A0A087XAZ7_POEFO Loading...

Xaa-Pro aminopeptidase 1

Metalloaminopeptidase that catalyzes the removal of a penultimate prolyl residue from the N-termini of peptides, such as Arg-Pro-Pro. Contributes to the degradation of bradykinin.

AlphaFold DB , UniProt , Accession A0A087XAZ7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 629 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	34.5	Very low	38.7	Very low	248 Å²	248	133.5 Å²	133.5	100%	1.222	78%	0.776	S	S	*	*				0	112.3	0	-80.8	176	-175.8	0	0	107.1
2	A	30.7	Very low	42.6	Very low	103 Å²	103	126.5 Å²	126.5	85%	0.851	74%	0.738	S	S	*	*			trans	-66.4	128.1	177.1	0	0	0	0	0	109.4
3	S	27.9	Very low	46.3	Very low	105 Å²	105	122.7 Å²	122.7	73%	0.734	71%	0.707	S	S	*	*			trans	-101.9	100.9	158	79.1	0	0	0	0	106.5	K5	S3-K5 PolarHBondContact O-N 2.99Å
4	Q	29	Very low	49.8	Very low	191 Å²	191	124.8 Å²	124.8	89%	0.893	71%	0.712	S	S	*	*			trans	-51.3	107.7	163.3	-78.8	167.4	-40.7	0	0	107.6	S6	Q4-S6 PolarHBondContact O-N 3.19Å
5	K	30.1	Very low	53	Low	196 Å²	196	116.5 Å²	116.5	85%	0.852	67%	0.665	S	S	*	*			trans	-72	104.4	158	-80.2	-176.3	175.3	-177.5	0	104.9	S3	S3-K5 PolarHBondContact O-N 2.99Å
6	S	30.5	Very low	55.7	Low	94 Å²	94	111 Å²	111	66%	0.657	64%	0.642	S	S	*	*			trans	-54.7	133.6	172	52.2	0	0	0	0	109.9	Q4 T8	Q4-S6 PolarHBondContact O-N 3.19Å; S6-T8 PolarHBondContact O-N 2.98Å
7	D	35.6	Very low	58.1	Low	161 Å²	161	110.5 Å²	110.5	86%	0.861	63%	0.633	S	S	*	*			trans	-46.4	104.1	162.9	-69.8	-44	0	0	0	109.8	A9	D7-A9 PolarHBondContact O-N 3.45Å
8	T	36.1	Very low	60.3	Low	118 Å²	118	106 Å²	106	72%	0.724	61%	0.606	S	S	*	*			trans	-81.5	78.7	166.4	47.5	0	0	0	0	107.6	S6	S6-T8 PolarHBondContact O-N 2.98Å
9	A	46	Very low	62.3	Low	85 Å²	85	100.5 Å²	100.5	70%	0.702	57%	0.574	S	S	*	*			trans	-51.8	141.4	159.8	0	0	0	0	0	108.7	D7 S11	D7-A9 PolarHBondContact O-N 3.45Å; A9-S11 PolarHBondContact O-N 3.06Å
10	M	54.7	Low	64.1	Low	63 Å²	63	101.1 Å²	101.1	31%	0.31	57%	0.567	S	S	.	*			trans	-47.6	112	173.6	-86.4	-165.1	-79.8	0	0	108.8	P12 Q94 L408 E410	M10-P12 WeakPolarHBondContact O-CD 3.35Å; M10-Q94 HydrophobicContact CE-CG 4.28Å; M10-Q94 HydrophobicContact SD-CG 4.45Å; M10-L408 HydrophobicContact CE-CD1 4.05Å; M10-L408 HydrophobicContact SD-CD1 4.23Å; M10-E410 HydrophobicContact CG-CG 4.07Å
11	S	70.4	Confident	65.7	Low	105 Å²	105	98.9 Å²	98.9	73%	0.734	55%	0.553	S	S	*	*	P	Polyproline II helix	trans	-67.7	122.7	168	57.5	0	0	0	0	106.5	A9	A9-S11 PolarHBondContact O-N 3.06Å
12	P	85.9	Confident	68.6	Low	49 Å²	49	87 Å²	87	32%	0.318	50%	0.495	S	S	.	.	P	Polyproline II helix	trans	-58.3	152.1	-179.6	24.6	-34.2	0	0	0	110.4	M10 I14 Q94 M95 D96	M10-P12 WeakPolarHBondContact O-CD 3.35Å; P12-I14 PolarHBondContact O-N 3.49Å; P12-Q94 WeakPolarHBondContact CA-O 3.06Å; P12-Q94 WeakPolarHBondContact CB-O 3.36Å; P12-M95 VanDerWaalsContact CB-O 3.29Å; P12-M95 WeakPolarHBondContact CB-O 3.48Å; P12-D96 HydrophobicContact CB-CB 4.05Å; P12-D96 HydrophobicContact CG-CB 4.1Å
13	K	90.9	Very high	71.8	Confident	77 Å²	77	85 Å²	85	34%	0.335	47%	0.466	S	S	.	.	B	Isolated β-bridge	trans	-58.9	125.6	176.3	-175.9	177.8	-176.7	174.1	0	108.8	T15 F61 Q94 D96	K13-T15 HydrophobicContact CB-CG2 4.31Å; K13-T15 HydrophobicContact CD-CG2 4.27Å; K13-T15 HydrophobicContact CG-CG2 4.07Å; K13-T15 WeakPolarHBondContact O-CG2 3.44Å; K13-T15 PolarHBondContact O-N 2.97Å; K13-F61 PolarHBondContact NZ-O 3.19Å; K13-Q94 PolarHBondContact N-O 2.73Å; K13-D96 WeakPolarHBondContact O-CB 3.49Å
14	I	95.3	Very high	75.1	Confident	152 Å²	152	85.6 Å²	85.6	78%	0.779	46%	0.457	S	S	*	.			trans	-75.1	109	174.8	-57.7	175.9	0	0	0	108.2	P12	P12-I14 PolarHBondContact O-N 3.49Å
15	T	97	Very high	78.2	Confident	0 Å²	0	77.4 Å²	77.4	0%	0	42%	0.419	C	S	.	.			trans	-106.9	-1.3	-172.1	61.3	0	0	0	0	113.9	K13 E17 L18 L19 I62 D96 W99	K13-T15 HydrophobicContact CB-CG2 4.31Å; K13-T15 HydrophobicContact CD-CG2 4.27Å; K13-T15 HydrophobicContact CG-CG2 4.07Å; K13-T15 WeakPolarHBondContact O-CG2 3.44Å; K13-T15 PolarHBondContact O-N 2.97Å; T15-E17 VanDerWaalsContact C-N 3.34Å; T15-E17 PolarHBondContact O-N 3.25Å; T15-L18 PolarHBondContact O-N 3.39Å; T15-L18 VanDerWaalsContact O-N 3.07Å; T15-L19 WeakPolarHBondContact O-CG 3.46Å; T15-L19 PolarHBondContact O-N 3.28Å; T15-I62 WeakPolarHBondContact CG2-O 3.29Å; T15-D96 PolarHBondContact N-OD2 3.08Å; T15-D96 PolarHBondContact OG1-OD1 3.49Å; T15-D96 VanDerWaalsContact OG1-OD1 3.1Å; T15-D96 PolarHBondContact OG1-OD2 3.43Å; T15-W99 PolarHBondContact OG1-NE1 3.42Å
16	G	96.9	Very high	81.3	Confident	29 Å²	29	68.2 Å²	68.2	30%	0.299	38%	0.379	S	S	.	.	H	α-helix	trans	-53.8	-44.5	-175.9	0	0	0	0	0	114.3	R20	G16-R20 WeakPolarHBondContact O-CB 3.38Å; G16-R20 PolarHBondContact O-N 2.96Å
17	E	96.8	Very high	84.3	Confident	103 Å²	103	70.4 Å²	70.4	48%	0.481	37%	0.373	S	S	.	.	H	α-helix	trans	-71.2	-37.8	177.7	-179	57.4	-165.4	0	0	112.4	T15 R20 L21	T15-E17 VanDerWaalsContact C-N 3.34Å; T15-E17 PolarHBondContact O-N 3.25Å; E17-R20 WeakPolarHBondContact O-CB 3.38Å; E17-R20 PolarHBondContact O-N 2.98Å; E17-R20 IonicContact OE1-CZ 2.63Å; E17-R20 IonicContact OE1-NE 3.07Å; E17-R20 PolarHBondContact OE1-NE 2.93Å; E17-R20 IonicContact OE1-NH2 3.91Å; E17-R20 PolarHBondContact OE1-NH2 3.44Å; E17-R20 IonicContact OE2-CZ 2.63Å; E17-R20 IonicContact OE2-NE 2.85Å; E17-R20 PolarHBondContact OE2-NE 3.44Å; E17-R20 IonicContact OE2-NH2 3.42Å; E17-L21 HydrophobicContact CG-CD1 4.27Å; E17-L21 WeakPolarHBondContact O-CG 3.49Å; E17-L21 PolarHBondContact O-N 2.92Å
18	L	97.3	Very high	86.8	Confident	29 Å²	29	64.8 Å²	64.8	15%	0.152	35%	0.347	C	S	.	.	H	α-helix	trans	-63.3	-43.9	176.1	-65.4	177.4	0	0	0	111.3	T15 R20 L21 L22 F61 I62	T15-L18 PolarHBondContact O-N 3.39Å; T15-L18 VanDerWaalsContact O-N 3.07Å; L18-R20 VanDerWaalsContact C-N 3.33Å; L18-R20 PolarHBondContact O-N 2.87Å; L18-L21 PolarHBondContact O-N 3.27Å; L18-L22 WeakPolarHBondContact O-CB 3.37Å; L18-L22 PolarHBondContact O-N 2.77Å; L18-F61 HydrophobicContact CD1-CE1 4.36Å; L18-F61 HydrophobicContact CD1-CZ 4.26Å; L18-F61 HydrophobicContact CD2-CE1 4.03Å; L18-F61 HydrophobicContact CD2-CE2 4.49Å; L18-F61 HydrophobicContact CD2-CZ 3.65Å; L18-I62 HydrophobicContact CB-CD1 3.86Å
19	L	98.1	Very high	89	Confident	1 Å²	1	63.5 Å²	63.5	1%	0.005	34%	0.342	C	S	.	.	H	α-helix	trans	-63.2	-39.3	174.7	-71.2	172.5	0	0	0	111.5	T15 L22 R23 I62 I74 A79 N98 W99	T15-L19 WeakPolarHBondContact O-CG 3.46Å; T15-L19 PolarHBondContact O-N 3.28Å; L19-L22 PolarHBondContact O-N 2.99Å; L19-R23 WeakPolarHBondContact O-CB 3.37Å; L19-R23 WeakPolarHBondContact O-CD 3.42Å; L19-R23 VanDerWaalsContact O-CG 3.23Å; L19-R23 WeakPolarHBondContact O-CG 3.37Å; L19-R23 PolarHBondContact O-N 3.1Å; L19-I62 HydrophobicContact CD2-CD1 4.42Å; L19-I62 HydrophobicContact CD2-CG1 4.4Å; L19-I74 HydrophobicContact CD2-CG1 3.88Å; L19-I74 HydrophobicContact CD2-CG2 4Å; L19-A79 HydrophobicContact CD1-CB 4.11Å; L19-A79 HydrophobicContact CD2-CB 3.99Å; L19-N98 HydrophobicContact CD1-CB 3.57Å; L19-W99 HydrophobicContact CD2-CH2 4.46Å; L19-W99 HydrophobicContact CD2-CZ2 3.87Å
20	R	97.8	Very high	90.9	Very high	113 Å²	113	67 Å²	67	43%	0.426	34%	0.341	S	S	.	.	H	α-helix	trans	-61.2	-47.5	175.1	-167.7	-162.2	68.1	69.3	-0.9	111.3	G16 E17 L18 R23 Q24	G16-R20 WeakPolarHBondContact O-CB 3.38Å; G16-R20 PolarHBondContact O-N 2.96Å; E17-R20 WeakPolarHBondContact O-CB 3.38Å; E17-R20 PolarHBondContact O-N 2.98Å; E17-R20 IonicContact OE1-CZ 2.63Å; E17-R20 IonicContact OE1-NE 3.07Å; E17-R20 PolarHBondContact OE1-NE 2.93Å; E17-R20 IonicContact OE1-NH2 3.91Å; E17-R20 PolarHBondContact OE1-NH2 3.44Å; E17-R20 IonicContact OE2-CZ 2.63Å; E17-R20 IonicContact OE2-NE 2.85Å; E17-R20 PolarHBondContact OE2-NE 3.44Å; E17-R20 IonicContact OE2-NH2 3.42Å; L18-R20 VanDerWaalsContact C-N 3.33Å; L18-R20 PolarHBondContact O-N 2.87Å; R20-R23 PolarHBondContact O-N 3.36Å; R20-Q24 VanDerWaalsContact NH1-OE1 3.08Å; R20-Q24 PolarHBondContact O-N 3.36Å
21	L	97.3	Very high	92.1	Very high	54 Å²	54	66 Å²	66	28%	0.283	33%	0.334	S	S	.	.	H	α-helix	trans	-63.1	-46	177.8	-71.4	170.4	0	0	0	111.6	E17 L18 R23 Q24 V25 V163	E17-L21 HydrophobicContact CG-CD1 4.27Å; E17-L21 WeakPolarHBondContact O-CG 3.49Å; E17-L21 PolarHBondContact O-N 2.92Å; L18-L21 PolarHBondContact O-N 3.27Å; L21-R23 PolarHBondContact O-N 2.81Å; L21-Q24 WeakPolarHBondContact O-CB 3.36Å; L21-Q24 PolarHBondContact O-N 3.17Å; L21-V25 WeakPolarHBondContact O-CG2 3.37Å; L21-V25 PolarHBondContact O-N 3.19Å; L21-V163 HydrophobicContact CB-CB 4.34Å; L21-V163 HydrophobicContact CB-CG1 3.84Å
22	L	97.3	Very high	92.5	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-61.1	-46.2	178	-178.9	59.6	0	0	0	111.6	L18 L19 Q24 V25 M26 Y39 I62 I74 L159 I160	L18-L22 WeakPolarHBondContact O-CB 3.37Å; L18-L22 PolarHBondContact O-N 2.77Å; L19-L22 PolarHBondContact O-N 2.99Å; L22-Q24 VanDerWaalsContact C-N 3.26Å; L22-Q24 PolarHBondContact O-N 3.43Å; L22-V25 CarbonylContact O-C 3.57Å; L22-V25 PolarHBondContact O-N 2.92Å; L22-M26 HydrophobicContact CG-SD 4.23Å; L22-M26 VanDerWaalsContact O-CG 3.29Å; L22-M26 WeakPolarHBondContact O-CG 3.22Å; L22-M26 PolarHBondContact O-N 3.19Å; L22-Y39 HydrophobicContact CD1-CD1 4.33Å; L22-I62 HydrophobicContact CB-CD1 4.39Å; L22-I62 HydrophobicContact CD2-CD1 3.93Å; L22-I62 HydrophobicContact CD2-CG1 3.99Å; L22-I74 HydrophobicContact CD2-CB 4.21Å; L22-I74 HydrophobicContact CD2-CD1 4Å; L22-I74 HydrophobicContact CD2-CG1 3.96Å; L22-I74 HydrophobicContact CD2-CG2 4.3Å; L22-L159 HydrophobicContact CD1-CB 3.72Å; L22-I160 HydrophobicContact CD1-CD1 3.94Å; L22-I160 HydrophobicContact CD2-CD1 3.71Å; L22-I160 HydrophobicContact CG-CD1 4.44Å
23	R	97.5	Very high	92	Very high	61 Å²	61	65.1 Å²	65.1	23%	0.23	33%	0.325	C	S	.	.	H	α-helix	trans	-61.8	-33.2	176.2	-73.8	168.6	176.8	154.8	-1.8	112.7	L19 R20 L21 M26 I74 T75 E76 H78	L19-R23 WeakPolarHBondContact O-CB 3.37Å; L19-R23 WeakPolarHBondContact O-CD 3.42Å; L19-R23 VanDerWaalsContact O-CG 3.23Å; L19-R23 WeakPolarHBondContact O-CG 3.37Å; L19-R23 PolarHBondContact O-N 3.1Å; R20-R23 PolarHBondContact O-N 3.36Å; L21-R23 PolarHBondContact O-N 2.81Å; R23-M26 HydrophobicContact CG-SD 4.33Å; R23-I74 HydrophobicContact CG-CG2 4.33Å; R23-T75 PolarHBondContact NE-O 2.72Å; R23-E76 PolarHBondContact NE-O 3.2Å; R23-H78 PolarHBondContact NH2-O 2.92Å
24	Q	95.7	Very high	91.6	Very high	117 Å²	117	66.5 Å²	66.5	55%	0.547	33%	0.333	S	S	.	.	H	α-helix	trans	-66.2	-43.6	172.5	-178	178.1	-10.3	0	0	111.1	R20 L21 L22 M26 R27 S28	R20-Q24 VanDerWaalsContact NH1-OE1 3.08Å; R20-Q24 PolarHBondContact O-N 3.36Å; L21-Q24 WeakPolarHBondContact O-CB 3.36Å; L21-Q24 PolarHBondContact O-N 3.17Å; L22-Q24 VanDerWaalsContact C-N 3.26Å; L22-Q24 PolarHBondContact O-N 3.43Å; Q24-M26 VanDerWaalsContact C-N 3.35Å; Q24-R27 PolarHBondContact O-N 3.09Å; Q24-S28 PolarHBondContact O-N 2.87Å
25	V	95.5	Very high	91.4	Very high	18 Å²	18	61.9 Å²	61.9	11%	0.109	31%	0.313	C	S	.	.	H	α-helix	trans	-66.1	-36	177	173.8	0	0	0	0	111.7	L21 L22 R27 S28 Y31 F32 L159 V162 V163	L21-V25 WeakPolarHBondContact O-CG2 3.37Å; L21-V25 PolarHBondContact O-N 3.19Å; L22-V25 CarbonylContact O-C 3.57Å; L22-V25 PolarHBondContact O-N 2.92Å; V25-R27 PolarHBondContact O-N 3.33Å; V25-R27 VanDerWaalsContact O-N 3.11Å; V25-S28 WeakPolarHBondContact O-CB 2.94Å; V25-S28 PolarHBondContact O-N 3.06Å; V25-S28 VanDerWaalsContact O-N 3.08Å; V25-Y31 HydrophobicContact CG1-CD2 3.73Å; V25-Y31 HydrophobicContact CG1-CE2 3.74Å; V25-F32 VanDerWaalsContact O-CE1 3.31Å; V25-F32 WeakPolarHBondContact O-CE1 3.26Å; V25-F32 WeakPolarHBondContact O-CZ 3.48Å; V25-L159 HydrophobicContact CG1-CB 4.07Å; V25-L159 HydrophobicContact CG1-CD1 4.25Å; V25-L159 HydrophobicContact CG1-CD2 3.72Å; V25-L159 HydrophobicContact CG1-CG 4.21Å; V25-V162 HydrophobicContact CG1-CB 4.42Å; V25-V162 HydrophobicContact CG1-CG1 4.14Å; V25-V162 HydrophobicContact CG2-CG1 3.87Å; V25-V163 HydrophobicContact CG2-CG1 3.84Å
26	M	95.4	Very high	91.4	Very high	3 Å²	3	61.9 Å²	61.9	2%	0.015	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-13.3	173.2	-70.8	167.4	60.7	0	0	114.6	L22 R23 Q24 F32 I36 I74 L159	L22-M26 HydrophobicContact CG-SD 4.23Å; L22-M26 VanDerWaalsContact O-CG 3.29Å; L22-M26 WeakPolarHBondContact O-CG 3.22Å; L22-M26 PolarHBondContact O-N 3.19Å; R23-M26 HydrophobicContact CG-SD 4.33Å; Q24-M26 VanDerWaalsContact C-N 3.35Å; M26-F32 WeakPolarHBondContact O-CZ 3.5Å; M26-I36 HydrophobicContact CB-CD1 4.41Å; M26-I36 HydrophobicContact CB-CG1 3.86Å; M26-I36 HydrophobicContact CE-CG1 4.47Å; M26-I36 HydrophobicContact CG-CD1 4.07Å; M26-I36 HydrophobicContact CG-CG1 4.03Å; M26-I36 PolarHBondContact O-N 3.49Å; M26-I74 HydrophobicContact SD-CG2 4.34Å; M26-L159 HydrophobicContact CG-CD1 4.09Å
27	R	92.3	Very high	91.4	Very high	140 Å²	140	63 Å²	63	53%	0.528	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.6	-9.7	174.4	-65.1	176.9	174.7	173.6	-1.4	114.5	Q24 V25 C29 E76	Q24-R27 PolarHBondContact O-N 3.09Å; V25-R27 PolarHBondContact O-N 3.33Å; V25-R27 VanDerWaalsContact O-N 3.11Å; R27-C29 PolarHBondContact O-N 3.06Å; R27-E76 IonicContact CZ-OE1 3.89Å; R27-E76 IonicContact NE-OE1 2.71Å; R27-E76 PolarHBondContact NE-OE1 3.25Å; R27-E76 VanDerWaalsContact NH2-CD 3.25Å; R27-E76 IonicContact NH2-OE1 2.79Å; R27-E76 PolarHBondContact NH2-OE1 2.87Å; R27-E76 IonicContact NH2-OE2 2.81Å; R27-E76 PolarHBondContact NH2-OE2 3.31Å
28	S	88.7	Confident	91.5	Very high	43 Å²	43	58.1 Å²	58.1	30%	0.301	29%	0.288	S	S	.	.			trans	-74.7	113.2	-179.3	-180	0	0	0	0	113.6	Q24 V25 K30 Y31 F32	Q24-S28 PolarHBondContact O-N 2.87Å; V25-S28 WeakPolarHBondContact O-CB 2.94Å; V25-S28 PolarHBondContact O-N 3.06Å; V25-S28 VanDerWaalsContact O-N 3.08Å; S28-K30 PolarHBondContact O-N 3.19Å; S28-K30 WeakPolarHBondContact OG-CB 3.4Å; S28-K30 PolarHBondContact OG-N 2.93Å; S28-Y31 PolarHBondContact O-N 3.48Å; S28-Y31 VanDerWaalsContact O-N 3.15Å; S28-F32 VanDerWaalsContact C-CZ 3.47Å; S28-F32 VanDerWaalsContact N-CZ 3.26Å; S28-F32 WeakPolarHBondContact O-CE2 3.48Å; S28-F32 WeakPolarHBondContact O-CZ 3.42Å
29	C	82.2	Confident	91.5	Very high	92 Å²	92	56.8 Å²	56.8	62%	0.622	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-0.9	173.6	-60.5	0	0	0	0	114.9	R27 Y31 F32	R27-C29 PolarHBondContact O-N 3.06Å; C29-Y31 VanDerWaalsContact C-N 3.31Å; C29-F32 CarbonylContact C-O 3.48Å; C29-F32 VanDerWaalsContact CA-O 3.26Å; C29-F32 WeakPolarHBondContact CA-O 3.08Å; C29-F32 VanDerWaalsContact O-O 3.08Å
30	K	85.3	Confident	91.5	Very high	157 Å²	157	57 Å²	57	68%	0.683	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-34.1	170.8	-179.3	179.8	168.8	-167.2	0	112	S28	S28-K30 PolarHBondContact O-N 3.19Å; S28-K30 WeakPolarHBondContact OG-CB 3.4Å; S28-K30 PolarHBondContact OG-N 2.93Å
31	Y	81.1	Confident	91.5	Very high	43 Å²	43	51.6 Å²	51.6	17%	0.169	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.1	-11.6	-170.3	-54.9	-71.7	0	0	0	113.4	V25 S28 C29 D157 L159 V162	V25-Y31 HydrophobicContact CG1-CD2 3.73Å; V25-Y31 HydrophobicContact CG1-CE2 3.74Å; S28-Y31 PolarHBondContact O-N 3.48Å; S28-Y31 VanDerWaalsContact O-N 3.15Å; C29-Y31 VanDerWaalsContact C-N 3.31Å; Y31-D157 HydrophobicContact CD1-CB 3.92Å; Y31-D157 HydrophobicContact CE1-CB 4.46Å; Y31-L159 HydrophobicContact CD2-CD2 4.43Å; Y31-L159 HydrophobicContact CG-CD2 4.08Å; Y31-V162 HydrophobicContact CD1-CG2 4.44Å; Y31-V162 HydrophobicContact CE1-CG2 3.71Å; Y31-V162 HydrophobicContact CE2-CG1 4.21Å; Y31-V162 WeakPolarHBondContact OH-CG1 3.2Å
32	F	77.3	Confident	91.4	Very high	28 Å²	28	49.6 Å²	49.6	12%	0.123	25%	0.252	C	S	.	.			trans	-155.7	156.8	-179.9	36.7	-101.2	0	0	0	110.3	V25 M26 S28 C29 E34 P35 I36	V25-F32 VanDerWaalsContact O-CE1 3.31Å; V25-F32 WeakPolarHBondContact O-CE1 3.26Å; V25-F32 WeakPolarHBondContact O-CZ 3.48Å; M26-F32 WeakPolarHBondContact O-CZ 3.5Å; S28-F32 VanDerWaalsContact C-CZ 3.47Å; S28-F32 VanDerWaalsContact N-CZ 3.26Å; S28-F32 WeakPolarHBondContact O-CE2 3.48Å; S28-F32 WeakPolarHBondContact O-CZ 3.42Å; C29-F32 CarbonylContact C-O 3.48Å; C29-F32 VanDerWaalsContact CA-O 3.26Å; C29-F32 WeakPolarHBondContact CA-O 3.08Å; C29-F32 VanDerWaalsContact O-O 3.08Å; F32-E34 VanDerWaalsContact C-N 3.26Å; F32-E34 WeakPolarHBondContact CD2-O 3.46Å; F32-E34 WeakPolarHBondContact CG-O 3.4Å; F32-E34 PolarHBondContact O-N 3.06Å; F32-P35 VanDerWaalsContact CE2-CA 3.48Å; F32-P35 HydrophobicContact CE2-CB 4.43Å; F32-I36 HydrophobicContact CE1-CG1 4.37Å
33	S	75.9	Confident	91.1	Very high	107 Å²	107	50.4 Å²	50.4	75%	0.748	26%	0.257	S	S	*	.	S	Bend	trans	-67.8	-27.9	176	53.7	0	0	0	0	112.9
34	E	83.2	Confident	90.7	Very high	106 Å²	106	48.4 Å²	48.4	50%	0.495	26%	0.256	S	S	.	.	S	Bend	trans	-145.7	145.8	-179.7	-70.5	172.3	-126.7	0	0	110.6	F32 K125	F32-E34 VanDerWaalsContact C-N 3.26Å; F32-E34 WeakPolarHBondContact CD2-O 3.46Å; F32-E34 WeakPolarHBondContact CG-O 3.4Å; F32-E34 PolarHBondContact O-N 3.06Å; E34-K125 HydrophobicContact CB-CD 4.37Å; E34-K125 IonicContact OE1-NZ 2.69Å; E34-K125 PolarHBondContact OE1-NZ 3.1Å; E34-K125 VanDerWaalsContact OE1-NZ 3.1Å; E34-K125 WeakPolarHBondContact OE2-CE 3.3Å; E34-K125 IonicContact OE2-NZ 3.48Å; E34-K125 PolarHBondContact OE2-NZ 2.87Å
35	P	91.3	Very high	90.6	Very high	55 Å²	55	42.9 Å²	42.9	36%	0.357	23%	0.23	S	C	.	.			trans	-49.6	143.4	178.1	-28.8	36.3	0	0	0	114.6	F32	F32-P35 VanDerWaalsContact CE2-CA 3.48Å; F32-P35 HydrophobicContact CE2-CB 4.43Å
36	I	95.5	Very high	90.7	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.005	23%	0.229	C	C	.	.			trans	-99.9	145.6	170.7	62.4	173.3	0	0	0	110.2	M26 F32 Y39 K125 V153 V155 L159	M26-I36 HydrophobicContact CB-CD1 4.41Å; M26-I36 HydrophobicContact CB-CG1 3.86Å; M26-I36 HydrophobicContact CE-CG1 4.47Å; M26-I36 HydrophobicContact CG-CD1 4.07Å; M26-I36 HydrophobicContact CG-CG1 4.03Å; M26-I36 PolarHBondContact O-N 3.49Å; F32-I36 HydrophobicContact CE1-CG1 4.37Å; I36-Y39 HydrophobicContact CD1-CD2 3.63Å; I36-Y39 HydrophobicContact CD1-CE2 4.49Å; I36-Y39 HydrophobicContact CD1-CG 4.28Å; I36-K125 HydrophobicContact CG2-CB 4.16Å; I36-V153 HydrophobicContact CG2-CG2 3.65Å; I36-V155 HydrophobicContact CD1-CG2 4.4Å; I36-L159 HydrophobicContact CD1-CD1 3.79Å
37	H	97.6	Very high	90.8	Very high	53 Å²	53	42.6 Å²	42.6	25%	0.245	23%	0.229	C	C	.	.	S	Bend	trans	-98.8	-21.8	-175	-61.1	72.2	0	0	0	112	T75 E76 L120 K125	H37-T75 VanDerWaalsContact O-CA 3.31Å; H37-T75 WeakPolarHBondContact O-CA 3.31Å; H37-E76 PolarHBondContact O-N 2.81Å; H37-L120 HydrophobicContact CB-CD2 3.8Å; H37-K125 PolarHBondContact N-O 3.38Å; H37-K125 PolarHBondContact ND1-N 3.04Å
38	A	98.3	Very high	90.8	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	152.7	170.2	0	0	0	0	0	111.2	I74 T75 L116 L120 K125 V126 G127	A38-I74 CarbonylContact C-O 3.38Å; A38-I74 WeakPolarHBondContact CA-O 3.41Å; A38-T75 HydrophobicContact CB-CG2 4.01Å; A38-L116 HydrophobicContact CB-CD2 3.65Å; A38-L120 HydrophobicContact CB-CD1 4.48Å; A38-L120 HydrophobicContact CB-CD2 4.13Å; A38-K125 PolarHBondContact N-O 3.25Å; A38-V126 HydrophobicContact CB-CG1 4.07Å; A38-V126 HydrophobicContact CB-CG2 4.25Å; A38-G127 PolarHBondContact O-N 2.95Å
39	Y	98.4	Very high	91	Very high	1 Å²	1	37.4 Å²	37.4	0%	0.004	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	127	172.9	-166.1	-116.2	0	0	0	110.3	L22 I36 V41 I74 G127 V155 L159 I160	L22-Y39 HydrophobicContact CD1-CD1 4.33Å; I36-Y39 HydrophobicContact CD1-CD2 3.63Å; I36-Y39 HydrophobicContact CD1-CE2 4.49Å; I36-Y39 HydrophobicContact CD1-CG 4.28Å; Y39-V41 HydrophobicContact CD1-CG2 3.64Å; Y39-V41 HydrophobicContact CE1-CG2 3.81Å; Y39-I74 PolarHBondContact N-O 3.15Å; Y39-I74 PolarHBondContact O-N 3.43Å; Y39-G127 WeakPolarHBondContact CA-O 3.34Å; Y39-G127 WeakPolarHBondContact CD2-O 3.47Å; Y39-V155 HydrophobicContact CE2-CB 4.17Å; Y39-V155 HydrophobicContact CE2-CG2 4.12Å; Y39-L159 HydrophobicContact CD1-CB 4.29Å; Y39-L159 HydrophobicContact CD1-CD1 4.49Å; Y39-L159 HydrophobicContact CD2-CD1 3.81Å; Y39-L159 HydrophobicContact CD2-CG 4.26Å; Y39-L159 HydrophobicContact CE1-CB 3.78Å; Y39-L159 HydrophobicContact CE1-CD1 4.49Å; Y39-L159 HydrophobicContact CE1-CG 4.18Å; Y39-L159 HydrophobicContact CE2-CB 4.3Å; Y39-L159 HydrophobicContact CE2-CD1 3.83Å; Y39-L159 HydrophobicContact CE2-CG 3.77Å; Y39-L159 HydrophobicContact CG-CD1 4.16Å; Y39-L159 PolarHBondContact OH-N 2.91Å; Y39-I160 HydrophobicContact CE1-CG1 4.34Å
40	I	98.5	Very high	91.2	Very high	4 Å²	4	35.7 Å²	35.7	2%	0.021	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	131.2	179.8	-55.9	171.6	0	0	0	108.8	T71 I73 L116 V126 G127 V128 M141 L152	I40-T71 HydrophobicContact CG2-CG2 3.78Å; I40-I73 HydrophobicContact CG1-CG1 4.36Å; I40-I73 HydrophobicContact CG1-CG2 4.43Å; I40-I73 HydrophobicContact CG2-CG1 4.46Å; I40-L116 HydrophobicContact CD1-CD1 4.29Å; I40-V126 HydrophobicContact CD1-CG1 3.66Å; I40-V126 HydrophobicContact CG1-CG1 3.84Å; I40-G127 PolarHBondContact N-O 2.8Å; I40-V128 HydrophobicContact CB-CB 4.09Å; I40-V128 HydrophobicContact CB-CG2 4Å; I40-V128 HydrophobicContact CG2-CG2 4.33Å; I40-M141 HydrophobicContact CD1-CE 4.23Å; I40-M141 HydrophobicContact CD1-CG 4.31Å; I40-M141 HydrophobicContact CD1-SD 4.31Å; I40-L152 HydrophobicContact CD1-CD1 4.17Å
41	V	97.8	Very high	91.4	Very high	1 Å²	1	30 Å²	30	1%	0.006	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	91	178.2	-170.8	0	0	0	0	108.4	Y39 R58 R59 A72 I74 I160	Y39-V41 HydrophobicContact CD1-CG2 3.64Å; Y39-V41 HydrophobicContact CE1-CG2 3.81Å; V41-R58 HydrophobicContact CG1-CB 4Å; V41-R59 HydrophobicContact CG1-CB 4.11Å; V41-A72 HydrophobicContact CB-CB 4.16Å; V41-A72 PolarHBondContact N-O 2.81Å; V41-A72 PolarHBondContact O-N 2.63Å; V41-I74 HydrophobicContact CG2-CD1 4.03Å; V41-I160 HydrophobicContact CG1-CG1 4.04Å; V41-I160 HydrophobicContact CG2-CD1 4Å; V41-I160 HydrophobicContact CG2-CG1 3.95Å
42	P	95.6	Very high	92	Very high	12 Å²	12	29.1 Å²	29.1	8%	0.078	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	165	174.5	31	-33.5	0	0	0	111.1	G44 I132	P42-G44 VanDerWaalsContact C-N 3.34Å; P42-I132 HydrophobicContact CG-CB 4.36Å; P42-I132 HydrophobicContact CG-CD1 4Å; P42-I132 HydrophobicContact CG-CG1 3.89Å; P42-I132 VanDerWaalsContact CG-O 3.27Å; P42-I132 WeakPolarHBondContact CG-O 3.37Å
43	S	91.1	Very high	92.8	Very high	16 Å²	16	27.8 Å²	27.8	11%	0.112	16%	0.158	C	C	.	.	S	Bend	trans	-70.8	-26	170.9	-77.7	0	0	0	0	114	I52 R59 G70	S43-I52 WeakPolarHBondContact O-CD1 3.48Å; S43-I52 WeakPolarHBondContact O-CG1 3.5Å; S43-R59 PolarHBondContact OG-NE 2.56Å; S43-R59 PolarHBondContact OG-NH2 3.41Å; S43-G70 PolarHBondContact N-O 3.26Å; S43-G70 VanDerWaalsContact N-O 3.1Å; S43-G70 PolarHBondContact OG-N 3.19Å; S43-G70 VanDerWaalsContact OG-N 3.14Å; S43-G70 PolarHBondContact OG-O 3.31Å; S43-G70 VanDerWaalsContact OG-O 3.08Å
44	G	87.3	Confident	93.7	Very high	20 Å²	20	25.8 Å²	25.8	21%	0.206	14%	0.142	C	C	.	.			trans	-67.2	158.4	-170.1	0	0	0	0	0	114.6	P42	P42-G44 VanDerWaalsContact C-N 3.34Å
45	D	94.8	Very high	94.3	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.118	C	C	.	.			trans	-98	-171.4	168.5	71.7	0.3	0	0	0	111.3	H47 Q48 S49 I52 D56	D45-H47 PolarHBondContact O-N 3.17Å; D45-H47 VanDerWaalsContact O-N 3.07Å; D45-H47 VanDerWaalsContact OD1-C 3.28Å; D45-H47 WeakPolarHBondContact OD1-CA 3.22Å; D45-H47 PolarHBondContact OD1-N 3.22Å; D45-Q48 PolarHBondContact O-N 3.15Å; D45-Q48 PolarHBondContact O-NE2 2.78Å; D45-Q48 VanDerWaalsContact O-NE2 3.13Å; D45-Q48 PolarHBondContact OD1-N 3.09Å; D45-S49 VanDerWaalsContact CG-OG 3.27Å; D45-S49 PolarHBondContact OD1-N 3.33Å; D45-S49 PolarHBondContact OD1-OG 2.98Å; D45-S49 VanDerWaalsContact OD2-CB 3.27Å; D45-S49 WeakPolarHBondContact OD2-CB 3.44Å; D45-S49 PolarHBondContact OD2-OG 3.03Å; D45-I52 HydrophobicContact CB-CD1 4.19Å; D45-D56 HydrophobicContact CB-CB 4.08Å
46	A	96.7	Very high	94.6	Very high	10 Å²	10	18.3 Å²	18.3	8%	0.083	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-7.8	179.7	0	0	0	0	0	114.8	Q48 W131 Y234	A46-Q48 PolarHBondContact O-NE2 2.79Å; A46-W131 WeakPolarHBondContact CA-O 3.49Å; A46-W131 HydrophobicContact CB-CB 4.45Å; A46-W131 HydrophobicContact CB-CE3 4.4Å; A46-Y234 VanDerWaalsContact CB-OH 3.3Å; A46-Y234 WeakPolarHBondContact CB-OH 3.2Å; A46-Y234 PolarHBondContact O-OH 3.45Å; A46-Y234 VanDerWaalsContact O-OH 3.06Å
