A0A077ZIZ9_TRITR Loading...

Abhydrolase 3 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZIZ9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 324 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36	Very low	48.8	Very low	240 Å²	240	120.8 Å²	120.8	100%	1.182	66%	0.664	S	S	*	*				0	106.9	0	-79	169.5	175.3	0	0	106.3	T3	M1-T3 PolarHBondContact O-N 3.32Å
2	G	37.7	Very low	51	Low	77 Å²	77	123.6 Å²	123.6	79%	0.794	67%	0.669	S	S	*	*			trans	-61.5	124.6	173	0	0	0	0	0	107.9	K4	G2-K4 VanDerWaalsContact C-N 3.31Å; G2-K4 PolarHBondContact O-N 3.19Å
3	T	39.3	Very low	53.6	Low	135 Å²	135	119.7 Å²	119.7	83%	0.828	64%	0.639	S	S	*	*			trans	-56.7	102.3	164.2	46.1	0	0	0	0	106.1	M1 K5	M1-T3 PolarHBondContact O-N 3.32Å; T3-K5 PolarHBondContact O-N 3.17Å; T3-K5 VanDerWaalsContact O-N 3.07Å
4	K	35	Very low	56.4	Low	189 Å²	189	112.5 Å²	112.5	82%	0.822	60%	0.6	S	S	*	*			trans	-52.2	117.6	156	-75.6	-179.4	173.8	-176.8	0	104.3	G2 E6	G2-K4 VanDerWaalsContact C-N 3.31Å; G2-K4 PolarHBondContact O-N 3.19Å; K4-E6 PolarHBondContact O-N 3.02Å
5	K	43.8	Very low	59	Low	205 Å²	205	112.2 Å²	112.2	89%	0.891	61%	0.61	S	S	*	*			trans	-57.1	100.3	157.2	-80.9	-172.2	174.2	-173.6	0	104.1	T3 G7	T3-K5 PolarHBondContact O-N 3.17Å; T3-K5 VanDerWaalsContact O-N 3.07Å; K5-G7 PolarHBondContact O-N 2.84Å
6	E	40.2	Very low	61.4	Low	184 Å²	184	106.4 Å²	106.4	86%	0.86	58%	0.578	S	S	*	*			trans	-60.6	120.5	173.2	-71.9	179.4	150.6	0	0	106.7	K4	K4-E6 PolarHBondContact O-N 3.02Å
7	G	43.2	Very low	63.6	Low	53 Å²	53	102.7 Å²	102.7	55%	0.546	56%	0.556	S	S	.	*			trans	64.7	114.4	168.2	0	0	0	0	0	115.7	K5 D9	K5-G7 PolarHBondContact O-N 2.84Å; G7-D9 PolarHBondContact O-N 2.66Å
8	N	49.5	Very low	65.4	Low	89 Å²	89	105.4 Å²	105.4	48%	0.476	56%	0.562	S	S	.	*			trans	-71.8	84	165.2	-155.4	5.8	0	0	0	108	M10 E28	N8-M10 PolarHBondContact O-N 3.29Å; N8-E28 PolarHBondContact ND2-OE2 2.76Å
9	D	68.5	Low	67.2	Low	66 Å²	66	100.9 Å²	100.9	35%	0.353	54%	0.54	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	20.1	-169.4	-177.4	25.9	0	0	0	114.6	G7 E12 R13	G7-D9 PolarHBondContact O-N 2.66Å; D9-E12 WeakPolarHBondContact OD1-CB 3.38Å; D9-R13 PolarHBondContact O-N 3.17Å; D9-R13 PolarHBondContact O-NE 3.15Å; D9-R13 IonicContact OD2-NE 3.75Å
10	M	72.4	Confident	68.7	Low	3 Å²	3	95.9 Å²	95.9	2%	0.015	51%	0.513	C	S	.	.	H	α-helix	trans	-67.6	-50.3	174.4	-80.1	-167.4	-76.8	0	0	111.7	N8 E12 R13 I14 I25 D213 Y214	N8-M10 PolarHBondContact O-N 3.29Å; M10-E12 VanDerWaalsContact C-N 3.28Å; M10-E12 PolarHBondContact O-N 2.87Å; M10-R13 PolarHBondContact O-N 3.25Å; M10-I14 PolarHBondContact O-N 2.97Å; M10-I25 HydrophobicContact CE-CG1 3.67Å; M10-D213 HydrophobicContact CG-CB 3.4Å; M10-D213 VanDerWaalsContact CG-CB 3.4Å; M10-D213 HydrophobicContact SD-CB 3.68Å; M10-Y214 PolarHBondContact O-OH 3.41Å
11	T	71.6	Confident	70.1	Confident	88 Å²	88	93.3 Å²	93.3	54%	0.54	50%	0.499	S	S	.	.	H	α-helix	trans	-75.8	-18.1	-175.8	54.3	0	0	0	0	113.1	L21	T11-L21 HydrophobicContact CG2-CD1 3.84Å; T11-L21 HydrophobicContact CG2-CD2 3.99Å
12	E	75.1	Confident	73	Confident	154 Å²	154	87 Å²	87	72%	0.72	47%	0.466	S	S	*	.	H	α-helix	trans	-78.2	-33.2	175.4	-81.4	-179.2	-155.6	0	0	111.5	D9 M10	D9-E12 WeakPolarHBondContact OD1-CB 3.38Å; M10-E12 VanDerWaalsContact C-N 3.28Å; M10-E12 PolarHBondContact O-N 2.87Å
13	R	84.7	Confident	75.9	Confident	73 Å²	73	84.1 Å²	84.1	28%	0.275	43%	0.432	S	S	.	.	H	α-helix	trans	-80.4	-47.1	177.1	-73.6	178.8	-70.2	172	-8	113.9	D9 M10 Q209 D213 Y214	D9-R13 PolarHBondContact O-N 3.17Å; D9-R13 PolarHBondContact O-NE 3.15Å; D9-R13 IonicContact OD2-NE 3.75Å; M10-R13 PolarHBondContact O-N 3.25Å; R13-Q209 PolarHBondContact NH1-O 3.21Å; R13-Q209 VanDerWaalsContact NH1-O 3.09Å; R13-D213 IonicContact CZ-OD2 3.8Å; R13-D213 IonicContact NH1-OD2 3.94Å; R13-D213 IonicContact NH2-OD2 2.78Å; R13-D213 PolarHBondContact NH2-OD2 3.34Å; R13-Y214 WeakPolarHBondContact CB-OH 3.37Å
14	I	92.4	Very high	78.6	Confident	19 Å²	19	77.7 Å²	77.7	10%	0.097	39%	0.393	C	S	.	.			trans	-142.3	135.8	-177.6	-59.5	-67.5	0	0	0	110.3	M10 L16 F210 E262 A263	M10-I14 PolarHBondContact O-N 2.97Å; I14-L16 HydrophobicContact CG2-CD2 3.96Å; I14-L16 PolarHBondContact O-N 3.08Å; I14-F210 HydrophobicContact CD1-CE1 4.33Å; I14-F210 HydrophobicContact CD1-CZ 4.39Å; I14-F210 HydrophobicContact CG1-CE1 3.73Å; I14-F210 HydrophobicContact CG1-CZ 4.23Å; I14-E262 HydrophobicContact CD1-CG 4.28Å; I14-E262 HydrophobicContact CG2-CG 4.39Å; I14-A263 HydrophobicContact CG2-CB 4.48Å
15	S	95	Very high	81.5	Confident	108 Å²	108	72.3 Å²	72.3	76%	0.755	37%	0.372	S	S	*	.			trans	-82.1	88.7	171.4	178.2	0	0	0	0	110.5
16	L	97.9	Very high	84	Confident	19 Å²	19	66.3 Å²	66.3	10%	0.099	36%	0.361	C	S	.	.			trans	-68.5	151.1	176.5	-64.2	179.6	0	0	0	112.7	I14 A20 L21 Y214 A263 G291 I293	I14-L16 HydrophobicContact CG2-CD2 3.96Å; I14-L16 PolarHBondContact O-N 3.08Å; L16-A20 HydrophobicContact CB-CB 4.3Å; L16-L21 HydrophobicContact CB-CB 4.04Å; L16-L21 HydrophobicContact CD1-CB 4.37Å; L16-L21 HydrophobicContact CD1-CD1 4.35Å; L16-Y214 HydrophobicContact CD1-CD1 3.95Å; L16-Y214 HydrophobicContact CD1-CE1 3.98Å; L16-Y214 HydrophobicContact CD2-CD1 4.4Å; L16-Y214 HydrophobicContact CD2-CE1 4.37Å; L16-Y214 HydrophobicContact CG-CE1 4.31Å; L16-A263 HydrophobicContact CD2-CB 3.85Å; L16-G291 WeakPolarHBondContact CA-O 3.49Å; L16-I293 HydrophobicContact CD1-CG2 3.99Å; L16-I293 HydrophobicContact CD2-CG2 3.93Å
17	E	98.2	Very high	86.6	Confident	44 Å²	44	59.5 Å²	59.5	21%	0.206	33%	0.331	C	S	.	.			trans	-61.2	150.9	162.1	-74.2	-156.7	-147.4	0	0	110.2	S19 A20 L21 G291 M292 S305 H306 A307	E17-S19 VanDerWaalsContact C-N 3.34Å; E17-S19 PolarHBondContact O-N 3.33Å; E17-A20 WeakPolarHBondContact O-CB 3.42Å; E17-A20 PolarHBondContact O-N 3.37Å; E17-A20 VanDerWaalsContact O-N 3.08Å; E17-L21 PolarHBondContact O-N 2.87Å; E17-G291 PolarHBondContact N-O 2.95Å; E17-M292 HydrophobicContact CB-SD 3.94Å; E17-M292 HydrophobicContact CG-SD 4.14Å; E17-S305 WeakPolarHBondContact OE2-CA 3.32Å; E17-S305 VanDerWaalsContact OE2-CB 3.22Å; E17-S305 WeakPolarHBondContact OE2-CB 3.39Å; E17-H306 WeakPolarHBondContact OE1-CB 3.36Å; E17-H306 PolarHBondContact OE1-N 3.23Å; E17-H306 IonicContact OE2-CD2 3.9Å; E17-H306 PolarHBondContact OE2-N 2.97Å; E17-A307 WeakPolarHBondContact OE1-CB 3.28Å; E17-A307 PolarHBondContact OE1-N 3.36Å
18	K	97.7	Very high	88.9	Confident	151 Å²	151	59.2 Å²	59.2	66%	0.657	32%	0.315	S	S	*	.	H	α-helix	trans	-53.1	-47.9	-170.7	-179.2	-178.7	169.8	-174.2	0	113.1	L21 E22	K18-L21 PolarHBondContact O-N 3.41Å; K18-E22 VanDerWaalsContact CE-CD 3.5Å; K18-E22 WeakPolarHBondContact CE-OE1 3.39Å; K18-E22 HydrophobicContact CG-CG 4.4Å; K18-E22 IonicContact NZ-OE1 3.68Å; K18-E22 WeakPolarHBondContact O-CB 3.27Å; K18-E22 WeakPolarHBondContact O-CG 3.36Å; K18-E22 PolarHBondContact O-N 3.37Å
19	S	98.2	Very high	90.8	Very high	21 Å²	21	62.4 Å²	62.4	15%	0.147	32%	0.324	C	S	.	.	H	α-helix	trans	-67.1	-37.2	-178.9	50.7	0	0	0	0	112.6	E17 E22 F23 S301 S305	E17-S19 VanDerWaalsContact C-N 3.34Å; E17-S19 PolarHBondContact O-N 3.33Å; S19-E22 PolarHBondContact O-N 3Å; S19-F23 VanDerWaalsContact O-CB 3.28Å; S19-F23 WeakPolarHBondContact O-CB 3.21Å; S19-F23 PolarHBondContact O-N 3.21Å; S19-S301 WeakPolarHBondContact CB-O 3.38Å; S19-S305 WeakPolarHBondContact OG-CB 3.11Å
20	A	98.2	Very high	91.9	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-65.2	-40.4	174.3	0	0	0	0	0	111.9	L16 E17 S24 M292 I293 M302	L16-A20 HydrophobicContact CB-CB 4.3Å; E17-A20 WeakPolarHBondContact O-CB 3.42Å; E17-A20 PolarHBondContact O-N 3.37Å; E17-A20 VanDerWaalsContact O-N 3.08Å; A20-S24 WeakPolarHBondContact O-CB 3.43Å; A20-S24 PolarHBondContact O-N 2.83Å; A20-S24 PolarHBondContact O-OG 3.3Å; A20-M292 HydrophobicContact CB-CE 3.97Å; A20-M292 HydrophobicContact CB-SD 4.13Å; A20-I293 HydrophobicContact CB-CD1 4.41Å; A20-I293 HydrophobicContact CB-CG1 4.06Å; A20-I293 HydrophobicContact CB-CG2 4.46Å; A20-M302 HydrophobicContact CB-SD 3.98Å
21	L	97.6	Very high	93	Very high	41 Å²	41	69.2 Å²	69.2	22%	0.215	36%	0.361	C	S	.	.	H	α-helix	trans	-64.8	-48.6	174.6	-179.1	61.4	0	0	0	111.8	T11 L16 E17 K18 F23 S24 I25	T11-L21 HydrophobicContact CG2-CD1 3.84Å; T11-L21 HydrophobicContact CG2-CD2 3.99Å; L16-L21 HydrophobicContact CB-CB 4.04Å; L16-L21 HydrophobicContact CD1-CB 4.37Å; L16-L21 HydrophobicContact CD1-CD1 4.35Å; E17-L21 PolarHBondContact O-N 2.87Å; K18-L21 PolarHBondContact O-N 3.41Å; L21-F23 VanDerWaalsContact C-N 3.31Å; L21-F23 PolarHBondContact O-N 3.29Å; L21-S24 PolarHBondContact O-N 2.69Å; L21-I25 HydrophobicContact CD1-CD1 3.99Å; L21-I25 HydrophobicContact CD1-CG1 4.3Å; L21-I25 HydrophobicContact CG-CD1 3.91Å; L21-I25 WeakPolarHBondContact O-CG1 3.17Å; L21-I25 PolarHBondContact O-N 2.81Å
22	E	97.3	Very high	94.2	Very high	107 Å²	107	67.9 Å²	67.9	50%	0.5	35%	0.347	S	S	.	.	H	α-helix	trans	-60.5	-41.5	179.3	-74.7	173.9	161.4	0	0	111.3	K18 S19 I25 A26	K18-E22 VanDerWaalsContact CE-CD 3.5Å; K18-E22 WeakPolarHBondContact CE-OE1 3.39Å; K18-E22 HydrophobicContact CG-CG 4.4Å; K18-E22 IonicContact NZ-OE1 3.68Å; K18-E22 WeakPolarHBondContact O-CB 3.27Å; K18-E22 WeakPolarHBondContact O-CG 3.36Å; K18-E22 PolarHBondContact O-N 3.37Å; S19-E22 PolarHBondContact O-N 3Å; E22-I25 PolarHBondContact O-N 3.26Å; E22-A26 WeakPolarHBondContact O-CB 3.38Å; E22-A26 PolarHBondContact O-N 3.31Å
23	F	97.6	Very high	95.2	Very high	17 Å²	17	62 Å²	62	8%	0.075	32%	0.32	C	S	.	.	H	α-helix	trans	-66.3	-40.4	175.8	-166.9	-102	0	0	0	112.6	S19 L21 A26 N27 V48 F215 I293 V299 M302	S19-F23 VanDerWaalsContact O-CB 3.28Å; S19-F23 WeakPolarHBondContact O-CB 3.21Å; S19-F23 PolarHBondContact O-N 3.21Å; L21-F23 VanDerWaalsContact C-N 3.31Å; L21-F23 PolarHBondContact O-N 3.29Å; F23-A26 PolarHBondContact O-N 2.64Å; F23-N27 PolarHBondContact O-N 3.45Å; F23-N27 PolarHBondContact O-ND2 3.16Å; F23-V48 HydrophobicContact CE2-CG1 3.78Å; F23-V48 HydrophobicContact CZ-CG1 3.92Å; F23-F215 HydrophobicContact CD1-CB 4.27Å; F23-F215 HydrophobicContact CD1-CD1 4.39Å; F23-F215 HydrophobicContact CD1-CD2 4.15Å; F23-F215 HydrophobicContact CD1-CG 4.03Å; F23-F215 HydrophobicContact CE1-CB 4.27Å; F23-F215 AromaticContact CE1-CD1 3.75Å; F23-F215 HydrophobicContact CE1-CD1 3.75Å; F23-F215 AromaticContact CE1-CD2 3.42Å; F23-F215 HydrophobicContact CE1-CD2 3.42Å; F23-F215 VanDerWaalsContact CE1-CD2 3.42Å; F23-F215 AromaticContact CE1-CE1 3.81Å; F23-F215 HydrophobicContact CE1-CE1 3.81Å; F23-F215 AromaticContact CE1-CE2 3.49Å; F23-F215 HydrophobicContact CE1-CE2 3.49Å; F23-F215 VanDerWaalsContact CE1-CE2 3.49Å; F23-F215 AromaticContact CE1-CG 3.55Å; F23-F215 HydrophobicContact CE1-CG 3.55Å; F23-F215 AromaticContact CE1-CZ 3.68Å; F23-F215 HydrophobicContact CE1-CZ 3.68Å; F23-F215 HydrophobicContact CZ-CD2 4.19Å; F23-F215 HydrophobicContact CZ-CE1 4.5Å; F23-F215 AromaticContact CZ-CE2 3.85Å; F23-F215 HydrophobicContact CZ-CE2 3.85Å; F23-F215 HydrophobicContact CZ-CZ 4.02Å; F23-I293 HydrophobicContact CB-CD1 4.42Å; F23-I293 HydrophobicContact CD1-CD1 3.78Å; F23-V299 HydrophobicContact CD2-CG1 3.93Å; F23-V299 HydrophobicContact CE1-CG1 4.46Å; F23-V299 HydrophobicContact CE1-CG2 4.18Å; F23-V299 HydrophobicContact CE2-CG1 3.64Å; F23-V299 HydrophobicContact CE2-CG2 4.49Å; F23-V299 HydrophobicContact CG-CG1 4.48Å; F23-V299 HydrophobicContact CZ-CG1 3.92Å; F23-V299 HydrophobicContact CZ-CG2 3.94Å; F23-M302 HydrophobicContact CD1-CE 4.17Å
24	S	97.2	Very high	95.8	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-61.5	-47.8	175.4	-60.4	0	0	0	0	111.6	A20 L21 A26 N27 E28 D213	A20-S24 WeakPolarHBondContact O-CB 3.43Å; A20-S24 PolarHBondContact O-N 2.83Å; A20-S24 PolarHBondContact O-OG 3.3Å; L21-S24 PolarHBondContact O-N 2.69Å; S24-A26 VanDerWaalsContact C-N 3.33Å; S24-A26 PolarHBondContact O-N 2.89Å; S24-N27 CarbonylContact O-C 3.51Å; S24-N27 PolarHBondContact O-N 2.85Å; S24-N27 VanDerWaalsContact O-N 3.12Å; S24-E28 PolarHBondContact O-N 3.47Å; S24-E28 VanDerWaalsContact O-N 3.11Å; S24-D213 WeakPolarHBondContact CB-O 3.32Å
25	I	95.9	Very high	96	Very high	76 Å²	76	63.5 Å²	63.5	39%	0.39	33%	0.328	S	S	.	.	H	α-helix	trans	-61.8	-40.6	177.2	-68.4	168.2	0	0	0	111.3	M10 L21 E22 N27 E28	M10-I25 HydrophobicContact CE-CG1 3.67Å; L21-I25 HydrophobicContact CD1-CD1 3.99Å; L21-I25 HydrophobicContact CD1-CG1 4.3Å; L21-I25 HydrophobicContact CG-CD1 3.91Å; L21-I25 WeakPolarHBondContact O-CG1 3.17Å; L21-I25 PolarHBondContact O-N 2.81Å; E22-I25 PolarHBondContact O-N 3.26Å; I25-N27 PolarHBondContact O-N 3.46Å; I25-E28 VanDerWaalsContact O-CG 3.31Å; I25-E28 WeakPolarHBondContact O-CG 3.11Å; I25-E28 PolarHBondContact O-N 2.7Å
26	A	95.3	Very high	96.2	Very high	79 Å²	79	59.9 Å²	59.9	65%	0.653	30%	0.3	S	S	*	.	H	α-helix	trans	-62.5	-26.9	178.4	0	0	0	0	0	112.8	E22 F23 S24	E22-A26 WeakPolarHBondContact O-CB 3.38Å; E22-A26 PolarHBondContact O-N 3.31Å; F23-A26 PolarHBondContact O-N 2.64Å; S24-A26 VanDerWaalsContact C-N 3.33Å; S24-A26 PolarHBondContact O-N 2.89Å
27	N	94.8	Very high	96.2	Very high	42 Å²	42	62.5 Å²	62.5	23%	0.225	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.5	8.9	-177.4	-70	-85.5	0	0	0	113.8	F23 S24 I25 K29 F215	F23-N27 PolarHBondContact O-N 3.45Å; F23-N27 PolarHBondContact O-ND2 3.16Å; S24-N27 CarbonylContact O-C 3.51Å; S24-N27 PolarHBondContact O-N 2.85Å; S24-N27 VanDerWaalsContact O-N 3.12Å; I25-N27 PolarHBondContact O-N 3.46Å; N27-K29 VanDerWaalsContact C-N 3.3Å; N27-K29 PolarHBondContact O-N 3.23Å; N27-F215 HydrophobicContact CB-CD2 4.04Å
28	E	91.2	Very high	96.2	Very high	47 Å²	47	62.2 Å²	62.2	22%	0.22	32%	0.318	C	S	.	.	S	Bend	trans	-75.5	-17.2	-174.8	80.7	-175.6	179.7	0	0	113.7	N8 S24 I25 Y32	N8-E28 PolarHBondContact ND2-OE2 2.76Å; S24-E28 PolarHBondContact O-N 3.47Å; S24-E28 VanDerWaalsContact O-N 3.11Å; I25-E28 VanDerWaalsContact O-CG 3.31Å; I25-E28 WeakPolarHBondContact O-CG 3.11Å; I25-E28 PolarHBondContact O-N 2.7Å; E28-Y32 WeakPolarHBondContact O-CE1 3.49Å; E28-Y32 PolarHBondContact O-OH 3.45Å
29	K	90.3	Very high	96.2	Very high	155 Å²	155	60.7 Å²	60.7	67%	0.674	32%	0.317	S	S	*	.	S	Bend	trans	-103.9	141.3	-171.1	-64.4	-179.1	-174.5	166.9	0	112.3	N27	N27-K29 VanDerWaalsContact C-N 3.3Å; N27-K29 PolarHBondContact O-N 3.23Å
30	E	91.7	Very high	96.2	Very high	131 Å²	131	65 Å²	65	61%	0.612	34%	0.335	S	S	*	.	S	Bend	trans	-68.3	152.7	172.6	-68.6	-169.5	159.3	0	0	112.9	Y32 Q35	E30-Y32 HydrophobicContact CG-CD2 3.82Å; E30-Y32 HydrophobicContact CG-CE1 4.42Å; E30-Y32 HydrophobicContact CG-CE2 3.44Å; E30-Y32 VanDerWaalsContact CG-CE2 3.44Å; E30-Y32 HydrophobicContact CG-CG 4.44Å; E30-Q35 PolarHBondContact OE1-NE2 2.8Å
31	P	95.4	Very high	96.2	Very high	82 Å²	82	65 Å²	65	53%	0.532	34%	0.335	S	S	.	.	S	Bend	cis	-71.3	133.8	-3.6	30	-34.9	0	0	0	112.1	Q35 L36	P31-Q35 HydrophobicContact CB-CB 4.31Å; P31-L36 HydrophobicContact CB-CD2 3.84Å; P31-L36 HydrophobicContact CB-CG 4.43Å; P31-L36 HydrophobicContact CG-CD2 3.58Å; P31-L36 HydrophobicContact CG-CG 4.49Å
32	Y	96.4	Very high	96.3	Very high	60 Å²	60	64.1 Å²	64.1	24%	0.235	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-68.7	157.1	170.4	-58.3	-59.3	0	0	0	110	E28 E30 Y34 Q35 L36	E28-Y32 WeakPolarHBondContact O-CE1 3.49Å; E28-Y32 PolarHBondContact O-OH 3.45Å; E30-Y32 HydrophobicContact CG-CD2 3.82Å; E30-Y32 HydrophobicContact CG-CE1 4.42Å; E30-Y32 HydrophobicContact CG-CE2 3.44Å; E30-Y32 VanDerWaalsContact CG-CE2 3.44Å; E30-Y32 HydrophobicContact CG-CG 4.44Å; Y32-Y34 HydrophobicContact CD2-CE1 4.07Å; Y32-Y34 HydrophobicContact CD2-CE2 4.25Å; Y32-Y34 AromaticContact CD2-CZ 3.57Å; Y32-Y34 WeakPolarHBondContact CD2-OH 3.36Å; Y32-Y34 AromaticContact CG-CE1 3.83Å; Y32-Y34 HydrophobicContact CG-CE1 3.83Å; Y32-Y34 AromaticContact CG-CZ 3.83Å; Y32-Y34 PolarHBondContact O-N 3.26Å; Y32-Y34 VanDerWaalsContact O-N 3.09Å; Y32-Q35 HydrophobicContact CD2-CG 4.39Å; Y32-Q35 WeakPolarHBondContact O-CA 3.42Å; Y32-Q35 WeakPolarHBondContact O-CB 3.47Å; Y32-Q35 PolarHBondContact O-N 3.12Å; Y32-L36 PolarHBondContact O-N 2.62Å
33	I	96.7	Very high	96.3	Very high	30 Å²	30	61.9 Å²	61.9	15%	0.154	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-54.8	-35.2	-178.3	-165.7	164	0	0	0	113.1	Q35 L36 A41 L44 L45 L100	I33-Q35 VanDerWaalsContact C-N 3.29Å; I33-Q35 PolarHBondContact O-N 3.47Å; I33-L36 PolarHBondContact O-N 2.71Å; I33-A41 HydrophobicContact CG1-CB 3.94Å; I33-A41 WeakPolarHBondContact O-CB 3.15Å; I33-L44 HydrophobicContact CB-CD2 4.3Å; I33-L44 HydrophobicContact CD1-CB 4.5Å; I33-L44 HydrophobicContact CD1-CD2 4.19Å; I33-L44 HydrophobicContact CD1-CG 4.34Å; I33-L44 HydrophobicContact CG1-CD2 4.08Å; I33-L45 HydrophobicContact CD1-CB 4.31Å; I33-L100 HydrophobicContact CD1-CD1 3.74Å; I33-L100 HydrophobicContact CG1-CD1 3.89Å
34	Y	96.5	Very high	96.3	Very high	37 Å²	37	63.6 Å²	63.6	15%	0.145	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-80.1	-2.6	176.8	62.3	-95.6	0	0	0	114.3	Y32 A217 E219 G220 W223	Y32-Y34 HydrophobicContact CD2-CE1 4.07Å; Y32-Y34 HydrophobicContact CD2-CE2 4.25Å; Y32-Y34 AromaticContact CD2-CZ 3.57Å; Y32-Y34 WeakPolarHBondContact CD2-OH 3.36Å; Y32-Y34 AromaticContact CG-CE1 3.83Å; Y32-Y34 HydrophobicContact CG-CE1 3.83Å; Y32-Y34 AromaticContact CG-CZ 3.83Å; Y32-Y34 PolarHBondContact O-N 3.26Å; Y32-Y34 VanDerWaalsContact O-N 3.09Å; Y34-A217 HydrophobicContact CE1-CB 3.89Å; Y34-E219 HydrophobicContact CE2-CB 4.05Å; Y34-G220 VanDerWaalsContact CD1-CA 3.47Å; Y34-W223 PolarHBondContact O-NE1 3.32Å
35	Q	97.7	Very high	96.3	Very high	86 Å²	86	63.9 Å²	63.9	40%	0.402	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-99.5	-11.2	172.4	-65.3	174.4	-32.4	0	0	112.2	E30 P31 Y32 I33	E30-Q35 PolarHBondContact OE1-NE2 2.8Å; P31-Q35 HydrophobicContact CB-CB 4.31Å; Y32-Q35 HydrophobicContact CD2-CG 4.39Å; Y32-Q35 WeakPolarHBondContact O-CA 3.42Å; Y32-Q35 WeakPolarHBondContact O-CB 3.47Å; Y32-Q35 PolarHBondContact O-N 3.12Å; I33-Q35 VanDerWaalsContact C-N 3.29Å; I33-Q35 PolarHBondContact O-N 3.47Å
36	L	97.7	Very high	96.4	Very high	32 Å²	32	62.9 Å²	62.9	17%	0.168	33%	0.333	C	S	.	.	S	Bend	trans	-78	156.3	176.9	-65.5	176	0	0	0	111.6	P31 Y32 I33 E40 A41 L44	P31-L36 HydrophobicContact CB-CD2 3.84Å; P31-L36 HydrophobicContact CB-CG 4.43Å; P31-L36 HydrophobicContact CG-CD2 3.58Å; P31-L36 HydrophobicContact CG-CG 4.49Å; Y32-L36 PolarHBondContact O-N 2.62Å; I33-L36 PolarHBondContact O-N 2.71Å; L36-E40 HydrophobicContact CB-CB 4.3Å; L36-A41 HydrophobicContact CB-CB 4.14Å; L36-L44 HydrophobicContact CD1-CD2 3.69Å
37	P	98.1	Very high	96.5	Very high	75 Å²	75	65.2 Å²	65.2	49%	0.487	33%	0.331	S	S	.	.			trans	-52.9	145.2	160.9	-24.2	35.6	0	0	0	111.2	D39 E40 A41	P37-D39 VanDerWaalsContact C-N 3.31Å; P37-D39 PolarHBondContact O-N 2.77Å; P37-E40 HydrophobicContact CB-CB 4.48Å; P37-E40 HydrophobicContact CB-CG 4.35Å; P37-E40 HydrophobicContact CG-CG 4.46Å; P37-E40 WeakPolarHBondContact O-CB 3.42Å; P37-E40 PolarHBondContact O-N 2.78Å; P37-A41 PolarHBondContact O-N 3.39Å
38	I	98.5	Very high	96.6	Very high	37 Å²	37	64.3 Å²	64.3	19%	0.19	33%	0.327	C	S	.	.	H	α-helix	trans	-55.7	-42.8	-172.2	-71.7	156.6	0	0	0	112.8	E40 A41 R42 V99 P130 W223	I38-E40 VanDerWaalsContact C-N 3.34Å; I38-E40 PolarHBondContact O-N 3.05Å; I38-A41 PolarHBondContact O-N 2.86Å; I38-R42 HydrophobicContact CG2-CG 4.44Å; I38-R42 VanDerWaalsContact CG2-CZ 3.41Å; I38-R42 WeakPolarHBondContact O-CB 3.16Å; I38-R42 WeakPolarHBondContact O-CG 3.44Å; I38-R42 PolarHBondContact O-N 3.4Å; I38-V99 HydrophobicContact CG1-CG1 4.43Å; I38-V99 HydrophobicContact CG2-CG1 4.04Å; I38-P130 VanDerWaalsContact CD1-CD 3.42Å; I38-P130 HydrophobicContact CD1-CG 3.46Å; I38-P130 VanDerWaalsContact CD1-CG 3.46Å; I38-W223 HydrophobicContact CG1-CH2 4.28Å; I38-W223 HydrophobicContact CG1-CZ2 4.15Å
39	D	98	Very high	96.9	Very high	119 Å²	119	62.9 Å²	62.9	64%	0.636	32%	0.32	S	S	*	.	H	α-helix	trans	-67.5	-36	-179.5	-66.6	-26.8	0	0	0	112.2	P37 R42 A43	P37-D39 VanDerWaalsContact C-N 3.31Å; P37-D39 PolarHBondContact O-N 2.77Å; D39-R42 IonicContact OD1-NH1 2.72Å; D39-A43 WeakPolarHBondContact O-CB 3.39Å; D39-A43 PolarHBondContact O-N 2.95Å
40	E	98.3	Very high	97.2	Very high	111 Å²	111	61.7 Å²	61.7	52%	0.519	32%	0.321	S	S	.	.	H	α-helix	trans	-70.1	-40.3	174.4	-67.2	177.4	-149.8	0	0	111.2	L36 P37 I38 A43 L44	L36-E40 HydrophobicContact CB-CB 4.3Å; P37-E40 HydrophobicContact CB-CB 4.48Å; P37-E40 HydrophobicContact CB-CG 4.35Å; P37-E40 HydrophobicContact CG-CG 4.46Å; P37-E40 WeakPolarHBondContact O-CB 3.42Å; P37-E40 PolarHBondContact O-N 2.78Å; I38-E40 VanDerWaalsContact C-N 3.34Å; I38-E40 PolarHBondContact O-N 3.05Å; E40-A43 PolarHBondContact O-N 2.85Å; E40-L44 WeakPolarHBondContact O-CB 3.45Å; E40-L44 PolarHBondContact O-N 3.16Å
41	A	98.2	Very high	97.4	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-63.5	-40.5	175.4	0	0	0	0	0	111.8	I33 L36 P37 I38 L44 L45 L100	I33-A41 HydrophobicContact CG1-CB 3.94Å; I33-A41 WeakPolarHBondContact O-CB 3.15Å; L36-A41 HydrophobicContact CB-CB 4.14Å; P37-A41 PolarHBondContact O-N 3.39Å; I38-A41 PolarHBondContact O-N 2.86Å; A41-L44 PolarHBondContact O-N 3.44Å; A41-L45 PolarHBondContact O-N 2.85Å; A41-L45 VanDerWaalsContact O-N 3.16Å; A41-L100 HydrophobicContact CB-CD1 4.47Å; A41-L100 HydrophobicContact CB-CD2 3.41Å; A41-L100 VanDerWaalsContact CB-CD2 3.41Å
42	R	98.5	Very high	97.5	Very high	24 Å²	24	59.7 Å²	59.7	9%	0.091	32%	0.32	C	S	.	.	H	α-helix	trans	-61.7	-49.5	174.1	-78.2	168.1	175.3	161.4	2.6	110.7	I38 D39 L44 L45 E46 V99 L100 S129 E131	I38-R42 HydrophobicContact CG2-CG 4.44Å; I38-R42 VanDerWaalsContact CG2-CZ 3.41Å; I38-R42 WeakPolarHBondContact O-CB 3.16Å; I38-R42 WeakPolarHBondContact O-CG 3.44Å; I38-R42 PolarHBondContact O-N 3.4Å; D39-R42 IonicContact OD1-NH1 2.72Å; R42-L44 VanDerWaalsContact C-N 3.32Å; R42-L44 PolarHBondContact O-N 3.46Å; R42-L45 PolarHBondContact O-N 3.26Å; R42-E46 WeakPolarHBondContact O-CG 3.32Å; R42-E46 PolarHBondContact O-N 3.26Å; R42-V99 PolarHBondContact NE-O 3.32Å; R42-V99 PolarHBondContact NH2-O 2.77Å; R42-L100 HydrophobicContact CG-CD2 4.04Å; R42-S129 PolarHBondContact NH2-O 3.25Å; R42-S129 VanDerWaalsContact NH2-O 3.17Å; R42-E131 IonicContact CZ-OE1 4Å; R42-E131 IonicContact CZ-OE2 2.77Å; R42-E131 IonicContact NH1-OE1 3.38Å; R42-E131 PolarHBondContact NH1-OE1 2.85Å; R42-E131 IonicContact NH1-OE2 3.27Å; R42-E131 IonicContact NH2-OE1 2.67Å; R42-E131 PolarHBondContact NH2-OE1 3.33Å; R42-E131 IonicContact NH2-OE2 3.76Å; R42-E131 PolarHBondContact NH2-OE2 3Å
43	A	98.1	Very high	97.6	Very high	60 Å²	60	58.5 Å²	58.5	50%	0.496	32%	0.319	S	S	.	.	H	α-helix	trans	-61.1	-40.4	178.3	0	0	0	0	0	112.4	D39 E40 L45 E46 E47	D39-A43 WeakPolarHBondContact O-CB 3.39Å; D39-A43 PolarHBondContact O-N 2.95Å; E40-A43 PolarHBondContact O-N 2.85Å; A43-L45 PolarHBondContact O-N 3.21Å; A43-E46 PolarHBondContact O-N 3.41Å; A43-E47 PolarHBondContact O-N 3.34Å
44	L	97.5	Very high	97.6	Very high	52 Å²	52	65.2 Å²	65.2	27%	0.272	35%	0.35	S	S	.	.	H	α-helix	trans	-62.4	-40.6	177.7	179.2	60.1	0	0	0	112.1	I33 L36 E40 A41 R42 E47 V48	I33-L44 HydrophobicContact CB-CD2 4.3Å; I33-L44 HydrophobicContact CD1-CB 4.5Å; I33-L44 HydrophobicContact CD1-CD2 4.19Å; I33-L44 HydrophobicContact CD1-CG 4.34Å; I33-L44 HydrophobicContact CG1-CD2 4.08Å; L36-L44 HydrophobicContact CD1-CD2 3.69Å; E40-L44 WeakPolarHBondContact O-CB 3.45Å; E40-L44 PolarHBondContact O-N 3.16Å; A41-L44 PolarHBondContact O-N 3.44Å; R42-L44 VanDerWaalsContact C-N 3.32Å; R42-L44 PolarHBondContact O-N 3.46Å; L44-E47 PolarHBondContact O-N 3.12Å; L44-V48 WeakPolarHBondContact O-CG2 3.42Å; L44-V48 PolarHBondContact O-N 3.36Å
45	L	97.8	Very high	97.7	Very high	6 Å²	6	67.3 Å²	67.3	3%	0.031	36%	0.36	C	S	.	.	H	α-helix	trans	-67.3	-37	176.9	-177.3	64.8	0	0	0	112.3	I33 A41 R42 A43 V48 Q49 A96 L100 T105 M298	I33-L45 HydrophobicContact CD1-CB 4.31Å; A41-L45 PolarHBondContact O-N 2.85Å; A41-L45 VanDerWaalsContact O-N 3.16Å; R42-L45 PolarHBondContact O-N 3.26Å; A43-L45 PolarHBondContact O-N 3.21Å; L45-V48 PolarHBondContact O-N 2.96Å; L45-Q49 PolarHBondContact O-N 2.82Å; L45-A96 HydrophobicContact CD2-CB 3.31Å; L45-L100 HydrophobicContact CB-CB 4.41Å; L45-L100 HydrophobicContact CD2-CB 3.61Å; L45-T105 HydrophobicContact CD2-CG2 4.21Å; L45-T105 HydrophobicContact CG-CG2 4.04Å; L45-M298 HydrophobicContact CD1-CE 4.09Å
46	E	97.6	Very high	97.7	Very high	56 Å²	56	66.7 Å²	66.7	26%	0.262	36%	0.359	S	S	.	.	H	α-helix	trans	-62.6	-44	172.6	-63.6	-72.2	175.5	0	0	110.5	R42 A43 V48 Q49 D50 S102 T105	R42-E46 WeakPolarHBondContact O-CG 3.32Å; R42-E46 PolarHBondContact O-N 3.26Å; A43-E46 PolarHBondContact O-N 3.41Å; E46-V48 PolarHBondContact O-N 2.99Å; E46-Q49 PolarHBondContact O-N 3.44Å; E46-Q49 VanDerWaalsContact O-N 3.08Å; E46-D50 PolarHBondContact O-N 2.86Å; E46-S102 PolarHBondContact OE1-OG 3.35Å; E46-T105 HydrophobicContact CG-CG2 4.13Å; E46-T105 WeakPolarHBondContact OE1-CG2 3.32Å; E46-T105 VanDerWaalsContact OE2-CG2 3.31Å; E46-T105 WeakPolarHBondContact OE2-CG2 3.48Å
47	E	96.9	Very high	97.7	Very high	128 Å²	128	69.8 Å²	69.8	60%	0.598	38%	0.375	S	S	*	.	H	α-helix	trans	-62.5	-38.3	176.4	-175.8	-179.1	172.3	0	0	112.6	A43 L44 Q49 D50	A43-E47 PolarHBondContact O-N 3.34Å; L44-E47 PolarHBondContact O-N 3.12Å; E47-Q49 PolarHBondContact O-N 3.14Å; E47-Q49 VanDerWaalsContact O-N 3.16Å; E47-D50 WeakPolarHBondContact O-CB 2.99Å; E47-D50 PolarHBondContact O-N 2.98Å
48	V	97	Very high	97.7	Very high	23 Å²	23	66.4 Å²	66.4	14%	0.139	35%	0.354	C	S	.	.	H	α-helix	trans	-54.2	-37.1	174	163.2	0	0	0	0	111.1	F23 L44 L45 E46 D50 S51 V299	F23-V48 HydrophobicContact CE2-CG1 3.78Å; F23-V48 HydrophobicContact CZ-CG1 3.92Å; L44-V48 WeakPolarHBondContact O-CG2 3.42Å; L44-V48 PolarHBondContact O-N 3.36Å; L45-V48 PolarHBondContact O-N 2.96Å; E46-V48 PolarHBondContact O-N 2.99Å; V48-D50 VanDerWaalsContact C-N 3.3Å; V48-D50 PolarHBondContact O-N 2.96Å; V48-S51 PolarHBondContact O-N 3.21Å; V48-S51 PolarHBondContact O-OG 2.87Å; V48-V299 HydrophobicContact CG1-CG1 4.32Å
49	Q	97.3	Very high	97.7	Very high	16 Å²	16	67 Å²	67	8%	0.075	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-3.4	-179.4	-66.2	-62.7	97.8	0	0	114.1	L45 E46 E47 S51 T105 M298 N300	L45-Q49 PolarHBondContact O-N 2.82Å; E46-Q49 PolarHBondContact O-N 3.44Å; E46-Q49 VanDerWaalsContact O-N 3.08Å; E47-Q49 PolarHBondContact O-N 3.14Å; E47-Q49 VanDerWaalsContact O-N 3.16Å; Q49-S51 PolarHBondContact O-N 3.18Å; Q49-T105 WeakPolarHBondContact CG-O 3.36Å; Q49-T105 PolarHBondContact NE2-O 2.83Å; Q49-M298 HydrophobicContact CG-SD 4.32Å; Q49-M298 PolarHBondContact NE2-O 3.41Å; Q49-N300 VanDerWaalsContact NE2-CG 3.32Å; Q49-N300 PolarHBondContact NE2-ND2 2.76Å; Q49-N300 PolarHBondContact NE2-OD1 2.72Å; Q49-N300 PolarHBondContact O-ND2 3.24Å; Q49-N300 VanDerWaalsContact OE1-N 3.13Å
50	D	96.2	Very high	97.7	Very high	131 Å²	131	64.2 Å²	64.2	70%	0.701	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-9.9	168.6	-72	-25.5	0	0	0	112.8	E46 E47 V48	E46-D50 PolarHBondContact O-N 2.86Å; E47-D50 WeakPolarHBondContact O-CB 2.99Å; E47-D50 PolarHBondContact O-N 2.98Å; V48-D50 VanDerWaalsContact C-N 3.3Å; V48-D50 PolarHBondContact O-N 2.96Å
51	S	96.7	Very high	97.7	Very high	36 Å²	36	63.9 Å²	63.9	25%	0.252	34%	0.341	S	S	.	.	S	Bend	trans	-49.6	126.7	172.1	-64.9	0	0	0	0	110.8	V48 Q49 V53	V48-S51 PolarHBondContact O-N 3.21Å; V48-S51 PolarHBondContact O-OG 2.87Å; Q49-S51 PolarHBondContact O-N 3.18Å; S51-V53 PolarHBondContact O-N 3.48Å
52	P	97.1	Very high	97.7	Very high	135 Å²	135	68 Å²	68	88%	0.877	36%	0.362	S	S	*	.			trans	-57.5	128.2	-177.1	-26.4	34.2	0	0	0	112.4
53	V	98.2	Very high	97.7	Very high	35 Å²	35	70.6 Å²	70.6	21%	0.212	38%	0.376	C	S	.	.			trans	-149.3	147	179.8	69.5	0	0	0	0	110.1	S51 K55 K108 N300 D303	S51-V53 PolarHBondContact O-N 3.48Å; V53-K55 HydrophobicContact CG1-CG 4.1Å; V53-K108 HydrophobicContact CG1-CB 4.29Å; V53-K108 HydrophobicContact CG1-CG 3.95Å; V53-K108 HydrophobicContact CG2-CD 4.44Å; V53-K108 HydrophobicContact CG2-CG 3.89Å; V53-N300 HydrophobicContact CB-CB 3.99Å; V53-N300 HydrophobicContact CG1-CB 3.99Å; V53-N300 VanDerWaalsContact CG1-CG 3.5Å; V53-N300 HydrophobicContact CG2-CB 4.46Å; V53-D303 HydrophobicContact CG2-CB 3.73Å; V53-D303 WeakPolarHBondContact CG2-OD2 3.34Å
54	E	97.5	Very high	97.7	Very high	171 Å²	171	72.3 Å²	72.3	80%	0.799	38%	0.38	S	S	*	.			trans	-75.1	127.1	169.7	-68.2	-167.1	173.7	0	0	110
55	K	98	Very high	97.7	Very high	80 Å²	80	71 Å²	71	35%	0.348	37%	0.371	S	S	.	.			trans	-110.2	126.7	175.6	-62.7	-177.7	178.9	-173.9	0	108.6	V53 D107 K108	V53-K55 HydrophobicContact CG1-CG 4.1Å; K55-D107 WeakPolarHBondContact CD-OD2 3.3Å; K55-D107 WeakPolarHBondContact CE-OD2 3.35Å; K55-D107 IonicContact NZ-OD2 3.16Å; K55-D107 PolarHBondContact NZ-OD2 3.45Å; K55-K108 HydrophobicContact CG-CB 4.14Å; K55-K108 HydrophobicContact CG-CG 4.21Å
56	L	98	Very high	97.7	Very high	73 Å²	73	76.5 Å²	76.5	38%	0.382	40%	0.397	S	S	.	.			trans	-61.9	140.9	173.4	-60.2	-177.4	0	0	0	109.9	R111 E112 V115 R116	L56-R111 WeakPolarHBondContact O-CD 3.35Å; L56-E112 HydrophobicContact CD1-CG 4.46Å; L56-V115 HydrophobicContact CB-CB 4.16Å; L56-V115 HydrophobicContact CB-CG1 4.29Å; L56-V115 HydrophobicContact CB-CG2 3.95Å; L56-V115 HydrophobicContact CD1-CB 3.79Å; L56-V115 HydrophobicContact CD1-CG1 3.8Å; L56-R116 HydrophobicContact CD1-CG 3.93Å
57	D	97.7	Very high	97.8	Very high	97 Å²	97	74.6 Å²	74.6	52%	0.519	39%	0.389	S	S	.	.			trans	-71.8	134.8	178.1	-172.5	31.8	0	0	0	110.7	R81 V115	D57-R81 VanDerWaalsContact CG-NE 3.35Å; D57-R81 IonicContact OD1-CZ 2.76Å; D57-R81 IonicContact OD1-NE 2.76Å; D57-R81 PolarHBondContact OD1-NE 3.47Å; D57-R81 IonicContact OD1-NH2 2.74Å; D57-R81 PolarHBondContact OD1-NH2 3.07Å; D57-R81 WeakPolarHBondContact OD2-CG 3.47Å; D57-R81 IonicContact OD2-CZ 2.7Å; D57-R81 IonicContact OD2-NE 3.16Å; D57-R81 PolarHBondContact OD2-NE 3.03Å; D57-R81 IonicContact OD2-NH2 2.77Å; D57-V115 WeakPolarHBondContact O-CG2 3.3Å
58	A	98.3	Very high	97.8	Very high	5 Å²	5	71.4 Å²	71.4	4%	0.041	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	152.9	-175.4	0	0	0	0	0	109.8	V78 K79 R111 V115	A58-V78 HydrophobicContact CB-CG1 3.81Å; A58-K79 WeakPolarHBondContact CA-O 3.24Å; A58-K79 WeakPolarHBondContact CB-O 3.38Å; A58-R111 HydrophobicContact CB-CG 4.29Å; A58-V115 HydrophobicContact CB-CG2 4.18Å
