContact CE-CG 3.81Å; M367-Q405 VanDerWaalsContact CE-OE1 3.3Å; S388-Q405 PolarHBondContact N-O 3.48Å; S388-Q405 PolarHBondContact OG-O 3.12Å; W402-Q405 HydrophobicContact CD2-CB 3.76Å; W402-Q405 HydrophobicContact CD2-CG 3.91Å; W402-Q405 HydrophobicContact CE3-CB 3.81Å; W402-Q405 HydrophobicContact CE3-CG 4.06Å; W402-Q405 HydrophobicContact CG-CB 4.3Å; W402-Q405 HydrophobicContact CH2-CB 4.31Å; W402-Q405 HydrophobicContact CH2-CG 3.65Å; W402-Q405 HydrophobicContact CZ2-CB 4.25Å; W402-Q405 HydrophobicContact CZ2-CG 3.46Å; W402-Q405 VanDerWaalsContact CZ2-CG 3.46Å; W402-Q405 HydrophobicContact CZ3-CB 4.09Å; W402-Q405 HydrophobicContact CZ3-CG 3.94Å; W402-Q405 PolarHBondContact O-N 2.76Å
406	N	94	Very high	92.5	Very high	111 Å²	111	53.1 Å²	53.1	59%	0.594	31%	0.313	S	S	*	.	S	Bend	trans	-76.4	-24.1	-174.6	-158.1	51.1	0	0	0	113.5	A387 S388 G389	A387-N406 WeakPolarHBondContact CB-O 3.25Å; S388-N406 WeakPolarHBondContact OG-CA 3.3Å; S388-N406 PolarHBondContact OG-OD1 2.96Å; G389-N406 VanDerWaalsContact CA-O 3.28Å; G389-N406 WeakPolarHBondContact CA-O 3.35Å; G389-N406 WeakPolarHBondContact CA-OD1 3.2Å; G389-N406 PolarHBondContact N-O 2.9Å; G389-N406 PolarHBondContact N-OD1 2.85Å
407	T	94.3	Very high	92.8	Very high	55 Å²	55	49.3 Å²	49.3	34%	0.337	29%	0.288	S	S	.	.			trans	-146.7	162.2	175.3	-179.2	0	0	0	0	109.7	G337 M367 A387 G409	G337-T407 PolarHBondContact O-OG1 2.98Å; M367-T407 WeakPolarHBondContact CE-O 3.2Å; A387-T407 VanDerWaalsContact CB-CA 3.43Å; T407-G409 VanDerWaalsContact C-N 3.26Å; T407-G409 PolarHBondContact OG1-N 3.34Å
408	W	94.6	Very high	93.1	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	27%	0.269	C	S	.	.			trans	-82.9	-3.5	160.8	-73.7	96.7	0	0	0	112.9	G337 V340 I357 R359 N361 Y369 I385 W402	G337-W408 WeakPolarHBondContact O-CB 3.46Å; G337-W408 PolarHBondContact O-N 2.87Å; V340-W408 HydrophobicContact CB-CH2 4.38Å; V340-W408 HydrophobicContact CB-CZ2 3.96Å; V340-W408 HydrophobicContact CG2-CD2 3.56Å; V340-W408 HydrophobicContact CG2-CE3 3.77Å; V340-W408 HydrophobicContact CG2-CG 4.11Å; V340-W408 HydrophobicContact CG2-CH2 3.97Å; V340-W408 HydrophobicContact CG2-CZ2 3.78Å; V340-W408 HydrophobicContact CG2-CZ3 3.97Å; I357-W408 HydrophobicContact CB-CH2 3.84Å; I357-W408 HydrophobicContact CB-CZ3 4.25Å; I357-W408 HydrophobicContact CD1-CH2 4.11Å; I357-W408 HydrophobicContact CD1-CZ2 4.5Å; I357-W408 HydrophobicContact CG2-CH2 3.64Å; I357-W408 HydrophobicContact CG2-CZ3 3.73Å; R359-W408 HydrophobicContact CB-CE3 3.7Å; R359-W408 HydrophobicContact CB-CZ3 3.98Å; R359-W408 HydrophobicContact CG-CE3 4.02Å; R359-W408 VanDerWaalsContact CG-O 3.25Å; R359-W408 WeakPolarHBondContact CG-O 3.36Å; R359-W408 PolarHBondContact NE-O 3.17Å; N361-W408 PolarHBondContact ND2-O 3.28Å; N361-W408 PolarHBondContact OD1-O 3.46Å; Y369-W408 HydrophobicContact CG-CH2 4.42Å; I385-W408 HydrophobicContact CB-CZ2 3.97Å; I385-W408 HydrophobicContact CG2-CZ2 3.73Å; I385-W408 PolarHBondContact O-NE1 2.76Å; W402-W408 HydrophobicContact CE3-CD2 