47	H	97.5	Very high	94.6	Very high	6 Å²	6	19.4 Å²	19.4	3%	0.028	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.3	2.6	-177	-58.8	-81.4	0	0	0	113.3	D45 S49 T209 L211 F232 A233 Y234 Y277	D45-H47 PolarHBondContact O-N 3.17Å; D45-H47 VanDerWaalsContact O-N 3.07Å; D45-H47 VanDerWaalsContact OD1-C 3.28Å; D45-H47 WeakPolarHBondContact OD1-CA 3.22Å; D45-H47 PolarHBondContact OD1-N 3.22Å; H47-S49 PolarHBondContact O-N 2.93Å; H47-T209 WeakPolarHBondContact CB-O 3.19Å; H47-T209 PolarHBondContact ND1-O 2.94Å; H47-L211 HydrophobicContact CB-CD1 4.29Å; H47-L211 HydrophobicContact CB-CD2 3.97Å; H47-L211 HydrophobicContact CB-CG 3.73Å; H47-L211 VanDerWaalsContact ND1-CD2 3.29Å; H47-L211 WeakPolarHBondContact ND1-CD2 3.33Å; H47-F232 AromaticContact CD2-CD1 3.75Å; H47-F232 AromaticContact NE2-CD1 3.82Å; H47-A233 PolarHBondContact CE1-O 3.45Å; H47-Y234 AromaticContact CE1-CD1 3.86Å; H47-Y234 AromaticContact CE1-CD2 3.8Å; H47-Y234 AromaticContact CE1-CE1 3.38Å; H47-Y234 WeakPolarHBondContact CE1-CE1 3.46Å; H47-Y234 AromaticContact CE1-CE2 3.35Å; H47-Y234 WeakPolarHBondContact CE1-CE2 3.48Å; H47-Y234 AromaticContact CE1-CZ 3.11Å; H47-Y234 PolarHBondContact CE1-OH 2.77Å; H47-Y234 AromaticContact ND1-CE1 3.55Å; H47-Y234 AromaticContact ND1-CZ 3.66Å; H47-Y234 AromaticContact NE2-CE2 3.83Å; H47-Y234 AromaticContact NE2-CZ 3.73Å; H47-Y277 AromaticContact CE1-CE2 3.79Å; H47-Y277 AromaticContact NE2-CE2 3.39Å; H47-Y277 WeakPolarHBondContact NE2-CE2 3.06Å; H47-Y277 AromaticContact NE2-CZ 3.45Å; H47-Y277 PolarHBondContact NE2-OH 2.98Å
48	Q	93.3	Very high	94.6	Very high	55 Å²	55	17.5 Å²	17.5	26%	0.257	10%	0.101	S	C	.	.			trans	59.4	36.8	-177.9	-60.5	68.8	66.7	0	0	111.6	D45 A46 K302	D45-Q48 PolarHBondContact O-N 3.15Å; D45-Q48 PolarHBondContact O-NE2 2.78Å; D45-Q48 VanDerWaalsContact O-NE2 3.13Å; D45-Q48 PolarHBondContact OD1-N 3.09Å; A46-Q48 PolarHBondContact O-NE2 2.79Å; Q48-K302 VanDerWaalsContact CG-O 3.24Å; Q48-K302 WeakPolarHBondContact CG-O 3.43Å; Q48-K302 PolarHBondContact OE1-O 3.3Å
49	S	92.9	Very high	94.6	Very high	19 Å²	19	18.1 Å²	18.1	13%	0.133	10%	0.103	C	C	.	.			trans	-60.7	147.4	174.9	-55.4	0	0	0	0	111	D45 H47 Y51 I52	D45-S49 VanDerWaalsContact CG-OG 3.27Å; D45-S49 PolarHBondContact OD1-N 3.33Å; D45-S49 PolarHBondContact OD1-OG 2.98Å; D45-S49 VanDerWaalsContact OD2-CB 3.27Å; D45-S49 WeakPolarHBondContact OD2-CB 3.44Å; D45-S49 PolarHBondContact OD2-OG 3.03Å; H47-S49 PolarHBondContact O-N 2.93Å; S49-Y51 WeakPolarHBondContact CB-O 3.45Å; S49-I52 WeakPolarHBondContact O-CD1 3.5Å
50	E	85.4	Confident	94.4	Very high	55 Å²	55	21.5 Å²	21.5	26%	0.257	12%	0.119	S	C	.	.	S	Bend	trans	-78.2	-55	175.8	179.2	-174.4	-160.8	0	0	111.7	H507	E50-H507 IonicContact OE1-CE1 3.69Å; E50-H507 PolarHBondContact OE1-CE1 3.35Å; E50-H507 VanDerWaalsContact OE1-CE1 3.29Å; E50-H507 IonicContact OE1-CG 2.71Å; E50-H507 IonicContact OE1-ND1 2.69Å; E50-H507 PolarHBondContact OE1-ND1 2.77Å; E50-H507 WeakPolarHBondContact OE2-CB 3.35Å; E50-H507 IonicContact OE2-CE1 2.75Å; E50-H507 IonicContact OE2-CG 2.95Å; E50-H507 IonicContact OE2-ND1 3.64Å; E50-H507 PolarHBondContact OE2-ND1 3.12Å
51	Y	89.5	Confident	94.4	Very high	38 Å²	38	22.3 Å²	22.3	15%	0.149	12%	0.122	C	C	.	.	S	Bend	trans	-85.7	142.2	166.1	-60.3	-63.3	0	0	0	108.8	S49 I225 Y227 F390	S49-Y51 WeakPolarHBondContact CB-O 3.45Å; Y51-I225 VanDerWaalsContact O-CG2 3.24Å; Y51-I225 WeakPolarHBondContact O-CG2 3.41Å; Y51-Y227 HydrophobicContact CD1-CD2 4.33Å; Y51-Y227 HydrophobicContact CD2-CD2 4.29Å; Y51-Y227 HydrophobicContact CG-CD2 4.23Å; Y51-F390 HydrophobicContact CE2-CB 4.37Å; Y51-F390 WeakPolarHBondContact OH-CB 3.32Å
52	I	93.3	Very high	94.4	Very high	25 Å²	25	22.3 Å²	22.3	13%	0.128	12%	0.122	C	C	.	.			trans	-118.5	139.1	-169.9	-52.1	-65.1	0	0	0	109	S43 D45 S49 D56	S43-I52 WeakPolarHBondContact O-CD1 3.48Å; S43-I52 WeakPolarHBondContact O-CG1 3.5Å; D45-I52 HydrophobicContact CB-CD1 4.19Å; S49-I52 WeakPolarHBondContact O-CD1 3.5Å; I52-D56 VanDerWaalsContact CG2-C 3.45Å; I52-D56 HydrophobicContact CG2-CB 3.32Å
53	A	95.4	Very high	94.4	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.118	C	C	.	.			trans	-63.6	151.6	172.4	0	0	0	0	0	110.7	C55 D56 C57 P171 I225 F232	A53-C55 PolarHBondContact O-N 3.14Å; A53-C55 VanDerWaalsContact O-N 3.08Å; A53-D56 PolarHBondContact O-N 2.98Å; A53-C57 PolarHBondContact O-N 3.2Å; A53-C57 PolarHBondContact O-SG 3.45Å; A53-P171 HydrophobicContact CB-CG 4.08Å; A53-I225 HydrophobicContact CB-CD1 3.99Å; A53-F232 HydrophobicContact CB-CE2 4.12Å; A53-F232 HydrophobicContact CB-CZ 3.81Å
54	P	95	Very high	94.6	Very high	64 Å²	64	21.7 Å²	21.7	42%	0.416	12%	0.12	S	C	.	.	G	3₁₀ helix	trans	-51.9	-37.5	179.8	-29.6	35.8	0	0	0	114	D56 C57 W164 P168	P54-D56 PolarHBondContact O-N 3.27Å; P54-C57 PolarHBondContact O-N 3.15Å; P54-W164 WeakPolarHBondContact O-CH2 3.49Å; P54-P168 HydrophobicContact CB-CB 4.17Å; P54-P168 HydrophobicContact CB-CG 4.01Å
55	C	96.1	Very high	94.9	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.11	C	C	.	.	G	3₁₀ helix	trans	-65.1	-20.2	177.8	66.6	0	0	0	0	114.5	A53 R167 P168	A53-C55 PolarHBondContact O-N 3.14Å; A53-C55 VanDerWaalsContact O-N 3.08Å; C55-R167 VanDerWaalsContact O-CZ 3.28Å; C55-R167 PolarHBondContact O-NE 3.36Å; C55-R167 PolarHBondContact O-NH2 3.12Å; C55-P168 WeakPolarHBondContact CB-O 3.29Å
56	D	97.1	Very high	94.7	Very high	4 Å²	4	23.2 Å²	23.2	2%	0.021	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-106.9	0.5	-178.2	-70.8	-42.9	0	0	0	112.3	D45 I52 A53 P54 R58 R167 R170	D45-D56 HydrophobicContact CB-CB 4.08Å; I52-D56 VanDerWaalsContact CG2-C 3.45Å; I52-D56 HydrophobicContact CG2-CB 3.32Å; A53-D56 PolarHBondContact O-N 2.98Å; P54-D56 PolarHBondContact O-N 3.27Å; D56-R58 PolarHBondContact O-N 3.09Å; D56-R58 IonicContact OD1-CZ 2.81Å; D56-R58 IonicContact OD1-NH1 3.05Å; D56-R58 PolarHBondContact OD1-NH1 3.07Å; D56-R58 IonicContact OD1-NH2 3.87Å; D56-R58 PolarHBondContact OD1-NH2 3.32Å; D56-R167 IonicContact OD1-NH2 3.96Å; D56-R167 PolarHBondContact OD1-NH2 2.94Å; D56-R170 IonicContact OD1-NH2 2.77Å; D56-R170 IonicContact OD2-CZ 3.27Å; D56-R170 IonicContact OD2-NH1 3.75Å; D56-R170 PolarHBondContact OD2-NH1 3.3Å; D56-R170 IonicContact OD2-NH2 3.68Å; D56-R170 PolarHBondContact OD2-NH2 3.39Å
57	C	95.9	Very high	94.3	Very high	24 Å²	24	22.9 Å²	22.9	16%	0.162	12%	0.121	C	C	.	.			trans	-73.6	45	175.9	-66.7	0	0	0	0	113.1	A53 P54 R59 E60 F61	A53-C57 PolarHBondContact O-N 3.2Å; A53-C57 PolarHBondContact O-SG 3.45Å; P54-C57 PolarHBondContact O-N 3.15Å; C57-R59 VanDerWaalsContact C-N 3.35Å; C57-R59 PolarHBondContact O-N 3.04Å; C57-E60 HydrophobicContact CB-CB 4.25Å; C57-E60 WeakPolarHBondContact O-CB 3.44Å; C57-E60 PolarHBondContact O-N 2.96Å; C57-F61 PolarHBondContact O-N 3.35Å
58	R	97.4	Very high	93.8	Very high	14 Å²	14	24.1 Å²	24.1	5%	0.053	13%	0.131	C	C	.	.	H	α-helix	trans	-61.6	-40	-174.8	-67.6	172.7	178.3	105.8	-7.2	112.9	V41 D56 F61 I62 N158 I160 D161 W164	V41-R58 HydrophobicContact CG1-CB 4Å; D56-R58 PolarHBondContact O-N 3.09Å; D56-R58 IonicContact OD1-CZ 2.81Å; D56-R58 IonicContact OD1-NH1 3.05Å; D56-R58 PolarHBondContact OD1-NH1 3.07Å; D56-R58 IonicContact OD1-NH2 3.87Å; D56-R58 PolarHBondContact OD1-NH2 3.32Å; R58-F61 WeakPolarHBondContact O-CB 3.42Å; R58-F61 PolarHBondContact O-N 2.63Å; R58-I62 WeakPolarHBondContact O-CG2 3.29Å; R58-I62 PolarHBondContact O-N 2.99Å; R58-N158 VanDerWaalsContact CD-ND2 3.34Å; R58-N158 WeakPolarHBondContact CD-ND2 3.43Å; R58-N158 WeakPolarHBondContact CD-OD1 3.34Å; R58-N158 PolarHBondContact NE-ND2 3.5Å; R58-I160 HydrophobicContact CB-CB 4.06Å; R58-I160 HydrophobicContact CB-CG1 4.2Å; R58-I160 HydrophobicContact CB-CG2 3.82Å; R58-I160 HydrophobicContact CG-CB 4.16Å; R58-I160 HydrophobicContact CG-CG2 4.01Å; R58-D161 IonicContact CZ-OD1 2.73Å; R58-D161 IonicContact CZ-OD2 3.82Å; R58-D161 IonicContact NE-OD1 2.84Å; R58-D161 PolarHBondContact NE-OD1 3.32Å; R58-D161 IonicContact NE-OD2 3.54Å; R58-D161 PolarHBondContact NE-OD2 3.28Å; R58-D161 IonicContact NH2-OD1 2.72Å; R58-D161 IonicContact NH2-OD2 2.73Å; R58-D161 PolarHBondContact NH2-OD2 2.86Å; R58-W164 HydrophobicContact CG-CE3 4.38Å; R58-W164 HydrophobicContact CG-CZ3 4.02Å
59	R	96.9	Very high	93.7	Very high	13 Å²	13	22.7 Å²	22.7	5%	0.049	13%	0.128	C	C	.	.	H	α-helix	trans	-63.6	-46.5	176.2	172	-81.6	-43.4	-176.7	3.2	110.5	V41 S43 C57 F61 I62 C63 F65 G67 A72 M81	V41-R59 HydrophobicContact CG1-CB 4.11Å; S43-R59 PolarHBondContact OG-NE 2.56Å; S43-R59 PolarHBondContact OG-NH2 3.41Å; C57-R59 VanDerWaalsContact C-N 3.35Å; C57-R59 PolarHBondContact O-N 3.04Å; R59-F61 VanDerWaalsContact C-N 3.33Å; R59-F61 PolarHBondContact O-N 3.05Å; R59-I62 WeakPolarHBondContact O-CG2 3.27Å; R59-I62 PolarHBondContact O-N 3.11Å; R59-C63 PolarHBondContact O-N 3.35Å; R59-C63 VanDerWaalsContact O-N 3.1Å; R59-C63 PolarHBondContact O-SG 3.35Å; R59-F65 PolarHBondContact NH1-O 3.38Å; R59-G67 PolarHBondContact NH1-O 2.84Å; R59-G67 PolarHBondContact NH2-O 3.44Å; R59-A72 HydrophobicContact CG-CB 4.21Å; R59-M81 HydrophobicContact CG-CE 3.81Å; R59-M81 HydrophobicContact CG-SD 4.15Å
60	E	95.9	Very high	93.8	Very high	71 Å²	71	22.3 Å²	22.3	33%	0.332	13%	0.127	S	C	.	.	H	α-helix	trans	-59.7	-43.8	173.4	176.4	178.9	174.3	0	0	111.7	C57 I62 C63 G64 F65 N66	C57-E60 HydrophobicContact CB-CB 4.25Å; C57-E60 WeakPolarHBondContact O-CB 3.44Å; C57-E60 PolarHBondContact O-N 2.96Å; E60-I62 PolarHBondContact O-N 3.38Å; E60-C63 PolarHBondContact O-N 3.09Å; E60-G64 VanDerWaalsContact O-CA 3.32Å; E60-G64 WeakPolarHBondContact O-CA 3.38Å; E60-G64 PolarHBondContact O-N 3.19Å; E60-F65 VanDerWaalsContact CA-O 3.3Å; E60-F65 WeakPolarHBondContact CA-O 3.2Å; E60-N66 HydrophobicContact CG-CB 3.75Å; E60-N66 WeakPolarHBondContact OE1-CB 3.41Å
61	F	96.9	Very high	94.3	Very high	22 Å²	22	20.8 Å²	20.8	10%	0.096	12%	0.121	C	C	.	.	H	α-helix	trans	-57	-47.2	176.4	172.2	-93.9	0	0	0	112.4	K13 L18 C57 R58 R59 I160 V163 W164	K13-F61 PolarHBondContact NZ-O 3.19Å; L18-F61 HydrophobicContact CD1-CE1 4.36Å; L18-F61 HydrophobicContact CD1-CZ 4.26Å; L18-F61 HydrophobicContact CD2-CE1 4.03Å; L18-F61 HydrophobicContact CD2-CE2 4.49Å; L18-F61 HydrophobicContact CD2-CZ 3.65Å; C57-F61 PolarHBondContact O-N 3.35Å; R58-F61 WeakPolarHBondContact O-CB 3.42Å; R58-F61 PolarHBondContact O-N 2.63Å; R59-F61 VanDerWaalsContact C-N 3.33Å; R59-F61 PolarHBondContact O-N 3.05Å; F61-I160 HydrophobicContact CD1-CG2 3.58Å; F61-I160 HydrophobicContact CE1-CG2 4.15Å; F61-I160 HydrophobicContact CG-CG2 4.46Å; F61-V163 HydrophobicContact CE1-CG2 4.15Å; F61-W164 HydrophobicContact CB-CD2 4.18Å; F61-W164 HydrophobicContact CB-CE3 4.15Å; F61-W164 HydrophobicContact CB-CH2 4.04Å; F61-W164 HydrophobicContact CB-CZ2 4.1Å; F61-W164 HydrophobicContact CB-CZ3 4.09Å; F61-W164 HydrophobicContact CD1-CB 4.3Å; F61-W164 HydrophobicContact CD1-CD2 4.24Å; F61-W164 HydrophobicContact CD1-CE3 4.46Å; F61-W164 HydrophobicContact CD1-CG 4.2Å; F61-W164 AromaticContact CD2-CD1 3.53Å; F61-W164 AromaticContact CD2-CD2 3.71Å; F61-W164 HydrophobicContact CD2-CD2 3.71Å; F61-W164 AromaticContact CD2-CE2 3.51Å; F61-W164 HydrophobicContact CD2-CE3 4.49Å; F61-W164 AromaticContact CD2-CG 3.71Å; F61-W164 HydrophobicContact CD2-CG 3.71Å; F61-W164 HydrophobicContact CD2-CZ2 4.12Å; F61-W164 AromaticContact CD2-NE1 3.42Å; F61-W164 HydrophobicContact CE1-CB 3.91Å; F61-W164 HydrophobicContact CE1-CG 4.11Å; F61-W164 HydrophobicContact CE2-CB 4.14Å; F61-W164 AromaticContact CE2-CD1 3.26Å; F61-W164 HydrophobicContact CE2-CD2 4.14Å; F61-W164 AromaticContact CE2-CG 3.61Å; F61-W164 HydrophobicContact CE2-CG 3.61Å; F61-W164 AromaticContact CE2-NE1 3.6Å; F61-W164 AromaticContact CG-CD2 3.76Å; F61-W164 HydrophobicContact CG-CD2 3.76Å; F61-W164 AromaticContact CG-CE2 3.91Å; F61-W164 HydrophobicContact CG-CE3 4.11Å; F61-W164 HydrophobicContact CG-CG 4Å; F61-W164 HydrophobicContact CG-CZ2 4.35Å; F61-W164 HydrophobicContact CZ-CB 3.82Å; F61-W164 AromaticContact CZ-CD1 3.82Å; F61-W164 AromaticContact CZ-CG 3.82Å; F61-W164 HydrophobicContact CZ-CG 3.82Å
62	I	97.6	Very high	94.8	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-76.9	-29.2	-174.5	-166	57.5	0	0	0	113.6	T15 L18 L19 L22 R58 R59 E60 A72 I74 W99 I160	T15-I62 WeakPolarHBondContact CG2-O 3.29Å; L18-I62 HydrophobicContact CB-CD1 3.86Å; L19-I62 HydrophobicContact CD2-CD1 4.42Å; L19-I62 HydrophobicContact CD2-CG1 4.4Å; L22-I62 HydrophobicContact CB-CD1 4.39Å; L22-I62 HydrophobicContact CD2-CD1 3.93Å; L22-I62 HydrophobicContact CD2-CG1 3.99Å; R58-I62 WeakPolarHBondContact O-CG2 3.29Å; R58-I62 PolarHBondContact O-N 2.99Å; R59-I62 WeakPolarHBondContact O-CG2 3.27Å; R59-I62 PolarHBondContact O-N 3.11Å; E60-I62 PolarHBondContact O-N 3.38Å; I62-A72 HydrophobicContact CG2-CB 4.38Å; I62-I74 HydrophobicContact CG1-CD1 4.48Å; I62-W99 HydrophobicContact CG1-CH2 4.44Å; I62-W99 HydrophobicContact CG1-CZ2 4.21Å; I62-W99 HydrophobicContact CG2-CH2 4.08Å; I62-W99 HydrophobicContact CG2-CZ2 4.31Å; I62-W99 WeakPolarHBondContact O-CZ2 3.37Å; I62-I160 HydrophobicContact CB-CD1 4Å; I62-I160 HydrophobicContact CD1-CD1 4.25Å; I62-I160 HydrophobicContact CG1-CD1 4Å; I62-I160 HydrophobicContact CG2-CD1 4.44Å
63	C	96.2	Very high	95	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-117.3	-15.2	-171.7	76.5	0	0	0	0	116.1	R59 E60 F65 M81 W99	R59-C63 PolarHBondContact O-N 3.35Å; R59-C63 VanDerWaalsContact O-N 3.1Å; R59-C63 PolarHBondContact O-SG 3.35Å; E60-C63 PolarHBondContact O-N 3.09Å; C63-F65 PolarHBondContact O-N 3.13Å; C63-F65 PolarHBondContact SG-N 3.15Å; C63-M81 HydrophobicContact CB-CE 3.61Å; C63-M81 WeakPolarHBondContact SG-CE 3.26Å; C63-W99 HydrophobicContact CB-CD2 3.84Å; C63-W99 VanDerWaalsContact CB-CE2 3.43Å; C63-W99 HydrophobicContact CB-CE3 4.07Å; C63-W99 HydrophobicContact CB-CH2 3.61Å; C63-W99 HydrophobicContact CB-CZ2 3.33Å; C63-W99 HydrophobicContact CB-CZ3 3.97Å
64	G	94.4	Very high	95.2	Very high	15 Å²	15	17.8 Å²	17.8	16%	0.155	11%	0.108	C	C	.	.			trans	81.5	-19.6	-174.4	0	0	0	0	0	115.6	E60 N66	E60-G64 VanDerWaalsContact O-CA 3.32Å; E60-G64 WeakPolarHBondContact O-CA 3.38Å; E60-G64 PolarHBondContact O-N 3.19Å; G64-N66 PolarHBondContact O-N 2.69Å
65	F	94.2	Very high	95.3	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.09	C	C	.	.			trans	-72.8	126.7	175.9	164.8	-116.5	0	0	0	111	R59 E60 C63 G67 A69 M81 T83 Y87 Q90 A91 M95	R59-F65 PolarHBondContact NH1-O 3.38Å; E60-F65 VanDerWaalsContact CA-O 3.3Å; E60-F65 WeakPolarHBondContact CA-O 3.2Å; C63-F65 PolarHBondContact O-N 3.13Å; C63-F65 PolarHBondContact SG-N 3.15Å; F65-G67 VanDerWaalsContact CE2-N 3.3Å; F65-G67 VanDerWaalsContact CZ-CA 3.47Å; F65-A69 WeakPolarHBondContact CE1-O 3.26Å; F65-M81 HydrophobicContact CD1-CE 4.46Å; F65-M81 HydrophobicContact CD1-CG 4.25Å; F65-M81 HydrophobicContact CD1-SD 4.12Å; F65-T83 HydrophobicContact CZ-CG2 4.5Å; F65-Y87 HydrophobicContact CE2-CD1 4.29Å; F65-Y87 HydrophobicContact CE2-CG 4.19Å; F65-Y87 HydrophobicContact CZ-CD1 4.23Å; F65-Y87 HydrophobicContact CZ-CD2 4.27Å; F65-Y87 AromaticContact CZ-CG 3.79Å; F65-Y87 HydrophobicContact CZ-CG 3.79Å; F65-Q90 HydrophobicContact CD2-CG 4.23Å; F65-Q90 HydrophobicContact CE2-CB 4.42Å; F65-Q90 HydrophobicContact CE2-CG 4.06Å; F65-A91 HydrophobicContact CD2-CB 3.77Å; F65-A91 HydrophobicContact CE2-CB 3.95Å; F65-A91 HydrophobicContact CG-CB 4.13Å; F65-A91 HydrophobicContact CZ-CB 4.45Å; F65-M95 HydrophobicContact CB-CG 3.8Å; F65-M95 HydrophobicContact CB-SD 4.2Å
66	N	90.9	Very high	95.3	Very high	53 Å²	53	18.3 Å²	18.3	28%	0.283	11%	0.106	S	C	.	.			trans	-116.8	15.1	-173.4	72.5	-1.7	0	0	0	115	E60 G64 Q90 Q94	E60-N66 HydrophobicContact CG-CB 3.75Å; E60-N66 WeakPolarHBondContact OE1-CB 3.41Å; G64-N66 PolarHBondContact O-N 2.69Å; N66-Q90 PolarHBondContact OD1-NE2 3.43Å; N66-Q94 PolarHBondContact OD1-NE2 2.81Å; N66-Q94 PolarHBondContact OD1-OE1 3.2Å
67	G	88.4	Confident	95.3	Very high	3 Å²	3	25.3 Å²	25.3	3%	0.031	14%	0.138	C	C	.	.			trans	-63.7	161	172.1	0	0	0	0	0	112.2	R59 F65 A69	R59-G67 PolarHBondContact NH1-O 2.84Å; R59-G67 PolarHBondContact NH2-O 3.44Å; F65-G67 VanDerWaalsContact CE2-N 3.3Å; F65-G67 VanDerWaalsContact CZ-CA 3.47Å; G67-A69 VanDerWaalsContact C-N 3.33Å; G67-A69 PolarHBondContact O-N 3.1Å
68	S	87.3	Confident	95.4	Very high	32 Å²	32	28 Å²	28	22%	0.224	15%	0.148	C	C	.	.	S	Bend	trans	-70.6	-26.9	-173.5	73.5	0	0	0	0	113.9	Y87	S68-Y87 WeakPolarHBondContact CB-OH 3.38Å; S68-Y87 PolarHBondContact N-OH 2.96Å; S68-Y87 PolarHBondContact OG-OH 2.79Å
69	A	90.6	Very high	95.5	Very high	25 Å²	25	27.4 Å²	27.4	21%	0.207	15%	0.147	C	C	.	.	S	Bend	trans	-119.4	129.3	-176.9	0	0	0	0	0	112	F65 G67 T83 Y87	F65-A69 WeakPolarHBondContact CE1-O 3.26Å; G67-A69 VanDerWaalsContact C-N 3.33Å; G67-A69 PolarHBondContact O-N 3.1Å; A69-T83 PolarHBondContact O-OG1 3.31Å; A69-Y87 HydrophobicContact CB-CD2 4.33Å; A69-Y87 HydrophobicContact CB-CE2 3.94Å
70	G	94.3	Very high	95.5	Very high	10 Å²	10	26.8 Å²	26.8	10%	0.103	14%	0.144	C	C	.	.			trans	-178.8	166.1	170.1	0	0	0	0	0	113.8	S43 W82	S43-G70 PolarHBondContact N-O 3.26Å; S43-G70 VanDerWaalsContact N-O 3.1Å; S43-G70 PolarHBondContact OG-N 3.19Å; S43-G70 VanDerWaalsContact OG-N 3.14Å; S43-G70 PolarHBondContact OG-O 3.31Å; S43-G70 VanDerWaalsContact OG-O 3.08Å; G70-W82 CarbonylContact C-O 3.58Å; G70-W82 WeakPolarHBondContact CA-O 3.49Å
71	T	97.6	Very high	95.7	Very high	23 Å²	23	23.4 Å²	23.4	14%	0.141	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	118.6	170.7	-57	0	0	0	0	109.1	I40 I73 M81 W82 Q112	I40-T71 HydrophobicContact CG2-CG2 3.78Å; T71-I73 HydrophobicContact CG2-CG1 4.32Å; T71-M81 WeakPolarHBondContact O-CA 3.39Å; T71-W82 PolarHBondContact N-O 2.85Å; T71-W82 PolarHBondContact O-N 2.95Å; T71-Q112 PolarHBondContact OG1-NE2 3Å
72	A	98.4	Very high	95.7	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	136.1	172.8	0	0	0	0	0	109.8	V41 R59 I62 I74 A80 M81 W99	V41-A72 HydrophobicContact CB-CB 4.16Å; V41-A72 PolarHBondContact N-O 2.81Å; V41-A72 PolarHBondContact O-N 2.63Å; R59-A72 HydrophobicContact CG-CB 4.21Å; I62-A72 HydrophobicContact CG2-CB 4.38Å; A72-I74 HydrophobicContact CB-CD1 4.09Å; A72-A80 CarbonylContact C-O 3.57Å; A72-A80 WeakPolarHBondContact CA-O 3.48Å; A72-M81 HydrophobicContact CB-CE 3.63Å; A72-M81 HydrophobicContact CB-SD 4.39Å; A72-W99 HydrophobicContact CB-CH2 3.75Å; A72-W99 HydrophobicContact CB-CZ3 3.62Å
73	I	98.8	Very high	95.6	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	120.4	170.9	-52.9	-176.5	0	0	0	108.2	I40 T71 A79 A80 W82 Q112 W115 L116	I40-I73 HydrophobicContact CG1-CG1 4.36Å; I40-I73 HydrophobicContact CG1-CG2 4.43Å; I40-I73 HydrophobicContact CG2-CG1 4.46Å; T71-I73 HydrophobicContact CG2-CG1 4.32Å; I73-A79 WeakPolarHBondContact O-CA 3.42Å; I73-A80 PolarHBondContact N-O 2.95Å; I73-A80 PolarHBondContact O-N 3.44Å; I73-W82 HydrophobicContact CB-CZ3 3.97Å; I73-W82 HydrophobicContact CD1-CE3 4.09Å; I73-W82 HydrophobicContact CD1-CH2 4.15Å; I73-W82 HydrophobicContact CD1-CZ3 3.68Å; I73-W82 HydrophobicContact CG1-CE3 4.19Å; I73-W82 HydrophobicContact CG1-CZ3 3.8Å; I73-Q112 HydrophobicContact CD1-CB 3.78Å; I73-Q112 HydrophobicContact CD1-CG 3.95Å; I73-W115 HydrophobicContact CB-CZ3 4.01Å; I73-W115 HydrophobicContact CG2-CE3 4.41Å; I73-W115 HydrophobicContact CG2-CZ3 3.71Å; I73-L116 HydrophobicContact CD1-CD1 4.22Å; I73-L116 HydrophobicContact CD1-CG 4.38Å; I73-L116 HydrophobicContact CG2-CD2 3.68Å; I73-L116 HydrophobicContact CG2-CG 4.28Å
74	I	98.7	Very high	95.3	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	125.1	-179	-58.1	84.6	0	0	0	107.8	L19 L22 R23 M26 A38 Y39 V41 I62 A72 A79 W99	L19-I74 HydrophobicContact CD2-CG1 3.88Å; L19-I74 HydrophobicContact CD2-CG2 4Å; L22-I74 HydrophobicContact CD2-CB 4.21Å; L22-I74 HydrophobicContact CD2-CD1 4Å; L22-I74 HydrophobicContact CD2-CG1 3.96Å; L22-I74 HydrophobicContact CD2-CG2 4.3Å; R23-I74 HydrophobicContact CG-CG2 4.33Å; M26-I74 HydrophobicContact SD-CG2 4.34Å; A38-I74 CarbonylContact C-O 3.38Å; A38-I74 WeakPolarHBondContact CA-O 3.41Å; Y39-I74 PolarHBondContact N-O 3.15Å; Y39-I74 PolarHBondContact O-N 3.43Å; V41-I74 HydrophobicContact CG2-CD1 4.03Å; I62-I74 HydrophobicContact CG1-CD1 4.48Å; A72-I74 HydrophobicContact CB-CD1 4.09Å; I74-A79 HydrophobicContact CG1-CB 4.48Å; I74-W99 HydrophobicContact CD1-CH2 3.97Å; I74-W99 HydrophobicContact CG1-CH2 3.98Å
75	T	98.4	Very high	94.8	Very high	6 Å²	6	24.6 Å²	24.6	4%	0.037	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	179.8	169.8	79.6	0	0	0	0	110	R23 H37 A38 Q77 H78 W115 V119 L120	R23-T75 PolarHBondContact NE-O 2.72Å; H37-T75 VanDerWaalsContact O-CA 3.31Å; H37-T75 WeakPolarHBondContact O-CA 3.31Å; A38-T75 HydrophobicContact CB-CG2 4.01Å; T75-Q77 PolarHBondContact O-N 3.28Å; T75-Q77 PolarHBondContact OG1-N 3.2Å; T75-H78 PolarHBondContact N-O 3.42Å; T75-H78 PolarHBondContact OG1-N 3.31Å; T75-W115 HydrophobicContact CG2-CH2 3.86Å; T75-W115 HydrophobicContact CG2-CZ3 3.89Å; T75-V119 HydrophobicContact CG2-CG2 4.15Å; T75-L120 HydrophobicContact CG2-CD2 4.5Å
76	E	96.3	Very high	94.3	Very high	69 Å²	69	27 Å²	27	32%	0.322	15%	0.148	S	C	.	.	S	Bend	trans	-56.7	-30.8	172.9	-57.4	-155.1	126.9	0	0	113.3	R23 R27 H37	R23-E76 PolarHBondContact NE-O 3.2Å; R27-E76 IonicContact CZ-OE1 3.89Å; R27-E76 IonicContact NE-OE1 2.71Å; R27-E76 PolarHBondContact NE-OE1 3.25Å; R27-E76 VanDerWaalsContact NH2-CD 3.25Å; R27-E76 IonicContact NH2-OE1 2.79Å; R27-E76 PolarHBondContact NH2-OE1 2.87Å; R27-E76 IonicContact NH2-OE2 2.81Å; R27-E76 PolarHBondContact NH2-OE2 3.31Å; H37-E76 PolarHBondContact O-N 2.81Å
77	Q	96.2	Very high	94.1	Very high	152 Å²	152	24.9 Å²	24.9	71%	0.71	14%	0.136	S	C	*	.	S	Bend	trans	-116.7	-25.4	-172.8	-60	-173.6	12.5	0	0	113.8	T75	T75-Q77 PolarHBondContact O-N 3.28Å; T75-Q77 PolarHBondContact OG1-N 3.2Å
78	H	98.1	Very high	94.2	Very high	79 Å²	79	26.6 Å²	26.6	37%	0.366	14%	0.143	S	C	.	.			trans	-122	158.1	-172.1	-54.7	-61.1	0	0	0	111.8	R23 T75 W115	R23-H78 PolarHBondContact NH2-O 2.92Å; T75-H78 PolarHBondContact N-O 3.42Å; T75-H78 PolarHBondContact OG1-N 3.31Å; H78-W115 HydrophobicContact CB-CH2 3.85Å; H78-W115 HydrophobicContact CB-CZ2 3.79Å
79	A	98.6	Very high	94	Very high	3 Å²	3	29 Å²	29	3%	0.025	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	125	162.6	0	0	0	0	0	107.1	L19 I73 I74 W99 A100	L19-A79 HydrophobicContact CD1-CB 4.11Å; L19-A79 HydrophobicContact CD2-CB 3.99Å; I73-A79 WeakPolarHBondContact O-CA 3.42Å; I74-A79 HydrophobicContact CG1-CB 4.48Å; A79-W99 HydrophobicContact CB-CD2 3.85Å; A79-W99 HydrophobicContact CB-CE3 3.8Å; A79-W99 HydrophobicContact CB-CG 4.45Å; A79-W99 HydrophobicContact CB-CH2 4.15Å; A79-W99 HydrophobicContact CB-CZ2 4.18Å; A79-W99 HydrophobicContact CB-CZ3 3.96Å; A79-W99 WeakPolarHBondContact O-CA 3.35Å; A79-A100 PolarHBondContact O-N 2.8Å
80	A	98.6	Very high	93.7	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	145.4	-176.4	0	0	0	0	0	110.8	A72 I73 W82 A100 M102 W115	A72-A80 CarbonylContact C-O 3.57Å; A72-A80 WeakPolarHBondContact CA-O 3.48Å; I73-A80 PolarHBondContact N-O 2.95Å; I73-A80 PolarHBondContact O-N 3.44Å; A80-W82 HydrophobicContact CB-CE3 4.33Å; A80-W82 HydrophobicContact CB-CH2 3.63Å; A80-W82 HydrophobicContact CB-CZ3 3.38Å; A80-A100 CarbonylContact C-O 3.21Å; A80-A100 VanDerWaalsContact CA-O 3.31Å; A80-A100 WeakPolarHBondContact CA-O 3.27Å; A80-A100 HydrophobicContact CB-CB 4.37Å; A80-M102 HydrophobicContact CB-CE 3.71Å; A80-M102 HydrophobicContact CB-CG 4.13Å; A80-W115 HydrophobicContact CB-CH2 3.7Å; A80-W115 HydrophobicContact CB-CZ2 3.69Å; A80-W115 HydrophobicContact CB-CZ3 4.26Å
81	M	98.4	Very high	93.6	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	115.5	-177.3	179.5	63	62.2	0	0	110.4	R59 C63 F65 T71 A72 M95 W99 A100 M102	R59-M81 HydrophobicContact CG-CE 3.81Å; R59-M81 HydrophobicContact CG-SD 4.15Å; C63-M81 HydrophobicContact CB-CE 3.61Å; C63-M81 WeakPolarHBondContact SG-CE 3.26Å; F65-M81 HydrophobicContact CD1-CE 4.46Å; F65-M81 HydrophobicContact CD1-CG 4.25Å; F65-M81 HydrophobicContact CD1-SD 4.12Å; T71-M81 WeakPolarHBondContact O-CA 3.39Å; A72-M81 HydrophobicContact CB-CE 3.63Å; A72-M81 HydrophobicContact CB-SD 4.39Å; M81-M95 HydrophobicContact CB-CE 3.95Å; M81-M95 HydrophobicContact CB-SD 3.51Å; M81-M95 VanDerWaalsContact CB-SD 3.51Å; M81-M95 HydrophobicContact CE-SD 4.26Å; M81-M95 HydrophobicContact CG-CE 4.33Å; M81-M95 HydrophobicContact CG-SD 3.73Å; M81-W99 HydrophobicContact CB-CE3 4.18Å; M81-W99 HydrophobicContact CE-CE3 4.31Å; M81-W99 HydrophobicContact CE-CZ3 4.03Å; M81-A100 PolarHBondContact N-O 3.3Å; M81-M102 WeakPolarHBondContact O-CB 3.48Å; M81-M102 PolarHBondContact O-N 3.46Å