59	D	98	Very high	97.8	Very high	50 Å²	50	78.7 Å²	78.7	27%	0.267	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	130.2	167	-68.5	-35.4	0	0	0	108.8	V78 K79 R81	D59-V78 WeakPolarHBondContact O-CA 3.25Å; D59-K79 HydrophobicContact CB-CG 3.85Å; D59-K79 PolarHBondContact N-O 3.45Å; D59-K79 PolarHBondContact O-N 2.98Å; D59-K79 WeakPolarHBondContact OD2-CE 3.38Å; D59-R81 WeakPolarHBondContact OD1-CD 3.46Å; D59-R81 IonicContact OD1-CZ 3.3Å; D59-R81 IonicContact OD1-NE 3.25Å; D59-R81 IonicContact OD1-NH1 3.73Å; D59-R81 PolarHBondContact OD1-NH1 3.23Å
60	I	98.4	Very high	97.8	Very high	59 Å²	59	80.9 Å²	80.9	30%	0.303	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	133.5	-179.5	-61	172.2	0	0	0	108.8	R76 T77 V78 R111	I60-R76 HydrophobicContact CG2-CG 3.99Å; I60-T77 WeakPolarHBondContact CA-O 3.42Å; I60-V78 HydrophobicContact CG1-CG1 4.13Å; I60-V78 HydrophobicContact CG1-CG2 4.16Å; I60-R111 HydrophobicContact CD1-CG 4.35Å
61	Q	98.1	Very high	97.8	Very high	105 Å²	105	76.1 Å²	76.1	49%	0.491	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	126.8	176.7	-168.8	-175.9	-11.5	0	0	109.5	E63 T77	Q61-E63 HydrophobicContact CG-CG 3.89Å; Q61-E63 PolarHBondContact NE2-OE1 2.77Å; Q61-E63 VanDerWaalsContact NE2-OE1 3.12Å; Q61-T77 PolarHBondContact N-O 2.85Å; Q61-T77 PolarHBondContact O-N 3.03Å
62	D	98.4	Very high	97.9	Very high	85 Å²	85	77.2 Å²	77.2	46%	0.455	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	124.6	172.5	-63	-32.5	0	0	0	108.6	R76	D62-R76 WeakPolarHBondContact OD1-CA 3.4Å; D62-R76 WeakPolarHBondContact OD1-CB 3.29Å; D62-R76 WeakPolarHBondContact OD1-CG 3.49Å; D62-R76 IonicContact OD1-CZ 3.23Å; D62-R76 IonicContact OD1-NE 3.16Å; D62-R76 PolarHBondContact OD1-NE 2.83Å; D62-R76 IonicContact OD1-NH2 3.48Å; D62-R76 IonicContact OD2-CZ 3.82Å; D62-R76 IonicContact OD2-NE 3.62Å; D62-R76 IonicContact OD2-NH2 3.68Å; D62-R76 PolarHBondContact OD2-NH2 2.85Å
63	E	98.2	Very high	98	Very high	79 Å²	79	71.1 Å²	71.1	37%	0.369	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	142.5	-179.3	-64.7	-176.1	99.7	0	0	111.3	Q61 N74 V75	Q61-E63 HydrophobicContact CG-CG 3.89Å; Q61-E63 PolarHBondContact NE2-OE1 2.77Å; Q61-E63 VanDerWaalsContact NE2-OE1 3.12Å; E63-N74 CarbonylContact O-C 3.56Å; E63-N74 WeakPolarHBondContact O-CA 3.36Å; E63-V75 PolarHBondContact N-O 3.31Å; E63-V75 PolarHBondContact O-N 3.25Å
64	T	98.5	Very high	98	Very high	96 Å²	96	73.2 Å²	73.2	59%	0.589	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.9	123	174.1	-57.5	0	0	0	0	109.9	T72 N74	T64-T72 HydrophobicContact CG2-CG2 3.13Å; T64-N74 PolarHBondContact OG1-OD1 3.48Å
65	W	98.4	Very high	98.1	Very high	24 Å²	24	65.1 Å²	65.1	9%	0.091	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	127.8	-176.7	-75.1	25.3	0	0	0	111.2	L67 T72 I73 V75 F122 T144 K147 L148	W65-L67 HydrophobicContact CB-CD2 4.36Å; W65-T72 WeakPolarHBondContact O-CA 3.22Å; W65-I73 PolarHBondContact N-O 2.83Å; W65-I73 PolarHBondContact O-N 3.2Å; W65-I73 VanDerWaalsContact O-N 3.12Å; W65-V75 HydrophobicContact CB-CG2 4.03Å; W65-V75 HydrophobicContact CD2-CB 3.95Å; W65-V75 HydrophobicContact CD2-CG1 4.45Å; W65-V75 HydrophobicContact CD2-CG2 3.6Å; W65-V75 HydrophobicContact CE3-CB 4.39Å; W65-V75 HydrophobicContact CE3-CG2 3.77Å; W65-V75 HydrophobicContact CG-CB 4.17Å; W65-V75 HydrophobicContact CG-CG2 3.73Å; W65-V75 HydrophobicContact CH2-CG1 4.33Å; W65-V75 HydrophobicContact CZ2-CB 4.41Å; W65-V75 HydrophobicContact CZ2-CG1 4.19Å; W65-V75 HydrophobicContact CZ3-CG2 4.44Å; W65-F122 AromaticContact CH2-CD1 3.85Å; W65-F122 HydrophobicContact CH2-CD1 3.85Å; W65-F122 AromaticContact CH2-CE1 3.95Å; W65-F122 HydrophobicContact CH2-CE1 3.95Å; W65-F122 HydrophobicContact CZ2-CD1 4.07Å; W65-F122 HydrophobicContact CZ2-CE1 4.02Å; W65-T144 HydrophobicContact CE3-CG2 4.09Å; W65-T144 HydrophobicContact CZ3-CG2 3.78Å; W65-K147 HydrophobicContact CB-CD 4.27Å; W65-K147 HydrophobicContact CD2-CD 4.14Å; W65-K147 HydrophobicContact CE3-CB 4.34Å; W65-K147 HydrophobicContact CE3-CD 3.67Å; W65-K147 HydrophobicContact CE3-CG 3.99Å; W65-K147 HydrophobicContact CG-CD 4.42Å; W65-K147 HydrophobicContact CZ3-CB 4.35Å; W65-K147 HydrophobicContact CZ3-CD 4.36Å; W65-K147 HydrophobicContact CZ3-CG 4.19Å; W65-L148 HydrophobicContact CH2-CB 3.87Å; W65-L148 HydrophobicContact CZ3-CB 3.95Å
66	E	98.2	Very high	98.1	Very high	123 Å²	123	62.6 Å²	62.6	58%	0.575	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.3	115.8	171.8	-66.7	-65.3	140.9	0	0	110.6	T72	E66-T72 WeakPolarHBondContact OE1-CB 3.48Å; E66-T72 WeakPolarHBondContact OE1-CG2 3.25Å; E66-T72 PolarHBondContact OE1-OG1 3.1Å; E66-T72 PolarHBondContact OE2-OG1 3.31Å
67	L	98.3	Very high	98.1	Very high	16 Å²	16	59.8 Å²	59.8	8%	0.084	32%	0.322	C	S	.	.			trans	-104.7	22.9	-177.6	-56.5	-176.1	0	0	0	112.7	W65 K69 Y70 G71 I73 Q140 A143 K147	W65-L67 HydrophobicContact CB-CD2 4.36Å; L67-K69 PolarHBondContact O-N 3.17Å; L67-Y70 PolarHBondContact O-N 3.27Å; L67-G71 WeakPolarHBondContact CA-O 3.35Å; L67-G71 WeakPolarHBondContact CB-O 3.32Å; L67-G71 PolarHBondContact N-O 3.27Å; L67-I73 HydrophobicContact CD1-CD1 3.61Å; L67-I73 HydrophobicContact CD1-CG1 3.67Å; L67-I73 HydrophobicContact CG-CG1 4.34Å; L67-Q140 HydrophobicContact CD1-CB 4.23Å; L67-Q140 HydrophobicContact CD1-CG 4.4Å; L67-A143 HydrophobicContact CB-CB 4.05Å; L67-A143 HydrophobicContact CD1-CB 4.17Å; L67-A143 HydrophobicContact CD2-CB 4.36Å; L67-A143 HydrophobicContact CG-CB 4.43Å; L67-K147 HydrophobicContact CD2-CB 4.3Å; L67-K147 HydrophobicContact CD2-CD 3.8Å
68	G	96.5	Very high	98.2	Very high	61 Å²	61	55.2 Å²	55.2	63%	0.629	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	65	-122	179.6	0	0	0	0	0	111.8	Y70 G71	G68-Y70 PolarHBondContact O-N 3.32Å; G68-Y70 VanDerWaalsContact O-N 3.08Å; G68-G71 PolarHBondContact O-N 2.69Å; G68-G71 VanDerWaalsContact O-N 3.15Å
69	K	97.2	Very high	98.2	Very high	176 Å²	176	58.6 Å²	58.6	77%	0.765	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-65.5	-12	-177.2	71.4	177.4	-173.6	175	0	114.2	L67	L67-K69 PolarHBondContact O-N 3.17Å
70	Y	97.2	Very high	98.1	Very high	61 Å²	61	56.8 Å²	56.8	24%	0.239	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-95.7	9.3	179	-57.2	-63.8	0	0	0	113.2	L67 G68 E139 Q140 A143	L67-Y70 PolarHBondContact O-N 3.27Å; G68-Y70 PolarHBondContact O-N 3.32Å; G68-Y70 VanDerWaalsContact O-N 3.08Å; Y70-E139 HydrophobicContact CD1-CB 3.73Å; Y70-E139 HydrophobicContact CE1-CB 3.38Å; Y70-E139 HydrophobicContact CE1-CG 3.81Å; Y70-E139 HydrophobicContact CE2-CB 4.39Å; Y70-E139 HydrophobicContact CG-CB 4.36Å; Y70-E139 VanDerWaalsContact CZ-OE2 3.28Å; Y70-E139 PolarHBondContact OH-OE2 3.05Å; Y70-Q140 PolarHBondContact O-NE2 3.46Å; Y70-A143 HydrophobicContact CD2-CB 3.72Å; Y70-A143 HydrophobicContact CE2-CB 4.26Å
71	G	97.7	Very high	98	Very high	31 Å²	31	59.2 Å²	59.2	32%	0.32	31%	0.307	S	S	.	.			trans	80	-153.8	175.9	0	0	0	0	0	113	L67 G68	L67-G71 WeakPolarHBondContact CA-O 3.35Å; L67-G71 WeakPolarHBondContact CB-O 3.32Å; L67-G71 PolarHBondContact N-O 3.27Å; G68-G71 PolarHBondContact O-N 2.69Å; G68-G71 VanDerWaalsContact O-N 3.15Å
72	T	98.4	Very high	97.8	Very high	59 Å²	59	61.6 Å²	61.6	36%	0.362	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	126.3	-171.6	-49.3	0	0	0	0	108.4	T64 W65 E66	T64-T72 HydrophobicContact CG2-CG2 3.13Å; W65-T72 WeakPolarHBondContact O-CA 3.22Å; E66-T72 WeakPolarHBondContact OE1-CB 3.48Å; E66-T72 WeakPolarHBondContact OE1-CG2 3.25Å; E66-T72 PolarHBondContact OE1-OG1 3.1Å; E66-T72 PolarHBondContact OE2-OG1 3.31Å
73	I	98.6	Very high	97.3	Very high	7 Å²	7	59.4 Å²	59.4	4%	0.036	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	161.1	177	67.4	170.3	0	0	0	110.4	W65 L67 V75 P124 Q140	W65-I73 PolarHBondContact N-O 2.83Å; W65-I73 PolarHBondContact O-N 3.2Å; W65-I73 VanDerWaalsContact O-N 3.12Å; L67-I73 HydrophobicContact CD1-CD1 3.61Å; L67-I73 HydrophobicContact CD1-CG1 3.67Å; L67-I73 HydrophobicContact CG-CG1 4.34Å; I73-V75 HydrophobicContact CD1-CG2 4.2Å; I73-V75 HydrophobicContact CG1-CG2 4.13Å; I73-P124 HydrophobicContact CD1-CB 3.67Å; I73-Q140 HydrophobicContact CG2-CG 4.35Å
74	N	98.5	Very high	96.6	Very high	80 Å²	80	62.3 Å²	62.3	43%	0.428	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	145.8	164.4	-69.6	-35	0	0	0	109.9	E63 T64 E125	E63-N74 CarbonylContact O-C 3.56Å; E63-N74 WeakPolarHBondContact O-CA 3.36Å; T64-N74 PolarHBondContact OG1-OD1 3.48Å; N74-E125 HydrophobicContact CB-CB 4.17Å; N74-E125 HydrophobicContact CB-CG 4.18Å; N74-E125 WeakPolarHBondContact O-CB 3.43Å; N74-E125 PolarHBondContact O-N 2.77Å
75	V	98.8	Very high	96.1	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	119.3	171.9	-178	0	0	0	0	107.6	E63 W65 I73 F122 V123 T144	E63-V75 PolarHBondContact N-O 3.31Å; E63-V75 PolarHBondContact O-N 3.25Å; W65-V75 HydrophobicContact CB-CG2 4.03Å; W65-V75 HydrophobicContact CD2-CB 3.95Å; W65-V75 HydrophobicContact CD2-CG1 4.45Å; W65-V75 HydrophobicContact CD2-CG2 3.6Å; W65-V75 HydrophobicContact CE3-CB 4.39Å; W65-V75 HydrophobicContact CE3-CG2 3.77Å; W65-V75 HydrophobicContact CG-CB 4.17Å; W65-V75 HydrophobicContact CG-CG2 3.73Å; W65-V75 HydrophobicContact CH2-CG1 4.33Å; W65-V75 HydrophobicContact CZ2-CB 4.41Å; W65-V75 HydrophobicContact CZ2-CG1 4.19Å; W65-V75 HydrophobicContact CZ3-CG2 4.44Å; I73-V75 HydrophobicContact CD1-CG2 4.2Å; I73-V75 HydrophobicContact CG1-CG2 4.13Å; V75-F122 HydrophobicContact CG1-CB 4.18Å; V75-F122 HydrophobicContact CG1-CD1 4.13Å; V75-V123 WeakPolarHBondContact CA-O 3.44Å; V75-T144 HydrophobicContact CG1-CG2 4.42Å; V75-T144 HydrophobicContact CG2-CG2 4.19Å
76	R	98.8	Very high	95.9	Very high	27 Å²	27	67.2 Å²	67.2	10%	0.102	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	123.7	171.2	176.2	164.4	-70.5	178.1	-3.2	109.1	I60 D62 V78 A103 F122 V123	I60-R76 HydrophobicContact CG2-CG 3.99Å; D62-R76 WeakPolarHBondContact OD1-CA 3.4Å; D62-R76 WeakPolarHBondContact OD1-CB 3.29Å; D62-R76 WeakPolarHBondContact OD1-CG 3.49Å; D62-R76 IonicContact OD1-CZ 3.23Å; D62-R76 IonicContact OD1-NE 3.16Å; D62-R76 PolarHBondContact OD1-NE 2.83Å; D62-R76 IonicContact OD1-NH2 3.48Å; D62-R76 IonicContact OD2-CZ 3.82Å; D62-R76 IonicContact OD2-NE 3.62Å; D62-R76 IonicContact OD2-NH2 3.68Å; D62-R76 PolarHBondContact OD2-NH2 2.85Å; R76-V78 HydrophobicContact CG-CG2 3.79Å; R76-A103 HydrophobicContact CB-CB 3.77Å; R76-A103 HydrophobicContact CG-CB 4.39Å; R76-A103 PolarHBondContact NH1-O 2.87Å; R76-F122 CarbonylContact O-C 3.58Å; R76-F122 WeakPolarHBondContact O-CA 3.47Å; R76-V123 HydrophobicContact CB-CB 4.24Å; R76-V123 PolarHBondContact N-O 3.34Å; R76-V123 PolarHBondContact O-N 2.66Å
77	T	98.6	Very high	95.8	Very high	15 Å²	15	61.8 Å²	61.8	9%	0.092	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	128.9	171.1	-58.2	0	0	0	0	108.9	I60 Q61 I120 V121 F122	I60-T77 WeakPolarHBondContact CA-O 3.42Å; Q61-T77 PolarHBondContact N-O 2.85Å; Q61-T77 PolarHBondContact O-N 3.03Å; T77-I120 HydrophobicContact CG2-CD1 3.65Å; T77-I120 HydrophobicContact CG2-CG1 3.79Å; T77-V121 CarbonylContact C-O 3.59Å; T77-V121 WeakPolarHBondContact CA-O 3.36Å; T77-F122 HydrophobicContact CG2-CD1 4.3Å; T77-F122 HydrophobicContact CG2-CE1 3.91Å; T77-F122 HydrophobicContact CG2-CZ 4.38Å; T77-F122 WeakPolarHBondContact OG1-CD1 3.28Å; T77-F122 WeakPolarHBondContact OG1-CE1 3.32Å
78	V	98.6	Very high	95.8	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	128.1	176.9	-172.8	0	0	0	0	109	A58 D59 I60 R76 V110 R111 A114 V121	A58-V78 HydrophobicContact CB-CG1 3.81Å; D59-V78 WeakPolarHBondContact O-CA 3.25Å; I60-V78 HydrophobicContact CG1-CG1 4.13Å; I60-V78 HydrophobicContact CG1-CG2 4.16Å; R76-V78 HydrophobicContact CG-CG2 3.79Å; V78-V110 HydrophobicContact CB-CG1 3.86Å; V78-V110 HydrophobicContact CG1-CG1 4.36Å; V78-V110 HydrophobicContact CG2-CG1 3.53Å; V78-R111 HydrophobicContact CG1-CG 4.07Å; V78-A114 HydrophobicContact CB-CB 4.42Å; V78-A114 HydrophobicContact CG1-CB 3.89Å; V78-V121 HydrophobicContact CB-CB 4.47Å; V78-V121 PolarHBondContact N-O 2.85Å; V78-V121 PolarHBondContact O-N 3.17Å
79	K	97.7	Very high	95.8	Very high	77 Å²	77	58.4 Å²	58.4	34%	0.335	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	154.1	176.5	64.9	172.2	-179.6	165.8	0	111.8	A58 D59 L87 I120	A58-K79 WeakPolarHBondContact CA-O 3.24Å; A58-K79 WeakPolarHBondContact CB-O 3.38Å; D59-K79 HydrophobicContact CB-CG 3.85Å; D59-K79 PolarHBondContact N-O 3.45Å; D59-K79 PolarHBondContact O-N 2.98Å; D59-K79 WeakPolarHBondContact OD2-CE 3.38Å; K79-L87 HydrophobicContact CB-CD1 4.03Å; K79-I120 HydrophobicContact CB-CB 4.44Å; K79-I120 HydrophobicContact CB-CG1 4.3Å
80	P	97.8	Very high	95.9	Very high	11 Å²	11	50.1 Å²	50.1	7%	0.071	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	145.6	171	-6.4	14.6	0	0	0	111.2	T83 A114 S119	P80-T83 HydrophobicContact CB-CG2 3.7Å; P80-T83 HydrophobicContact CG-CG2 3.92Å; P80-T83 WeakPolarHBondContact O-CG2 3.42Å; P80-T83 PolarHBondContact O-OG1 3.28Å; P80-T83 VanDerWaalsContact O-OG1 3.05Å; P80-A114 WeakPolarHBondContact CG-O 3.49Å; P80-S119 VanDerWaalsContact CD-O 3.31Å; P80-S119 WeakPolarHBondContact CD-O 3.43Å
81	R	96.2	Very high	96	Very high	111 Å²	111	47.2 Å²	47.2	42%	0.419	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	154.2	173.6	-66	-68.2	-165.8	169.7	0.8	111.4	D57 D59 T83	D57-R81 VanDerWaalsContact CG-NE 3.35Å; D57-R81 IonicContact OD1-CZ 2.76Å; D57-R81 IonicContact OD1-NE 2.76Å; D57-R81 PolarHBondContact OD1-NE 3.47Å; D57-R81 IonicContact OD1-NH2 2.74Å; D57-R81 PolarHBondContact OD1-NH2 3.07Å; D57-R81 WeakPolarHBondContact OD2-CG 3.47Å; D57-R81 IonicContact OD2-CZ 2.7Å; D57-R81 IonicContact OD2-NE 3.16Å; D57-R81 PolarHBondContact OD2-NE 3.03Å; D57-R81 IonicContact OD2-NH2 2.77Å; D59-R81 WeakPolarHBondContact OD1-CD 3.46Å; D59-R81 IonicContact OD1-CZ 3.3Å; D59-R81 IonicContact OD1-NE 3.25Å; D59-R81 IonicContact OD1-NH1 3.73Å; D59-R81 PolarHBondContact OD1-NH1 3.23Å; R81-T83 PolarHBondContact O-N 2.89Å
82	D	92.1	Very high	96.1	Very high	155 Å²	155	45.7 Å²	45.7	83%	0.829	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.3	28.7	166.9	-54.3	-45	0	0	0	114.5
83	T	88.7	Confident	96.1	Very high	38 Å²	38	42.9 Å²	42.9	23%	0.233	22%	0.215	C	C	.	.			trans	-78.3	125.7	178.8	43	0	0	0	0	110.8	P80 R81 L87	P80-T83 HydrophobicContact CB-CG2 3.7Å; P80-T83 HydrophobicContact CG-CG2 3.92Å; P80-T83 WeakPolarHBondContact O-CG2 3.42Å; P80-T83 PolarHBondContact O-OG1 3.28Å; P80-T83 VanDerWaalsContact O-OG1 3.05Å; R81-T83 PolarHBondContact O-N 2.89Å; T83-L87 HydrophobicContact CG2-CD1 4.12Å; T83-L87 HydrophobicContact CG2-CD2 3.76Å; T83-L87 HydrophobicContact CG2-CG 4.48Å
84	T	84.4	Confident	96.1	Very high	140 Å²	140	42.6 Å²	42.6	86%	0.859	21%	0.213	S	C	*	.			trans	-110.8	-12.5	175	54.5	0	0	0	0	112.7
85	E	87.8	Confident	96.1	Very high	135 Å²	135	38.8 Å²	38.8	63%	0.631	19%	0.193	S	C	*	.	S	Bend	trans	-85.4	157.6	-179.9	-60.6	-177.3	165.1	0	0	111.7	L87 N118	E85-L87 PolarHBondContact O-N 2.99Å; E85-L87 VanDerWaalsContact O-N 3.16Å; E85-N118 PolarHBondContact OE2-ND2 3.28Å
86	K	92.8	Very high	96	Very high	89 Å²	89	39.2 Å²	39.2	39%	0.387	20%	0.196	S	C	.	.			trans	-73.6	104	170.6	-163.9	-172.9	-177.7	-154.3	0	109	Y156 D157 R160	K86-Y156 WeakPolarHBondContact CE-O 3.36Å; K86-D157 HydrophobicContact CD-CB 3.98Å; K86-D157 HydrophobicContact CG-CB 3.94Å; K86-D157 IonicContact NZ-OD1 2.83Å; K86-D157 PolarHBondContact NZ-OD1 2.68Å; K86-R160 PolarHBondContact O-NH2 3.38Å
87	L	97	Very high	96	Very high	8 Å²	8	38 Å²	38	4%	0.042	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	137.9	-171.7	-57.5	175.1	0	0	0	112	K79 T83 E85 N118 I120 Y156 D157	K79-L87 HydrophobicContact CB-CD1 4.03Å; T83-L87 HydrophobicContact CG2-CD1 4.12Å; T83-L87 HydrophobicContact CG2-CD2 3.76Å; T83-L87 HydrophobicContact CG2-CG 4.48Å; E85-L87 PolarHBondContact O-N 2.99Å; E85-L87 VanDerWaalsContact O-N 3.16Å; L87-N118 WeakPolarHBondContact CD2-O 2.93Å; L87-I120 HydrophobicContact CB-CB 4.21Å; L87-I120 HydrophobicContact CB-CG2 4.13Å; L87-I120 HydrophobicContact CD1-CB 4.12Å; L87-Y156 WeakPolarHBondContact O-CB 3.49Å; L87-D157 PolarHBondContact O-N 3.26Å
88	P	97.4	Very high	96	Very high	6 Å²	6	37.3 Å²	37.3	4%	0.039	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.4	154.6	164.2	25.8	-34.2	0	0	0	111.1	N118 S119 I120 R160 N323	P88-N118 VanDerWaalsContact CD-O 3.32Å; P88-N118 WeakPolarHBondContact CD-O 3.44Å; P88-S119 WeakPolarHBondContact CG-OG 3.37Å; P88-S119 CarbonylContact O-C 3.58Å; P88-S119 VanDerWaalsContact O-CA 3.32Å; P88-S119 WeakPolarHBondContact O-CA 3.43Å; P88-S119 WeakPolarHBondContact O-CB 3.01Å; P88-I120 WeakPolarHBondContact O-CG2 3.34Å; P88-I120 PolarHBondContact O-N 3.23Å; P88-R160 HydrophobicContact CB-CB 3.84Å; P88-N323 HydrophobicContact CG-CB 4.27Å; P88-N323 WeakPolarHBondContact CG-ND2 3.04Å
89	V	98.4	Very high	96	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	133.4	-173.5	176.5	0	0	0	0	110.6	I120 F122 L148 Y156 R160 I161 T162	V89-I120 HydrophobicContact CG2-CG2 3.98Å; V89-F122 HydrophobicContact CG1-CD2 3.98Å; V89-F122 HydrophobicContact CG1-CE2 4.11Å; V89-L148 HydrophobicContact CG1-CD1 3.9Å; V89-L148 HydrophobicContact CG1-CD2 4.49Å; V89-Y156 HydrophobicContact CG2-CD2 3.36Å; V89-Y156 HydrophobicContact CG2-CE2 4.11Å; V89-Y156 HydrophobicContact CG2-CG 3.96Å; V89-R160 PolarHBondContact N-O 3.07Å; V89-I161 HydrophobicContact CB-CG1 4.23Å; V89-I161 WeakPolarHBondContact O-CA 3.18Å; V89-T162 PolarHBondContact O-N 2.73Å
90	I	98.8	Very high	95.9	Very high	2 Å²	2	33.8 Å²	33.8	1%	0.01	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	120.3	164	-55.9	177.3	0	0	0	107.7	L113 I120 V121 F122 T162 A164 L319	I90-L113 HydrophobicContact CD1-CB 4.45Å; I90-I120 PolarHBondContact N-O 2.91Å; I90-V121 HydrophobicContact CB-CB 4.45Å; I90-V121 HydrophobicContact CB-CG1 4.16Å; I90-V121 HydrophobicContact CB-CG2 4.1Å; I90-V121 HydrophobicContact CD1-CG2 4.25Å; I90-V121 HydrophobicContact CG2-CG1 4.13Å; I90-V121 CarbonylContact O-C 3.59Å; I90-V121 VanDerWaalsContact O-CA 3.25Å; I90-V121 WeakPolarHBondContact O-CA 3.43Å; I90-F122 PolarHBondContact O-N 2.75Å; I90-T162 CarbonylContact C-O 3.55Å; I90-T162 WeakPolarHBondContact CA-O 3.22Å; I90-A164 HydrophobicContact CG2-CB 3.84Å; I90-L319 HydrophobicContact CD1-CD1 4.07Å
91	L	98.9	Very high	95.9	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	108.4	162.1	-178.6	67.3	0	0	0	107.3	I93 F122 P124 T144 L145 L148 T162 I163 A164 L176	L91-I93 HydrophobicContact CD1-CD1 4.36Å; L91-I93 HydrophobicContact CD2-CD1 4.13Å; L91-I93 HydrophobicContact CG-CD1 3.86Å; L91-F122 HydrophobicContact CD1-CB 3.94Å; L91-P124 HydrophobicContact CD1-CG 4.16Å; L91-T144 HydrophobicContact CD1-CG2 3.86Å; L91-L145 HydrophobicContact CD2-CB 3.83Å; L91-L145 HydrophobicContact CD2-CD1 4.49Å; L91-L148 HydrophobicContact CB-CD2 4.46Å; L91-L148 HydrophobicContact CD1-CD2 4.14Å; L91-T162 PolarHBondContact N-O 2.8Å; L91-I163 HydrophobicContact CB-CD1 3.75Å; L91-I163 HydrophobicContact CD2-CD1 4.04Å; L91-I163 HydrophobicContact CG-CD1 4.45Å; L91-I163 WeakPolarHBondContact O-CA 3.35Å; L91-A164 PolarHBondContact O-N 2.92Å; L91-L176 HydrophobicContact CD2-CD1 4.08Å
92	Y	98.9	Very high	96	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	117.8	-178.5	-167.8	-80.6	0	0	0	109.9	H106 L109 V110 L113 F122 V123 P124 A164 D166 Y194	Y92-H106 AromaticContact CE1-CD2 3.93Å; Y92-L109 WeakPolarHBondContact OH-CD2 3.43Å; Y92-V110 HydrophobicContact CD1-CG2 3.94Å; Y92-V110 HydrophobicContact CE1-CG2 4.36Å; Y92-V110 HydrophobicContact CG-CG2 4.2Å; Y92-L113 HydrophobicContact CD2-CD1 3.46Å; Y92-L113 VanDerWaalsContact CD2-CD1 3.46Å; Y92-L113 HydrophobicContact CE2-CD1 3.45Å; Y92-L113 VanDerWaalsContact CE2-CD1 3.45Å; Y92-F122 PolarHBondContact N-O 2.79Å; Y92-V123 WeakPolarHBondContact O-CA 3.17Å; Y92-P124 WeakPolarHBondContact O-CD 3.35Å; Y92-A164 CarbonylContact C-O 3.57Å; Y92-A164 WeakPolarHBondContact CA-O 3.41Å; Y92-A164 HydrophobicContact CD2-CB 3.6Å; Y92-A164 HydrophobicContact CE2-CB 4.1Å; Y92-A164 HydrophobicContact CG-CB 4.47Å; Y92-D166 PolarHBondContact OH-OD1 3.12Å; Y92-D166 VanDerWaalsContact OH-OD1 3.07Å; Y92-Y194 HydrophobicContact CE2-CE2 4.32Å
93	I	98.9	Very high	96.2	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	117.7	176.1	-46.3	-54.7	0	0	0	107.9	L91 P124 Y126 A164 G165 G169 M172 L176	L91-I93 HydrophobicContact CD1-CD1 4.36Å; L91-I93 HydrophobicContact CD2-CD1 4.13Å; L91-I93 HydrophobicContact CG-CD1 3.86Å; I93-P124 HydrophobicContact CD1-CG 3.48Å; I93-P124 VanDerWaalsContact CD1-CG 3.48Å; I93-Y126 HydrophobicContact CG2-CD1 4.08Å; I93-Y126 HydrophobicContact CG2-CE1 3.71Å; I93-A164 PolarHBondContact N-O 3.04Å; I93-G165 WeakPolarHBondContact O-CA 3.44Å; I93-G169 WeakPolarHBondContact O-CA 3.41Å; I93-M172 HydrophobicContact CG2-CB 4.04Å; I93-M172 HydrophobicContact CG2-CE 3.36Å; I93-M172 HydrophobicContact CG2-SD 4.08Å; I93-L176 HydrophobicContact CD1-CD1 4.07Å; I93-L176 HydrophobicContact CG1-CD1 4Å
94	H	98.7	Very high	96.7	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.005	12%	0.121	C	C	.	.	P	Polyproline II helix	trans	-71.3	147.1	-177.5	73	74.2	0	0	0	112.2	G101 H106 E125 Y126	H94-G101 VanDerWaalsContact CE1-C 3.43Å; H94-H106 HydrophobicContact CB-CB 4.46Å; H94-E125 IonicContact NE2-OE2 3.9Å; H94-Y126 AromaticContact CD2-CE1 3.67Å; H94-Y126 AromaticContact CE1-CE1 3.49Å; H94-Y126 VanDerWaalsContact CE1-CE1 3.49Å; H94-Y126 WeakPolarHBondContact CE1-CE1 3.31Å; H94-Y126 AromaticContact CE1-CZ 3.27Å; H94-Y126 PolarHBondContact CE1-OH 3.2Å; H94-Y126 AromaticContact CG-CE1 3.97Å; H94-Y126 AromaticContact ND1-CE1 3.87Å; H94-Y126 AromaticContact ND1-CZ 3.76Å; H94-Y126 PolarHBondContact ND1-OH 3.26Å; H94-Y126 AromaticContact NE2-CD1 3.88Å; H94-Y126 AromaticContact NE2-CE1 3.35Å; H94-Y126 VanDerWaalsContact NE2-CE1 3.35Å; H94-Y126 WeakPolarHBondContact NE2-CE1 3.43Å; H94-Y126 AromaticContact NE2-CZ 3.6Å; H94-Y126 PolarHBondContact O-OH 2.74Å
95	G	98.4	Very high	97.3	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.081	C	C	.	.			trans	-81.3	-142.1	177.1	0	0	0	0	0	114.3	H106 D166	G95-H106 PolarHBondContact N-NE2 2.97Å; G95-H106 VanDerWaalsContact N-NE2 3.17Å; G95-D166 VanDerWaalsContact CA-O 3.26Å; G95-D166 WeakPolarHBondContact CA-O 3.33Å; G95-D166 WeakPolarHBondContact CA-OD2 3.09Å; G95-D166 PolarHBondContact N-OD1 2.8Å; G95-D166 PolarHBondContact N-OD2 2.87Å
96	A	98	Very high	97.8	Very high	8 Å²	8	10.2 Å²	10.2	7%	0.066	5%	0.051	C	C	.	.	S	Bend	trans	69	50.5	-175.4	0	0	0	0	0	116	L45 W98 V99 L100	L45-A96 HydrophobicContact CD2-CB 3.31Å; A96-W98 PolarHBondContact O-N 3.16Å; A96-V99 PolarHBondContact O-N 2.92Å; A96-L100 HydrophobicContact CB-CB 4.13Å; A96-L100 PolarHBondContact O-N 3.38Å
97	G	98	Very high	98.1	Very high	2 Å²	2	6.2 Å²	6.2	2%	0.021	3%	0.033	C	C	.	.	T	Hydrogen-bonded Turn	trans	71	20	160	0	0	0	0	0	116.8	V99 V168 F224	G97-V99 VanDerWaalsContact O-CG2 3.3Å; G97-V99 WeakPolarHBondContact O-CG2 3.42Å; G97-V99 PolarHBondContact O-N 3.18Å; G97-V168 VanDerWaalsContact N-CG2 3.26Å; G97-F224 WeakPolarHBondContact O-CD1 3.43Å
98	W	98.7	Very high	98.2	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	3%	0.033	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.4	-5.4	-172.8	-54.6	-84.8	0	0	0	113.9	A96 R128 S129 V168 N171 V197 F224 W225 Y228	A96-W98 PolarHBondContact O-N 3.16Å; W98-R128 CarbonylContact O-C 3.57Å; W98-R128 WeakPolarHBondContact O-CA 3.3Å; W98-R128 WeakPolarHBondContact O-CB 3.45Å; W98-S129 PolarHBondContact O-N 2.84Å; W98-V168 HydrophobicContact CD2-CB 3.7Å; W98-V168 HydrophobicContact CD2-CG1 3.62Å; W98-V168 HydrophobicContact CD2-CG2 4.32Å; W98-V168 VanDerWaalsContact CE2-CB 3.46Å; W98-V168 HydrophobicContact CE3-CB 4.1Å; W98-V168 HydrophobicContact CE3-CG1 3.47Å; W98-V168 VanDerWaalsContact CE3-CG1 3.47Å; W98-V168 HydrophobicContact CG-CB 4.2Å; W98-V168 HydrophobicContact CG-CG1 4.49Å; W98-V168 HydrophobicContact CG-CG2 4.38Å; W98-V168 HydrophobicContact CH2-CB 4.06Å; W98-V168 HydrophobicContact CH2-CG1 3.4Å; W98-V168 VanDerWaalsContact CH2-CG1 3.4Å; W98-V168 HydrophobicContact CZ2-CB 3.66Å; W98-V168 HydrophobicContact CZ2-CG1 3.57Å; W98-V168 HydrophobicContact CZ3-CB 4.26Å; W98-V168 HydrophobicContact CZ3-CG1 3.34Å; W98-N171 HydrophobicContact CZ2-CB 4.2Å; W98-V197 HydrophobicContact CH2-CG1 4.06Å; W98-F224 HydrophobicContact CE3-CB 4.19Å; W98-F224 HydrophobicContact CZ3-CB 4.25Å; W98-W225 AromaticContact CH2-CD2 3.94Å; W98-W225 HydrophobicContact CH2-CD2 3.94Å; W98-W225 AromaticContact CH2-CE2 3.78Å; W98-W225 AromaticContact CH2-CE3 3.99Å; W98-W225 HydrophobicContact CH2-CE3 3.99Å; W98-W225 AromaticContact CH2-CH2 3.73Å; W98-W225 HydrophobicContact CH2-CH2 3.73Å; W98-W225 AromaticContact CH2-CZ2 3.74Å; W98-W225 HydrophobicContact CH2-CZ2 3.74Å; W98-W225 AromaticContact CH2-CZ3 3.83Å; W98-W225 HydrophobicContact CH2-CZ3 3.83Å; W98-W225 HydrophobicContact CZ2-CH2 4.15Å; W98-W225 HydrophobicContact CZ2-CZ3 4.24Å; W98-W225 AromaticContact CZ3-CD2 3.99Å; W98-W225 HydrophobicContact CZ3-CD2 3.99Å; W98-W225 HydrophobicContact CZ3-CE3 4.18Å; W98-W225 HydrophobicContact CZ3-CG 4.37Å; W98-W225 HydrophobicContact CZ3-CZ3 4.46Å; W98-Y228 HydrophobicContact CB-CD2 3.9Å; W98-Y228 HydrophobicContact CB-CG 4.3Å; W98-Y228 AromaticContact CD1-CD2 3.66Å; W98-Y228 AromaticContact CD1-CE2 3.51Å; W98-Y228 AromaticContact CD1-CZ 3.89Å; W98-Y228 AromaticContact CD2-CD1 3.88Å; W98-Y228 HydrophobicContact CD2-CD1 3.88Å; W98-Y228 AromaticContact CD2-CD2 3.92Å; W98-Y228 HydrophobicContact CD2-CD2 3.92Å; W98-Y228 HydrophobicContact CD2-CE1 4.28Å; W98-Y228 HydrophobicContact CD2-CE2 4.33Å; W98-Y228 AromaticContact CD2-CG 3.67Å; W98-Y228 HydrophobicContact CD2-CG 3.67Å; W98-Y228 AromaticContact CE2-CD1 3.78Å; W98-Y228 AromaticContact CE2-CE1 3.74Å; W98-Y228 AromaticContact CE2-CZ 3.94Å; W98-Y228 HydrophobicContact CE3-CD1 4.13Å; W98-Y228 AromaticContact CE3-CG 3.98Å; W98-Y228 HydrophobicContact CE3-CG 3.98Å; W98-Y228 HydrophobicContact CG-CD1 4.4Å; W98-Y228 AromaticContact CG-CD2 3.56Å; W98-Y228 HydrophobicContact CG-CD2 3.56Å; W98-Y228 AromaticContact CG-CE2 3.92Å; W98-Y228 HydrophobicContact CG-CE2 3.92Å; W98-Y228 AromaticContact CG-CG 3.82Å; W98-Y228 HydrophobicContact CG-CG 3.82Å; W98-Y228 HydrophobicContact CH2-CD1 4.29Å; W98-Y228 HydrophobicContact CZ2-CD1 4.02Å; W98-Y228 AromaticContact CZ2-CE1 3.93Å; W98-Y228 HydrophobicContact CZ2-CE1 3.93Å; W98-Y228 HydrophobicContact CZ3-CD1 4.34Å; W98-Y228 AromaticContact NE1-CE1 3.85Å; W98-Y228 AromaticContact NE1-CE2 3.68Å; W98-Y228 AromaticContact NE1-CZ 3.54Å
99	V	98.7	Very high	98.2	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.031	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.2	-40.3	-166.4	178.8	0	0	0	0	112.4	I38 R42 A96 G97 S129 W223 F224 H227	I38-V99 HydrophobicContact CG1-CG1 4.43Å; I38-V99 HydrophobicContact CG2-CG1 4.04Å; R42-V99 PolarHBondContact NE-O 3.32Å; R42-V99 PolarHBondContact NH2-O 2.77Å; A96-V99 PolarHBondContact O-N 2.92Å; G97-V99 VanDerWaalsContact O-CG2 3.3Å; G97-V99 WeakPolarHBondContact O-CG2 3.42Å; G97-V99 PolarHBondContact O-N 3.18Å; V99-S129 WeakPolarHBondContact CA-O 3.13Å; V99-S129 WeakPolarHBondContact CG1-O 3.26Å; V99-S129 WeakPolarHBondContact CG2-O 3.4Å; V99-W223 HydrophobicContact CB-CH2 4.31Å; V99-W223 HydrophobicContact CB-CZ3 4.01Å; V99-W223 HydrophobicContact CG1-CH2 3.61Å; V99-W223 HydrophobicContact CG1-CZ3 3.83Å; V99-W223 HydrophobicContact CG2-CH2 4.49Å; V99-W223 HydrophobicContact CG2-CZ3 4.05Å; V99-F224 HydrophobicContact CB-CD1 4.38Å; V99-F224 HydrophobicContact CG2-CD1 4.27Å; V99-H227 HydrophobicContact CG2-CB 3.76Å
100	L	95.5	Very high	98.2	Very high	4 Å²	4	6 Å²	6	2%	0.021	3%	0.032	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.8	-38.4	-160.9	-54.4	177.6	0	0	0	114.6	I33 A41 R42 L45 A96 R128 W223 F224	I33-L100 HydrophobicContact CD1-CD1 3.74Å; I33-L100 HydrophobicContact CG1-CD1 3.89Å; A41-L100 HydrophobicContact CB-CD1 4.47Å; A41-L100 HydrophobicContact CB-CD2 3.41Å; A41-L100 VanDerWaalsContact CB-CD2 3.41Å; R42-L100 HydrophobicContact CG-CD2 4.04Å; L45-L100 HydrophobicContact CB-CB 4.41Å; L45-L100 HydrophobicContact CD2-CB 3.61Å; A96-L100 HydrophobicContact CB-CB 4.13Å; A96-L100 PolarHBondContact O-N 3.38Å; L100-R128 PolarHBondContact O-NH1 3.31Å; L100-W223 HydrophobicContact CD2-CH2 4.41Å; L100-F224 HydrophobicContact CD1-CE1 3.75Å; L100-F224 HydrophobicContact CD1-CZ 3.95Å; L100-F224 HydrophobicContact CG-CE1 4.06Å
101	G	97.2	Very high	98.2	Very high	1 Å²	1	8.2 Å²	8.2	1%	0.01	4%	0.04	C	C	.	.			trans	-73.6	178.2	-168.6	0	0	0	0	0	116.1	H94 R128	H94-G101 VanDerWaalsContact CE1-C 3.43Å; G101-R128 WeakPolarHBondContact O-CD 3.32Å; G101-R128 PolarHBondContact O-NH1 3.46Å
102	S	97.9	Very high	98.2	Very high	9 Å²	9	8.8 Å²	8.8	6%	0.063	4%	0.042	C	C	.	.			trans	-158.4	175.6	174.7	66.1	0	0	0	0	109.7	E46 Q104 T105 H106 E125	E46-S102 PolarHBondContact OE1-OG 3.35Å; S102-Q104 PolarHBondContact O-N 2.83Å; S102-Q104 WeakPolarHBondContact OG-CB 3.32Å; S102-Q104 PolarHBondContact OG-N 2.72Å; S102-Q104 VanDerWaalsContact OG-N 3.13Å; S102-T105 PolarHBondContact N-OG1 2.95Å; S102-T105 VanDerWaalsContact N-OG1 3.1Å; S102-T105 PolarHBondContact O-N 2.69Å; S102-T105 PolarHBondContact O-OG1 3.46Å; S102-T105 PolarHBondContact OG-N 2.9Å; S102-T105 VanDerWaalsContact OG-N 3.16Å; S102-H106 PolarHBondContact O-ND1 2.77Å; S102-H106 VanDerWaalsContact O-ND1 3.16Å; S102-E125 WeakPolarHBondContact CA-OE2 3.37Å
103	A	97.8	Very high	98.2	Very high	1 Å²	1	8.8 Å²	8.8	1%	0.008	4%	0.042	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-21.1	167.9	0	0	0	0	0	112.2	R76 D107 V123 E125	R76-A103 HydrophobicContact CB-CB 3.77Å; R76-A103 HydrophobicContact CG-CB 4.39Å; R76-A103 PolarHBondContact NH1-O 2.87Å; A103-D107 PolarHBondContact O-N 2.93Å; A103-V123 HydrophobicContact CB-CB 4.03Å; A103-V123 HydrophobicContact CB-CG1 3.69Å; A103-E125 WeakPolarHBondContact CA-OE1 3.28Å; A103-E125 HydrophobicContact CB-CG 4.27Å; A103-E125 WeakPolarHBondContact CB-OE1 3.13Å; A103-E125 VanDerWaalsContact N-CD 3.26Å; A103-E125 PolarHBondContact N-OE1 2.99Å; A103-E125 PolarHBondContact N-OE2 3.05Å