4.23Å; W402-W408 HydrophobicContact CE3-CE3 4.24Å; W402-W408 AromaticContact CE3-CH2 3.88Å; W402-W408 HydrophobicContact CE3-CH2 3.88Å; W402-W408 AromaticContact CE3-CZ2 3.85Å; W402-W408 HydrophobicContact CE3-CZ2 3.85Å; W402-W408 HydrophobicContact CE3-CZ3 4.08Å; W402-W408 HydrophobicContact CH2-CZ3 4.44Å; W402-W408 HydrophobicContact CZ3-CD2 4.12Å; W402-W408 AromaticContact CZ3-CE3 3.71Å; W402-W408 HydrophobicContact CZ3-CE3 3.71Å; W402-W408 AromaticContact CZ3-CH2 3.79Å; W402-W408 HydrophobicContact CZ3-CH2 3.79Å; W402-W408 HydrophobicContact CZ3-CZ2 4.18Å; W402-W408 AromaticContact CZ3-CZ3 3.54Å; W402-W408 HydrophobicContact CZ3-CZ3 3.54Å
409	G	89.1	Confident	93.2	Very high	7 Å²	7	43.9 Å²	43.9	7%	0.072	25%	0.253	C	S	.	.			trans	77.4	152	-178.5	0	0	0	0	0	114.1	R359 N361 T407	R359-G409 PolarHBondContact NH2-O 3.5Å; N361-G409 WeakPolarHBondContact ND2-CA 3.18Å; T407-G409 VanDerWaalsContact C-N 3.26Å; T407-G409 PolarHBondContact OG1-N 3.34Å
410	C	87.1	Confident	93.1	Very high	77 Å²	77	43 Å²	43	52%	0.52	25%	0.249	S	C	.	.			trans	-121.6	174.5	-178.9	62.9	0	0	0	0	109.9	E335	E335-C410 VanDerWaalsContact O-CB 3.29Å; E335-C410 WeakPolarHBondContact O-CB 3.39Å
411	G	85.1	Confident	93	Very high	37 Å²	37	47 Å²	47	38%	0.381	28%	0.277	S	S	.	.	S	Bend	trans	144.3	-174.2	-176.4	0	0	0	0	0	113.9
412	S	84.2	Confident	92.7	Very high	79 Å²	79	51 Å²	51	55%	0.552	30%	0.302	S	S	*	.	S	Bend	trans	-82	-25.8	-172.9	56.9	0	0	0	0	114.8	V432 R433	S412-V432 CarbonylContact O-C 3.57Å; S412-V432 WeakPolarHBondContact O-CA 3.44Å; S412-R433 PolarHBondContact O-N 3.09Å
413	S	89.6	Confident	92.6	Very high	33 Å²	33	52 Å²	52	23%	0.231	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	108.4	178.7	167	0	0	0	0	110.4	G362 K430	G362-S413 PolarHBondContact N-O 2.93Å; S413-K430 WeakPolarHBondContact OG-CE 3.31Å; S413-K430 PolarHBondContact OG-NZ 2.86Å
414	L	92.5	Very high	92.6	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	115.9	-169.5	-54.6	173.1	0	0	0	109.4	F318 N361 K430 L431	F318-L414 HydrophobicContact CE1-CD1 3.88Å; F318-L414 HydrophobicContact CE1-CG 4.45Å; F318-L414 HydrophobicContact CZ-CD1 3.88Å; N361-L414 HydrophobicContact CB-CD2 3.95Å; N361-L414 WeakPolarHBondContact OD1-CD2 3.31Å; L414-K430 CarbonylContact O-C 3.45Å; L414-K430 VanDerWaalsContact O-CA 3.23Å; L414-K430 WeakPolarHBondContact O-CA 3.16Å; L414-K430 WeakPolarHBondContact O-CG 3.46Å; L414-L431 HydrophobicContact CB-CB 4.32Å; L414-L431 HydrophobicContact CB-CD1 4.49Å; L414-L431 PolarHBondContact N-O 3.48Å; L414-L431 PolarHBondContact O-N 3.47Å
415	R	95.2	Very high	92.8	Very high	95 Å²	95	50.1 Å²	50.1	36%	0.358	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	116.6	179.8	-172.3	-171.5	-168.1	-83.9	-2.8	110.5	R359 Q360 E425 M428 K430	R359-R415 CarbonylContact C-O 3.57Å; R359-R415 VanDerWaalsContact CA-O 3.31Å; R359-R415 WeakPolarHBondContact CA-O 3.46Å; Q360-R415 HydrophobicContact CB-CB 4.41Å; Q360-R415 PolarHBondContact N-O 2.9Å; Q360-R415 PolarHBondContact O-N 3.39Å; R415-E425 IonicContact