82	W	98.1	Very high	93.2	Very high	5 Å²	5	31.1 Å²	31.1	2%	0.019	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	132	169.6	-75.8	-105.3	0	0	0	109.8	G70 T71 I73 A80 M102 M104 P110 Q112 W115	G70-W82 CarbonylContact C-O 3.58Å; G70-W82 WeakPolarHBondContact CA-O 3.49Å; T71-W82 PolarHBondContact N-O 2.85Å; T71-W82 PolarHBondContact O-N 2.95Å; I73-W82 HydrophobicContact CB-CZ3 3.97Å; I73-W82 HydrophobicContact CD1-CE3 4.09Å; I73-W82 HydrophobicContact CD1-CH2 4.15Å; I73-W82 HydrophobicContact CD1-CZ3 3.68Å; I73-W82 HydrophobicContact CG1-CE3 4.19Å; I73-W82 HydrophobicContact CG1-CZ3 3.8Å; A80-W82 HydrophobicContact CB-CE3 4.33Å; A80-W82 HydrophobicContact CB-CH2 3.63Å; A80-W82 HydrophobicContact CB-CZ3 3.38Å; W82-M102 WeakPolarHBondContact CA-O 3.45Å; W82-M102 HydrophobicContact CB-CB 4.36Å; W82-M102 HydrophobicContact CD2-CB 3.51Å; W82-M102 HydrophobicContact CD2-CG 3.72Å; W82-M102 VanDerWaalsContact CE2-CB 3.44Å; W82-M102 VanDerWaalsContact CE2-CG 3.48Å; W82-M102 HydrophobicContact CE3-CB 4.19Å; W82-M102 HydrophobicContact CE3-CG 4Å; W82-M102 HydrophobicContact CG-CB 3.59Å; W82-M102 HydrophobicContact CG-CG 4.34Å; W82-M102 HydrophobicContact CH2-CE 3.97Å; W82-M102 HydrophobicContact CH2-CG 3.75Å; W82-M102 HydrophobicContact CH2-SD 4.41Å; W82-M102 HydrophobicContact CZ2-CB 4.02Å; W82-M102 HydrophobicContact CZ2-CE 4.05Å; W82-M102 HydrophobicContact CZ2-CG 3.51Å; W82-M102 HydrophobicContact CZ2-SD 3.99Å; W82-M102 HydrophobicContact CZ3-CG 4.01Å; W82-M104 HydrophobicContact CB-CG 4.03Å; W82-M104 HydrophobicContact CB-SD 3.92Å; W82-M104 HydrophobicContact CG-CG 4.4Å; W82-P110 PolarHBondContact NE1-O 2.9Å; W82-Q112 HydrophobicContact CD2-CG 3.74Å; W82-Q112 HydrophobicContact CE3-CG 4.17Å; W82-Q112 HydrophobicContact CG-CG 3.91Å; W82-W115 HydrophobicContact CH2-CB 3.99Å; W82-W115 AromaticContact CH2-CD2 3.49Å; W82-W115 HydrophobicContact CH2-CD2 3.49Å; W82-W115 VanDerWaalsContact CH2-CD2 3.49Å; W82-W115 AromaticContact CH2-CE3 3.47Å; W82-W115 HydrophobicContact CH2-CE3 3.47Å; W82-W115 VanDerWaalsContact CH2-CE3 3.47Å; W82-W115 AromaticContact CH2-CG 3.73Å; W82-W115 HydrophobicContact CH2-CG 3.73Å; W82-W115 HydrophobicContact CH2-CZ3 4.05Å; W82-W115 HydrophobicContact CZ2-CB 3.65Å; W82-W115 HydrophobicContact CZ2-CD2 4.07Å; W82-W115 HydrophobicContact CZ2-CE3 4.33Å; W82-W115 AromaticContact CZ2-CG 3.78Å; W82-W115 HydrophobicContact CZ2-CG 3.78Å; W82-W115 HydrophobicContact CZ3-CE3 4.27Å; W82-W115 HydrophobicContact CZ3-CZ3 4.48Å
83	T	95.1	Very high	92.7	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.006	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	168.3	167.6	-166.6	0	0	0	0	109.6	F65 A69 Y87 F88 A91 L101 M102 M104	F65-T83 HydrophobicContact CZ-CG2 4.5Å; A69-T83 PolarHBondContact O-OG1 3.31Å; T83-Y87 WeakPolarHBondContact OG1-CB 3.42Å; T83-Y87 WeakPolarHBondContact OG1-CD2 3.41Å; T83-F88 HydrophobicContact CG2-CD1 4.27Å; T83-F88 WeakPolarHBondContact O-CE1 3.47Å; T83-A91 HydrophobicContact CG2-CB 4.2Å; T83-L101 HydrophobicContact CG2-CD1 3.92Å; T83-M102 PolarHBondContact N-O 3.41Å; T83-M104 VanDerWaalsContact O-CB 3.23Å; T83-M104 WeakPolarHBondContact O-CB 3.4Å; T83-M104 VanDerWaalsContact O-CG 3.25Å; T83-M104 WeakPolarHBondContact O-CG 3.43Å; T83-M104 PolarHBondContact O-N 2.99Å
84	D	90.1	Very high	92.3	Very high	28 Å²	28	36.1 Å²	36.1	15%	0.15	19%	0.185	C	C	.	.			trans	-94.8	175.2	-179	67.9	68.1	0	0	0	112.9	R86 Y87 F88	D84-R86 PolarHBondContact O-N 2.75Å; D84-R86 VanDerWaalsContact OD1-CB 3.26Å; D84-R86 WeakPolarHBondContact OD1-CB 3.42Å; D84-R86 WeakPolarHBondContact OD1-CG 3.4Å; D84-R86 IonicContact OD1-CZ 3.52Å; D84-R86 PolarHBondContact OD1-N 2.86Å; D84-R86 VanDerWaalsContact OD1-N 3.1Å; D84-R86 IonicContact OD1-NE 3.76Å; D84-R86 PolarHBondContact OD1-NE 3.26Å; D84-R86 IonicContact OD1-NH2 2.94Å; D84-R86 IonicContact OD2-CZ 3.33Å; D84-R86 IonicContact OD2-NE 3.14Å; D84-R86 PolarHBondContact OD2-NE 2.94Å; D84-R86 IonicContact OD2-NH2 3.79Å; D84-R86 PolarHBondContact OD2-NH2 2.89Å; D84-Y87 PolarHBondContact O-N 2.85Å; D84-F88 VanDerWaalsContact O-CD1 3.27Å; D84-F88 WeakPolarHBondContact O-CD1 3.23Å; D84-F88 VanDerWaalsContact O-CE1 3.28Å; D84-F88 WeakPolarHBondContact O-CE1 3.29Å
85	G	82.9	Confident	92.2	Very high	28 Å²	28	36.7 Å²	36.7	29%	0.289	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-54.9	-22.2	-171.8	0	0	0	0	0	115.5	Y87 F88	G85-Y87 PolarHBondContact O-N 2.83Å; G85-F88 VanDerWaalsContact CA-CZ 3.47Å
86	R	83.8	Confident	92.1	Very high	50 Å²	50	37.2 Å²	37.2	19%	0.189	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-63.3	-24.8	176.2	-61.3	175.3	-73.3	174.7	6.8	112.9	D84 I403 H404	D84-R86 PolarHBondContact O-N 2.75Å; D84-R86 VanDerWaalsContact OD1-CB 3.26Å; D84-R86 WeakPolarHBondContact OD1-CB 3.42Å; D84-R86 WeakPolarHBondContact OD1-CG 3.4Å; D84-R86 IonicContact OD1-CZ 3.52Å; D84-R86 PolarHBondContact OD1-N 2.86Å; D84-R86 VanDerWaalsContact OD1-N 3.1Å; D84-R86 IonicContact OD1-NE 3.76Å; D84-R86 PolarHBondContact OD1-NE 3.26Å; D84-R86 IonicContact OD1-NH2 2.94Å; D84-R86 IonicContact OD2-CZ 3.33Å; D84-R86 IonicContact OD2-NE 3.14Å; D84-R86 PolarHBondContact OD2-NE 2.94Å; D84-R86 IonicContact OD2-NH2 3.79Å; D84-R86 PolarHBondContact OD2-NH2 2.89Å; R86-I403 HydrophobicContact CG-CB 4.44Å; R86-I403 HydrophobicContact CG-CD1 4.47Å; R86-I403 HydrophobicContact CG-CG2 4.43Å; R86-H404 HydrophobicContact CB-CB 4.31Å; R86-H404 VanDerWaalsContact CD-CD2 3.42Å; R86-H404 WeakPolarHBondContact CD-CD2 3.26Å; R86-H404 VanDerWaalsContact CD-CE1 3.47Å; R86-H404 WeakPolarHBondContact CD-CE1 3.36Å; R86-H404 WeakPolarHBondContact CD-NE2 3.31Å; R86-H404 PolarHBondContact NH1-CE1 3.35Å
87	Y	88.2	Confident	92.1	Very high	9 Å²	9	42.1 Å²	42.1	4%	0.035	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-124.8	6	-164.1	-61.9	-57	0	0	0	114.9	F65 S68 A69 T83 D84 G85 L89 Q90 A91 H404	F65-Y87 HydrophobicContact CE2-CD1 4.29Å; F65-Y87 HydrophobicContact CE2-CG 4.19Å; F65-Y87 HydrophobicContact CZ-CD1 4.23Å; F65-Y87 HydrophobicContact CZ-CD2 4.27Å; F65-Y87 AromaticContact CZ-CG 3.79Å; F65-Y87 HydrophobicContact CZ-CG 3.79Å; S68-Y87 WeakPolarHBondContact CB-OH 3.38Å; S68-Y87 PolarHBondContact N-OH 2.96Å; S68-Y87 PolarHBondContact OG-OH 2.79Å; A69-Y87 HydrophobicContact CB-CD2 4.33Å; A69-Y87 HydrophobicContact CB-CE2 3.94Å; T83-Y87 WeakPolarHBondContact OG1-CB 3.42Å; T83-Y87 WeakPolarHBondContact OG1-CD2 3.41Å; D84-Y87 PolarHBondContact O-N 2.85Å; G85-Y87 PolarHBondContact O-N 2.83Å; Y87-L89 PolarHBondContact O-N 2.88Å; Y87-Q90 VanDerWaalsContact CD1-OE1 3.24Å; Y87-Q90 PolarHBondContact O-N 2.86Å; Y87-A91 WeakPolarHBondContact O-CB 3.34Å; Y87-A91 PolarHBondContact O-N 2.95Å; Y87-H404 HydrophobicContact CE1-CB 3.72Å; Y87-H404 AromaticContact CZ-ND1 3.67Å; Y87-H404 PolarHBondContact OH-ND1 3.03Å
88	F	89.1	Confident	92.1	Very high	39 Å²	39	38.6 Å²	38.6	17%	0.171	21%	0.205	C	C	.	.	H	α-helix	trans	-57.9	-47.3	-177.4	-65	-15.9	0	0	0	112.8	T83 D84 G85 S92 L101 K103 M104 L106	T83-F88 HydrophobicContact CG2-CD1 4.27Å; T83-F88 WeakPolarHBondContact O-CE1 3.47Å; D84-F88 VanDerWaalsContact O-CD1 3.27Å; D84-F88 WeakPolarHBondContact O-CD1 3.23Å; D84-F88 VanDerWaalsContact O-CE1 3.28Å; D84-F88 WeakPolarHBondContact O-CE1 3.29Å; G85-F88 VanDerWaalsContact CA-CZ 3.47Å; F88-S92 WeakPolarHBondContact O-CB 3.25Å; F88-S92 PolarHBondContact O-N 3.13Å; F88-S92 PolarHBondContact O-OG 3.36Å; F88-L101 WeakPolarHBondContact O-CD2 3.49Å; F88-K103 HydrophobicContact CD1-CB 4.01Å; F88-K103 HydrophobicContact CD1-CD 4.38Å; F88-K103 HydrophobicContact CD1-CG 3.76Å; F88-K103 HydrophobicContact CD2-CB 4.43Å; F88-K103 HydrophobicContact CD2-CD 3.98Å; F88-K103 HydrophobicContact CD2-CG 4.22Å; F88-K103 VanDerWaalsContact CE1-CA 3.43Å; F88-K103 HydrophobicContact CE1-CB 3.53Å; F88-K103 HydrophobicContact CE1-CG 3.85Å; F88-K103 HydrophobicContact CE2-CB 3.99Å; F88-K103 HydrophobicContact CE2-CD 4.21Å; F88-K103 HydrophobicContact CE2-CG 4.28Å; F88-K103 HydrophobicContact CG-CB 4.44Å; F88-K103 HydrophobicContact CG-CD 4.06Å; F88-K103 HydrophobicContact CG-CG 3.96Å; F88-K103 HydrophobicContact CZ-CB 3.52Å; F88-K103 HydrophobicContact CZ-CG 4.11Å; F88-M104 WeakPolarHBondContact CZ-O 3.4Å; F88-L106 HydrophobicContact CE2-CD1 4.42Å; F88-L106 HydrophobicContact CE2-CG 4.43Å
89	L	83.1	Confident	92.1	Very high	83 Å²	83	35.9 Å²	35.9	44%	0.435	19%	0.191	S	C	.	.	H	α-helix	trans	-67.1	-50.6	179.8	-177.3	61.6	0	0	0	111.1	Y87 A91 S92 Q93 I402	Y87-L89 PolarHBondContact O-N 2.88Å; L89-A91 PolarHBondContact O-N 3.14Å; L89-S92 PolarHBondContact O-N 2.85Å; L89-S92 VanDerWaalsContact O-N 3.15Å; L89-S92 PolarHBondContact O-OG 3.23Å; L89-Q93 HydrophobicContact CD1-CG 4.49Å; L89-Q93 WeakPolarHBondContact O-CG 3.32Å; L89-Q93 PolarHBondContact O-N 2.97Å; L89-Q93 VanDerWaalsContact O-N 3.13Å; L89-I402 HydrophobicContact CD2-CD1 3.73Å; L89-I402 HydrophobicContact CD2-CG1 4.01Å
90	Q	85.4	Confident	92.1	Very high	33 Å²	33	38 Å²	38	15%	0.154	21%	0.208	C	C	.	.	H	α-helix	trans	-56.7	-47.2	179.2	-178.8	-179	-5.4	0	0	112.1	F65 N66 Y87 S92 Q93 Q94	F65-Q90 HydrophobicContact CD2-CG 4.23Å; F65-Q90 HydrophobicContact CE2-CB 4.42Å; F65-Q90 HydrophobicContact CE2-CG 4.06Å; N66-Q90 PolarHBondContact OD1-NE2 3.43Å; Y87-Q90 VanDerWaalsContact CD1-OE1 3.24Å; Y87-Q90 PolarHBondContact O-N 2.86Å; Q90-S92 VanDerWaalsContact C-N 3.32Å; Q90-S92 PolarHBondContact O-N 3.29Å; Q90-Q93 PolarHBondContact O-N 2.83Å; Q90-Q94 HydrophobicContact CG-CG 4.34Å; Q90-Q94 WeakPolarHBondContact O-CB 3.44Å; Q90-Q94 WeakPolarHBondContact O-CG 3.31Å; Q90-Q94 PolarHBondContact O-N 3.29Å
91	A	91.4	Very high	92.1	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-62.5	-40.1	179.1	0	0	0	0	0	111.7	F65 T83 Y87 L89 Q93 Q94 M95 L101	F65-A91 HydrophobicContact CD2-CB 3.77Å; F65-A91 HydrophobicContact CE2-CB 3.95Å; F65-A91 HydrophobicContact CG-CB 4.13Å; F65-A91 HydrophobicContact CZ-CB 4.45Å; T83-A91 HydrophobicContact CG2-CB 4.2Å; Y87-A91 WeakPolarHBondContact O-CB 3.34Å; Y87-A91 PolarHBondContact O-N 2.95Å; L89-A91 PolarHBondContact O-N 3.14Å; A91-Q93 VanDerWaalsContact C-N 3.26Å; A91-Q93 PolarHBondContact O-N 3.44Å; A91-Q94 PolarHBondContact O-N 3.44Å; A91-M95 HydrophobicContact CB-CE 4.02Å; A91-M95 WeakPolarHBondContact O-CB 3.49Å; A91-M95 WeakPolarHBondContact O-CE 3.3Å; A91-M95 VanDerWaalsContact O-CG 3.31Å; A91-M95 WeakPolarHBondContact O-CG 3.49Å; A91-M95 PolarHBondContact O-N 2.94Å; A91-M95 VanDerWaalsContact O-N 3.14Å; A91-L101 HydrophobicContact CB-CD1 3.65Å; A91-L101 HydrophobicContact CB-CD2 4.3Å
92	S	90.1	Very high	92	Very high	69 Å²	69	41.1 Å²	41.1	48%	0.483	23%	0.225	S	C	.	.	H	α-helix	trans	-65.9	-26.5	177.5	73.1	0	0	0	0	114.1	F88 L89 Q90	F88-S92 WeakPolarHBondContact O-CB 3.25Å; F88-S92 PolarHBondContact O-N 3.13Å; F88-S92 PolarHBondContact O-OG 3.36Å; L89-S92 PolarHBondContact O-N 2.85Å; L89-S92 VanDerWaalsContact O-N 3.15Å; L89-S92 PolarHBondContact O-OG 3.23Å; Q90-S92 VanDerWaalsContact C-N 3.32Å; Q90-S92 PolarHBondContact O-N 3.29Å
93	Q	87.3	Confident	91.9	Very high	89 Å²	89	45.1 Å²	45.1	42%	0.416	24%	0.242	S	C	.	.	H	α-helix	trans	-87.7	-31.9	179.5	-69	172.8	-10.2	0	0	112.6	L89 Q90 A91	L89-Q93 HydrophobicContact CD1-CG 4.49Å; L89-Q93 WeakPolarHBondContact O-CG 3.32Å; L89-Q93 PolarHBondContact O-N 2.97Å; L89-Q93 VanDerWaalsContact O-N 3.13Å; Q90-Q93 PolarHBondContact O-N 2.83Å; A91-Q93 VanDerWaalsContact C-N 3.26Å; A91-Q93 PolarHBondContact O-N 3.44Å
94	Q	90.6	Very high	91.7	Very high	15 Å²	15	49.2 Å²	49.2	7%	0.07	26%	0.262	C	S	.	.	H	α-helix	trans	-90.7	-26.6	-173.8	-69.6	-178.1	-24.6	0	0	114.1	M10 P12 K13 N66 Q90 A91	M10-Q94 HydrophobicContact CE-CG 4.28Å; M10-Q94 HydrophobicContact SD-CG 4.45Å; P12-Q94 WeakPolarHBondContact CA-O 3.06Å; P12-Q94 WeakPolarHBondContact CB-O 3.36Å; K13-Q94 PolarHBondContact N-O 2.73Å; N66-Q94 PolarHBondContact OD1-NE2 2.81Å; N66-Q94 PolarHBondContact OD1-OE1 3.2Å; Q90-Q94 HydrophobicContact CG-CG 4.34Å; Q90-Q94 WeakPolarHBondContact O-CB 3.44Å; Q90-Q94 WeakPolarHBondContact O-CG 3.31Å; Q90-Q94 PolarHBondContact O-N 3.29Å; A91-Q94 PolarHBondContact O-N 3.44Å
95	M	95.9	Very high	91.5	Very high	13 Å²	13	51.9 Å²	51.9	6%	0.064	30%	0.296	C	S	.	.	B	Isolated β-bridge	trans	-90.3	142.3	-179.9	-59.6	-172.7	-55.5	0	0	111.7	P12 F65 M81 A91 W99 L101	P12-M95 VanDerWaalsContact CB-O 3.29Å; P12-M95 WeakPolarHBondContact CB-O 3.48Å; F65-M95 HydrophobicContact CB-CG 3.8Å; F65-M95 HydrophobicContact CB-SD 4.2Å; M81-M95 HydrophobicContact CB-CE 3.95Å; M81-M95 HydrophobicContact CB-SD 3.51Å; M81-M95 VanDerWaalsContact CB-SD 3.51Å; M81-M95 HydrophobicContact CE-SD 4.26Å; M81-M95 HydrophobicContact CG-CE 4.33Å; M81-M95 HydrophobicContact CG-SD 3.73Å; A91-M95 HydrophobicContact CB-CE 4.02Å; A91-M95 WeakPolarHBondContact O-CB 3.49Å; A91-M95 WeakPolarHBondContact O-CE 3.3Å; A91-M95 VanDerWaalsContact O-CG 3.31Å; A91-M95 WeakPolarHBondContact O-CG 3.49Å; A91-M95 PolarHBondContact O-N 2.94Å; A91-M95 VanDerWaalsContact O-N 3.14Å; M95-W99 HydrophobicContact CB-CB 3.97Å; M95-W99 HydrophobicContact CB-CG 4.25Å; M95-W99 HydrophobicContact CE-CB 4.24Å; M95-W99 HydrophobicContact CG-CB 4.47Å; M95-W99 HydrophobicContact SD-CB 3.95Å; M95-W99 HydrophobicContact SD-CD2 4.43Å; M95-W99 HydrophobicContact SD-CE3 4.5Å; M95-W99 HydrophobicContact SD-CG 4.19Å; M95-L101 HydrophobicContact CE-CB 3.93Å; M95-L101 HydrophobicContact CE-CD1 3.97Å; M95-L101 HydrophobicContact CE-CG 4.47Å
96	D	96	Very high	91.7	Very high	16 Å²	16	53.8 Å²	53.8	9%	0.086	30%	0.299	C	S	.	.			trans	-81.1	178.5	175.5	73	12.4	0	0	0	112.3	P12 K13 T15 N98 W99	P12-D96 HydrophobicContact CB-CB 4.05Å; P12-D96 HydrophobicContact CG-CB 4.1Å; K13-D96 WeakPolarHBondContact O-CB 3.49Å; T15-D96 PolarHBondContact N-OD2 3.08Å; T15-D96 PolarHBondContact OG1-OD1 3.49Å; T15-D96 VanDerWaalsContact OG1-OD1 3.1Å; T15-D96 PolarHBondContact OG1-OD2 3.43Å; D96-N98 PolarHBondContact O-N 3.02Å; D96-N98 WeakPolarHBondContact OD1-CB 3.18Å; D96-N98 PolarHBondContact OD1-N 3.46Å; D96-N98 PolarHBondContact OD1-ND2 3.22Å; D96-N98 PolarHBondContact OD2-ND2 3.08Å; D96-W99 PolarHBondContact O-N 2.72Å; D96-W99 VanDerWaalsContact O-N 3.13Å
97	N	96.4	Very high	91.9	Very high	173 Å²	173	61.4 Å²	61.4	93%	0.925	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-1.8	-177.2	-64.3	-26.8	0	0	0	114.6	W99	N97-W99 VanDerWaalsContact C-N 3.29Å
98	N	97.6	Very high	92.1	Very high	78 Å²	78	67.7 Å²	67.7	42%	0.417	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-17.4	172.7	-60.7	-72.5	0	0	0	112.4	L19 D96	L19-N98 HydrophobicContact CD1-CB 3.57Å; D96-N98 PolarHBondContact O-N 3.02Å; D96-N98 WeakPolarHBondContact OD1-CB 3.18Å; D96-N98 PolarHBondContact OD1-N 3.46Å; D96-N98 PolarHBondContact OD1-ND2 3.22Å; D96-N98 PolarHBondContact OD2-ND2 3.08Å
99	W	98.3	Very high	92.4	Very high	21 Å²	21	67.4 Å²	67.4	8%	0.08	37%	0.365	C	S	.	.			trans	-104.1	133.8	-172.3	-68.8	85.1	0	0	0	112.8	T15 L19 I62 C63 A72 I74 A79 M81 M95 D96 N97	T15-W99 PolarHBondContact OG1-NE1 3.42Å; L19-W99 HydrophobicContact CD2-CH2 4.46Å; L19-W99 HydrophobicContact CD2-CZ2 3.87Å; I62-W99 HydrophobicContact CG1-CH2 4.44Å; I62-W99 HydrophobicContact CG1-CZ2 4.21Å; I62-W99 HydrophobicContact CG2-CH2 4.08Å; I62-W99 HydrophobicContact CG2-CZ2 4.31Å; I62-W99 WeakPolarHBondContact O-CZ2 3.37Å; C63-W99 HydrophobicContact CB-CD2 3.84Å; C63-W99 VanDerWaalsContact CB-CE2 3.43Å; C63-W99 HydrophobicContact CB-CE3 4.07Å; C63-W99 HydrophobicContact CB-CH2 3.61Å; C63-W99 HydrophobicContact CB-CZ2 3.33Å; C63-W99 HydrophobicContact CB-CZ3 3.97Å; A72-W99 HydrophobicContact CB-CH2 3.75Å; A72-W99 HydrophobicContact CB-CZ3 3.62Å; I74-W99 HydrophobicContact CD1-CH2 3.97Å; I74-W99 HydrophobicContact CG1-CH2 3.98Å; A79-W99 HydrophobicContact CB-CD2 3.85Å; A79-W99 HydrophobicContact CB-CE3 3.8Å; A79-W99 HydrophobicContact CB-CG 4.45Å; A79-W99 HydrophobicContact CB-CH2 4.15Å; A79-W99 HydrophobicContact CB-CZ2 4.18Å; A79-W99 HydrophobicContact CB-CZ3 3.96Å; A79-W99 WeakPolarHBondContact O-CA 3.35Å; M81-W99 HydrophobicContact CB-CE3 4.18Å; M81-W99 HydrophobicContact CE-CE3 4.31Å; M81-W99 HydrophobicContact CE-CZ3 4.03Å; M95-W99 HydrophobicContact CB-CB 3.97Å; M95-W99 HydrophobicContact CB-CG 4.25Å; M95-W99 HydrophobicContact CE-CB 4.24Å; M95-W99 HydrophobicContact CG-CB 4.47Å; M95-W99 HydrophobicContact SD-CB 3.95Å; M95-W99 HydrophobicContact SD-CD2 4.43Å; M95-W99 HydrophobicContact SD-CE3 4.5Å; M95-W99 HydrophobicContact SD-CG 4.19Å; D96-W99 PolarHBondContact O-N 2.72Å; D96-W99 VanDerWaalsContact O-N 3.13Å; N97-W99 VanDerWaalsContact C-N 3.29Å
100	A	97.9	Very high	93	Very high	47 Å²	47	65.6 Å²	65.6	39%	0.388	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	120.8	166.6	0	0	0	0	0	110.4	A79 A80 M81 M102	A79-A100 PolarHBondContact O-N 2.8Å; A80-A100 CarbonylContact C-O 3.21Å; A80-A100 VanDerWaalsContact CA-O 3.31Å; A80-A100 WeakPolarHBondContact CA-O 3.27Å; A80-A100 HydrophobicContact CB-CB 4.37Å; M81-A100 PolarHBondContact N-O 3.3Å; A100-M102 HydrophobicContact CB-CE 4.26Å
101	L	97.7	Very high	93.6	Very high	43 Å²	43	66.1 Å²	66.1	23%	0.225	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	121.8	173.6	178.6	61.1	0	0	0	110.8	T83 F88 A91 M95 K103	T83-L101 HydrophobicContact CG2-CD1 3.92Å; F88-L101 WeakPolarHBondContact O-CD2 3.49Å; A91-L101 HydrophobicContact CB-CD1 3.65Å; A91-L101 HydrophobicContact CB-CD2 4.3Å; M95-L101 HydrophobicContact CE-CB 3.93Å; M95-L101 HydrophobicContact CE-CD1 3.97Å; M95-L101 HydrophobicContact CE-CG 4.47Å; L101-K103 HydrophobicContact CD2-CG 4.24Å; L101-K103 HydrophobicContact CG-CG 4.11Å
102	M	97.9	Very high	93.9	Very high	24 Å²	24	68 Å²	68	12%	0.118	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	104.5	178.3	-58.5	-72.2	-172.6	0	0	109.4	A80 M81 W82 T83 A100 M104 T109 P110 W115	A80-M102 HydrophobicContact CB-CE 3.71Å; A80-M102 HydrophobicContact CB-CG 4.13Å; M81-M102 WeakPolarHBondContact O-CB 3.48Å; M81-M102 PolarHBondContact O-N 3.46Å; W82-M102 WeakPolarHBondContact CA-O 3.45Å; W82-M102 HydrophobicContact CB-CB 4.36Å; W82-M102 HydrophobicContact CD2-CB 3.51Å; W82-M102 HydrophobicContact CD2-CG 3.72Å; W82-M102 VanDerWaalsContact CE2-CB 3.44Å; W82-M102 VanDerWaalsContact CE2-CG 3.48Å; W82-M102 HydrophobicContact CE3-CB 4.19Å; W82-M102 HydrophobicContact CE3-CG 4Å; W82-M102 HydrophobicContact CG-CB 3.59Å; W82-M102 HydrophobicContact CG-CG 4.34Å; W82-M102 HydrophobicContact CH2-CE 3.97Å; W82-M102 HydrophobicContact CH2-CG 3.75Å; W82-M102 HydrophobicContact CH2-SD 4.41Å; W82-M102 HydrophobicContact CZ2-CB 4.02Å; W82-M102 HydrophobicContact CZ2-CE 4.05Å; W82-M102 HydrophobicContact CZ2-CG 3.51Å; W82-M102 HydrophobicContact CZ2-SD 3.99Å; W82-M102 HydrophobicContact CZ3-CG 4.01Å; T83-M102 PolarHBondContact N-O 3.41Å; A100-M102 HydrophobicContact CB-CE 4.26Å; M102-M104 PolarHBondContact O-N 3.18Å; M102-T109 HydrophobicContact CB-CG2 4.11Å; M102-P110 HydrophobicContact SD-CG 4.48Å; M102-W115 HydrophobicContact CE-CD2 4.27Å; M102-W115 HydrophobicContact CE-CG 4.12Å; M102-W115 HydrophobicContact CE-CZ2 4.29Å; M102-W115 VanDerWaalsContact CE-NE1 3.25Å
103	K	94.6	Very high	94.2	Very high	88 Å²	88	66.9 Å²	66.9	38%	0.383	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	93.6	-169.7	-68	-175.7	-178	180	0	112	F88 L101 L106 T109	F88-K103 HydrophobicContact CD1-CB 4.01Å; F88-K103 HydrophobicContact CD1-CD 4.38Å; F88-K103 HydrophobicContact CD1-CG 3.76Å; F88-K103 HydrophobicContact CD2-CB 4.43Å; F88-K103 HydrophobicContact CD2-CD 3.98Å; F88-K103 HydrophobicContact CD2-CG 4.22Å; F88-K103 VanDerWaalsContact CE1-CA 3.43Å; F88-K103 HydrophobicContact CE1-CB 3.53Å; F88-K103 HydrophobicContact CE1-CG 3.85Å; F88-K103 HydrophobicContact CE2-CB 3.99Å; F88-K103 HydrophobicContact CE2-CD 4.21Å; F88-K103 HydrophobicContact CE2-CG 4.28Å; F88-K103 HydrophobicContact CG-CB 4.44Å; F88-K103 HydrophobicContact CG-CD 4.06Å; F88-K103 HydrophobicContact CG-CG 3.96Å; F88-K103 HydrophobicContact CZ-CB 3.52Å; F88-K103 HydrophobicContact CZ-CG 4.11Å; L101-K103 HydrophobicContact CD2-CG 4.24Å; L101-K103 HydrophobicContact CG-CG 4.11Å; K103-L106 HydrophobicContact CB-CD1 3.57Å; K103-L106 HydrophobicContact CB-CG 4.04Å; K103-L106 HydrophobicContact CD-CD1 3.74Å; K103-L106 HydrophobicContact CG-CD1 4.32Å; K103-L106 PolarHBondContact O-N 3.49Å; K103-T109 WeakPolarHBondContact O-CB 2.8Å; K103-T109 WeakPolarHBondContact O-CG2 3.5Å; K103-T109 PolarHBondContact O-OG1 3.38Å
104	M	92	Very high	94.7	Very high	87 Å²	87	67.4 Å²	67.4	43%	0.429	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	140.5	-175.8	-63.6	168.1	61.4	0	0	112.1	W82 T83 F88 M102 L106	W82-M104 HydrophobicContact CB-CG 4.03Å; W82-M104 HydrophobicContact CB-SD 3.92Å; W82-M104 HydrophobicContact CG-CG 4.4Å; T83-M104 VanDerWaalsContact O-CB 3.23Å; T83-M104 WeakPolarHBondContact O-CB 3.4Å; T83-M104 VanDerWaalsContact O-CG 3.25Å; T83-M104 WeakPolarHBondContact O-CG 3.43Å; T83-M104 PolarHBondContact O-N 2.99Å; F88-M104 WeakPolarHBondContact CZ-O 3.4Å; M102-M104 PolarHBondContact O-N 3.18Å; M104-L106 VanDerWaalsContact C-N 3.33Å
105	G	85.4	Confident	95.1	Very high	84 Å²	84	67.9 Å²	67.9	87%	0.866	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.5	-13.8	179.4	0	0	0	0	0	114.4
106	L	87.3	Confident	95.2	Very high	68 Å²	68	67.2 Å²	67.2	36%	0.356	37%	0.365	S	S	.	.	S	Bend	trans	-79.2	146.1	168.7	-54.4	-173.9	0	0	0	110.6	F88 K103 M104 E108 T109	F88-L106 HydrophobicContact CE2-CD1 4.42Å; F88-L106 HydrophobicContact CE2-CG 4.43Å; K103-L106 HydrophobicContact CB-CD1 3.57Å; K103-L106 HydrophobicContact CB-CG 4.04Å; K103-L106 HydrophobicContact CD-CD1 3.74Å; K103-L106 HydrophobicContact CG-CD1 4.32Å; K103-L106 PolarHBondContact O-N 3.49Å; M104-L106 VanDerWaalsContact C-N 3.33Å; L106-E108 WeakPolarHBondContact CB-OE1 3.35Å; L106-E108 VanDerWaalsContact CD1-OE1 3.27Å; L106-E108 WeakPolarHBondContact CD1-OE1 3.41Å; L106-E108 PolarHBondContact O-N 3.18Å; L106-T109 PolarHBondContact O-N 3.02Å
107	K	88.4	Confident	95.3	Very high	211 Å²	211	69.2 Å²	69.2	92%	0.917	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-30.5	-172.2	-176.1	178	177.3	-178	0	112.6
108	E	92.4	Very high	95.3	Very high	141 Å²	141	65 Å²	65	66%	0.659	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-14.8	-177.9	68.4	-80.4	-171.9	0	0	113.9	L106 P110	L106-E108 WeakPolarHBondContact CB-OE1 3.35Å; L106-E108 VanDerWaalsContact CD1-OE1 3.27Å; L106-E108 WeakPolarHBondContact CD1-OE1 3.41Å; L106-E108 PolarHBondContact O-N 3.18Å; E108-P110 WeakPolarHBondContact O-CD 3.47Å
109	T	94.9	Very high	95.4	Very high	32 Å²	32	63.4 Å²	63.4	20%	0.196	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-79.4	119.3	-176.7	-60.8	0	0	0	0	110	M102 K103 L106	M102-T109 HydrophobicContact CB-CG2 4.11Å; K103-T109 WeakPolarHBondContact O-CB 2.8Å; K103-T109 WeakPolarHBondContact O-CG2 3.5Å; K103-T109 PolarHBondContact O-OG1 3.38Å; L106-T109 PolarHBondContact O-N 3.02Å
110	P	96.6	Very high	95.4	Very high	46 Å²	46	63.2 Å²	63.2	30%	0.299	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-67.6	153.6	176.7	29.7	-35.2	0	0	0	110.8	W82 M102 E108 D114 W115	W82-P110 PolarHBondContact NE1-O 2.9Å; M102-P110 HydrophobicContact SD-CG 4.48Å; E108-P110 WeakPolarHBondContact O-CD 3.47Å; P110-D114 HydrophobicContact CB-CB 4.43Å; P110-W115 HydrophobicContact CB-CB 4.27Å; P110-W115 HydrophobicContact CG-CB 4.06Å
111	S	96.6	Very high	95.3	Very high	43 Å²	43	64.5 Å²	64.5	30%	0.301	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-65.4	164.1	166.7	86.1	0	0	0	0	110.4	E113 D114 W115	S111-E113 VanDerWaalsContact C-N 3.27Å; S111-E113 WeakPolarHBondContact CB-OE2 3.21Å; S111-E113 PolarHBondContact O-N 3.13Å; S111-E113 PolarHBondContact OG-OE2 2.96Å; S111-D114 PolarHBondContact O-N 3.17Å; S111-D114 PolarHBondContact OG-N 3.46Å; S111-D114 VanDerWaalsContact OG-N 3.16Å; S111-D114 PolarHBondContact OG-OD2 3.34Å; S111-W115 WeakPolarHBondContact O-CB 3.31Å; S111-W115 PolarHBondContact O-N 3.01Å
112	Q	97.9	Very high	95.2	Very high	39 Å²	39	70.6 Å²	70.6	18%	0.182	38%	0.384	C	S	.	.	H	α-helix	trans	-61.5	-40.2	178.9	-67.5	178.3	20.5	0	0	111.3	T71 I73 W82 L116 M141	T71-Q112 PolarHBondContact OG1-NE2 3Å; I73-Q112 HydrophobicContact CD1-CB 3.78Å; I73-Q112 HydrophobicContact CD1-CG 3.95Å; W82-Q112 HydrophobicContact CD2-CG 3.74Å; W82-Q112 HydrophobicContact CE3-CG 4.17Å; W82-Q112 HydrophobicContact CG-CG 3.91Å; Q112-L116 WeakPolarHBondContact O-CB 3.21Å; Q112-L116 VanDerWaalsContact O-CG 3.3Å; Q112-L116 WeakPolarHBondContact O-CG 3.46Å; Q112-L116 PolarHBondContact O-N 3.45Å; Q112-M141 HydrophobicContact CB-CE 3.81Å
113	E	97.1	Very high	95.1	Very high	47 Å²	47	75.3 Å²	75.3	22%	0.22	41%	0.41	C	S	.	.	H	α-helix	trans	-65.6	-50.5	179.1	-47.9	71	-160.8	0	0	110.8	S111 W115 L116 I117 M141 A144	S111-E113 VanDerWaalsContact C-N 3.27Å; S111-E113 WeakPolarHBondContact CB-OE2 3.21Å; S111-E113 PolarHBondContact O-N 3.13Å; S111-E113 PolarHBondContact OG-OE2 2.96Å; E113-W115 VanDerWaalsContact C-N 3.31Å; E113-W115 PolarHBondContact O-N 3.22Å; E113-L116 PolarHBondContact O-N 2.89Å; E113-I117 WeakPolarHBondContact O-CD1 3.45Å; E113-I117 VanDerWaalsContact O-CG1 3.24Å; E113-I117 WeakPolarHBondContact O-CG1 3.31Å; E113-I117 PolarHBondContact O-N 3.02Å; E113-M141 HydrophobicContact CB-SD 4.25Å; E113-M141 HydrophobicContact CG-CE 3.77Å; E113-M141 HydrophobicContact CG-SD 3.73Å; E113-A144 HydrophobicContact CB-CB 3.69Å; E113-A144 HydrophobicContact CG-CB 3.82Å
114	D	97.2	Very high	95.3	Very high	100 Å²	100	71.1 Å²	71.1	54%	0.535	39%	0.392	S	S	.	.	H	α-helix	trans	-63.5	-39.4	-178.5	-71.2	-18.8	0	0	0	111.1	P110 S111 I117 S118	P110-D114 HydrophobicContact CB-CB 4.43Å; S111-D114 PolarHBondContact O-N 3.17Å; S111-D114 PolarHBondContact OG-N 3.46Å; S111-D114 VanDerWaalsContact OG-N 3.16Å; S111-D114 PolarHBondContact OG-OD2 3.34Å; D114-I117 PolarHBondContact O-N 2.84Å; D114-S118 WeakPolarHBondContact O-CB 3.44Å; D114-S118 PolarHBondContact O-N 2.98Å