104	Q	97.7	Very high	98.2	Very high	83 Å²	83	8.8 Å²	8.8	39%	0.388	4%	0.042	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-43.6	175.6	-176.9	58.1	27.4	0	0	112.1	S102 H106 D107	S102-Q104 PolarHBondContact O-N 2.83Å; S102-Q104 WeakPolarHBondContact OG-CB 3.32Å; S102-Q104 PolarHBondContact OG-N 2.72Å; S102-Q104 VanDerWaalsContact OG-N 3.13Å; Q104-H106 PolarHBondContact O-N 3.07Å; Q104-H106 VanDerWaalsContact O-N 3.15Å; Q104-D107 VanDerWaalsContact O-CB 3.25Å; Q104-D107 WeakPolarHBondContact O-CB 3.45Å; Q104-D107 PolarHBondContact O-N 2.86Å; Q104-D107 VanDerWaalsContact O-N 3.13Å
105	T	98.2	Very high	98.2	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-25.6	177.2	58.6	0	0	0	0	112.2	L45 E46 Q49 S102	L45-T105 HydrophobicContact CD2-CG2 4.21Å; L45-T105 HydrophobicContact CG-CG2 4.04Å; E46-T105 HydrophobicContact CG-CG2 4.13Å; E46-T105 WeakPolarHBondContact OE1-CG2 3.32Å; E46-T105 VanDerWaalsContact OE2-CG2 3.31Å; E46-T105 WeakPolarHBondContact OE2-CG2 3.48Å; Q49-T105 WeakPolarHBondContact CG-O 3.36Å; Q49-T105 PolarHBondContact NE2-O 2.83Å; S102-T105 PolarHBondContact N-OG1 2.95Å; S102-T105 VanDerWaalsContact N-OG1 3.1Å; S102-T105 PolarHBondContact O-N 2.69Å; S102-T105 PolarHBondContact O-OG1 3.46Å; S102-T105 PolarHBondContact OG-N 2.9Å; S102-T105 VanDerWaalsContact OG-N 3.16Å
106	H	98.5	Very high	98.2	Very high	1 Å²	1	14.3 Å²	14.3	1%	0.005	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102	5.9	-179.3	-63.3	63.7	0	0	0	113.7	Y92 H94 G95 S102 Q104 K108 L109 V110 D166	Y92-H106 AromaticContact CE1-CD2 3.93Å; H94-H106 HydrophobicContact CB-CB 4.46Å; G95-H106 PolarHBondContact N-NE2 2.97Å; G95-H106 VanDerWaalsContact N-NE2 3.17Å; S102-H106 PolarHBondContact O-ND1 2.77Å; S102-H106 VanDerWaalsContact O-ND1 3.16Å; Q104-H106 PolarHBondContact O-N 3.07Å; Q104-H106 VanDerWaalsContact O-N 3.15Å; H106-K108 VanDerWaalsContact C-N 3.34Å; H106-K108 PolarHBondContact O-N 3.42Å; H106-L109 PolarHBondContact O-N 2.62Å; H106-L109 VanDerWaalsContact O-N 3.08Å; H106-V110 HydrophobicContact CB-CG2 4.09Å; H106-V110 WeakPolarHBondContact O-CG2 3.45Å; H106-V110 PolarHBondContact O-N 3.15Å; H106-D166 IonicContact CD2-OD1 3.77Å; H106-D166 PolarHBondContact CD2-OD1 3.39Å; H106-D166 VanDerWaalsContact CD2-OD1 3.23Å; H106-D166 IonicContact CD2-OD2 3.56Å; H106-D166 IonicContact NE2-OD1 2.75Å; H106-D166 PolarHBondContact NE2-OD1 3.33Å; H106-D166 VanDerWaalsContact NE2-OD1 3.1Å; H106-D166 IonicContact NE2-OD2 3.6Å; H106-D166 PolarHBondContact NE2-OD2 3.43Å
107	D	98.4	Very high	98.2	Very high	4 Å²	4	14 Å²	14	2%	0.021	7%	0.066	C	C	.	.	H	α-helix	trans	-51.3	-47.6	-171.2	175.1	53.7	0	0	0	112.9	K55 A103 Q104 R111	K55-D107 WeakPolarHBondContact CD-OD2 3.3Å; K55-D107 WeakPolarHBondContact CE-OD2 3.35Å; K55-D107 IonicContact NZ-OD2 3.16Å; K55-D107 PolarHBondContact NZ-OD2 3.45Å; A103-D107 PolarHBondContact O-N 2.93Å; Q104-D107 VanDerWaalsContact O-CB 3.25Å; Q104-D107 WeakPolarHBondContact O-CB 3.45Å; Q104-D107 PolarHBondContact O-N 2.86Å; Q104-D107 VanDerWaalsContact O-N 3.13Å; D107-R111 VanDerWaalsContact CG-NE 3.26Å; D107-R111 WeakPolarHBondContact O-CB 3.22Å; D107-R111 WeakPolarHBondContact O-CG 3.26Å; D107-R111 PolarHBondContact O-N 3.39Å; D107-R111 IonicContact OD1-CZ 3.87Å; D107-R111 IonicContact OD1-NE 2.67Å; D107-R111 PolarHBondContact OD1-NE 3.39Å; D107-R111 IonicContact OD1-NH2 3.73Å; D107-R111 PolarHBondContact OD1-NH2 3.16Å; D107-R111 IonicContact OD2-CZ 2.82Å; D107-R111 IonicContact OD2-NE 2.98Å; D107-R111 PolarHBondContact OD2-NE 3.35Å; D107-R111 VanDerWaalsContact OD2-NE 3.16Å; D107-R111 IonicContact OD2-NH2 2.69Å; D107-R111 PolarHBondContact OD2-NH2 3.15Å
108	K	98.5	Very high	98.1	Very high	8 Å²	8	16.7 Å²	16.7	4%	0.035	8%	0.08	C	C	.	.	H	α-helix	trans	-61.1	-50.7	179.1	-179.5	-76.9	-157.3	-179.2	0	111.4	V53 K55 H106 R111 E112 D303 R309	V53-K108 HydrophobicContact CG1-CB 4.29Å; V53-K108 HydrophobicContact CG1-CG 3.95Å; V53-K108 HydrophobicContact CG2-CD 4.44Å; V53-K108 HydrophobicContact CG2-CG 3.89Å; K55-K108 HydrophobicContact CG-CB 4.14Å; K55-K108 HydrophobicContact CG-CG 4.21Å; H106-K108 VanDerWaalsContact C-N 3.34Å; H106-K108 PolarHBondContact O-N 3.42Å; K108-R111 PolarHBondContact O-N 3.11Å; K108-E112 IonicContact NZ-OE2 2.81Å; K108-E112 PolarHBondContact NZ-OE2 2.86Å; K108-E112 WeakPolarHBondContact O-CB 3.49Å; K108-E112 PolarHBondContact O-N 3.02Å; K108-D303 WeakPolarHBondContact CE-OD1 3.44Å; K108-D303 IonicContact NZ-OD1 3.44Å; K108-D303 PolarHBondContact NZ-OD1 3.25Å; K108-R309 VanDerWaalsContact NZ-NH2 3.17Å
109	L	98.8	Very high	98.1	Very high	1 Å²	1	16.7 Å²	16.7	1%	0.005	8%	0.08	C	C	.	.	H	α-helix	trans	-63	-43.4	-177.6	176	54.4	0	0	0	111.5	Y92 H106 E112 L113 V297 M298 M312	Y92-L109 WeakPolarHBondContact OH-CD2 3.43Å; H106-L109 PolarHBondContact O-N 2.62Å; H106-L109 VanDerWaalsContact O-N 3.08Å; L109-E112 PolarHBondContact O-N 2.88Å; L109-L113 HydrophobicContact CD1-CG 4.45Å; L109-L113 WeakPolarHBondContact O-CG 3.46Å; L109-L113 PolarHBondContact O-N 3.43Å; L109-V297 HydrophobicContact CD1-CB 4.38Å; L109-V297 HydrophobicContact CD1-CG2 4.41Å; L109-V297 HydrophobicContact CD2-CB 4.44Å; L109-V297 HydrophobicContact CD2-CG2 3.81Å; L109-M298 HydrophobicContact CD2-CB 4.47Å; L109-M312 HydrophobicContact CD1-CE 3.49Å; L109-M312 VanDerWaalsContact CD1-CE 3.49Å; L109-M312 HydrophobicContact CD1-SD 3.7Å
110	V	98.8	Very high	98.1	Very high	2 Å²	2	17.4 Å²	17.4	1%	0.012	8%	0.084	C	C	.	.	H	α-helix	trans	-65	-43.6	179	169.8	0	0	0	0	111.4	V78 Y92 H106 E112 L113 A114 V121 V123	V78-V110 HydrophobicContact CB-CG1 3.86Å; V78-V110 HydrophobicContact CG1-CG1 4.36Å; V78-V110 HydrophobicContact CG2-CG1 3.53Å; Y92-V110 HydrophobicContact CD1-CG2 3.94Å; Y92-V110 HydrophobicContact CE1-CG2 4.36Å; Y92-V110 HydrophobicContact CG-CG2 4.2Å; H106-V110 HydrophobicContact CB-CG2 4.09Å; H106-V110 WeakPolarHBondContact O-CG2 3.45Å; H106-V110 PolarHBondContact O-N 3.15Å; V110-E112 VanDerWaalsContact C-N 3.31Å; V110-E112 PolarHBondContact O-N 2.67Å; V110-L113 PolarHBondContact O-N 3.08Å; V110-A114 WeakPolarHBondContact O-CB 3.3Å; V110-A114 PolarHBondContact O-N 2.86Å; V110-V121 HydrophobicContact CG1-CB 4.03Å; V110-V121 HydrophobicContact CG1-CG1 3.78Å; V110-V123 HydrophobicContact CB-CG2 4.38Å; V110-V123 HydrophobicContact CG1-CG2 3.7Å; V110-V123 HydrophobicContact CG2-CG2 3.78Å
111	R	98.8	Very high	98.2	Very high	48 Å²	48	17.2 Å²	17.2	18%	0.181	8%	0.083	C	C	.	.	H	α-helix	trans	-60	-43.3	172.4	-71.2	169.2	-173.7	-125.9	7.4	111.6	L56 A58 I60 V78 D107 K108 L113 A114 V115	L56-R111 WeakPolarHBondContact O-CD 3.35Å; A58-R111 HydrophobicContact CB-CG 4.29Å; I60-R111 HydrophobicContact CD1-CG 4.35Å; V78-R111 HydrophobicContact CG1-CG 4.07Å; D107-R111 VanDerWaalsContact CG-NE 3.26Å; D107-R111 WeakPolarHBondContact O-CB 3.22Å; D107-R111 WeakPolarHBondContact O-CG 3.26Å; D107-R111 PolarHBondContact O-N 3.39Å; D107-R111 IonicContact OD1-CZ 3.87Å; D107-R111 IonicContact OD1-NE 2.67Å; D107-R111 PolarHBondContact OD1-NE 3.39Å; D107-R111 IonicContact OD1-NH2 3.73Å; D107-R111 PolarHBondContact OD1-NH2 3.16Å; D107-R111 IonicContact OD2-CZ 2.82Å; D107-R111 IonicContact OD2-NE 2.98Å; D107-R111 PolarHBondContact OD2-NE 3.35Å; D107-R111 VanDerWaalsContact OD2-NE 3.16Å; D107-R111 IonicContact OD2-NH2 2.69Å; D107-R111 PolarHBondContact OD2-NH2 3.15Å; K108-R111 PolarHBondContact O-N 3.11Å; R111-L113 VanDerWaalsContact C-N 3.34Å; R111-L113 PolarHBondContact O-N 2.66Å; R111-A114 PolarHBondContact O-N 3.39Å; R111-V115 WeakPolarHBondContact O-CB 3.42Å; R111-V115 WeakPolarHBondContact O-CG2 3.24Å; R111-V115 PolarHBondContact O-N 3.27Å
112	E	98.6	Very high	98.3	Very high	11 Å²	11	17.5 Å²	17.5	5%	0.051	8%	0.083	C	C	.	.	H	α-helix	trans	-60.6	-45.1	179.6	-174.1	166.6	-173.9	0	0	111.2	L56 K108 L109 V110 R116 R309 M312	L56-E112 HydrophobicContact CD1-CG 4.46Å; K108-E112 IonicContact NZ-OE2 2.81Å; K108-E112 PolarHBondContact NZ-OE2 2.86Å; K108-E112 WeakPolarHBondContact O-CB 3.49Å; K108-E112 PolarHBondContact O-N 3.02Å; L109-E112 PolarHBondContact O-N 2.88Å; V110-E112 VanDerWaalsContact C-N 3.31Å; V110-E112 PolarHBondContact O-N 2.67Å; E112-R116 HydrophobicContact CG-CG 4.17Å; E112-R116 WeakPolarHBondContact O-CB 3.36Å; E112-R116 VanDerWaalsContact O-CG 3.25Å; E112-R116 WeakPolarHBondContact O-CG 3.35Å; E112-R116 PolarHBondContact O-N 2.96Å; E112-R116 WeakPolarHBondContact OE1-CD 3.19Å; E112-R116 IonicContact OE1-CZ 3.45Å; E112-R116 IonicContact OE1-NE 3.82Å; E112-R116 IonicContact OE1-NH1 3.18Å; E112-R116 PolarHBondContact OE1-NH1 2.99Å; E112-R309 IonicContact OE1-CZ 3.5Å; E112-R309 IonicContact OE1-NH1 3.69Å; E112-R309 PolarHBondContact OE1-NH1 2.75Å; E112-R309 IonicContact OE1-NH2 2.97Å; E112-R309 IonicContact OE2-CZ 3.65Å; E112-R309 IonicContact OE2-NH1 3.22Å; E112-R309 PolarHBondContact OE2-NH1 2.9Å; E112-R309 IonicContact OE2-NH2 3.53Å; E112-R309 PolarHBondContact OE2-NH2 3.31Å; E112-M312 HydrophobicContact CB-CE 4.19Å; E112-M312 HydrophobicContact CG-CE 3.7Å; E112-M312 WeakPolarHBondContact OE1-CB 3.09Å
113	L	98.8	Very high	98.3	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-62.1	-49.1	173.5	-71.7	174.1	0	0	0	112.1	I90 Y92 L109 V110 R111 V115 T117 L192 M312 T316 L319	I90-L113 HydrophobicContact CD1-CB 4.45Å; Y92-L113 HydrophobicContact CD2-CD1 3.46Å; Y92-L113 VanDerWaalsContact CD2-CD1 3.46Å; Y92-L113 HydrophobicContact CE2-CD1 3.45Å; Y92-L113 VanDerWaalsContact CE2-CD1 3.45Å; L109-L113 HydrophobicContact CD1-CG 4.45Å; L109-L113 WeakPolarHBondContact O-CG 3.46Å; L109-L113 PolarHBondContact O-N 3.43Å; V110-L113 PolarHBondContact O-N 3.08Å; R111-L113 VanDerWaalsContact C-N 3.34Å; R111-L113 PolarHBondContact O-N 2.66Å; L113-V115 PolarHBondContact O-N 3.44Å; L113-T117 WeakPolarHBondContact O-CB 3.37Å; L113-T117 WeakPolarHBondContact O-CG2 3.47Å; L113-T117 PolarHBondContact O-N 3.03Å; L113-T117 VanDerWaalsContact O-N 3.14Å; L113-T117 PolarHBondContact O-OG1 2.95Å; L113-L192 HydrophobicContact CD2-CD2 4.08Å; L113-M312 HydrophobicContact CD2-CE 4.27Å; L113-M312 HydrophobicContact CG-CE 4.5Å; L113-T316 HydrophobicContact CD2-CG2 4.2Å; L113-L319 HydrophobicContact CD2-CD1 4.24Å
114	A	98.6	Very high	98.4	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-55.2	-55.8	-179.2	0	0	0	0	0	111.1	V78 P80 V110 R111 N118 S119 V121	V78-A114 HydrophobicContact CB-CB 4.42Å; V78-A114 HydrophobicContact CG1-CB 3.89Å; P80-A114 WeakPolarHBondContact CG-O 3.49Å; V110-A114 WeakPolarHBondContact O-CB 3.3Å; V110-A114 PolarHBondContact O-N 2.86Å; R111-A114 PolarHBondContact O-N 3.39Å; A114-N118 WeakPolarHBondContact O-CA 3.35Å; A114-N118 PolarHBondContact O-N 3.15Å; A114-N118 VanDerWaalsContact O-N 3.1Å; A114-S119 WeakPolarHBondContact CA-O 3.45Å; A114-S119 PolarHBondContact O-N 2.89Å; A114-V121 HydrophobicContact CB-CG2 3.6Å
115	V	98.4	Very high	98.4	Very high	48 Å²	48	15.3 Å²	15.3	29%	0.291	7%	0.072	S	C	.	.	H	α-helix	trans	-69.8	-48.2	-173.8	176.3	0	0	0	0	111.9	L56 D57 A58 R111 L113 T117 N118	L56-V115 HydrophobicContact CB-CB 4.16Å; L56-V115 HydrophobicContact CB-CG1 4.29Å; L56-V115 HydrophobicContact CB-CG2 3.95Å; L56-V115 HydrophobicContact CD1-CB 3.79Å; L56-V115 HydrophobicContact CD1-CG1 3.8Å; D57-V115 WeakPolarHBondContact O-CG2 3.3Å; A58-V115 HydrophobicContact CB-CG2 4.18Å; R111-V115 WeakPolarHBondContact O-CB 3.42Å; R111-V115 WeakPolarHBondContact O-CG2 3.24Å; R111-V115 PolarHBondContact O-N 3.27Å; L113-V115 PolarHBondContact O-N 3.44Å; V115-T117 VanDerWaalsContact C-N 3.25Å; V115-T117 PolarHBondContact O-N 3.13Å; V115-N118 PolarHBondContact O-N 3.2Å
116	R	98.1	Very high	98.5	Very high	69 Å²	69	15.5 Å²	15.5	26%	0.26	7%	0.073	S	C	.	.	H	α-helix	trans	-72.8	-18.5	-174.6	-66	177.1	60.1	157.2	7.9	113.8	L56 E112 M312 D313 T316 N320	L56-R116 HydrophobicContact CD1-CG 3.93Å; E112-R116 HydrophobicContact CG-CG 4.17Å; E112-R116 WeakPolarHBondContact O-CB 3.36Å; E112-R116 VanDerWaalsContact O-CG 3.25Å; E112-R116 WeakPolarHBondContact O-CG 3.35Å; E112-R116 PolarHBondContact O-N 2.96Å; E112-R116 WeakPolarHBondContact OE1-CD 3.19Å; E112-R116 IonicContact OE1-CZ 3.45Å; E112-R116 IonicContact OE1-NE 3.82Å; E112-R116 IonicContact OE1-NH1 3.18Å; E112-R116 PolarHBondContact OE1-NH1 2.99Å; R116-M312 VanDerWaalsContact NH1-CB 3.34Å; R116-D313 IonicContact CZ-OD1 3.26Å; R116-D313 IonicContact NH1-OD1 3.1Å; R116-D313 PolarHBondContact NH1-OD1 3.37Å; R116-D313 VanDerWaalsContact NH2-CA 3.32Å; R116-D313 IonicContact NH2-OD1 3.6Å; R116-D313 PolarHBondContact NH2-OD1 3.24Å; R116-T316 HydrophobicContact CB-CG2 3.81Å; R116-T316 PolarHBondContact NE-OG1 3.32Å; R116-T316 PolarHBondContact NH2-OG1 2.93Å; R116-N320 PolarHBondContact O-ND2 3.23Å
117	T	97.7	Very high	98.5	Very high	2 Å²	2	19.2 Å²	19.2	1%	0.012	9%	0.093	C	C	.	.	H	α-helix	trans	-107.9	-0.2	178.9	70.9	0	0	0	0	114.1	L113 V115 S119 T316 L319 N320 N323	L113-T117 WeakPolarHBondContact O-CB 3.37Å; L113-T117 WeakPolarHBondContact O-CG2 3.47Å; L113-T117 PolarHBondContact O-N 3.03Å; L113-T117 VanDerWaalsContact O-N 3.14Å; L113-T117 PolarHBondContact O-OG1 2.95Å; V115-T117 VanDerWaalsContact C-N 3.25Å; V115-T117 PolarHBondContact O-N 3.13Å; T117-S119 PolarHBondContact O-N 2.78Å; T117-S119 PolarHBondContact O-OG 2.95Å; T117-S119 VanDerWaalsContact OG1-CB 3.27Å; T117-S119 WeakPolarHBondContact OG1-CB 3.33Å; T117-S119 PolarHBondContact OG1-OG 3Å; T117-T316 HydrophobicContact CG2-CG2 3.93Å; T117-L319 HydrophobicContact CG2-CB 3.93Å; T117-L319 HydrophobicContact CG2-CD1 3.73Å; T117-L319 HydrophobicContact CG2-CG 4.47Å; T117-N320 VanDerWaalsContact CA-OD1 3.23Å; T117-N320 WeakPolarHBondContact CA-OD1 3.33Å; T117-N320 PolarHBondContact O-OD1 3.18Å; T117-N323 PolarHBondContact O-ND2 2.9Å
118	N	96.8	Very high	98.5	Very high	59 Å²	59	22.3 Å²	22.3	32%	0.316	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.4	46.6	-171.2	-164.6	40	0	0	0	111.7	E85 L87 P88 A114 V115	E85-N118 PolarHBondContact OE2-ND2 3.28Å; L87-N118 WeakPolarHBondContact CD2-O 2.93Å; P88-N118 VanDerWaalsContact CD-O 3.32Å; P88-N118 WeakPolarHBondContact CD-O 3.44Å; A114-N118 WeakPolarHBondContact O-CA 3.35Å; A114-N118 PolarHBondContact O-N 3.15Å; A114-N118 VanDerWaalsContact O-N 3.1Å; V115-N118 PolarHBondContact O-N 3.2Å
119	S	98.1	Very high	98.5	Very high	0 Å²	0	22 Å²	22	0%	0	10%	0.103	C	C	.	.			trans	-115.9	151.4	-176.8	-54.5	0	0	0	0	111.2	P80 P88 A114 T117 N323	P80-S119 VanDerWaalsContact CD-O 3.31Å; P80-S119 WeakPolarHBondContact CD-O 3.43Å; P88-S119 WeakPolarHBondContact CG-OG 3.37Å; P88-S119 CarbonylContact O-C 3.58Å; P88-S119 VanDerWaalsContact O-CA 3.32Å; P88-S119 WeakPolarHBondContact O-CA 3.43Å; P88-S119 WeakPolarHBondContact O-CB 3.01Å; A114-S119 WeakPolarHBondContact CA-O 3.45Å; A114-S119 PolarHBondContact O-N 2.89Å; T117-S119 PolarHBondContact O-N 2.78Å; T117-S119 PolarHBondContact O-OG 2.95Å; T117-S119 VanDerWaalsContact OG1-CB 3.27Å; T117-S119 WeakPolarHBondContact OG1-CB 3.33Å; T117-S119 PolarHBondContact OG1-OG 3Å; S119-N323 PolarHBondContact OG-ND2 2.79Å
120	I	98.2	Very high	98.5	Very high	15 Å²	15	23.6 Å²	23.6	8%	0.077	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	128.7	162.4	-175.2	162.3	0	0	0	108.7	T77 K79 L87 P88 V89 I90 F122 Y156	T77-I120 HydrophobicContact CG2-CD1 3.65Å; T77-I120 HydrophobicContact CG2-CG1 3.79Å; K79-I120 HydrophobicContact CB-CB 4.44Å; K79-I120 HydrophobicContact CB-CG1 4.3Å; L87-I120 HydrophobicContact CB-CB 4.21Å; L87-I120 HydrophobicContact CB-CG2 4.13Å; L87-I120 HydrophobicContact CD1-CB 4.12Å; P88-I120 WeakPolarHBondContact O-CG2 3.34Å; P88-I120 PolarHBondContact O-N 3.23Å; V89-I120 HydrophobicContact CG2-CG2 3.98Å; I90-I120 PolarHBondContact N-O 2.91Å; I120-F122 HydrophobicContact CB-CE2 4.42Å; I120-F122 HydrophobicContact CD1-CE1 4.36Å; I120-F122 HydrophobicContact CD1-CE2 3.98Å; I120-F122 HydrophobicContact CD1-CZ 3.59Å; I120-F122 HydrophobicContact CG1-CD2 4.42Å; I120-F122 HydrophobicContact CG1-CE2 3.75Å; I120-F122 HydrophobicContact CG1-CZ 3.85Å; I120-F122 HydrophobicContact CG2-CE2 3.9Å; I120-Y156 HydrophobicContact CD1-CD1 4Å; I120-Y156 HydrophobicContact CG2-CD1 4.4Å; I120-Y156 HydrophobicContact CG2-CG 4.03Å
121	V	98.8	Very high	98.4	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	127.2	-179.6	-168.1	0	0	0	0	109.5	T77 V78 I90 V110 A114 V123	T77-V121 CarbonylContact C-O 3.59Å; T77-V121 WeakPolarHBondContact CA-O 3.36Å; V78-V121 HydrophobicContact CB-CB 4.47Å; V78-V121 PolarHBondContact N-O 2.85Å; V78-V121 PolarHBondContact O-N 3.17Å; I90-V121 HydrophobicContact CB-CB 4.45Å; I90-V121 HydrophobicContact CB-CG1 4.16Å; I90-V121 HydrophobicContact CB-CG2 4.1Å; I90-V121 HydrophobicContact CD1-CG2 4.25Å; I90-V121 HydrophobicContact CG2-CG1 4.13Å; I90-V121 CarbonylContact O-C 3.59Å; I90-V121 VanDerWaalsContact O-CA 3.25Å; I90-V121 WeakPolarHBondContact O-CA 3.43Å; V110-V121 HydrophobicContact CG1-CB 4.03Å; V110-V121 HydrophobicContact CG1-CG1 3.78Å; A114-V121 HydrophobicContact CB-CG2 3.6Å; V121-V123 HydrophobicContact CG1-CG2 4.3Å
122	F	98.8	Very high	98.4	Very high	6 Å²	6	27.8 Å²	27.8	3%	0.026	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	130.9	171.7	-62.9	-88	0	0	0	109	W65 V75 R76 T77 V89 I90 L91 Y92 I120 L148 Y156	W65-F122 AromaticContact CH2-CD1 3.85Å; W65-F122 HydrophobicContact CH2-CD1 3.85Å; W65-F122 AromaticContact CH2-CE1 3.95Å; W65-F122 HydrophobicContact CH2-CE1 3.95Å; W65-F122 HydrophobicContact CZ2-CD1 4.07Å; W65-F122 HydrophobicContact CZ2-CE1 4.02Å; V75-F122 HydrophobicContact CG1-CB 4.18Å; V75-F122 HydrophobicContact CG1-CD1 4.13Å; R76-F122 CarbonylContact O-C 3.58Å; R76-F122 WeakPolarHBondContact O-CA 3.47Å; T77-F122 HydrophobicContact CG2-CD1 4.3Å; T77-F122 HydrophobicContact CG2-CE1 3.91Å; T77-F122 HydrophobicContact CG2-CZ 4.38Å; T77-F122 WeakPolarHBondContact OG1-CD1 3.28Å; T77-F122 WeakPolarHBondContact OG1-CE1 3.32Å; V89-F122 HydrophobicContact CG1-CD2 3.98Å; V89-F122 HydrophobicContact CG1-CE2 4.11Å; I90-F122 PolarHBondContact O-N 2.75Å; L91-F122 HydrophobicContact CD1-CB 3.94Å; Y92-F122 PolarHBondContact N-O 2.79Å; I120-F122 HydrophobicContact CB-CE2 4.42Å; I120-F122 HydrophobicContact CD1-CE1 4.36Å; I120-F122 HydrophobicContact CD1-CE2 3.98Å; I120-F122 HydrophobicContact CD1-CZ 3.59Å; I120-F122 HydrophobicContact CG1-CD2 4.42Å; I120-F122 HydrophobicContact CG1-CE2 3.75Å; I120-F122 HydrophobicContact CG1-CZ 3.85Å; I120-F122 HydrophobicContact CG2-CE2 3.9Å; F122-L148 HydrophobicContact CD2-CD2 4.32Å; F122-Y156 HydrophobicContact CE1-CE1 4.49Å; F122-Y156 HydrophobicContact CE2-CD1 4.37Å; F122-Y156 HydrophobicContact CE2-CE1 4.18Å; F122-Y156 HydrophobicContact CE2-CE2 4.41Å; F122-Y156 AromaticContact CZ-CD1 3.96Å; F122-Y156 HydrophobicContact CZ-CD1 3.96Å; F122-Y156 AromaticContact CZ-CE1 3.52Å; F122-Y156 HydrophobicContact CZ-CE1 3.52Å; F122-Y156 HydrophobicContact CZ-CE2 4.44Å; F122-Y156 AromaticContact CZ-CZ 3.78Å
123	V	98.9	Very high	98.4	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	102.6	178	-169.2	0	0	0	0	108.1	V75 R76 Y92 A103 V110 V121 E125	V75-V123 WeakPolarHBondContact CA-O 3.44Å; R76-V123 HydrophobicContact CB-CB 4.24Å; R76-V123 PolarHBondContact N-O 3.34Å; R76-V123 PolarHBondContact O-N 2.66Å; Y92-V123 WeakPolarHBondContact O-CA 3.17Å; A103-V123 HydrophobicContact CB-CB 4.03Å; A103-V123 HydrophobicContact CB-CG1 3.69Å; V110-V123 HydrophobicContact CB-CG2 4.38Å; V110-V123 HydrophobicContact CG1-CG2 3.7Å; V110-V123 HydrophobicContact CG2-CG2 3.78Å; V121-V123 HydrophobicContact CG1-CG2 4.3Å; V123-E125 PolarHBondContact O-N 2.82Å
124	P	98.8	Very high	98.4	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	126.2	174.6	28.1	-29.3	0	0	0	109.9	I73 L91 Y92 I93 Y126 T144	I73-P124 HydrophobicContact CD1-CB 3.67Å; L91-P124 HydrophobicContact CD1-CG 4.16Å; Y92-P124 WeakPolarHBondContact O-CD 3.35Å; I93-P124 HydrophobicContact CD1-CG 3.48Å; I93-P124 VanDerWaalsContact CD1-CG 3.48Å; P124-Y126 PolarHBondContact O-N 2.77Å; P124-T144 HydrophobicContact CB-CG2 4.18Å
125	E	98.6	Very high	98.4	Very high	48 Å²	48	34.7 Å²	34.7	22%	0.224	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	73.1	166.6	-66.8	-80.1	-165.7	0	0	108	N74 H94 S102 A103 V123	N74-E125 HydrophobicContact CB-CB 4.17Å; N74-E125 HydrophobicContact CB-CG 4.18Å; N74-E125 WeakPolarHBondContact O-CB 3.43Å; N74-E125 PolarHBondContact O-N 2.77Å; H94-E125 IonicContact NE2-OE2 3.9Å; S102-E125 WeakPolarHBondContact CA-OE2 3.37Å; A103-E125 WeakPolarHBondContact CA-OE1 3.28Å; A103-E125 HydrophobicContact CB-CG 4.27Å; A103-E125 WeakPolarHBondContact CB-OE1 3.13Å; A103-E125 VanDerWaalsContact N-CD 3.26Å; A103-E125 PolarHBondContact N-OE1 2.99Å; A103-E125 PolarHBondContact N-OE2 3.05Å; V123-E125 PolarHBondContact O-N 2.82Å
126	Y	98.7	Very high	98.4	Very high	4 Å²	4	34.9 Å²	34.9	2%	0.016	17%	0.172	C	C	.	.	P	Polyproline II helix	trans	-62	152.6	179.6	57.4	-98.9	0	0	0	111.2	I93 H94 P124 R128 A137 M172	I93-Y126 HydrophobicContact CG2-CD1 4.08Å; I93-Y126 HydrophobicContact CG2-CE1 3.71Å; H94-Y126 AromaticContact CD2-CE1 3.67Å; H94-Y126 AromaticContact CE1-CE1 3.49Å; H94-Y126 VanDerWaalsContact CE1-CE1 3.49Å; H94-Y126 WeakPolarHBondContact CE1-CE1 3.31Å; H94-Y126 AromaticContact CE1-CZ 3.27Å; H94-Y126 PolarHBondContact CE1-OH 3.2Å; H94-Y126 AromaticContact CG-CE1 3.97Å; H94-Y126 AromaticContact ND1-CE1 3.87Å; H94-Y126 AromaticContact ND1-CZ 3.76Å; H94-Y126 PolarHBondContact ND1-OH 3.26Å; H94-Y126 AromaticContact NE2-CD1 3.88Å; H94-Y126 AromaticContact NE2-CE1 3.35Å; H94-Y126 VanDerWaalsContact NE2-CE1 3.35Å; H94-Y126 WeakPolarHBondContact NE2-CE1 3.43Å; H94-Y126 AromaticContact NE2-CZ 3.6Å; H94-Y126 PolarHBondContact O-OH 2.74Å; P124-Y126 PolarHBondContact O-N 2.77Å; Y126-R128 HydrophobicContact CD2-CG 4.49Å; Y126-R128 HydrophobicContact CE2-CG 4.29Å; Y126-R128 PolarHBondContact O-N 3.04Å; Y126-A137 HydrophobicContact CD2-CB 3.49Å; Y126-A137 VanDerWaalsContact CD2-CB 3.49Å; Y126-A137 HydrophobicContact CE2-CB 4.14Å; Y126-A137 HydrophobicContact CG-CB 3.91Å; Y126-M172 HydrophobicContact CD1-CE 4.38Å; Y126-M172 HydrophobicContact CE1-CE 3.67Å; Y126-M172 HydrophobicContact CE2-CE 4.17Å
127	D	98.6	Very high	98.4	Very high	78 Å²	78	31.7 Å²	31.7	42%	0.417	16%	0.161	S	C	.	.	P	Polyproline II helix	trans	-63.8	123.1	176	-70	-30.6	0	0	0	109.8	A132 V136 Q140	D127-A132 HydrophobicContact CB-CB 3.46Å; D127-A132 VanDerWaalsContact CB-CB 3.46Å; D127-V136 HydrophobicContact CB-CG1 4.23Å; D127-Q140 PolarHBondContact OD2-NE2 3.29Å
128	R	98.5	Very high	98.5	Very high	69 Å²	69	31.7 Å²	31.7	26%	0.26	16%	0.161	S	C	.	.	P	Polyproline II helix	trans	-83.3	152	-173.1	-63.9	176.7	-60.9	177.3	-0.1	111.3	W98 L100 G101 Y126 E131 A132	W98-R128 CarbonylContact O-C 3.57Å; W98-R128 WeakPolarHBondContact O-CA 3.3Å; W98-R128 WeakPolarHBondContact O-CB 3.45Å; L100-R128 PolarHBondContact O-NH1 3.31Å; G101-R128 WeakPolarHBondContact O-CD 3.32Å; G101-R128 PolarHBondContact O-NH1 3.46Å; Y126-R128 HydrophobicContact CD2-CG 4.49Å; Y126-R128 HydrophobicContact CE2-CG 4.29Å; Y126-R128 PolarHBondContact O-N 3.04Å; R128-E131 PolarHBondContact O-N 2.85Å; R128-A132 PolarHBondContact O-N 3.46Å
129	S	98.7	Very high	98.6	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.007	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	154.5	169.9	-61.7	0	0	0	0	110.9	R42 W98 V99 E131 A132 Y228	R42-S129 PolarHBondContact NH2-O 3.25Å; R42-S129 VanDerWaalsContact NH2-O 3.17Å; W98-S129 PolarHBondContact O-N 2.84Å; V99-S129 WeakPolarHBondContact CA-O 3.13Å; V99-S129 WeakPolarHBondContact CG1-O 3.26Å; V99-S129 WeakPolarHBondContact CG2-O 3.4Å; S129-E131 VanDerWaalsContact C-OE2 3.3Å; S129-A132 WeakPolarHBondContact CA-O 3.5Å; S129-A132 WeakPolarHBondContact CB-O 3.41Å; S129-A132 PolarHBondContact N-O 2.85Å; S129-A132 PolarHBondContact OG-O 3.16Å; S129-Y228 WeakPolarHBondContact OG-CA 3.33Å
130	P	98.4	Very high	98.6	Very high	36 Å²	36	30 Å²	30	23%	0.234	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	cis	-82.8	-2.9	-1.2	34.9	-37.2	0	0	0	115.1	I38 A132 H227	I38-P130 VanDerWaalsContact CD1-CD 3.42Å; I38-P130 HydrophobicContact CD1-CG 3.46Å; I38-P130 VanDerWaalsContact CD1-CG 3.46Å; P130-A132 VanDerWaalsContact C-N 3.26Å; P130-A132 PolarHBondContact O-N 3.36Å; P130-H227 HydrophobicContact CB-CB 4.11Å; P130-H227 WeakPolarHBondContact CB-ND1 3.5Å
131	E	98.3	Very high	98.7	Very high	126 Å²	126	29.2 Å²	29.2	59%	0.589	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-39.3	-179.3	-63	89.5	156.7	0	0	111.5	R42 R128 S129	R42-E131 IonicContact CZ-OE1 4Å; R42-E131 IonicContact CZ-OE2 2.77Å; R42-E131 IonicContact NH1-OE1 3.38Å; R42-E131 PolarHBondContact NH1-OE1 2.85Å; R42-E131 IonicContact NH1-OE2 3.27Å; R42-E131 IonicContact NH2-OE1 2.67Å; R42-E131 PolarHBondContact NH2-OE1 3.33Å; R42-E131 IonicContact NH2-OE2 3.76Å; R42-E131 PolarHBondContact NH2-OE2 3Å; R128-E131 PolarHBondContact O-N 2.85Å; S129-E131 VanDerWaalsContact C-OE2 3.3Å
132	A	98.4	Very high	98.7	Very high	11 Å²	11	29.7 Å²	29.7	9%	0.091	15%	0.149	C	C	.	.	S	Bend	trans	-119.3	124.4	168.2	0	0	0	0	0	110.7	D127 R128 S129 P130 V136	D127-A132 HydrophobicContact CB-CB 3.46Å; D127-A132 VanDerWaalsContact CB-CB 3.46Å; R128-A132 PolarHBondContact O-N 3.46Å; S129-A132 WeakPolarHBondContact CA-O 3.5Å; S129-A132 WeakPolarHBondContact CB-O 3.41Å; S129-A132 PolarHBondContact N-O 2.85Å; S129-A132 PolarHBondContact OG-O 3.16Å; P130-A132 VanDerWaalsContact C-N 3.26Å; P130-A132 PolarHBondContact O-N 3.36Å; A132-V136 HydrophobicContact CB-CB 3.97Å; A132-V136 HydrophobicContact CB-CG1 3.82Å; A132-V136 HydrophobicContact CB-CG2 4.37Å
133	K	98.7	Very high	98.6	Very high	73 Å²	73	29.9 Å²	29.9	32%	0.317	15%	0.151	S	C	.	.			trans	-100.2	167.8	178.8	-66.8	-164.7	164.1	-138.7	0	111.6	V136 N226 H227 Y228 L229 P230	K133-V136 WeakPolarHBondContact O-CB 3.4Å; K133-V136 WeakPolarHBondContact O-CG2 3.39Å; K133-V136 PolarHBondContact O-N 2.82Å; K133-N226 PolarHBondContact NZ-O 2.88Å; K133-H227 VanDerWaalsContact CE-O 3.26Å; K133-H227 WeakPolarHBondContact CE-O 3.44Å; K133-Y228 CarbonylContact C-O 3.59Å; K133-Y228 WeakPolarHBondContact CA-O 3.47Å; K133-Y228 WeakPolarHBondContact CB-O 3.2Å; K133-L229 PolarHBondContact NZ-O 3.26Å; K133-P230 HydrophobicContact CB-CG 4.09Å
134	Y	98.7	Very high	98.6	Very high	33 Å²	33	29.9 Å²	29.9	13%	0.129	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.1	134.3	171.6	171.1	-90.2	0	0	0	111.3	I138 Y228 L229 P230 Q233 I237 T239 I240	Y134-I138 HydrophobicContact CD2-CD1 4.04Å; Y134-I138 HydrophobicContact CE2-CD1 3.95Å; Y134-Y228 HydrophobicContact CD2-CE1 4.3Å; Y134-Y228 AromaticContact CD2-CZ 3.92Å; Y134-Y228 WeakPolarHBondContact CD2-OH 3.42Å; Y134-Y228 PolarHBondContact N-O 2.78Å; Y134-L229 HydrophobicContact CG-CD2 4.36Å; Y134-P230 WeakPolarHBondContact O-CG 3.11Å; Y134-Q233 HydrophobicContact CD1-CG 4.17Å; Y134-I237 HydrophobicContact CE1-CD1 4.38Å; Y134-T239 WeakPolarHBondContact CE2-O 3.39Å; Y134-T239 PolarHBondContact OH-OG1 3.02Å; Y134-I240 HydrophobicContact CD1-CD1 3.9Å; Y134-I240 HydrophobicContact CD1-CG1 4.32Å; Y134-I240 HydrophobicContact CD2-CD1 4.26Å; Y134-I240 HydrophobicContact CD2-CG1 3.77Å; Y134-I240 HydrophobicContact CE1-CD1 3.78Å; Y134-I240 HydrophobicContact CE1-CG1 4.14Å; Y134-I240 HydrophobicContact CE2-CD1 4.16Å; Y134-I240 HydrophobicContact CE2-CG1 3.57Å; Y134-I240 HydrophobicContact CG-CD1 4.15Å; Y134-I240 HydrophobicContact CG-CG1 4.15Å
135	P	98.3	Very high	98.6	Very high	51 Å²	51	29.9 Å²	29.9	33%	0.331	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	cis	-99.3	18.5	6.5	39.2	-36.7	0	0	0	115.2	A137 I138 E139	P135-A137 PolarHBondContact O-N 3.46Å; P135-I138 PolarHBondContact O-N 2.81Å; P135-E139 HydrophobicContact CB-CG 4.14Å; P135-E139 HydrophobicContact CG-CG 4.17Å; P135-E139 WeakPolarHBondContact O-CG 3.41Å; P135-E139 PolarHBondContact O-N 3.42Å
136	V	98.7	Very high	98.6	Very high	51 Å²	51	31.1 Å²	31.1	31%	0.309	16%	0.159	S	C	.	.	H	α-helix	trans	-54.6	-53.3	-167.1	175.3	0	0	0	0	113.3	D127 A132 K133 I138 E139 Q140	D127-V136 HydrophobicContact CB-CG1 4.23Å; A132-V136 HydrophobicContact CB-CB 3.97Å; A132-V136 HydrophobicContact CB-CG1 3.82Å; A132-V136 HydrophobicContact CB-CG2 4.37Å; K133-V136 WeakPolarHBondContact O-CB 3.4Å; K133-V136 WeakPolarHBondContact O-CG2 3.39Å; K133-V136 PolarHBondContact O-N 2.82Å; V136-I138 VanDerWaalsContact C-N 3.32Å; V136-I138 PolarHBondContact O-N 2.86Å; V136-E139 PolarHBondContact O-N 2.71Å; V136-E139 VanDerWaalsContact O-N 3.16Å; V136-Q140 HydrophobicContact CG1-CG 4.3Å; V136-Q140 WeakPolarHBondContact O-CB 3.33Å; V136-Q140 PolarHBondContact O-N 3.17Å
137	A	98.6	Very high	98.6	Very high	2 Å²	2	33.6 Å²	33.6	2%	0.017	17%	0.17	C	C	.	.	H	α-helix	trans	-60.2	-39.5	-178	0	0	0	0	0	113.2	Y126 P135 S141 M172	Y126-A137 HydrophobicContact CD2-CB 3.49Å; Y126-A137 VanDerWaalsContact CD2-CB 3.49Å; Y126-A137 HydrophobicContact CE2-CB 4.14Å; Y126-A137 HydrophobicContact CG-CB 3.91Å; P135-A137 PolarHBondContact O-N 3.46Å; A137-S141 VanDerWaalsContact O-CB 3.3Å; A137-S141 WeakPolarHBondContact O-CB 3.31Å; A137-S141 PolarHBondContact O-N 3.27Å; A137-S141 PolarHBondContact O-OG 3.33Å; A137-M172 HydrophobicContact CB-SD 3.91Å
138	I	98.7	Very high	98.5	Very high	2 Å²	2	29.9 Å²	29.9	1%	0.01	15%	0.15	C	C	.	.	H	α-helix	trans	-65.4	-46.5	175.8	-72.5	170	0	0	0	110.5	Y134 P135 V136 S141 Y142 M172 V175 L179 Y228 T239	Y134-I138 HydrophobicContact CD2-CD1 4.04Å; Y134-I138 HydrophobicContact CE2-CD1 3.95Å; P135-I138 PolarHBondContact O-N 2.81Å; V136-I138 VanDerWaalsContact C-N 3.32Å; V136-I138 PolarHBondContact O-N 2.86Å; I138-S141 PolarHBondContact O-N 2.84Å; I138-Y142 WeakPolarHBondContact O-CB 3.35Å; I138-Y142 PolarHBondContact O-N 3.35Å; I138-M172 HydrophobicContact CD1-CG 4.45Å; I138-M172 HydrophobicContact CG1-CB 4.34Å; I138-M172 HydrophobicContact CG1-CG 3.72Å; I138-M172 HydrophobicContact CG1-SD 4.19Å; I138-V175 HydrophobicContact CD1-CB 4.36Å; I138-V175 HydrophobicContact CD1-CG1 4.06Å; I138-V175 HydrophobicContact CD1-CG2 4.38Å; I138-V175 HydrophobicContact CG2-CG1 3.82Å; I138-L179 HydrophobicContact CG2-CD1 3.55Å; I138-Y228 WeakPolarHBondContact CD1-OH 3.42Å; I138-T239 WeakPolarHBondContact CD1-O 3.32Å