CZ-OE1 3.44Å; R415-E425 IonicContact CZ-OE2 2.93Å; R415-E425 VanDerWaalsContact CZ-OE2 3.26Å; R415-E425 IonicContact NH1-OE1 3.3Å; R415-E425 IonicContact NH1-OE2 3.69Å; R415-E425 PolarHBondContact NH1-OE2 3.13Å; R415-E425 IonicContact NH2-OE1 3.28Å; R415-E425 PolarHBondContact NH2-OE1 2.86Å; R415-E425 IonicContact NH2-OE2 3.93Å; R415-E425 PolarHBondContact NH2-OE2 3.13Å; R415-M428 HydrophobicContact CG-CG 4.22Å; R415-M428 HydrophobicContact CG-SD 4.09Å; R415-K430 HydrophobicContact CB-CG 4.36Å
416	T	96.8	Very high	93	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	123	174.3	-52.3	0	0	0	0	109.8	V330 V333 V340 I357 R358 R359 M428 R429	V330-T416 HydrophobicContact CG1-CG2 4.45Å; V333-T416 HydrophobicContact CG2-CG2 4.18Å; V340-T416 HydrophobicContact CG1-CG2 3.91Å; V340-T416 HydrophobicContact CG2-CG2 3.87Å; I357-T416 HydrophobicContact CG2-CG2 3.62Å; R358-T416 CarbonylContact O-C 3.33Å; R358-T416 WeakPolarHBondContact O-CA 3.25Å; R359-T416 VanDerWaalsContact CD-OG1 3.32Å; R359-T416 WeakPolarHBondContact CD-OG1 3.38Å; R359-T416 PolarHBondContact NH1-OG1 3.45Å; R359-T416 VanDerWaalsContact NH1-OG1 3.07Å; T416-M428 CarbonylContact O-C 3.54Å; T416-M428 VanDerWaalsContact O-CA 3.26Å; T416-M428 WeakPolarHBondContact O-CA 3.33Å; T416-R429 PolarHBondContact N-O 2.84Å; T416-R429 PolarHBondContact O-N 3.37Å
417	A	97	Very high	93.1	Very high	2 Å²	2	42.2 Å²	42.2	2%	0.017	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	139.5	177	0	0	0	0	0	111.3	I357 R358 E425 A427 M428	I357-A417 CarbonylContact C-O 3.59Å; I357-A417 VanDerWaalsContact CA-O 3.31Å; I357-A417 WeakPolarHBondContact CA-O 3.25Å; R358-A417 PolarHBondContact N-O 2.85Å; R358-A417 PolarHBondContact O-N 2.76Å; A417-E425 HydrophobicContact CB-CG 4.05Å; A417-E425 VanDerWaalsContact CB-OE2 3.24Å; A417-E425 WeakPolarHBondContact CB-OE2 3.37Å; A417-A427 CarbonylContact C-O 3.47Å; A417-A427 WeakPolarHBondContact CA-O 3.37Å; A417-M428 HydrophobicContact CB-CG 4.44Å
418	L	97.9	Very high	93.2	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	123.9	169.4	-177.4	64.4	0	0	0	108.3	V328 V330 L342 M352 W355 I357 F371 E425 V426 A427	V328-L418 HydrophobicContact CB-CD2 3.99Å; V328-L418 HydrophobicContact CG1-CD2 3.63Å; V330-L418 HydrophobicContact CG2-CB 4.31Å; L342-L418 HydrophobicContact CD1-CD1 3.68Å; L342-L418 HydrophobicContact CD1-CD2 4.06Å; L342-L418 HydrophobicContact CD1-CG 4.49Å; L342-L418 HydrophobicContact CD2-CD2 4.47Å; M352-L418 HydrophobicContact SD-CD2 4.45Å; W355-L418 HydrophobicContact CE3-CD1 4.12Å; W355-L418 HydrophobicContact CE3-CD2 4.13Å; W355-L418 HydrophobicContact CE3-CG 4.04Å; W355-L418 HydrophobicContact CZ3-CD2 4.01Å; W355-L418 HydrophobicContact CZ3-CG 4.31Å; I357-L418 HydrophobicContact CG1-CD1 4.03Å; F371-L418 HydrophobicContact CE2-CD1 4.14Å; L418-E425 CarbonylContact O-C 3.59Å; L418-V426 HydrophobicContact CB-CG2 4.33Å; L418-V426 HydrophobicContact CD2-CG2 4.11Å; L418-V426 HydrophobicContact CG-CG2 3.91Å; L418-V426 WeakPolarHBondContact O-CG2 3.35Å; L418-V426 PolarHBondContact O-N 3.35Å; L418-A427 HydrophobicContact CB-CB 4.15Å; L418-A427 HydrophobicContact CD2-CB 4.45Å; L418-A427 PolarHBondContact N-O 2.89Å; L418-A427 PolarHBondContact O-N 3.41Å