115	W	98.4	Very high	95.5	Very high	24 Å²	24	68.9 Å²	68.9	9%	0.091	38%	0.38	C	S	.	.	H	α-helix	trans	-64.3	-47.8	175.2	-177.6	80	0	0	0	111.8	I73 T75 H78 A80 W82 M102 P110 S111 E113 I117 S118 V119	I73-W115 HydrophobicContact CB-CZ3 4.01Å; I73-W115 HydrophobicContact CG2-CE3 4.41Å; I73-W115 HydrophobicContact CG2-CZ3 3.71Å; T75-W115 HydrophobicContact CG2-CH2 3.86Å; T75-W115 HydrophobicContact CG2-CZ3 3.89Å; H78-W115 HydrophobicContact CB-CH2 3.85Å; H78-W115 HydrophobicContact CB-CZ2 3.79Å; A80-W115 HydrophobicContact CB-CH2 3.7Å; A80-W115 HydrophobicContact CB-CZ2 3.69Å; A80-W115 HydrophobicContact CB-CZ3 4.26Å; W82-W115 HydrophobicContact CH2-CB 3.99Å; W82-W115 AromaticContact CH2-CD2 3.49Å; W82-W115 HydrophobicContact CH2-CD2 3.49Å; W82-W115 VanDerWaalsContact CH2-CD2 3.49Å; W82-W115 AromaticContact CH2-CE3 3.47Å; W82-W115 HydrophobicContact CH2-CE3 3.47Å; W82-W115 VanDerWaalsContact CH2-CE3 3.47Å; W82-W115 AromaticContact CH2-CG 3.73Å; W82-W115 HydrophobicContact CH2-CG 3.73Å; W82-W115 HydrophobicContact CH2-CZ3 4.05Å; W82-W115 HydrophobicContact CZ2-CB 3.65Å; W82-W115 HydrophobicContact CZ2-CD2 4.07Å; W82-W115 HydrophobicContact CZ2-CE3 4.33Å; W82-W115 AromaticContact CZ2-CG 3.78Å; W82-W115 HydrophobicContact CZ2-CG 3.78Å; W82-W115 HydrophobicContact CZ3-CE3 4.27Å; W82-W115 HydrophobicContact CZ3-CZ3 4.48Å; M102-W115 HydrophobicContact CE-CD2 4.27Å; M102-W115 HydrophobicContact CE-CG 4.12Å; M102-W115 HydrophobicContact CE-CZ2 4.29Å; M102-W115 VanDerWaalsContact CE-NE1 3.25Å; P110-W115 HydrophobicContact CB-CB 4.27Å; P110-W115 HydrophobicContact CG-CB 4.06Å; S111-W115 WeakPolarHBondContact O-CB 3.31Å; S111-W115 PolarHBondContact O-N 3.01Å; E113-W115 VanDerWaalsContact C-N 3.31Å; E113-W115 PolarHBondContact O-N 3.22Å; W115-I117 VanDerWaalsContact C-N 3.31Å; W115-I117 PolarHBondContact O-N 3.4Å; W115-S118 PolarHBondContact O-N 3.05Å; W115-S118 PolarHBondContact O-OG 2.76Å; W115-V119 HydrophobicContact CD2-CG1 4.32Å; W115-V119 HydrophobicContact CD2-CG2 4.17Å; W115-V119 HydrophobicContact CE3-CG2 4.09Å; W115-V119 HydrophobicContact CH2-CG2 4.19Å; W115-V119 HydrophobicContact CZ2-CG1 4.25Å; W115-V119 HydrophobicContact CZ2-CG2 4.22Å; W115-V119 HydrophobicContact CZ3-CG2 4.1Å; W115-V119 WeakPolarHBondContact O-CG2 3.42Å; W115-V119 PolarHBondContact O-N 3.1Å; W115-V119 VanDerWaalsContact O-N 3.15Å
116	L	98.4	Very high	96.1	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-55.2	-47.4	176.1	-81.6	166.5	0	0	0	111.3	A38 I40 I73 Q112 E113 S118 V119 L120 V126 M141 L145	A38-L116 HydrophobicContact CB-CD2 3.65Å; I40-L116 HydrophobicContact CD1-CD1 4.29Å; I73-L116 HydrophobicContact CD1-CD1 4.22Å; I73-L116 HydrophobicContact CD1-CG 4.38Å; I73-L116 HydrophobicContact CG2-CD2 3.68Å; I73-L116 HydrophobicContact CG2-CG 4.28Å; Q112-L116 WeakPolarHBondContact O-CB 3.21Å; Q112-L116 VanDerWaalsContact O-CG 3.3Å; Q112-L116 WeakPolarHBondContact O-CG 3.46Å; Q112-L116 PolarHBondContact O-N 3.45Å; E113-L116 PolarHBondContact O-N 2.89Å; L116-S118 PolarHBondContact O-N 3.03Å; L116-V119 PolarHBondContact O-N 3Å; L116-L120 HydrophobicContact CB-CD1 4.16Å; L116-L120 HydrophobicContact CD2-CD1 3.88Å; L116-L120 HydrophobicContact CD2-CG 4.38Å; L116-L120 WeakPolarHBondContact O-CB 3.49Å; L116-L120 WeakPolarHBondContact O-CG 3.37Å; L116-L120 PolarHBondContact O-N 3.14Å; L116-V126 HydrophobicContact CD1-CG1 4.12Å; L116-V126 HydrophobicContact CD2-CG1 4.37Å; L116-V126 HydrophobicContact CD2-CG2 4.37Å; L116-M141 HydrophobicContact CD1-CE 4.29Å; L116-M141 HydrophobicContact CD1-SD 3.74Å; L116-L145 HydrophobicContact CB-CD2 4.03Å; L116-L145 HydrophobicContact CD1-CD2 4.35Å
117	I	98.1	Very high	96.6	Very high	57 Å²	57	61.6 Å²	61.6	29%	0.292	32%	0.322	S	S	.	.	H	α-helix	trans	-59.9	-36.9	177.9	-67.1	163.9	0	0	0	111.2	E113 D114 W115 L145 A148	E113-I117 WeakPolarHBondContact O-CD1 3.45Å; E113-I117 VanDerWaalsContact O-CG1 3.24Å; E113-I117 WeakPolarHBondContact O-CG1 3.31Å; E113-I117 PolarHBondContact O-N 3.02Å; D114-I117 PolarHBondContact O-N 2.84Å; W115-I117 VanDerWaalsContact C-N 3.31Å; W115-I117 PolarHBondContact O-N 3.4Å; I117-L145 HydrophobicContact CG1-CD2 4.24Å; I117-A148 HydrophobicContact CB-CB 4.35Å; I117-A148 HydrophobicContact CD1-CB 3.83Å; I117-A148 HydrophobicContact CG1-CB 3.66Å; I117-A148 HydrophobicContact CG2-CB 3.79Å
118	S	97.5	Very high	97	Very high	86 Å²	86	51.6 Å²	51.6	60%	0.601	28%	0.278	S	S	*	.	H	α-helix	trans	-74.1	-26	-178.2	76	0	0	0	0	114.7	D114 W115 L116	D114-S118 WeakPolarHBondContact O-CB 3.44Å; D114-S118 PolarHBondContact O-N 2.98Å; W115-S118 PolarHBondContact O-N 3.05Å; W115-S118 PolarHBondContact O-OG 2.76Å; L116-S118 PolarHBondContact O-N 3.03Å
119	V	98	Very high	97.2	Very high	43 Å²	43	45.2 Å²	45.2	26%	0.261	25%	0.248	S	C	.	.	H	α-helix	trans	-109.9	-13.5	-172.7	-56.3	0	0	0	0	114.1	T75 W115 L116	T75-V119 HydrophobicContact CG2-CG2 4.15Å; W115-V119 HydrophobicContact CD2-CG1 4.32Å; W115-V119 HydrophobicContact CD2-CG2 4.17Å; W115-V119 HydrophobicContact CE3-CG2 4.09Å; W115-V119 HydrophobicContact CH2-CG2 4.19Å; W115-V119 HydrophobicContact CZ2-CG1 4.25Å; W115-V119 HydrophobicContact CZ2-CG2 4.22Å; W115-V119 HydrophobicContact CZ3-CG2 4.1Å; W115-V119 WeakPolarHBondContact O-CG2 3.42Å; W115-V119 PolarHBondContact O-N 3.1Å; W115-V119 VanDerWaalsContact O-N 3.15Å; L116-V119 PolarHBondContact O-N 3Å
120	L	98.1	Very high	97.3	Very high	18 Å²	18	43.7 Å²	43.7	9%	0.094	24%	0.239	C	C	.	.	S	Bend	trans	-88.5	142.3	-175.7	-76.4	178	0	0	0	112.8	H37 A38 T75 L116 V126	H37-L120 HydrophobicContact CB-CD2 3.8Å; A38-L120 HydrophobicContact CB-CD1 4.48Å; A38-L120 HydrophobicContact CB-CD2 4.13Å; T75-L120 HydrophobicContact CG2-CD2 4.5Å; L116-L120 HydrophobicContact CB-CD1 4.16Å; L116-L120 HydrophobicContact CD2-CD1 3.88Å; L116-L120 HydrophobicContact CD2-CG 4.38Å; L116-L120 WeakPolarHBondContact O-CB 3.49Å; L116-L120 WeakPolarHBondContact O-CG 3.37Å; L116-L120 PolarHBondContact O-N 3.14Å; L120-V126 HydrophobicContact CD1-CG2 3.51Å
121	P	96.9	Very high	97.3	Very high	74 Å²	74	44.1 Å²	44.1	48%	0.481	24%	0.235	S	C	.	.	P	Polyproline II helix	trans	-58.9	155.8	165.8	-22.3	32.1	0	0	0	112.5	S124 H150	P121-S124 WeakPolarHBondContact CD-OG 3.34Å; P121-S124 VanDerWaalsContact O-CB 3.28Å; P121-S124 WeakPolarHBondContact O-CB 2.97Å; P121-S124 PolarHBondContact O-N 3.41Å; P121-S124 PolarHBondContact O-OG 3.42Å; P121-H150 PolarHBondContact O-CE1 3.36Å; P121-H150 PolarHBondContact O-ND1 3.46Å
122	E	95.9	Very high	97.2	Very high	170 Å²	170	42.5 Å²	42.5	79%	0.794	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.6	143.4	172.9	-65.7	-173.4	171.8	0	0	111.8	S124	E122-S124 PolarHBondContact O-N 2.86Å
123	N	96.1	Very high	97.1	Very high	123 Å²	123	41 Å²	41	66%	0.658	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.5	21.5	178.6	-53.2	-61.4	0	0	0	115.5	G149	N123-G149 WeakPolarHBondContact CA-O 3.19Å; N123-G149 PolarHBondContact OD1-O 3.13Å
124	S	97.4	Very high	96.9	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.208	C	C	.	.			trans	-60.9	150.9	176	-74	0	0	0	0	114.8	P121 E122 H150 S151	P121-S124 WeakPolarHBondContact CD-OG 3.34Å; P121-S124 VanDerWaalsContact O-CB 3.28Å; P121-S124 WeakPolarHBondContact O-CB 2.97Å; P121-S124 PolarHBondContact O-N 3.41Å; P121-S124 PolarHBondContact O-OG 3.42Å; E122-S124 PolarHBondContact O-N 2.86Å; S124-H150 PolarHBondContact N-ND1 3.01Å; S124-H150 WeakPolarHBondContact O-CA 3.5Å; S124-H150 WeakPolarHBondContact O-CB 3.3Å; S124-S151 PolarHBondContact O-N 3.02Å
125	K	97.3	Very high	96.7	Very high	40 Å²	40	35.2 Å²	35.2	17%	0.174	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	127.8	172	-69.1	-178	172	176.2	0	110.5	E34 I36 H37 A38 S151 V153	E34-K125 HydrophobicContact CB-CD 4.37Å; E34-K125 IonicContact OE1-NZ 2.69Å; E34-K125 PolarHBondContact OE1-NZ 3.1Å; E34-K125 VanDerWaalsContact OE1-NZ 3.1Å; E34-K125 WeakPolarHBondContact OE2-CE 3.3Å; E34-K125 IonicContact OE2-NZ 3.48Å; E34-K125 PolarHBondContact OE2-NZ 2.87Å; I36-K125 HydrophobicContact CG2-CB 4.16Å; H37-K125 PolarHBondContact N-O 3.38Å; H37-K125 PolarHBondContact ND1-N 3.04Å; A38-K125 PolarHBondContact N-O 3.25Å; K125-S151 CarbonylContact C-O 3.57Å; K125-S151 WeakPolarHBondContact CA-O 3.37Å; K125-S151 WeakPolarHBondContact CG-OG 3.47Å; K125-V153 HydrophobicContact CB-CG1 4.41Å; K125-V153 HydrophobicContact CB-CG2 4.43Å; K125-V153 HydrophobicContact CD-CG1 4.39Å; K125-V153 HydrophobicContact CG-CG1 4.35Å
126	V	98	Very high	96.3	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	114.6	177.9	-175.9	0	0	0	0	108.2	A38 I40 L116 L120 L145 S151 L152 V153	A38-V126 HydrophobicContact CB-CG1 4.07Å; A38-V126 HydrophobicContact CB-CG2 4.25Å; I40-V126 HydrophobicContact CD1-CG1 3.66Å; I40-V126 HydrophobicContact CG1-CG1 3.84Å; L116-V126 HydrophobicContact CD1-CG1 4.12Å; L116-V126 HydrophobicContact CD2-CG1 4.37Å; L116-V126 HydrophobicContact CD2-CG2 4.37Å; L120-V126 HydrophobicContact CD1-CG2 3.51Å; V126-L145 HydrophobicContact CB-CD1 3.85Å; V126-L145 HydrophobicContact CG1-CD1 4.26Å; V126-L145 HydrophobicContact CG2-CD1 3.76Å; V126-L145 HydrophobicContact CG2-CD2 4.26Å; V126-S151 PolarHBondContact N-O 3.35Å; V126-L152 HydrophobicContact CB-CD1 4.14Å; V126-L152 HydrophobicContact CG1-CD1 4.02Å; V126-L152 CarbonylContact O-C 3.49Å; V126-L152 WeakPolarHBondContact O-CA 3.22Å; V126-L152 WeakPolarHBondContact O-CD1 3.32Å; V126-V153 WeakPolarHBondContact O-CG2 3.38Å; V126-V153 PolarHBondContact O-N 2.83Å
127	G	97	Very high	96.1	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	144.6	179.7	0	0	0	0	0	112.5	A38 Y39 I40 V153	A38-G127 PolarHBondContact O-N 2.95Å; Y39-G127 WeakPolarHBondContact CA-O 3.34Å; Y39-G127 WeakPolarHBondContact CD2-O 3.47Å; I40-G127 PolarHBondContact N-O 2.8Å; G127-V153 WeakPolarHBondContact CA-O 3.31Å
128	V	96.9	Very high	95.9	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	146.6	166.7	64	0	0	0	0	109.2	I40 I133 W138 L152 V153 V155	I40-V128 HydrophobicContact CB-CB 4.09Å; I40-V128 HydrophobicContact CB-CG2 4Å; I40-V128 HydrophobicContact CG2-CG2 4.33Å; V128-I133 HydrophobicContact CG1-CD1 4.07Å; V128-I133 HydrophobicContact CG1-CG2 4.04Å; V128-I133 HydrophobicContact CG2-CB 4Å; V128-I133 HydrophobicContact CG2-CD1 4.13Å; V128-I133 HydrophobicContact CG2-CG2 4.1Å; V128-W138 HydrophobicContact CG1-CE3 3.72Å; V128-W138 HydrophobicContact CG1-CH2 4.43Å; V128-W138 HydrophobicContact CG1-CZ3 3.37Å; V128-L152 HydrophobicContact CG1-CD1 3.99Å; V128-L152 HydrophobicContact CG1-CG 4.32Å; V128-V153 PolarHBondContact N-O 3.36Å; V128-V153 VanDerWaalsContact N-O 3.12Å; V128-V155 PolarHBondContact O-N 2.88Å
129	D	96.8	Very high	95.7	Very high	7 Å²	7	43.9 Å²	43.9	4%	0.037	22%	0.219	C	C	.	.			trans	-69.3	118.9	171.9	171.8	-4.9	0	0	0	109.6	W131 I132 I133 V155 N158	D129-W131 PolarHBondContact O-N 3.4Å; D129-W131 WeakPolarHBondContact OD1-CB 3.39Å; D129-W131 PolarHBondContact OD1-N 3.03Å; D129-I132 HydrophobicContact CB-CD1 3.93Å; D129-I132 HydrophobicContact CB-CG1 3.76Å; D129-I132 PolarHBondContact O-N 2.87Å; D129-I133 WeakPolarHBondContact O-CG2 3.42Å; D129-V155 WeakPolarHBondContact CA-O 3.38Å; D129-N158 WeakPolarHBondContact OD2-CB 3.38Å; D129-N158 PolarHBondContact OD2-ND2 2.92Å
130	P	96.3	Very high	95.5	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-16.3	-174.8	31.8	-37.8	0	0	0	113.3	A154 V155 C305 A306	P130-A154 HydrophobicContact CB-CB 4.05Å; P130-A154 HydrophobicContact CG-CB 4.1Å; P130-V155 WeakPolarHBondContact CD-O 3.3Å; P130-C305 HydrophobicContact CB-CB 4.36Å; P130-C305 WeakPolarHBondContact O-CB 3.5Å; P130-C305 PolarHBondContact O-N 3.13Å; P130-A306 HydrophobicContact CB-CB 4.03Å; P130-A306 HydrophobicContact CG-CB 4.24Å; P130-A306 PolarHBondContact O-N 2.83Å
131	W	96.7	Very high	95.4	Very high	56 Å²	56	46 Å²	46	21%	0.212	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-30.6	177.4	-72.6	96	0	0	0	112.4	A46 D129 V280 Y281 S304 A306 L307	A46-W131 WeakPolarHBondContact CA-O 3.49Å; A46-W131 HydrophobicContact CB-CB 4.45Å; A46-W131 HydrophobicContact CB-CE3 4.4Å; D129-W131 PolarHBondContact O-N 3.4Å; D129-W131 WeakPolarHBondContact OD1-CB 3.39Å; D129-W131 PolarHBondContact OD1-N 3.03Å; W131-V280 HydrophobicContact CH2-CG1 4.01Å; W131-V280 HydrophobicContact CZ3-CG1 4.2Å; W131-Y281 HydrophobicContact CH2-CD2 4.11Å; W131-Y281 HydrophobicContact CH2-CG 4.48Å; W131-Y281 AromaticContact CZ2-CD2 3.78Å; W131-Y281 HydrophobicContact CZ2-CD2 3.78Å; W131-Y281 HydrophobicContact CZ2-CG 4.22Å; W131-S304 WeakPolarHBondContact O-CB 3.49Å; W131-A306 HydrophobicContact CD2-CB 3.6Å; W131-A306 HydrophobicContact CE3-CB 4.04Å; W131-A306 HydrophobicContact CG-CB 3.87Å; W131-A306 HydrophobicContact CZ2-CB 4.19Å; W131-L307 HydrophobicContact CH2-CD2 3.85Å; W131-L307 HydrophobicContact CH2-CG 4.25Å; W131-L307 HydrophobicContact CZ3-CD1 4.2Å; W131-L307 HydrophobicContact CZ3-CD2 3.87Å; W131-L307 HydrophobicContact CZ3-CG 3.8Å
132	I	95.6	Very high	95.4	Very high	8 Å²	8	44 Å²	44	4%	0.041	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109	4.4	-170.7	64.6	174.5	0	0	0	114.1	P42 D129	P42-I132 HydrophobicContact CG-CB 4.36Å; P42-I132 HydrophobicContact CG-CD1 4Å; P42-I132 HydrophobicContact CG-CG1 3.89Å; P42-I132 VanDerWaalsContact CG-O 3.27Å; P42-I132 WeakPolarHBondContact CG-O 3.37Å; D129-I132 HydrophobicContact CB-CD1 3.93Å; D129-I132 HydrophobicContact CB-CG1 3.76Å; D129-I132 PolarHBondContact O-N 2.87Å
133	I	95.3	Very high	95.5	Very high	9 Å²	9	43.1 Å²	43.1	5%	0.046	21%	0.21	C	C	.	.	S	Bend	trans	-110	131	170.6	-170.8	172.4	0	0	0	110.2	V128 D129 Q137 W138 C305	V128-I133 HydrophobicContact CG1-CD1 4.07Å; V128-I133 HydrophobicContact CG1-CG2 4.04Å; V128-I133 HydrophobicContact CG2-CB 4Å; V128-I133 HydrophobicContact CG2-CD1 4.13Å; V128-I133 HydrophobicContact CG2-CG2 4.1Å; D129-I133 WeakPolarHBondContact O-CG2 3.42Å; I133-Q137 HydrophobicContact CD1-CB 4.37Å; I133-Q137 HydrophobicContact CG1-CB 3.98Å; I133-W138 HydrophobicContact CD1-CB 4.28Å; I133-W138 HydrophobicContact CD1-CE3 4.47Å; I133-W138 HydrophobicContact CG1-CB 4.5Å; I133-W138 HydrophobicContact CG2-CE3 3.83Å; I133-C305 HydrophobicContact CG2-CB 3.89Å; I133-C305 WeakPolarHBondContact O-CB 3.45Å; I133-C305 PolarHBondContact O-N 3.44Å
134	A	93.6	Very high	95.6	Very high	7 Å²	7	38.6 Å²	38.6	6%	0.058	19%	0.19	C	C	.	.	B	Isolated β-bridge	trans	-67.6	149.1	176.4	0	0	0	0	0	111.3	D136 Q137 W138 K302	A134-D136 VanDerWaalsContact C-N 3.31Å; A134-D136 WeakPolarHBondContact CB-OD1 3.24Å; A134-D136 PolarHBondContact O-N 2.88Å; A134-Q137 HydrophobicContact CB-CB 4.41Å; A134-Q137 HydrophobicContact CB-CG 4.19Å; A134-Q137 PolarHBondContact O-N 3.19Å; A134-W138 PolarHBondContact O-N 3.49Å; A134-K302 WeakPolarHBondContact CB-O 3.25Å
135	A	92.6	Very high	95.6	Very high	18 Å²	18	38.6 Å²	38.6	15%	0.149	19%	0.19	C	C	.	.	H	α-helix	trans	-66	-31.3	-174.9	0	0	0	0	0	113.6	K139 D301 A303 T308	A135-K139 WeakPolarHBondContact O-CB 3.39Å; A135-K139 PolarHBondContact O-N 3.3Å; A135-D301 PolarHBondContact N-O 3.25Å; A135-A303 PolarHBondContact N-O 3.49Å; A135-T308 HydrophobicContact CB-CG2 3.71Å
136	D	90.5	Very high	95.6	Very high	60 Å²	60	40.9 Å²	40.9	32%	0.321	21%	0.207	S	C	.	.	H	α-helix	trans	-68.1	-44.6	174	66.9	-26.6	0	0	0	112.3	A134 K139 N140 D301	A134-D136 VanDerWaalsContact C-N 3.31Å; A134-D136 WeakPolarHBondContact CB-OD1 3.24Å; A134-D136 PolarHBondContact O-N 2.88Å; D136-K139 WeakPolarHBondContact O-CB 3.41Å; D136-K139 PolarHBondContact O-N 3.02Å; D136-N140 PolarHBondContact O-N 2.74Å; D136-N140 PolarHBondContact O-ND2 3.09Å; D136-D301 PolarHBondContact N-O 3.07Å
137	Q	92.7	Very high	95.6	Very high	105 Å²	105	45.6 Å²	45.6	49%	0.491	24%	0.24	S	C	.	.	H	α-helix	trans	-61.2	-48.3	174.2	-68.5	178.4	-9.4	0	0	110.9	I133 A134 K139 N140 M141	I133-Q137 HydrophobicContact CD1-CB 4.37Å; I133-Q137 HydrophobicContact CG1-CB 3.98Å; A134-Q137 HydrophobicContact CB-CB 4.41Å; A134-Q137 HydrophobicContact CB-CG 4.19Å; A134-Q137 PolarHBondContact O-N 3.19Å; Q137-K139 VanDerWaalsContact C-N 3.29Å; Q137-K139 PolarHBondContact O-N 2.82Å; Q137-N140 PolarHBondContact O-N 2.91Å; Q137-M141 WeakPolarHBondContact O-CB 3.3Å; Q137-M141 PolarHBondContact O-N 2.99Å
138	W	95	Very high	95.6	Very high	32 Å²	32	47.6 Å²	47.6	12%	0.121	26%	0.257	C	S	.	.	H	α-helix	trans	-53.8	-48	174.3	176.2	-76.5	0	0	0	111.2	V128 I133 A134 N140 S142 L152 A154 C305	V128-W138 HydrophobicContact CG1-CE3 3.72Å; V128-W138 HydrophobicContact CG1-CH2 4.43Å; V128-W138 HydrophobicContact CG1-CZ3 3.37Å; I133-W138 HydrophobicContact CD1-CB 4.28Å; I133-W138 HydrophobicContact CD1-CE3 4.47Å; I133-W138 HydrophobicContact CG1-CB 4.5Å; I133-W138 HydrophobicContact CG2-CE3 3.83Å; A134-W138 PolarHBondContact O-N 3.49Å; W138-N140 PolarHBondContact O-N 3.46Å; W138-S142 WeakPolarHBondContact O-CB 3.31Å; W138-S142 PolarHBondContact O-N 2.75Å; W138-L152 HydrophobicContact CD2-CD2 3.52Å; W138-L152 HydrophobicContact CD2-CG 4.34Å; W138-L152 HydrophobicContact CE3-CD2 3.64Å; W138-L152 HydrophobicContact CE3-CG 4.18Å; W138-L152 HydrophobicContact CG-CD2 4Å; W138-L152 HydrophobicContact CH2-CD2 4.12Å; W138-L152 HydrophobicContact CH2-CG 3.87Å; W138-L152 HydrophobicContact CZ2-CB 4.38Å; W138-L152 HydrophobicContact CZ2-CD2 4.02Å; W138-L152 HydrophobicContact CZ2-CG 4.04Å; W138-L152 HydrophobicContact CZ3-CD2 3.97Å; W138-L152 HydrophobicContact CZ3-CG 3.97Å; W138-A154 HydrophobicContact CH2-CB 3.74Å; W138-A154 HydrophobicContact CZ3-CB 4.11Å; W138-C305 HydrophobicContact CB-CB 4.23Å; W138-C305 HydrophobicContact CD2-CB 4.35Å; W138-C305 HydrophobicContact CE3-CB 4.2Å; W138-C305 HydrophobicContact CG-CB 4.36Å
139	K	93.5	Very high	95.6	Very high	151 Å²	151	49.4 Å²	49.4	66%	0.657	28%	0.276	S	S	*	.	H	α-helix	trans	-61.6	-43.8	-177.7	-179.3	-173.9	174.3	-168.2	0	111.8	A135 D136 Q137 K143	A135-K139 WeakPolarHBondContact O-CB 3.39Å; A135-K139 PolarHBondContact O-N 3.3Å; D136-K139 WeakPolarHBondContact O-CB 3.41Å; D136-K139 PolarHBondContact O-N 3.02Å; Q137-K139 VanDerWaalsContact C-N 3.29Å; Q137-K139 PolarHBondContact O-N 2.82Å; K139-K143 WeakPolarHBondContact O-CB 3.38Å; K139-K143 PolarHBondContact O-N 3.48Å; K139-K143 VanDerWaalsContact O-N 3.09Å
140	N	93.6	Very high	95.7	Very high	100 Å²	100	49.7 Å²	49.7	54%	0.535	28%	0.277	S	S	.	.	H	α-helix	trans	-68	-49.9	-179.7	-68.2	-20.1	0	0	0	111.3	D136 Q137 W138 K143 A144	D136-N140 PolarHBondContact O-N 2.74Å; D136-N140 PolarHBondContact O-ND2 3.09Å; Q137-N140 PolarHBondContact O-N 2.91Å; W138-N140 PolarHBondContact O-N 3.46Å; N140-K143 PolarHBondContact O-N 3.06Å; N140-A144 PolarHBondContact O-N 2.85Å
141	M	96.4	Very high	95.7	Very high	7 Å²	7	51.7 Å²	51.7	3%	0.034	29%	0.291	C	S	.	.	H	α-helix	trans	-59.3	-48.8	177.1	-179.8	66.1	64.2	0	0	111.6	I40 Q112 E113 L116 Q137 K143 A144 L145 L152	I40-M141 HydrophobicContact CD1-CE 4.23Å; I40-M141 HydrophobicContact CD1-CG 4.31Å; I40-M141 HydrophobicContact CD1-SD 4.31Å; Q112-M141 HydrophobicContact CB-CE 3.81Å; E113-M141 HydrophobicContact CB-SD 4.25Å; E113-M141 HydrophobicContact CG-CE 3.77Å; E113-M141 HydrophobicContact CG-SD 3.73Å; L116-M141 HydrophobicContact CD1-CE 4.29Å; L116-M141 HydrophobicContact CD1-SD 3.74Å; Q137-M141 WeakPolarHBondContact O-CB 3.3Å; Q137-M141 PolarHBondContact O-N 2.99Å; M141-K143 VanDerWaalsContact C-N 3.32Å; M141-K143 PolarHBondContact O-N 2.84Å; M141-A144 PolarHBondContact O-N 2.84Å; M141-L145 HydrophobicContact CG-CD1 3.83Å; M141-L145 HydrophobicContact CG-CG 4.41Å; M141-L145 WeakPolarHBondContact O-CB 3.45Å; M141-L145 WeakPolarHBondContact O-CG 3.11Å; M141-L145 PolarHBondContact O-N 2.89Å; M141-L145 HydrophobicContact SD-CD1 3.81Å; M141-L145 HydrophobicContact SD-CG 4.05Å; M141-L152 HydrophobicContact CB-CD2 4.12Å; M141-L152 HydrophobicContact CG-CD1 3.96Å; M141-L152 HydrophobicContact CG-CD2 3.92Å
142	S	96.9	Very high	95.8	Very high	31 Å²	31	49.8 Å²	49.8	22%	0.217	28%	0.284	C	S	.	.	H	α-helix	trans	-59.4	-42	178.8	177.5	0	0	0	0	111.9	W138 T146	W138-S142 WeakPolarHBondContact O-CB 3.31Å; W138-S142 PolarHBondContact O-N 2.75Å; S142-T146 VanDerWaalsContact O-CB 3.26Å; S142-T146 WeakPolarHBondContact O-CB 3.24Å; S142-T146 PolarHBondContact O-N 3.28Å; S142-T146 PolarHBondContact O-OG1 3.13Å
143	K	97.2	Very high	95.7	Very high	151 Å²	151	51.2 Å²	51.2	66%	0.657	29%	0.294	S	S	*	.	H	α-helix	trans	-64	-46.7	177.4	-176.1	-173.6	175.8	-167.8	0	111.7	K139 N140 M141 S147	K139-K143 WeakPolarHBondContact O-CB 3.38Å; K139-K143 PolarHBondContact O-N 3.48Å; K139-K143 VanDerWaalsContact O-N 3.09Å; N140-K143 PolarHBondContact O-N 3.06Å; M141-K143 VanDerWaalsContact C-N 3.32Å; M141-K143 PolarHBondContact O-N 2.84Å; K143-S147 WeakPolarHBondContact O-CB 3.34Å; K143-S147 PolarHBondContact O-N 3.06Å; K143-S147 VanDerWaalsContact O-N 3.11Å; K143-S147 PolarHBondContact O-OG 3.25Å
144	A	97.4	Very high	95.7	Very high	29 Å²	29	52.7 Å²	52.7	24%	0.24	31%	0.307	C	S	.	.	H	α-helix	trans	-62.4	-51.1	179.7	0	0	0	0	0	111.2	E113 N140 M141 T146 S147 A148	E113-A144 HydrophobicContact CB-CB 3.69Å; E113-A144 HydrophobicContact CG-CB 3.82Å; N140-A144 PolarHBondContact O-N 2.85Å; M141-A144 PolarHBondContact O-N 2.84Å; A144-T146 PolarHBondContact O-N 3.29Å; A144-S147 WeakPolarHBondContact O-CB 3.37Å; A144-S147 PolarHBondContact O-N 2.97Å; A144-A148 PolarHBondContact O-N 3.12Å
145	L	98.1	Very high	95.7	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-60.6	-44.8	179	-69.8	177.4	0	0	0	112.5	L116 I117 V126 M141 S147 A148 G149 H150 L152	L116-L145 HydrophobicContact CB-CD2 4.03Å; L116-L145 HydrophobicContact CD1-CD2 4.35Å; I117-L145 HydrophobicContact CG1-CD2 4.24Å; V126-L145 HydrophobicContact CB-CD1 3.85Å; V126-L145 HydrophobicContact CG1-CD1 4.26Å; V126-L145 HydrophobicContact CG2-CD1 3.76Å; V126-L145 HydrophobicContact CG2-CD2 4.26Å; M141-L145 HydrophobicContact CG-CD1 3.83Å; M141-L145 HydrophobicContact CG-CG 4.41Å; M141-L145 WeakPolarHBondContact O-CB 3.45Å; M141-L145 WeakPolarHBondContact O-CG 3.11Å; M141-L145 PolarHBondContact O-N 2.89Å; M141-L145 HydrophobicContact SD-CD1 3.81Å; M141-L145 HydrophobicContact SD-CG 4.05Å; L145-S147 VanDerWaalsContact C-N 3.27Å; L145-S147 PolarHBondContact O-N 3.47Å; L145-A148 CarbonylContact O-C 3.52Å; L145-A148 PolarHBondContact O-N 3.41Å; L145-A148 VanDerWaalsContact O-N 3.08Å; L145-G149 PolarHBondContact O-N 2.86Å; L145-H150 CarbonylContact C-O 3.48Å; L145-H150 HydrophobicContact CB-CB 4.04Å; L145-H150 HydrophobicContact CD2-CB 4.23Å; L145-H150 WeakPolarHBondContact O-CA 3.48Å; L145-H150 PolarHBondContact O-N 2.9Å; L145-L152 HydrophobicContact CD1-CB 4.15Å; L145-L152 HydrophobicContact CD1-CD1 4.07Å
146	T	97.9	Very high	95.6	Very high	87 Å²	87	56.8 Å²	56.8	53%	0.534	32%	0.322	S	S	.	.	H	α-helix	trans	-61.5	-37.5	178	-55.4	0	0	0	0	111.7	S142 A144 A148 G149 H150	S142-T146 VanDerWaalsContact O-CB 3.26Å; S142-T146 WeakPolarHBondContact O-CB 3.24Å; S142-T146 PolarHBondContact O-N 3.28Å; S142-T146 PolarHBondContact O-OG1 3.13Å; A144-T146 PolarHBondContact O-N 3.29Å; T146-A148 PolarHBondContact O-N 2.63Å; T146-G149 PolarHBondContact O-N 3.31Å; T146-G149 VanDerWaalsContact O-N 3.09Å; T146-H150 VanDerWaalsContact CA-O 3.27Å; T146-H150 WeakPolarHBondContact CA-O 3.45Å; T146-H150 PolarHBondContact N-O 2.78Å
147	S	97.4	Very high	95.6	Very high	100 Å²	100	58.1 Å²	58.1	70%	0.699	33%	0.329	S	S	*	.	H	α-helix	trans	-66.3	-24.8	178.8	-55.5	0	0	0	0	112.5	K143 A144 L145	K143-S147 WeakPolarHBondContact O-CB 3.34Å; K143-S147 PolarHBondContact O-N 3.06Å; K143-S147 VanDerWaalsContact O-N 3.11Å; K143-S147 PolarHBondContact O-OG 3.25Å; A144-S147 WeakPolarHBondContact O-CB 3.37Å; A144-S147 PolarHBondContact O-N 2.97Å; L145-S147 VanDerWaalsContact C-N 3.27Å; L145-S147 PolarHBondContact O-N 3.47Å
148	A	97.4	Very high	95.7	Very high	42 Å²	42	53.6 Å²	53.6	35%	0.347	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	6.2	175	0	0	0	0	0	113.7	I117 A144 L145 T146	I117-A148 HydrophobicContact CB-CB 4.35Å; I117-A148 HydrophobicContact CD1-CB 3.83Å; I117-A148 HydrophobicContact CG1-CB 3.66Å; I117-A148 HydrophobicContact CG2-CB 3.79Å; A144-A148 PolarHBondContact O-N 3.12Å; L145-A148 CarbonylContact O-C 3.52Å; L145-A148 PolarHBondContact O-N 3.41Å; L145-A148 VanDerWaalsContact O-N 3.08Å; T146-A148 PolarHBondContact O-N 2.63Å
149	G	97.5	Very high	95.8	Very high	38 Å²	38	52.1 Å²	52.1	39%	0.392	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.1	10.3	-179.1	0	0	0	0	0	114.9	N123 L145 T146	N123-G149 WeakPolarHBondContact CA-O 3.19Å; N123-G149 PolarHBondContact OD1-O 3.13Å; L145-G149 PolarHBondContact O-N 2.86Å; T146-G149 PolarHBondContact O-N 3.31Å; T146-G149 VanDerWaalsContact O-N 3.09Å
150	H	98.1	Very high	95.9	Very high	13 Å²	13	44.9 Å²	44.9	6%	0.06	27%	0.272	C	S	.	.			trans	-97.6	171.1	173.6	-53.7	-48.4	0	0	0	111.5	P121 S124 L145 T146	P121-H150 PolarHBondContact O-CE1 3.36Å; P121-H150 PolarHBondContact O-ND1 3.46Å; S124-H150 PolarHBondContact N-ND1 3.01Å; S124-H150 WeakPolarHBondContact O-CA 3.5Å; S124-H150 WeakPolarHBondContact O-CB 3.3Å; L145-H150 CarbonylContact C-O 3.48Å; L145-H150 HydrophobicContact CB-CB 4.04Å; L145-H150 HydrophobicContact CD2-CB 4.23Å; L145-H150 WeakPolarHBondContact O-CA 3.48Å; L145-H150 PolarHBondContact O-N 2.9Å; T146-H150 VanDerWaalsContact CA-O 3.27Å; T146-H150 WeakPolarHBondContact CA-O 3.45Å; T146-H150 PolarHBondContact N-O 2.78Å