139	E	98.8	Very high	98.5	Very high	21 Å²	21	28.6 Å²	28.6	10%	0.098	15%	0.15	C	C	.	.	H	α-helix	trans	-68	-38.2	-178.7	-69.5	-65.5	158.2	0	0	112.4	Y70 P135 V136 Y142 A143 R183	Y70-E139 HydrophobicContact CD1-CB 3.73Å; Y70-E139 HydrophobicContact CE1-CB 3.38Å; Y70-E139 HydrophobicContact CE1-CG 3.81Å; Y70-E139 HydrophobicContact CE2-CB 4.39Å; Y70-E139 HydrophobicContact CG-CB 4.36Å; Y70-E139 VanDerWaalsContact CZ-OE2 3.28Å; Y70-E139 PolarHBondContact OH-OE2 3.05Å; P135-E139 HydrophobicContact CB-CG 4.14Å; P135-E139 HydrophobicContact CG-CG 4.17Å; P135-E139 WeakPolarHBondContact O-CG 3.41Å; P135-E139 PolarHBondContact O-N 3.42Å; V136-E139 PolarHBondContact O-N 2.71Å; V136-E139 VanDerWaalsContact O-N 3.16Å; E139-Y142 PolarHBondContact O-N 3.32Å; E139-A143 VanDerWaalsContact O-CB 3.25Å; E139-A143 WeakPolarHBondContact O-CB 3.47Å; E139-A143 PolarHBondContact O-N 2.95Å; E139-R183 IonicContact OE1-CZ 2.64Å; E139-R183 IonicContact OE1-NH1 3.54Å; E139-R183 PolarHBondContact OE1-NH1 3.37Å; E139-R183 IonicContact OE1-NH2 3.14Å; E139-R183 PolarHBondContact OE1-NH2 3.26Å; E139-R183 IonicContact OE2-CZ 3.23Å; E139-R183 IonicContact OE2-NH1 3.29Å; E139-R183 PolarHBondContact OE2-NH1 2.97Å; E139-R183 IonicContact OE2-NH2 2.63Å
140	Q	98.9	Very high	98.4	Very high	2 Å²	2	32.3 Å²	32.3	1%	0.009	18%	0.18	C	C	.	.	H	α-helix	trans	-63.4	-46.1	172.3	-78.5	177.1	-25	0	0	111	L67 Y70 I73 D127 V136 Y142 A143 T144	L67-Q140 HydrophobicContact CD1-CB 4.23Å; L67-Q140 HydrophobicContact CD1-CG 4.4Å; Y70-Q140 PolarHBondContact O-NE2 3.46Å; I73-Q140 HydrophobicContact CG2-CG 4.35Å; D127-Q140 PolarHBondContact OD2-NE2 3.29Å; V136-Q140 HydrophobicContact CG1-CG 4.3Å; V136-Q140 WeakPolarHBondContact O-CB 3.33Å; V136-Q140 PolarHBondContact O-N 3.17Å; Q140-Y142 VanDerWaalsContact C-N 3.33Å; Q140-Y142 PolarHBondContact O-N 3.38Å; Q140-A143 PolarHBondContact O-N 3.08Å; Q140-T144 PolarHBondContact O-N 2.71Å; Q140-T144 PolarHBondContact O-OG1 2.89Å; Q140-T144 VanDerWaalsContact O-OG1 3.05Å
141	S	98.9	Very high	98.2	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-61.9	-40.3	176.8	-59.9	0	0	0	0	112.2	A137 I138 T144 L145	A137-S141 VanDerWaalsContact O-CB 3.3Å; A137-S141 WeakPolarHBondContact O-CB 3.31Å; A137-S141 PolarHBondContact O-N 3.27Å; A137-S141 PolarHBondContact O-OG 3.33Å; I138-S141 PolarHBondContact O-N 2.84Å; S141-T144 WeakPolarHBondContact O-CB 3.25Å; S141-T144 PolarHBondContact O-N 3.26Å; S141-L145 PolarHBondContact O-N 2.83Å; S141-L145 VanDerWaalsContact O-N 3.12Å
142	Y	98.8	Very high	98	Very high	9 Å²	9	28.1 Å²	28.1	4%	0.035	16%	0.161	C	C	.	.	H	α-helix	trans	-67.6	-40.7	174.6	-171.1	-111.9	0	0	0	112	I138 E139 Q140 T144 L145 L146 L176 L179 A180	I138-Y142 WeakPolarHBondContact O-CB 3.35Å; I138-Y142 PolarHBondContact O-N 3.35Å; E139-Y142 PolarHBondContact O-N 3.32Å; Q140-Y142 VanDerWaalsContact C-N 3.33Å; Q140-Y142 PolarHBondContact O-N 3.38Å; Y142-T144 VanDerWaalsContact C-N 3.3Å; Y142-T144 PolarHBondContact O-N 3.06Å; Y142-L145 HydrophobicContact CD2-CD2 4.4Å; Y142-L145 HydrophobicContact CE2-CD2 4.4Å; Y142-L145 WeakPolarHBondContact O-CB 3.48Å; Y142-L145 PolarHBondContact O-N 2.94Å; Y142-L145 VanDerWaalsContact O-N 3.14Å; Y142-L146 HydrophobicContact CD1-CD1 4.08Å; Y142-L146 HydrophobicContact CD1-CG 4.34Å; Y142-L146 HydrophobicContact CE1-CD1 3.79Å; Y142-L146 HydrophobicContact CE1-CD2 4.19Å; Y142-L146 HydrophobicContact CE1-CG 4.08Å; Y142-L146 WeakPolarHBondContact O-CG 3.46Å; Y142-L146 PolarHBondContact O-N 3.38Å; Y142-L176 HydrophobicContact CD2-CD2 3.99Å; Y142-L176 HydrophobicContact CG-CD2 4.23Å; Y142-L179 HydrophobicContact CD2-CB 4.09Å; Y142-L179 HydrophobicContact CE2-CB 4.05Å; Y142-L179 HydrophobicContact CG-CD1 4.48Å; Y142-A180 HydrophobicContact CE2-CB 4.14Å
143	A	98.8	Very high	97.6	Very high	10 Å²	10	34.5 Å²	34.5	8%	0.083	19%	0.194	C	C	.	.	H	α-helix	trans	-64.4	-35.1	175.4	0	0	0	0	0	112	L67 Y70 E139 Q140 L146 K147	L67-A143 HydrophobicContact CB-CB 4.05Å; L67-A143 HydrophobicContact CD1-CB 4.17Å; L67-A143 HydrophobicContact CD2-CB 4.36Å; L67-A143 HydrophobicContact CG-CB 4.43Å; Y70-A143 HydrophobicContact CD2-CB 3.72Å; Y70-A143 HydrophobicContact CE2-CB 4.26Å; E139-A143 VanDerWaalsContact O-CB 3.25Å; E139-A143 WeakPolarHBondContact O-CB 3.47Å; E139-A143 PolarHBondContact O-N 2.95Å; Q140-A143 PolarHBondContact O-N 3.08Å; A143-L146 PolarHBondContact O-N 3.07Å; A143-K147 WeakPolarHBondContact O-CB 3.36Å; A143-K147 PolarHBondContact O-N 2.92Å
144	T	98.8	Very high	97	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-60.9	-43.6	170.1	-61	0	0	0	0	111.3	W65 V75 L91 P124 Q140 S141 Y142 L146 K147 L148	W65-T144 HydrophobicContact CE3-CG2 4.09Å; W65-T144 HydrophobicContact CZ3-CG2 3.78Å; V75-T144 HydrophobicContact CG1-CG2 4.42Å; V75-T144 HydrophobicContact CG2-CG2 4.19Å; L91-T144 HydrophobicContact CD1-CG2 3.86Å; P124-T144 HydrophobicContact CB-CG2 4.18Å; Q140-T144 PolarHBondContact O-N 2.71Å; Q140-T144 PolarHBondContact O-OG1 2.89Å; Q140-T144 VanDerWaalsContact O-OG1 3.05Å; S141-T144 WeakPolarHBondContact O-CB 3.25Å; S141-T144 PolarHBondContact O-N 3.26Å; Y142-T144 VanDerWaalsContact C-N 3.3Å; Y142-T144 PolarHBondContact O-N 3.06Å; T144-L146 PolarHBondContact O-N 2.96Å; T144-K147 PolarHBondContact O-N 2.98Å; T144-L148 WeakPolarHBondContact O-CB 3.44Å; T144-L148 WeakPolarHBondContact O-CG 3.34Å; T144-L148 PolarHBondContact O-N 2.94Å
145	L	98.7	Very high	96.7	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-59.7	-42.9	173.2	178.9	60.5	0	0	0	112.4	L91 S141 Y142 L148 V149 I161 I163 P186 I188	L91-L145 HydrophobicContact CD2-CB 3.83Å; L91-L145 HydrophobicContact CD2-CD1 4.49Å; S141-L145 PolarHBondContact O-N 2.83Å; S141-L145 VanDerWaalsContact O-N 3.12Å; Y142-L145 HydrophobicContact CD2-CD2 4.4Å; Y142-L145 HydrophobicContact CE2-CD2 4.4Å; Y142-L145 WeakPolarHBondContact O-CB 3.48Å; Y142-L145 PolarHBondContact O-N 2.94Å; Y142-L145 VanDerWaalsContact O-N 3.14Å; L145-L148 HydrophobicContact CD1-CD1 4.45Å; L145-L148 HydrophobicContact CD1-CD2 4.19Å; L145-L148 HydrophobicContact CD1-CG 4.41Å; L145-L148 WeakPolarHBondContact O-CG 3.49Å; L145-V149 HydrophobicContact CD1-CG2 4.31Å; L145-V149 VanDerWaalsContact O-CG2 3.32Å; L145-V149 WeakPolarHBondContact O-CG2 3.22Å; L145-V149 PolarHBondContact O-N 2.96Å; L145-I161 HydrophobicContact CD1-CD1 4.34Å; L145-I161 HydrophobicContact CD1-CG2 4.05Å; L145-I163 HydrophobicContact CD1-CD1 4.07Å; L145-I163 HydrophobicContact CD2-CD1 4.11Å; L145-P186 HydrophobicContact CG-CG 4.34Å; L145-I188 HydrophobicContact CD2-CD1 3.99Å; L145-I188 HydrophobicContact CD2-CG1 4.27Å
146	L	98.4	Very high	96.6	Very high	74 Å²	74	37 Å²	37	39%	0.387	22%	0.215	S	C	.	.	H	α-helix	trans	-65.1	-46.4	178	-64.1	-179.6	0	0	0	111.4	Y142 A143 T144 V149 A150 P186	Y142-L146 HydrophobicContact CD1-CD1 4.08Å; Y142-L146 HydrophobicContact CD1-CG 4.34Å; Y142-L146 HydrophobicContact CE1-CD1 3.79Å; Y142-L146 HydrophobicContact CE1-CD2 4.19Å; Y142-L146 HydrophobicContact CE1-CG 4.08Å; Y142-L146 WeakPolarHBondContact O-CG 3.46Å; Y142-L146 PolarHBondContact O-N 3.38Å; A143-L146 PolarHBondContact O-N 3.07Å; T144-L146 PolarHBondContact O-N 2.96Å; L146-V149 PolarHBondContact O-N 3.19Å; L146-A150 WeakPolarHBondContact O-CB 3.47Å; L146-A150 PolarHBondContact O-N 3.03Å; L146-P186 VanDerWaalsContact CD2-CD 3.46Å; L146-P186 HydrophobicContact CD2-CG 4.01Å
147	K	98.2	Very high	96.4	Very high	57 Å²	57	35.6 Å²	35.6	25%	0.248	21%	0.206	C	C	.	.	H	α-helix	trans	-64.7	-46.1	-179.1	-179	170.6	170.4	58.2	0	111.8	W65 L67 A143 T144 V149 A150 D151	W65-K147 HydrophobicContact CB-CD 4.27Å; W65-K147 HydrophobicContact CD2-CD 4.14Å; W65-K147 HydrophobicContact CE3-CB 4.34Å; W65-K147 HydrophobicContact CE3-CD 3.67Å; W65-K147 HydrophobicContact CE3-CG 3.99Å; W65-K147 HydrophobicContact CG-CD 4.42Å; W65-K147 HydrophobicContact CZ3-CB 4.35Å; W65-K147 HydrophobicContact CZ3-CD 4.36Å; W65-K147 HydrophobicContact CZ3-CG 4.19Å; L67-K147 HydrophobicContact CD2-CB 4.3Å; L67-K147 HydrophobicContact CD2-CD 3.8Å; A143-K147 WeakPolarHBondContact O-CB 3.36Å; A143-K147 PolarHBondContact O-N 2.92Å; T144-K147 PolarHBondContact O-N 2.98Å; K147-V149 PolarHBondContact O-N 3.07Å; K147-A150 PolarHBondContact O-N 2.88Å; K147-D151 WeakPolarHBondContact CG-OD2 3.34Å; K147-D151 IonicContact NZ-OD2 3.91Å; K147-D151 PolarHBondContact NZ-OD2 2.95Å; K147-D151 WeakPolarHBondContact O-CB 3.17Å; K147-D151 PolarHBondContact O-N 3.01Å
148	L	96.9	Very high	96.3	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-61.2	-36.2	179.1	78.2	84	0	0	0	111.3	W65 V89 L91 F122 T144 L145 A152 Y156	W65-L148 HydrophobicContact CH2-CB 3.87Å; W65-L148 HydrophobicContact CZ3-CB 3.95Å; V89-L148 HydrophobicContact CG1-CD1 3.9Å; V89-L148 HydrophobicContact CG1-CD2 4.49Å; L91-L148 HydrophobicContact CB-CD2 4.46Å; L91-L148 HydrophobicContact CD1-CD2 4.14Å; F122-L148 HydrophobicContact CD2-CD2 4.32Å; T144-L148 WeakPolarHBondContact O-CB 3.44Å; T144-L148 WeakPolarHBondContact O-CG 3.34Å; T144-L148 PolarHBondContact O-N 2.94Å; L145-L148 HydrophobicContact CD1-CD1 4.45Å; L145-L148 HydrophobicContact CD1-CD2 4.19Å; L145-L148 HydrophobicContact CD1-CG 4.41Å; L145-L148 WeakPolarHBondContact O-CG 3.49Å; L148-A152 WeakPolarHBondContact O-CB 3.4Å; L148-A152 PolarHBondContact O-N 3.12Å; L148-Y156 HydrophobicContact CD1-CE2 4.1Å; L148-Y156 VanDerWaalsContact O-CE2 3.32Å; L148-Y156 WeakPolarHBondContact O-CE2 3.37Å; L148-Y156 PolarHBondContact O-OH 3.34Å
149	V	97.6	Very high	96.1	Very high	42 Å²	42	42.7 Å²	42.7	26%	0.255	25%	0.245	S	C	.	.	H	α-helix	trans	-72.9	-40.6	178.4	172.5	0	0	0	0	111	L145 L146 K147 T158 I161 P186	L145-V149 HydrophobicContact CD1-CG2 4.31Å; L145-V149 VanDerWaalsContact O-CG2 3.32Å; L145-V149 WeakPolarHBondContact O-CG2 3.22Å; L145-V149 PolarHBondContact O-N 2.96Å; L146-V149 PolarHBondContact O-N 3.19Å; K147-V149 PolarHBondContact O-N 3.07Å; V149-T158 HydrophobicContact CB-CG2 4.41Å; V149-T158 HydrophobicContact CG1-CG2 4.36Å; V149-T158 HydrophobicContact CG2-CG2 4.15Å; V149-I161 HydrophobicContact CG2-CD1 3.61Å; V149-P186 HydrophobicContact CB-CB 4.49Å; V149-P186 HydrophobicContact CB-CG 4.07Å; V149-P186 HydrophobicContact CG1-CB 4.38Å; V149-P186 HydrophobicContact CG1-CG 4.17Å; V149-P186 HydrophobicContact CG2-CB 3.88Å; V149-P186 HydrophobicContact CG2-CG 3.84Å
150	A	96.6	Very high	96	Very high	78 Å²	78	44.9 Å²	44.9	65%	0.645	25%	0.252	S	S	*	.	H	α-helix	trans	-65.1	-39.3	177.4	0	0	0	0	0	112.8	L146 K147	L146-A150 WeakPolarHBondContact O-CB 3.47Å; L146-A150 PolarHBondContact O-N 3.03Å; K147-A150 PolarHBondContact O-N 2.88Å
151	D	94.8	Very high	96	Very high	70 Å²	70	44.8 Å²	44.8	37%	0.374	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	2.7	-174.1	-66	-10.6	0	0	0	113.6	K147 D153 K155	K147-D151 WeakPolarHBondContact CG-OD2 3.34Å; K147-D151 IonicContact NZ-OD2 3.91Å; K147-D151 PolarHBondContact NZ-OD2 2.95Å; K147-D151 WeakPolarHBondContact O-CB 3.17Å; K147-D151 PolarHBondContact O-N 3.01Å; D151-D153 VanDerWaalsContact C-N 3.28Å; D151-D153 PolarHBondContact O-N 3.43Å; D151-K155 PolarHBondContact O-NZ 2.94Å
152	A	93.8	Very high	96	Very high	5 Å²	5	44.8 Å²	44.8	4%	0.041	25%	0.252	C	S	.	.			trans	-55.7	-43.5	-176.1	0	0	0	0	0	111.8	L148 G154 K155 Y156 T158	L148-A152 WeakPolarHBondContact O-CB 3.4Å; L148-A152 PolarHBondContact O-N 3.12Å; A152-G154 PolarHBondContact O-N 2.83Å; A152-K155 WeakPolarHBondContact O-CB 3.49Å; A152-K155 WeakPolarHBondContact O-CD 3.27Å; A152-K155 WeakPolarHBondContact O-CG 3.49Å; A152-K155 PolarHBondContact O-N 2.78Å; A152-Y156 HydrophobicContact CB-CD2 3.96Å; A152-Y156 HydrophobicContact CB-CE2 3.41Å; A152-Y156 VanDerWaalsContact CB-CE2 3.41Å; A152-T158 HydrophobicContact CB-CG2 3.49Å; A152-T158 VanDerWaalsContact CB-CG2 3.49Å
153	D	89.4	Confident	96	Very high	145 Å²	145	44.3 Å²	44.3	78%	0.775	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	41.5	42.5	176.2	-164.6	31.5	0	0	0	113.6	D151 K155	D151-D153 VanDerWaalsContact C-N 3.28Å; D151-D153 PolarHBondContact O-N 3.43Å; D153-K155 VanDerWaalsContact C-N 3.28Å; D153-K155 PolarHBondContact O-N 2.85Å
154	G	87.7	Confident	96	Very high	55 Å²	55	43.9 Å²	43.9	57%	0.567	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.5	-4.5	-178.6	0	0	0	0	0	116.9	A152 Y156	A152-G154 PolarHBondContact O-N 2.83Å; G154-Y156 VanDerWaalsContact C-N 3.33Å; G154-Y156 PolarHBondContact O-N 3.38Å
155	K	91.8	Very high	96	Very high	140 Å²	140	43.9 Å²	43.9	61%	0.609	25%	0.246	S	C	*	.	S	Bend	trans	-65.1	-31.8	-177.7	-60.2	164.7	-169.3	158.1	0	113.8	D151 A152 D153	D151-K155 PolarHBondContact O-NZ 2.94Å; A152-K155 WeakPolarHBondContact O-CB 3.49Å; A152-K155 WeakPolarHBondContact O-CD 3.27Å; A152-K155 WeakPolarHBondContact O-CG 3.49Å; A152-K155 PolarHBondContact O-N 2.78Å; D153-K155 VanDerWaalsContact C-N 3.28Å; D153-K155 PolarHBondContact O-N 2.85Å
156	Y	95.2	Very high	96	Very high	15 Å²	15	43.9 Å²	43.9	6%	0.059	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	161.6	180	45.9	-102.4	0	0	0	110.7	K86 L87 V89 I120 F122 L148 A152 G154 T158	K86-Y156 WeakPolarHBondContact CE-O 3.36Å; L87-Y156 WeakPolarHBondContact O-CB 3.49Å; V89-Y156 HydrophobicContact CG2-CD2 3.36Å; V89-Y156 HydrophobicContact CG2-CE2 4.11Å; V89-Y156 HydrophobicContact CG2-CG 3.96Å; I120-Y156 HydrophobicContact CD1-CD1 4Å; I120-Y156 HydrophobicContact CG2-CD1 4.4Å; I120-Y156 HydrophobicContact CG2-CG 4.03Å; F122-Y156 HydrophobicContact CE1-CE1 4.49Å; F122-Y156 HydrophobicContact CE2-CD1 4.37Å; F122-Y156 HydrophobicContact CE2-CE1 4.18Å; F122-Y156 HydrophobicContact CE2-CE2 4.41Å; F122-Y156 AromaticContact CZ-CD1 3.96Å; F122-Y156 HydrophobicContact CZ-CD1 3.96Å; F122-Y156 AromaticContact CZ-CE1 3.52Å; F122-Y156 HydrophobicContact CZ-CE1 3.52Å; F122-Y156 HydrophobicContact CZ-CE2 4.44Å; F122-Y156 AromaticContact CZ-CZ 3.78Å; L148-Y156 HydrophobicContact CD1-CE2 4.1Å; L148-Y156 VanDerWaalsContact O-CE2 3.32Å; L148-Y156 WeakPolarHBondContact O-CE2 3.37Å; L148-Y156 PolarHBondContact O-OH 3.34Å; A152-Y156 HydrophobicContact CB-CD2 3.96Å; A152-Y156 HydrophobicContact CB-CE2 3.41Å; A152-Y156 VanDerWaalsContact CB-CE2 3.41Å; G154-Y156 VanDerWaalsContact C-N 3.33Å; G154-Y156 PolarHBondContact O-N 3.38Å; Y156-T158 HydrophobicContact CD2-CG2 4.04Å; Y156-T158 HydrophobicContact CE2-CG2 3.98Å; Y156-T158 PolarHBondContact O-N 2.92Å
157	D	96	Very high	96	Very high	21 Å²	21	40.5 Å²	40.5	11%	0.112	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	93.5	-165.3	-162.2	13.9	0	0	0	113.6	K86 L87 D159 R160	K86-D157 HydrophobicContact CD-CB 3.98Å; K86-D157 HydrophobicContact CG-CB 3.94Å; K86-D157 IonicContact NZ-OD1 2.83Å; K86-D157 PolarHBondContact NZ-OD1 2.68Å; L87-D157 PolarHBondContact O-N 3.26Å; D157-D159 PolarHBondContact O-N 3.3Å; D157-D159 PolarHBondContact OD1-N 3.31Å; D157-R160 PolarHBondContact O-N 2.93Å; D157-R160 IonicContact OD2-CZ 2.9Å; D157-R160 IonicContact OD2-NE 3.53Å; D157-R160 PolarHBondContact OD2-NE 2.92Å; D157-R160 IonicContact OD2-NH2 2.77Å; D157-R160 PolarHBondContact OD2-NH2 3.23Å
158	T	95.8	Very high	96.1	Very high	33 Å²	33	37.8 Å²	37.8	20%	0.202	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	-4.8	178.8	55.1	0	0	0	0	114.3	V149 A152 Y156 R160 I161	V149-T158 HydrophobicContact CB-CG2 4.41Å; V149-T158 HydrophobicContact CG1-CG2 4.36Å; V149-T158 HydrophobicContact CG2-CG2 4.15Å; A152-T158 HydrophobicContact CB-CG2 3.49Å; A152-T158 VanDerWaalsContact CB-CG2 3.49Å; Y156-T158 HydrophobicContact CD2-CG2 4.04Å; Y156-T158 HydrophobicContact CE2-CG2 3.98Å; Y156-T158 PolarHBondContact O-N 2.92Å; T158-R160 VanDerWaalsContact C-N 3.27Å; T158-I161 WeakPolarHBondContact O-CD1 3.19Å; T158-I161 WeakPolarHBondContact O-CG1 3.25Å
159	D	95.2	Very high	96.2	Very high	120 Å²	120	37.8 Å²	37.8	64%	0.642	22%	0.217	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-83.2	-9.1	171.3	-68	-31.3	0	0	0	112.4	D157 N189	D157-D159 PolarHBondContact O-N 3.3Å; D157-D159 PolarHBondContact OD1-N 3.31Å; D159-N189 VanDerWaalsContact O-CG 3.31Å; D159-N189 PolarHBondContact O-ND2 2.89Å; D159-N189 PolarHBondContact O-OD1 3.27Å
160	R	96.2	Very high	96.2	Very high	66 Å²	66	35.8 Å²	35.8	25%	0.249	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	73.1	178.7	-69	-178.3	-72.7	158.1	6.1	109.6	K86 P88 V89 D157 T158 N189 N323	K86-R160 PolarHBondContact O-NH2 3.38Å; P88-R160 HydrophobicContact CB-CB 3.84Å; V89-R160 PolarHBondContact N-O 3.07Å; D157-R160 PolarHBondContact O-N 2.93Å; D157-R160 IonicContact OD2-CZ 2.9Å; D157-R160 IonicContact OD2-NE 3.53Å; D157-R160 PolarHBondContact OD2-NE 2.92Å; D157-R160 IonicContact OD2-NH2 2.77Å; D157-R160 PolarHBondContact OD2-NH2 3.23Å; T158-R160 VanDerWaalsContact C-N 3.27Å; R160-N189 WeakPolarHBondContact CA-OD1 3.47Å; R160-N323 VanDerWaalsContact CD-O 3.3Å; R160-N323 WeakPolarHBondContact CD-O 3.29Å; R160-N323 PolarHBondContact NH1-O 2.85Å
161	I	98.4	Very high	96.3	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	124.1	178.5	-63.2	170.7	0	0	0	110.1	V89 L145 V149 T158 I163 P186 I188 N189 Q190	V89-I161 HydrophobicContact CB-CG1 4.23Å; V89-I161 WeakPolarHBondContact O-CA 3.18Å; L145-I161 HydrophobicContact CD1-CD1 4.34Å; L145-I161 HydrophobicContact CD1-CG2 4.05Å; V149-I161 HydrophobicContact CG2-CD1 3.61Å; T158-I161 WeakPolarHBondContact O-CD1 3.19Å; T158-I161 WeakPolarHBondContact O-CG1 3.25Å; I161-I163 HydrophobicContact CG2-CD1 3.93Å; I161-P186 HydrophobicContact CD1-CB 4.32Å; I161-I188 HydrophobicContact CG2-CG1 4.24Å; I161-N189 PolarHBondContact N-OD1 2.84Å; I161-N189 PolarHBondContact O-N 3.43Å; I161-N189 PolarHBondContact O-OD1 2.98Å; I161-Q190 PolarHBondContact O-N 2.89Å
162	T	98.8	Very high	96.5	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	134.9	164.7	-61.1	0	0	0	0	109.3	V89 I90 L91 A164 Q190 L192 L319	V89-T162 PolarHBondContact O-N 2.73Å; I90-T162 CarbonylContact C-O 3.55Å; I90-T162 WeakPolarHBondContact CA-O 3.22Å; L91-T162 PolarHBondContact N-O 2.8Å; T162-A164 HydrophobicContact CG2-CB 4.38Å; T162-Q190 WeakPolarHBondContact CA-O 3.42Å; T162-Q190 HydrophobicContact CG2-CB 4.07Å; T162-L192 HydrophobicContact CG2-CB 4.33Å; T162-L319 HydrophobicContact CG2-CD2 3.76Å
163	I	98.9	Very high	96.8	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	128.3	161.7	-50.8	-56	0	0	0	107.8	L91 L145 I161 A173 L176 I188 Q190 Q191 L192	L91-I163 HydrophobicContact CB-CD1 3.75Å; L91-I163 HydrophobicContact CD2-CD1 4.04Å; L91-I163 HydrophobicContact CG-CD1 4.45Å; L91-I163 WeakPolarHBondContact O-CA 3.35Å; L145-I163 HydrophobicContact CD1-CD1 4.07Å; L145-I163 HydrophobicContact CD2-CD1 4.11Å; I161-I163 HydrophobicContact CG2-CD1 3.93Å; I163-A173 HydrophobicContact CG2-CB 3.66Å; I163-L176 HydrophobicContact CG2-CB 4.29Å; I163-L176 HydrophobicContact CG2-CD1 3.91Å; I163-I188 HydrophobicContact CD1-CD1 4.12Å; I163-I188 HydrophobicContact CD1-CG1 4.17Å; I163-I188 HydrophobicContact CG1-CB 4.45Å; I163-I188 HydrophobicContact CG1-CD1 3.53Å; I163-I188 HydrophobicContact CG1-CG1 3.82Å; I163-I188 HydrophobicContact CG1-CG2 3.76Å; I163-Q190 PolarHBondContact N-O 2.94Å; I163-Q191 CarbonylContact O-C 3.6Å; I163-Q191 WeakPolarHBondContact O-CA 3.44Å; I163-L192 PolarHBondContact O-N 2.69Å
164	A	98.9	Very high	97.2	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	157.7	-178.4	0	0	0	0	0	110.9	I90 L91 Y92 I93 T162 L192	I90-A164 HydrophobicContact CG2-CB 3.84Å; L91-A164 PolarHBondContact O-N 2.92Å; Y92-A164 CarbonylContact C-O 3.57Å; Y92-A164 WeakPolarHBondContact CA-O 3.41Å; Y92-A164 HydrophobicContact CD2-CB 3.6Å; Y92-A164 HydrophobicContact CE2-CB 4.1Å; Y92-A164 HydrophobicContact CG-CB 4.47Å; I93-A164 PolarHBondContact N-O 3.04Å; T162-A164 HydrophobicContact CG2-CB 4.38Å; A164-L192 CarbonylContact C-O 3.59Å; A164-L192 WeakPolarHBondContact CA-O 3.16Å; A164-L192 HydrophobicContact CB-CB 4.01Å; A164-L192 HydrophobicContact CB-CG 4.49Å
165	G	98.9	Very high	97.8	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178.2	163.7	171.8	0	0	0	0	0	112.2	I93 G170 L192 Y194	I93-G165 WeakPolarHBondContact O-CA 3.44Å; G165-G170 VanDerWaalsContact C-N 3.35Å; G165-L192 PolarHBondContact N-O 2.97Å; G165-Y194 PolarHBondContact O-N 3.18Å
166	D	98.9	Very high	98.1	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	145.2	179.3	66.9	-67.1	0	0	0	111.1	Y92 G95 H106 V168 G169 G170 Y194 Y195	Y92-D166 PolarHBondContact OH-OD1 3.12Å; Y92-D166 VanDerWaalsContact OH-OD1 3.07Å; G95-D166 VanDerWaalsContact CA-O 3.26Å; G95-D166 WeakPolarHBondContact CA-O 3.33Å; G95-D166 WeakPolarHBondContact CA-OD2 3.09Å; G95-D166 PolarHBondContact N-OD1 2.8Å; G95-D166 PolarHBondContact N-OD2 2.87Å; H106-D166 IonicContact CD2-OD1 3.77Å; H106-D166 PolarHBondContact CD2-OD1 3.39Å; H106-D166 VanDerWaalsContact CD2-OD1 3.23Å; H106-D166 IonicContact CD2-OD2 3.56Å; H106-D166 IonicContact NE2-OD1 2.75Å; H106-D166 PolarHBondContact NE2-OD1 3.33Å; H106-D166 VanDerWaalsContact NE2-OD1 3.1Å; H106-D166 IonicContact NE2-OD2 3.6Å; H106-D166 PolarHBondContact NE2-OD2 3.43Å; D166-V168 PolarHBondContact O-N 3.13Å; D166-V168 VanDerWaalsContact O-N 3.11Å; D166-G169 CarbonylContact O-C 3.54Å; D166-G169 WeakPolarHBondContact O-CA 3.43Å; D166-G169 PolarHBondContact O-N 3Å; D166-G170 PolarHBondContact O-N 3.23Å; D166-G170 VanDerWaalsContact O-N 3.08Å; D166-Y194 CarbonylContact C-O 3.59Å; D166-Y194 VanDerWaalsContact CA-O 3.26Å; D166-Y194 WeakPolarHBondContact CA-O 3.4Å; D166-Y195 HydrophobicContact CB-CE2 3.75Å
167	S	98.8	Very high	98.3	Very high	3 Å²	3	11.7 Å²	11.7	2%	0.021	6%	0.059	C	C	.	.	H	α-helix	trans	54.5	-119.4	176.2	-170.1	0	0	0	0	111.8	G169 G170 N171 Y194 Y195 P196 V197 H294	S167-G169 VanDerWaalsContact C-N 3.31Å; S167-G170 CarbonylContact O-C 3.57Å; S167-G170 VanDerWaalsContact O-CA 3.31Å; S167-G170 WeakPolarHBondContact O-CA 3.37Å; S167-G170 PolarHBondContact O-N 3.43Å; S167-G170 VanDerWaalsContact O-N 3.07Å; S167-N171 PolarHBondContact O-N 3.17Å; S167-Y194 PolarHBondContact N-O 2.91Å; S167-Y195 VanDerWaalsContact CA-O 3.32Å; S167-Y195 WeakPolarHBondContact CA-O 3.44Å; S167-P196 WeakPolarHBondContact O-CA 3.48Å; S167-V197 PolarHBondContact O-N 2.92Å; S167-H294 VanDerWaalsContact CB-NE2 3.34Å; S167-H294 WeakPolarHBondContact CB-NE2 3.25Å; S167-H294 PolarHBondContact OG-CE1 2.77Å; S167-H294 VanDerWaalsContact OG-CE1 3.27Å; S167-H294 PolarHBondContact OG-NE2 3.31Å
168	V	98.8	Very high	98.4	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-67.2	-26.5	172.3	-58.6	0	0	0	0	114.3	G97 W98 D166 G170 N171 M172 V197	G97-V168 VanDerWaalsContact N-CG2 3.26Å; W98-V168 HydrophobicContact CD2-CB 3.7Å; W98-V168 HydrophobicContact CD2-CG1 3.62Å; W98-V168 HydrophobicContact CD2-CG2 4.32Å; W98-V168 VanDerWaalsContact CE2-CB 3.46Å; W98-V168 HydrophobicContact CE3-CB 4.1Å; W98-V168 HydrophobicContact CE3-CG1 3.47Å; W98-V168 VanDerWaalsContact CE3-CG1 3.47Å; W98-V168 HydrophobicContact CG-CB 4.2Å; W98-V168 HydrophobicContact CG-CG1 4.49Å; W98-V168 HydrophobicContact CG-CG2 4.38Å; W98-V168 HydrophobicContact CH2-CB 4.06Å; W98-V168 HydrophobicContact CH2-CG1 3.4Å; W98-V168 VanDerWaalsContact CH2-CG1 3.4Å; W98-V168 HydrophobicContact CZ2-CB 3.66Å; W98-V168 HydrophobicContact CZ2-CG1 3.57Å; W98-V168 HydrophobicContact CZ3-CB 4.26Å; W98-V168 HydrophobicContact CZ3-CG1 3.34Å; D166-V168 PolarHBondContact O-N 3.13Å; D166-V168 VanDerWaalsContact O-N 3.11Å; V168-G170 VanDerWaalsContact C-N 3.28Å; V168-N171 VanDerWaalsContact O-CB 3.25Å; V168-N171 WeakPolarHBondContact O-CB 3.5Å; V168-N171 PolarHBondContact O-N 3.46Å; V168-M172 WeakPolarHBondContact O-CE 3.33Å; V168-M172 WeakPolarHBondContact O-CG 3.49Å; V168-M172 PolarHBondContact O-N 3.1Å; V168-V197 HydrophobicContact CG1-CG2 3.88Å
169	G	98.9	Very high	98.5	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-63.2	-39.7	166.3	0	0	0	0	0	110.7	I93 D166 S167 M172 A173	I93-G169 WeakPolarHBondContact O-CA 3.41Å; D166-G169 CarbonylContact O-C 3.54Å; D166-G169 WeakPolarHBondContact O-CA 3.43Å; D166-G169 PolarHBondContact O-N 3Å; S167-G169 VanDerWaalsContact C-N 3.31Å; G169-M172 PolarHBondContact O-N 3Å; G169-A173 VanDerWaalsContact O-CB 3.29Å; G169-A173 WeakPolarHBondContact O-CB 3.31Å; G169-A173 PolarHBondContact O-N 3.42Å
170	G	98.9	Very high	98.7	Very high	0 Å²	0	4.2 Å²	4.2	0%	0	2%	0.019	C	C	.	.	H	α-helix	trans	-61.9	-42	169	0	0	0	0	0	112.5	G165 D166 S167 V168 A173 T174 L193	G165-G170 VanDerWaalsContact C-N 3.35Å; D166-G170 PolarHBondContact O-N 3.23Å; D166-G170 VanDerWaalsContact O-N 3.08Å; S167-G170 CarbonylContact O-C 3.57Å; S167-G170 VanDerWaalsContact O-CA 3.31Å; S167-G170 WeakPolarHBondContact O-CA 3.37Å; S167-G170 PolarHBondContact O-N 3.43Å; S167-G170 VanDerWaalsContact O-N 3.07Å; V168-G170 VanDerWaalsContact C-N 3.28Å; G170-A173 PolarHBondContact O-N 2.99Å; G170-T174 WeakPolarHBondContact O-CG2 3.46Å; G170-T174 PolarHBondContact O-N 3.38Å; G170-T174 VanDerWaalsContact O-N 3.08Å; G170-L193 WeakPolarHBondContact O-CD2 3.48Å
171	N	98.9	Very high	98.8	Very high	0 Å²	0	4.4 Å²	4.4	0%	0	2%	0.022	C	C	.	.	H	α-helix	trans	-54.9	-56.5	171.3	-179.5	-93.1	0	0	0	110.8	W98 S167 V168 A173 T174 V175 V197 I240 P242	W98-N171 HydrophobicContact CZ2-CB 4.2Å; S167-N171 PolarHBondContact O-N 3.17Å; V168-N171 VanDerWaalsContact O-CB 3.25Å; V168-N171 WeakPolarHBondContact O-CB 3.5Å; V168-N171 PolarHBondContact O-N 3.46Å; N171-A173 VanDerWaalsContact C-N 3.28Å; N171-A173 PolarHBondContact O-N 3.47Å; N171-T174 PolarHBondContact O-N 2.87Å; N171-T174 VanDerWaalsContact O-N 3.15Å; N171-T174 PolarHBondContact O-OG1 2.92Å; N171-V175 WeakPolarHBondContact O-CG2 3.34Å; N171-V175 PolarHBondContact O-N 2.93Å; N171-V175 VanDerWaalsContact O-N 3.15Å; N171-V197 VanDerWaalsContact CA-O 3.25Å; N171-V197 WeakPolarHBondContact CA-O 3.35Å; N171-V197 HydrophobicContact CB-CB 4.08Å; N171-V197 WeakPolarHBondContact CB-O 3.23Å; N171-V197 PolarHBondContact ND2-O 2.68Å; N171-I240 PolarHBondContact ND2-O 3.16Å; N171-P242 VanDerWaalsContact ND2-CD 3.33Å; N171-P242 WeakPolarHBondContact ND2-CD 3.4Å
172	M	98.9	Very high	98.8	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-61.6	-39	-178.4	-67.4	-174.4	-80.3	0	0	111.5	I93 Y126 A137 I138 V168 G169 T174 V175 L176	I93-M172 HydrophobicContact CG2-CB 4.04Å; I93-M172 HydrophobicContact CG2-CE 3.36Å; I93-M172 HydrophobicContact CG2-SD 4.08Å; Y126-M172 HydrophobicContact CD1-CE 4.38Å; Y126-M172 HydrophobicContact CE1-CE 3.67Å; Y126-M172 HydrophobicContact CE2-CE 4.17Å; A137-M172 HydrophobicContact CB-SD 3.91Å; I138-M172 HydrophobicContact CD1-CG 4.45Å; I138-M172 HydrophobicContact CG1-CB 4.34Å; I138-M172 HydrophobicContact CG1-CG 3.72Å; I138-M172 HydrophobicContact CG1-SD 4.19Å; V168-M172 WeakPolarHBondContact O-CE 3.33Å; V168-M172 WeakPolarHBondContact O-CG 3.49Å; V168-M172 PolarHBondContact O-N 3.1Å; G169-M172 PolarHBondContact O-N 3Å; M172-T174 PolarHBondContact O-N 3.41Å; M172-V175 CarbonylContact O-C 3.58Å; M172-V175 PolarHBondContact O-N 3.16Å; M172-V175 VanDerWaalsContact O-N 3.07Å; M172-L176 VanDerWaalsContact O-CG 3.3Å; M172-L176 WeakPolarHBondContact O-CG 3.22Å; M172-L176 PolarHBondContact O-N 3.23Å
173	A	98.9	Very high	98.8	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-55.8	-46.8	175.1	0	0	0	0	0	112.2	I163 G169 G170 N171 V175 L176 T177 L193	I163-A173 HydrophobicContact CG2-CB 3.66Å; G169-A173 VanDerWaalsContact O-CB 3.29Å; G169-A173 WeakPolarHBondContact O-CB 3.31Å; G169-A173 PolarHBondContact O-N 3.42Å; G170-A173 PolarHBondContact O-N 2.99Å; N171-A173 VanDerWaalsContact C-N 3.28Å; N171-A173 PolarHBondContact O-N 3.47Å; A173-V175 VanDerWaalsContact C-N 3.32Å; A173-V175 PolarHBondContact O-N 3Å; A173-L176 PolarHBondContact O-N 3.3Å; A173-T177 WeakPolarHBondContact O-CG2 3.42Å; A173-T177 PolarHBondContact O-N 2.98Å; A173-L193 HydrophobicContact CB-CD2 3.63Å
174	T	98.9	Very high	98.8	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-59.4	-44.4	174.7	66.5	0	0	0	0	111.5	G170 N171 M172 L176 T177 M178 L193 P242 Y273	G170-T174 WeakPolarHBondContact O-CG2 3.46Å; G170-T174 PolarHBondContact O-N 3.38Å; G170-T174 VanDerWaalsContact O-N 3.08Å; N171-T174 PolarHBondContact O-N 2.87Å; N171-T174 VanDerWaalsContact O-N 3.15Å; N171-T174 PolarHBondContact O-OG1 2.92Å; M172-T174 PolarHBondContact O-N 3.41Å; T174-L176 PolarHBondContact O-N 3.39Å; T174-T177 PolarHBondContact O-N 3.33Å; T174-T177 PolarHBondContact O-OG1 3.26Å; T174-M178 PolarHBondContact O-N 3.17Å; T174-L193 HydrophobicContact CG2-CD1 3.52Å; T174-L193 HydrophobicContact CG2-CD2 4Å; T174-L193 HydrophobicContact CG2-CG 4.43Å; T174-P242 WeakPolarHBondContact OG1-CB 3.37Å; T174-P242 WeakPolarHBondContact OG1-CG 3.32Å; T174-Y273 HydrophobicContact CG2-CD1 4.26Å; T174-Y273 HydrophobicContact CG2-CE1 3.44Å; T174-Y273 VanDerWaalsContact CG2-CE1 3.44Å
175	V	98.9	Very high	98.7	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-64.7	-40.8	-178.8	178.6	0	0	0	0	111.2	I138 N171 M172 A173 T177 M178 L179 T239 P242	I138-V175 HydrophobicContact CD1-CB 4.36Å; I138-V175 HydrophobicContact CD1-CG1 4.06Å; I138-V175 HydrophobicContact CD1-CG2 4.38Å; I138-V175 HydrophobicContact CG2-CG1 3.82Å; N171-V175 WeakPolarHBondContact O-CG2 3.34Å; N171-V175 PolarHBondContact O-N 2.93Å; N171-V175 VanDerWaalsContact O-N 3.15Å; M172-V175 CarbonylContact O-C 3.58Å; M172-V175 PolarHBondContact O-N 3.16Å; M172-V175 VanDerWaalsContact O-N 3.07Å; A173-V175 VanDerWaalsContact C-N 3.32Å; A173-V175 PolarHBondContact O-N 3Å; V175-T177 VanDerWaalsContact C-N 3.25Å; V175-T177 PolarHBondContact O-N 2.95Å; V175-M178 PolarHBondContact O-N 3.47Å; V175-M178 VanDerWaalsContact O-N 3.1Å; V175-L179 HydrophobicContact CG1-CD1 4.02Å; V175-L179 HydrophobicContact CG1-CG 3.98Å; V175-L179 WeakPolarHBondContact O-CG 3.42Å; V175-L179 PolarHBondContact O-N 3.1Å; V175-T239 HydrophobicContact CG1-CG2 3.88Å; V175-P242 HydrophobicContact CG2-CG 3.95Å