419	I	96.9	Very high	93.3	Very high	11 Å²	11	42.2 Å²	42.2	6%	0.056	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	131.8	-174.2	-60.6	179.8	0	0	0	108.8	W355 Q356 R358 G423 E424	W355-I419 CarbonylContact C-O 3.59Å; W355-I419 WeakPolarHBondContact CA-O 3.2Å; W355-I419 WeakPolarHBondContact CB-O 3.5Å; Q356-I419 HydrophobicContact CB-CB 4.35Å; Q356-I419 PolarHBondContact N-O 2.8Å; Q356-I419 PolarHBondContact O-N 3.42Å; R358-I419 HydrophobicContact CB-CD1 4.43Å; R358-I419 HydrophobicContact CG-CD1 3.86Å; I419-G423 VanDerWaalsContact CG2-C 3.41Å; I419-G423 WeakPolarHBondContact CG2-O 3.33Å; I419-E424 VanDerWaalsContact CA-O 3.28Å; I419-E424 WeakPolarHBondContact CA-O 3.43Å
420	N	95.2	Very high	93.5	Very high	23 Å²	23	45.5 Å²	45.5	12%	0.123	27%	0.269	C	S	.	.			trans	-79	-174.1	-177.6	68.9	7.8	0	0	0	112.8	W355 T422 G423 E424 V426	W355-N420 HydrophobicContact CD2-CB 4.06Å; W355-N420 HydrophobicContact CG-CB 4.5Å; W355-N420 HydrophobicContact CH2-CB 4.44Å; W355-N420 HydrophobicContact CZ2-CB 3.91Å; N420-T422 VanDerWaalsContact C-N 3.31Å; N420-T422 PolarHBondContact ND2-OG1 3.11Å; N420-T422 PolarHBondContact O-N 3.46Å; N420-T422 PolarHBondContact OD1-N 3.02Å; N420-T422 VanDerWaalsContact OD1-N 3.16Å; N420-T422 PolarHBondContact OD1-OG1 3.3Å; N420-G423 PolarHBondContact O-N 3.32Å; N420-G423 PolarHBondContact OD1-N 2.96Å; N420-E424 PolarHBondContact N-O 2.86Å; N420-E424 PolarHBondContact ND2-OE2 3.23Å; N420-E424 PolarHBondContact OD1-N 2.98Å; N420-E424 PolarHBondContact OD1-O 2.79Å; N420-V426 HydrophobicContact CB-CG1 3.89Å; N420-V426 HydrophobicContact CB-CG2 4.46Å
421	S	93	Very high	93.8	Very high	88 Å²	88	41.9 Å²	41.9	62%	0.615	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-19.8	179.4	45.5	0	0	0	0	114.7
422	T	91.8	Very high	94.1	Very high	108 Å²	108	42.3 Å²	42.3	66%	0.663	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-13.4	175.3	32.4	0	0	0	0	113.1	N420 E424	N420-T422 VanDerWaalsContact C-N 3.31Å; N420-T422 PolarHBondContact ND2-OG1 3.11Å; N420-T422 PolarHBondContact O-N 3.46Å; N420-T422 PolarHBondContact OD1-N 3.02Å; N420-T422 VanDerWaalsContact OD1-N 3.16Å; N420-T422 PolarHBondContact OD1-OG1 3.3Å; T422-E424 PolarHBondContact OG1-OE2 2.88Å
423	G	92.1	Very high	94.1	Very high	49 Å²	49	43.4 Å²	43.4	51%	0.505	23%	0.232	S	C	.	.	S	Bend	trans	102.1	7.1	177.5	0	0	0	0	0	114.9	I419 N420	I419-G423 VanDerWaalsContact CG2-C 3.41Å; I419-G423 WeakPolarHBondContact CG2-O 3.33Å; N420-G423 PolarHBondContact O-N 3.32Å; N420-G423 PolarHBondContact OD1-N 2.96Å
424	E	93.8	Very high	93.6	Very high	118 Å²	118	44.9 Å²	44.9	55%	0.551	24%	0.242	S	C	*	.			trans	-88.7	140.3	-177.3	-55.8	158	118.5	0	0	111.5	I419 N420 T422 V426	I419-E424 VanDerWaalsContact CA-O 3.28Å; I419-E424 WeakPolarHBondContact CA-O 3.43Å; N420-E424 PolarHBondContact N-O 2.86Å; N420-E424 PolarHBondContact ND2-OE2 3.23Å; N420-E424 PolarHBondContact OD1-N 2.98Å; N420-E424 PolarHBondContact OD1-O 2.79Å; T422-E424 PolarHBondContact OG1-OE2 2.88Å; E424-V426 PolarHBondContact O-N 3.34Å