151	S	97.2	Very high	96.1	Very high	42 Å²	42	42.2 Å²	42.2	29%	0.294	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	138.1	175.3	56.3	0	0	0	0	112.6	S124 K125 V126	S124-S151 PolarHBondContact O-N 3.02Å; K125-S151 CarbonylContact C-O 3.57Å; K125-S151 WeakPolarHBondContact CA-O 3.37Å; K125-S151 WeakPolarHBondContact CG-OG 3.47Å; V126-S151 PolarHBondContact N-O 3.35Å
152	L	97	Very high	96	Very high	15 Å²	15	44.4 Å²	44.4	8%	0.079	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	125.2	170.3	-170.1	68.5	0	0	0	108.7	I40 V126 V128 W138 M141 L145	I40-L152 HydrophobicContact CD1-CD1 4.17Å; V126-L152 HydrophobicContact CB-CD1 4.14Å; V126-L152 HydrophobicContact CG1-CD1 4.02Å; V126-L152 CarbonylContact O-C 3.49Å; V126-L152 WeakPolarHBondContact O-CA 3.22Å; V126-L152 WeakPolarHBondContact O-CD1 3.32Å; V128-L152 HydrophobicContact CG1-CD1 3.99Å; V128-L152 HydrophobicContact CG1-CG 4.32Å; W138-L152 HydrophobicContact CD2-CD2 3.52Å; W138-L152 HydrophobicContact CD2-CG 4.34Å; W138-L152 HydrophobicContact CE3-CD2 3.64Å; W138-L152 HydrophobicContact CE3-CG 4.18Å; W138-L152 HydrophobicContact CG-CD2 4Å; W138-L152 HydrophobicContact CH2-CD2 4.12Å; W138-L152 HydrophobicContact CH2-CG 3.87Å; W138-L152 HydrophobicContact CZ2-CB 4.38Å; W138-L152 HydrophobicContact CZ2-CD2 4.02Å; W138-L152 HydrophobicContact CZ2-CG 4.04Å; W138-L152 HydrophobicContact CZ3-CD2 3.97Å; W138-L152 HydrophobicContact CZ3-CG 3.97Å; M141-L152 HydrophobicContact CB-CD2 4.12Å; M141-L152 HydrophobicContact CG-CD1 3.96Å; M141-L152 HydrophobicContact CG-CD2 3.92Å; L145-L152 HydrophobicContact CD1-CB 4.15Å; L145-L152 HydrophobicContact CD1-CD1 4.07Å
153	V	95.4	Very high	95.9	Very high	39 Å²	39	43.5 Å²	43.5	24%	0.236	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	137	-174.6	-59.7	0	0	0	0	111.3	I36 K125 V126 G127 V128 V155	I36-V153 HydrophobicContact CG2-CG2 3.65Å; K125-V153 HydrophobicContact CB-CG1 4.41Å; K125-V153 HydrophobicContact CB-CG2 4.43Å; K125-V153 HydrophobicContact CD-CG1 4.39Å; K125-V153 HydrophobicContact CG-CG1 4.35Å; V126-V153 WeakPolarHBondContact O-CG2 3.38Å; V126-V153 PolarHBondContact O-N 2.83Å; G127-V153 WeakPolarHBondContact CA-O 3.31Å; V128-V153 PolarHBondContact N-O 3.36Å; V128-V153 VanDerWaalsContact N-O 3.12Å; V153-V155 HydrophobicContact CG2-CG2 4.44Å; V153-V155 PolarHBondContact O-N 3.46Å
154	A	94.3	Very high	95.9	Very high	40 Å²	40	37.6 Å²	37.6	33%	0.331	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	115.7	-178.2	0	0	0	0	0	108.4	P130 W138	P130-A154 HydrophobicContact CB-CB 4.05Å; P130-A154 HydrophobicContact CG-CB 4.1Å; W138-A154 HydrophobicContact CH2-CB 3.74Å; W138-A154 HydrophobicContact CZ3-CB 4.11Å
155	V	93.8	Very high	95.7	Very high	4 Å²	4	43 Å²	43	2%	0.024	27%	0.267	C	S	.	.			trans	-101	105.9	179.7	-170	0	0	0	0	107.8	I36 Y39 V128 D129 P130 V153 D157 L159	I36-V155 HydrophobicContact CD1-CG2 4.4Å; Y39-V155 HydrophobicContact CE2-CB 4.17Å; Y39-V155 HydrophobicContact CE2-CG2 4.12Å; V128-V155 PolarHBondContact O-N 2.88Å; D129-V155 WeakPolarHBondContact CA-O 3.38Å; P130-V155 WeakPolarHBondContact CD-O 3.3Å; V153-V155 HydrophobicContact CG2-CG2 4.44Å; V153-V155 PolarHBondContact O-N 3.46Å; V155-D157 WeakPolarHBondContact CG1-O 3.45Å; V155-L159 HydrophobicContact CG1-CD2 3.81Å; V155-L159 HydrophobicContact CG1-CG 4.07Å
156	Q	89.8	Confident	95.6	Very high	106 Å²	106	48.6 Å²	48.6	50%	0.495	30%	0.298	S	S	.	.	S	Bend	trans	-66.8	-40	-172	-61.6	-60.9	-38.1	0	0	112.5
157	D	91.1	Very high	95.5	Very high	89 Å²	89	48.3 Å²	48.3	48%	0.476	29%	0.287	S	S	.	.	S	Bend	trans	-82	122.7	171.7	-64.1	-59.4	0	0	0	109.6	Y31 V155 L159	Y31-D157 HydrophobicContact CD1-CB 3.92Å; Y31-D157 HydrophobicContact CE1-CB 4.46Å; V155-D157 WeakPolarHBondContact CG1-O 3.45Å; D157-L159 PolarHBondContact O-N 3.4Å
158	N	95	Very high	95.5	Very high	10 Å²	10	46.1 Å²	46.1	5%	0.053	27%	0.27	C	S	.	.			trans	-67	118.8	175.4	-167.1	-66.9	0	0	0	110.2	R58 D129 I160 D161 V162	R58-N158 VanDerWaalsContact CD-ND2 3.34Å; R58-N158 WeakPolarHBondContact CD-ND2 3.43Å; R58-N158 WeakPolarHBondContact CD-OD1 3.34Å; R58-N158 PolarHBondContact NE-ND2 3.5Å; D129-N158 WeakPolarHBondContact OD2-CB 3.38Å; D129-N158 PolarHBondContact OD2-ND2 2.92Å; N158-I160 PolarHBondContact O-N 3.02Å; N158-I160 VanDerWaalsContact OD1-CB 3.29Å; N158-I160 WeakPolarHBondContact OD1-CB 3.44Å; N158-I160 PolarHBondContact OD1-N 3.2Å; N158-D161 HydrophobicContact CB-CB 4.2Å; N158-D161 PolarHBondContact O-N 3.1Å; N158-D161 VanDerWaalsContact O-N 3.16Å; N158-D161 PolarHBondContact OD1-N 3.26Å; N158-V162 PolarHBondContact O-N 2.99Å
159	L	96.1	Very high	95.4	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-71.7	-20.2	-173.9	-55.3	-170.8	0	0	0	112.9	L22 V25 M26 Y31 I36 Y39 V155 D157	L22-L159 HydrophobicContact CD1-CB 3.72Å; V25-L159 HydrophobicContact CG1-CB 4.07Å; V25-L159 HydrophobicContact CG1-CD1 4.25Å; V25-L159 HydrophobicContact CG1-CD2 3.72Å; V25-L159 HydrophobicContact CG1-CG 4.21Å; M26-L159 HydrophobicContact CG-CD1 4.09Å; Y31-L159 HydrophobicContact CD2-CD2 4.43Å; Y31-L159 HydrophobicContact CG-CD2 4.08Å; I36-L159 HydrophobicContact CD1-CD1 3.79Å; Y39-L159 HydrophobicContact CD1-CB 4.29Å; Y39-L159 HydrophobicContact CD1-CD1 4.49Å; Y39-L159 HydrophobicContact CD2-CD1 3.81Å; Y39-L159 HydrophobicContact CD2-CG 4.26Å; Y39-L159 HydrophobicContact CE1-CB 3.78Å; Y39-L159 HydrophobicContact CE1-CD1 4.49Å; Y39-L159 HydrophobicContact CE1-CG 4.18Å; Y39-L159 HydrophobicContact CE2-CB 4.3Å; Y39-L159 HydrophobicContact CE2-CD1 3.83Å; Y39-L159 HydrophobicContact CE2-CG 3.77Å; Y39-L159 HydrophobicContact CG-CD1 4.16Å; Y39-L159 PolarHBondContact OH-N 2.91Å; V155-L159 HydrophobicContact CG1-CD2 3.81Å; V155-L159 HydrophobicContact CG1-CG 4.07Å; D157-L159 PolarHBondContact O-N 3.4Å
160	I	97.3	Very high	95.3	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-70	-43.2	172.2	-57.6	-54.6	0	0	0	110	L22 Y39 V41 R58 F61 I62 N158 V162 V163 W164	L22-I160 HydrophobicContact CD1-CD1 3.94Å; L22-I160 HydrophobicContact CD2-CD1 3.71Å; L22-I160 HydrophobicContact CG-CD1 4.44Å; Y39-I160 HydrophobicContact CE1-CG1 4.34Å; V41-I160 HydrophobicContact CG1-CG1 4.04Å; V41-I160 HydrophobicContact CG2-CD1 4Å; V41-I160 HydrophobicContact CG2-CG1 3.95Å; R58-I160 HydrophobicContact CB-CB 4.06Å; R58-I160 HydrophobicContact CB-CG1 4.2Å; R58-I160 HydrophobicContact CB-CG2 3.82Å; R58-I160 HydrophobicContact CG-CB 4.16Å; R58-I160 HydrophobicContact CG-CG2 4.01Å; F61-I160 HydrophobicContact CD1-CG2 3.58Å; F61-I160 HydrophobicContact CE1-CG2 4.15Å; F61-I160 HydrophobicContact CG-CG2 4.46Å; I62-I160 HydrophobicContact CB-CD1 4Å; I62-I160 HydrophobicContact CD1-CD1 4.25Å; I62-I160 HydrophobicContact CG1-CD1 4Å; I62-I160 HydrophobicContact CG2-CD1 4.44Å; N158-I160 PolarHBondContact O-N 3.02Å; N158-I160 VanDerWaalsContact OD1-CB 3.29Å; N158-I160 WeakPolarHBondContact OD1-CB 3.44Å; N158-I160 PolarHBondContact OD1-N 3.2Å; I160-V162 PolarHBondContact O-N 2.91Å; I160-V163 VanDerWaalsContact O-CG2 3.25Å; I160-V163 WeakPolarHBondContact O-CG2 3.45Å; I160-V163 PolarHBondContact O-N 3.43Å; I160-W164 HydrophobicContact CG2-CE3 4.23Å; I160-W164 VanDerWaalsContact O-CB 3.29Å; I160-W164 WeakPolarHBondContact O-CB 3.47Å; I160-W164 PolarHBondContact O-N 2.73Å
161	D	96.5	Very high	95.2	Very high	44 Å²	44	55.5 Å²	55.5	24%	0.235	30%	0.297	C	S	.	.	H	α-helix	trans	-62.3	-29.2	179.7	-61.9	-4.4	0	0	0	111.5	R58 N158 V163 R167	R58-D161 IonicContact CZ-OD1 2.73Å; R58-D161 IonicContact CZ-OD2 3.82Å; R58-D161 IonicContact NE-OD1 2.84Å; R58-D161 PolarHBondContact NE-OD1 3.32Å; R58-D161 IonicContact NE-OD2 3.54Å; R58-D161 PolarHBondContact NE-OD2 3.28Å; R58-D161 IonicContact NH2-OD1 2.72Å; R58-D161 IonicContact NH2-OD2 2.73Å; R58-D161 PolarHBondContact NH2-OD2 2.86Å; N158-D161 HydrophobicContact CB-CB 4.2Å; N158-D161 PolarHBondContact O-N 3.1Å; N158-D161 VanDerWaalsContact O-N 3.16Å; N158-D161 PolarHBondContact OD1-N 3.26Å; D161-V163 VanDerWaalsContact C-N 3.34Å; D161-V163 PolarHBondContact O-N 3.02Å; D161-R167 IonicContact OD1-CZ 3.52Å; D161-R167 IonicContact OD1-NE 3.12Å; D161-R167 PolarHBondContact OD1-NE 2.98Å; D161-R167 IonicContact OD2-CZ 3.7Å; D161-R167 IonicContact OD2-NE 3.49Å; D161-R167 IonicContact OD2-NH1 3.56Å; D161-R167 PolarHBondContact OD2-NH1 2.84Å; D161-R167 VanDerWaalsContact OD2-NH1 3.14Å; D161-R167 IonicContact OD2-NH2 2.88Å
162	V	94.6	Very high	95.2	Very high	52 Å²	52	56.2 Å²	56.2	32%	0.315	30%	0.302	S	S	.	.	H	α-helix	trans	-65.2	-35.2	174.9	174.7	0	0	0	0	112.7	V25 Y31 N158 I160	V25-V162 HydrophobicContact CG1-CB 4.42Å; V25-V162 HydrophobicContact CG1-CG1 4.14Å; V25-V162 HydrophobicContact CG2-CG1 3.87Å; Y31-V162 HydrophobicContact CD1-CG2 4.44Å; Y31-V162 HydrophobicContact CE1-CG2 3.71Å; Y31-V162 HydrophobicContact CE2-CG1 4.21Å; Y31-V162 WeakPolarHBondContact OH-CG1 3.2Å; N158-V162 PolarHBondContact O-N 2.99Å; I160-V162 PolarHBondContact O-N 2.91Å
163	V	95.6	Very high	95.1	Very high	13 Å²	13	57.5 Å²	57.5	8%	0.079	31%	0.31	C	S	.	.	H	α-helix	trans	-99.4	-5.7	-178.1	-60.5	0	0	0	0	112.9	L21 V25 F61 I160 D161 T165	L21-V163 HydrophobicContact CB-CB 4.34Å; L21-V163 HydrophobicContact CB-CG1 3.84Å; V25-V163 HydrophobicContact CG2-CG1 3.84Å; F61-V163 HydrophobicContact CE1-CG2 4.15Å; I160-V163 VanDerWaalsContact O-CG2 3.25Å; I160-V163 WeakPolarHBondContact O-CG2 3.45Å; I160-V163 PolarHBondContact O-N 3.43Å; D161-V163 VanDerWaalsContact C-N 3.34Å; D161-V163 PolarHBondContact O-N 3.02Å; V163-T165 PolarHBondContact O-N 3.34Å
164	W	96.8	Very high	95.2	Very high	27 Å²	27	62.7 Å²	62.7	10%	0.102	33%	0.332	C	S	.	.			trans	-94.9	85.2	-179.7	-166.9	-3.1	0	0	0	110.9	P54 R58 F61 I160 D166 R167	P54-W164 WeakPolarHBondContact O-CH2 3.49Å; R58-W164 HydrophobicContact CG-CE3 4.38Å; R58-W164 HydrophobicContact CG-CZ3 4.02Å; F61-W164 HydrophobicContact CB-CD2 4.18Å; F61-W164 HydrophobicContact CB-CE3 4.15Å; F61-W164 HydrophobicContact CB-CH2 4.04Å; F61-W164 HydrophobicContact CB-CZ2 4.1Å; F61-W164 HydrophobicContact CB-CZ3 4.09Å; F61-W164 HydrophobicContact CD1-CB 4.3Å; F61-W164 HydrophobicContact CD1-CD2 4.24Å; F61-W164 HydrophobicContact CD1-CE3 4.46Å; F61-W164 HydrophobicContact CD1-CG 4.2Å; F61-W164 AromaticContact CD2-CD1 3.53Å; F61-W164 AromaticContact CD2-CD2 3.71Å; F61-W164 HydrophobicContact CD2-CD2 3.71Å; F61-W164 AromaticContact CD2-CE2 3.51Å; F61-W164 HydrophobicContact CD2-CE3 4.49Å; F61-W164 AromaticContact CD2-CG 3.71Å; F61-W164 HydrophobicContact CD2-CG 3.71Å; F61-W164 HydrophobicContact CD2-CZ2 4.12Å; F61-W164 AromaticContact CD2-NE1 3.42Å; F61-W164 HydrophobicContact CE1-CB 3.91Å; F61-W164 HydrophobicContact CE1-CG 4.11Å; F61-W164 HydrophobicContact CE2-CB 4.14Å; F61-W164 AromaticContact CE2-CD1 3.26Å; F61-W164 HydrophobicContact CE2-CD2 4.14Å; F61-W164 AromaticContact CE2-CG 3.61Å; F61-W164 HydrophobicContact CE2-CG 3.61Å; F61-W164 AromaticContact CE2-NE1 3.6Å; F61-W164 AromaticContact CG-CD2 3.76Å; F61-W164 HydrophobicContact CG-CD2 3.76Å; F61-W164 AromaticContact CG-CE2 3.91Å; F61-W164 HydrophobicContact CG-CE3 4.11Å; F61-W164 HydrophobicContact CG-CG 4Å; F61-W164 HydrophobicContact CG-CZ2 4.35Å; F61-W164 HydrophobicContact CZ-CB 3.82Å; F61-W164 AromaticContact CZ-CD1 3.82Å; F61-W164 AromaticContact CZ-CG 3.82Å; F61-W164 HydrophobicContact CZ-CG 3.82Å; I160-W164 HydrophobicContact CG2-CE3 4.23Å; I160-W164 VanDerWaalsContact O-CB 3.29Å; I160-W164 WeakPolarHBondContact O-CB 3.47Å; I160-W164 PolarHBondContact O-N 2.73Å; W164-D166 VanDerWaalsContact C-N 3.32Å; W164-D166 PolarHBondContact NE1-OD1 3.02Å; W164-D166 PolarHBondContact O-N 3.4Å; W164-R167 HydrophobicContact CB-CB 4.24Å; W164-R167 HydrophobicContact CD2-CB 3.77Å; W164-R167 HydrophobicContact CD2-CG 3.83Å; W164-R167 HydrophobicContact CE3-CB 4.23Å; W164-R167 HydrophobicContact CE3-CG 3.79Å; W164-R167 HydrophobicContact CG-CB 3.74Å; W164-R167 HydrophobicContact CG-CG 4.3Å; W164-R167 HydrophobicContact CZ3-CG 4.19Å; W164-R167 PolarHBondContact O-N 3.01Å
165	T	93.8	Very high	95.4	Very high	141 Å²	141	61.2 Å²	61.2	87%	0.865	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-28.8	-172.6	49.4	0	0	0	0	114.7	V163	V163-T165 PolarHBondContact O-N 3.34Å
166	D	95.1	Very high	95.6	Very high	118 Å²	118	66.7 Å²	66.7	63%	0.631	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.9	31.8	-177.2	62.2	-29	0	0	0	111.7	W164 P168	W164-D166 VanDerWaalsContact C-N 3.32Å; W164-D166 PolarHBondContact NE1-OD1 3.02Å; W164-D166 PolarHBondContact O-N 3.4Å; D166-P168 WeakPolarHBondContact O-CD 3.48Å
167	R	96.7	Very high	96	Very high	81 Å²	81	63.6 Å²	63.6	31%	0.306	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-56.9	125.5	178.7	-174.4	178.5	177.2	-133.9	-3.7	110.7	C55 D56 D161 W164	C55-R167 VanDerWaalsContact O-CZ 3.28Å; C55-R167 PolarHBondContact O-NE 3.36Å; C55-R167 PolarHBondContact O-NH2 3.12Å; D56-R167 IonicContact OD1-NH2 3.96Å; D56-R167 PolarHBondContact OD1-NH2 2.94Å; D161-R167 IonicContact OD1-CZ 3.52Å; D161-R167 IonicContact OD1-NE 3.12Å; D161-R167 PolarHBondContact OD1-NE 2.98Å; D161-R167 IonicContact OD2-CZ 3.7Å; D161-R167 IonicContact OD2-NE 3.49Å; D161-R167 IonicContact OD2-NH1 3.56Å; D161-R167 PolarHBondContact OD2-NH1 2.84Å; D161-R167 VanDerWaalsContact OD2-NH1 3.14Å; D161-R167 IonicContact OD2-NH2 2.88Å; W164-R167 HydrophobicContact CB-CB 4.24Å; W164-R167 HydrophobicContact CD2-CB 3.77Å; W164-R167 HydrophobicContact CD2-CG 3.83Å; W164-R167 HydrophobicContact CE3-CB 4.23Å; W164-R167 HydrophobicContact CE3-CG 3.79Å; W164-R167 HydrophobicContact CG-CB 3.74Å; W164-R167 HydrophobicContact CG-CG 4.3Å; W164-R167 HydrophobicContact CZ3-CG 4.19Å; W164-R167 PolarHBondContact O-N 3.01Å
168	P	96.1	Very high	96.3	Very high	55 Å²	55	59.7 Å²	59.7	36%	0.357	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-59.9	150.1	176.4	-24	33.7	0	0	0	112.2	P54 C55 D166	P54-P168 HydrophobicContact CB-CB 4.17Å; P54-P168 HydrophobicContact CB-CG 4.01Å; C55-P168 WeakPolarHBondContact CB-O 3.29Å; D166-P168 WeakPolarHBondContact O-CD 3.48Å
169	E	95.5	Very high	96.5	Very high	182 Å²	182	60.3 Å²	60.3	85%	0.85	32%	0.315	S	S	*	.	P	Polyproline II helix	trans	-66.4	151	171.2	-66.1	-168.1	163.5	0	0	111.2	P171	E169-P171 WeakPolarHBondContact O-CD 3.49Å
170	R	95.8	Very high	96.6	Very high	72 Å²	72	65 Å²	65	27%	0.272	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-65.1	126.8	173.2	-176.3	177.7	-62.8	-66.2	-5.4	109.2	D56 S172 F232	D56-R170 IonicContact OD1-NH2 2.77Å; D56-R170 IonicContact OD2-CZ 3.27Å; D56-R170 IonicContact OD2-NH1 3.75Å; D56-R170 PolarHBondContact OD2-NH1 3.3Å; D56-R170 IonicContact OD2-NH2 3.68Å; D56-R170 PolarHBondContact OD2-NH2 3.39Å; R170-S172 PolarHBondContact O-N 3.26Å; R170-F232 HydrophobicContact CG-CD2 3.56Å; R170-F232 HydrophobicContact CG-CE2 3.58Å; R170-F232 HydrophobicContact CG-CG 4.27Å; R170-F232 HydrophobicContact CG-CZ 4.29Å
171	P	96.7	Very high	96.6	Very high	35 Å²	35	71.1 Å²	71.1	23%	0.227	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-54.2	136.5	175.3	-28.9	36.2	0	0	0	112.6	A53 E169 D224 R250	A53-P171 HydrophobicContact CB-CG 4.08Å; E169-P171 WeakPolarHBondContact O-CD 3.49Å; P171-D224 HydrophobicContact CB-CB 4.11Å; P171-D224 WeakPolarHBondContact CG-O 3.4Å; P171-R250 PolarHBondContact O-NH2 2.75Å
172	S	96.3	Very high	96.7	Very high	57 Å²	57	71.8 Å²	71.8	40%	0.399	37%	0.368	S	S	.	.			trans	-136.5	79.3	173.1	-160.3	0	0	0	0	112	R170 D247 R250	R170-S172 PolarHBondContact O-N 3.26Å; S172-D247 WeakPolarHBondContact CB-OD2 3.31Å; S172-D247 WeakPolarHBondContact OG-CB 3.49Å; S172-D247 PolarHBondContact OG-OD2 3.01Å; S172-R250 PolarHBondContact OG-NE 2.92Å; S172-R250 PolarHBondContact OG-NH2 3.11Å
173	T	95.6	Very high	96.9	Very high	43 Å²	43	69.5 Å²	69.5	26%	0.264	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-85.6	161.2	-174.1	61.7	0	0	0	0	112.3	A223 D224 R250	T173-A223 HydrophobicContact CG2-CB 4.18Å; T173-A223 PolarHBondContact OG1-N 2.97Å; T173-D224 WeakPolarHBondContact CB-OD1 3.35Å; T173-D224 PolarHBondContact N-OD1 2.88Å; T173-D224 PolarHBondContact OG1-N 2.69Å; T173-D224 PolarHBondContact OG1-OD1 2.63Å; T173-R250 WeakPolarHBondContact O-CD 3.4Å
174	Q	96.6	Very high	97.1	Very high	148 Å²	148	70.6 Å²	70.6	69%	0.692	37%	0.368	S	S	*	.	P	Polyproline II helix	trans	-64.8	140.8	175.7	-173.4	177.8	9	0	0	110.5	D253	Q174-D253 PolarHBondContact NE2-OD2 3.23Å
175	L	98.3	Very high	97.1	Very high	8 Å²	8	71.6 Å²	71.6	4%	0.042	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-84	143.8	176.1	-58	179.1	0	0	0	110.9	L220 R221 F231 R250 V256	L175-L220 HydrophobicContact CD1-CD1 4.39Å; L175-R221 CarbonylContact C-O 3.58Å; L175-R221 WeakPolarHBondContact CA-O 3.28Å; L175-F231 HydrophobicContact CD2-CB 3.63Å; L175-F231 HydrophobicContact CD2-CD1 3.71Å; L175-F231 HydrophobicContact CD2-CD2 3.77Å; L175-F231 HydrophobicContact CD2-CE1 4.29Å; L175-F231 HydrophobicContact CD2-CE2 4.34Å; L175-F231 HydrophobicContact CD2-CG 3.42Å; L175-F231 VanDerWaalsContact CD2-CG 3.42Å; L175-R250 HydrophobicContact CD1-CB 3.96Å; L175-R250 HydrophobicContact CG-CB 4.09Å; L175-V256 HydrophobicContact CB-CG2 3.95Å; L175-V256 HydrophobicContact CD1-CG1 4.19Å
176	R	98	Very high	97.4	Very high	119 Å²	119	65.9 Å²	65.9	45%	0.449	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	132.6	173.3	176.6	-175.4	-63.8	-96.5	1.8	109.6	L220 R221	R176-L220 CarbonylContact O-C 3.54Å; R176-L220 VanDerWaalsContact O-CA 3.3Å; R176-L220 WeakPolarHBondContact O-CA 3.41Å; R176-R221 HydrophobicContact CB-CB 4.3Å; R176-R221 PolarHBondContact N-O 2.66Å; R176-R221 PolarHBondContact O-N 2.8Å
177	T	98.5	Very high	97.5	Very high	42 Å²	42	60.4 Å²	60.4	26%	0.258	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	145.8	171.5	56.9	0	0	0	0	110.6	L220 V255 V256 H259	T177-L220 HydrophobicContact CG2-CD2 3.72Å; T177-V255 HydrophobicContact CG2-CG1 4.06Å; T177-V256 HydrophobicContact CG2-CG2 4.46Å; T177-H259 HydrophobicContact CG2-CB 3.53Å
178	L	98.5	Very high	97.6	Very high	6 Å²	6	58 Å²	58	3%	0.031	30%	0.303	C	S	.	.			trans	-115.6	122	173	-65.2	-178.1	0	0	0	110.4	T183 N219 R221 I430 F503	L178-T183 HydrophobicContact CB-CG2 3.54Å; L178-T183 HydrophobicContact CD1-CG2 4.21Å; L178-N219 HydrophobicContact CB-CB 4.47Å; L178-N219 PolarHBondContact N-O 3.21Å; L178-R221 HydrophobicContact CD1-CG 3.77Å; L178-R221 VanDerWaalsContact CD1-CZ 3.43Å; L178-R221 HydrophobicContact CG-CG 4.14Å; L178-I430 HydrophobicContact CD2-CG2 3.82Å; L178-F503 HydrophobicContact CD1-CD1 4.02Å; L178-F503 HydrophobicContact CD2-CD1 3.99Å; L178-F503 HydrophobicContact CD2-CE1 3.98Å
179	G	98.1	Very high	97.7	Very high	24 Å²	24	59.5 Å²	59.5	25%	0.247	31%	0.308	C	S	.	.			trans	-71.1	173.8	175.9	0	0	0	0	0	113.7	E181 Y182 T183	G179-E181 VanDerWaalsContact C-OE2 3.29Å; G179-E181 WeakPolarHBondContact CA-OE2 3.42Å; G179-E181 PolarHBondContact O-N 2.65Å; G179-Y182 PolarHBondContact O-N 3.39Å; G179-T183 PolarHBondContact O-N 3.24Å; G179-T183 PolarHBondContact O-OG1 2.92Å
180	L	98.5	Very high	97.8	Very high	97 Å²	97	51.1 Å²	51.1	51%	0.508	27%	0.269	S	S	.	.	H	α-helix	trans	-69.5	-22.9	179.4	-66.1	-179.9	0	0	0	112.5	Y182 G184 I185	L180-Y182 PolarHBondContact O-N 2.91Å; L180-G184 WeakPolarHBondContact O-CA 3.25Å; L180-G184 PolarHBondContact O-N 2.79Å; L180-I185 VanDerWaalsContact CD2-C 3.42Å
181	E	97.9	Very high	97.9	Very high	130 Å²	130	47.7 Å²	47.7	61%	0.607	26%	0.256	S	S	*	.	H	α-helix	trans	-64.1	-21.3	173	68.3	-79.2	-173.2	0	0	113.3	G179 T334	G179-E181 VanDerWaalsContact C-OE2 3.29Å; G179-E181 WeakPolarHBondContact CA-OE2 3.42Å; G179-E181 PolarHBondContact O-N 2.65Å; E181-T334 WeakPolarHBondContact O-CG2 3.43Å
182	Y	98.4	Very high	98	Very high	58 Å²	58	49.3 Å²	49.3	23%	0.227	27%	0.265	C	S	.	.	H	α-helix	trans	-103.4	-42	173.7	-60.9	-75.3	0	0	0	112.1	G179 L180 I430 D431	G179-Y182 PolarHBondContact O-N 3.39Å; L180-Y182 PolarHBondContact O-N 2.91Å; Y182-I430 HydrophobicContact CD1-CG2 3.79Å; Y182-I430 HydrophobicContact CD2-CG2 4.23Å; Y182-I430 HydrophobicContact CE1-CB 4.14Å; Y182-I430 HydrophobicContact CE1-CG2 3.51Å; Y182-I430 HydrophobicContact CE2-CG2 4.01Å; Y182-I430 HydrophobicContact CG-CG2 4.13Å; Y182-D431 WeakPolarHBondContact CE1-OD1 3.27Å
183	T	98.6	Very high	98.1	Very high	4 Å²	4	49.8 Å²	49.8	3%	0.025	27%	0.266	C	S	.	.	H	α-helix	trans	-93.3	-23.1	-169.4	59	0	0	0	0	114.1	L178 G179 I185 N219 N332	L178-T183 HydrophobicContact CB-CG2 3.54Å; L178-T183 HydrophobicContact CD1-CG2 4.21Å; G179-T183 PolarHBondContact O-N 3.24Å; G179-T183 PolarHBondContact O-OG1 2.92Å; T183-I185 PolarHBondContact O-N 2.93Å; T183-I185 PolarHBondContact OG1-O 3.46Å; T183-N219 HydrophobicContact CG2-CB 4.06Å; T183-N219 WeakPolarHBondContact CG2-OD1 3.23Å; T183-N219 PolarHBondContact OG1-ND2 2.69Å; T183-N332 PolarHBondContact O-ND2 3.24Å
184	G	98.6	Very high	98.2	Very high	35 Å²	35	48 Å²	48	36%	0.361	25%	0.254	S	S	.	.	S	Bend	trans	69.1	-15.2	-177.6	0	0	0	0	0	116.1	L180	L180-G184 WeakPolarHBondContact O-CA 3.25Å; L180-G184 PolarHBondContact O-N 2.79Å
185	I	98.4	Very high	98.3	Very high	49 Å²	49	41.9 Å²	41.9	25%	0.251	23%	0.225	S	C	.	.	S	Bend	trans	-147.8	138.4	-177.6	179.8	167.9	0	0	0	110.7	L180 T183 D189 K190 N219	L180-I185 VanDerWaalsContact CD2-C 3.42Å; T183-I185 PolarHBondContact O-N 2.93Å; T183-I185 PolarHBondContact OG1-O 3.46Å; I185-D189 HydrophobicContact CD1-CB 3.84Å; I185-D189 HydrophobicContact CG1-CB 3.64Å; I185-K190 HydrophobicContact CD1-CG 4.29Å; I185-K190 HydrophobicContact CG1-CG 4.22Å; I185-K190 VanDerWaalsContact CG2-CE 3.42Å; I185-K190 HydrophobicContact CG2-CG 4.31Å; I185-N219 PolarHBondContact O-ND2 2.68Å
186	S	98.4	Very high	98.3	Very high	20 Å²	20	43 Å²	43	14%	0.14	24%	0.238	C	C	.	.			trans	-72.1	155.7	-178.6	76.4	0	0	0	0	111.9	Q188 D189 K190	S186-Q188 PolarHBondContact O-N 3.27Å; S186-Q188 PolarHBondContact OG-OE1 2.96Å; S186-D189 PolarHBondContact O-N 3.35Å; S186-D189 WeakPolarHBondContact OG-CB 3.23Å; S186-D189 PolarHBondContact OG-N 3.19Å; S186-D189 PolarHBondContact OG-OD2 3.11Å; S186-K190 WeakPolarHBondContact O-CG 3.3Å; S186-K190 PolarHBondContact O-N 2.91Å; S186-K190 VanDerWaalsContact O-N 3.07Å
187	W	98.4	Very high	98.3	Very high	4 Å²	4	40.3 Å²	40.3	2%	0.015	23%	0.23	C	C	.	.	H	α-helix	trans	-64.3	-30.1	174.9	68	-102	0	0	0	111.6	K190 I191 L217 F218 N219 I242 H259 L270 V272	W187-K190 WeakPolarHBondContact O-CB 3.03Å; W187-K190 PolarHBondContact O-N 2.91Å; W187-I191 HydrophobicContact CE3-CG1 4.06Å; W187-I191 HydrophobicContact CZ3-CG1 4.4Å; W187-I191 WeakPolarHBondContact O-CG1 3.41Å; W187-I191 PolarHBondContact O-N 2.88Å; W187-L217 WeakPolarHBondContact CA-O 3.18Å; W187-L217 WeakPolarHBondContact CB-O 3.42Å; W187-F218 HydrophobicContact CE3-CD1 4.47Å; W187-N219 PolarHBondContact N-ND2 3.27Å; W187-I242 HydrophobicContact CZ3-CD1 3.89Å; W187-H259 AromaticContact CD1-NE2 3.7Å; W187-H259 PolarHBondContact NE1-O 3.37Å; W187-L270 HydrophobicContact CH2-CB 4.37Å; W187-L270 WeakPolarHBondContact CH2-O 3.31Å; W187-V272 HydrophobicContact CH2-CG2 3.83Å; W187-V272 HydrophobicContact CZ3-CG2 4.05Å
188	Q	97.9	Very high	98.3	Very high	31 Å²	31	38.3 Å²	38.3	15%	0.145	22%	0.218	C	C	.	.	H	α-helix	trans	-63.1	-43.9	175.5	-63.5	88.5	-23.2	0	0	111.5	S186 I191 T192 L270	S186-Q188 PolarHBondContact O-N 3.27Å; S186-Q188 PolarHBondContact OG-OE1 2.96Å; Q188-I191 PolarHBondContact O-N 3.29Å; Q188-T192 WeakPolarHBondContact O-CB 3.42Å; Q188-T192 PolarHBondContact O-N 2.96Å; Q188-T192 PolarHBondContact O-OG1 3.15Å; Q188-L270 HydrophobicContact CB-CD1 3.91Å; Q188-L270 HydrophobicContact CG-CD1 3.89Å
189	D	98	Very high	98.3	Very high	86 Å²	86	42 Å²	42	46%	0.46	24%	0.241	S	C	.	.	H	α-helix	trans	-70.4	-34.5	177.5	-64.1	-39.8	0	0	0	111.4	I185 S186 T192 T193	I185-D189 HydrophobicContact CD1-CB 3.84Å; I185-D189 HydrophobicContact CG1-CB 3.64Å; S186-D189 PolarHBondContact O-N 3.35Å; S186-D189 WeakPolarHBondContact OG-CB 3.23Å; S186-D189 PolarHBondContact OG-N 3.19Å; S186-D189 PolarHBondContact OG-OD2 3.11Å; D189-T192 PolarHBondContact O-N 2.97Å; D189-T193 WeakPolarHBondContact O-CB 3.3Å; D189-T193 PolarHBondContact O-N 2.84Å; D189-T193 PolarHBondContact O-OG1 2.86Å
190	K	98.7	Very high	98.3	Very high	5 Å²	5	48.1 Å²	48.1	2%	0.022	26%	0.263	C	S	.	.	H	α-helix	trans	-62	-46.3	171.7	-68.6	175.4	178.3	-172.1	0	111.6	I185 S186 W187 T192 T193 L194 W216 L217 N219	I185-K190 HydrophobicContact CD1-CG 4.29Å; I185-K190 HydrophobicContact CG1-CG 4.22Å; I185-K190 VanDerWaalsContact CG2-CE 3.42Å; I185-K190 HydrophobicContact CG2-CG 4.31Å; S186-K190 WeakPolarHBondContact O-CG 3.3Å; S186-K190 PolarHBondContact O-N 2.91Å; S186-K190 VanDerWaalsContact O-N 3.07Å; W187-K190 WeakPolarHBondContact O-CB 3.03Å; W187-K190 PolarHBondContact O-N 2.91Å; K190-T192 VanDerWaalsContact C-N 3.34Å; K190-T192 PolarHBondContact O-N 3.23Å; K190-T193 PolarHBondContact O-N 3.03Å; K190-L194 WeakPolarHBondContact O-CB 3.45Å; K190-L194 PolarHBondContact O-N 3.48Å; K190-W216 HydrophobicContact CB-CH2 4.34Å; K190-W216 HydrophobicContact CB-CZ3 4.13Å; K190-W216 HydrophobicContact CD-CD2 4.12Å; K190-W216 HydrophobicContact CD-CE3 3.87Å; K190-W216 HydrophobicContact CD-CH2 3.72Å; K190-W216 HydrophobicContact CD-CZ2 3.97Å; K190-W216 HydrophobicContact CD-CZ3 3.66Å; K190-W216 WeakPolarHBondContact CD-O 3.22Å; K190-W216 HydrophobicContact CG-CH2 3.7Å; K190-W216 HydrophobicContact CG-CZ2 4.26Å; K190-W216 HydrophobicContact CG-CZ3 3.87Å; K190-W216 VanDerWaalsContact NZ-CE2 3.33Å; K190-W216 PolarHBondContact NZ-O 2.92Å; K190-L217 HydrophobicContact CB-CD1 3.92Å; K190-N219 PolarHBondContact NZ-OD1 2.81Å