176	L	98.9	Very high	98.6	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-59	-37.1	176	-67.2	-177	0	0	0	112	L91 I93 Y142 I163 M172 A173 T174 L179 A180	L91-L176 HydrophobicContact CD2-CD1 4.08Å; I93-L176 HydrophobicContact CD1-CD1 4.07Å; I93-L176 HydrophobicContact CG1-CD1 4Å; Y142-L176 HydrophobicContact CD2-CD2 3.99Å; Y142-L176 HydrophobicContact CG-CD2 4.23Å; I163-L176 HydrophobicContact CG2-CB 4.29Å; I163-L176 HydrophobicContact CG2-CD1 3.91Å; M172-L176 VanDerWaalsContact O-CG 3.3Å; M172-L176 WeakPolarHBondContact O-CG 3.22Å; M172-L176 PolarHBondContact O-N 3.23Å; A173-L176 PolarHBondContact O-N 3.3Å; T174-L176 PolarHBondContact O-N 3.39Å; L176-L179 PolarHBondContact O-N 3.31Å; L176-A180 VanDerWaalsContact O-CB 3.29Å; L176-A180 WeakPolarHBondContact O-CB 3.49Å; L176-A180 PolarHBondContact O-N 3.04Å
177	T	98.8	Very high	98.6	Very high	3 Å²	3	32.2 Å²	32.2	2%	0.018	16%	0.157	C	C	.	.	H	α-helix	trans	-65.1	-40.8	175.2	72.6	0	0	0	0	112.4	A173 T174 V175 K181 I188 Q191 P254	A173-T177 WeakPolarHBondContact O-CG2 3.42Å; A173-T177 PolarHBondContact O-N 2.98Å; T174-T177 PolarHBondContact O-N 3.33Å; T174-T177 PolarHBondContact O-OG1 3.26Å; V175-T177 VanDerWaalsContact C-N 3.25Å; V175-T177 PolarHBondContact O-N 2.95Å; T177-K181 PolarHBondContact O-N 3.1Å; T177-K181 VanDerWaalsContact O-N 3.16Å; T177-I188 HydrophobicContact CG2-CD1 4.24Å; T177-I188 HydrophobicContact CG2-CG2 4.4Å; T177-Q191 HydrophobicContact CG2-CB 4.03Å; T177-P254 HydrophobicContact CG2-CG 3.5Å
178	M	98.8	Very high	98.6	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-67.7	-44.7	176.7	-61.1	-178.7	-164	0	0	111.2	T174 V175 A180 K181 D182 K238 P242 A245 L250 L253 Y273	T174-M178 PolarHBondContact O-N 3.17Å; V175-M178 PolarHBondContact O-N 3.47Å; V175-M178 VanDerWaalsContact O-N 3.1Å; M178-A180 PolarHBondContact O-N 3.18Å; M178-K181 PolarHBondContact O-N 3.23Å; M178-D182 WeakPolarHBondContact O-CB 3.19Å; M178-D182 VanDerWaalsContact O-CG 3.25Å; M178-D182 PolarHBondContact O-N 2.59Å; M178-K238 HydrophobicContact SD-CB 4.06Å; M178-K238 HydrophobicContact SD-CD 3.93Å; M178-K238 HydrophobicContact SD-CG 4.11Å; M178-P242 HydrophobicContact CE-CB 3.88Å; M178-A245 HydrophobicContact CE-CB 3.98Å; M178-A245 HydrophobicContact SD-CB 4.2Å; M178-L250 HydrophobicContact CE-CD2 3.55Å; M178-L253 HydrophobicContact CE-CD1 4.29Å; M178-L253 HydrophobicContact CG-CD1 3.97Å; M178-L253 HydrophobicContact CG-CD2 4.23Å; M178-Y273 HydrophobicContact CE-CE2 4.11Å
179	L	98.7	Very high	98.5	Very high	10 Å²	10	35 Å²	35	5%	0.052	17%	0.171	C	C	.	.	H	α-helix	trans	-63	-40.9	177	-68.2	-175.1	0	0	0	111.9	I138 Y142 V175 L176 K181 D182 R183 T239	I138-L179 HydrophobicContact CG2-CD1 3.55Å; Y142-L179 HydrophobicContact CD2-CB 4.09Å; Y142-L179 HydrophobicContact CE2-CB 4.05Å; Y142-L179 HydrophobicContact CG-CD1 4.48Å; V175-L179 HydrophobicContact CG1-CD1 4.02Å; V175-L179 HydrophobicContact CG1-CG 3.98Å; V175-L179 WeakPolarHBondContact O-CG 3.42Å; V175-L179 PolarHBondContact O-N 3.1Å; L176-L179 PolarHBondContact O-N 3.31Å; L179-K181 VanDerWaalsContact C-N 3.32Å; L179-K181 PolarHBondContact O-N 3.49Å; L179-D182 PolarHBondContact O-N 3.14Å; L179-R183 WeakPolarHBondContact O-CB 3.1Å; L179-R183 VanDerWaalsContact O-CG 3.27Å; L179-R183 WeakPolarHBondContact O-CG 3.47Å; L179-R183 PolarHBondContact O-N 2.95Å; L179-T239 HydrophobicContact CD2-CG2 4.06Å
180	A	98.7	Very high	98.5	Very high	7 Å²	7	35.1 Å²	35.1	6%	0.058	17%	0.172	C	C	.	.	H	α-helix	trans	-59.2	-43.8	175	0	0	0	0	0	111.6	Y142 L176 M178 Q184 G185 I188	Y142-A180 HydrophobicContact CE2-CB 4.14Å; L176-A180 VanDerWaalsContact O-CB 3.29Å; L176-A180 WeakPolarHBondContact O-CB 3.49Å; L176-A180 PolarHBondContact O-N 3.04Å; M178-A180 PolarHBondContact O-N 3.18Å; A180-Q184 PolarHBondContact O-N 3.26Å; A180-G185 PolarHBondContact O-N 3.33Å; A180-I188 HydrophobicContact CB-CD1 3.59Å; A180-I188 HydrophobicContact CB-CG1 4.41Å
181	K	98.5	Very high	98.5	Very high	70 Å²	70	35.1 Å²	35.1	30%	0.304	17%	0.172	S	C	.	.	H	α-helix	trans	-64.4	-55.4	174.9	-175	177.9	65.7	165	0	111.8	T177 M178 L179 R183 Q184 E248 E249 T251 L253	T177-K181 PolarHBondContact O-N 3.1Å; T177-K181 VanDerWaalsContact O-N 3.16Å; M178-K181 PolarHBondContact O-N 3.23Å; L179-K181 VanDerWaalsContact C-N 3.32Å; L179-K181 PolarHBondContact O-N 3.49Å; K181-R183 VanDerWaalsContact C-N 3.29Å; K181-R183 PolarHBondContact O-N 2.92Å; K181-Q184 PolarHBondContact O-N 3.32Å; K181-E248 PolarHBondContact NZ-O 2.9Å; K181-E249 WeakPolarHBondContact CE-O 3.35Å; K181-E249 PolarHBondContact NZ-O 3.44Å; K181-T251 PolarHBondContact NZ-O 3.07Å; K181-L253 HydrophobicContact CB-CD2 4.42Å; K181-L253 HydrophobicContact CD-CD2 4.4Å
182	D	98.4	Very high	98.5	Very high	79 Å²	79	35.1 Å²	35.1	42%	0.422	17%	0.172	S	C	.	.	H	α-helix	trans	-63.3	-35.5	-172.8	-70.4	-5.1	0	0	0	112.2	M178 L179 K238	M178-D182 WeakPolarHBondContact O-CB 3.19Å; M178-D182 VanDerWaalsContact O-CG 3.25Å; M178-D182 PolarHBondContact O-N 2.59Å; L179-D182 PolarHBondContact O-N 3.14Å; D182-K238 IonicContact OD1-NZ 3.67Å; D182-K238 WeakPolarHBondContact OD2-CE 3.48Å; D182-K238 IonicContact OD2-NZ 2.66Å; D182-K238 PolarHBondContact OD2-NZ 2.67Å
183	R	98.5	Very high	98.5	Very high	106 Å²	106	35.1 Å²	35.1	40%	0.4	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	3.6	-178.7	-57.5	175	179.9	-175.2	-0.3	113.4	E139 L179 K181 G185	E139-R183 IonicContact OE1-CZ 2.64Å; E139-R183 IonicContact OE1-NH1 3.54Å; E139-R183 PolarHBondContact OE1-NH1 3.37Å; E139-R183 IonicContact OE1-NH2 3.14Å; E139-R183 PolarHBondContact OE1-NH2 3.26Å; E139-R183 IonicContact OE2-CZ 3.23Å; E139-R183 IonicContact OE2-NH1 3.29Å; E139-R183 PolarHBondContact OE2-NH1 2.97Å; E139-R183 IonicContact OE2-NH2 2.63Å; L179-R183 WeakPolarHBondContact O-CB 3.1Å; L179-R183 VanDerWaalsContact O-CG 3.27Å; L179-R183 WeakPolarHBondContact O-CG 3.47Å; L179-R183 PolarHBondContact O-N 2.95Å; K181-R183 VanDerWaalsContact C-N 3.29Å; K181-R183 PolarHBondContact O-N 2.92Å; R183-G185 PolarHBondContact O-N 3.17Å
184	Q	98.1	Very high	98.5	Very high	180 Å²	180	35.1 Å²	35.1	84%	0.841	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.4	41.9	-175.5	-59.7	169.3	69.9	0	0	112.2	A180 K181	A180-Q184 PolarHBondContact O-N 3.26Å; K181-Q184 PolarHBondContact O-N 3.32Å
185	G	98	Very high	98.5	Very high	29 Å²	29	35.1 Å²	35.1	30%	0.299	17%	0.172	S	C	.	.			trans	-79.5	-164.1	177.3	0	0	0	0	0	113.2	A180 R183	A180-G185 PolarHBondContact O-N 3.33Å; R183-G185 PolarHBondContact O-N 3.17Å
186	P	97.5	Very high	98.5	Very high	25 Å²	25	35.1 Å²	35.1	16%	0.162	17%	0.172	C	C	.	.	P	Polyproline II helix	trans	-56.4	143.4	178.1	-26.2	35.2	0	0	0	112.7	L145 L146 V149 I161 I188	L145-P186 HydrophobicContact CG-CG 4.34Å; L146-P186 VanDerWaalsContact CD2-CD 3.46Å; L146-P186 HydrophobicContact CD2-CG 4.01Å; V149-P186 HydrophobicContact CB-CB 4.49Å; V149-P186 HydrophobicContact CB-CG 4.07Å; V149-P186 HydrophobicContact CG1-CB 4.38Å; V149-P186 HydrophobicContact CG1-CG 4.17Å; V149-P186 HydrophobicContact CG2-CB 3.88Å; V149-P186 HydrophobicContact CG2-CG 3.84Å; I161-P186 HydrophobicContact CD1-CB 4.32Å; P186-I188 PolarHBondContact O-N 3.49Å
187	K	97.5	Very high	98.5	Very high	164 Å²	164	35.1 Å²	35.1	71%	0.713	17%	0.172	S	C	*	.	P	Polyproline II helix	trans	-70	118	174.6	-176.3	-178.8	177.6	-173.8	0	109.3
188	I	98.5	Very high	98.5	Very high	15 Å²	15	35 Å²	35	8%	0.077	17%	0.171	C	C	.	.	P	Polyproline II helix	trans	-92.3	135	169.4	-62.6	158.6	0	0	0	107.8	L145 I161 I163 T177 A180 P186 Q190 P254	L145-I188 HydrophobicContact CD2-CD1 3.99Å; L145-I188 HydrophobicContact CD2-CG1 4.27Å; I161-I188 HydrophobicContact CG2-CG1 4.24Å; I163-I188 HydrophobicContact CD1-CD1 4.12Å; I163-I188 HydrophobicContact CD1-CG1 4.17Å; I163-I188 HydrophobicContact CG1-CB 4.45Å; I163-I188 HydrophobicContact CG1-CD1 3.53Å; I163-I188 HydrophobicContact CG1-CG1 3.82Å; I163-I188 HydrophobicContact CG1-CG2 3.76Å; T177-I188 HydrophobicContact CG2-CD1 4.24Å; T177-I188 HydrophobicContact CG2-CG2 4.4Å; A180-I188 HydrophobicContact CB-CD1 3.59Å; A180-I188 HydrophobicContact CB-CG1 4.41Å; P186-I188 PolarHBondContact O-N 3.49Å; I188-Q190 VanDerWaalsContact CG2-O 3.24Å; I188-Q190 WeakPolarHBondContact CG2-O 3.41Å; I188-P254 HydrophobicContact CB-CB 4.5Å; I188-P254 HydrophobicContact CB-CG 4.24Å; I188-P254 HydrophobicContact CG2-CB 3.98Å; I188-P254 HydrophobicContact CG2-CG 3.74Å
189	N	98.1	Very high	98.5	Very high	46 Å²	46	35.7 Å²	35.7	25%	0.246	18%	0.175	C	C	.	.			trans	-93.1	-36.6	-178.8	-55.4	75.4	0	0	0	111.4	D159 R160 I161 P254 A255	D159-N189 VanDerWaalsContact O-CG 3.31Å; D159-N189 PolarHBondContact O-ND2 2.89Å; D159-N189 PolarHBondContact O-OD1 3.27Å; R160-N189 WeakPolarHBondContact CA-OD1 3.47Å; I161-N189 PolarHBondContact N-OD1 2.84Å; I161-N189 PolarHBondContact O-N 3.43Å; I161-N189 PolarHBondContact O-OD1 2.98Å; N189-P254 VanDerWaalsContact C-CB 3.42Å; N189-P254 WeakPolarHBondContact O-CB 3.31Å; N189-A255 PolarHBondContact O-N 3.11Å
190	Q	98.4	Very high	98.5	Very high	3 Å²	3	38 Å²	38	1%	0.014	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	149.1	-169.5	-62	176.2	-101.8	0	0	111.8	I161 T162 I163 I188 A255 W318 R322	I161-Q190 PolarHBondContact O-N 2.89Å; T162-Q190 WeakPolarHBondContact CA-O 3.42Å; T162-Q190 HydrophobicContact CG2-CB 4.07Å; I163-Q190 PolarHBondContact N-O 2.94Å; I188-Q190 VanDerWaalsContact CG2-O 3.24Å; I188-Q190 WeakPolarHBondContact CG2-O 3.41Å; Q190-A255 CarbonylContact C-O 3.52Å; Q190-A255 WeakPolarHBondContact CA-O 3.33Å; Q190-W318 HydrophobicContact CB-CH2 3.87Å; Q190-W318 HydrophobicContact CB-CZ3 4.03Å; Q190-W318 HydrophobicContact CG-CH2 4.08Å; Q190-W318 HydrophobicContact CG-CZ3 4.31Å; Q190-R322 HydrophobicContact CG-CB 4.29Å
191	Q	98.8	Very high	98.4	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	125.8	166.1	63.1	-174.1	-65.2	0	0	110.6	I163 T177 L193 P254 A255 A256 M257	I163-Q191 CarbonylContact O-C 3.6Å; I163-Q191 WeakPolarHBondContact O-CA 3.44Å; T177-Q191 HydrophobicContact CG2-CB 4.03Å; Q191-L193 HydrophobicContact CG-CD1 4.4Å; Q191-P254 HydrophobicContact CB-CG 4.34Å; Q191-P254 HydrophobicContact CG-CG 4.38Å; Q191-P254 PolarHBondContact NE2-O 3.25Å; Q191-A255 PolarHBondContact N-O 3.38Å; Q191-A256 HydrophobicContact CG-CB 3.43Å; Q191-A256 VanDerWaalsContact CG-CB 3.43Å; Q191-A256 CarbonylContact O-C 3.56Å; Q191-A256 WeakPolarHBondContact O-CA 3.33Å; Q191-M257 PolarHBondContact O-N 3.41Å
192	L	98.9	Very high	98.4	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	114.1	178.2	172.2	62.4	0	0	0	109.6	L113 T162 I163 A164 G165 Y194 M257 L259 L319	L113-L192 HydrophobicContact CD2-CD2 4.08Å; T162-L192 HydrophobicContact CG2-CB 4.33Å; I163-L192 PolarHBondContact O-N 2.69Å; A164-L192 CarbonylContact C-O 3.59Å; A164-L192 WeakPolarHBondContact CA-O 3.16Å; A164-L192 HydrophobicContact CB-CB 4.01Å; A164-L192 HydrophobicContact CB-CG 4.49Å; G165-L192 PolarHBondContact N-O 2.97Å; L192-Y194 HydrophobicContact CD1-CE2 4.48Å; L192-Y194 HydrophobicContact CD2-CE2 3.93Å; L192-Y194 HydrophobicContact CG-CE2 3.98Å; L192-M257 HydrophobicContact CD1-CB 3.93Å; L192-M257 HydrophobicContact CD1-CG 4.11Å; L192-M257 HydrophobicContact CD1-SD 4.12Å; L192-L259 HydrophobicContact CD1-CD1 3.6Å; L192-L319 HydrophobicContact CD2-CD1 3.68Å; L192-L319 HydrophobicContact CD2-CD2 4.5Å; L192-L319 HydrophobicContact CD2-CG 4.23Å
193	L	98.9	Very high	98.4	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	109.2	-167	-54.1	174.8	0	0	0	109.7	G170 A173 T174 Q191 P196 M257 I258 L259 Y273	G170-L193 WeakPolarHBondContact O-CD2 3.48Å; A173-L193 HydrophobicContact CB-CD2 3.63Å; T174-L193 HydrophobicContact CG2-CD1 3.52Å; T174-L193 HydrophobicContact CG2-CD2 4Å; T174-L193 HydrophobicContact CG2-CG 4.43Å; Q191-L193 HydrophobicContact CG-CD1 4.4Å; L193-P196 HydrophobicContact CB-CB 4.16Å; L193-P196 HydrophobicContact CB-CG 3.94Å; L193-P196 HydrophobicContact CD1-CG 4.46Å; L193-M257 PolarHBondContact N-O 2.8Å; L193-I258 HydrophobicContact CB-CG1 4.09Å; L193-I258 HydrophobicContact CD1-CD1 4.27Å; L193-I258 HydrophobicContact CD1-CG1 3.79Å; L193-I258 HydrophobicContact CG-CG1 4.41Å; L193-I258 WeakPolarHBondContact O-CA 3.4Å; L193-L259 PolarHBondContact O-N 3.01Å; L193-Y273 HydrophobicContact CD1-CD1 4.44Å; L193-Y273 HydrophobicContact CD1-CE1 4Å
194	Y	98.9	Very high	98.4	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	117.7	170.1	-59.5	-77.5	0	0	0	108.7	Y92 G165 D166 S167 L192 P196 L259 V297 S315	Y92-Y194 HydrophobicContact CE2-CE2 4.32Å; G165-Y194 PolarHBondContact O-N 3.18Å; D166-Y194 CarbonylContact C-O 3.59Å; D166-Y194 VanDerWaalsContact CA-O 3.26Å; D166-Y194 WeakPolarHBondContact CA-O 3.4Å; S167-Y194 PolarHBondContact N-O 2.91Å; L192-Y194 HydrophobicContact CD1-CE2 4.48Å; L192-Y194 HydrophobicContact CD2-CE2 3.93Å; L192-Y194 HydrophobicContact CG-CE2 3.98Å; Y194-P196 VanDerWaalsContact O-N 3.14Å; Y194-L259 HydrophobicContact CD1-CB 4.25Å; Y194-L259 HydrophobicContact CD1-CD1 3.86Å; Y194-L259 HydrophobicContact CD1-CD2 4.31Å; Y194-L259 HydrophobicContact CD1-CG 4.39Å; Y194-L259 HydrophobicContact CE1-CD1 3.9Å; Y194-L259 HydrophobicContact CE1-CD2 4.06Å; Y194-V297 HydrophobicContact CD1-CB 4.3Å; Y194-V297 HydrophobicContact CD1-CG1 3.89Å; Y194-V297 HydrophobicContact CD1-CG2 3.55Å; Y194-V297 HydrophobicContact CD2-CG2 4.04Å; Y194-V297 HydrophobicContact CE1-CB 4.42Å; Y194-V297 HydrophobicContact CE1-CG1 3.97Å; Y194-V297 HydrophobicContact CE1-CG2 4.01Å; Y194-V297 HydrophobicContact CE2-CG2 4.45Å; Y194-V297 HydrophobicContact CG-CG2 3.56Å; Y194-S315 WeakPolarHBondContact OH-CB 3.45Å; Y194-S315 PolarHBondContact OH-OG 3.34Å
195	Y	98.9	Very high	98.4	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.174	C	C	.	.	S	Bend	trans	37.2	58	176.8	35.6	-97.1	0	0	0	113.1	D166 S167 L259 D264 L266 H294 D295 F296 V297	D166-Y195 HydrophobicContact CB-CE2 3.75Å; S167-Y195 VanDerWaalsContact CA-O 3.32Å; S167-Y195 WeakPolarHBondContact CA-O 3.44Å; Y195-L259 WeakPolarHBondContact CA-O 3.46Å; Y195-L259 PolarHBondContact N-O 3.19Å; Y195-D264 WeakPolarHBondContact CB-OD2 3.47Å; Y195-L266 WeakPolarHBondContact O-CD1 3.3Å; Y195-H294 AromaticContact CD2-CE1 3.29Å; Y195-H294 WeakPolarHBondContact CD2-CE1 3.36Å; Y195-H294 AromaticContact CD2-ND1 3.61Å; Y195-H294 AromaticContact CD2-NE2 3.99Å; Y195-H294 AromaticContact CE2-CE1 3.96Å; Y195-H294 AromaticContact CG-ND1 3.97Å; Y195-D295 WeakPolarHBondContact CE2-OD1 3.36Å; Y195-D295 VanDerWaalsContact CZ-CA 3.42Å; Y195-D295 VanDerWaalsContact OH-CA 3.3Å; Y195-D295 WeakPolarHBondContact OH-CA 3.06Å; Y195-F296 AromaticContact CD1-CD1 3.66Å; Y195-F296 HydrophobicContact CD1-CD1 3.66Å; Y195-F296 AromaticContact CD1-CE1 3.43Å; Y195-F296 HydrophobicContact CD1-CE1 3.43Å; Y195-F296 VanDerWaalsContact CD1-CE1 3.43Å; Y195-F296 HydrophobicContact CD1-CZ 4.35Å; Y195-F296 AromaticContact CE1-CD1 3.56Å; Y195-F296 HydrophobicContact CE1-CD1 3.56Å; Y195-F296 AromaticContact CE1-CE1 3.64Å; Y195-F296 HydrophobicContact CE1-CE1 3.64Å; Y195-F296 HydrophobicContact CE1-CG 4.29Å; Y195-F296 HydrophobicContact CE1-CZ 4.4Å; Y195-V297 HydrophobicContact CE1-CG2 3.84Å; Y195-V297 WeakPolarHBondContact OH-CG2 3.39Å
196	P	98.9	Very high	98.4	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.16	C	C	.	.			trans	-68.7	139.6	-168.2	29.3	-36.1	0	0	0	111.5	S167 L193 Y194 T198 I258	S167-P196 WeakPolarHBondContact O-CA 3.48Å; L193-P196 HydrophobicContact CB-CB 4.16Å; L193-P196 HydrophobicContact CB-CG 3.94Å; L193-P196 HydrophobicContact CD1-CG 4.46Å; Y194-P196 VanDerWaalsContact O-N 3.14Å; P196-T198 HydrophobicContact CB-CG2 4.05Å; P196-T198 HydrophobicContact CG-CG2 4.04Å; P196-I258 HydrophobicContact CG-CG2 4.16Å
197	V	98.9	Very high	98.5	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.152	C	C	.	.			trans	-70	128.1	161.8	177.4	0	0	0	0	108.1	W98 S167 V168 N171 M221 W225 L266 E269	W98-V197 HydrophobicContact CH2-CG1 4.06Å; S167-V197 PolarHBondContact O-N 2.92Å; V168-V197 HydrophobicContact CG1-CG2 3.88Å; N171-V197 VanDerWaalsContact CA-O 3.25Å; N171-V197 WeakPolarHBondContact CA-O 3.35Å; N171-V197 HydrophobicContact CB-CB 4.08Å; N171-V197 WeakPolarHBondContact CB-O 3.23Å; N171-V197 PolarHBondContact ND2-O 2.68Å; V197-M221 HydrophobicContact CG1-CE 4.09Å; V197-M221 HydrophobicContact CG2-CE 3.63Å; V197-M221 HydrophobicContact CG2-SD 4.47Å; V197-W225 HydrophobicContact CG1-CH2 4.4Å; V197-W225 HydrophobicContact CG1-CZ2 3.49Å; V197-W225 VanDerWaalsContact CG1-CZ2 3.49Å; V197-L266 HydrophobicContact CB-CD1 4.36Å; V197-L266 HydrophobicContact CG2-CD1 3.36Å; V197-L266 HydrophobicContact CG2-CD2 3.93Å; V197-L266 HydrophobicContact CG2-CG 4.3Å; V197-E269 VanDerWaalsContact CA-OE1 3.31Å; V197-E269 WeakPolarHBondContact CA-OE1 3.37Å
198	T	98.8	Very high	98.5	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.142	C	C	.	.			trans	-132.6	-11.8	-175.9	58	0	0	0	0	113.9	P196 S241 P242 L243 E269 Y273	P196-T198 HydrophobicContact CB-CG2 4.05Å; P196-T198 HydrophobicContact CG-CG2 4.04Å; T198-S241 CarbonylContact O-C 3.59Å; T198-S241 VanDerWaalsContact O-CA 3.28Å; T198-S241 WeakPolarHBondContact O-CA 3.44Å; T198-P242 WeakPolarHBondContact O-CD 3.38Å; T198-P242 VanDerWaalsContact O-N 3.17Å; T198-L243 VanDerWaalsContact O-CB 3.22Å; T198-L243 WeakPolarHBondContact O-CB 3.21Å; T198-L243 PolarHBondContact O-N 3.39Å; T198-E269 PolarHBondContact N-OE1 3.49Å; T198-E269 WeakPolarHBondContact OG1-CB 3.46Å; T198-E269 WeakPolarHBondContact OG1-CG 3.18Å; T198-E269 PolarHBondContact OG1-O 3.02Å; T198-E269 VanDerWaalsContact OG1-O 3.12Å; T198-Y273 HydrophobicContact CG2-CD1 4.16Å; T198-Y273 HydrophobicContact CG2-CD2 4.48Å; T198-Y273 HydrophobicContact CG2-CG 3.9Å
199	N	98.6	Very high	98.4	Very high	16 Å²	16	29.1 Å²	29.1	9%	0.086	16%	0.156	C	C	.	.			trans	-148.7	136.9	-176.9	-161.1	31	0	0	0	113.8	A201 L243 Q244 E269	N199-A201 VanDerWaalsContact ND2-CB 3.32Å; N199-A201 WeakPolarHBondContact ND2-CB 3.49Å; N199-A201 PolarHBondContact O-N 2.97Å; N199-L243 HydrophobicContact CB-CB 4.02Å; N199-L243 HydrophobicContact CB-CD2 3.77Å; N199-Q244 PolarHBondContact OD1-NE2 3.41Å; N199-E269 HydrophobicContact CB-CB 4.37Å; N199-E269 PolarHBondContact N-OE1 3.19Å
200	H	98.2	Very high	98.3	Very high	57 Å²	57	27 Å²	27	26%	0.264	14%	0.144	S	C	.	.	S	Bend	trans	-93.7	66.2	173.8	-177.5	-106.1	0	0	0	111.4	F202 W225 A235 S241	H200-F202 AromaticContact CD2-CE2 3.57Å; H200-F202 AromaticContact CD2-CZ 3.4Å; H200-F202 VanDerWaalsContact CD2-CZ 3.4Å; H200-F202 WeakPolarHBondContact CD2-CZ 3.34Å; H200-F202 AromaticContact NE2-CE2 3.48Å; H200-F202 WeakPolarHBondContact NE2-CE2 3.4Å; H200-F202 AromaticContact NE2-CZ 3.55Å; H200-W225 HydrophobicContact CB-CD2 4.31Å; H200-W225 HydrophobicContact CB-CE3 4.49Å; H200-W225 HydrophobicContact CB-CH2 4.19Å; H200-W225 HydrophobicContact CB-CZ2 3.92Å; H200-W225 HydrophobicContact CB-CZ3 4.48Å; H200-W225 AromaticContact CD2-CD1 3.7Å; H200-W225 AromaticContact CD2-CD2 3.31Å; H200-W225 AromaticContact CD2-CE2 3.7Å; H200-W225 AromaticContact CD2-CE3 3.8Å; H200-W225 AromaticContact CD2-CG 3.27Å; H200-W225 AromaticContact CD2-NE1 3.89Å; H200-W225 AromaticContact NE2-CG 3.87Å; H200-A235 HydrophobicContact CB-CB 3.84Å; H200-A235 WeakPolarHBondContact ND1-CB 3.44Å; H200-S241 PolarHBondContact N-OG 3.33Å
201	A	97.6	Very high	98.2	Very high	35 Å²	35	28 Å²	28	29%	0.289	15%	0.154	S	C	.	.			trans	-132.5	-31.7	-177.9	0	0	0	0	0	115	N199 D203	N199-A201 VanDerWaalsContact ND2-CB 3.32Å; N199-A201 WeakPolarHBondContact ND2-CB 3.49Å; N199-A201 PolarHBondContact O-N 2.97Å; A201-D203 VanDerWaalsContact CB-OD1 3.25Å; A201-D203 WeakPolarHBondContact CB-OD1 3.26Å; A201-D203 PolarHBondContact O-N 3.17Å
202	F	98.1	Very high	98.1	Very high	24 Å²	24	31.5 Å²	31.5	11%	0.105	18%	0.175	C	C	.	.			trans	59.6	21	176.3	-39	-80.6	0	0	0	115.5	H200 Y207 K218 M221 K222 W225	H200-F202 AromaticContact CD2-CE2 3.57Å; H200-F202 AromaticContact CD2-CZ 3.4Å; H200-F202 VanDerWaalsContact CD2-CZ 3.4Å; H200-F202 WeakPolarHBondContact CD2-CZ 3.34Å; H200-F202 AromaticContact NE2-CE2 3.48Å; H200-F202 WeakPolarHBondContact NE2-CE2 3.4Å; H200-F202 AromaticContact NE2-CZ 3.55Å; F202-Y207 HydrophobicContact CB-CD1 4.17Å; F202-Y207 HydrophobicContact CB-CE1 4.24Å; F202-Y207 HydrophobicContact CB-CG 4.4Å; F202-Y207 HydrophobicContact CD1-CD1 4.43Å; F202-Y207 AromaticContact CD1-CE1 3.71Å; F202-Y207 HydrophobicContact CD1-CE1 3.71Å; F202-Y207 AromaticContact CD1-CZ 3.85Å; F202-Y207 HydrophobicContact CG-CE1 4.48Å; F202-Y207 WeakPolarHBondContact O-CB 3.26Å; F202-K218 HydrophobicContact CB-CG 4.48Å; F202-K218 WeakPolarHBondContact O-CE 3.13Å; F202-K218 PolarHBondContact O-NZ 3.31Å; F202-M221 HydrophobicContact CD1-CB 4.15Å; F202-M221 HydrophobicContact CE1-CB 3.87Å; F202-K222 HydrophobicContact CD1-CG 4.1Å; F202-K222 HydrophobicContact CD2-CG 4.26Å; F202-K222 HydrophobicContact CE1-CG 3.93Å; F202-K222 HydrophobicContact CE2-CG 4.11Å; F202-K222 HydrophobicContact CG-CG 4.24Å; F202-K222 HydrophobicContact CZ-CB 4.49Å; F202-K222 HydrophobicContact CZ-CG 3.93Å; F202-W225 AromaticContact CE1-CD1 3.37Å; F202-W225 HydrophobicContact CE1-CG 4.32Å; F202-W225 AromaticContact CE1-NE1 3.85Å; F202-W225 HydrophobicContact CZ-CB 4.14Å; F202-W225 AromaticContact CZ-CD1 3.34Å; F202-W225 AromaticContact CZ-CG 3.89Å; F202-W225 HydrophobicContact CZ-CG 3.89Å; F202-W225 AromaticContact CZ-NE1 3.97Å
203	D	97.9	Very high	97.9	Very high	109 Å²	109	33.8 Å²	33.8	58%	0.583	19%	0.187	S	C	*	.			trans	-117.6	2.5	-164.7	62.4	-10.3	0	0	0	114.8	A201	A201-D203 VanDerWaalsContact CB-OD1 3.25Å; A201-D203 WeakPolarHBondContact CB-OD1 3.26Å; A201-D203 PolarHBondContact O-N 3.17Å
204	T	98.6	Very high	97.7	Very high	28 Å²	28	33.9 Å²	33.9	17%	0.172	19%	0.187	C	C	.	.	S	Bend	trans	-69.4	164.8	175.6	69	0	0	0	0	112.8	S206 Y207 N208 D268	T204-S206 VanDerWaalsContact C-N 3.3Å; T204-S206 PolarHBondContact O-N 3.26Å; T204-S206 PolarHBondContact OG1-OG 3.02Å; T204-Y207 WeakPolarHBondContact O-CB 3.42Å; T204-Y207 PolarHBondContact O-N 3.47Å; T204-Y207 WeakPolarHBondContact OG1-CD2 3.37Å; T204-Y207 PolarHBondContact OG1-N 3.14Å; T204-N208 PolarHBondContact O-N 3.37Å; T204-N208 PolarHBondContact O-ND2 3.46Å; T204-N208 VanDerWaalsContact O-ND2 3.09Å; T204-D268 HydrophobicContact CG2-CB 4.03Å
205	D	98.3	Very high	97.5	Very high	122 Å²	122	35.9 Å²	35.9	65%	0.652	20%	0.196	S	C	*	.	H	α-helix	trans	-60.1	-40.8	175.2	-72.2	-15.6	0	0	0	111.2	Y207 N208 Q209 D268	D205-Y207 PolarHBondContact O-N 3.37Å; D205-N208 PolarHBondContact O-N 2.97Å; D205-N208 VanDerWaalsContact O-N 3.11Å; D205-Q209 VanDerWaalsContact O-CB 3.25Å; D205-Q209 WeakPolarHBondContact O-CB 3.41Å; D205-Q209 PolarHBondContact O-N 2.82Å; D205-D268 PolarHBondContact N-OD2 3.08Å
206	S	98.4	Very high	97.5	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-60.4	-40.7	175	59.9	0	0	0	0	113.1	T204 N208 F210 D264 V265 D268	T204-S206 VanDerWaalsContact C-N 3.3Å; T204-S206 PolarHBondContact O-N 3.26Å; T204-S206 PolarHBondContact OG1-OG 3.02Å; S206-N208 VanDerWaalsContact C-N 3.25Å; S206-N208 PolarHBondContact O-N 2.96Å; S206-F210 WeakPolarHBondContact O-CD2 3.42Å; S206-F210 PolarHBondContact O-N 2.96Å; S206-D264 WeakPolarHBondContact CB-O 3.36Å; S206-V265 PolarHBondContact OG-O 2.82Å; S206-D268 WeakPolarHBondContact CB-OD2 3.38Å; S206-D268 PolarHBondContact N-OD2 2.96Å; S206-D268 WeakPolarHBondContact OG-CB 3.46Å; S206-D268 VanDerWaalsContact OG-CG 3.29Å; S206-D268 PolarHBondContact OG-N 2.94Å; S206-D268 PolarHBondContact OG-OD2 3.46Å
207	Y	98.5	Very high	97.4	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-63	-31.8	174.6	-96.4	-71.3	0	0	0	112.9	F202 T204 D205 A211 K218 M221 V265 L266 E269	F202-Y207 HydrophobicContact CB-CD1 4.17Å; F202-Y207 HydrophobicContact CB-CE1 4.24Å; F202-Y207 HydrophobicContact CB-CG 4.4Å; F202-Y207 HydrophobicContact CD1-CD1 4.43Å; F202-Y207 AromaticContact CD1-CE1 3.71Å; F202-Y207 HydrophobicContact CD1-CE1 3.71Å; F202-Y207 AromaticContact CD1-CZ 3.85Å; F202-Y207 HydrophobicContact CG-CE1 4.48Å; F202-Y207 WeakPolarHBondContact O-CB 3.26Å; T204-Y207 WeakPolarHBondContact O-CB 3.42Å; T204-Y207 PolarHBondContact O-N 3.47Å; T204-Y207 WeakPolarHBondContact OG1-CD2 3.37Å; T204-Y207 PolarHBondContact OG1-N 3.14Å; D205-Y207 PolarHBondContact O-N 3.37Å; Y207-A211 WeakPolarHBondContact O-CA 3.41Å; Y207-A211 VanDerWaalsContact O-CB 3.27Å; Y207-A211 WeakPolarHBondContact O-CB 3.31Å; Y207-K218 HydrophobicContact CD1-CB 4.1Å; Y207-K218 HydrophobicContact CD1-CD 4.24Å; Y207-K218 HydrophobicContact CD1-CG 3.91Å; Y207-M221 HydrophobicContact CE1-CB 4.03Å; Y207-M221 HydrophobicContact CE1-CG 4.05Å; Y207-V265 HydrophobicContact CD1-CB 3.67Å; Y207-V265 HydrophobicContact CD1-CG1 4.2Å; Y207-V265 HydrophobicContact CD1-CG2 4.26Å; Y207-V265 WeakPolarHBondContact CD2-O 3.19Å; Y207-V265 HydrophobicContact CE1-CB 3.84Å; Y207-V265 HydrophobicContact CE1-CG2 3.91Å; Y207-V265 HydrophobicContact CG-CB 4.13Å; Y207-L266 HydrophobicContact CE2-CD2 4.42Å; Y207-L266 VanDerWaalsContact OH-CD2 3.26Å; Y207-L266 WeakPolarHBondContact OH-CD2 3.44Å; Y207-E269 WeakPolarHBondContact CE2-OE2 3.44Å
208	N	97.5	Very high	97.4	Very high	91 Å²	91	38.9 Å²	38.9	49%	0.487	21%	0.212	S	C	.	.	H	α-helix	trans	-84.9	-40.8	179.4	-64	-41.6	0	0	0	111.9	T204 D205 S206 K218	T204-N208 PolarHBondContact O-N 3.37Å; T204-N208 PolarHBondContact O-ND2 3.46Å; T204-N208 VanDerWaalsContact O-ND2 3.09Å; D205-N208 PolarHBondContact O-N 2.97Å; D205-N208 VanDerWaalsContact O-N 3.11Å; S206-N208 VanDerWaalsContact C-N 3.25Å; S206-N208 PolarHBondContact O-N 2.96Å; N208-K218 PolarHBondContact OD1-NZ 3.37Å; N208-K218 VanDerWaalsContact OD1-NZ 3.09Å
209	Q	96.7	Very high	97.4	Very high	80 Å²	80	43.6 Å²	43.6	37%	0.374	23%	0.234	S	C	.	.	H	α-helix	trans	-70.7	-39.1	-177.3	-172.8	-179.6	1.9	0	0	112.5	R13 D205	R13-Q209 PolarHBondContact NH1-O 3.21Å; R13-Q209 VanDerWaalsContact NH1-O 3.09Å; D205-Q209 VanDerWaalsContact O-CB 3.25Å; D205-Q209 WeakPolarHBondContact O-CB 3.41Å; D205-Q209 PolarHBondContact O-N 2.82Å
210	F	97.2	Very high	97.4	Very high	1 Å²	1	42.9 Å²	42.9	0%	0.004	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.2	24.9	-176.1	-48.8	-58.6	0	0	0	112.6	I14 S206 T212 Y214 E262 A263 V265	I14-F210 HydrophobicContact CD1-CE1 4.33Å; I14-F210 HydrophobicContact CD1-CZ 4.39Å; I14-F210 HydrophobicContact CG1-CE1 3.73Å; I14-F210 HydrophobicContact CG1-CZ 4.23Å; S206-F210 WeakPolarHBondContact O-CD2 3.42Å; S206-F210 PolarHBondContact O-N 2.96Å; F210-T212 PolarHBondContact O-N 2.63Å; F210-Y214 HydrophobicContact CB-CD2 3.88Å; F210-Y214 HydrophobicContact CB-CG 4.44Å; F210-Y214 AromaticContact CD1-CD2 3.69Å; F210-Y214 HydrophobicContact CD1-CD2 3.69Å; F210-Y214 AromaticContact CD1-CE2 3.62Å; F210-Y214 HydrophobicContact CD1-CE2 3.62Å; F210-Y214 HydrophobicContact CD1-CG 4.27Å; F210-Y214 HydrophobicContact CE1-CE2 4.4Å; F210-Y214 HydrophobicContact CG-CD2 4.24Å; F210-E262 WeakPolarHBondContact CE2-O 3.29Å; F210-E262 WeakPolarHBondContact CZ-O 3.37Å; F210-A263 HydrophobicContact CD1-CB 4.07Å; F210-A263 HydrophobicContact CE1-CB 3.99Å; F210-A263 HydrophobicContact CZ-CB 4.36Å; F210-V265 HydrophobicContact CB-CG1 4.15Å; F210-V265 VanDerWaalsContact O-CG1 3.22Å; F210-V265 WeakPolarHBondContact O-CG1 3.14Å
211	A	96.5	Very high	97.4	Very high	26 Å²	26	40.2 Å²	40.2	22%	0.215	22%	0.218	C	C	.	.	S	Bend	trans	-55.5	-29.4	-174.8	0	0	0	0	0	114	Y207 A217 K218	Y207-A211 WeakPolarHBondContact O-CA 3.41Å; Y207-A211 VanDerWaalsContact O-CB 3.27Å; Y207-A211 WeakPolarHBondContact O-CB 3.31Å; A211-A217 WeakPolarHBondContact O-CA 3.27Å; A211-A217 WeakPolarHBondContact O-CB 3.11Å; A211-K218 HydrophobicContact CB-CB 4.07Å; A211-K218 HydrophobicContact CB-CD 4.42Å; A211-K218 PolarHBondContact O-N 3.27Å
212	T	95.4	Very high	97.5	Very high	72 Å²	72	41.7 Å²	41.7	44%	0.442	22%	0.218	S	C	.	.	S	Bend	trans	-137.3	169.3	-179.3	57.5	0	0	0	0	110.5	F210 Y214	F210-T212 PolarHBondContact O-N 2.63Å; T212-Y214 WeakPolarHBondContact O-CD2 3.42Å; T212-Y214 PolarHBondContact O-N 3.06Å
213	D	94.2	Very high	97.5	Very high	48 Å²	48	42.7 Å²	42.7	26%	0.257	22%	0.221	S	C	.	.	S	Bend	trans	74	-26.2	170.4	-37.1	-55.6	0	0	0	115.8	M10 R13 S24 F215	M10-D213 HydrophobicContact CG-CB 3.4Å; M10-D213 VanDerWaalsContact CG-CB 3.4Å; M10-D213 HydrophobicContact SD-CB 3.68Å; R13-D213 IonicContact CZ-OD2 3.8Å; R13-D213 IonicContact NH1-OD2 3.94Å; R13-D213 IonicContact NH2-OD2 2.78Å; R13-D213 PolarHBondContact NH2-OD2 3.34Å; S24-D213 WeakPolarHBondContact CB-O 3.32Å; D213-F215 PolarHBondContact O-N 3.26Å
214	Y	95.7	Very high	97.5	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.008	20%	0.197	C	C	.	.	S	Bend	trans	-96.6	42.6	-178.1	-60.2	-82.6	0	0	0	114.2	M10 R13 L16 F210 T212 L216 A263 I293	M10-Y214 PolarHBondContact O-OH 3.41Å; R13-Y214 WeakPolarHBondContact CB-OH 3.37Å; L16-Y214 HydrophobicContact CD1-CD1 3.95Å; L16-Y214 HydrophobicContact CD1-CE1 3.98Å; L16-Y214 HydrophobicContact CD2-CD1 4.4Å; L16-Y214 HydrophobicContact CD2-CE1 4.37Å; L16-Y214 HydrophobicContact CG-CE1 4.31Å; F210-Y214 HydrophobicContact CB-CD2 3.88Å; F210-Y214 HydrophobicContact CB-CG 4.44Å; F210-Y214 AromaticContact CD1-CD2 3.69Å; F210-Y214 HydrophobicContact CD1-CD2 3.69Å; F210-Y214 AromaticContact CD1-CE2 3.62Å; F210-Y214 HydrophobicContact CD1-CE2 3.62Å; F210-Y214 HydrophobicContact CD1-CG 4.27Å; F210-Y214 HydrophobicContact CE1-CE2 4.4Å; F210-Y214 HydrophobicContact CG-CD2 4.24Å; T212-Y214 WeakPolarHBondContact O-CD2 3.42Å; T212-Y214 PolarHBondContact O-N 3.06Å; Y214-L216 VanDerWaalsContact C-N 3.32Å; Y214-L216 PolarHBondContact O-N 2.9Å; Y214-A263 HydrophobicContact CD1-CB 3.6Å; Y214-A263 HydrophobicContact CE1-CB 3.94Å; Y214-A263 HydrophobicContact CG-CB 4.1Å; Y214-I293 HydrophobicContact CD1-CG2 4.03Å