425	E	96.1	Very high	92.4	Very high	84 Å²	84	50.3 Å²	50.3	39%	0.393	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	99.4	176	-176.7	173.8	111.7	0	0	110.8	R415 A417 L418 M428	R415-E425 IonicContact CZ-OE1 3.44Å; R415-E425 IonicContact CZ-OE2 2.93Å; R415-E425 VanDerWaalsContact CZ-OE2 3.26Å; R415-E425 IonicContact NH1-OE1 3.3Å; R415-E425 IonicContact NH1-OE2 3.69Å; R415-E425 PolarHBondContact NH1-OE2 3.13Å; R415-E425 IonicContact NH2-OE1 3.28Å; R415-E425 PolarHBondContact NH2-OE1 2.86Å; R415-E425 IonicContact NH2-OE2 3.93Å; R415-E425 PolarHBondContact NH2-OE2 3.13Å; A417-E425 HydrophobicContact CB-CG 4.05Å; A417-E425 VanDerWaalsContact CB-OE2 3.24Å; A417-E425 WeakPolarHBondContact CB-OE2 3.37Å; L418-E425 CarbonylContact O-C 3.59Å; E425-M428 HydrophobicContact CG-CB 4.37Å; E425-M428 WeakPolarHBondContact OE1-CB 3.39Å
426	V	96.4	Very high	90.5	Very high	18 Å²	18	49.2 Å²	49.2	11%	0.109	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	-20.1	-177	-66.8	0	0	0	0	113.8	S325 G326 W355 L418 N420 E424	S325-V426 PolarHBondContact N-O 3.44Å; G326-V426 PolarHBondContact N-O 3Å; W355-V426 HydrophobicContact CE3-CG2 4.22Å; W355-V426 HydrophobicContact CH2-CG2 4.19Å; W355-V426 HydrophobicContact CZ3-CG2 3.69Å; L418-V426 HydrophobicContact CB-CG2 4.33Å; L418-V426 HydrophobicContact CD2-CG2 4.11Å; L418-V426 HydrophobicContact CG-CG2 3.91Å; L418-V426 WeakPolarHBondContact O-CG2 3.35Å; L418-V426 PolarHBondContact O-N 3.35Å; N420-V426 HydrophobicContact CB-CG1 3.89Å; N420-V426 HydrophobicContact CB-CG2 4.46Å; E424-V426 PolarHBondContact O-N 3.34Å
427	A	96.9	Very high	88.4	Confident	3 Å²	3	55.5 Å²	55.5	3%	0.025	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	157.4	169.5	0	0	0	0	0	112.1	R323 T324 V328 V330 A417 L418	R323-A427 CarbonylContact O-C 3.58Å; R323-A427 WeakPolarHBondContact O-CA 3.47Å; T324-A427 HydrophobicContact CG2-CB 4.14Å; V328-A427 WeakPolarHBondContact O-CB 3.21Å; V330-A427 HydrophobicContact CG2-CB 4.26Å; A417-A427 CarbonylContact C-O 3.47Å; A417-A427 WeakPolarHBondContact CA-O 3.37Å; L418-A427 HydrophobicContact CB-CB 4.15Å; L418-A427 HydrophobicContact CD2-CB 4.45Å; L418-A427 PolarHBondContact N-O 2.89Å; L418-A427 PolarHBondContact O-N 3.41Å
428	M	96.6	Very high	86.2	Confident	19 Å²	19	58.6 Å²	58.6	9%	0.094	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	141.8	-178.9	-174.4	-83.7	-61.3	0	0	111.3	A322 R323 R415 T416 A417 E425 K430	A322-M428 CarbonylContact C-O 3.58Å; A322-M428 WeakPolarHBondContact CA-O 3.38Å; R323-M428 HydrophobicContact CG-CE 4.39Å; R323-M428 PolarHBondContact N-O 3.43Å; R323-M428 PolarHBondContact O-N 3.39Å; R415-M428 HydrophobicContact CG-CG 4.22Å; R415-M428 HydrophobicContact CG-SD 4.09Å; T416-M428 CarbonylContact O-C 3.54Å; T416-M428 VanDerWaalsContact O-CA 3.26Å; T416-M428 WeakPolarHBondContact O-CA 3.33Å; A417-M428 HydrophobicContact CB-CG 4.44Å; E425-M428 HydrophobicContact CG-CB 4.37Å; E425-M428 WeakPolarHBondContact OE1-CB 3.39Å; M428-K430 HydrophobicContact SD-CB 4.05Å; M428-K430 PolarHBondContact SD-N 2.9Å