191	I	98.4	Very high	98.2	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-61	-43.4	174.4	-70.9	-75.5	0	0	0	111	W187 Q188 T193 L194 R195 L217 V237 I242 L270	W187-I191 HydrophobicContact CE3-CG1 4.06Å; W187-I191 HydrophobicContact CZ3-CG1 4.4Å; W187-I191 WeakPolarHBondContact O-CG1 3.41Å; W187-I191 PolarHBondContact O-N 2.88Å; Q188-I191 PolarHBondContact O-N 3.29Å; I191-T193 VanDerWaalsContact C-N 3.34Å; I191-T193 PolarHBondContact O-N 2.78Å; I191-L194 PolarHBondContact O-N 3.21Å; I191-R195 WeakPolarHBondContact O-CG 3.39Å; I191-R195 PolarHBondContact O-N 3.33Å; I191-L217 HydrophobicContact CD1-CD1 3.77Å; I191-L217 HydrophobicContact CD1-CD2 3.84Å; I191-L217 HydrophobicContact CD1-CG 4.01Å; I191-L217 HydrophobicContact CG1-CD1 4.03Å; I191-V237 HydrophobicContact CD1-CG1 4.16Å; I191-V237 HydrophobicContact CD1-CG2 3.9Å; I191-I242 HydrophobicContact CD1-CD1 4.05Å; I191-I242 HydrophobicContact CD1-CG1 4.35Å; I191-I242 HydrophobicContact CD1-CG2 4.43Å; I191-I242 HydrophobicContact CG1-CD1 4.05Å; I191-I242 HydrophobicContact CG2-CD1 3.92Å; I191-I242 HydrophobicContact CG2-CG1 4.44Å; I191-L270 HydrophobicContact CB-CD2 4.42Å; I191-L270 HydrophobicContact CG2-CD2 3.91Å
192	T	97.3	Very high	98.2	Very high	70 Å²	70	54.1 Å²	54.1	43%	0.429	28%	0.278	S	S	.	.	H	α-helix	trans	-61.3	-44.4	177.9	-59.5	0	0	0	0	111	Q188 D189 K190 R195 G196	Q188-T192 WeakPolarHBondContact O-CB 3.42Å; Q188-T192 PolarHBondContact O-N 2.96Å; Q188-T192 PolarHBondContact O-OG1 3.15Å; D189-T192 PolarHBondContact O-N 2.97Å; K190-T192 VanDerWaalsContact C-N 3.34Å; K190-T192 PolarHBondContact O-N 3.23Å; T192-R195 PolarHBondContact O-N 2.71Å; T192-G196 PolarHBondContact O-N 2.83Å
193	T	98.1	Very high	98.2	Very high	67 Å²	67	51.7 Å²	51.7	41%	0.411	27%	0.269	S	S	.	.	H	α-helix	trans	-62.6	-44.1	175.8	-58	0	0	0	0	111.7	D189 K190 I191 G196 K197	D189-T193 WeakPolarHBondContact O-CB 3.3Å; D189-T193 PolarHBondContact O-N 2.84Å; D189-T193 PolarHBondContact O-OG1 2.86Å; K190-T193 PolarHBondContact O-N 3.03Å; I191-T193 VanDerWaalsContact C-N 3.34Å; I191-T193 PolarHBondContact O-N 2.78Å; T193-G196 PolarHBondContact O-N 3.03Å; T193-K197 PolarHBondContact O-N 3.33Å; T193-K197 VanDerWaalsContact O-N 3.1Å
194	L	98.6	Very high	98.2	Very high	4 Å²	4	52.5 Å²	52.5	2%	0.021	28%	0.275	C	S	.	.	H	α-helix	trans	-59.6	-47.3	175.3	172	66.1	0	0	0	111.3	K190 I191 G196 K197 M198 F206 V237 P323 L324	K190-L194 WeakPolarHBondContact O-CB 3.45Å; K190-L194 PolarHBondContact O-N 3.48Å; I191-L194 PolarHBondContact O-N 3.21Å; L194-G196 VanDerWaalsContact C-N 3.3Å; L194-G196 PolarHBondContact O-N 2.88Å; L194-K197 PolarHBondContact O-N 3.39Å; L194-M198 HydrophobicContact CD1-CG 4.44Å; L194-M198 HydrophobicContact CD1-SD 4.43Å; L194-M198 HydrophobicContact CG-SD 4Å; L194-M198 VanDerWaalsContact O-CG 3.32Å; L194-M198 WeakPolarHBondContact O-CG 3.44Å; L194-M198 PolarHBondContact O-N 3.23Å; L194-F206 HydrophobicContact CD1-CD1 4.06Å; L194-F206 HydrophobicContact CD1-CE1 4.39Å; L194-F206 HydrophobicContact CD1-CG 4.31Å; L194-F206 HydrophobicContact CD2-CD1 3.62Å; L194-F206 HydrophobicContact CD2-CE1 4.13Å; L194-F206 HydrophobicContact CD2-CG 4.43Å; L194-F206 HydrophobicContact CG-CD1 4.42Å; L194-V237 HydrophobicContact CD2-CB 4.03Å; L194-V237 HydrophobicContact CD2-CG1 3.97Å; L194-V237 HydrophobicContact CD2-CG2 3.97Å; L194-P323 HydrophobicContact CD1-CB 3.75Å; L194-P323 HydrophobicContact CD1-CG 3.97Å; L194-L324 HydrophobicContact CB-CD2 4.47Å; L194-L324 HydrophobicContact CD1-CD2 4.32Å; L194-L324 HydrophobicContact CD2-CD2 4.29Å
195	R	98.4	Very high	98.2	Very high	21 Å²	21	53 Å²	53	8%	0.079	27%	0.266	C	S	.	.	H	α-helix	trans	-63.2	-33.2	176.7	-75.4	176.8	175.8	161.9	-1.3	112.9	I191 T192 M198 T199 G238 M239 S241 E269	I191-R195 WeakPolarHBondContact O-CG 3.39Å; I191-R195 PolarHBondContact O-N 3.33Å; T192-R195 PolarHBondContact O-N 2.71Å; R195-M198 HydrophobicContact CG-SD 4.41Å; R195-M198 PolarHBondContact O-N 3.49Å; R195-T199 WeakPolarHBondContact O-CB 3.4Å; R195-T199 PolarHBondContact O-N 3.49Å; R195-T199 PolarHBondContact O-OG1 3.1Å; R195-G238 PolarHBondContact NE-O 3.01Å; R195-G238 PolarHBondContact NH2-O 2.75Å; R195-M239 HydrophobicContact CB-CE 4.38Å; R195-M239 WeakPolarHBondContact CD-O 3.39Å; R195-M239 VanDerWaalsContact CZ-O 3.25Å; R195-M239 PolarHBondContact NE-O 2.84Å; R195-M239 VanDerWaalsContact NE-O 3.12Å; R195-S241 PolarHBondContact NH2-O 3.03Å; R195-E269 VanDerWaalsContact CZ-O 3.26Å; R195-E269 PolarHBondContact NH1-O 2.81Å; R195-E269 PolarHBondContact NH2-O 2.72Å
196	G	98.3	Very high	98.2	Very high	31 Å²	31	50.7 Å²	50.7	32%	0.32	25%	0.254	S	S	.	.	H	α-helix	trans	-57.9	-53.6	170	0	0	0	0	0	111.5	T192 T193 L194 M198 T199 E200	T192-G196 PolarHBondContact O-N 2.83Å; T193-G196 PolarHBondContact O-N 3.03Å; L194-G196 VanDerWaalsContact C-N 3.3Å; L194-G196 PolarHBondContact O-N 2.88Å; G196-M198 VanDerWaalsContact C-N 3.31Å; G196-M198 PolarHBondContact O-N 2.94Å; G196-T199 WeakPolarHBondContact O-CB 3.46Å; G196-T199 PolarHBondContact O-N 2.68Å; G196-T199 VanDerWaalsContact O-N 3.11Å; G196-E200 WeakPolarHBondContact O-CG 3.21Å; G196-E200 PolarHBondContact O-N 3.48Å; G196-E200 VanDerWaalsContact O-N 3.08Å
197	K	98.4	Very high	98.2	Very high	62 Å²	62	49.7 Å²	49.7	27%	0.27	25%	0.247	S	C	.	.	H	α-helix	trans	-60.1	-38.2	176	-67.1	-178.9	177.1	-175.4	0	112.5	T193 L194 R201 W298 P323 S327	T193-K197 PolarHBondContact O-N 3.33Å; T193-K197 VanDerWaalsContact O-N 3.1Å; L194-K197 PolarHBondContact O-N 3.39Å; K197-R201 WeakPolarHBondContact O-CG 3.34Å; K197-R201 PolarHBondContact O-N 2.81Å; K197-W298 HydrophobicContact CB-CH2 4.49Å; K197-W298 HydrophobicContact CB-CZ3 4.47Å; K197-W298 WeakPolarHBondContact O-CH2 3.48Å; K197-P323 HydrophobicContact CD-CB 3.7Å; K197-P323 PolarHBondContact NZ-O 3.03Å; K197-S327 PolarHBondContact NZ-OG 3.49Å
198	M	98.4	Very high	98.2	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-62.9	-43.5	174.5	-70.3	168.1	65.4	0	0	111.6	L194 R195 G196 R201 K202 I203 F206 V237 M239 W298	L194-M198 HydrophobicContact CD1-CG 4.44Å; L194-M198 HydrophobicContact CD1-SD 4.43Å; L194-M198 HydrophobicContact CG-SD 4Å; L194-M198 VanDerWaalsContact O-CG 3.32Å; L194-M198 WeakPolarHBondContact O-CG 3.44Å; L194-M198 PolarHBondContact O-N 3.23Å; R195-M198 HydrophobicContact CG-SD 4.41Å; R195-M198 PolarHBondContact O-N 3.49Å; G196-M198 VanDerWaalsContact C-N 3.31Å; G196-M198 PolarHBondContact O-N 2.94Å; M198-R201 CarbonylContact O-C 3.47Å; M198-R201 PolarHBondContact O-N 2.91Å; M198-K202 PolarHBondContact O-N 3.31Å; M198-I203 HydrophobicContact CB-CB 4.08Å; M198-I203 HydrophobicContact CE-CG2 4.33Å; M198-I203 HydrophobicContact CG-CB 4.32Å; M198-I203 HydrophobicContact CG-CG2 4.3Å; M198-I203 PolarHBondContact O-N 3.43Å; M198-F206 HydrophobicContact CE-CB 4.33Å; M198-F206 HydrophobicContact SD-CB 4.04Å; M198-V237 HydrophobicContact SD-CG1 4.49Å; M198-M239 HydrophobicContact CB-SD 4.21Å; M198-M239 HydrophobicContact CE-SD 3.98Å; M198-W298 HydrophobicContact CB-CZ3 4.39Å; M198-W298 HydrophobicContact CG-CE3 3.94Å; M198-W298 HydrophobicContact CG-CZ3 3.81Å
199	T	98.4	Very high	98.3	Very high	85 Å²	85	48.4 Å²	48.4	52%	0.521	24%	0.241	S	C	.	.	H	α-helix	trans	-62.1	-48.1	179.5	-58.7	0	0	0	0	111.6	R195 G196 R201 K202 M239	R195-T199 WeakPolarHBondContact O-CB 3.4Å; R195-T199 PolarHBondContact O-N 3.49Å; R195-T199 PolarHBondContact O-OG1 3.1Å; G196-T199 WeakPolarHBondContact O-CB 3.46Å; G196-T199 PolarHBondContact O-N 2.68Å; G196-T199 VanDerWaalsContact O-N 3.11Å; T199-R201 PolarHBondContact O-N 3.31Å; T199-R201 VanDerWaalsContact O-N 3.15Å; T199-K202 PolarHBondContact O-N 2.93Å; T199-K202 VanDerWaalsContact O-N 3.08Å; T199-M239 VanDerWaalsContact OG1-CE 3.26Å; T199-M239 WeakPolarHBondContact OG1-CE 3.28Å
200	E	97.9	Very high	98.3	Very high	151 Å²	151	45.3 Å²	45.3	71%	0.706	23%	0.228	S	C	*	.	H	α-helix	trans	-55.6	-33.4	177.6	-70.8	171.9	-171.7	0	0	112.5	G196	G196-E200 WeakPolarHBondContact O-CG 3.21Å; G196-E200 PolarHBondContact O-N 3.48Å; G196-E200 VanDerWaalsContact O-N 3.08Å
201	R	97.2	Very high	98.3	Very high	179 Å²	179	45.3 Å²	45.3	68%	0.675	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.9	4.3	-176.7	-62.1	-70.4	-169.6	157	3.9	113.5	K197 M198 T199 I203 W298	K197-R201 WeakPolarHBondContact O-CG 3.34Å; K197-R201 PolarHBondContact O-N 2.81Å; M198-R201 CarbonylContact O-C 3.47Å; M198-R201 PolarHBondContact O-N 2.91Å; T199-R201 PolarHBondContact O-N 3.31Å; T199-R201 VanDerWaalsContact O-N 3.15Å; R201-I203 VanDerWaalsContact C-N 3.34Å; R201-I203 HydrophobicContact CB-CG1 3.83Å; R201-I203 PolarHBondContact O-N 3.18Å; R201-W298 HydrophobicContact CB-CH2 3.76Å; R201-W298 HydrophobicContact CB-CZ2 3.53Å; R201-W298 HydrophobicContact CG-CH2 3.72Å; R201-W298 HydrophobicContact CG-CZ2 3.6Å
202	K	97.8	Very high	98.3	Very high	174 Å²	174	46.5 Å²	46.5	76%	0.757	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.4	46.4	-178.7	-55.1	177.7	-177.9	175.7	0	112.5	M198 T199	M198-K202 PolarHBondContact O-N 3.31Å; T199-K202 PolarHBondContact O-N 2.93Å; T199-K202 VanDerWaalsContact O-N 3.08Å
203	I	98.3	Very high	98.4	Very high	7 Å²	7	43.8 Å²	43.8	4%	0.036	22%	0.217	C	C	.	.			trans	-102.4	132.2	179.1	-56.5	-64.7	0	0	0	109.2	M198 R201 W205 K296 W298 T317	M198-I203 HydrophobicContact CB-CB 4.08Å; M198-I203 HydrophobicContact CE-CG2 4.33Å; M198-I203 HydrophobicContact CG-CB 4.32Å; M198-I203 HydrophobicContact CG-CG2 4.3Å; M198-I203 PolarHBondContact O-N 3.43Å; R201-I203 VanDerWaalsContact C-N 3.34Å; R201-I203 HydrophobicContact CB-CG1 3.83Å; R201-I203 PolarHBondContact O-N 3.18Å; I203-W205 WeakPolarHBondContact CG2-O 3.42Å; I203-K296 HydrophobicContact CD1-CB 3.72Å; I203-W298 HydrophobicContact CB-CD2 4.17Å; I203-W298 HydrophobicContact CB-CE3 4.21Å; I203-W298 HydrophobicContact CD1-CD2 4.08Å; I203-W298 HydrophobicContact CD1-CG 4.02Å; I203-W298 HydrophobicContact CD1-CZ2 4.49Å; I203-W298 HydrophobicContact CG1-CD2 3.59Å; I203-W298 VanDerWaalsContact CG1-CE2 3.49Å; I203-W298 HydrophobicContact CG1-CE3 3.99Å; I203-W298 HydrophobicContact CG1-CG 4.01Å; I203-W298 HydrophobicContact CG1-CH2 4.2Å; I203-W298 HydrophobicContact CG1-CZ2 3.84Å; I203-W298 HydrophobicContact CG1-CZ3 4.26Å; I203-W298 HydrophobicContact CG2-CB 4.03Å; I203-W298 HydrophobicContact CG2-CD2 3.86Å; I203-W298 HydrophobicContact CG2-CE3 3.95Å; I203-W298 HydrophobicContact CG2-CG 3.86Å; I203-T317 HydrophobicContact CD1-CG2 4.26Å
204	S	98.2	Very high	98.4	Very high	21 Å²	21	40.6 Å²	40.6	15%	0.147	20%	0.197	C	C	.	.	S	Bend	trans	-94	-33.6	-177.2	-48	0	0	0	0	111.7	D295 K296	S204-D295 WeakPolarHBondContact OG-CA 3.48Å; S204-D295 WeakPolarHBondContact OG-CB 3.41Å; S204-D295 PolarHBondContact OG-OD1 2.89Å; S204-K296 PolarHBondContact N-O 3.14Å
205	W	98.7	Very high	98.4	Very high	46 Å²	46	40.4 Å²	40.4	17%	0.174	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	144.4	-177.4	-63.9	96.5	0	0	0	111.9	I203 I236 V237 G238 S241 I287 K296 V297 W298	I203-W205 WeakPolarHBondContact CG2-O 3.42Å; W205-I236 HydrophobicContact CE3-CG2 3.6Å; W205-I236 HydrophobicContact CZ3-CG2 4.04Å; W205-V237 CarbonylContact C-O 3.4Å; W205-V237 WeakPolarHBondContact CA-O 3.34Å; W205-G238 VanDerWaalsContact CZ3-CA 3.5Å; W205-S241 VanDerWaalsContact CH2-OG 3.26Å; W205-S241 WeakPolarHBondContact CH2-OG 3.42Å; W205-S241 WeakPolarHBondContact CZ3-OG 3.23Å; W205-I287 HydrophobicContact CD2-CG2 3.81Å; W205-I287 HydrophobicContact CE3-CD1 4.23Å; W205-I287 HydrophobicContact CE3-CG2 4.44Å; W205-I287 HydrophobicContact CG-CG2 3.98Å; W205-I287 HydrophobicContact CH2-CD1 4.26Å; W205-I287 HydrophobicContact CH2-CG1 4.4Å; W205-I287 HydrophobicContact CZ2-CG1 4.46Å; W205-I287 HydrophobicContact CZ2-CG2 4.12Å; W205-I287 HydrophobicContact CZ3-CD1 4.03Å; W205-K296 PolarHBondContact N-O 2.7Å; W205-V297 HydrophobicContact CB-CB 4.48Å; W205-V297 HydrophobicContact CB-CG1 4.14Å; W205-V297 HydrophobicContact CB-CG2 4.17Å; W205-V297 CarbonylContact O-C 3.57Å; W205-V297 VanDerWaalsContact O-CA 3.31Å; W205-V297 WeakPolarHBondContact O-CA 3.39Å; W205-W298 PolarHBondContact O-N 3.27Å
206	F	98.8	Very high	98.4	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	130.8	171.3	168	-111.6	0	0	0	109.7	L194 M198 A208 I236 V237 W298 T322 L324	L194-F206 HydrophobicContact CD1-CD1 4.06Å; L194-F206 HydrophobicContact CD1-CE1 4.39Å; L194-F206 HydrophobicContact CD1-CG 4.31Å; L194-F206 HydrophobicContact CD2-CD1 3.62Å; L194-F206 HydrophobicContact CD2-CE1 4.13Å; L194-F206 HydrophobicContact CD2-CG 4.43Å; L194-F206 HydrophobicContact CG-CD1 4.42Å; M198-F206 HydrophobicContact CE-CB 4.33Å; M198-F206 HydrophobicContact SD-CB 4.04Å; F206-A208 HydrophobicContact CE1-CB 3.73Å; F206-A208 HydrophobicContact CZ-CB 4.05Å; F206-I236 CarbonylContact O-C 3.59Å; F206-I236 WeakPolarHBondContact O-CA 3.34Å; F206-V237 HydrophobicContact CD1-CG2 4.5Å; F206-V237 PolarHBondContact N-O 3Å; F206-V237 PolarHBondContact O-N 3.01Å; F206-W298 HydrophobicContact CB-CB 4.47Å; F206-W298 HydrophobicContact CD2-CB 3.83Å; F206-T322 HydrophobicContact CE2-CG2 3.88Å; F206-T322 HydrophobicContact CZ-CG2 4.03Å; F206-L324 HydrophobicContact CE1-CD1 3.53Å; F206-L324 HydrophobicContact CE1-CG 3.93Å; F206-L324 HydrophobicContact CZ-CD1 3.96Å; F206-L324 HydrophobicContact CZ-CG 4.13Å
207	V	98.8	Very high	98.5	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	114.4	177.3	-174	0	0	0	0	108.8	T209 I236 L284 V297 W298 I299	V207-T209 HydrophobicContact CG1-CG2 4.13Å; V207-I236 HydrophobicContact CG1-CG1 4.35Å; V207-I236 HydrophobicContact CG2-CG1 4.41Å; V207-L284 HydrophobicContact CG2-CD1 3.95Å; V207-V297 HydrophobicContact CG2-CG1 3.8Å; V207-W298 PolarHBondContact N-O 3.23Å; V207-I299 HydrophobicContact CB-CB 4.44Å; V207-I299 HydrophobicContact CB-CD1 4.24Å; V207-I299 HydrophobicContact CB-CG1 4.3Å; V207-I299 HydrophobicContact CG1-CD1 4.23Å
208	A	98.6	Very high	98.5	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	122.5	172.5	0	0	0	0	0	109.8	F206 I214 A235	F206-A208 HydrophobicContact CE1-CB 3.73Å; F206-A208 HydrophobicContact CZ-CB 4.05Å; A208-I214 HydrophobicContact CB-CD1 4.47Å; A208-I214 HydrophobicContact CB-CG1 3.87Å; A208-A235 HydrophobicContact CB-CB 4.17Å; A208-A235 PolarHBondContact N-O 3.15Å; A208-A235 PolarHBondContact O-N 3.29Å; A208-A235 VanDerWaalsContact O-N 3.14Å
209	T	98.4	Very high	98.5	Very high	7 Å²	7	36.1 Å²	36.1	4%	0.043	17%	0.169	C	C	.	.			trans	-114.4	-27.2	177.6	58.5	0	0	0	0	113	H47 V207 Y234 A303 L307	H47-T209 WeakPolarHBondContact CB-O 3.19Å; H47-T209 PolarHBondContact ND1-O 2.94Å; V207-T209 HydrophobicContact CG1-CG2 4.13Å; T209-Y234 HydrophobicContact CG2-CD1 3.93Å; T209-Y234 HydrophobicContact CG2-CE1 3.87Å; T209-A303 HydrophobicContact CG2-CB 3.96Å; T209-L307 HydrophobicContact CG2-CD1 3.7Å
210	A	98.3	Very high	98.5	Very high	21 Å²	21	32.1 Å²	32.1	17%	0.174	14%	0.144	C	C	.	.			trans	-74.3	127.9	179.7	0	0	0	0	0	110.6	D212 E213 I214	A210-D212 VanDerWaalsContact C-N 3.31Å; A210-D212 VanDerWaalsContact CB-OD1 3.28Å; A210-D212 WeakPolarHBondContact CB-OD1 3.48Å; A210-D212 PolarHBondContact O-N 3.23Å; A210-E213 HydrophobicContact CB-CB 4.27Å; A210-E213 HydrophobicContact CB-CG 3.98Å; A210-E213 PolarHBondContact O-N 2.95Å; A210-I214 WeakPolarHBondContact O-CG1 3.4Å; A210-I214 PolarHBondContact O-N 3.46Å
211	L	98.7	Very high	98.6	Very high	6 Å²	6	25.3 Å²	25.3	3%	0.031	11%	0.112	C	C	.	.	H	α-helix	trans	-66.1	-34.5	-172.3	-58.7	-175	0	0	0	112.8	H47 I214 A215 I225 V230 F231 F232	H47-L211 HydrophobicContact CB-CD1 4.29Å; H47-L211 HydrophobicContact CB-CD2 3.97Å; H47-L211 HydrophobicContact CB-CG 3.73Å; H47-L211 VanDerWaalsContact ND1-CD2 3.29Å; H47-L211 WeakPolarHBondContact ND1-CD2 3.33Å; L211-I214 PolarHBondContact O-N 3.1Å; L211-A215 VanDerWaalsContact O-CB 3.31Å; L211-A215 WeakPolarHBondContact O-CB 3.19Å; L211-A215 PolarHBondContact O-N 3.38Å; L211-I225 HydrophobicContact CD1-CG1 4.15Å; L211-V230 HydrophobicContact CB-CB 3.74Å; L211-V230 HydrophobicContact CB-CG1 4.27Å; L211-V230 HydrophobicContact CB-CG2 3.8Å; L211-V230 HydrophobicContact CD1-CG2 3.84Å; L211-V230 HydrophobicContact CG-CG2 4.49Å; L211-F231 WeakPolarHBondContact CD2-O 3.49Å; L211-F232 HydrophobicContact CD1-CD1 4.11Å; L211-F232 HydrophobicContact CD1-CE1 4.32Å
212	D	98.6	Very high	98.6	Very high	24 Å²	24	17.2 Å²	17.2	13%	0.128	9%	0.085	C	C	.	.	H	α-helix	trans	-67.2	-39.6	177.5	67.2	-44.6	0	0	0	111.7	A210 W216 V230 K328 L504	A210-D212 VanDerWaalsContact C-N 3.31Å; A210-D212 VanDerWaalsContact CB-OD1 3.28Å; A210-D212 WeakPolarHBondContact CB-OD1 3.48Å; A210-D212 PolarHBondContact O-N 3.23Å; D212-W216 VanDerWaalsContact O-CB 3.32Å; D212-W216 WeakPolarHBondContact O-CB 3.39Å; D212-W216 PolarHBondContact O-N 2.85Å; D212-V230 HydrophobicContact CB-CG1 4.21Å; D212-K328 WeakPolarHBondContact OD2-CE 3.38Å; D212-K328 IonicContact OD2-NZ 3.27Å; D212-K328 PolarHBondContact OD2-NZ 3.25Å; D212-L504 HydrophobicContact CB-CD1 4.21Å; D212-L504 HydrophobicContact CB-CD2 3.75Å; D212-L504 HydrophobicContact CB-CG 3.84Å
213	E	98.8	Very high	98.6	Very high	13 Å²	13	11.8 Å²	11.8	6%	0.061	7%	0.073	C	C	.	.	H	α-helix	trans	-63.4	-40.7	173.1	-68	-174.1	-168.6	0	0	112.2	A210 W216 L217 T322 L324 C325	A210-E213 HydrophobicContact CB-CB 4.27Å; A210-E213 HydrophobicContact CB-CG 3.98Å; A210-E213 PolarHBondContact O-N 2.95Å; E213-W216 PolarHBondContact O-N 2.68Å; E213-L217 WeakPolarHBondContact O-CB 3.26Å; E213-L217 PolarHBondContact O-N 3.1Å; E213-T322 WeakPolarHBondContact OE1-CG2 3.35Å; E213-T322 PolarHBondContact OE1-OG1 3.3Å; E213-T322 WeakPolarHBondContact OE2-CB 3.24Å; E213-T322 WeakPolarHBondContact OE2-CG2 3.46Å; E213-T322 PolarHBondContact OE2-OG1 3.3Å; E213-L324 HydrophobicContact CB-CB 4.12Å; E213-L324 HydrophobicContact CB-CD1 4Å; E213-L324 HydrophobicContact CG-CB 4.06Å; E213-C325 WeakPolarHBondContact OE1-CB 3.4Å
214	I	98.9	Very high	98.6	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-68.3	-46.4	178.9	-62.7	163.5	0	0	0	110.1	A208 A210 L211 W216 L217 F218 F231 A233 A235 L244	A208-I214 HydrophobicContact CB-CD1 4.47Å; A208-I214 HydrophobicContact CB-CG1 3.87Å; A210-I214 WeakPolarHBondContact O-CG1 3.4Å; A210-I214 PolarHBondContact O-N 3.46Å; L211-I214 PolarHBondContact O-N 3.1Å; I214-W216 VanDerWaalsContact C-N 3.34Å; I214-W216 PolarHBondContact O-N 3.19Å; I214-L217 PolarHBondContact O-N 2.98Å; I214-F218 HydrophobicContact CG2-CD2 3.9Å; I214-F218 HydrophobicContact CG2-CE2 4.15Å; I214-F218 WeakPolarHBondContact O-CD2 3.47Å; I214-F218 PolarHBondContact O-N 2.84Å; I214-F218 VanDerWaalsContact O-N 3.11Å; I214-F231 HydrophobicContact CG2-CE2 4.29Å; I214-F231 HydrophobicContact CG2-CZ 4.19Å; I214-A233 HydrophobicContact CD1-CB 4.33Å; I214-A233 WeakPolarHBondContact CD1-O 3.46Å; I214-A233 HydrophobicContact CG2-CB 3.99Å; I214-A235 HydrophobicContact CG1-CB 4.35Å; I214-L244 HydrophobicContact CG2-CD1 4.2Å
215	A	98.9	Very high	98.5	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-57.5	-45.3	174.6	0	0	0	0	0	111.9	L211 N219 L220 R221 V230 F231 L504	L211-A215 VanDerWaalsContact O-CB 3.31Å; L211-A215 WeakPolarHBondContact O-CB 3.19Å; L211-A215 PolarHBondContact O-N 3.38Å; A215-N219 PolarHBondContact O-N 3.29Å; A215-N219 VanDerWaalsContact O-N 3.14Å; A215-L220 CarbonylContact C-O 3.36Å; A215-L220 VanDerWaalsContact CA-O 3.31Å; A215-L220 WeakPolarHBondContact CA-O 3.12Å; A215-L220 VanDerWaalsContact CB-O 3.26Å; A215-L220 WeakPolarHBondContact CB-O 3.42Å; A215-L220 PolarHBondContact O-N 2.95Å; A215-R221 PolarHBondContact O-NH1 3.27Å; A215-R221 VanDerWaalsContact O-NH1 3.14Å; A215-V230 HydrophobicContact CB-CG1 4.39Å; A215-F231 HydrophobicContact CB-CE1 4.04Å; A215-L504 HydrophobicContact CB-CD1 3.95Å
216	W	98.9	Very high	98.3	Very high	21 Å²	21	13.2 Å²	13.2	8%	0.08	8%	0.082	C	C	.	.	H	α-helix	trans	-66.4	-43.7	176.3	-177.6	90.3	0	0	0	112.5	K190 D212 E213 I214 F218 N219 L324 K328 E335 L504	K190-W216 HydrophobicContact CB-CH2 4.34Å; K190-W216 HydrophobicContact CB-CZ3 4.13Å; K190-W216 HydrophobicContact CD-CD2 4.12Å; K190-W216 HydrophobicContact CD-CE3 3.87Å; K190-W216 HydrophobicContact CD-CH2 3.72Å; K190-W216 HydrophobicContact CD-CZ2 3.97Å; K190-W216 HydrophobicContact CD-CZ3 3.66Å; K190-W216 WeakPolarHBondContact CD-O 3.22Å; K190-W216 HydrophobicContact CG-CH2 3.7Å; K190-W216 HydrophobicContact CG-CZ2 4.26Å; K190-W216 HydrophobicContact CG-CZ3 3.87Å; K190-W216 VanDerWaalsContact NZ-CE2 3.33Å; K190-W216 PolarHBondContact NZ-O 2.92Å; D212-W216 VanDerWaalsContact O-CB 3.32Å; D212-W216 WeakPolarHBondContact O-CB 3.39Å; D212-W216 PolarHBondContact O-N 2.85Å; E213-W216 PolarHBondContact O-N 2.68Å; I214-W216 VanDerWaalsContact C-N 3.34Å; I214-W216 PolarHBondContact O-N 3.19Å; W216-F218 VanDerWaalsContact C-N 3.33Å; W216-F218 PolarHBondContact O-N 3.34Å; W216-N219 PolarHBondContact O-N 2.89Å; W216-N219 PolarHBondContact O-OD1 3.49Å; W216-L324 HydrophobicContact CE3-CD2 4.38Å; W216-L324 HydrophobicContact CZ3-CD2 3.97Å; W216-K328 HydrophobicContact CB-CD 4.16Å; W216-K328 HydrophobicContact CD2-CB 3.74Å; W216-K328 HydrophobicContact CE3-CB 4.44Å; W216-K328 HydrophobicContact CG-CB 3.78Å; W216-K328 HydrophobicContact CG-CD 4.2Å; W216-K328 HydrophobicContact CZ2-CB 4.22Å; W216-E335 PolarHBondContact NE1-OE1 3.42Å; W216-L504 HydrophobicContact CB-CD2 4.42Å
217	L	98.9	Very high	98.2	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-59.5	-45.3	-177.9	179.2	60	0	0	0	111.4	W187 K190 I191 E213 I214 V237 L324	W187-L217 WeakPolarHBondContact CA-O 3.18Å; W187-L217 WeakPolarHBondContact CB-O 3.42Å; K190-L217 HydrophobicContact CB-CD1 3.92Å; I191-L217 HydrophobicContact CD1-CD1 3.77Å; I191-L217 HydrophobicContact CD1-CD2 3.84Å; I191-L217 HydrophobicContact CD1-CG 4.01Å; I191-L217 HydrophobicContact CG1-CD1 4.03Å; E213-L217 WeakPolarHBondContact O-CB 3.26Å; E213-L217 PolarHBondContact O-N 3.1Å; I214-L217 PolarHBondContact O-N 2.98Å; L217-V237 HydrophobicContact CD2-CG2 4.23Å; L217-L324 HydrophobicContact CB-CD1 4.17Å; L217-L324 HydrophobicContact CD1-CD2 3.91Å; L217-L324 HydrophobicContact CD2-CD1 4.04Å; L217-L324 HydrophobicContact CG-CD1 4.48Å
218	F	98.8	Very high	98.2	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-92.7	2.3	-175.6	-68	-70	0	0	0	114.3	W187 I214 W216 L220 A235 I242 L244 H259 L260 V272	W187-F218 HydrophobicContact CE3-CD1 4.47Å; I214-F218 HydrophobicContact CG2-CD2 3.9Å; I214-F218 HydrophobicContact CG2-CE2 4.15Å; I214-F218 WeakPolarHBondContact O-CD2 3.47Å; I214-F218 PolarHBondContact O-N 2.84Å; I214-F218 VanDerWaalsContact O-N 3.11Å; W216-F218 VanDerWaalsContact C-N 3.33Å; W216-F218 PolarHBondContact O-N 3.34Å; F218-L220 HydrophobicContact CB-CB 4.44Å; F218-L220 HydrophobicContact CB-CD1 3.96Å; F218-L220 HydrophobicContact CB-CG 4.07Å; F218-L220 PolarHBondContact O-N 3.44Å; F218-A235 HydrophobicContact CE2-CB 3.83Å; F218-A235 HydrophobicContact CZ-CB 4.3Å; F218-I242 HydrophobicContact CE1-CG2 3.9Å; F218-I242 HydrophobicContact CZ-CG2 3.75Å; F218-L244 HydrophobicContact CD2-CD1 4.28Å; F218-L244 HydrophobicContact CE2-CD1 3.94Å; F218-H259 PolarHBondContact O-NE2 3.4Å; F218-L260 HydrophobicContact CB-CD2 4.26Å; F218-L260 HydrophobicContact CD1-CD2 3.87Å; F218-L260 HydrophobicContact CG-CD2 4.37Å; F218-V272 HydrophobicContact CE1-CG2 4.32Å
219	N	98.8	Very high	98.1	Very high	4 Å²	4	16.8 Å²	16.8	2%	0.021	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.5	41.4	-172.2	-68.4	-18	0	0	0	112.3	L178 T183 I185 W187 K190 A215 W216	L178-N219 HydrophobicContact CB-CB 4.47Å; L178-N219 PolarHBondContact N-O 3.21Å; T183-N219 HydrophobicContact CG2-CB 4.06Å; T183-N219 WeakPolarHBondContact CG2-OD1 3.23Å; T183-N219 PolarHBondContact OG1-ND2 2.69Å; I185-N219 PolarHBondContact O-ND2 2.68Å; W187-N219 PolarHBondContact N-ND2 3.27Å; K190-N219 PolarHBondContact NZ-OD1 2.81Å; A215-N219 PolarHBondContact O-N 3.29Å; A215-N219 VanDerWaalsContact O-N 3.14Å; W216-N219 PolarHBondContact O-N 2.89Å; W216-N219 PolarHBondContact O-OD1 3.49Å