215	F	95.8	Very high	97.5	Very high	42 Å²	42	36.9 Å²	36.9	18%	0.184	19%	0.188	C	C	.	.	S	Bend	trans	64.6	-70.5	-178	174.1	-118	0	0	0	115.2	F23 N27 D213 A217 I293 D295	F23-F215 HydrophobicContact CD1-CB 4.27Å; F23-F215 HydrophobicContact CD1-CD1 4.39Å; F23-F215 HydrophobicContact CD1-CD2 4.15Å; F23-F215 HydrophobicContact CD1-CG 4.03Å; F23-F215 HydrophobicContact CE1-CB 4.27Å; F23-F215 AromaticContact CE1-CD1 3.75Å; F23-F215 HydrophobicContact CE1-CD1 3.75Å; F23-F215 AromaticContact CE1-CD2 3.42Å; F23-F215 HydrophobicContact CE1-CD2 3.42Å; F23-F215 VanDerWaalsContact CE1-CD2 3.42Å; F23-F215 AromaticContact CE1-CE1 3.81Å; F23-F215 HydrophobicContact CE1-CE1 3.81Å; F23-F215 AromaticContact CE1-CE2 3.49Å; F23-F215 HydrophobicContact CE1-CE2 3.49Å; F23-F215 VanDerWaalsContact CE1-CE2 3.49Å; F23-F215 AromaticContact CE1-CG 3.55Å; F23-F215 HydrophobicContact CE1-CG 3.55Å; F23-F215 AromaticContact CE1-CZ 3.68Å; F23-F215 HydrophobicContact CE1-CZ 3.68Å; F23-F215 HydrophobicContact CZ-CD2 4.19Å; F23-F215 HydrophobicContact CZ-CE1 4.5Å; F23-F215 AromaticContact CZ-CE2 3.85Å; F23-F215 HydrophobicContact CZ-CE2 3.85Å; F23-F215 HydrophobicContact CZ-CZ 4.02Å; N27-F215 HydrophobicContact CB-CD2 4.04Å; D213-F215 PolarHBondContact O-N 3.26Å; F215-A217 PolarHBondContact O-N 2.95Å; F215-I293 HydrophobicContact CB-CD1 3.96Å; F215-D295 HydrophobicContact CE1-CB 4.09Å; F215-D295 WeakPolarHBondContact CE1-OD2 3.39Å
216	L	98.1	Very high	97.5	Very high	14 Å²	14	36.4 Å²	36.4	7%	0.073	19%	0.186	C	C	.	.	S	Bend	trans	-76.8	99.3	177.5	-177.5	66.9	0	0	0	110.1	Y214 M221 F224 V265 L266 H294	Y214-L216 VanDerWaalsContact C-N 3.32Å; Y214-L216 PolarHBondContact O-N 2.9Å; L216-M221 HydrophobicContact CD1-CG 4.05Å; L216-M221 HydrophobicContact CD1-SD 3.83Å; L216-M221 HydrophobicContact CD2-CG 4Å; L216-M221 HydrophobicContact CD2-SD 3.79Å; L216-M221 HydrophobicContact CG-CG 4.09Å; L216-M221 HydrophobicContact CG-SD 4.22Å; L216-F224 HydrophobicContact CD1-CE2 4.08Å; L216-V265 HydrophobicContact CB-CG2 4.44Å; L216-V265 HydrophobicContact CD2-CG2 3.48Å; L216-V265 VanDerWaalsContact CD2-CG2 3.48Å; L216-V265 HydrophobicContact CG-CG2 3.76Å; L216-L266 HydrophobicContact CD2-CD1 4.08Å; L216-L266 HydrophobicContact CD2-CD2 4.41Å; L216-L266 HydrophobicContact CD2-CG 3.89Å; L216-H294 HydrophobicContact CB-CB 3.56Å; L216-H294 HydrophobicContact CD2-CB 4.07Å; L216-H294 VanDerWaalsContact CD2-CD2 3.46Å; L216-H294 WeakPolarHBondContact CD2-CD2 3.39Å; L216-H294 VanDerWaalsContact CD2-CG 3.44Å; L216-H294 HydrophobicContact CG-CB 4.44Å
217	A	97.4	Very high	97.5	Very high	11 Å²	11	38.4 Å²	38.4	9%	0.091	20%	0.195	C	C	.	.			trans	-81.5	150.6	178.9	0	0	0	0	0	112.6	Y34 A211 F215 E219 G220 M221	Y34-A217 HydrophobicContact CE1-CB 3.89Å; A211-A217 WeakPolarHBondContact O-CA 3.27Å; A211-A217 WeakPolarHBondContact O-CB 3.11Å; F215-A217 PolarHBondContact O-N 2.95Å; A217-E219 VanDerWaalsContact C-N 3.28Å; A217-E219 PolarHBondContact O-N 3.18Å; A217-G220 WeakPolarHBondContact O-CA 3.45Å; A217-G220 PolarHBondContact O-N 2.86Å; A217-M221 PolarHBondContact O-N 3.32Å
218	K	98.4	Very high	97.5	Very high	39 Å²	39	38.4 Å²	38.4	17%	0.17	20%	0.195	C	C	.	.	H	α-helix	trans	-56.1	-41.3	172.5	175.3	168.4	176.3	159.3	0	112.4	F202 Y207 N208 A211 G220 M221 K222	F202-K218 HydrophobicContact CB-CG 4.48Å; F202-K218 WeakPolarHBondContact O-CE 3.13Å; F202-K218 PolarHBondContact O-NZ 3.31Å; Y207-K218 HydrophobicContact CD1-CB 4.1Å; Y207-K218 HydrophobicContact CD1-CD 4.24Å; Y207-K218 HydrophobicContact CD1-CG 3.91Å; N208-K218 PolarHBondContact OD1-NZ 3.37Å; N208-K218 VanDerWaalsContact OD1-NZ 3.09Å; A211-K218 HydrophobicContact CB-CB 4.07Å; A211-K218 HydrophobicContact CB-CD 4.42Å; A211-K218 PolarHBondContact O-N 3.27Å; K218-G220 VanDerWaalsContact C-N 3.32Å; K218-M221 PolarHBondContact O-N 3.32Å; K218-K222 PolarHBondContact O-N 3.21Å; K218-K222 VanDerWaalsContact O-N 3.14Å
219	E	98.2	Very high	97.6	Very high	99 Å²	99	34.9 Å²	34.9	46%	0.463	18%	0.176	S	C	.	.	H	α-helix	trans	-68.9	-31.6	175.6	-64.5	-54.2	125.9	0	0	112.3	Y34 A217 K222 W223	Y34-E219 HydrophobicContact CE2-CB 4.05Å; A217-E219 VanDerWaalsContact C-N 3.28Å; A217-E219 PolarHBondContact O-N 3.18Å; E219-K222 PolarHBondContact O-N 2.94Å; E219-K222 IonicContact OE1-NZ 3.53Å; E219-K222 PolarHBondContact OE1-NZ 2.9Å; E219-K222 IonicContact OE2-NZ 3.61Å; E219-W223 PolarHBondContact O-N 2.77Å
220	G	98.3	Very high	97.7	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.01	17%	0.171	C	C	.	.	H	α-helix	trans	-62.8	-43.5	171.2	0	0	0	0	0	112	Y34 A217 K218 K222 W223 F224	Y34-G220 VanDerWaalsContact CD1-CA 3.47Å; A217-G220 WeakPolarHBondContact O-CA 3.45Å; A217-G220 PolarHBondContact O-N 2.86Å; K218-G220 VanDerWaalsContact C-N 3.32Å; G220-K222 PolarHBondContact O-N 2.64Å; G220-W223 WeakPolarHBondContact O-CB 3.26Å; G220-W223 PolarHBondContact O-N 3.23Å; G220-W223 VanDerWaalsContact O-N 3.17Å; G220-F224 WeakPolarHBondContact O-CD2 3.31Å; G220-F224 WeakPolarHBondContact O-CG 3.26Å; G220-F224 PolarHBondContact O-N 2.88Å
221	M	98.8	Very high	97.6	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.005	22%	0.216	C	C	.	.	H	α-helix	trans	-60.7	-44.7	174	-76.5	-55	-54.7	0	0	112.5	V197 F202 Y207 L216 A217 K218 W223 F224 W225 V265 L266	V197-M221 HydrophobicContact CG1-CE 4.09Å; V197-M221 HydrophobicContact CG2-CE 3.63Å; V197-M221 HydrophobicContact CG2-SD 4.47Å; F202-M221 HydrophobicContact CD1-CB 4.15Å; F202-M221 HydrophobicContact CE1-CB 3.87Å; Y207-M221 HydrophobicContact CE1-CB 4.03Å; Y207-M221 HydrophobicContact CE1-CG 4.05Å; L216-M221 HydrophobicContact CD1-CG 4.05Å; L216-M221 HydrophobicContact CD1-SD 3.83Å; L216-M221 HydrophobicContact CD2-CG 4Å; L216-M221 HydrophobicContact CD2-SD 3.79Å; L216-M221 HydrophobicContact CG-CG 4.09Å; L216-M221 HydrophobicContact CG-SD 4.22Å; A217-M221 PolarHBondContact O-N 3.32Å; K218-M221 PolarHBondContact O-N 3.32Å; M221-W223 VanDerWaalsContact C-N 3.28Å; M221-W223 PolarHBondContact O-N 3.16Å; M221-F224 PolarHBondContact O-N 3.49Å; M221-F224 HydrophobicContact SD-CD2 4.11Å; M221-W225 PolarHBondContact O-N 3.02Å; M221-V265 HydrophobicContact CG-CG2 4.07Å; M221-L266 HydrophobicContact CE-CD2 4.01Å; M221-L266 HydrophobicContact CG-CD2 4.29Å; M221-L266 HydrophobicContact SD-CD2 4.13Å
222	K	98.6	Very high	97.6	Very high	65 Å²	65	45.3 Å²	45.3	28%	0.283	25%	0.246	S	C	.	.	H	α-helix	trans	-58.7	-40.9	174.1	-69.3	174.7	-178.9	171	0	112	F202 K218 E219 G220 W225 N226	F202-K222 HydrophobicContact CD1-CG 4.1Å; F202-K222 HydrophobicContact CD2-CG 4.26Å; F202-K222 HydrophobicContact CE1-CG 3.93Å; F202-K222 HydrophobicContact CE2-CG 4.11Å; F202-K222 HydrophobicContact CG-CG 4.24Å; F202-K222 HydrophobicContact CZ-CB 4.49Å; F202-K222 HydrophobicContact CZ-CG 3.93Å; K218-K222 PolarHBondContact O-N 3.21Å; K218-K222 VanDerWaalsContact O-N 3.14Å; E219-K222 PolarHBondContact O-N 2.94Å; E219-K222 IonicContact OE1-NZ 3.53Å; E219-K222 PolarHBondContact OE1-NZ 2.9Å; E219-K222 IonicContact OE2-NZ 3.61Å; G220-K222 PolarHBondContact O-N 2.64Å; K222-W225 PolarHBondContact O-N 3.14Å; K222-N226 WeakPolarHBondContact O-CB 3.45Å; K222-N226 PolarHBondContact O-N 3.22Å; K222-N226 PolarHBondContact O-ND2 3.36Å
223	W	98.5	Very high	97.8	Very high	46 Å²	46	44.9 Å²	44.9	17%	0.174	24%	0.239	C	C	.	.	H	α-helix	trans	-61.7	-46.4	176.9	-177.3	96.5	0	0	0	112.1	Y34 I38 V99 L100 E219 G220 M221 W225 N226 H227	Y34-W223 PolarHBondContact O-NE1 3.32Å; I38-W223 HydrophobicContact CG1-CH2 4.28Å; I38-W223 HydrophobicContact CG1-CZ2 4.15Å; V99-W223 HydrophobicContact CB-CH2 4.31Å; V99-W223 HydrophobicContact CB-CZ3 4.01Å; V99-W223 HydrophobicContact CG1-CH2 3.61Å; V99-W223 HydrophobicContact CG1-CZ3 3.83Å; V99-W223 HydrophobicContact CG2-CH2 4.49Å; V99-W223 HydrophobicContact CG2-CZ3 4.05Å; L100-W223 HydrophobicContact CD2-CH2 4.41Å; E219-W223 PolarHBondContact O-N 2.77Å; G220-W223 WeakPolarHBondContact O-CB 3.26Å; G220-W223 PolarHBondContact O-N 3.23Å; G220-W223 VanDerWaalsContact O-N 3.17Å; M221-W223 VanDerWaalsContact C-N 3.28Å; M221-W223 PolarHBondContact O-N 3.16Å; W223-W225 PolarHBondContact O-N 3.27Å; W223-N226 PolarHBondContact O-N 2.77Å; W223-H227 AromaticContact CD1-NE2 3.98Å; W223-H227 AromaticContact CD2-CD2 3.46Å; W223-H227 VanDerWaalsContact CD2-CD2 3.46Å; W223-H227 AromaticContact CD2-NE2 3.74Å; W223-H227 AromaticContact CE2-CD2 3.29Å; W223-H227 AromaticContact CE2-NE2 3.08Å; W223-H227 AromaticContact CE3-CD2 3.74Å; W223-H227 AromaticContact CH2-CD2 3.73Å; W223-H227 AromaticContact CH2-NE2 3.93Å; W223-H227 AromaticContact CZ2-CD2 3.46Å; W223-H227 VanDerWaalsContact CZ2-CD2 3.46Å; W223-H227 WeakPolarHBondContact CZ2-CD2 3.48Å; W223-H227 AromaticContact CZ2-NE2 3.21Å; W223-H227 WeakPolarHBondContact CZ2-NE2 3.42Å; W223-H227 AromaticContact CZ3-CD2 3.84Å; W223-H227 AromaticContact NE1-CD2 3.81Å; W223-H227 AromaticContact NE1-NE2 3.26Å; W223-H227 PolarHBondContact NE1-NE2 3.47Å; W223-H227 PolarHBondContact O-CD2 3.16Å; W223-H227 PolarHBondContact O-N 3.29Å; W223-H227 VanDerWaalsContact O-N 3.17Å
224	F	98.7	Very high	97.9	Very high	15 Å²	15	46.5 Å²	46.5	7%	0.066	25%	0.248	C	C	.	.	H	α-helix	trans	-59.6	-47.5	176.2	-68.9	-52.2	0	0	0	112	G97 W98 V99 L100 L216 G220 M221 N226 H227 Y228	G97-F224 WeakPolarHBondContact O-CD1 3.43Å; W98-F224 HydrophobicContact CE3-CB 4.19Å; W98-F224 HydrophobicContact CZ3-CB 4.25Å; V99-F224 HydrophobicContact CB-CD1 4.38Å; V99-F224 HydrophobicContact CG2-CD1 4.27Å; L100-F224 HydrophobicContact CD1-CE1 3.75Å; L100-F224 HydrophobicContact CD1-CZ 3.95Å; L100-F224 HydrophobicContact CG-CE1 4.06Å; L216-F224 HydrophobicContact CD1-CE2 4.08Å; G220-F224 WeakPolarHBondContact O-CD2 3.31Å; G220-F224 WeakPolarHBondContact O-CG 3.26Å; G220-F224 PolarHBondContact O-N 2.88Å; M221-F224 PolarHBondContact O-N 3.49Å; M221-F224 HydrophobicContact SD-CD2 4.11Å; F224-N226 PolarHBondContact O-N 3.05Å; F224-H227 PolarHBondContact O-N 3.43Å; F224-Y228 WeakPolarHBondContact O-CB 3.31Å; F224-Y228 PolarHBondContact O-N 3.27Å
225	W	98.7	Very high	98	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-61.8	-39.9	178.1	-81.3	112.7	0	0	0	113.4	W98 V197 H200 F202 M221 K222 W223 H227 Y228 L229 I240	W98-W225 AromaticContact CH2-CD2 3.94Å; W98-W225 HydrophobicContact CH2-CD2 3.94Å; W98-W225 AromaticContact CH2-CE2 3.78Å; W98-W225 AromaticContact CH2-CE3 3.99Å; W98-W225 HydrophobicContact CH2-CE3 3.99Å; W98-W225 AromaticContact CH2-CH2 3.73Å; W98-W225 HydrophobicContact CH2-CH2 3.73Å; W98-W225 AromaticContact CH2-CZ2 3.74Å; W98-W225 HydrophobicContact CH2-CZ2 3.74Å; W98-W225 AromaticContact CH2-CZ3 3.83Å; W98-W225 HydrophobicContact CH2-CZ3 3.83Å; W98-W225 HydrophobicContact CZ2-CH2 4.15Å; W98-W225 HydrophobicContact CZ2-CZ3 4.24Å; W98-W225 AromaticContact CZ3-CD2 3.99Å; W98-W225 HydrophobicContact CZ3-CD2 3.99Å; W98-W225 HydrophobicContact CZ3-CE3 4.18Å; W98-W225 HydrophobicContact CZ3-CG 4.37Å; W98-W225 HydrophobicContact CZ3-CZ3 4.46Å; V197-W225 HydrophobicContact CG1-CH2 4.4Å; V197-W225 HydrophobicContact CG1-CZ2 3.49Å; V197-W225 VanDerWaalsContact CG1-CZ2 3.49Å; H200-W225 HydrophobicContact CB-CD2 4.31Å; H200-W225 HydrophobicContact CB-CE3 4.49Å; H200-W225 HydrophobicContact CB-CH2 4.19Å; H200-W225 HydrophobicContact CB-CZ2 3.92Å; H200-W225 HydrophobicContact CB-CZ3 4.48Å; H200-W225 AromaticContact CD2-CD1 3.7Å; H200-W225 AromaticContact CD2-CD2 3.31Å; H200-W225 AromaticContact CD2-CE2 3.7Å; H200-W225 AromaticContact CD2-CE3 3.8Å; H200-W225 AromaticContact CD2-CG 3.27Å; H200-W225 AromaticContact CD2-NE1 3.89Å; H200-W225 AromaticContact NE2-CG 3.87Å; F202-W225 AromaticContact CE1-CD1 3.37Å; F202-W225 HydrophobicContact CE1-CG 4.32Å; F202-W225 AromaticContact CE1-NE1 3.85Å; F202-W225 HydrophobicContact CZ-CB 4.14Å; F202-W225 AromaticContact CZ-CD1 3.34Å; F202-W225 AromaticContact CZ-CG 3.89Å; F202-W225 HydrophobicContact CZ-CG 3.89Å; F202-W225 AromaticContact CZ-NE1 3.97Å; M221-W225 PolarHBondContact O-N 3.02Å; K222-W225 PolarHBondContact O-N 3.14Å; W223-W225 PolarHBondContact O-N 3.27Å; W225-H227 VanDerWaalsContact C-N 3.34Å; W225-H227 PolarHBondContact O-N 3.18Å; W225-Y228 AromaticContact CE3-CD1 3.81Å; W225-Y228 HydrophobicContact CE3-CD1 3.81Å; W225-Y228 HydrophobicContact CE3-CE1 4.49Å; W225-Y228 AromaticContact CZ3-CD1 3.67Å; W225-Y228 HydrophobicContact CZ3-CD1 3.67Å; W225-Y228 AromaticContact CZ3-CE1 3.89Å; W225-Y228 HydrophobicContact CZ3-CE1 3.89Å; W225-Y228 PolarHBondContact O-N 3.15Å; W225-L229 HydrophobicContact CE3-CD1 3.71Å; W225-L229 HydrophobicContact CE3-CD2 4.25Å; W225-L229 HydrophobicContact CE3-CG 3.84Å; W225-L229 HydrophobicContact CZ3-CD1 4.15Å; W225-L229 HydrophobicContact CZ3-CD2 4.16Å; W225-L229 HydrophobicContact CZ3-CG 4.25Å; W225-L229 PolarHBondContact O-N 3.13Å; W225-I240 HydrophobicContact CH2-CG2 3.75Å; W225-I240 WeakPolarHBondContact CH2-O 3.25Å; W225-I240 HydrophobicContact CZ3-CG2 3.53Å
226	N	98.1	Very high	98.1	Very high	112 Å²	112	49.2 Å²	49.2	60%	0.599	27%	0.27	S	S	*	.	H	α-helix	trans	-65.9	-34.3	178.1	-73.9	-24.3	0	0	0	113	K133 K222 W223 F224	K133-N226 PolarHBondContact NZ-O 2.88Å; K222-N226 WeakPolarHBondContact O-CB 3.45Å; K222-N226 PolarHBondContact O-N 3.22Å; K222-N226 PolarHBondContact O-ND2 3.36Å; W223-N226 PolarHBondContact O-N 2.77Å; F224-N226 PolarHBondContact O-N 3.05Å
227	H	98.5	Very high	98.1	Very high	42 Å²	42	51.1 Å²	51.1	19%	0.194	28%	0.28	C	S	.	.	H	α-helix	trans	-73.7	-37.5	173.2	-77.4	-57.4	0	0	0	112	V99 P130 K133 W223 F224 W225	V99-H227 HydrophobicContact CG2-CB 3.76Å; P130-H227 HydrophobicContact CB-CB 4.11Å; P130-H227 WeakPolarHBondContact CB-ND1 3.5Å; K133-H227 VanDerWaalsContact CE-O 3.26Å; K133-H227 WeakPolarHBondContact CE-O 3.44Å; W223-H227 AromaticContact CD1-NE2 3.98Å; W223-H227 AromaticContact CD2-CD2 3.46Å; W223-H227 VanDerWaalsContact CD2-CD2 3.46Å; W223-H227 AromaticContact CD2-NE2 3.74Å; W223-H227 AromaticContact CE2-CD2 3.29Å; W223-H227 AromaticContact CE2-NE2 3.08Å; W223-H227 AromaticContact CE3-CD2 3.74Å; W223-H227 AromaticContact CH2-CD2 3.73Å; W223-H227 AromaticContact CH2-NE2 3.93Å; W223-H227 AromaticContact CZ2-CD2 3.46Å; W223-H227 VanDerWaalsContact CZ2-CD2 3.46Å; W223-H227 WeakPolarHBondContact CZ2-CD2 3.48Å; W223-H227 AromaticContact CZ2-NE2 3.21Å; W223-H227 WeakPolarHBondContact CZ2-NE2 3.42Å; W223-H227 AromaticContact CZ3-CD2 3.84Å; W223-H227 AromaticContact NE1-CD2 3.81Å; W223-H227 AromaticContact NE1-NE2 3.26Å; W223-H227 PolarHBondContact NE1-NE2 3.47Å; W223-H227 PolarHBondContact O-CD2 3.16Å; W223-H227 PolarHBondContact O-N 3.29Å; W223-H227 VanDerWaalsContact O-N 3.17Å; F224-H227 PolarHBondContact O-N 3.43Å; W225-H227 VanDerWaalsContact C-N 3.34Å; W225-H227 PolarHBondContact O-N 3.18Å
228	Y	98.7	Very high	98.2	Very high	0 Å²	0	52 Å²	52	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-72.6	-43.9	-176.9	178.2	-125.9	0	0	0	114	W98 S129 K133 Y134 I138 F224 W225	W98-Y228 HydrophobicContact CB-CD2 3.9Å; W98-Y228 HydrophobicContact CB-CG 4.3Å; W98-Y228 AromaticContact CD1-CD2 3.66Å; W98-Y228 AromaticContact CD1-CE2 3.51Å; W98-Y228 AromaticContact CD1-CZ 3.89Å; W98-Y228 AromaticContact CD2-CD1 3.88Å; W98-Y228 HydrophobicContact CD2-CD1 3.88Å; W98-Y228 AromaticContact CD2-CD2 3.92Å; W98-Y228 HydrophobicContact CD2-CD2 3.92Å; W98-Y228 HydrophobicContact CD2-CE1 4.28Å; W98-Y228 HydrophobicContact CD2-CE2 4.33Å; W98-Y228 AromaticContact CD2-CG 3.67Å; W98-Y228 HydrophobicContact CD2-CG 3.67Å; W98-Y228 AromaticContact CE2-CD1 3.78Å; W98-Y228 AromaticContact CE2-CE1 3.74Å; W98-Y228 AromaticContact CE2-CZ 3.94Å; W98-Y228 HydrophobicContact CE3-CD1 4.13Å; W98-Y228 AromaticContact CE3-CG 3.98Å; W98-Y228 HydrophobicContact CE3-CG 3.98Å; W98-Y228 HydrophobicContact CG-CD1 4.4Å; W98-Y228 AromaticContact CG-CD2 3.56Å; W98-Y228 HydrophobicContact CG-CD2 3.56Å; W98-Y228 AromaticContact CG-CE2 3.92Å; W98-Y228 HydrophobicContact CG-CE2 3.92Å; W98-Y228 AromaticContact CG-CG 3.82Å; W98-Y228 HydrophobicContact CG-CG 3.82Å; W98-Y228 HydrophobicContact CH2-CD1 4.29Å; W98-Y228 HydrophobicContact CZ2-CD1 4.02Å; W98-Y228 AromaticContact CZ2-CE1 3.93Å; W98-Y228 HydrophobicContact CZ2-CE1 3.93Å; W98-Y228 HydrophobicContact CZ3-CD1 4.34Å; W98-Y228 AromaticContact NE1-CE1 3.85Å; W98-Y228 AromaticContact NE1-CE2 3.68Å; W98-Y228 AromaticContact NE1-CZ 3.54Å; S129-Y228 WeakPolarHBondContact OG-CA 3.33Å; K133-Y228 CarbonylContact C-O 3.59Å; K133-Y228 WeakPolarHBondContact CA-O 3.47Å; K133-Y228 WeakPolarHBondContact CB-O 3.2Å; Y134-Y228 HydrophobicContact CD2-CE1 4.3Å; Y134-Y228 AromaticContact CD2-CZ 3.92Å; Y134-Y228 WeakPolarHBondContact CD2-OH 3.42Å; Y134-Y228 PolarHBondContact N-O 2.78Å; I138-Y228 WeakPolarHBondContact CD1-OH 3.42Å; F224-Y228 WeakPolarHBondContact O-CB 3.31Å; F224-Y228 PolarHBondContact O-N 3.27Å; W225-Y228 AromaticContact CE3-CD1 3.81Å; W225-Y228 HydrophobicContact CE3-CD1 3.81Å; W225-Y228 HydrophobicContact CE3-CE1 4.49Å; W225-Y228 AromaticContact CZ3-CD1 3.67Å; W225-Y228 HydrophobicContact CZ3-CD1 3.67Å; W225-Y228 AromaticContact CZ3-CE1 3.89Å; W225-Y228 HydrophobicContact CZ3-CE1 3.89Å; W225-Y228 PolarHBondContact O-N 3.15Å
229	L	98.7	Very high	98.2	Very high	16 Å²	16	51.1 Å²	51.1	8%	0.084	28%	0.279	C	S	.	.	S	Bend	trans	-88.1	138.4	-172.7	-62.6	-179.5	0	0	0	112.5	K133 Y134 W225 Q233 A235 I240	K133-L229 PolarHBondContact NZ-O 3.26Å; Y134-L229 HydrophobicContact CG-CD2 4.36Å; W225-L229 HydrophobicContact CE3-CD1 3.71Å; W225-L229 HydrophobicContact CE3-CD2 4.25Å; W225-L229 HydrophobicContact CE3-CG 3.84Å; W225-L229 HydrophobicContact CZ3-CD1 4.15Å; W225-L229 HydrophobicContact CZ3-CD2 4.16Å; W225-L229 HydrophobicContact CZ3-CG 4.25Å; W225-L229 PolarHBondContact O-N 3.13Å; L229-Q233 HydrophobicContact CB-CB 4.42Å; L229-Q233 HydrophobicContact CD2-CG 4.15Å; L229-A235 HydrophobicContact CD1-CB 3.94Å; L229-I240 HydrophobicContact CD1-CG2 4.41Å; L229-I240 HydrophobicContact CD2-CD1 3.71Å; L229-I240 HydrophobicContact CD2-CG1 4.07Å; L229-I240 HydrophobicContact CD2-CG2 4.11Å
230	P	98.2	Very high	98.2	Very high	43 Å²	43	46.4 Å²	46.4	28%	0.279	26%	0.257	S	S	.	.	P	Polyproline II helix	trans	-59.4	149.8	161.6	-21.8	32.9	0	0	0	111.2	K133 Y134 G232 Q233	K133-P230 HydrophobicContact CB-CG 4.09Å; Y134-P230 WeakPolarHBondContact O-CG 3.11Å; P230-G232 PolarHBondContact O-N 2.95Å; P230-Q233 HydrophobicContact CB-CB 4.36Å; P230-Q233 WeakPolarHBondContact O-CB 3.32Å; P230-Q233 PolarHBondContact O-N 3.08Å; P230-Q233 VanDerWaalsContact O-N 3.16Å
231	E	96.8	Very high	98.2	Very high	200 Å²	200	46.4 Å²	46.4	94%	0.935	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	133.4	175.4	-173.2	177.6	-178	0	0	110.8	Q233	E231-Q233 PolarHBondContact O-N 3.2Å
232	G	96.5	Very high	98.2	Very high	83 Å²	83	46.4 Å²	46.4	86%	0.856	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.8	3.3	-179.1	0	0	0	0	0	115.1	P230 D234	P230-G232 PolarHBondContact O-N 2.95Å; G232-D234 PolarHBondContact O-N 3.48Å
233	Q	97.9	Very high	98.2	Very high	64 Å²	64	44 Å²	44	30%	0.299	25%	0.247	S	C	.	.			trans	-59.6	126.6	173.3	177	59.1	61.5	0	0	110.3	Y134 L229 P230 E231 A235 I240	Y134-Q233 HydrophobicContact CD1-CG 4.17Å; L229-Q233 HydrophobicContact CB-CB 4.42Å; L229-Q233 HydrophobicContact CD2-CG 4.15Å; P230-Q233 HydrophobicContact CB-CB 4.36Å; P230-Q233 WeakPolarHBondContact O-CB 3.32Å; P230-Q233 PolarHBondContact O-N 3.08Å; P230-Q233 VanDerWaalsContact O-N 3.16Å; E231-Q233 PolarHBondContact O-N 3.2Å; Q233-A235 PolarHBondContact O-N 3.23Å; Q233-A235 VanDerWaalsContact O-N 3.11Å; Q233-I240 HydrophobicContact CG-CD1 3.38Å
234	D	98	Very high	98.2	Very high	81 Å²	81	46.5 Å²	46.5	43%	0.433	26%	0.261	S	S	.	.			trans	-65.3	111.4	170	178.5	6.3	0	0	0	109	G232 T236 I237 I240	G232-D234 PolarHBondContact O-N 3.48Å; D234-T236 VanDerWaalsContact C-N 3.33Å; D234-T236 WeakPolarHBondContact OD1-CB 3.25Å; D234-T236 PolarHBondContact OD1-N 3.42Å; D234-T236 PolarHBondContact OD1-OG1 3.42Å; D234-T236 PolarHBondContact OD2-OG1 2.89Å; D234-I237 HydrophobicContact CB-CG2 4.39Å; D234-I240 WeakPolarHBondContact O-CD1 3.42Å
235	A	97.9	Very high	98.2	Very high	13 Å²	13	46.2 Å²	46.2	11%	0.107	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-2.8	-178.2	0	0	0	0	0	113.5	H200 L229 Q233 I240 S241	H200-A235 HydrophobicContact CB-CB 3.84Å; H200-A235 WeakPolarHBondContact ND1-CB 3.44Å; L229-A235 HydrophobicContact CD1-CB 3.94Å; Q233-A235 PolarHBondContact O-N 3.23Å; Q233-A235 VanDerWaalsContact O-N 3.11Å; A235-I240 HydrophobicContact CB-CG2 4.01Å; A235-I240 WeakPolarHBondContact O-CG2 3.37Å; A235-S241 WeakPolarHBondContact O-CB 3.19Å; A235-S241 PolarHBondContact O-OG 3.22Å
236	T	97.6	Very high	98.2	Very high	89 Å²	89	48.2 Å²	48.2	55%	0.546	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-9.6	-179.4	69.3	0	0	0	0	113.2	D234 Q244	D234-T236 VanDerWaalsContact C-N 3.33Å; D234-T236 WeakPolarHBondContact OD1-CB 3.25Å; D234-T236 PolarHBondContact OD1-N 3.42Å; D234-T236 PolarHBondContact OD1-OG1 3.42Å; D234-T236 PolarHBondContact OD2-OG1 2.89Å; T236-Q244 WeakPolarHBondContact O-CB 3.28Å
237	I	98.4	Very high	98.2	Very high	54 Å²	54	48.8 Å²	48.8	28%	0.277	27%	0.272	S	S	.	.	S	Bend	trans	-69.4	144.4	177.6	68	179.4	0	0	0	111.3	Y134 D234 T239 I240 S241	Y134-I237 HydrophobicContact CE1-CD1 4.38Å; D234-I237 HydrophobicContact CB-CG2 4.39Å; I237-T239 WeakPolarHBondContact CD1-OG1 3.46Å; I237-T239 PolarHBondContact O-N 2.96Å; I237-I240 HydrophobicContact CD1-CD1 3.87Å; I237-I240 HydrophobicContact CD1-CG1 4.27Å; I237-I240 HydrophobicContact CG1-CB 4.08Å; I237-I240 HydrophobicContact CG1-CD1 3.88Å; I237-I240 HydrophobicContact CG1-CG1 4.03Å; I237-I240 PolarHBondContact O-N 3.28Å; I237-S241 PolarHBondContact O-N 3.01Å
238	K	98.3	Very high	98.2	Very high	28 Å²	28	53.4 Å²	53.4	12%	0.122	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-26.1	-175.4	70.9	-178.7	176.8	-170.7	0	115.7	M178 D182 I240 P242 A245 E249	M178-K238 HydrophobicContact SD-CB 4.06Å; M178-K238 HydrophobicContact SD-CD 3.93Å; M178-K238 HydrophobicContact SD-CG 4.11Å; D182-K238 IonicContact OD1-NZ 3.67Å; D182-K238 WeakPolarHBondContact OD2-CE 3.48Å; D182-K238 IonicContact OD2-NZ 2.66Å; D182-K238 PolarHBondContact OD2-NZ 2.67Å; K238-I240 PolarHBondContact O-N 2.67Å; K238-P242 VanDerWaalsContact O-CA 3.31Å; K238-P242 WeakPolarHBondContact O-CA 3.48Å; K238-A245 HydrophobicContact CB-CB 3.84Å; K238-E249 HydrophobicContact CD-CB 4.22Å; K238-E249 HydrophobicContact CD-CG 4.31Å; K238-E249 VanDerWaalsContact CD-OE1 3.25Å; K238-E249 WeakPolarHBondContact CD-OE1 3.38Å; K238-E249 VanDerWaalsContact CE-OE1 3.28Å; K238-E249 WeakPolarHBondContact CE-OE1 3.38Å; K238-E249 IonicContact NZ-OE1 3.71Å; K238-E249 PolarHBondContact NZ-OE1 3.01Å
239	T	98.5	Very high	98.2	Very high	22 Å²	22	56.5 Å²	56.5	14%	0.135	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-3.3	178.4	52.6	0	0	0	0	113.2	Y134 I138 V175 L179 I237	Y134-T239 WeakPolarHBondContact CE2-O 3.39Å; Y134-T239 PolarHBondContact OH-OG1 3.02Å; I138-T239 WeakPolarHBondContact CD1-O 3.32Å; V175-T239 HydrophobicContact CG1-CG2 3.88Å; L179-T239 HydrophobicContact CD2-CG2 4.06Å; I237-T239 WeakPolarHBondContact CD1-OG1 3.46Å; I237-T239 PolarHBondContact O-N 2.96Å
240	I	98.7	Very high	98.2	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.4	-53.1	171.6	-72.7	171.5	0	0	0	108.9	Y134 N171 W225 L229 Q233 D234 A235 I237 K238 P242	Y134-I240 HydrophobicContact CD1-CD1 3.9Å; Y134-I240 HydrophobicContact CD1-CG1 4.32Å; Y134-I240 HydrophobicContact CD2-CD1 4.26Å; Y134-I240 HydrophobicContact CD2-CG1 3.77Å; Y134-I240 HydrophobicContact CE1-CD1 3.78Å; Y134-I240 HydrophobicContact CE1-CG1 4.14Å; Y134-I240 HydrophobicContact CE2-CD1 4.16Å; Y134-I240 HydrophobicContact CE2-CG1 3.57Å; Y134-I240 HydrophobicContact CG-CD1 4.15Å; Y134-I240 HydrophobicContact CG-CG1 4.15Å; N171-I240 PolarHBondContact ND2-O 3.16Å; W225-I240 HydrophobicContact CH2-CG2 3.75Å; W225-I240 WeakPolarHBondContact CH2-O 3.25Å; W225-I240 HydrophobicContact CZ3-CG2 3.53Å; L229-I240 HydrophobicContact CD1-CG2 4.41Å; L229-I240 HydrophobicContact CD2-CD1 3.71Å; L229-I240 HydrophobicContact CD2-CG1 4.07Å; L229-I240 HydrophobicContact CD2-CG2 4.11Å; Q233-I240 HydrophobicContact CG-CD1 3.38Å; D234-I240 WeakPolarHBondContact O-CD1 3.42Å; A235-I240 HydrophobicContact CB-CG2 4.01Å; A235-I240 WeakPolarHBondContact O-CG2 3.37Å; I237-I240 HydrophobicContact CD1-CD1 3.87Å; I237-I240 HydrophobicContact CD1-CG1 4.27Å; I237-I240 HydrophobicContact CG1-CB 4.08Å; I237-I240 HydrophobicContact CG1-CD1 3.88Å; I237-I240 HydrophobicContact CG1-CG1 4.03Å; I237-I240 PolarHBondContact O-N 3.28Å; K238-I240 PolarHBondContact O-N 2.67Å; I240-P242 VanDerWaalsContact C-CD 3.43Å; I240-P242 WeakPolarHBondContact O-CD 3.49Å
241	S	98.8	Very high	98.2	Very high	1 Å²	1	57.1 Å²	57.1	1%	0.007	31%	0.312	C	S	.	.			trans	-112.5	83.3	176.7	-63.2	0	0	0	0	110.6	T198 H200 A235 I237 L243 Q244	T198-S241 CarbonylContact O-C 3.59Å; T198-S241 VanDerWaalsContact O-CA 3.28Å; T198-S241 WeakPolarHBondContact O-CA 3.44Å; H200-S241 PolarHBondContact N-OG 3.33Å; A235-S241 WeakPolarHBondContact O-CB 3.19Å; A235-S241 PolarHBondContact O-OG 3.22Å; I237-S241 PolarHBondContact O-N 3.01Å; S241-L243 PolarHBondContact O-N 3.47Å; S241-Q244 WeakPolarHBondContact O-CB 3.42Å; S241-Q244 PolarHBondContact O-N 2.92Å
242	P	98.8	Very high	98.3	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-48.8	-29.2	176.4	-28.9	31.4	0	0	0	114.7	N171 T174 V175 M178 T198 K238 I240 Q244 A245 Y273	N171-P242 VanDerWaalsContact ND2-CD 3.33Å; N171-P242 WeakPolarHBondContact ND2-CD 3.4Å; T174-P242 WeakPolarHBondContact OG1-CB 3.37Å; T174-P242 WeakPolarHBondContact OG1-CG 3.32Å; V175-P242 HydrophobicContact CG2-CG 3.95Å; M178-P242 HydrophobicContact CE-CB 3.88Å; T198-P242 WeakPolarHBondContact O-CD 3.38Å; T198-P242 VanDerWaalsContact O-N 3.17Å; K238-P242 VanDerWaalsContact O-CA 3.31Å; K238-P242 WeakPolarHBondContact O-CA 3.48Å; I240-P242 VanDerWaalsContact C-CD 3.43Å; I240-P242 WeakPolarHBondContact O-CD 3.49Å; P242-Q244 PolarHBondContact O-N 2.99Å; P242-A245 VanDerWaalsContact O-CB 3.26Å; P242-A245 WeakPolarHBondContact O-CB 3.49Å; P242-A245 PolarHBondContact O-N 3Å; P242-A245 VanDerWaalsContact O-N 3.15Å; P242-Y273 HydrophobicContact CB-CD2 4.32Å; P242-Y273 HydrophobicContact CB-CE2 3.9Å
243	L	98.6	Very high	98.4	Very high	15 Å²	15	47.4 Å²	47.4	8%	0.079	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-61.6	-26.6	176.5	-171.6	59.6	0	0	0	113.2	T198 N199 S241 A245 E269 E272 H276	T198-L243 VanDerWaalsContact O-CB 3.22Å; T198-L243 WeakPolarHBondContact O-CB 3.21Å; T198-L243 PolarHBondContact O-N 3.39Å; N199-L243 HydrophobicContact CB-CB 4.02Å; N199-L243 HydrophobicContact CB-CD2 3.77Å; S241-L243 PolarHBondContact O-N 3.47Å; L243-A245 VanDerWaalsContact C-N 3.31Å; L243-E269 HydrophobicContact CD2-CB 4.22Å; L243-E272 HydrophobicContact CD1-CB 3.8Å; L243-E272 HydrophobicContact CD1-CG 3.72Å; L243-E272 HydrophobicContact CD2-CB 4.3Å; L243-E272 HydrophobicContact CD2-CG 4.38Å; L243-H276 PolarHBondContact O-CE1 3.28Å; L243-H276 PolarHBondContact O-ND1 2.7Å; L243-H276 VanDerWaalsContact O-ND1 3.13Å
244	Q	98.5	Very high	98.5	Very high	99 Å²	99	45.1 Å²	45.1	46%	0.463	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-85.1	-1.1	179.6	-56.2	-62	-29.8	0	0	113.4	N199 T236 S241 P242	N199-Q244 PolarHBondContact OD1-NE2 3.41Å; T236-Q244 WeakPolarHBondContact O-CB 3.28Å; S241-Q244 WeakPolarHBondContact O-CB 3.42Å; S241-Q244 PolarHBondContact O-N 2.92Å; P242-Q244 PolarHBondContact O-N 2.99Å
245	A	98.6	Very high	98.5	Very high	8 Å²	8	42 Å²	42	7%	0.066	24%	0.239	C	C	.	.			trans	-61.8	138.9	175.8	0	0	0	0	0	111.1	M178 K238 P242 L243 E249 L250	M178-A245 HydrophobicContact CE-CB 3.98Å; M178-A245 HydrophobicContact SD-CB 4.2Å; K238-A245 HydrophobicContact CB-CB 3.84Å; P242-A245 VanDerWaalsContact O-CB 3.26Å; P242-A245 WeakPolarHBondContact O-CB 3.49Å; P242-A245 PolarHBondContact O-N 3Å; P242-A245 VanDerWaalsContact O-N 3.15Å; L243-A245 VanDerWaalsContact C-N 3.31Å; A245-E249 HydrophobicContact CB-CB 4.22Å; A245-L250 HydrophobicContact CB-CD1 4.41Å; A245-L250 HydrophobicContact CB-CD2 3.65Å; A245-L250 HydrophobicContact CB-CG 3.84Å
246	S	98.4	Very high	98.5	Very high	43 Å²	43	41.4 Å²	41.4	30%	0.301	23%	0.234	S	C	.	.			trans	-66.9	160.5	174.7	99.8	0	0	0	0	111.3	E248 E249 L250	S246-E248 WeakPolarHBondContact CB-OE2 3.25Å; S246-E248 PolarHBondContact O-N 3.33Å; S246-E248 PolarHBondContact OG-N 2.98Å; S246-E248 PolarHBondContact OG-OE2 3.33Å; S246-E249 PolarHBondContact N-OE2 3.13Å; S246-E249 CarbonylContact O-C 3.55Å; S246-E249 WeakPolarHBondContact O-CA 3.41Å; S246-E249 WeakPolarHBondContact O-CB 3.37Å; S246-E249 PolarHBondContact O-N 3.25Å; S246-E249 WeakPolarHBondContact OG-CG 3.12Å; S246-E249 PolarHBondContact OG-N 2.89Å; S246-L250 WeakPolarHBondContact O-CG 3.19Å; S246-L250 PolarHBondContact O-N 3.43Å
247	K	98.5	Very high	98.6	Very high	123 Å²	123	37.2 Å²	37.2	54%	0.535	21%	0.208	S	C	.	.	H	α-helix	trans	-54.7	-42.6	174.5	-179.9	170.4	168.5	152	0	111.8	E249 L250 T251 D279 A280	K247-E249 VanDerWaalsContact C-N 3.31Å; K247-E249 PolarHBondContact O-N 2.7Å; K247-L250 PolarHBondContact O-N 3.49Å; K247-L250 VanDerWaalsContact O-N 3.17Å; K247-T251 PolarHBondContact O-N 2.86Å; K247-T251 PolarHBondContact O-OG1 3.29Å; K247-T251 VanDerWaalsContact O-OG1 3.07Å; K247-D279 WeakPolarHBondContact CE-O 3.12Å; K247-D279 PolarHBondContact NZ-O 2.7Å; K247-A280 HydrophobicContact CG-CB 4.07Å
248	E	98.4	Very high	98.6	Very high	140 Å²	140	34.6 Å²	34.6	65%	0.654	20%	0.195	S	C	*	.	H	α-helix	trans	-63.3	-38.1	176.8	-59.2	72.2	-156.3	0	0	111.8	K181 S246 L250 T251	K181-E248 PolarHBondContact NZ-O 2.9Å; S246-E248 WeakPolarHBondContact CB-OE2 3.25Å; S246-E248 PolarHBondContact O-N 3.33Å; S246-E248 PolarHBondContact OG-N 2.98Å; S246-E248 PolarHBondContact OG-OE2 3.33Å; E248-L250 VanDerWaalsContact C-N 3.27Å; E248-L250 PolarHBondContact O-N 2.93Å; E248-T251 PolarHBondContact O-N 2.7Å
249	E	98.5	Very high	98.6	Very high	65 Å²	65	33.3 Å²	33.3	30%	0.304	19%	0.189	S	C	.	.	H	α-helix	trans	-70.4	-23.2	176	-63.8	-179.1	124.2	0	0	112.8	K181 K238 A245 S246 K247	K181-E249 WeakPolarHBondContact CE-O 3.35Å; K181-E249 PolarHBondContact NZ-O 3.44Å; K238-E249 HydrophobicContact CD-CB 4.22Å; K238-E249 HydrophobicContact CD-CG 4.31Å; K238-E249 VanDerWaalsContact CD-OE1 3.25Å; K238-E249 WeakPolarHBondContact CD-OE1 3.38Å; K238-E249 VanDerWaalsContact CE-OE1 3.28Å; K238-E249 WeakPolarHBondContact CE-OE1 3.38Å; K238-E249 IonicContact NZ-OE1 3.71Å; K238-E249 PolarHBondContact NZ-OE1 3.01Å; A245-E249 HydrophobicContact CB-CB 4.22Å; S246-E249 PolarHBondContact N-OE2 3.13Å; S246-E249 CarbonylContact O-C 3.55Å; S246-E249 WeakPolarHBondContact O-CA 3.41Å; S246-E249 WeakPolarHBondContact O-CB 3.37Å; S246-E249 PolarHBondContact O-N 3.25Å; S246-E249 WeakPolarHBondContact OG-CG 3.12Å; S246-E249 PolarHBondContact OG-N 2.89Å; K247-E249 VanDerWaalsContact C-N 3.31Å; K247-E249 PolarHBondContact O-N 2.7Å