429	R	96.1	Very high	83.8	Confident	35 Å²	35	66.5 Å²	66.5	13%	0.132	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	133.2	162.2	-175.2	-173.4	-111.8	91	-15.5	109.8	H321 V330 E331 T416 L431	H321-R429 CarbonylContact O-C 3.58Å; H321-R429 VanDerWaalsContact O-CA 3.28Å; H321-R429 WeakPolarHBondContact O-CA 3.36Å; V330-R429 HydrophobicContact CB-CB 4.26Å; V330-R429 HydrophobicContact CG1-CB 3.98Å; V330-R429 PolarHBondContact O-NH1 3.39Å; E331-R429 VanDerWaalsContact C-NH1 3.27Å; E331-R429 PolarHBondContact O-NH1 2.81Å; E331-R429 PolarHBondContact O-NH2 2.93Å; T416-R429 PolarHBondContact N-O 2.84Å; T416-R429 PolarHBondContact O-N 3.37Å; R429-L431 HydrophobicContact CG-CD1 4.08Å
430	K	94.2	Very high	81.4	Confident	76 Å²	76	71.4 Å²	71.4	33%	0.33	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	134.5	165.9	-164	-173.9	-175.9	-167.9	0	109.7	H321 S413 L414 R415 M428 V432	H321-K430 PolarHBondContact N-O 3.33Å; H321-K430 PolarHBondContact O-N 2.96Å; S413-K430 WeakPolarHBondContact OG-CE 3.31Å; S413-K430 PolarHBondContact OG-NZ 2.86Å; L414-K430 CarbonylContact O-C 3.45Å; L414-K430 VanDerWaalsContact O-CA 3.23Å; L414-K430 WeakPolarHBondContact O-CA 3.16Å; L414-K430 WeakPolarHBondContact O-CG 3.46Å; R415-K430 HydrophobicContact CB-CG 4.36Å; M428-K430 HydrophobicContact SD-CB 4.05Å; M428-K430 PolarHBondContact SD-N 2.9Å; K430-V432 HydrophobicContact CD-CG2 3.87Å; K430-V432 VanDerWaalsContact CE-CG2 3.5Å; K430-V432 HydrophobicContact CG-CG2 4.13Å
431	L	92.2	Very high	79	Confident	1 Å²	1	76.6 Å²	76.6	1%	0.005	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	136.5	165.5	-56.3	82.7	0	0	0	108	F318 S319 Q320 V333 E335 L414 R429	F318-L431 HydrophobicContact CD1-CB 3.61Å; F318-L431 HydrophobicContact CD1-CD2 4.49Å; F318-L431 HydrophobicContact CE1-CB 3.96Å; F318-L431 HydrophobicContact CG-CB 4.42Å; S319-L431 CarbonylContact O-C 3.59Å; S319-L431 WeakPolarHBondContact O-CA 3.48Å; Q320-L431 HydrophobicContact CG-CD2 4.41Å; Q320-L431 HydrophobicContact CG-CG 4.23Å; V333-L431 HydrophobicContact CB-CD1 4.25Å; E335-L431 HydrophobicContact CG-CD2 4.07Å; L414-L431 HydrophobicContact CB-CB 4.32Å; L414-L431 HydrophobicContact CB-CD1 4.49Å; L414-L431 PolarHBondContact N-O 3.48Å; L414-L431 PolarHBondContact O-N 3.47Å; R429-L431 HydrophobicContact CG-CD1 4.08Å
432	V	90.7	Very high	76.7	Confident	46 Å²	46	81 Å²	81	28%	0.279	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	120.2	173.4	-177	0	0	0	0	109.8	F318 S319 S412 K430	F318-V432 WeakPolarHBondContact CA-O 3.26Å; S319-V432 PolarHBondContact N-O 3.18Å; S319-V432 PolarHBondContact O-N 2.81Å; S319-V432 PolarHBondContact OG-O 3.48Å; S412-V432 CarbonylContact O-C 3.57Å; S412-V432 WeakPolarHBondContact O-CA 3.44Å; K430-V432 HydrophobicContact CD-CG2 3.87Å; K430-V432 VanDerWaalsContact CE-CG2 3.5Å; K430-V432 HydrophobicContact CG-CG2 4.13Å