220	L	98.8	Very high	98.2	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	154.3	178	-69.8	175.9	0	0	0	110	L175 R176 T177 A215 F218 F231 L260	L175-L220 HydrophobicContact CD1-CD1 4.39Å; R176-L220 CarbonylContact O-C 3.54Å; R176-L220 VanDerWaalsContact O-CA 3.3Å; R176-L220 WeakPolarHBondContact O-CA 3.41Å; T177-L220 HydrophobicContact CG2-CD2 3.72Å; A215-L220 CarbonylContact C-O 3.36Å; A215-L220 VanDerWaalsContact CA-O 3.31Å; A215-L220 WeakPolarHBondContact CA-O 3.12Å; A215-L220 VanDerWaalsContact CB-O 3.26Å; A215-L220 WeakPolarHBondContact CB-O 3.42Å; A215-L220 PolarHBondContact O-N 2.95Å; F218-L220 HydrophobicContact CB-CB 4.44Å; F218-L220 HydrophobicContact CB-CD1 3.96Å; F218-L220 HydrophobicContact CB-CG 4.07Å; F218-L220 PolarHBondContact O-N 3.44Å; L220-F231 HydrophobicContact CB-CE1 3.49Å; L220-F231 VanDerWaalsContact CB-CE1 3.49Å; L220-F231 HydrophobicContact CB-CZ 3.78Å; L220-F231 HydrophobicContact CD1-CZ 4.05Å; L220-L260 HydrophobicContact CD1-CD1 4.15Å; L220-L260 HydrophobicContact CD1-CD2 4.13Å; L220-L260 HydrophobicContact CD1-CG 4.37Å
221	R	98.8	Very high	98.2	Very high	8 Å²	8	15.6 Å²	15.6	3%	0.03	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	159.7	171.5	-62.5	-64.6	-177	-87.6	3.1	110	L175 R176 L178 A215 P229 C502 F503	L175-R221 CarbonylContact C-O 3.58Å; L175-R221 WeakPolarHBondContact CA-O 3.28Å; R176-R221 HydrophobicContact CB-CB 4.3Å; R176-R221 PolarHBondContact N-O 2.66Å; R176-R221 PolarHBondContact O-N 2.8Å; L178-R221 HydrophobicContact CD1-CG 3.77Å; L178-R221 VanDerWaalsContact CD1-CZ 3.43Å; L178-R221 HydrophobicContact CG-CG 4.14Å; A215-R221 PolarHBondContact O-NH1 3.27Å; A215-R221 VanDerWaalsContact O-NH1 3.14Å; R221-P229 WeakPolarHBondContact CA-O 3.27Å; R221-P229 WeakPolarHBondContact CB-O 3.4Å; R221-P229 WeakPolarHBondContact CD-O 3.34Å; R221-C502 PolarHBondContact NH2-O 3.31Å; R221-C502 VanDerWaalsContact NH2-O 3.09Å; R221-F503 HydrophobicContact CB-CE1 4.27Å; R221-F503 HydrophobicContact CB-CZ 4.28Å; R221-F503 WeakPolarHBondContact CD-O 3.41Å; R221-F503 HydrophobicContact CG-CD1 3.98Å; R221-F503 HydrophobicContact CG-CE1 3.73Å; R221-F503 HydrophobicContact CG-CZ 4.11Å; R221-F503 PolarHBondContact NE-O 2.95Å
222	G	97.8	Very high	98.2	Very high	10 Å²	10	15.4 Å²	15.4	10%	0.103	9%	0.087	C	C	.	.			trans	-146.5	-166.2	171.3	0	0	0	0	0	110.7	P229 V230	G222-P229 PolarHBondContact N-O 3.31Å; G222-P229 VanDerWaalsContact N-O 3.16Å; G222-P229 CarbonylContact O-C 3.57Å; G222-P229 WeakPolarHBondContact O-CA 3.14Å; G222-V230 CarbonylContact C-O 3.58Å; G222-V230 VanDerWaalsContact C-O 3.28Å; G222-V230 PolarHBondContact O-N 3.45Å
223	A	97.6	Very high	98.2	Very high	60 Å²	60	14.3 Å²	14.3	50%	0.496	8%	0.081	S	C	.	.			trans	-139.8	33.5	179.1	0	0	0	0	0	111.3	T173 I225 V230	T173-A223 HydrophobicContact CG2-CB 4.18Å; T173-A223 PolarHBondContact OG1-N 2.97Å; A223-I225 VanDerWaalsContact C-N 3.3Å; A223-V230 PolarHBondContact N-O 3.32Å
224	D	98	Very high	98.2	Very high	2 Å²	2	13.7 Å²	13.7	1%	0.011	8%	0.078	C	C	.	.	S	Bend	trans	-74.8	-24.8	-177.7	-67.1	-11.9	0	0	0	112.4	P171 T173 V230 F231 F232 R250	P171-D224 HydrophobicContact CB-CB 4.11Å; P171-D224 WeakPolarHBondContact CG-O 3.4Å; T173-D224 WeakPolarHBondContact CB-OD1 3.35Å; T173-D224 PolarHBondContact N-OD1 2.88Å; T173-D224 PolarHBondContact OG1-N 2.69Å; T173-D224 PolarHBondContact OG1-OD1 2.63Å; D224-V230 PolarHBondContact N-O 2.93Å; D224-V230 VanDerWaalsContact N-O 3.12Å; D224-F231 VanDerWaalsContact OD2-CA 3.23Å; D224-F231 WeakPolarHBondContact OD2-CA 3.3Å; D224-F232 HydrophobicContact CB-CD2 3.62Å; D224-F232 HydrophobicContact CB-CE2 3.8Å; D224-F232 PolarHBondContact OD2-N 3.11Å; D224-R250 IonicContact OD1-CZ 2.68Å; D224-R250 IonicContact OD1-NH1 3.65Å; D224-R250 IonicContact OD1-NH2 3.63Å; D224-R250 IonicContact OD2-CZ 2.66Å; D224-R250 IonicContact OD2-NH1 2.68Å; D224-R250 PolarHBondContact OD2-NH1 3.32Å; D224-R250 IonicContact OD2-NH2 2.75Å; D224-R250 PolarHBondContact OD2-NH2 3.34Å
225	I	96.5	Very high	98.2	Very high	3 Å²	3	13.7 Å²	13.7	2%	0.015	8%	0.078	C	C	.	.	S	Bend	trans	-112.2	129.6	173.8	-57.8	-62.9	0	0	0	107.4	Y51 A53 L211 A223 Y227 N228 V230 F232	Y51-I225 VanDerWaalsContact O-CG2 3.24Å; Y51-I225 WeakPolarHBondContact O-CG2 3.41Å; A53-I225 HydrophobicContact CB-CD1 3.99Å; L211-I225 HydrophobicContact CD1-CG1 4.15Å; A223-I225 VanDerWaalsContact C-N 3.3Å; I225-Y227 PolarHBondContact O-N 3.25Å; I225-N228 HydrophobicContact CB-CB 4.23Å; I225-N228 HydrophobicContact CG2-CB 3.98Å; I225-V230 HydrophobicContact CB-CG2 4.01Å; I225-V230 HydrophobicContact CG1-CG2 3.84Å; I225-F232 HydrophobicContact CD1-CE1 4.08Å; I225-F232 HydrophobicContact CD1-CE2 4.26Å; I225-F232 HydrophobicContact CD1-CZ 3.58Å
226	N	94.8	Very high	98.2	Very high	98 Å²	98	13.7 Å²	13.7	52%	0.524	8%	0.078	S	C	.	.	S	Bend	trans	-57.3	139.5	175.1	-71.5	-23.9	0	0	0	109.7	N228	N226-N228 PolarHBondContact O-N 3.18Å
227	Y	96.7	Very high	98.2	Very high	65 Å²	65	12.7 Å²	12.7	26%	0.255	7%	0.074	S	C	.	.	S	Bend	trans	69.9	-29.6	176.6	-40.8	-66.6	0	0	0	116.7	Y51 I225 P229 L388 S389 P391 Q428	Y51-Y227 HydrophobicContact CD1-CD2 4.33Å; Y51-Y227 HydrophobicContact CD2-CD2 4.29Å; Y51-Y227 HydrophobicContact CG-CD2 4.23Å; I225-Y227 PolarHBondContact O-N 3.25Å; Y227-P229 WeakPolarHBondContact O-CD 3.4Å; Y227-L388 WeakPolarHBondContact CA-O 3.35Å; Y227-L388 HydrophobicContact CD1-CB 4.05Å; Y227-L388 HydrophobicContact CE1-CB 4.21Å; Y227-S389 WeakPolarHBondContact CB-O 3.48Å; Y227-P391 HydrophobicContact CD2-CG 4.3Å; Y227-P391 HydrophobicContact CE1-CG 4.39Å; Y227-P391 VanDerWaalsContact CE2-CD 3.5Å; Y227-P391 HydrophobicContact CE2-CG 3.51Å; Y227-Q428 PolarHBondContact O-NE2 2.92Å
228	N	97.9	Very high	98.1	Very high	3 Å²	3	12.8 Å²	12.8	2%	0.016	8%	0.075	C	C	.	.	S	Bend	trans	-96.5	113.9	175.1	-69.2	-21.5	0	0	0	109.5	I225 N226 V230	I225-N228 HydrophobicContact CB-CB 4.23Å; I225-N228 HydrophobicContact CG2-CB 3.98Å; N226-N228 PolarHBondContact O-N 3.18Å; N228-V230 HydrophobicContact CB-CG2 4.05Å; N228-V230 PolarHBondContact O-N 3.43Å
229	P	98.2	Very high	98	Very high	8 Å²	8	15.8 Å²	15.8	5%	0.052	9%	0.09	C	C	.	.			trans	-77.5	54.9	-174	33.2	-38	0	0	0	112.7	R221 G222 Y227 Q428 F503	R221-P229 WeakPolarHBondContact CA-O 3.27Å; R221-P229 WeakPolarHBondContact CB-O 3.4Å; R221-P229 WeakPolarHBondContact CD-O 3.34Å; G222-P229 PolarHBondContact N-O 3.31Å; G222-P229 VanDerWaalsContact N-O 3.16Å; G222-P229 CarbonylContact O-C 3.57Å; G222-P229 WeakPolarHBondContact O-CA 3.14Å; Y227-P229 WeakPolarHBondContact O-CD 3.4Å; P229-Q428 HydrophobicContact CG-CG 4.45Å; P229-F503 HydrophobicContact CB-CD2 3.95Å; P229-F503 HydrophobicContact CB-CE2 3.46Å; P229-F503 VanDerWaalsContact CB-CE2 3.46Å; P229-F503 HydrophobicContact CB-CZ 4.14Å; P229-F503 HydrophobicContact CG-CD2 3.64Å; P229-F503 HydrophobicContact CG-CE2 3.71Å; P229-F503 WeakPolarHBondContact CG-O 3.34Å
230	V	98.7	Very high	97.7	Very high	3 Å²	3	21.8 Å²	21.8	2%	0.018	12%	0.122	C	C	.	.			trans	-117	172.2	-175.2	-59.3	0	0	0	0	110.7	L211 D212 A215 G222 A223 D224 I225 N228 L504	L211-V230 HydrophobicContact CB-CB 3.74Å; L211-V230 HydrophobicContact CB-CG1 4.27Å; L211-V230 HydrophobicContact CB-CG2 3.8Å; L211-V230 HydrophobicContact CD1-CG2 3.84Å; L211-V230 HydrophobicContact CG-CG2 4.49Å; D212-V230 HydrophobicContact CB-CG1 4.21Å; A215-V230 HydrophobicContact CB-CG1 4.39Å; G222-V230 CarbonylContact C-O 3.58Å; G222-V230 VanDerWaalsContact C-O 3.28Å; G222-V230 PolarHBondContact O-N 3.45Å; A223-V230 PolarHBondContact N-O 3.32Å; D224-V230 PolarHBondContact N-O 2.93Å; D224-V230 VanDerWaalsContact N-O 3.12Å; I225-V230 HydrophobicContact CB-CG2 4.01Å; I225-V230 HydrophobicContact CG1-CG2 3.84Å; N228-V230 HydrophobicContact CB-CG2 4.05Å; N228-V230 PolarHBondContact O-N 3.43Å; V230-L504 HydrophobicContact CG1-CD1 4.11Å
231	F	98.6	Very high	97.4	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.128	C	C	.	.			trans	-143.8	139.8	-174.5	62.8	-93.5	0	0	0	110.6	L175 L211 I214 A215 L220 D224 A233 V246	L175-F231 HydrophobicContact CD2-CB 3.63Å; L175-F231 HydrophobicContact CD2-CD1 3.71Å; L175-F231 HydrophobicContact CD2-CD2 3.77Å; L175-F231 HydrophobicContact CD2-CE1 4.29Å; L175-F231 HydrophobicContact CD2-CE2 4.34Å; L175-F231 HydrophobicContact CD2-CG 3.42Å; L175-F231 VanDerWaalsContact CD2-CG 3.42Å; L211-F231 WeakPolarHBondContact CD2-O 3.49Å; I214-F231 HydrophobicContact CG2-CE2 4.29Å; I214-F231 HydrophobicContact CG2-CZ 4.19Å; A215-F231 HydrophobicContact CB-CE1 4.04Å; L220-F231 HydrophobicContact CB-CE1 3.49Å; L220-F231 VanDerWaalsContact CB-CE1 3.49Å; L220-F231 HydrophobicContact CB-CZ 3.78Å; L220-F231 HydrophobicContact CD1-CZ 4.05Å; D224-F231 VanDerWaalsContact OD2-CA 3.23Å; D224-F231 WeakPolarHBondContact OD2-CA 3.3Å; F231-A233 HydrophobicContact CD2-CB 3.79Å; F231-A233 HydrophobicContact CE2-CB 3.65Å; F231-A233 PolarHBondContact O-N 3.06Å; F231-V246 HydrophobicContact CD2-CG2 4.31Å
232	F	98.7	Very high	97.4	Very high	2 Å²	2	22.3 Å²	22.3	1%	0.009	13%	0.127	C	C	.	.	S	Bend	trans	-59.6	113.2	-178.4	-73	-66.9	0	0	0	110.7	H47 A53 R170 L211 D224 I225 Y277	H47-F232 AromaticContact CD2-CD1 3.75Å; H47-F232 AromaticContact NE2-CD1 3.82Å; A53-F232 HydrophobicContact CB-CE2 4.12Å; A53-F232 HydrophobicContact CB-CZ 3.81Å; R170-F232 HydrophobicContact CG-CD2 3.56Å; R170-F232 HydrophobicContact CG-CE2 3.58Å; R170-F232 HydrophobicContact CG-CG 4.27Å; R170-F232 HydrophobicContact CG-CZ 4.29Å; L211-F232 HydrophobicContact CD1-CD1 4.11Å; L211-F232 HydrophobicContact CD1-CE1 4.32Å; D224-F232 HydrophobicContact CB-CD2 3.62Å; D224-F232 HydrophobicContact CB-CE2 3.8Å; D224-F232 PolarHBondContact OD2-N 3.11Å; I225-F232 HydrophobicContact CD1-CE1 4.08Å; I225-F232 HydrophobicContact CD1-CE2 4.26Å; I225-F232 HydrophobicContact CD1-CZ 3.58Å; F232-Y277 HydrophobicContact CB-CD2 4.29Å; F232-Y277 HydrophobicContact CB-CE2 3.93Å
233	A	98.8	Very high	97.5	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.129	C	C	.	.			trans	-159.4	160.6	179.8	0	0	0	0	0	111.9	H47 I214 F231 L244 F245 V246	H47-A233 PolarHBondContact CE1-O 3.45Å; I214-A233 HydrophobicContact CD1-CB 4.33Å; I214-A233 WeakPolarHBondContact CD1-O 3.46Å; I214-A233 HydrophobicContact CG2-CB 3.99Å; F231-A233 HydrophobicContact CD2-CB 3.79Å; F231-A233 HydrophobicContact CE2-CB 3.65Å; F231-A233 PolarHBondContact O-N 3.06Å; A233-L244 HydrophobicContact CB-CD1 4.26Å; A233-F245 CarbonylContact C-O 3.54Å; A233-F245 WeakPolarHBondContact CA-O 3.49Å; A233-F245 VanDerWaalsContact CB-O 3.28Å; A233-F245 WeakPolarHBondContact CB-O 3.47Å; A233-V246 HydrophobicContact CB-CB 4.45Å
234	Y	98.9	Very high	97.5	Very high	1 Å²	1	21 Å²	21	0%	0.004	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	157.3	160.4	-65.9	-84.3	0	0	0	109.5	A46 H47 T209 F245 Y277 V280 L307	A46-Y234 VanDerWaalsContact CB-OH 3.3Å; A46-Y234 WeakPolarHBondContact CB-OH 3.2Å; A46-Y234 PolarHBondContact O-OH 3.45Å; A46-Y234 VanDerWaalsContact O-OH 3.06Å; H47-Y234 AromaticContact CE1-CD1 3.86Å; H47-Y234 AromaticContact CE1-CD2 3.8Å; H47-Y234 AromaticContact CE1-CE1 3.38Å; H47-Y234 WeakPolarHBondContact CE1-CE1 3.46Å; H47-Y234 AromaticContact CE1-CE2 3.35Å; H47-Y234 WeakPolarHBondContact CE1-CE2 3.48Å; H47-Y234 AromaticContact CE1-CZ 3.11Å; H47-Y234 PolarHBondContact CE1-OH 2.77Å; H47-Y234 AromaticContact ND1-CE1 3.55Å; H47-Y234 AromaticContact ND1-CZ 3.66Å; H47-Y234 AromaticContact NE2-CE2 3.83Å; H47-Y234 AromaticContact NE2-CZ 3.73Å; T209-Y234 HydrophobicContact CG2-CD1 3.93Å; T209-Y234 HydrophobicContact CG2-CE1 3.87Å; Y234-F245 PolarHBondContact N-O 3.16Å; Y234-F245 PolarHBondContact O-N 2.73Å; Y234-Y277 HydrophobicContact CD2-CD2 4.17Å; Y234-Y277 AromaticContact CD2-CE2 3.77Å; Y234-Y277 HydrophobicContact CD2-CE2 3.77Å; Y234-Y277 HydrophobicContact CE2-CD2 4.36Å; Y234-Y277 AromaticContact CE2-CE2 3.59Å; Y234-Y277 HydrophobicContact CE2-CE2 3.59Å; Y234-Y277 AromaticContact CE2-CZ 3.7Å; Y234-V280 HydrophobicContact CD1-CG2 4.3Å; Y234-V280 HydrophobicContact CD2-CB 3.87Å; Y234-V280 HydrophobicContact CD2-CG1 3.58Å; Y234-V280 HydrophobicContact CD2-CG2 4.02Å; Y234-V280 HydrophobicContact CE2-CG1 3.74Å; Y234-V280 HydrophobicContact CG-CB 4.11Å; Y234-V280 HydrophobicContact CG-CG1 4.15Å; Y234-V280 HydrophobicContact CG-CG2 3.73Å; Y234-L307 HydrophobicContact CD1-CD1 3.8Å; Y234-L307 HydrophobicContact CE1-CD1 3.39Å
235	A	98.8	Very high	97.6	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	140.3	168.5	0	0	0	0	0	111.8	A208 I214 F218 R243	A208-A235 HydrophobicContact CB-CB 4.17Å; A208-A235 PolarHBondContact N-O 3.15Å; A208-A235 PolarHBondContact O-N 3.29Å; A208-A235 VanDerWaalsContact O-N 3.14Å; I214-A235 HydrophobicContact CG1-CB 4.35Å; F218-A235 HydrophobicContact CE2-CB 3.83Å; F218-A235 HydrophobicContact CZ-CB 4.3Å; A235-R243 CarbonylContact C-O 3.53Å; A235-R243 VanDerWaalsContact CA-O 3.24Å; A235-R243 WeakPolarHBondContact CA-O 3.41Å
236	I	98.8	Very high	97.6	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	114.7	172.6	-58.6	173.8	0	0	0	108.1	W205 F206 V207 R243 F245 V280 L284 I287	W205-I236 HydrophobicContact CE3-CG2 3.6Å; W205-I236 HydrophobicContact CZ3-CG2 4.04Å; F206-I236 CarbonylContact O-C 3.59Å; F206-I236 WeakPolarHBondContact O-CA 3.34Å; V207-I236 HydrophobicContact CG1-CG1 4.35Å; V207-I236 HydrophobicContact CG2-CG1 4.41Å; I236-R243 HydrophobicContact CB-CB 4.32Å; I236-R243 PolarHBondContact N-O 3.32Å; I236-R243 PolarHBondContact O-N 3.38Å; I236-F245 HydrophobicContact CB-CE2 4.25Å; I236-F245 HydrophobicContact CD1-CE2 3.68Å; I236-F245 HydrophobicContact CD1-CZ 3.91Å; I236-F245 HydrophobicContact CG1-CE2 3.79Å; I236-V280 HydrophobicContact CD1-CG2 4.45Å; I236-L284 HydrophobicContact CD1-CB 4.05Å; I236-L284 HydrophobicContact CD1-CD1 4.14Å; I236-I287 HydrophobicContact CB-CD1 4.48Å; I236-I287 HydrophobicContact CD1-CD1 4.08Å; I236-I287 HydrophobicContact CG2-CD1 3.7Å
237	V	98.7	Very high	97.8	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	118.4	-178.2	-176.8	0	0	0	0	109	I191 L194 M198 W205 F206 L217	I191-V237 HydrophobicContact CD1-CG1 4.16Å; I191-V237 HydrophobicContact CD1-CG2 3.9Å; L194-V237 HydrophobicContact CD2-CB 4.03Å; L194-V237 HydrophobicContact CD2-CG1 3.97Å; L194-V237 HydrophobicContact CD2-CG2 3.97Å; M198-V237 HydrophobicContact SD-CG1 4.49Å; W205-V237 CarbonylContact C-O 3.4Å; W205-V237 WeakPolarHBondContact CA-O 3.34Å; F206-V237 HydrophobicContact CD1-CG2 4.5Å; F206-V237 PolarHBondContact N-O 3Å; F206-V237 PolarHBondContact O-N 3.01Å; L217-V237 HydrophobicContact CD2-CG2 4.23Å
238	G	97.8	Very high	97.8	Very high	1 Å²	1	18.7 Å²	18.7	1%	0.01	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	175.6	168.9	0	0	0	0	0	111.5	R195 W205 N240 S241	R195-G238 PolarHBondContact NE-O 3.01Å; R195-G238 PolarHBondContact NH2-O 2.75Å; W205-G238 VanDerWaalsContact CZ3-CA 3.5Å; G238-N240 PolarHBondContact O-N 3.42Å; G238-S241 PolarHBondContact N-O 3.26Å; G238-S241 VanDerWaalsContact O-O 3.11Å
239	M	95.6	Very high	97.7	Very high	64 Å²	64	26.4 Å²	26.4	32%	0.315	13%	0.131	S	C	.	.	S	Bend	trans	-61.5	-32.1	178.6	-66.3	-52.3	-61.3	0	0	113.6	R195 M198 T199	R195-M239 HydrophobicContact CB-CE 4.38Å; R195-M239 WeakPolarHBondContact CD-O 3.39Å; R195-M239 VanDerWaalsContact CZ-O 3.25Å; R195-M239 PolarHBondContact NE-O 2.84Å; R195-M239 VanDerWaalsContact NE-O 3.12Å; M198-M239 HydrophobicContact CB-SD 4.21Å; M198-M239 HydrophobicContact CE-SD 3.98Å; T199-M239 VanDerWaalsContact OG1-CE 3.26Å; T199-M239 WeakPolarHBondContact OG1-CE 3.28Å
240	N	92.3	Very high	97.6	Very high	130 Å²	130	27 Å²	27	70%	0.695	13%	0.132	S	C	*	.	S	Bend	trans	-129.8	12.7	-177.4	-58.1	-45	0	0	0	113.5	G238	G238-N240 PolarHBondContact O-N 3.42Å
241	S	94.4	Very high	97.4	Very high	19 Å²	19	27.1 Å²	27.1	13%	0.133	13%	0.133	C	C	.	.			trans	-147	155.5	179.3	67.6	0	0	0	0	111.1	R195 W205 G238	R195-S241 PolarHBondContact NH2-O 3.03Å; W205-S241 VanDerWaalsContact CH2-OG 3.26Å; W205-S241 WeakPolarHBondContact CH2-OG 3.42Å; W205-S241 WeakPolarHBondContact CZ3-OG 3.23Å; G238-S241 PolarHBondContact N-O 3.26Å; G238-S241 VanDerWaalsContact O-O 3.11Å
242	I	98.3	Very high	97.2	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	125.9	175.5	-53.4	169.8	0	0	0	106.1	W187 I191 F218 L270 V272 Q273	W187-I242 HydrophobicContact CZ3-CD1 3.89Å; I191-I242 HydrophobicContact CD1-CD1 4.05Å; I191-I242 HydrophobicContact CD1-CG1 4.35Å; I191-I242 HydrophobicContact CD1-CG2 4.43Å; I191-I242 HydrophobicContact CG1-CD1 4.05Å; I191-I242 HydrophobicContact CG2-CD1 3.92Å; I191-I242 HydrophobicContact CG2-CG1 4.44Å; F218-I242 HydrophobicContact CE1-CG2 3.9Å; F218-I242 HydrophobicContact CZ-CG2 3.75Å; I242-L270 HydrophobicContact CD1-CD2 4.48Å; I242-V272 HydrophobicContact CB-CG2 4.41Å; I242-V272 HydrophobicContact CD1-CG2 4.36Å; I242-V272 HydrophobicContact CG2-CG1 4.43Å; I242-V272 HydrophobicContact CG2-CG2 4.23Å; I242-Q273 PolarHBondContact O-N 3.15Å
243	R	98.5	Very high	97	Very high	42 Å²	42	33.1 Å²	33.1	16%	0.158	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	123.9	176.8	-56.8	-172.6	175.4	-168.5	-6.5	109.6	A235 I236 F245 Q273 F275 E283	A235-R243 CarbonylContact C-O 3.53Å; A235-R243 VanDerWaalsContact CA-O 3.24Å; A235-R243 WeakPolarHBondContact CA-O 3.41Å; I236-R243 HydrophobicContact CB-CB 4.32Å; I236-R243 PolarHBondContact N-O 3.32Å; I236-R243 PolarHBondContact O-N 3.38Å; R243-F245 HydrophobicContact CB-CE2 3.78Å; R243-F245 HydrophobicContact CB-CZ 4.12Å; R243-Q273 CarbonylContact C-O 3.55Å; R243-Q273 VanDerWaalsContact CA-O 3.31Å; R243-Q273 WeakPolarHBondContact CA-O 3.18Å; R243-Q273 HydrophobicContact CG-CB 4.4Å; R243-F275 HydrophobicContact CB-CD2 4.08Å; R243-F275 HydrophobicContact CB-CE2 3.87Å; R243-F275 HydrophobicContact CG-CD2 4.45Å; R243-F275 HydrophobicContact CG-CE2 3.74Å; R243-E283 IonicContact CZ-OE2 3.64Å; R243-E283 IonicContact NH1-OE2 2.67Å; R243-E283 PolarHBondContact NH1-OE2 2.85Å
244	L	98.8	Very high	96.9	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	122.7	175.9	177.7	63.9	0	0	0	109.1	I214 F218 A233 V246 L260 V272 Q273 T274 F275	I214-L244 HydrophobicContact CG2-CD1 4.2Å; F218-L244 HydrophobicContact CD2-CD1 4.28Å; F218-L244 HydrophobicContact CE2-CD1 3.94Å; A233-L244 HydrophobicContact CB-CD1 4.26Å; L244-V246 HydrophobicContact CD2-CG1 4.29Å; L244-V246 HydrophobicContact CG-CB 4.44Å; L244-V246 HydrophobicContact CG-CG1 4.19Å; L244-L260 HydrophobicContact CD2-CD1 4Å; L244-V272 HydrophobicContact CB-CG1 3.84Å; L244-Q273 PolarHBondContact N-O 3.3Å; L244-T274 CarbonylContact O-C 3.54Å; L244-T274 WeakPolarHBondContact O-CA 3.21Å; L244-F275 PolarHBondContact O-N 2.7Å
245	F	98.8	Very high	96.8	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	113.2	177.8	-58.3	-96.1	0	0	0	107.9	A233 Y234 I236 R243 F275 V280 E283	A233-F245 CarbonylContact C-O 3.54Å; A233-F245 WeakPolarHBondContact CA-O 3.49Å; A233-F245 VanDerWaalsContact CB-O 3.28Å; A233-F245 WeakPolarHBondContact CB-O 3.47Å; Y234-F245 PolarHBondContact N-O 3.16Å; Y234-F245 PolarHBondContact O-N 2.73Å; I236-F245 HydrophobicContact CB-CE2 4.25Å; I236-F245 HydrophobicContact CD1-CE2 3.68Å; I236-F245 HydrophobicContact CD1-CZ 3.91Å; I236-F245 HydrophobicContact CG1-CE2 3.79Å; R243-F245 HydrophobicContact CB-CE2 3.78Å; R243-F245 HydrophobicContact CB-CZ 4.12Å; F245-F275 WeakPolarHBondContact CA-O 3.37Å; F245-F275 HydrophobicContact CD1-CB 3.46Å; F245-F275 VanDerWaalsContact CD1-CB 3.46Å; F245-F275 HydrophobicContact CD1-CG 4.21Å; F245-F275 HydrophobicContact CE1-CB 3.61Å; F245-F275 HydrophobicContact CE1-CD1 4.49Å; F245-F275 HydrophobicContact CE1-CD2 4.13Å; F245-F275 AromaticContact CE1-CG 3.84Å; F245-F275 HydrophobicContact CE1-CG 3.84Å; F245-F275 HydrophobicContact CG-CB 4.24Å; F245-F275 HydrophobicContact CZ-CB 4.48Å; F245-F275 HydrophobicContact CZ-CD2 4.23Å; F245-F275 HydrophobicContact CZ-CG 4.39Å; F245-V280 HydrophobicContact CB-CB 4.4Å; F245-V280 VanDerWaalsContact CD1-CA 3.49Å; F245-V280 HydrophobicContact CD1-CB 3.85Å; F245-V280 HydrophobicContact CD1-CG2 4.49Å; F245-V280 HydrophobicContact CD2-CB 4.34Å; F245-V280 HydrophobicContact CD2-CG2 4.18Å; F245-V280 VanDerWaalsContact CE1-CA 3.47Å; F245-V280 HydrophobicContact CE1-CB 4.21Å; F245-V280 HydrophobicContact CE2-CG2 4.33Å; F245-V280 HydrophobicContact CG-CB 3.93Å; F245-V280 HydrophobicContact CG-CG2 4.28Å; F245-E283 HydrophobicContact CE1-CB 3.59Å; F245-E283 HydrophobicContact CE1-CG 3.58Å; F245-E283 HydrophobicContact CZ-CB 3.57Å; F245-E283 HydrophobicContact CZ-CG 3.96Å
246	V	98.4	Very high	96.8	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	165.6	-174.3	65.8	0	0	0	0	109.1	F231 A233 L244 L248 L251 F275 Y277	F231-V246 HydrophobicContact CD2-CG2 4.31Å; A233-V246 HydrophobicContact CB-CB 4.45Å; L244-V246 HydrophobicContact CD2-CG1 4.29Å; L244-V246 HydrophobicContact CG-CB 4.44Å; L244-V246 HydrophobicContact CG-CG1 4.19Å; V246-L248 PolarHBondContact O-N 3.07Å; V246-L251 HydrophobicContact CG1-CD1 4Å; V246-L251 HydrophobicContact CG1-CD2 4.26Å; V246-L251 HydrophobicContact CG1-CG 4.18Å; V246-F275 PolarHBondContact N-O 3.05Å; V246-F275 VanDerWaalsContact O-O 3.12Å; V246-Y277 PolarHBondContact O-N 3.42Å; V246-Y277 VanDerWaalsContact O-N 3.16Å
247	D	97.9	Very high	96.7	Very high	45 Å²	45	45.2 Å²	45.2	24%	0.241	24%	0.24	C	C	.	.			trans	-61.3	112.5	165.4	-177.2	-4.7	0	0	0	109.5	S172 K249 R250	S172-D247 WeakPolarHBondContact CB-OD2 3.31Å; S172-D247 WeakPolarHBondContact OG-CB 3.49Å; S172-D247 PolarHBondContact OG-OD2 3.01Å; D247-K249 PolarHBondContact O-N 2.98Å; D247-K249 VanDerWaalsContact O-N 3.12Å; D247-K249 WeakPolarHBondContact OD1-CB 3.47Å; D247-K249 WeakPolarHBondContact OD1-CG 3.41Å; D247-K249 PolarHBondContact OD1-N 2.94Å; D247-R250 HydrophobicContact CB-CG 4.27Å; D247-R250 WeakPolarHBondContact O-CB 3.46Å; D247-R250 WeakPolarHBondContact O-CG 3.46Å; D247-R250 PolarHBondContact O-N 3.48Å
248	L	96.8	Very high	96.6	Very high	75 Å²	75	51.3 Å²	51.3	39%	0.393	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-62	-21.4	-175.8	-64.3	-178.1	0	0	0	112.9	V246 R250 L251 P276	V246-L248 PolarHBondContact O-N 3.07Å; L248-R250 PolarHBondContact O-N 3.28Å; L248-L251 HydrophobicContact CD2-CD1 3.85Å; L248-L251 WeakPolarHBondContact O-CB 3.34Å; L248-L251 PolarHBondContact O-N 2.82Å; L248-P276 HydrophobicContact CD1-CG 3.88Å; L248-P276 HydrophobicContact CG-CG 4.46Å
249	K	95.9	Very high	96.5	Very high	165 Å²	165	53 Å²	53	72%	0.717	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-59.3	-29.9	173.6	-64.8	174.5	-175.5	172.2	0	111.9	D247 L251 S252	D247-K249 PolarHBondContact O-N 2.98Å; D247-K249 VanDerWaalsContact O-N 3.12Å; D247-K249 WeakPolarHBondContact OD1-CB 3.47Å; D247-K249 WeakPolarHBondContact OD1-CG 3.41Å; D247-K249 PolarHBondContact OD1-N 2.94Å; K249-L251 PolarHBondContact O-N 3.21Å; K249-S252 PolarHBondContact O-N 2.94Å; K249-S252 PolarHBondContact O-OG 3.49Å
250	R	95.6	Very high	96.6	Very high	19 Å²	19	50 Å²	50	7%	0.072	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-68.7	-20	178.6	-57.5	-177.3	-165.1	175.5	1.7	113.1	P171 S172 T173 L175 D224 D247 L248 S252	P171-R250 PolarHBondContact O-NH2 2.75Å; S172-R250 PolarHBondContact OG-NE 2.92Å; S172-R250 PolarHBondContact OG-NH2 3.11Å; T173-R250 WeakPolarHBondContact O-CD 3.4Å; L175-R250 HydrophobicContact CD1-CB 3.96Å; L175-R250 HydrophobicContact CG-CB 4.09Å; D224-R250 IonicContact OD1-CZ 2.68Å; D224-R250 IonicContact OD1-NH1 3.65Å; D224-R250 IonicContact OD1-NH2 3.63Å; D224-R250 IonicContact OD2-CZ 2.66Å; D224-R250 IonicContact OD2-NH1 2.68Å; D224-R250 PolarHBondContact OD2-NH1 3.32Å; D224-R250 IonicContact OD2-NH2 2.75Å; D224-R250 PolarHBondContact OD2-NH2 3.34Å; D247-R250 HydrophobicContact CB-CG 4.27Å; D247-R250 WeakPolarHBondContact O-CB 3.46Å; D247-R250 WeakPolarHBondContact O-CG 3.46Å; D247-R250 PolarHBondContact O-N 3.48Å; L248-R250 PolarHBondContact O-N 3.28Å; R250-S252 VanDerWaalsContact C-N 3.3Å
251	L	95.3	Very high	96.8	Very high	7 Å²	7	46.1 Å²	46.1	4%	0.037	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-90.2	7.6	-177.8	-52.9	178.7	0	0	0	112.8	V246 L248 K249 D253 V256 R257 L260 L262 T274	V246-L251 HydrophobicContact CG1-CD1 4Å; V246-L251 HydrophobicContact CG1-CD2 4.26Å; V246-L251 HydrophobicContact CG1-CG 4.18Å; L248-L251 HydrophobicContact CD2-CD1 3.85Å; L248-L251 WeakPolarHBondContact O-CB 3.34Å; L248-L251 PolarHBondContact O-N 2.82Å; K249-L251 PolarHBondContact O-N 3.21Å; L251-D253 VanDerWaalsContact C-N 3.3Å; L251-V256 HydrophobicContact CD2-CG1 4.04Å; L251-R257 WeakPolarHBondContact O-CD 3.35Å; L251-R257 WeakPolarHBondContact O-CG 3.42Å; L251-R257 PolarHBondContact O-NH1 2.98Å; L251-L260 HydrophobicContact CD2-CD1 4.38Å; L251-L262 HydrophobicContact CB-CD1 4.45Å; L251-L262 HydrophobicContact CD1-CD1 4.41Å; L251-L262 HydrophobicContact CD2-CD1 4.41Å; L251-T274 HydrophobicContact CD1-CG2 3.49Å; L251-T274 VanDerWaalsContact CD1-CG2 3.49Å
252	S	93.6	Very high	96.8	Very high	97 Å²	97	46.6 Å²	46.6	68%	0.678	24%	0.244	S	C	*	.	G	3₁₀ helix	trans	-77.7	-17.9	168	66.5	0	0	0	0	112.7	K249 R250 P254	K249-S252 PolarHBondContact O-N 2.94Å; K249-S252 PolarHBondContact O-OG 3.49Å; R250-S252 VanDerWaalsContact C-N 3.3Å; S252-P254 WeakPolarHBondContact O-CD 3.24Å