250	L	98.8	Very high	98.7	Very high	2 Å²	2	32.2 Å²	32.2	1%	0.01	18%	0.183	C	C	.	.	H	α-helix	trans	-92	-24.1	174.6	-64.5	-178.9	0	0	0	113.8	M178 A245 S246 K247 E248 G252 L253 Y273 H276 L277 A280 V282	M178-L250 HydrophobicContact CE-CD2 3.55Å; A245-L250 HydrophobicContact CB-CD1 4.41Å; A245-L250 HydrophobicContact CB-CD2 3.65Å; A245-L250 HydrophobicContact CB-CG 3.84Å; S246-L250 WeakPolarHBondContact O-CG 3.19Å; S246-L250 PolarHBondContact O-N 3.43Å; K247-L250 PolarHBondContact O-N 3.49Å; K247-L250 VanDerWaalsContact O-N 3.17Å; E248-L250 VanDerWaalsContact C-N 3.27Å; E248-L250 PolarHBondContact O-N 2.93Å; L250-G252 PolarHBondContact O-N 2.93Å; L250-L253 HydrophobicContact CB-CD1 4.47Å; L250-L253 HydrophobicContact CD2-CD1 3.67Å; L250-L253 WeakPolarHBondContact O-CB 3.37Å; L250-L253 VanDerWaalsContact O-CG 3.24Å; L250-L253 WeakPolarHBondContact O-CG 3.48Å; L250-L253 PolarHBondContact O-N 3.09Å; L250-Y273 HydrophobicContact CD2-CE2 4.02Å; L250-H276 HydrophobicContact CD1-CB 3.65Å; L250-L277 HydrophobicContact CB-CD2 4.38Å; L250-L277 HydrophobicContact CD2-CD2 4.03Å; L250-A280 HydrophobicContact CB-CB 3.49Å; L250-A280 VanDerWaalsContact CB-CB 3.49Å; L250-V282 WeakPolarHBondContact O-CG2 3.3Å
251	T	98.6	Very high	98.6	Very high	69 Å²	69	32.2 Å²	32.2	42%	0.423	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	133.5	179.8	-69.6	0	0	0	0	111.3	K181 K247 E248 L253 A280	K181-T251 PolarHBondContact NZ-O 3.07Å; K247-T251 PolarHBondContact O-N 2.86Å; K247-T251 PolarHBondContact O-OG1 3.29Å; K247-T251 VanDerWaalsContact O-OG1 3.07Å; E248-T251 PolarHBondContact O-N 2.7Å; T251-L253 VanDerWaalsContact C-N 3.31Å; T251-L253 PolarHBondContact O-N 2.72Å; T251-A280 PolarHBondContact OG1-O 3.16Å
252	G	98.3	Very high	98.6	Very high	68 Å²	68	34 Å²	34	70%	0.701	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.9	7.5	178.9	0	0	0	0	0	115.1	L250	L250-G252 PolarHBondContact O-N 2.93Å
253	L	98.7	Very high	98.6	Very high	12 Å²	12	34 Å²	34	6%	0.063	19%	0.191	C	C	.	.	P	Polyproline II helix	trans	-65.8	156.3	168.3	-70.1	-172.6	0	0	0	111.5	M178 K181 L250 T251 L277 V282	M178-L253 HydrophobicContact CE-CD1 4.29Å; M178-L253 HydrophobicContact CG-CD1 3.97Å; M178-L253 HydrophobicContact CG-CD2 4.23Å; K181-L253 HydrophobicContact CB-CD2 4.42Å; K181-L253 HydrophobicContact CD-CD2 4.4Å; L250-L253 HydrophobicContact CB-CD1 4.47Å; L250-L253 HydrophobicContact CD2-CD1 3.67Å; L250-L253 WeakPolarHBondContact O-CB 3.37Å; L250-L253 VanDerWaalsContact O-CG 3.24Å; L250-L253 WeakPolarHBondContact O-CG 3.48Å; L250-L253 PolarHBondContact O-N 3.09Å; T251-L253 VanDerWaalsContact C-N 3.31Å; T251-L253 PolarHBondContact O-N 2.72Å; L253-L277 HydrophobicContact CD1-CD2 4.01Å; L253-V282 HydrophobicContact CB-CG2 4.09Å
254	P	98.5	Very high	98.6	Very high	16 Å²	16	33.4 Å²	33.4	10%	0.104	19%	0.188	C	C	.	.	P	Polyproline II helix	trans	-62.1	155.6	-179.6	24.3	-34.7	0	0	0	112.7	T177 I188 N189 Q191 A256 V282	T177-P254 HydrophobicContact CG2-CG 3.5Å; I188-P254 HydrophobicContact CB-CB 4.5Å; I188-P254 HydrophobicContact CB-CG 4.24Å; I188-P254 HydrophobicContact CG2-CB 3.98Å; I188-P254 HydrophobicContact CG2-CG 3.74Å; N189-P254 VanDerWaalsContact C-CB 3.42Å; N189-P254 WeakPolarHBondContact O-CB 3.31Å; Q191-P254 HydrophobicContact CB-CG 4.34Å; Q191-P254 HydrophobicContact CG-CG 4.38Å; Q191-P254 PolarHBondContact NE2-O 3.25Å; P254-A256 PolarHBondContact O-N 3.2Å; P254-V282 VanDerWaalsContact O-CG1 3.3Å; P254-V282 WeakPolarHBondContact O-CG1 3.26Å
255	A	98.6	Very high	98.6	Very high	16 Å²	16	28.8 Å²	28.8	13%	0.132	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.4	134.7	174.8	0	0	0	0	0	110.4	N189 Q190 Q191 D283 W318	N189-A255 PolarHBondContact O-N 3.11Å; Q190-A255 CarbonylContact C-O 3.52Å; Q190-A255 WeakPolarHBondContact CA-O 3.33Å; Q191-A255 PolarHBondContact N-O 3.38Å; A255-D283 CarbonylContact C-O 3.47Å; A255-D283 VanDerWaalsContact CA-O 3.32Å; A255-D283 WeakPolarHBondContact CA-O 3.44Å; A255-D283 HydrophobicContact CB-CB 4.06Å; A255-W318 HydrophobicContact CB-CZ2 4.28Å; A255-W318 WeakPolarHBondContact O-CH2 3.31Å
256	A	98.9	Very high	98.6	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	139.1	-170.8	0	0	0	0	0	112.1	Q191 P254 L277 D283 V284 T285	Q191-A256 HydrophobicContact CG-CB 3.43Å; Q191-A256 VanDerWaalsContact CG-CB 3.43Å; Q191-A256 CarbonylContact O-C 3.56Å; Q191-A256 WeakPolarHBondContact O-CA 3.33Å; P254-A256 PolarHBondContact O-N 3.2Å; A256-L277 HydrophobicContact CB-CD1 3.74Å; A256-D283 PolarHBondContact N-O 3.36Å; A256-V284 HydrophobicContact CB-CG2 4.32Å; A256-V284 CarbonylContact O-C 3.56Å; A256-V284 WeakPolarHBondContact O-CA 3.37Å; A256-T285 PolarHBondContact O-N 3.44Å
257	M	98.8	Very high	98.6	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	125.1	161.1	-172.9	171	-176.7	0	0	109.8	Q191 L192 L193 L259 T285 V287 V314 W318	Q191-M257 PolarHBondContact O-N 3.41Å; L192-M257 HydrophobicContact CD1-CB 3.93Å; L192-M257 HydrophobicContact CD1-CG 4.11Å; L192-M257 HydrophobicContact CD1-SD 4.12Å; L193-M257 PolarHBondContact N-O 2.8Å; M257-L259 HydrophobicContact CE-CD1 4.05Å; M257-L259 HydrophobicContact CE-CD2 3.78Å; M257-L259 HydrophobicContact CE-CG 3.92Å; M257-L259 HydrophobicContact CG-CD1 3.76Å; M257-L259 HydrophobicContact CG-CG 4.36Å; M257-L259 HydrophobicContact SD-CD1 4.22Å; M257-T285 CarbonylContact C-O 3.57Å; M257-T285 VanDerWaalsContact CA-O 3.27Å; M257-T285 WeakPolarHBondContact CA-O 3.25Å; M257-T285 HydrophobicContact CG-CG2 4.47Å; M257-V287 HydrophobicContact CE-CG2 4.36Å; M257-V314 HydrophobicContact CE-CB 4.05Å; M257-V314 HydrophobicContact CE-CG1 3.5Å; M257-V314 VanDerWaalsContact CE-CG1 3.5Å; M257-V314 HydrophobicContact CE-CG2 3.68Å; M257-W318 HydrophobicContact CB-CD2 3.76Å; M257-W318 HydrophobicContact CB-CE3 3.85Å; M257-W318 HydrophobicContact CB-CG 4.36Å; M257-W318 HydrophobicContact CB-CH2 3.96Å; M257-W318 HydrophobicContact CB-CZ2 3.87Å; M257-W318 HydrophobicContact CB-CZ3 3.93Å; M257-W318 HydrophobicContact CG-CD2 4.36Å; M257-W318 HydrophobicContact CG-CG 4.48Å; M257-W318 HydrophobicContact SD-CB 3.57Å; M257-W318 VanDerWaalsContact SD-CB 3.57Å; M257-W318 HydrophobicContact SD-CD2 3.83Å; M257-W318 HydrophobicContact SD-CE3 4.15Å; M257-W318 HydrophobicContact SD-CG 3.56Å; M257-W318 VanDerWaalsContact SD-CG 3.56Å
258	I	98.9	Very high	98.6	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	123.5	-178.3	-62	163.1	0	0	0	108.7	L193 P196 N260 Y273 A274 L277 V284 T285 Q286 V287	L193-I258 HydrophobicContact CB-CG1 4.09Å; L193-I258 HydrophobicContact CD1-CD1 4.27Å; L193-I258 HydrophobicContact CD1-CG1 3.79Å; L193-I258 HydrophobicContact CG-CG1 4.41Å; L193-I258 WeakPolarHBondContact O-CA 3.4Å; P196-I258 HydrophobicContact CG-CG2 4.16Å; I258-N260 WeakPolarHBondContact CG2-OD1 3.38Å; I258-Y273 HydrophobicContact CD1-CD1 3.83Å; I258-Y273 HydrophobicContact CD1-CE1 4.38Å; I258-A274 HydrophobicContact CD1-CB 3.56Å; I258-L277 HydrophobicContact CD1-CD1 4.05Å; I258-V284 HydrophobicContact CD1-CG1 4.42Å; I258-T285 PolarHBondContact N-O 3.41Å; I258-Q286 CarbonylContact O-C 3.21Å; I258-Q286 VanDerWaalsContact O-CA 3.31Å; I258-Q286 WeakPolarHBondContact O-CA 3.09Å; I258-V287 PolarHBondContact O-N 2.89Å
259	L	98.9	Very high	98.7	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	122.6	-178.1	-53.2	89.2	0	0	0	109.8	L192 L193 Y194 Y195 M257 V287 F289 A311 V314	L192-L259 HydrophobicContact CD1-CD1 3.6Å; L193-L259 PolarHBondContact O-N 3.01Å; Y194-L259 HydrophobicContact CD1-CB 4.25Å; Y194-L259 HydrophobicContact CD1-CD1 3.86Å; Y194-L259 HydrophobicContact CD1-CD2 4.31Å; Y194-L259 HydrophobicContact CD1-CG 4.39Å; Y194-L259 HydrophobicContact CE1-CD1 3.9Å; Y194-L259 HydrophobicContact CE1-CD2 4.06Å; Y195-L259 WeakPolarHBondContact CA-O 3.46Å; Y195-L259 PolarHBondContact N-O 3.19Å; M257-L259 HydrophobicContact CE-CD1 4.05Å; M257-L259 HydrophobicContact CE-CD2 3.78Å; M257-L259 HydrophobicContact CE-CG 3.92Å; M257-L259 HydrophobicContact CG-CD1 3.76Å; M257-L259 HydrophobicContact CG-CG 4.36Å; M257-L259 HydrophobicContact SD-CD1 4.22Å; L259-V287 CarbonylContact C-O 3.56Å; L259-V287 WeakPolarHBondContact CA-O 3.39Å; L259-F289 HydrophobicContact CB-CD2 4.44Å; L259-F289 HydrophobicContact CB-CE2 4.07Å; L259-F289 HydrophobicContact CD2-CE2 3.67Å; L259-F289 HydrophobicContact CD2-CZ 4.2Å; L259-F289 HydrophobicContact CG-CE2 4.25Å; L259-A311 HydrophobicContact CD2-CB 4.02Å; L259-V314 HydrophobicContact CD2-CG1 4.06Å
260	N	98.8	Very high	98.7	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	150.4	178.9	-68	92.6	0	0	0	111.6	I258 R267 V287 R288 F289	I258-N260 WeakPolarHBondContact CG2-OD1 3.38Å; N260-R267 HydrophobicContact CB-CG 4.3Å; N260-V287 PolarHBondContact N-O 3.09Å; N260-R288 CarbonylContact O-C 3.54Å; N260-R288 WeakPolarHBondContact O-CA 3.27Å; N260-F289 PolarHBondContact O-N 3.38Å
261	G	98.6	Very high	98.7	Very high	0 Å²	0	14 Å²	14	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	156	165.2	0	0	0	0	0	111.3
262	E	98.4	Very high	98.7	Very high	39 Å²	39	13.8 Å²	13.8	18%	0.182	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	-44.4	177.2	173.8	-179.4	-153.9	0	0	113.1	I14 F210 R267 F289 Q290 G291 M292	I14-E262 HydrophobicContact CD1-CG 4.28Å; I14-E262 HydrophobicContact CG2-CG 4.39Å; F210-E262 WeakPolarHBondContact CE2-O 3.29Å; F210-E262 WeakPolarHBondContact CZ-O 3.37Å; E262-R267 WeakPolarHBondContact O-CD 3.37Å; E262-R267 PolarHBondContact O-NH1 3.39Å; E262-F289 PolarHBondContact N-O 3.07Å; E262-Q290 VanDerWaalsContact CG-OE1 3.27Å; E262-Q290 PolarHBondContact OE1-OE1 2.85Å; E262-Q290 WeakPolarHBondContact OE2-CA 3.32Å; E262-Q290 PolarHBondContact OE2-OE1 3.2Å; E262-G291 PolarHBondContact OE2-N 2.85Å; E262-M292 PolarHBondContact N-O 2.94Å; E262-M292 VanDerWaalsContact N-O 3.14Å
263	A	98.2	Very high	98.7	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	60.8	-176.1	0	0	0	0	0	110.5	I14 L16 F210 Y214 M292 I293	I14-A263 HydrophobicContact CG2-CB 4.48Å; L16-A263 HydrophobicContact CD2-CB 3.85Å; F210-A263 HydrophobicContact CD1-CB 4.07Å; F210-A263 HydrophobicContact CE1-CB 3.99Å; F210-A263 HydrophobicContact CZ-CB 4.36Å; Y214-A263 HydrophobicContact CD1-CB 3.6Å; Y214-A263 HydrophobicContact CE1-CB 3.94Å; Y214-A263 HydrophobicContact CG-CB 4.1Å; A263-M292 PolarHBondContact N-O 2.76Å; A263-I293 HydrophobicContact CB-CG2 4.22Å; A263-I293 WeakPolarHBondContact O-CA 3.31Å
264	D	98.7	Very high	98.7	Very high	2 Å²	2	10 Å²	10	1%	0.011	5%	0.051	C	C	.	.			trans	-132.8	131.1	-177.1	-176.6	-11.2	0	0	0	109.2	Y195 S206 L266 R267 H294	Y195-D264 WeakPolarHBondContact CB-OD2 3.47Å; S206-D264 WeakPolarHBondContact CB-O 3.36Å; D264-L266 PolarHBondContact O-N 3.46Å; D264-L266 PolarHBondContact OD1-N 2.87Å; D264-R267 HydrophobicContact CB-CB 4.47Å; D264-R267 WeakPolarHBondContact O-CB 3.36Å; D264-R267 PolarHBondContact O-N 3.43Å; D264-R267 VanDerWaalsContact O-N 3.13Å; D264-H294 IonicContact OD1-CG 2.8Å; D264-H294 IonicContact OD1-ND1 3.77Å; D264-H294 PolarHBondContact OD1-ND1 3.14Å; D264-H294 IonicContact OD2-CE1 3.54Å; D264-H294 IonicContact OD2-CG 2.89Å; D264-H294 IonicContact OD2-ND1 3.72Å; D264-H294 PolarHBondContact OD2-ND1 2.95Å
265	V	98.7	Very high	98.7	Very high	1 Å²	1	13.2 Å²	13.2	1%	0.006	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-30.7	176.6	-65.9	0	0	0	0	112.3	S206 Y207 F210 L216 M221 R267	S206-V265 PolarHBondContact OG-O 2.82Å; Y207-V265 HydrophobicContact CD1-CB 3.67Å; Y207-V265 HydrophobicContact CD1-CG1 4.2Å; Y207-V265 HydrophobicContact CD1-CG2 4.26Å; Y207-V265 WeakPolarHBondContact CD2-O 3.19Å; Y207-V265 HydrophobicContact CE1-CB 3.84Å; Y207-V265 HydrophobicContact CE1-CG2 3.91Å; Y207-V265 HydrophobicContact CG-CB 4.13Å; F210-V265 HydrophobicContact CB-CG1 4.15Å; F210-V265 VanDerWaalsContact O-CG1 3.22Å; F210-V265 WeakPolarHBondContact O-CG1 3.14Å; L216-V265 HydrophobicContact CB-CG2 4.44Å; L216-V265 HydrophobicContact CD2-CG2 3.48Å; L216-V265 VanDerWaalsContact CD2-CG2 3.48Å; L216-V265 HydrophobicContact CG-CG2 3.76Å; M221-V265 HydrophobicContact CG-CG2 4.07Å; V265-R267 VanDerWaalsContact C-N 3.29Å; V265-R267 PolarHBondContact O-N 2.69Å
266	L	98.8	Very high	98.7	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-4.4	-179.2	-53.7	-174	0	0	0	114.2	Y195 V197 Y207 L216 M221 D264 D268 E269 G270 H294	Y195-L266 WeakPolarHBondContact O-CD1 3.3Å; V197-L266 HydrophobicContact CB-CD1 4.36Å; V197-L266 HydrophobicContact CG2-CD1 3.36Å; V197-L266 HydrophobicContact CG2-CD2 3.93Å; V197-L266 HydrophobicContact CG2-CG 4.3Å; Y207-L266 HydrophobicContact CE2-CD2 4.42Å; Y207-L266 VanDerWaalsContact OH-CD2 3.26Å; Y207-L266 WeakPolarHBondContact OH-CD2 3.44Å; L216-L266 HydrophobicContact CD2-CD1 4.08Å; L216-L266 HydrophobicContact CD2-CD2 4.41Å; L216-L266 HydrophobicContact CD2-CG 3.89Å; M221-L266 HydrophobicContact CE-CD2 4.01Å; M221-L266 HydrophobicContact CG-CD2 4.29Å; M221-L266 HydrophobicContact SD-CD2 4.13Å; D264-L266 PolarHBondContact O-N 3.46Å; D264-L266 PolarHBondContact OD1-N 2.87Å; L266-D268 PolarHBondContact O-N 2.95Å; L266-E269 HydrophobicContact CB-CG 4.43Å; L266-E269 VanDerWaalsContact O-CG 3.26Å; L266-E269 WeakPolarHBondContact O-CG 3.23Å; L266-E269 PolarHBondContact O-N 3.44Å; L266-G270 PolarHBondContact O-N 3.26Å; L266-H294 WeakPolarHBondContact CD1-CE1 3.32Å
267	R	98.7	Very high	98.7	Very high	22 Å²	22	15.3 Å²	15.3	8%	0.083	7%	0.068	C	C	.	.	H	α-helix	trans	-52.6	-58.2	-174.8	-177.9	-165.9	75.5	-165.1	-4.1	111.6	N260 E262 D264 V265 E269 G270 E271	N260-R267 HydrophobicContact CB-CG 4.3Å; E262-R267 WeakPolarHBondContact O-CD 3.37Å; E262-R267 PolarHBondContact O-NH1 3.39Å; D264-R267 HydrophobicContact CB-CB 4.47Å; D264-R267 WeakPolarHBondContact O-CB 3.36Å; D264-R267 PolarHBondContact O-N 3.43Å; D264-R267 VanDerWaalsContact O-N 3.13Å; V265-R267 VanDerWaalsContact C-N 3.29Å; V265-R267 PolarHBondContact O-N 2.69Å; R267-E269 VanDerWaalsContact C-N 3.34Å; R267-E269 PolarHBondContact O-N 3.44Å; R267-G270 PolarHBondContact O-N 3.33Å; R267-E271 HydrophobicContact CG-CG 4.45Å; R267-E271 WeakPolarHBondContact O-CB 3.36Å; R267-E271 VanDerWaalsContact O-CG 3.23Å; R267-E271 WeakPolarHBondContact O-CG 3.5Å; R267-E271 PolarHBondContact O-N 2.79Å
268	D	98.8	Very high	98.7	Very high	27 Å²	27	20.8 Å²	20.8	14%	0.144	9%	0.088	C	C	.	.	H	α-helix	trans	-67.3	-36.1	-169.6	-66.4	-10	0	0	0	112.5	T204 D205 S206 L266 E271 E272	T204-D268 HydrophobicContact CG2-CB 4.03Å; D205-D268 PolarHBondContact N-OD2 3.08Å; S206-D268 WeakPolarHBondContact CB-OD2 3.38Å; S206-D268 PolarHBondContact N-OD2 2.96Å; S206-D268 WeakPolarHBondContact OG-CB 3.46Å; S206-D268 VanDerWaalsContact OG-CG 3.29Å; S206-D268 PolarHBondContact OG-N 2.94Å; S206-D268 PolarHBondContact OG-OD2 3.46Å; L266-D268 PolarHBondContact O-N 2.95Å; D268-E271 PolarHBondContact O-N 3.31Å; D268-E272 WeakPolarHBondContact O-CB 3.37Å; D268-E272 PolarHBondContact O-N 3.47Å
269	E	98.7	Very high	98.7	Very high	2 Å²	2	25.9 Å²	25.9	1%	0.009	12%	0.116	C	C	.	.	H	α-helix	trans	-71.7	-42.7	179.1	63.7	171.4	-133.6	0	0	112.1	V197 T198 N199 Y207 L243 L266 R267 E271 E272 Y273	V197-E269 VanDerWaalsContact CA-OE1 3.31Å; V197-E269 WeakPolarHBondContact CA-OE1 3.37Å; T198-E269 PolarHBondContact N-OE1 3.49Å; T198-E269 WeakPolarHBondContact OG1-CB 3.46Å; T198-E269 WeakPolarHBondContact OG1-CG 3.18Å; T198-E269 PolarHBondContact OG1-O 3.02Å; T198-E269 VanDerWaalsContact OG1-O 3.12Å; N199-E269 HydrophobicContact CB-CB 4.37Å; N199-E269 PolarHBondContact N-OE1 3.19Å; Y207-E269 WeakPolarHBondContact CE2-OE2 3.44Å; L243-E269 HydrophobicContact CD2-CB 4.22Å; L266-E269 HydrophobicContact CB-CG 4.43Å; L266-E269 VanDerWaalsContact O-CG 3.26Å; L266-E269 WeakPolarHBondContact O-CG 3.23Å; L266-E269 PolarHBondContact O-N 3.44Å; R267-E269 VanDerWaalsContact C-N 3.34Å; R267-E269 PolarHBondContact O-N 3.44Å; E269-E271 PolarHBondContact O-N 2.96Å; E269-E272 PolarHBondContact O-N 3.01Å; E269-Y273 PolarHBondContact O-N 3.47Å
270	G	98.8	Very high	98.7	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-60.9	-34.8	171.9	0	0	0	0	0	111.2	L266 R267 A274	L266-G270 PolarHBondContact O-N 3.26Å; R267-G270 PolarHBondContact O-N 3.33Å; G270-A274 PolarHBondContact O-N 3.36Å
271	E	98.8	Very high	98.7	Very high	21 Å²	21	29.3 Å²	29.3	10%	0.098	15%	0.15	C	C	.	.	H	α-helix	trans	-74	-34.7	177.6	-69.5	-171.2	179.2	0	0	115.1	R267 D268 E269 A274 R275 Q286 R288	R267-E271 HydrophobicContact CG-CG 4.45Å; R267-E271 WeakPolarHBondContact O-CB 3.36Å; R267-E271 VanDerWaalsContact O-CG 3.23Å; R267-E271 WeakPolarHBondContact O-CG 3.5Å; R267-E271 PolarHBondContact O-N 2.79Å; D268-E271 PolarHBondContact O-N 3.31Å; E269-E271 PolarHBondContact O-N 2.96Å; E271-A274 WeakPolarHBondContact O-CB 3.38Å; E271-R275 PolarHBondContact O-N 2.62Å; E271-R275 PolarHBondContact O-NH1 3.16Å; E271-Q286 PolarHBondContact O-NE2 3.4Å; E271-R288 IonicContact OE1-CZ 2.62Å; E271-R288 IonicContact OE1-NE 2.72Å; E271-R288 PolarHBondContact OE1-NE 3.3Å; E271-R288 IonicContact OE1-NH2 3.65Å; E271-R288 PolarHBondContact OE1-NH2 3.49Å; E271-R288 IonicContact OE2-CZ 3.75Å; E271-R288 IonicContact OE2-NH2 3.38Å; E271-R288 PolarHBondContact OE2-NH2 3.07Å
272	E	98.8	Very high	98.7	Very high	63 Å²	63	29.8 Å²	29.8	29%	0.294	15%	0.154	S	C	.	.	H	α-helix	trans	-68.3	-40.3	172.7	-169	64.7	-105.8	0	0	110.9	L243 D268 E269 A274 R275 H276	L243-E272 HydrophobicContact CD1-CB 3.8Å; L243-E272 HydrophobicContact CD1-CG 3.72Å; L243-E272 HydrophobicContact CD2-CB 4.3Å; L243-E272 HydrophobicContact CD2-CG 4.38Å; D268-E272 WeakPolarHBondContact O-CB 3.37Å; D268-E272 PolarHBondContact O-N 3.47Å; E269-E272 PolarHBondContact O-N 3.01Å; E272-A274 PolarHBondContact O-N 2.7Å; E272-R275 VanDerWaalsContact CD-NE 3.26Å; E272-R275 VanDerWaalsContact CD-NH2 3.3Å; E272-R275 WeakPolarHBondContact O-CA 3.27Å; E272-R275 WeakPolarHBondContact O-CB 2.99Å; E272-R275 PolarHBondContact O-N 2.72Å; E272-R275 IonicContact OE1-CZ 3.94Å; E272-R275 IonicContact OE1-NE 3.29Å; E272-R275 PolarHBondContact OE1-NE 2.92Å; E272-R275 IonicContact OE1-NH2 2.86Å; E272-R275 IonicContact OE2-CZ 2.7Å; E272-R275 VanDerWaalsContact OE2-CZ 3.29Å; E272-R275 IonicContact OE2-NE 2.76Å; E272-R275 PolarHBondContact OE2-NE 2.67Å; E272-R275 VanDerWaalsContact OE2-NE 3.14Å; E272-R275 IonicContact OE2-NH2 3.82Å; E272-R275 PolarHBondContact OE2-NH2 3.32Å; E272-H276 PolarHBondContact O-N 3.29Å; E272-H276 IonicContact OE1-CD2 2.69Å; E272-H276 IonicContact OE1-NE2 3.45Å
273	Y	98.9	Very high	98.7	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-58	-40.3	175.6	-177	-112	0	0	0	111.9	T174 M178 L193 T198 P242 L250 I258 E269 R275 H276 L277	T174-Y273 HydrophobicContact CG2-CD1 4.26Å; T174-Y273 HydrophobicContact CG2-CE1 3.44Å; T174-Y273 VanDerWaalsContact CG2-CE1 3.44Å; M178-Y273 HydrophobicContact CE-CE2 4.11Å; L193-Y273 HydrophobicContact CD1-CD1 4.44Å; L193-Y273 HydrophobicContact CD1-CE1 4Å; T198-Y273 HydrophobicContact CG2-CD1 4.16Å; T198-Y273 HydrophobicContact CG2-CD2 4.48Å; T198-Y273 HydrophobicContact CG2-CG 3.9Å; P242-Y273 HydrophobicContact CB-CD2 4.32Å; P242-Y273 HydrophobicContact CB-CE2 3.9Å; L250-Y273 HydrophobicContact CD2-CE2 4.02Å; I258-Y273 HydrophobicContact CD1-CD1 3.83Å; I258-Y273 HydrophobicContact CD1-CE1 4.38Å; E269-Y273 PolarHBondContact O-N 3.47Å; Y273-R275 VanDerWaalsContact C-N 3.3Å; Y273-R275 PolarHBondContact O-N 3.44Å; Y273-H276 PolarHBondContact O-N 3.38Å; Y273-L277 HydrophobicContact CD1-CD1 3.92Å; Y273-L277 HydrophobicContact CD1-CG 4.4Å; Y273-L277 HydrophobicContact CE1-CD1 3.43Å; Y273-L277 VanDerWaalsContact CE1-CD1 3.43Å; Y273-L277 HydrophobicContact CE1-CD2 4.46Å; Y273-L277 HydrophobicContact CE1-CG 3.97Å; Y273-L277 HydrophobicContact CE2-CG 4.34Å; Y273-L277 WeakPolarHBondContact O-CG 3.37Å; Y273-L277 PolarHBondContact O-N 3.22Å
274	A	98.9	Very high	98.8	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-62.3	-33.3	173.4	0	0	0	0	0	113.4	I258 G270 E271 E272 R278 V284 Q286	I258-A274 HydrophobicContact CD1-CB 3.56Å; G270-A274 PolarHBondContact O-N 3.36Å; E271-A274 WeakPolarHBondContact O-CB 3.38Å; E272-A274 PolarHBondContact O-N 2.7Å; A274-R278 WeakPolarHBondContact O-CG 3.25Å; A274-R278 PolarHBondContact O-N 3.08Å; A274-R278 PolarHBondContact O-NE 2.94Å; A274-V284 HydrophobicContact CB-CG1 3.98Å; A274-Q286 HydrophobicContact CB-CB 4.16Å; A274-Q286 HydrophobicContact CB-CG 4.09Å
275	R	98.8	Very high	98.8	Very high	84 Å²	84	37.1 Å²	37.1	32%	0.317	20%	0.196	S	C	.	.	H	α-helix	trans	-69.3	-48.7	173.2	-71.6	-175.6	-74.6	-85.2	8.4	110.7	E271 E272 Y273 L277 R278 D279	E271-R275 PolarHBondContact O-N 2.62Å; E271-R275 PolarHBondContact O-NH1 3.16Å; E272-R275 VanDerWaalsContact CD-NE 3.26Å; E272-R275 VanDerWaalsContact CD-NH2 3.3Å; E272-R275 WeakPolarHBondContact O-CA 3.27Å; E272-R275 WeakPolarHBondContact O-CB 2.99Å; E272-R275 PolarHBondContact O-N 2.72Å; E272-R275 IonicContact OE1-CZ 3.94Å; E272-R275 IonicContact OE1-NE 3.29Å; E272-R275 PolarHBondContact OE1-NE 2.92Å; E272-R275 IonicContact OE1-NH2 2.86Å; E272-R275 IonicContact OE2-CZ 2.7Å; E272-R275 VanDerWaalsContact OE2-CZ 3.29Å; E272-R275 IonicContact OE2-NE 2.76Å; E272-R275 PolarHBondContact OE2-NE 2.67Å; E272-R275 VanDerWaalsContact OE2-NE 3.14Å; E272-R275 IonicContact OE2-NH2 3.82Å; E272-R275 PolarHBondContact OE2-NH2 3.32Å; Y273-R275 VanDerWaalsContact C-N 3.3Å; Y273-R275 PolarHBondContact O-N 3.44Å; R275-L277 VanDerWaalsContact C-N 3.31Å; R275-L277 PolarHBondContact O-N 2.97Å; R275-R278 WeakPolarHBondContact O-CB 3.44Å; R275-R278 PolarHBondContact O-N 3.22Å; R275-R278 VanDerWaalsContact O-N 3.07Å; R275-D279 PolarHBondContact O-N 3.01Å
276	H	98.8	Very high	98.8	Very high	61 Å²	61	39.7 Å²	39.7	28%	0.282	21%	0.208	S	C	.	.	H	α-helix	trans	-57.9	-41.7	178.6	-73.1	-163.2	0	0	0	112.4	L243 L250 E272 Y273 D279 A280	L243-H276 PolarHBondContact O-CE1 3.28Å; L243-H276 PolarHBondContact O-ND1 2.7Å; L243-H276 VanDerWaalsContact O-ND1 3.13Å; L250-H276 HydrophobicContact CD1-CB 3.65Å; E272-H276 PolarHBondContact O-N 3.29Å; E272-H276 IonicContact OE1-CD2 2.69Å; E272-H276 IonicContact OE1-NE2 3.45Å; Y273-H276 PolarHBondContact O-N 3.38Å; H276-D279 PolarHBondContact O-N 2.82Å; H276-A280 WeakPolarHBondContact O-CB 3.4Å; H276-A280 PolarHBondContact O-N 2.81Å
277	L	98.9	Very high	98.8	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-60.8	-45.6	174.2	-77.3	177.4	0	0	0	112.4	L250 L253 A256 I258 Y273 R275 A280 G281 V282 V284	L250-L277 HydrophobicContact CB-CD2 4.38Å; L250-L277 HydrophobicContact CD2-CD2 4.03Å; L253-L277 HydrophobicContact CD1-CD2 4.01Å; A256-L277 HydrophobicContact CB-CD1 3.74Å; I258-L277 HydrophobicContact CD1-CD1 4.05Å; Y273-L277 HydrophobicContact CD1-CD1 3.92Å; Y273-L277 HydrophobicContact CD1-CG 4.4Å; Y273-L277 HydrophobicContact CE1-CD1 3.43Å; Y273-L277 VanDerWaalsContact CE1-CD1 3.43Å; Y273-L277 HydrophobicContact CE1-CD2 4.46Å; Y273-L277 HydrophobicContact CE1-CG 3.97Å; Y273-L277 HydrophobicContact CE2-CG 4.34Å; Y273-L277 WeakPolarHBondContact O-CG 3.37Å; Y273-L277 PolarHBondContact O-N 3.22Å; R275-L277 VanDerWaalsContact C-N 3.31Å; R275-L277 PolarHBondContact O-N 2.97Å; L277-A280 CarbonylContact O-C 3.54Å; L277-A280 WeakPolarHBondContact O-CB 3.49Å; L277-A280 PolarHBondContact O-N 2.8Å; L277-G281 PolarHBondContact O-N 3.22Å; L277-V282 HydrophobicContact CB-CB 4.12Å; L277-V282 HydrophobicContact CD2-CB 4.32Å; L277-V282 HydrophobicContact CD2-CG1 4.41Å; L277-V282 HydrophobicContact CD2-CG2 4.01Å; L277-V282 WeakPolarHBondContact O-CB 3.49Å; L277-V282 PolarHBondContact O-N 3.09Å; L277-V284 HydrophobicContact CB-CG2 3.49Å; L277-V284 VanDerWaalsContact CB-CG2 3.49Å; L277-V284 HydrophobicContact CD1-CG2 4.18Å
278	R	98.8	Very high	98.8	Very high	114 Å²	114	44.8 Å²	44.8	43%	0.43	23%	0.232	S	C	.	.	H	α-helix	trans	-62.7	-43	176.4	-75.5	-178.5	-72.3	-170.2	-8.3	111.7	A274 R275 A280 G281 V284	A274-R278 WeakPolarHBondContact O-CG 3.25Å; A274-R278 PolarHBondContact O-N 3.08Å; A274-R278 PolarHBondContact O-NE 2.94Å; R275-R278 WeakPolarHBondContact O-CB 3.44Å; R275-R278 PolarHBondContact O-N 3.22Å; R275-R278 VanDerWaalsContact O-N 3.07Å; R278-A280 PolarHBondContact O-N 2.91Å; R278-G281 WeakPolarHBondContact O-CA 3.45Å; R278-G281 PolarHBondContact O-N 3.46Å; R278-V284 HydrophobicContact CG-CB 3.64Å; R278-V284 HydrophobicContact CG-CG1 4.46Å; R278-V284 HydrophobicContact CG-CG2 3.73Å
279	D	98.7	Very high	98.7	Very high	107 Å²	107	44.4 Å²	44.4	57%	0.572	23%	0.229	S	C	*	.	H	α-helix	trans	-63.5	-28.2	177.5	-71.8	-16.5	0	0	0	112	K247 R275 H276 G281	K247-D279 WeakPolarHBondContact CE-O 3.12Å; K247-D279 PolarHBondContact NZ-O 2.7Å; R275-D279 PolarHBondContact O-N 3.01Å; H276-D279 PolarHBondContact O-N 2.82Å; D279-G281 VanDerWaalsContact C-N 3.3Å
280	A	98.7	Very high	98.7	Very high	7 Å²	7	49.4 Å²	49.4	6%	0.058	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-0.8	172.6	0	0	0	0	0	114.7	K247 L250 T251 H276 L277 R278	K247-A280 HydrophobicContact CG-CB 4.07Å; L250-A280 HydrophobicContact CB-CB 3.49Å; L250-A280 VanDerWaalsContact CB-CB 3.49Å; T251-A280 PolarHBondContact OG1-O 3.16Å; H276-A280 WeakPolarHBondContact O-CB 3.4Å; H276-A280 PolarHBondContact O-N 2.81Å; L277-A280 CarbonylContact O-C 3.54Å; L277-A280 WeakPolarHBondContact O-CB 3.49Å; L277-A280 PolarHBondContact O-N 2.8Å; R278-A280 PolarHBondContact O-N 2.91Å
281	G	98.7	Very high	98.7	Very high	65 Å²	65	49.7 Å²	49.7	67%	0.67	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.7	16.4	177.6	0	0	0	0	0	114.9	L277 R278 D279	L277-G281 PolarHBondContact O-N 3.22Å; R278-G281 WeakPolarHBondContact O-CA 3.45Å; R278-G281 PolarHBondContact O-N 3.46Å; D279-G281 VanDerWaalsContact C-N 3.3Å
282	V	98.8	Very high	98.7	Very high	11 Å²	11	48.7 Å²	48.7	7%	0.067	25%	0.25	C	S	.	.			trans	-81.2	140.4	175.7	-180	0	0	0	0	110	L250 L253 P254 L277 V284	L250-V282 WeakPolarHBondContact O-CG2 3.3Å; L253-V282 HydrophobicContact CB-CG2 4.09Å; P254-V282 VanDerWaalsContact O-CG1 3.3Å; P254-V282 WeakPolarHBondContact O-CG1 3.26Å; L277-V282 HydrophobicContact CB-CB 4.12Å; L277-V282 HydrophobicContact CD2-CB 4.32Å; L277-V282 HydrophobicContact CD2-CG1 4.41Å; L277-V282 HydrophobicContact CD2-CG2 4.01Å; L277-V282 WeakPolarHBondContact O-CB 3.49Å; L277-V282 PolarHBondContact O-N 3.09Å; V282-V284 HydrophobicContact CB-CG2 4.32Å; V282-V284 HydrophobicContact CG1-CG2 4.2Å; V282-V284 PolarHBondContact O-N 2.98Å
283	D	98.5	Very high	98.7	Very high	119 Å²	119	45.7 Å²	45.7	64%	0.636	24%	0.236	S	C	*	.			trans	-70.3	108.7	171.6	-72	-30.1	0	0	0	110	A255 A256	A255-D283 CarbonylContact C-O 3.47Å; A255-D283 VanDerWaalsContact CA-O 3.32Å; A255-D283 WeakPolarHBondContact CA-O 3.44Å; A255-D283 HydrophobicContact CB-CB 4.06Å; A256-D283 PolarHBondContact N-O 3.36Å
284	V	98.8	Very high	98.7	Very high	28 Å²	28	45.8 Å²	45.8	17%	0.17	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	132	-176.8	-177.2	0	0	0	0	111.5	A256 I258 A274 L277 R278 V282 Q286	A256-V284 HydrophobicContact CB-CG2 4.32Å; A256-V284 CarbonylContact O-C 3.56Å; A256-V284 WeakPolarHBondContact O-CA 3.37Å; I258-V284 HydrophobicContact CD1-CG1 4.42Å; A274-V284 HydrophobicContact CB-CG1 3.98Å; L277-V284 HydrophobicContact CB-CG2 3.49Å; L277-V284 VanDerWaalsContact CB-CG2 3.49Å; L277-V284 HydrophobicContact CD1-CG2 4.18Å; R278-V284 HydrophobicContact CG-CB 3.64Å; R278-V284 HydrophobicContact CG-CG1 4.46Å; R278-V284 HydrophobicContact CG-CG2 3.73Å; V282-V284 HydrophobicContact CB-CG2 4.32Å; V282-V284 HydrophobicContact CG1-CG2 4.2Å; V282-V284 PolarHBondContact O-N 2.98Å; V284-Q286 HydrophobicContact CG1-CB 4.47Å
285	T	98.6	Very high	98.6	Very high	47 Å²	47	46.2 Å²	46.2	29%	0.288	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	126.3	161.5	-56.2	0	0	0	0	108.5	A256 M257 I258 V287 W318	A256-T285 PolarHBondContact O-N 3.44Å; M257-T285 CarbonylContact C-O 3.57Å; M257-T285 VanDerWaalsContact CA-O 3.27Å; M257-T285 WeakPolarHBondContact CA-O 3.25Å; M257-T285 HydrophobicContact CG-CG2 4.47Å; I258-T285 PolarHBondContact N-O 3.41Å; T285-V287 HydrophobicContact CG2-CG2 4.4Å; T285-W318 PolarHBondContact OG1-NE1 2.86Å
286	Q	98.6	Very high	98.6	Very high	55 Å²	55	42.2 Å²	42.2	26%	0.257	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	133.3	-178.9	175.1	-177.6	31.7	0	0	109.5	I258 E271 A274 V284	I258-Q286 CarbonylContact O-C 3.21Å; I258-Q286 VanDerWaalsContact O-CA 3.31Å; I258-Q286 WeakPolarHBondContact O-CA 3.09Å; E271-Q286 PolarHBondContact O-NE2 3.4Å; A274-Q286 HydrophobicContact CB-CB 4.16Å; A274-Q286 HydrophobicContact CB-CG 4.09Å; V284-Q286 HydrophobicContact CG1-CB 4.47Å
287	V	98.7	Very high	98.6	Very high	40 Å²	40	39.4 Å²	39.4	24%	0.242	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	130.1	-179.8	-169.2	0	0	0	0	110.2	M257 I258 L259 N260 T285 F289	M257-V287 HydrophobicContact CE-CG2 4.36Å; I258-V287 PolarHBondContact O-N 2.89Å; L259-V287 CarbonylContact C-O 3.56Å; L259-V287 WeakPolarHBondContact CA-O 3.39Å; N260-V287 PolarHBondContact N-O 3.09Å; T285-V287 HydrophobicContact CG2-CG2 4.4Å; V287-F289 HydrophobicContact CB-CE2 3.8Å; V287-F289 HydrophobicContact CB-CZ 4.23Å; V287-F289 HydrophobicContact CG1-CD2 4.13Å; V287-F289 HydrophobicContact CG1-CE1 4.29Å; V287-F289 HydrophobicContact CG1-CE2 3.48Å; V287-F289 VanDerWaalsContact CG1-CE2 3.48Å; V287-F289 HydrophobicContact CG1-CZ 3.57Å
288	R	98.8	Very high	98.6	Very high	90 Å²	90	39.5 Å²	39.5	34%	0.34	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	128.2	166.7	-174.8	-169.1	-63.7	-170.5	-2.4	109.2	N260 E271	N260-R288 CarbonylContact O-C 3.54Å; N260-R288 WeakPolarHBondContact O-CA 3.27Å; E271-R288 IonicContact OE1-CZ 2.62Å; E271-R288 IonicContact OE1-NE 2.72Å; E271-R288 PolarHBondContact OE1-NE 3.3Å; E271-R288 IonicContact OE1-NH2 3.65Å; E271-R288 PolarHBondContact OE1-NH2 3.49Å; E271-R288 IonicContact OE2-CZ 3.75Å; E271-R288 IonicContact OE2-NH2 3.38Å; E271-R288 PolarHBondContact OE2-NH2 3.07Å