433	R	85.8	Confident	74.7	Confident	103 Å²	103	82.4 Å²	82.4	39%	0.389	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	130.6	179.8	-171.2	173.7	-86.5	-147.7	-5.4	109.9	S316 S317 F318 S412	S316-R433 PolarHBondContact OG-NH1 2.99Å; S317-R433 CarbonylContact O-C 3.56Å; S317-R433 VanDerWaalsContact O-CA 3.31Å; S317-R433 WeakPolarHBondContact O-CA 3.43Å; F318-R433 HydrophobicContact CD1-CB 3.83Å; F318-R433 VanDerWaalsContact CD1-N 3.27Å; F318-R433 HydrophobicContact CD2-CB 4.38Å; F318-R433 HydrophobicContact CD2-CG 4.45Å; F318-R433 HydrophobicContact CE1-CB 3.58Å; F318-R433 HydrophobicContact CE2-CB 4.2Å; F318-R433 HydrophobicContact CE2-CG 4.32Å; F318-R433 HydrophobicContact CG-CB 4.26Å; F318-R433 HydrophobicContact CZ-CB 3.79Å; F318-R433 HydrophobicContact CZ-CG 4.36Å; S412-R433 PolarHBondContact O-N 3.09Å
434	S	78.5	Confident	72.6	Confident	63 Å²	63	87.6 Å²	87.6	44%	0.441	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	139.5	166.1	-164.3	0	0	0	0	108.7	S316 S317	S316-S434 WeakPolarHBondContact CA-O 3.14Å; S317-S434 PolarHBondContact N-O 2.92Å; S317-S434 PolarHBondContact O-N 2.89Å
435	L	66.4	Low	70.3	Confident	114 Å²	114	90.1 Å²	90.1	60%	0.597	46%	0.463	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.7	130.2	161.1	-73.5	103.3	0	0	0	108
436	T	56.6	Low	68.2	Low	72 Å²	72	94.9 Å²	94.9	44%	0.442	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	114.2	165.3	45.1	0	0	0	0	107.1	R315	R315-T436 PolarHBondContact O-N 2.92Å; R315-T436 PolarHBondContact O-OG1 3.28Å
437	M	51.9	Low	65.9	Low	133 Å²	133	102.2 Å²	102.2	66%	0.655	52%	0.524	S	S	*	.			trans	-65.8	134.7	162.3	-57.4	-60.5	-73.4	0	0	107.2
438	V	51.3	Low	63.5	Low	67 Å²	67	105.9 Å²	105.9	41%	0.406	56%	0.562	S	S	.	*			trans	-94.9	119.2	162.6	-176.9	0	0	0	0	105.1	D440	V438-D440 WeakPolarHBondContact CG1-OD1 3.46Å
439	E	46.8	Very low	60.9	Low	165 Å²	165	114.3 Å²	114.3	77%	0.771	60%	0.601	S	S	*	*			trans	-90.4	101.4	168.8	-68.5	-179.1	155.7	0	0	106.3	N441	E439-N441 PolarHBondContact O-N 2.97Å
440	D	46.2	Very low	58.4	Low	115 Å²	115	121.8 Å²	121.8	62%	0.615	64%	0.637	S	S	*	*			trans	-72.9	91.3	175.4	-63.7	-52.7	0	0	0	108.5	V438 E442	V438-D440 WeakPolarHBondContact CG1-OD1 3.46Å; D440-E442 VanDerWaalsContact C-N 3.32Å; D440-E442 PolarHBondContact O-N 3.21Å
441	N	45.2	Very low	56	Low	132 Å²	132	124.7 Å²	124.7	71%	0.706	66%	0.656	S	S	*	*			trans	-75.4	87.1	169.1	-70.9	-21.7	0	0	0	109	E439 D443	E439-N441 PolarHBondContact O-N 2.97Å; N441-D443 PolarHBondContact O-N 3.11Å; N441-D443 VanDerWaalsContact O-N 3.1Å
442	E	44.4	Very low	53.6	Low	180 Å²	180	131.1 Å²	131.1	84%	0.841	69%	0.69	S	S	*	*			trans	-73.8	81.4	160.4	-65.3	-176.9	140.8	0	0	108.3	D440	D440-E442 VanDerWaalsContact C-N 3.32Å; D440-E442 PolarHBondContact O-N 3.21Å
443	D	50	Low	51.5	Low	137 Å²	137	136.7 Å²	136.7	73%	0.733	71%	0.712	S	S	*	*			trans	-78.2	110.9	166.1	-76.4	-52.7	0	0	0	108.6	N441 D445	N441-D443 PolarHBondContact O-N 3.11Å; N441-D443 VanDerWaalsContact O-N 3.1Å; D443-D445 PolarHBondContact O-N 3.34Å
444	D	49.2	Very low	49.5	Very low	158 Å²	158	140.2 Å²	140.2	85%	0.845	73%	0.733	S	S	*	*			trans	-72.1	104.7	178.9	-78.3	-50.7	0	0	0	111.8	E446	D444-E446 PolarHBondContact O-N 2.75Å
445	D	46	Very low	47.9	Very low	172 Å²	172	146 Å²	146	92%	0.92	75%	0.753	S	S	*	*			trans	-77.7	86.5	168.4	-85.3	-42.1	0	0	0	111.2	D443	D443-D445 PolarHBondContact O-N 3.34Å
446	E	51.3	Low	46.7	Very low	184 Å²	184	151.7 Å²	151.7	86%	0.86	77%	0.766	S	S	*	*			trans	-103.7	111.7	163.6	-85.8	-162.7	154.7	0	0	112.4	D444	D444-E446 PolarHBondContact O-N 2.75Å
447	D	48.1	Very low	46.4	Very low	171 Å²	171	155.3 Å²	155.3	91%	0.914	79%	0.788	S	S	*	*			trans	27.6	117.9	155.2	-67	-29.1	0	0	0	120.9
448	G	45.7	Very low	46.2	Very low	80 Å²	80	154.5 Å²	154.5	83%	0.825	80%	0.795	S	S	*	*			trans	-160.4	52.3	176.5	0	0	0	0	0	116.3	E450	G448-E450 PolarHBondContact O-N 2.77Å
449	E	42.2	Very low	46.4	Very low	197 Å²	197	155 Å²	155	92%	0.921	81%	0.813	S	S	*	*			trans	-70.3	112	167.2	-74.2	-161.4	149	0	0	111.4
450	E	44.8	Very low	46.8	Very low	191 Å²	191	152.3 Å²	152.3	89%	0.893	81%	0.813	S	S	*	*			trans	-151.9	147.8	141.5	-128.6	177.2	-164.5	0	0	115.6	G448	G448-E450 PolarHBondContact O-N 2.77Å
451	L	42.6	Very low	47.2	Very low	138 Å²	138	158 Å²	158	72%	0.723	83%	0.826	S	S	*	*			trans	-70.5	152.7	-161.8	-81.1	85.2	0	0	0	117.7
452	L	42	Very low	47.5	Very low	136 Å²	136	167.1 Å²	167.1	71%	0.712	85%	0.85	S	S	*	*			trans	69.4	156.6	148.5	-61.6	160.7	0	0	0	116.7
453	H	45.9	Very low	47.6	Very low	163 Å²	163	166.5 Å²	166.5	76%	0.755	85%	0.851	S	S	*	*			cis	-146.6	170.5	12.5	-126.8	-35.9	0	0	0	111.5
454	H	44.5	Very low	47.5	Very low	176 Å²	176	168.1 Å²	168.1	82%	0.815	86%	0.857	S	S	*	*			trans	-69	147.3	173.1	-76.1	-61.2	0	0	0	113
455	H	44.3	Very low	47.4	Very low	185 Å²	185	168.6 Å²	168.6	86%	0.856	86%	0.858	S	S	*	*			trans	-147.1	131.2	132.2	-122.2	-77	0	0	0	113.3
456	R	41.6	Very low	47.5	Very low	234 Å²	234	168.4 Å²	168.4	88%	0.883	85%	0.854	S	S	*	*			trans	-84.8	143.2	164	-80	178.5	167.5	-179.5	-3	109.6
457	V	49.6	Very low	47.3	Very low	148 Å²	148	167.4 Å²	167.4	90%	0.897	85%	0.854	S	S	*	*			trans	-134.9	141.8	146.5	-179.5	0	0	0	0	107.8
458	S	49.7	Very low	47.2	Very low	116 Å²	116	167.2 Å²	167.2	81%	0.811	85%	0.85	S	S	*	*			trans	-130	135.5	-173.8	57.1	0	0	0	0	112.5
459	G	53.8	Low	47.3	Very low	76 Å²	76	173.4 Å²	173.4	78%	0.784	85%	0.851	S	S	*	*			trans	-156.4	110.8	165.6	0	0	0	0	0	108.1
460	S	56.2	Low	47.7	Very low	109 Å²	109	171.6 Å²	171.6	76%	0.762	85%	0.846	S	S	*	*			cis	110.4	93.1	33.2	176.3	0	0	0	0	110.5
461	R	54.1	Low	47.9	Very low	236 Å²	236	170 Å²	170	89%	0.891	84%	0.842	S	S	*	*			trans	52.6	115.4	148.8	-65.2	179	169.3	179.1	-4.2	118.2
462	R	51.2	Low	48.4	Very low	323 Å²	323	172.9 Å²	172.9	100%	1.219	85%	0.853	S	S	*	*				-122.7	0	99.9	-131.1	178.6	-169.5	-166	2.3	110.4

Retrieved 462 of 462 residues in 774.9 ms (Link to these results)

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