289	F	98.7	Very high	98.6	Very high	19 Å²	19	34.1 Å²	34.1	8%	0.083	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	114.6	174.3	-71.4	-86.2	0	0	0	110.2	L259 N260 E262 V287 M292 F296 A307 A310 A311 V314	L259-F289 HydrophobicContact CB-CD2 4.44Å; L259-F289 HydrophobicContact CB-CE2 4.07Å; L259-F289 HydrophobicContact CD2-CE2 3.67Å; L259-F289 HydrophobicContact CD2-CZ 4.2Å; L259-F289 HydrophobicContact CG-CE2 4.25Å; N260-F289 PolarHBondContact O-N 3.38Å; E262-F289 PolarHBondContact N-O 3.07Å; V287-F289 HydrophobicContact CB-CE2 3.8Å; V287-F289 HydrophobicContact CB-CZ 4.23Å; V287-F289 HydrophobicContact CG1-CD2 4.13Å; V287-F289 HydrophobicContact CG1-CE1 4.29Å; V287-F289 HydrophobicContact CG1-CE2 3.48Å; V287-F289 VanDerWaalsContact CG1-CE2 3.48Å; V287-F289 HydrophobicContact CG1-CZ 3.57Å; F289-M292 HydrophobicContact CB-CG 4.45Å; F289-F296 HydrophobicContact CB-CE2 4.33Å; F289-F296 HydrophobicContact CB-CZ 4.17Å; F289-F296 HydrophobicContact CD2-CE2 4.13Å; F289-F296 AromaticContact CD2-CZ 3.75Å; F289-F296 HydrophobicContact CD2-CZ 3.75Å; F289-F296 HydrophobicContact CG-CE2 4.18Å; F289-F296 HydrophobicContact CG-CZ 4.12Å; F289-A307 HydrophobicContact CB-CB 4.14Å; F289-A307 HydrophobicContact CD1-CB 4.1Å; F289-A307 VanDerWaalsContact CD1-O 3.32Å; F289-A307 WeakPolarHBondContact CD1-O 3.39Å; F289-A310 HydrophobicContact CE1-CB 3.88Å; F289-A311 HydrophobicContact CD1-CB 4.19Å; F289-A311 HydrophobicContact CD2-CB 4.09Å; F289-A311 HydrophobicContact CE1-CB 3.78Å; F289-A311 HydrophobicContact CE2-CB 3.68Å; F289-A311 HydrophobicContact CG-CB 4.34Å; F289-A311 HydrophobicContact CZ-CB 3.52Å; F289-V314 HydrophobicContact CZ-CG1 3.83Å
290	Q	98.2	Very high	98.6	Very high	107 Å²	107	29.3 Å²	29.3	50%	0.5	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	150.6	178.9	-51.3	-61.4	-1.2	0	0	111.1	E262 M292	E262-Q290 VanDerWaalsContact CG-OE1 3.27Å; E262-Q290 PolarHBondContact OE1-OE1 2.85Å; E262-Q290 WeakPolarHBondContact OE2-CA 3.32Å; E262-Q290 PolarHBondContact OE2-OE1 3.2Å; Q290-M292 PolarHBondContact O-N 3.06Å
291	G	97.9	Very high	98.6	Very high	5 Å²	5	31.4 Å²	31.4	5%	0.052	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	72.3	8.6	178	0	0	0	0	0	115.3	L16 E17 E262	L16-G291 WeakPolarHBondContact CA-O 3.49Å; E17-G291 PolarHBondContact N-O 2.95Å; E262-G291 PolarHBondContact OE2-N 2.85Å
292	M	98.6	Very high	98.6	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	149.9	-178.2	-63.2	-49.3	-64.4	0	0	113.2	E17 A20 E262 A263 F289 Q290 F296 M302 S305 A307	E17-M292 HydrophobicContact CB-SD 3.94Å; E17-M292 HydrophobicContact CG-SD 4.14Å; A20-M292 HydrophobicContact CB-CE 3.97Å; A20-M292 HydrophobicContact CB-SD 4.13Å; E262-M292 PolarHBondContact N-O 2.94Å; E262-M292 VanDerWaalsContact N-O 3.14Å; A263-M292 PolarHBondContact N-O 2.76Å; F289-M292 HydrophobicContact CB-CG 4.45Å; Q290-M292 PolarHBondContact O-N 3.06Å; M292-F296 HydrophobicContact CB-CB 4.09Å; M292-F296 HydrophobicContact CB-CD1 4.25Å; M292-F296 HydrophobicContact CB-CD2 4.45Å; M292-F296 HydrophobicContact CB-CG 4.04Å; M292-F296 HydrophobicContact CE-CB 3.43Å; M292-F296 VanDerWaalsContact CE-CB 3.43Å; M292-F296 HydrophobicContact CE-CG 4.31Å; M292-F296 HydrophobicContact CG-CB 4.4Å; M292-F296 HydrophobicContact CG-CD2 4.35Å; M292-F296 HydrophobicContact CG-CG 4.37Å; M292-M302 HydrophobicContact CE-CB 4.19Å; M292-M302 HydrophobicContact CE-CG 4.3Å; M292-M302 HydrophobicContact CE-SD 3.65Å; M292-S305 WeakPolarHBondContact CE-OG 3.33Å; M292-S305 PolarHBondContact SD-OG 2.83Å; M292-S305 VanDerWaalsContact SD-OG 3.39Å; M292-A307 HydrophobicContact CG-CB 3.27Å; M292-A307 HydrophobicContact SD-CB 3.85Å
293	I	98.6	Very high	98.5	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	-179.3	175.6	58.8	172.7	0	0	0	111.2	L16 A20 F23 Y214 F215 A263 F296 M302	L16-I293 HydrophobicContact CD1-CG2 3.99Å; L16-I293 HydrophobicContact CD2-CG2 3.93Å; A20-I293 HydrophobicContact CB-CD1 4.41Å; A20-I293 HydrophobicContact CB-CG1 4.06Å; A20-I293 HydrophobicContact CB-CG2 4.46Å; F23-I293 HydrophobicContact CB-CD1 4.42Å; F23-I293 HydrophobicContact CD1-CD1 3.78Å; Y214-I293 HydrophobicContact CD1-CG2 4.03Å; F215-I293 HydrophobicContact CB-CD1 3.96Å; A263-I293 HydrophobicContact CB-CG2 4.22Å; A263-I293 WeakPolarHBondContact O-CA 3.31Å; I293-F296 WeakPolarHBondContact O-CB 3.22Å; I293-F296 VanDerWaalsContact O-CD1 3.31Å; I293-F296 WeakPolarHBondContact O-CD1 3.47Å; I293-M302 HydrophobicContact CD1-CE 3.92Å; I293-M302 HydrophobicContact CD1-SD 3.88Å; I293-M302 HydrophobicContact CG1-CE 3.9Å; I293-M302 HydrophobicContact CG1-SD 3.7Å
294	H	98.7	Very high	98.5	Very high	2 Å²	2	28.9 Å²	28.9	1%	0.009	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	154.7	171.9	-163.6	68.7	0	0	0	112.5	S167 Y195 L216 D264 L266 F296	S167-H294 VanDerWaalsContact CB-NE2 3.34Å; S167-H294 WeakPolarHBondContact CB-NE2 3.25Å; S167-H294 PolarHBondContact OG-CE1 2.77Å; S167-H294 VanDerWaalsContact OG-CE1 3.27Å; S167-H294 PolarHBondContact OG-NE2 3.31Å; Y195-H294 AromaticContact CD2-CE1 3.29Å; Y195-H294 WeakPolarHBondContact CD2-CE1 3.36Å; Y195-H294 AromaticContact CD2-ND1 3.61Å; Y195-H294 AromaticContact CD2-NE2 3.99Å; Y195-H294 AromaticContact CE2-CE1 3.96Å; Y195-H294 AromaticContact CG-ND1 3.97Å; L216-H294 HydrophobicContact CB-CB 3.56Å; L216-H294 HydrophobicContact CD2-CB 4.07Å; L216-H294 VanDerWaalsContact CD2-CD2 3.46Å; L216-H294 WeakPolarHBondContact CD2-CD2 3.39Å; L216-H294 VanDerWaalsContact CD2-CG 3.44Å; L216-H294 HydrophobicContact CG-CB 4.44Å; D264-H294 IonicContact OD1-CG 2.8Å; D264-H294 IonicContact OD1-ND1 3.77Å; D264-H294 PolarHBondContact OD1-ND1 3.14Å; D264-H294 IonicContact OD2-CE1 3.54Å; D264-H294 IonicContact OD2-CG 2.89Å; D264-H294 IonicContact OD2-ND1 3.72Å; D264-H294 PolarHBondContact OD2-ND1 2.95Å; L266-H294 WeakPolarHBondContact CD1-CE1 3.32Å; H294-F296 PolarHBondContact O-N 3.22Å
295	D	98.5	Very high	98.5	Very high	9 Å²	9	27.8 Å²	27.8	5%	0.048	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.2	15.5	179.4	-67.9	-18.9	0	0	0	116.4	Y195 F215 V297 M298 V299	Y195-D295 WeakPolarHBondContact CE2-OD1 3.36Å; Y195-D295 VanDerWaalsContact CZ-CA 3.42Å; Y195-D295 VanDerWaalsContact OH-CA 3.3Å; Y195-D295 WeakPolarHBondContact OH-CA 3.06Å; F215-D295 HydrophobicContact CE1-CB 4.09Å; F215-D295 WeakPolarHBondContact CE1-OD2 3.39Å; D295-V297 VanDerWaalsContact C-N 3.25Å; D295-V297 PolarHBondContact O-N 2.81Å; D295-V297 VanDerWaalsContact O-N 3.08Å; D295-M298 HydrophobicContact CB-CB 4.4Å; D295-M298 HydrophobicContact CB-CE 3.89Å; D295-M298 PolarHBondContact O-N 3.11Å; D295-V299 HydrophobicContact CB-CG2 3.82Å; D295-V299 PolarHBondContact O-N 3.02Å
296	F	98.6	Very high	98.5	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-25.6	-172	71	-89.6	0	0	0	116.2	Y195 F289 M292 I293 H294 M302 T308 A311	Y195-F296 AromaticContact CD1-CD1 3.66Å; Y195-F296 HydrophobicContact CD1-CD1 3.66Å; Y195-F296 AromaticContact CD1-CE1 3.43Å; Y195-F296 HydrophobicContact CD1-CE1 3.43Å; Y195-F296 VanDerWaalsContact CD1-CE1 3.43Å; Y195-F296 HydrophobicContact CD1-CZ 4.35Å; Y195-F296 AromaticContact CE1-CD1 3.56Å; Y195-F296 HydrophobicContact CE1-CD1 3.56Å; Y195-F296 AromaticContact CE1-CE1 3.64Å; Y195-F296 HydrophobicContact CE1-CE1 3.64Å; Y195-F296 HydrophobicContact CE1-CG 4.29Å; Y195-F296 HydrophobicContact CE1-CZ 4.4Å; F289-F296 HydrophobicContact CB-CE2 4.33Å; F289-F296 HydrophobicContact CB-CZ 4.17Å; F289-F296 HydrophobicContact CD2-CE2 4.13Å; F289-F296 AromaticContact CD2-CZ 3.75Å; F289-F296 HydrophobicContact CD2-CZ 3.75Å; F289-F296 HydrophobicContact CG-CE2 4.18Å; F289-F296 HydrophobicContact CG-CZ 4.12Å; M292-F296 HydrophobicContact CB-CB 4.09Å; M292-F296 HydrophobicContact CB-CD1 4.25Å; M292-F296 HydrophobicContact CB-CD2 4.45Å; M292-F296 HydrophobicContact CB-CG 4.04Å; M292-F296 HydrophobicContact CE-CB 3.43Å; M292-F296 VanDerWaalsContact CE-CB 3.43Å; M292-F296 HydrophobicContact CE-CG 4.31Å; M292-F296 HydrophobicContact CG-CB 4.4Å; M292-F296 HydrophobicContact CG-CD2 4.35Å; M292-F296 HydrophobicContact CG-CG 4.37Å; I293-F296 WeakPolarHBondContact O-CB 3.22Å; I293-F296 VanDerWaalsContact O-CD1 3.31Å; I293-F296 WeakPolarHBondContact O-CD1 3.47Å; H294-F296 PolarHBondContact O-N 3.22Å; F296-M302 HydrophobicContact CB-CE 4.42Å; F296-M302 HydrophobicContact CB-SD 4.34Å; F296-T308 VanDerWaalsContact O-CG2 3.25Å; F296-T308 WeakPolarHBondContact O-CG2 3.42Å; F296-T308 PolarHBondContact O-OG1 3.36Å; F296-A311 HydrophobicContact CE2-CB 3.58Å; F296-A311 HydrophobicContact CZ-CB 4.26Å
297	V	98.6	Very high	98.5	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.012	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-18.1	173	-57.3	0	0	0	0	113.8	L109 Y194 Y195 D295 A311 M312	L109-V297 HydrophobicContact CD1-CB 4.38Å; L109-V297 HydrophobicContact CD1-CG2 4.41Å; L109-V297 HydrophobicContact CD2-CB 4.44Å; L109-V297 HydrophobicContact CD2-CG2 3.81Å; Y194-V297 HydrophobicContact CD1-CB 4.3Å; Y194-V297 HydrophobicContact CD1-CG1 3.89Å; Y194-V297 HydrophobicContact CD1-CG2 3.55Å; Y194-V297 HydrophobicContact CD2-CG2 4.04Å; Y194-V297 HydrophobicContact CE1-CB 4.42Å; Y194-V297 HydrophobicContact CE1-CG1 3.97Å; Y194-V297 HydrophobicContact CE1-CG2 4.01Å; Y194-V297 HydrophobicContact CE2-CG2 4.45Å; Y194-V297 HydrophobicContact CG-CG2 3.56Å; Y195-V297 HydrophobicContact CE1-CG2 3.84Å; Y195-V297 WeakPolarHBondContact OH-CG2 3.39Å; D295-V297 VanDerWaalsContact C-N 3.25Å; D295-V297 PolarHBondContact O-N 2.81Å; D295-V297 VanDerWaalsContact O-N 3.08Å; V297-A311 HydrophobicContact CG1-CB 4.08Å; V297-M312 HydrophobicContact CB-SD 4.1Å; V297-M312 HydrophobicContact CG1-SD 4.11Å
298	M	98.5	Very high	98.5	Very high	2 Å²	2	29 Å²	29	1%	0.01	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-47.1	-177.4	-178.3	-78.6	-78.5	0	0	111.2	L45 Q49 L109 D295 N300	L45-M298 HydrophobicContact CD1-CE 4.09Å; Q49-M298 HydrophobicContact CG-SD 4.32Å; Q49-M298 PolarHBondContact NE2-O 3.41Å; L109-M298 HydrophobicContact CD2-CB 4.47Å; D295-M298 HydrophobicContact CB-CB 4.4Å; D295-M298 HydrophobicContact CB-CE 3.89Å; D295-M298 PolarHBondContact O-N 3.11Å; M298-N300 PolarHBondContact O-N 3.29Å
299	V	98.5	Very high	98.5	Very high	2 Å²	2	27.2 Å²	27.2	1%	0.012	14%	0.135	C	C	.	.			trans	-68.6	121.1	-174.1	173.7	0	0	0	0	111.4	F23 V48 D295 S301 M302 D303	F23-V299 HydrophobicContact CD2-CG1 3.93Å; F23-V299 HydrophobicContact CE1-CG1 4.46Å; F23-V299 HydrophobicContact CE1-CG2 4.18Å; F23-V299 HydrophobicContact CE2-CG1 3.64Å; F23-V299 HydrophobicContact CE2-CG2 4.49Å; F23-V299 HydrophobicContact CG-CG1 4.48Å; F23-V299 HydrophobicContact CZ-CG1 3.92Å; F23-V299 HydrophobicContact CZ-CG2 3.94Å; V48-V299 HydrophobicContact CG1-CG1 4.32Å; D295-V299 HydrophobicContact CB-CG2 3.82Å; D295-V299 PolarHBondContact O-N 3.02Å; V299-S301 VanDerWaalsContact C-N 3.33Å; V299-S301 VanDerWaalsContact CG1-OG 3.27Å; V299-S301 WeakPolarHBondContact CG1-OG 3.41Å; V299-S301 PolarHBondContact O-N 2.77Å; V299-M302 HydrophobicContact CB-CE 3.58Å; V299-M302 HydrophobicContact CG1-CE 3.99Å; V299-M302 HydrophobicContact CG1-CG 4.4Å; V299-M302 HydrophobicContact CG2-CE 3.82Å; V299-M302 PolarHBondContact O-N 2.92Å; V299-D303 PolarHBondContact O-N 3.43Å
300	N	98.6	Very high	98.5	Very high	6 Å²	6	28.3 Å²	28.3	3%	0.032	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-61	-36.5	-174.9	-76.5	-17.5	0	0	0	113.7	Q49 V53 M298 M302 D303	Q49-N300 VanDerWaalsContact NE2-CG 3.32Å; Q49-N300 PolarHBondContact NE2-ND2 2.76Å; Q49-N300 PolarHBondContact NE2-OD1 2.72Å; Q49-N300 PolarHBondContact O-ND2 3.24Å; Q49-N300 VanDerWaalsContact OE1-N 3.13Å; V53-N300 HydrophobicContact CB-CB 3.99Å; V53-N300 HydrophobicContact CG1-CB 3.99Å; V53-N300 VanDerWaalsContact CG1-CG 3.5Å; V53-N300 HydrophobicContact CG2-CB 4.46Å; M298-N300 PolarHBondContact O-N 3.29Å; N300-M302 PolarHBondContact O-N 3.12Å; N300-D303 WeakPolarHBondContact O-CB 3.16Å; N300-D303 PolarHBondContact O-N 3.32Å; N300-D303 VanDerWaalsContact O-N 3.12Å
301	S	98.3	Very high	98.5	Very high	50 Å²	50	23.2 Å²	23.2	35%	0.35	12%	0.123	S	C	.	.	G	3₁₀ helix	trans	-69.3	-17.5	178.6	63	0	0	0	0	113.9	S19 V299	S19-S301 WeakPolarHBondContact CB-O 3.38Å; V299-S301 VanDerWaalsContact C-N 3.33Å; V299-S301 VanDerWaalsContact CG1-OG 3.27Å; V299-S301 WeakPolarHBondContact CG1-OG 3.41Å; V299-S301 PolarHBondContact O-N 2.77Å
302	M	98.5	Very high	98.6	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	-94.7	-1.3	174.2	-69.5	-166.8	-80.8	0	0	113.2	A20 F23 M292 I293 F296 V299 N300 Q304 S305 T308	A20-M302 HydrophobicContact CB-SD 3.98Å; F23-M302 HydrophobicContact CD1-CE 4.17Å; M292-M302 HydrophobicContact CE-CB 4.19Å; M292-M302 HydrophobicContact CE-CG 4.3Å; M292-M302 HydrophobicContact CE-SD 3.65Å; I293-M302 HydrophobicContact CD1-CE 3.92Å; I293-M302 HydrophobicContact CD1-SD 3.88Å; I293-M302 HydrophobicContact CG1-CE 3.9Å; I293-M302 HydrophobicContact CG1-SD 3.7Å; F296-M302 HydrophobicContact CB-CE 4.42Å; F296-M302 HydrophobicContact CB-SD 4.34Å; V299-M302 HydrophobicContact CB-CE 3.58Å; V299-M302 HydrophobicContact CG1-CE 3.99Å; V299-M302 HydrophobicContact CG1-CG 4.4Å; V299-M302 HydrophobicContact CG2-CE 3.82Å; V299-M302 PolarHBondContact O-N 2.92Å; N300-M302 PolarHBondContact O-N 3.12Å; M302-Q304 VanDerWaalsContact C-N 3.33Å; M302-Q304 PolarHBondContact O-N 3.12Å; M302-S305 WeakPolarHBondContact O-CB 3.27Å; M302-S305 PolarHBondContact O-N 3.28Å; M302-S305 VanDerWaalsContact O-N 3.09Å; M302-S305 PolarHBondContact O-OG 3.25Å; M302-T308 WeakPolarHBondContact O-CB 3.4Å; M302-T308 PolarHBondContact O-OG1 3.41Å
303	D	98.5	Very high	98.6	Very high	7 Å²	7	27.1 Å²	27.1	4%	0.037	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.2	-51.5	-175.5	174	45.3	0	0	0	112.8	V53 K108 V299 N300 S305 T308 R309	V53-D303 HydrophobicContact CG2-CB 3.73Å; V53-D303 WeakPolarHBondContact CG2-OD2 3.34Å; K108-D303 WeakPolarHBondContact CE-OD1 3.44Å; K108-D303 IonicContact NZ-OD1 3.44Å; K108-D303 PolarHBondContact NZ-OD1 3.25Å; V299-D303 PolarHBondContact O-N 3.43Å; N300-D303 WeakPolarHBondContact O-CB 3.16Å; N300-D303 PolarHBondContact O-N 3.32Å; N300-D303 VanDerWaalsContact O-N 3.12Å; D303-S305 VanDerWaalsContact C-N 3.26Å; D303-S305 PolarHBondContact O-N 3.4Å; D303-T308 WeakPolarHBondContact O-CG2 3.25Å; D303-R309 PolarHBondContact O-NE 3.33Å; D303-R309 PolarHBondContact O-NH2 2.85Å; D303-R309 IonicContact OD1-CZ 3.36Å; D303-R309 IonicContact OD1-NE 3.18Å; D303-R309 PolarHBondContact OD1-NE 3Å; D303-R309 IonicContact OD1-NH1 2.82Å; D303-R309 IonicContact OD1-NH2 2.69Å; D303-R309 PolarHBondContact OD1-NH2 2.81Å
304	Q	98.2	Very high	98.6	Very high	135 Å²	135	29.5 Å²	29.5	63%	0.631	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.9	11.8	-174.2	-63.4	-63.5	-49.8	0	0	114	M302	M302-Q304 VanDerWaalsContact C-N 3.33Å; M302-Q304 PolarHBondContact O-N 3.12Å
305	S	98.5	Very high	98.6	Very high	5 Å²	5	29.4 Å²	29.4	4%	0.035	16%	0.157	C	C	.	.	S	Bend	trans	-65.3	148.3	169.2	95.8	0	0	0	0	110	E17 S19 M292 M302 D303 A307 T308 R309	E17-S305 WeakPolarHBondContact OE2-CA 3.32Å; E17-S305 VanDerWaalsContact OE2-CB 3.22Å; E17-S305 WeakPolarHBondContact OE2-CB 3.39Å; S19-S305 WeakPolarHBondContact OG-CB 3.11Å; M292-S305 WeakPolarHBondContact CE-OG 3.33Å; M292-S305 PolarHBondContact SD-OG 2.83Å; M292-S305 VanDerWaalsContact SD-OG 3.39Å; M302-S305 WeakPolarHBondContact O-CB 3.27Å; M302-S305 PolarHBondContact O-N 3.28Å; M302-S305 VanDerWaalsContact O-N 3.09Å; M302-S305 PolarHBondContact O-OG 3.25Å; D303-S305 VanDerWaalsContact C-N 3.26Å; D303-S305 PolarHBondContact O-N 3.4Å; S305-A307 VanDerWaalsContact C-N 3.32Å; S305-A307 PolarHBondContact O-N 3.24Å; S305-T308 PolarHBondContact O-N 3.09Å; S305-T308 VanDerWaalsContact OG-CB 3.26Å; S305-T308 WeakPolarHBondContact OG-CB 3.41Å; S305-T308 PolarHBondContact OG-N 2.99Å; S305-T308 PolarHBondContact OG-OG1 3.39Å; S305-R309 WeakPolarHBondContact O-CG 3.43Å; S305-R309 PolarHBondContact O-N 3.45Å
306	H	98.7	Very high	98.6	Very high	158 Å²	158	29.2 Å²	29.2	73%	0.731	16%	0.156	S	C	*	.	H	α-helix	trans	-63.6	-42.8	-177.2	-65.4	-59.1	0	0	0	111	E17 A310	E17-H306 WeakPolarHBondContact OE1-CB 3.36Å; E17-H306 PolarHBondContact OE1-N 3.23Å; E17-H306 IonicContact OE2-CD2 3.9Å; E17-H306 PolarHBondContact OE2-N 2.97Å; H306-A310 WeakPolarHBondContact O-CB 3.44Å; H306-A310 PolarHBondContact O-N 2.78Å
307	A	98.6	Very high	98.6	Very high	10 Å²	10	32.7 Å²	32.7	8%	0.083	18%	0.175	C	C	.	.	H	α-helix	trans	-62.4	-42.7	174.7	0	0	0	0	0	112.9	E17 F289 M292 S305 A310 A311	E17-A307 WeakPolarHBondContact OE1-CB 3.28Å; E17-A307 PolarHBondContact OE1-N 3.36Å; F289-A307 HydrophobicContact CB-CB 4.14Å; F289-A307 HydrophobicContact CD1-CB 4.1Å; F289-A307 VanDerWaalsContact CD1-O 3.32Å; F289-A307 WeakPolarHBondContact CD1-O 3.39Å; M292-A307 HydrophobicContact CG-CB 3.27Å; M292-A307 HydrophobicContact SD-CB 3.85Å; S305-A307 VanDerWaalsContact C-N 3.32Å; S305-A307 PolarHBondContact O-N 3.24Å; A307-A310 PolarHBondContact O-N 2.77Å; A307-A311 WeakPolarHBondContact O-CB 3.39Å; A307-A311 PolarHBondContact O-N 3.48Å
308	T	98.7	Very high	98.6	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-65.1	-44.7	178.2	-63.7	0	0	0	0	111.3	F296 M302 D303 S305 A310 A311 M312	F296-T308 VanDerWaalsContact O-CG2 3.25Å; F296-T308 WeakPolarHBondContact O-CG2 3.42Å; F296-T308 PolarHBondContact O-OG1 3.36Å; M302-T308 WeakPolarHBondContact O-CB 3.4Å; M302-T308 PolarHBondContact O-OG1 3.41Å; D303-T308 WeakPolarHBondContact O-CG2 3.25Å; S305-T308 PolarHBondContact O-N 3.09Å; S305-T308 VanDerWaalsContact OG-CB 3.26Å; S305-T308 WeakPolarHBondContact OG-CB 3.41Å; S305-T308 PolarHBondContact OG-N 2.99Å; S305-T308 PolarHBondContact OG-OG1 3.39Å; T308-A310 VanDerWaalsContact C-N 3.35Å; T308-A310 PolarHBondContact O-N 3.29Å; T308-A311 WeakPolarHBondContact O-CB 3.22Å; T308-A311 PolarHBondContact O-N 2.8Å; T308-M312 WeakPolarHBondContact O-CG 3.4Å; T308-M312 PolarHBondContact O-N 3.26Å
309	R	98.6	Very high	98.6	Very high	53 Å²	53	33.2 Å²	33.2	20%	0.2	18%	0.176	C	C	.	.	H	α-helix	trans	-60.3	-45	175	-65.2	-60.9	84.5	-145.9	-8	111.5	K108 E112 D303 S305 A311 M312 D313	K108-R309 VanDerWaalsContact NZ-NH2 3.17Å; E112-R309 IonicContact OE1-CZ 3.5Å; E112-R309 IonicContact OE1-NH1 3.69Å; E112-R309 PolarHBondContact OE1-NH1 2.75Å; E112-R309 IonicContact OE1-NH2 2.97Å; E112-R309 IonicContact OE2-CZ 3.65Å; E112-R309 IonicContact OE2-NH1 3.22Å; E112-R309 PolarHBondContact OE2-NH1 2.9Å; E112-R309 IonicContact OE2-NH2 3.53Å; E112-R309 PolarHBondContact OE2-NH2 3.31Å; D303-R309 PolarHBondContact O-NE 3.33Å; D303-R309 PolarHBondContact O-NH2 2.85Å; D303-R309 IonicContact OD1-CZ 3.36Å; D303-R309 IonicContact OD1-NE 3.18Å; D303-R309 PolarHBondContact OD1-NE 3Å; D303-R309 IonicContact OD1-NH1 2.82Å; D303-R309 IonicContact OD1-NH2 2.69Å; D303-R309 PolarHBondContact OD1-NH2 2.81Å; S305-R309 WeakPolarHBondContact O-CG 3.43Å; S305-R309 PolarHBondContact O-N 3.45Å; R309-A311 VanDerWaalsContact C-N 3.33Å; R309-A311 PolarHBondContact O-N 3.21Å; R309-M312 VanDerWaalsContact NH2-CG 3.35Å; R309-M312 PolarHBondContact O-N 3.09Å; R309-D313 VanDerWaalsContact O-CG 3.22Å; R309-D313 PolarHBondContact O-N 3.35Å
310	A	98.8	Very high	98.5	Very high	42 Å²	42	35.4 Å²	35.4	35%	0.347	19%	0.188	S	C	.	.	H	α-helix	trans	-61.4	-39.5	175.7	0	0	0	0	0	112.5	F289 H306 A307 T308 D313 V314	F289-A310 HydrophobicContact CE1-CB 3.88Å; H306-A310 WeakPolarHBondContact O-CB 3.44Å; H306-A310 PolarHBondContact O-N 2.78Å; A307-A310 PolarHBondContact O-N 2.77Å; T308-A310 VanDerWaalsContact C-N 3.35Å; T308-A310 PolarHBondContact O-N 3.29Å; A310-D313 PolarHBondContact O-N 3.11Å; A310-V314 WeakPolarHBondContact O-CG1 3.37Å; A310-V314 PolarHBondContact O-N 3.42Å
311	A	98.8	Very high	98.3	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-63.5	-42.1	176.3	0	0	0	0	0	112.7	L259 F289 F296 V297 A307 T308 R309 V314 S315	L259-A311 HydrophobicContact CD2-CB 4.02Å; F289-A311 HydrophobicContact CD1-CB 4.19Å; F289-A311 HydrophobicContact CD2-CB 4.09Å; F289-A311 HydrophobicContact CE1-CB 3.78Å; F289-A311 HydrophobicContact CE2-CB 3.68Å; F289-A311 HydrophobicContact CG-CB 4.34Å; F289-A311 HydrophobicContact CZ-CB 3.52Å; F296-A311 HydrophobicContact CE2-CB 3.58Å; F296-A311 HydrophobicContact CZ-CB 4.26Å; V297-A311 HydrophobicContact CG1-CB 4.08Å; A307-A311 WeakPolarHBondContact O-CB 3.39Å; A307-A311 PolarHBondContact O-N 3.48Å; T308-A311 WeakPolarHBondContact O-CB 3.22Å; T308-A311 PolarHBondContact O-N 2.8Å; R309-A311 VanDerWaalsContact C-N 3.33Å; R309-A311 PolarHBondContact O-N 3.21Å; A311-V314 WeakPolarHBondContact O-CG1 3.36Å; A311-S315 VanDerWaalsContact O-CB 3.31Å; A311-S315 WeakPolarHBondContact O-CB 3.5Å; A311-S315 PolarHBondContact O-N 2.97Å; A311-S315 PolarHBondContact O-OG 2.94Å
312	M	98.8	Very high	97.9	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-67.4	-38.5	174.7	-65.5	-48.1	-63	0	0	111.9	L109 E112 L113 R116 V297 T308 R309 S315 T316	L109-M312 HydrophobicContact CD1-CE 3.49Å; L109-M312 VanDerWaalsContact CD1-CE 3.49Å; L109-M312 HydrophobicContact CD1-SD 3.7Å; E112-M312 HydrophobicContact CB-CE 4.19Å; E112-M312 HydrophobicContact CG-CE 3.7Å; E112-M312 WeakPolarHBondContact OE1-CB 3.09Å; L113-M312 HydrophobicContact CD2-CE 4.27Å; L113-M312 HydrophobicContact CG-CE 4.5Å; R116-M312 VanDerWaalsContact NH1-CB 3.34Å; V297-M312 HydrophobicContact CB-SD 4.1Å; V297-M312 HydrophobicContact CG1-SD 4.11Å; T308-M312 WeakPolarHBondContact O-CG 3.4Å; T308-M312 PolarHBondContact O-N 3.26Å; R309-M312 VanDerWaalsContact NH2-CG 3.35Å; R309-M312 PolarHBondContact O-N 3.09Å; M312-S315 WeakPolarHBondContact CA-OG 3.41Å; M312-S315 PolarHBondContact O-OG 3.48Å; M312-T316 HydrophobicContact CE-CG2 4.48Å; M312-T316 WeakPolarHBondContact O-CB 3.21Å; M312-T316 VanDerWaalsContact O-CG2 3.28Å; M312-T316 WeakPolarHBondContact O-CG2 3.49Å; M312-T316 PolarHBondContact O-N 2.9Å; M312-T316 PolarHBondContact O-OG1 3.15Å
313	D	98.7	Very high	97.4	Very high	86 Å²	86	43.9 Å²	43.9	46%	0.46	22%	0.216	S	C	.	.	H	α-helix	trans	-61.5	-52.4	175.2	-68.2	-9.8	0	0	0	112.2	R116 R309 A310 S315 T316 D317	R116-D313 IonicContact CZ-OD1 3.26Å; R116-D313 IonicContact NH1-OD1 3.1Å; R116-D313 PolarHBondContact NH1-OD1 3.37Å; R116-D313 VanDerWaalsContact NH2-CA 3.32Å; R116-D313 IonicContact NH2-OD1 3.6Å; R116-D313 PolarHBondContact NH2-OD1 3.24Å; R309-D313 VanDerWaalsContact O-CG 3.22Å; R309-D313 PolarHBondContact O-N 3.35Å; A310-D313 PolarHBondContact O-N 3.11Å; D313-S315 PolarHBondContact O-N 3.49Å; D313-T316 PolarHBondContact O-OG1 3.32Å; D313-D317 VanDerWaalsContact O-CB 3.25Å; D313-D317 WeakPolarHBondContact O-CB 3.19Å; D313-D317 PolarHBondContact O-N 3.08Å
314	V	98.6	Very high	96.4	Very high	51 Å²	51	54.5 Å²	54.5	31%	0.309	26%	0.262	S	S	.	.	H	α-helix	trans	-67.6	-37.8	-177.9	68.4	0	0	0	0	112	M257 L259 F289 A310 A311 W318	M257-V314 HydrophobicContact CE-CB 4.05Å; M257-V314 HydrophobicContact CE-CG1 3.5Å; M257-V314 VanDerWaalsContact CE-CG1 3.5Å; M257-V314 HydrophobicContact CE-CG2 3.68Å; L259-V314 HydrophobicContact CD2-CG1 4.06Å; F289-V314 HydrophobicContact CZ-CG1 3.83Å; A310-V314 WeakPolarHBondContact O-CG1 3.37Å; A310-V314 PolarHBondContact O-N 3.42Å; A311-V314 WeakPolarHBondContact O-CG1 3.36Å; V314-W318 WeakPolarHBondContact O-CB 3.39Å; V314-W318 PolarHBondContact O-N 3.23Å
315	S	98.7	Very high	96.3	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-70.4	-44.4	-179.1	52.7	0	0	0	0	112.4	Y194 A311 M312 D313 W318 L319	Y194-S315 WeakPolarHBondContact OH-CB 3.45Å; Y194-S315 PolarHBondContact OH-OG 3.34Å; A311-S315 VanDerWaalsContact O-CB 3.31Å; A311-S315 WeakPolarHBondContact O-CB 3.5Å; A311-S315 PolarHBondContact O-N 2.97Å; A311-S315 PolarHBondContact O-OG 2.94Å; M312-S315 WeakPolarHBondContact CA-OG 3.41Å; M312-S315 PolarHBondContact O-OG 3.48Å; D313-S315 PolarHBondContact O-N 3.49Å; S315-W318 PolarHBondContact O-N 2.94Å; S315-L319 WeakPolarHBondContact O-CG 3.46Å; S315-L319 PolarHBondContact O-N 3.43Å
316	T	98.6	Very high	96.2	Very high	4 Å²	4	52.8 Å²	52.8	3%	0.025	26%	0.255	C	S	.	.	H	α-helix	trans	-70.8	-38.3	179.1	58.7	0	0	0	0	112.4	L113 R116 T117 M312 D313 L319 N320	L113-T316 HydrophobicContact CD2-CG2 4.2Å; R116-T316 HydrophobicContact CB-CG2 3.81Å; R116-T316 PolarHBondContact NE-OG1 3.32Å; R116-T316 PolarHBondContact NH2-OG1 2.93Å; T117-T316 HydrophobicContact CG2-CG2 3.93Å; M312-T316 HydrophobicContact CE-CG2 4.48Å; M312-T316 WeakPolarHBondContact O-CB 3.21Å; M312-T316 VanDerWaalsContact O-CG2 3.28Å; M312-T316 WeakPolarHBondContact O-CG2 3.49Å; M312-T316 PolarHBondContact O-N 2.9Å; M312-T316 PolarHBondContact O-OG1 3.15Å; D313-T316 PolarHBondContact O-OG1 3.32Å; T316-L319 PolarHBondContact O-N 2.94Å; T316-N320 WeakPolarHBondContact O-CB 3.36Å; T316-N320 VanDerWaalsContact O-CG 3.27Å; T316-N320 PolarHBondContact O-N 2.94Å; T316-N320 PolarHBondContact O-ND2 3.42Å
317	D	98.3	Very high	96.1	Very high	74 Å²	74	47 Å²	47	40%	0.396	23%	0.228	S	C	.	.	H	α-helix	trans	-65.3	-38.8	172.8	-179.8	61.4	0	0	0	111.9	D313 L319 N320 K321	D313-D317 VanDerWaalsContact O-CB 3.25Å; D313-D317 WeakPolarHBondContact O-CB 3.19Å; D313-D317 PolarHBondContact O-N 3.08Å; D317-L319 PolarHBondContact O-N 2.94Å; D317-N320 PolarHBondContact O-N 3.18Å; D317-K321 WeakPolarHBondContact O-CG 3.48Å; D317-K321 PolarHBondContact O-N 3.45Å; D317-K321 IonicContact OD1-NZ 3.32Å; D317-K321 WeakPolarHBondContact OD2-CE 3.37Å; D317-K321 IonicContact OD2-NZ 3.72Å; D317-K321 PolarHBondContact OD2-NZ 3.49Å
318	W	98.4	Very high	95.9	Very high	14 Å²	14	49.2 Å²	49.2	5%	0.053	24%	0.237	C	C	.	.	H	α-helix	trans	-62.4	-41.2	175.3	179.9	98.3	0	0	0	112.6	Q190 A255 M257 T285 V314 S315 R322	Q190-W318 HydrophobicContact CB-CH2 3.87Å; Q190-W318 HydrophobicContact CB-CZ3 4.03Å; Q190-W318 HydrophobicContact CG-CH2 4.08Å; Q190-W318 HydrophobicContact CG-CZ3 4.31Å; A255-W318 HydrophobicContact CB-CZ2 4.28Å; A255-W318 WeakPolarHBondContact O-CH2 3.31Å; M257-W318 HydrophobicContact CB-CD2 3.76Å; M257-W318 HydrophobicContact CB-CE3 3.85Å; M257-W318 HydrophobicContact CB-CG 4.36Å; M257-W318 HydrophobicContact CB-CH2 3.96Å; M257-W318 HydrophobicContact CB-CZ2 3.87Å; M257-W318 HydrophobicContact CB-CZ3 3.93Å; M257-W318 HydrophobicContact CG-CD2 4.36Å; M257-W318 HydrophobicContact CG-CG 4.48Å; M257-W318 HydrophobicContact SD-CB 3.57Å; M257-W318 VanDerWaalsContact SD-CB 3.57Å; M257-W318 HydrophobicContact SD-CD2 3.83Å; M257-W318 HydrophobicContact SD-CE3 4.15Å; M257-W318 HydrophobicContact SD-CG 3.56Å; M257-W318 VanDerWaalsContact SD-CG 3.56Å; T285-W318 PolarHBondContact OG1-NE1 2.86Å; V314-W318 WeakPolarHBondContact O-CB 3.39Å; V314-W318 PolarHBondContact O-N 3.23Å; S315-W318 PolarHBondContact O-N 2.94Å; W318-R322 VanDerWaalsContact NE1-CZ 3.34Å
319	L	98.3	Very high	95.8	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-63.8	-50.4	172.6	-71.9	177.6	0	0	0	111.1	I90 L113 T117 T162 L192 S315 T316 D317 K321 R322 N323	I90-L319 HydrophobicContact CD1-CD1 4.07Å; L113-L319 HydrophobicContact CD2-CD1 4.24Å; T117-L319 HydrophobicContact CG2-CB 3.93Å; T117-L319 HydrophobicContact CG2-CD1 3.73Å; T117-L319 HydrophobicContact CG2-CG 4.47Å; T162-L319 HydrophobicContact CG2-CD2 3.76Å; L192-L319 HydrophobicContact CD2-CD1 3.68Å; L192-L319 HydrophobicContact CD2-CD2 4.5Å; L192-L319 HydrophobicContact CD2-CG 4.23Å; S315-L319 WeakPolarHBondContact O-CG 3.46Å; S315-L319 PolarHBondContact O-N 3.43Å; T316-L319 PolarHBondContact O-N 2.94Å; D317-L319 PolarHBondContact O-N 2.94Å; L319-K321 VanDerWaalsContact C-N 3.26Å; L319-K321 PolarHBondContact O-N 2.94Å; L319-R322 CarbonylContact O-C 3.53Å; L319-R322 PolarHBondContact O-N 3.07Å; L319-N323 PolarHBondContact O-N 3.27Å
320	N	97.3	Very high	95.6	Very high	49 Å²	49	52.2 Å²	52.2	26%	0.262	26%	0.255	S	S	.	.	H	α-helix	trans	-59	-33.1	-178.2	-79.6	-31.6	0	0	0	114.1	R116 T117 T316 D317 R322 K324	R116-N320 PolarHBondContact O-ND2 3.23Å; T117-N320 VanDerWaalsContact CA-OD1 3.23Å; T117-N320 WeakPolarHBondContact CA-OD1 3.33Å; T117-N320 PolarHBondContact O-OD1 3.18Å; T316-N320 WeakPolarHBondContact O-CB 3.36Å; T316-N320 VanDerWaalsContact O-CG 3.27Å; T316-N320 PolarHBondContact O-N 2.94Å; T316-N320 PolarHBondContact O-ND2 3.42Å; D317-N320 PolarHBondContact O-N 3.18Å; N320-R322 PolarHBondContact O-N 3.31Å; N320-K324 WeakPolarHBondContact O-CG 2.8Å
321	K	95.4	Very high	95.4	Very high	128 Å²	128	52.9 Å²	52.9	56%	0.557	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-22.2	176.1	-77.5	168.8	176.5	163.4	0	113.5	D317 L319	D317-K321 WeakPolarHBondContact O-CG 3.48Å; D317-K321 PolarHBondContact O-N 3.45Å; D317-K321 IonicContact OD1-NZ 3.32Å; D317-K321 WeakPolarHBondContact OD2-CE 3.37Å; D317-K321 IonicContact OD2-NZ 3.72Å; D317-K321 PolarHBondContact OD2-NZ 3.49Å; L319-K321 VanDerWaalsContact C-N 3.26Å; L319-K321 PolarHBondContact O-N 2.94Å
322	R	89.6	Confident	95.1	Very high	94 Å²	94	57 Å²	57	36%	0.355	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108	-14.7	-177.5	-72.1	172.7	170.7	75.9	-1.5	113.3	Q190 W318 L319 N320 K324	Q190-R322 HydrophobicContact CG-CB 4.29Å; W318-R322 VanDerWaalsContact NE1-CZ 3.34Å; L319-R322 CarbonylContact O-C 3.53Å; L319-R322 PolarHBondContact O-N 3.07Å; N320-R322 PolarHBondContact O-N 3.31Å; R322-K324 PolarHBondContact O-N 2.89Å
323	N	88	Confident	94.8	Very high	12 Å²	12	61.8 Å²	61.8	6%	0.064	29%	0.29	C	S	.	.			trans	-73.1	-7.8	167	-75.6	-7.9	0	0	0	112.9	P88 T117 S119 R160 L319	P88-N323 HydrophobicContact CG-CB 4.27Å; P88-N323 WeakPolarHBondContact CG-ND2 3.04Å; T117-N323 PolarHBondContact O-ND2 2.9Å; S119-N323 PolarHBondContact OG-ND2 2.79Å; R160-N323 VanDerWaalsContact CD-O 3.3Å; R160-N323 WeakPolarHBondContact CD-O 3.29Å; R160-N323 PolarHBondContact NH1-O 2.85Å; L319-N323 PolarHBondContact O-N 3.27Å
324	K	77.6	Confident	94.4	Very high	229 Å²	229	59.5 Å²	59.5	100%	0.996	27%	0.274	S	S	*	.			trans	-87.7	0	-179.7	-71.4	175	-173.4	-178.2	0	113	N320 R322	N320-K324 WeakPolarHBondContact O-CG 2.8Å; R322-K324 PolarHBondContact O-N 2.89Å

Retrieved 324 of 324 residues in 430.8 ms (Link to these results)

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