253	D	95.6	Very high	96.4	Very high	31 Å²	31	51.7 Å²	51.7	17%	0.166	27%	0.271	C	S	.	.			trans	-69.6	116	177.4	-172.6	-29.7	0	0	0	110.6	Q174 L251 V255 V256 R257	Q174-D253 PolarHBondContact NE2-OD2 3.23Å; L251-D253 VanDerWaalsContact C-N 3.3Å; D253-V255 PolarHBondContact O-N 3.23Å; D253-V255 WeakPolarHBondContact OD1-CB 3.16Å; D253-V255 PolarHBondContact OD1-N 3.22Å; D253-V256 HydrophobicContact CB-CB 4.26Å; D253-V256 HydrophobicContact CB-CG2 3.93Å; D253-V256 PolarHBondContact O-N 3.27Å; D253-V256 VanDerWaalsContact O-N 3.14Å; D253-R257 WeakPolarHBondContact O-CG 3.47Å; D253-R257 PolarHBondContact O-N 3.08Å; D253-R257 VanDerWaalsContact O-N 3.09Å
254	P	96.3	Very high	95.9	Very high	97 Å²	97	54.4 Å²	54.4	63%	0.63	30%	0.296	S	S	*	.	H	α-helix	trans	-57	-32.5	-178.3	-24.5	34.7	0	0	0	113.8	S252 R257 D258	S252-P254 WeakPolarHBondContact O-CD 3.24Å; P254-R257 PolarHBondContact O-N 3.03Å; P254-D258 WeakPolarHBondContact O-CB 3.43Å; P254-D258 PolarHBondContact O-N 3.31Å
255	V	97.1	Very high	95.3	Very high	83 Å²	83	56.8 Å²	56.8	50%	0.503	31%	0.312	S	S	.	.	H	α-helix	trans	-67.8	-40.6	-179.1	179.2	0	0	0	0	110.6	T177 D253 H259	T177-V255 HydrophobicContact CG2-CG1 4.06Å; D253-V255 PolarHBondContact O-N 3.23Å; D253-V255 WeakPolarHBondContact OD1-CB 3.16Å; D253-V255 PolarHBondContact OD1-N 3.22Å; V255-H259 VanDerWaalsContact O-CB 3.25Å; V255-H259 WeakPolarHBondContact O-CB 3.31Å; V255-H259 PolarHBondContact O-N 3.44Å
256	V	97.7	Very high	94.4	Very high	1 Å²	1	60.4 Å²	60.4	1%	0.006	34%	0.337	C	S	.	.	H	α-helix	trans	-68.9	-41.4	176.8	179.3	0	0	0	0	110.6	L175 T177 L251 D253 H259 L260	L175-V256 HydrophobicContact CB-CG2 3.95Å; L175-V256 HydrophobicContact CD1-CG1 4.19Å; T177-V256 HydrophobicContact CG2-CG2 4.46Å; L251-V256 HydrophobicContact CD2-CG1 4.04Å; D253-V256 HydrophobicContact CB-CB 4.26Å; D253-V256 HydrophobicContact CB-CG2 3.93Å; D253-V256 PolarHBondContact O-N 3.27Å; D253-V256 VanDerWaalsContact O-N 3.14Å; V256-H259 PolarHBondContact O-N 3.1Å; V256-L260 HydrophobicContact CG1-CD1 4.12Å; V256-L260 WeakPolarHBondContact O-CB 3.43Å; V256-L260 PolarHBondContact O-N 2.95Å
257	R	96.8	Very high	93.8	Very high	74 Å²	74	67 Å²	67	28%	0.279	36%	0.362	S	S	.	.	H	α-helix	trans	-62.1	-44.4	178.1	-64.7	-175.8	71.9	75.8	0.8	112.3	L251 D253 P254 Q261 L262 D263	L251-R257 WeakPolarHBondContact O-CD 3.35Å; L251-R257 WeakPolarHBondContact O-CG 3.42Å; L251-R257 PolarHBondContact O-NH1 2.98Å; D253-R257 WeakPolarHBondContact O-CG 3.47Å; D253-R257 PolarHBondContact O-N 3.08Å; D253-R257 VanDerWaalsContact O-N 3.09Å; P254-R257 PolarHBondContact O-N 3.03Å; R257-Q261 WeakPolarHBondContact O-CA 3.48Å; R257-Q261 PolarHBondContact O-N 2.89Å; R257-L262 HydrophobicContact CB-CD1 4.49Å; R257-L262 HydrophobicContact CG-CD1 4.28Å; R257-L262 PolarHBondContact O-N 3.45Å; R257-D263 IonicContact CZ-OD1 3.49Å; R257-D263 IonicContact CZ-OD2 3.85Å; R257-D263 IonicContact NE-OD1 3.25Å; R257-D263 IonicContact NE-OD2 2.98Å; R257-D263 PolarHBondContact NE-OD2 2.67Å; R257-D263 VanDerWaalsContact NH2-CG 3.33Å; R257-D263 IonicContact NH2-OD1 3.29Å; R257-D263 PolarHBondContact NH2-OD1 2.83Å; R257-D263 IonicContact NH2-OD2 3.84Å; R257-D263 PolarHBondContact NH2-OD2 3.2Å
258	D	96.4	Very high	93.2	Very high	127 Å²	127	70.1 Å²	70.1	68%	0.679	39%	0.385	S	S	*	.	H	α-helix	trans	-65.9	-47.3	177.8	-175.8	64.3	0	0	0	111	P254 L260 Q261	P254-D258 WeakPolarHBondContact O-CB 3.43Å; P254-D258 PolarHBondContact O-N 3.31Å; D258-L260 VanDerWaalsContact C-N 3.34Å; D258-L260 PolarHBondContact O-N 2.97Å; D258-Q261 WeakPolarHBondContact O-CA 3.47Å; D258-Q261 WeakPolarHBondContact O-CG 3.13Å; D258-Q261 PolarHBondContact O-N 3.4Å
259	H	97.6	Very high	92.8	Very high	38 Å²	38	69.9 Å²	69.9	18%	0.176	38%	0.382	C	S	.	.	H	α-helix	trans	-56.5	-44.8	177.2	176.4	86.5	0	0	0	112.9	T177 W187 F218 V255 V256 Q261	T177-H259 HydrophobicContact CG2-CB 3.53Å; W187-H259 AromaticContact CD1-NE2 3.7Å; W187-H259 PolarHBondContact NE1-O 3.37Å; F218-H259 PolarHBondContact O-NE2 3.4Å; V255-H259 VanDerWaalsContact O-CB 3.25Å; V255-H259 WeakPolarHBondContact O-CB 3.31Å; V255-H259 PolarHBondContact O-N 3.44Å; V256-H259 PolarHBondContact O-N 3.1Å; H259-Q261 VanDerWaalsContact C-N 3.27Å; H259-Q261 PolarHBondContact O-N 3.47Å
260	L	97.1	Very high	92.6	Very high	1 Å²	1	62.3 Å²	62.3	1%	0.005	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-2.1	176.5	-66	180	0	0	0	113.6	F218 L220 L244 L251 V256 D258 L262	F218-L260 HydrophobicContact CB-CD2 4.26Å; F218-L260 HydrophobicContact CD1-CD2 3.87Å; F218-L260 HydrophobicContact CG-CD2 4.37Å; L220-L260 HydrophobicContact CD1-CD1 4.15Å; L220-L260 HydrophobicContact CD1-CD2 4.13Å; L220-L260 HydrophobicContact CD1-CG 4.37Å; L244-L260 HydrophobicContact CD2-CD1 4Å; L251-L260 HydrophobicContact CD2-CD1 4.38Å; V256-L260 HydrophobicContact CG1-CD1 4.12Å; V256-L260 WeakPolarHBondContact O-CB 3.43Å; V256-L260 PolarHBondContact O-N 2.95Å; D258-L260 VanDerWaalsContact C-N 3.34Å; D258-L260 PolarHBondContact O-N 2.97Å; L260-L262 VanDerWaalsContact C-N 3.28Å; L260-L262 HydrophobicContact CB-CD2 3.73Å; L260-L262 HydrophobicContact CB-CG 3.87Å; L260-L262 HydrophobicContact CD1-CD2 4.42Å; L260-L262 PolarHBondContact O-N 3.49Å
261	Q	95.4	Very high	92.4	Very high	47 Å²	47	63.3 Å²	63.3	22%	0.22	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.8	42.2	-178.1	-55.7	-179.6	-6.1	0	0	113.4	R257 D258 H259 D263 S266	R257-Q261 WeakPolarHBondContact O-CA 3.48Å; R257-Q261 PolarHBondContact O-N 2.89Å; D258-Q261 WeakPolarHBondContact O-CA 3.47Å; D258-Q261 WeakPolarHBondContact O-CG 3.13Å; D258-Q261 PolarHBondContact O-N 3.4Å; H259-Q261 VanDerWaalsContact C-N 3.27Å; H259-Q261 PolarHBondContact O-N 3.47Å; Q261-D263 VanDerWaalsContact C-N 3.34Å; Q261-D263 PolarHBondContact O-N 3.43Å; Q261-S266 VanDerWaalsContact OE1-CB 3.23Å; Q261-S266 PolarHBondContact OE1-OG 2.84Å
262	L	94.5	Very high	92.5	Very high	30 Å²	30	63.3 Å²	63.3	16%	0.157	36%	0.359	C	S	.	.	S	Bend	trans	-66.2	-35.4	-173.7	-60.6	-174.2	0	0	0	112.9	L251 R257 L260 V272 T274	L251-L262 HydrophobicContact CB-CD1 4.45Å; L251-L262 HydrophobicContact CD1-CD1 4.41Å; L251-L262 HydrophobicContact CD2-CD1 4.41Å; R257-L262 HydrophobicContact CB-CD1 4.49Å; R257-L262 HydrophobicContact CG-CD1 4.28Å; R257-L262 PolarHBondContact O-N 3.45Å; L260-L262 VanDerWaalsContact C-N 3.28Å; L260-L262 HydrophobicContact CB-CD2 3.73Å; L260-L262 HydrophobicContact CB-CG 3.87Å; L260-L262 HydrophobicContact CD1-CD2 4.42Å; L260-L262 PolarHBondContact O-N 3.49Å; L262-V272 HydrophobicContact CD2-CB 3.9Å; L262-V272 HydrophobicContact CD2-CG1 4.28Å; L262-T274 HydrophobicContact CD1-CG2 4.19Å; L262-T274 HydrophobicContact CD2-CG2 3.92Å
263	D	91.1	Very high	92.7	Very high	106 Å²	106	62.5 Å²	62.5	57%	0.567	35%	0.345	S	S	*	.	S	Bend	trans	-91.2	-22.8	-175.5	-64.5	-56	0	0	0	113.3	R257 Q261	R257-D263 IonicContact CZ-OD1 3.49Å; R257-D263 IonicContact CZ-OD2 3.85Å; R257-D263 IonicContact NE-OD1 3.25Å; R257-D263 IonicContact NE-OD2 2.98Å; R257-D263 PolarHBondContact NE-OD2 2.67Å; R257-D263 VanDerWaalsContact NH2-CG 3.33Å; R257-D263 IonicContact NH2-OD1 3.29Å; R257-D263 PolarHBondContact NH2-OD1 2.83Å; R257-D263 IonicContact NH2-OD2 3.84Å; R257-D263 PolarHBondContact NH2-OD2 3.2Å; Q261-D263 VanDerWaalsContact C-N 3.34Å; Q261-D263 PolarHBondContact O-N 3.43Å
264	S	87.7	Confident	92.8	Very high	99 Å²	99	63.6 Å²	63.6	69%	0.692	35%	0.352	S	S	*	.	S	Bend	trans	-151.2	75.7	-175.8	-71.3	0	0	0	0	110.3	S266	S264-S266 PolarHBondContact O-N 3.22Å
265	P	85.2	Confident	92.9	Very high	51 Å²	51	60.7 Å²	60.7	33%	0.331	33%	0.33	S	S	.	.			trans	-64.5	130.1	-178.3	26.3	-33.9	0	0	0	110.5	R267	P265-R267 PolarHBondContact O-N 3.48Å
266	S	81.4	Confident	93	Very high	76 Å²	76	59.9 Å²	59.9	53%	0.531	33%	0.326	S	S	.	.	S	Bend	trans	-63.1	-29.1	178.4	55.6	0	0	0	0	113.3	Q261 S264	Q261-S266 VanDerWaalsContact OE1-CB 3.23Å; Q261-S266 PolarHBondContact OE1-OG 2.84Å; S264-S266 PolarHBondContact O-N 3.22Å
267	R	85.8	Confident	93	Very high	138 Å²	138	60.9 Å²	60.9	52%	0.521	33%	0.33	S	S	.	.	S	Bend	trans	-141.2	136.9	174.2	-53.1	-174.1	-173.5	163.1	3.1	110.4	P265 E269 L270 S271	P265-R267 PolarHBondContact O-N 3.48Å; R267-E269 VanDerWaalsContact C-N 3.28Å; R267-E269 WeakPolarHBondContact CB-OE1 3.46Å; R267-E269 WeakPolarHBondContact CB-OE2 3.38Å; R267-E269 WeakPolarHBondContact CD-OE1 3.41Å; R267-E269 PolarHBondContact O-N 3.01Å; R267-L270 HydrophobicContact CB-CB 4.4Å; R267-L270 HydrophobicContact CB-CD1 4.17Å; R267-L270 HydrophobicContact CB-CG 4.3Å; R267-L270 HydrophobicContact CG-CD1 4.26Å; R267-L270 PolarHBondContact O-N 3.31Å; R267-S271 PolarHBondContact O-N 3.3Å
268	P	85.5	Confident	93	Very high	111 Å²	111	64.1 Å²	64.1	72%	0.721	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-55.7	-39.3	-178.2	-26.7	35.1	0	0	0	113.8	L270 S271	P268-L270 PolarHBondContact O-N 2.86Å; P268-S271 VanDerWaalsContact O-CB 3.29Å; P268-S271 WeakPolarHBondContact O-CB 3.44Å; P268-S271 PolarHBondContact O-N 3.01Å; P268-S271 VanDerWaalsContact O-N 3.14Å
269	E	87.9	Confident	93.1	Very high	70 Å²	70	59.1 Å²	59.1	33%	0.327	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-70.9	-13.3	179.8	72.2	-79.6	-173	0	0	113.9	R195 R267	R195-E269 VanDerWaalsContact CZ-O 3.26Å; R195-E269 PolarHBondContact NH1-O 2.81Å; R195-E269 PolarHBondContact NH2-O 2.72Å; R267-E269 VanDerWaalsContact C-N 3.28Å; R267-E269 WeakPolarHBondContact CB-OE1 3.46Å; R267-E269 WeakPolarHBondContact CB-OE2 3.38Å; R267-E269 WeakPolarHBondContact CD-OE1 3.41Å; R267-E269 PolarHBondContact O-N 3.01Å
270	L	90.3	Very high	93.1	Very high	6 Å²	6	57.4 Å²	57.4	3%	0.031	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-102	6.7	174.8	-63.3	175.3	0	0	0	112.2	W187 Q188 I191 I242 R267 P268 V272	W187-L270 HydrophobicContact CH2-CB 4.37Å; W187-L270 WeakPolarHBondContact CH2-O 3.31Å; Q188-L270 HydrophobicContact CB-CD1 3.91Å; Q188-L270 HydrophobicContact CG-CD1 3.89Å; I191-L270 HydrophobicContact CB-CD2 4.42Å; I191-L270 HydrophobicContact CG2-CD2 3.91Å; I242-L270 HydrophobicContact CD1-CD2 4.48Å; R267-L270 HydrophobicContact CB-CB 4.4Å; R267-L270 HydrophobicContact CB-CD1 4.17Å; R267-L270 HydrophobicContact CB-CG 4.3Å; R267-L270 HydrophobicContact CG-CD1 4.26Å; R267-L270 PolarHBondContact O-N 3.31Å; P268-L270 PolarHBondContact O-N 2.86Å; L270-V272 PolarHBondContact O-N 3.04Å
271	S	92.7	Very high	93.1	Very high	39 Å²	39	60.9 Å²	60.9	27%	0.273	33%	0.329	S	S	.	.			trans	-65.1	123.2	174.9	-176.8	0	0	0	0	111	R267 P268	R267-S271 PolarHBondContact O-N 3.3Å; P268-S271 VanDerWaalsContact O-CB 3.29Å; P268-S271 WeakPolarHBondContact O-CB 3.44Å; P268-S271 PolarHBondContact O-N 3.01Å; P268-S271 VanDerWaalsContact O-N 3.14Å
272	V	97	Very high	93.3	Very high	8 Å²	8	62.3 Å²	62.3	5%	0.048	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	114.8	175.9	-177.1	0	0	0	0	109.3	W187 F218 I242 L244 L262 L270 T274	W187-V272 HydrophobicContact CH2-CG2 3.83Å; W187-V272 HydrophobicContact CZ3-CG2 4.05Å; F218-V272 HydrophobicContact CE1-CG2 4.32Å; I242-V272 HydrophobicContact CB-CG2 4.41Å; I242-V272 HydrophobicContact CD1-CG2 4.36Å; I242-V272 HydrophobicContact CG2-CG1 4.43Å; I242-V272 HydrophobicContact CG2-CG2 4.23Å; L244-V272 HydrophobicContact CB-CG1 3.84Å; L262-V272 HydrophobicContact CD2-CB 3.9Å; L262-V272 HydrophobicContact CD2-CG1 4.28Å; L270-V272 PolarHBondContact O-N 3.04Å; V272-T274 HydrophobicContact CG1-CG2 4.29Å
273	Q	97	Very high	93.4	Very high	80 Å²	80	63 Å²	63	37%	0.374	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	129.2	171.8	-61.3	174.3	1.4	0	0	108.9	I242 R243 L244 F275	I242-Q273 PolarHBondContact O-N 3.15Å; R243-Q273 CarbonylContact C-O 3.55Å; R243-Q273 VanDerWaalsContact CA-O 3.31Å; R243-Q273 WeakPolarHBondContact CA-O 3.18Å; R243-Q273 HydrophobicContact CG-CB 4.4Å; L244-Q273 PolarHBondContact N-O 3.3Å; Q273-F275 HydrophobicContact CB-CD2 4.47Å; Q273-F275 HydrophobicContact CB-CE2 3.64Å; Q273-F275 HydrophobicContact CB-CZ 4.3Å
274	T	97.9	Very high	93.8	Very high	53 Å²	53	58 Å²	58	33%	0.325	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	132.4	-173.4	58.7	0	0	0	0	110.9	L244 L251 L262 V272	L244-T274 CarbonylContact O-C 3.54Å; L244-T274 WeakPolarHBondContact O-CA 3.21Å; L251-T274 HydrophobicContact CD1-CG2 3.49Å; L251-T274 VanDerWaalsContact CD1-CG2 3.49Å; L262-T274 HydrophobicContact CD1-CG2 4.19Å; L262-T274 HydrophobicContact CD2-CG2 3.92Å; V272-T274 HydrophobicContact CG1-CG2 4.29Å
275	F	98.6	Very high	94.3	Very high	37 Å²	37	57.4 Å²	57.4	16%	0.162	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	153.9	-176.4	-65.6	-92.5	0	0	0	110.6	R243 L244 F245 V246 Q273 E283	R243-F275 HydrophobicContact CB-CD2 4.08Å; R243-F275 HydrophobicContact CB-CE2 3.87Å; R243-F275 HydrophobicContact CG-CD2 4.45Å; R243-F275 HydrophobicContact CG-CE2 3.74Å; L244-F275 PolarHBondContact O-N 2.7Å; F245-F275 WeakPolarHBondContact CA-O 3.37Å; F245-F275 HydrophobicContact CD1-CB 3.46Å; F245-F275 VanDerWaalsContact CD1-CB 3.46Å; F245-F275 HydrophobicContact CD1-CG 4.21Å; F245-F275 HydrophobicContact CE1-CB 3.61Å; F245-F275 HydrophobicContact CE1-CD1 4.49Å; F245-F275 HydrophobicContact CE1-CD2 4.13Å; F245-F275 AromaticContact CE1-CG 3.84Å; F245-F275 HydrophobicContact CE1-CG 3.84Å; F245-F275 HydrophobicContact CG-CB 4.24Å; F245-F275 HydrophobicContact CZ-CB 4.48Å; F245-F275 HydrophobicContact CZ-CD2 4.23Å; F245-F275 HydrophobicContact CZ-CG 4.39Å; V246-F275 PolarHBondContact N-O 3.05Å; V246-F275 VanDerWaalsContact O-O 3.12Å; Q273-F275 HydrophobicContact CB-CD2 4.47Å; Q273-F275 HydrophobicContact CB-CE2 3.64Å; Q273-F275 HydrophobicContact CB-CZ 4.3Å; F275-E283 HydrophobicContact CD1-CG 3.81Å; F275-E283 HydrophobicContact CE1-CG 3.93Å; F275-E283 HydrophobicContact CG-CG 4.35Å
276	P	98.5	Very high	94.9	Very high	66 Å²	66	57.6 Å²	57.6	43%	0.429	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.4	141.6	169.3	-22.4	33.7	0	0	0	111.3	L248 E278 S279	L248-P276 HydrophobicContact CD1-CG 3.88Å; L248-P276 HydrophobicContact CG-CG 4.46Å; P276-E278 VanDerWaalsContact C-N 3.27Å; P276-E278 PolarHBondContact O-N 3.43Å; P276-S279 PolarHBondContact O-N 2.97Å; P276-S279 PolarHBondContact O-OG 3.38Å
277	Y	98.4	Very high	95.7	Very high	22 Å²	22	54.4 Å²	54.4	9%	0.086	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-47.6	-46.9	180	174.2	-97.9	0	0	0	113.4	H47 F232 Y234 V246 S279	H47-Y277 AromaticContact CE1-CE2 3.79Å; H47-Y277 AromaticContact NE2-CE2 3.39Å; H47-Y277 WeakPolarHBondContact NE2-CE2 3.06Å; H47-Y277 AromaticContact NE2-CZ 3.45Å; H47-Y277 PolarHBondContact NE2-OH 2.98Å; F232-Y277 HydrophobicContact CB-CD2 4.29Å; F232-Y277 HydrophobicContact CB-CE2 3.93Å; Y234-Y277 HydrophobicContact CD2-CD2 4.17Å; Y234-Y277 AromaticContact CD2-CE2 3.77Å; Y234-Y277 HydrophobicContact CD2-CE2 3.77Å; Y234-Y277 HydrophobicContact CE2-CD2 4.36Å; Y234-Y277 AromaticContact CE2-CE2 3.59Å; Y234-Y277 HydrophobicContact CE2-CE2 3.59Å; Y234-Y277 AromaticContact CE2-CZ 3.7Å; V246-Y277 PolarHBondContact O-N 3.42Å; V246-Y277 VanDerWaalsContact O-N 3.16Å; Y277-S279 PolarHBondContact O-N 3.15Å
278	E	96.7	Very high	96.2	Very high	142 Å²	142	48.5 Å²	48.5	66%	0.664	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-68.6	-15.8	-176.5	-55.2	-59.2	164.4	0	0	114.3	P276 V280	P276-E278 VanDerWaalsContact C-N 3.27Å; P276-E278 PolarHBondContact O-N 3.43Å; E278-V280 VanDerWaalsContact C-N 3.29Å; E278-V280 PolarHBondContact O-N 3.41Å
279	S	98.3	Very high	96.8	Very high	22 Å²	22	47.6 Å²	47.6	15%	0.154	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-85.7	3.6	-175.7	79.5	0	0	0	0	113.8	P276 Y277 Y281 T282 E283	P276-S279 PolarHBondContact O-N 2.97Å; P276-S279 PolarHBondContact O-OG 3.38Å; Y277-S279 PolarHBondContact O-N 3.15Å; S279-Y281 PolarHBondContact O-N 3.25Å; S279-T282 PolarHBondContact O-N 3.34Å; S279-T282 PolarHBondContact O-OG1 2.8Å; S279-E283 WeakPolarHBondContact O-CB 3.41Å; S279-E283 WeakPolarHBondContact O-CG 3.44Å; S279-E283 PolarHBondContact O-N 2.98Å
280	V	98.4	Very high	97.2	Very high	2 Å²	2	48.2 Å²	48.2	1%	0.012	29%	0.285	C	S	.	.	H	α-helix	trans	-56.5	-38.7	179.2	63.2	0	0	0	0	112	W131 Y234 I236 F245 E278 L284 L307	W131-V280 HydrophobicContact CH2-CG1 4.01Å; W131-V280 HydrophobicContact CZ3-CG1 4.2Å; Y234-V280 HydrophobicContact CD1-CG2 4.3Å; Y234-V280 HydrophobicContact CD2-CB 3.87Å; Y234-V280 HydrophobicContact CD2-CG1 3.58Å; Y234-V280 HydrophobicContact CD2-CG2 4.02Å; Y234-V280 HydrophobicContact CE2-CG1 3.74Å; Y234-V280 HydrophobicContact CG-CB 4.11Å; Y234-V280 HydrophobicContact CG-CG1 4.15Å; Y234-V280 HydrophobicContact CG-CG2 3.73Å; I236-V280 HydrophobicContact CD1-CG2 4.45Å; F245-V280 HydrophobicContact CB-CB 4.4Å; F245-V280 VanDerWaalsContact CD1-CA 3.49Å; F245-V280 HydrophobicContact CD1-CB 3.85Å; F245-V280 HydrophobicContact CD1-CG2 4.49Å; F245-V280 HydrophobicContact CD2-CB 4.34Å; F245-V280 HydrophobicContact CD2-CG2 4.18Å; F245-V280 VanDerWaalsContact CE1-CA 3.47Å; F245-V280 HydrophobicContact CE1-CB 4.21Å; F245-V280 HydrophobicContact CE2-CG2 4.33Å; F245-V280 HydrophobicContact CG-CB 3.93Å; F245-V280 HydrophobicContact CG-CG2 4.28Å; E278-V280 VanDerWaalsContact C-N 3.29Å; E278-V280 PolarHBondContact O-N 3.41Å; V280-L284 WeakPolarHBondContact O-CB 3.43Å; V280-L284 PolarHBondContact O-N 2.92Å; V280-L307 HydrophobicContact CG1-CD2 4.13Å; V280-L307 HydrophobicContact CG2-CD2 4.11Å
281	Y	97.6	Very high	97.6	Very high	74 Å²	74	49.1 Å²	49.1	29%	0.29	29%	0.289	S	S	.	.	H	α-helix	trans	-65.1	-51.8	-178.6	-172.8	-91.1	0	0	0	111.3	W131 S279 E283 L284 Q285 V310	W131-Y281 HydrophobicContact CH2-CD2 4.11Å; W131-Y281 HydrophobicContact CH2-CG 4.48Å; W131-Y281 AromaticContact CZ2-CD2 3.78Å; W131-Y281 HydrophobicContact CZ2-CD2 3.78Å; W131-Y281 HydrophobicContact CZ2-CG 4.22Å; S279-Y281 PolarHBondContact O-N 3.25Å; Y281-E283 PolarHBondContact O-N 3.42Å; Y281-L284 PolarHBondContact O-N 2.81Å; Y281-Q285 HydrophobicContact CD1-CG 4.25Å; Y281-Q285 HydrophobicContact CE1-CG 4.03Å; Y281-Q285 WeakPolarHBondContact O-CG 3.49Å; Y281-Q285 PolarHBondContact O-N 3.05Å; Y281-V310 HydrophobicContact CD2-CG2 3.61Å; Y281-V310 HydrophobicContact CE1-CG2 4.38Å; Y281-V310 HydrophobicContact CE2-CG2 3.16Å; Y281-V310 HydrophobicContact CG-CG2 4.36Å
282	T	98	Very high	97.8	Very high	76 Å²	76	48.5 Å²	48.5	47%	0.466	29%	0.289	S	S	.	.	H	α-helix	trans	-66.5	-38.9	-178.1	51.1	0	0	0	0	111.9	S279 Q285 A286	S279-T282 PolarHBondContact O-N 3.34Å; S279-T282 PolarHBondContact O-OG1 2.8Å; T282-Q285 WeakPolarHBondContact O-CB 3.26Å; T282-Q285 PolarHBondContact O-N 2.91Å; T282-A286 PolarHBondContact O-N 3.02Å
283	E	98.4	Very high	97.6	Very high	46 Å²	46	54.2 Å²	54.2	22%	0.215	33%	0.327	C	S	.	.	H	α-helix	trans	-69.3	-38.9	176.4	-72.3	-55.7	139.5	0	0	112.1	R243 F245 F275 S279 Y281 Q285 A286 I287	R243-E283 IonicContact CZ-OE2 3.64Å; R243-E283 IonicContact NH1-OE2 2.67Å; R243-E283 PolarHBondContact NH1-OE2 2.85Å; F245-E283 HydrophobicContact CE1-CB 3.59Å; F245-E283 HydrophobicContact CE1-CG 3.58Å; F245-E283 HydrophobicContact CZ-CB 3.57Å; F245-E283 HydrophobicContact CZ-CG 3.96Å; F275-E283 HydrophobicContact CD1-CG 3.81Å; F275-E283 HydrophobicContact CE1-CG 3.93Å; F275-E283 HydrophobicContact CG-CG 4.35Å; S279-E283 WeakPolarHBondContact O-CB 3.41Å; S279-E283 WeakPolarHBondContact O-CG 3.44Å; S279-E283 PolarHBondContact O-N 2.98Å; Y281-E283 PolarHBondContact O-N 3.42Å; E283-Q285 VanDerWaalsContact C-N 3.32Å; E283-A286 PolarHBondContact O-N 3.43Å; E283-I287 WeakPolarHBondContact O-CG1 3.48Å; E283-I287 PolarHBondContact O-N 2.76Å
284	L	98.3	Very high	97.6	Very high	1 Å²	1	59.4 Å²	59.4	1%	0.005	35%	0.348	C	S	.	.	H	α-helix	trans	-66.2	-36.9	174.8	-178.1	60.6	0	0	0	111.5	V207 I236 V280 Y281 I287 C288 L307 V310 V311	V207-L284 HydrophobicContact CG2-CD1 3.95Å; I236-L284 HydrophobicContact CD1-CB 4.05Å; I236-L284 HydrophobicContact CD1-CD1 4.14Å; V280-L284 WeakPolarHBondContact O-CB 3.43Å; V280-L284 PolarHBondContact O-N 2.92Å; Y281-L284 PolarHBondContact O-N 2.81Å; L284-I287 PolarHBondContact O-N 3.49Å; L284-C288 WeakPolarHBondContact O-CB 3.47Å; L284-C288 PolarHBondContact O-N 3.14Å; L284-C288 PolarHBondContact O-SG 3.08Å; L284-L307 HydrophobicContact CD2-CB 4.36Å; L284-L307 HydrophobicContact CD2-CD2 4.1Å; L284-V310 HydrophobicContact CB-CG1 4.19Å; L284-V310 HydrophobicContact CD2-CB 4.03Å; L284-V310 HydrophobicContact CD2-CG1 4.02Å; L284-V310 HydrophobicContact CG-CB 4.31Å; L284-V310 HydrophobicContact CG-CG1 3.73Å; L284-V311 HydrophobicContact CD1-CG2 4.27Å; L284-V311 HydrophobicContact CD2-CG2 4.15Å; L284-V311 HydrophobicContact CG-CG2 4.48Å
285	Q	98.1	Very high	97.6	Very high	85 Å²	85	59.3 Å²	59.3	40%	0.397	35%	0.345	S	S	.	.	H	α-helix	trans	-60.3	-46.7	171.9	-77.6	-178.3	-41.2	0	0	111.7	Y281 T282 E283 I287 C288 A289 V310	Y281-Q285 HydrophobicContact CD1-CG 4.25Å; Y281-Q285 HydrophobicContact CE1-CG 4.03Å; Y281-Q285 WeakPolarHBondContact O-CG 3.49Å; Y281-Q285 PolarHBondContact O-N 3.05Å; T282-Q285 WeakPolarHBondContact O-CB 3.26Å; T282-Q285 PolarHBondContact O-N 2.91Å; E283-Q285 VanDerWaalsContact C-N 3.32Å; Q285-I287 PolarHBondContact O-N 2.8Å; Q285-C288 PolarHBondContact O-N 2.7Å; Q285-A289 PolarHBondContact O-N 3.07Å; Q285-V310 HydrophobicContact CB-CG1 4.26Å; Q285-V310 HydrophobicContact CG-CG1 3.57Å; Q285-V310 HydrophobicContact CG-CG2 4.25Å
286	A	98.1	Very high	97.6	Very high	56 Å²	56	60.8 Å²	60.8	46%	0.463	35%	0.352	S	S	.	.	H	α-helix	trans	-61.8	-42.3	178	0	0	0	0	0	112	T282 E283 A289 A290	T282-A286 PolarHBondContact O-N 3.02Å; E283-A286 PolarHBondContact O-N 3.43Å; A286-A289 PolarHBondContact O-N 2.98Å; A286-A290 PolarHBondContact O-N 3.1Å
287	I	97.8	Very high	97.6	Very high	8 Å²	8	57.7 Å²	57.7	4%	0.041	33%	0.332	C	S	.	.	H	α-helix	trans	-59.5	-48.3	173	-70.3	168.9	0	0	0	110.3	W205 I236 E283 L284 Q285 A289 A290 L291	W205-I287 HydrophobicContact CD2-CG2 3.81Å; W205-I287 HydrophobicContact CE3-CD1 4.23Å; W205-I287 HydrophobicContact CE3-CG2 4.44Å; W205-I287 HydrophobicContact CG-CG2 3.98Å; W205-I287 HydrophobicContact CH2-CD1 4.26Å; W205-I287 HydrophobicContact CH2-CG1 4.4Å; W205-I287 HydrophobicContact CZ2-CG1 4.46Å; W205-I287 HydrophobicContact CZ2-CG2 4.12Å; W205-I287 HydrophobicContact CZ3-CD1 4.03Å; I236-I287 HydrophobicContact CB-CD1 4.48Å; I236-I287 HydrophobicContact CD1-CD1 4.08Å; I236-I287 HydrophobicContact CG2-CD1 3.7Å; E283-I287 WeakPolarHBondContact O-CG1 3.48Å; E283-I287 PolarHBondContact O-N 2.76Å; L284-I287 PolarHBondContact O-N 3.49Å; Q285-I287 PolarHBondContact O-N 2.8Å; I287-A289 VanDerWaalsContact C-N 3.31Å; I287-A289 PolarHBondContact O-N 3.33Å; I287-A290 PolarHBondContact O-N 3.18Å; I287-A290 VanDerWaalsContact O-N 3.11Å; I287-L291 HydrophobicContact CG2-CD2 4.44Å; I287-L291 WeakPolarHBondContact O-CG 3.39Å; I287-L291 PolarHBondContact O-N 3.48Å
288	C	97.7	Very high	97.6	Very high	14 Å²	14	57.7 Å²	57.7	10%	0.095	33%	0.331	C	S	.	.	H	α-helix	trans	-62.7	-36.3	-178.3	-71.1	0	0	0	0	112.9	L284 Q285 A290 L291 P312	L284-C288 WeakPolarHBondContact O-CB 3.47Å; L284-C288 PolarHBondContact O-N 3.14Å; L284-C288 PolarHBondContact O-SG 3.08Å; Q285-C288 PolarHBondContact O-N 2.7Å; C288-A290 PolarHBondContact O-N 3.23Å; C288-L291 HydrophobicContact CB-CD1 4.34Å; C288-L291 WeakPolarHBondContact O-CG 3.29Å; C288-L291 PolarHBondContact O-N 2.85Å; C288-P312 HydrophobicContact CB-CG 4.48Å
289	A	97.4	Very high	97.6	Very high	93 Å²	93	50.9 Å²	50.9	77%	0.769	30%	0.3	S	S	*	.	H	α-helix	trans	-67.6	-24.6	176.4	0	0	0	0	0	113.2	Q285 A286 I287	Q285-A289 PolarHBondContact O-N 3.07Å; A286-A289 PolarHBondContact O-N 2.98Å; I287-A289 VanDerWaalsContact C-N 3.31Å; I287-A289 PolarHBondContact O-N 3.33Å
290	A	97.1	Very high	97.5	Very high	83 Å²	83	50.6 Å²	50.6	69%	0.686	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	1.4	179.7	0	0	0	0	0	113.8	A286 I287 C288 G292	A286-A290 PolarHBondContact O-N 3.1Å; I287-A290 PolarHBondContact O-N 3.18Å; I287-A290 VanDerWaalsContact O-N 3.11Å; C288-A290 PolarHBondContact O-N 3.23Å; A290-G292 PolarHBondContact O-N 2.8Å
291	L	97.3	Very high	97.1	Very high	24 Å²	24	52.6 Å²	52.6	13%	0.126	31%	0.308	C	S	.	.			trans	-67.5	130.3	-178.3	-65.8	173.8	0	0	0	111.5	I287 C288 D295 V297 H315	I287-L291 HydrophobicContact CG2-CD2 4.44Å; I287-L291 WeakPolarHBondContact O-CG 3.39Å; I287-L291 PolarHBondContact O-N 3.48Å; C288-L291 HydrophobicContact CB-CD1 4.34Å; C288-L291 WeakPolarHBondContact O-CG 3.29Å; C288-L291 PolarHBondContact O-N 2.85Å; L291-D295 HydrophobicContact CB-CB 4.16Å; L291-D295 HydrophobicContact CD2-CB 3.73Å; L291-D295 HydrophobicContact CG-CB 4.47Å; L291-V297 HydrophobicContact CD1-CG2 3.85Å; L291-V297 HydrophobicContact CD2-CG2 4.25Å; L291-H315 HydrophobicContact CD1-CB 3.69Å
292	G	96.5	Very high	96.9	Very high	26 Å²	26	54.2 Å²	54.2	27%	0.268	32%	0.317	S	S	.	.			trans	-72.2	162.2	167	0	0	0	0	0	111.7	A290 K294 D295 H315	A290-G292 PolarHBondContact O-N 2.8Å; G292-K294 PolarHBondContact O-N 3.1Å; G292-D295 WeakPolarHBondContact CA-OD2 3.41Å; G292-D295 PolarHBondContact N-OD2 2.94Å; G292-D295 WeakPolarHBondContact O-CB 3.11Å; G292-D295 PolarHBondContact O-N 3.08Å; G292-H315 PolarHBondContact O-CE1 3.42Å
293	P	94.8	Very high	96.8	Very high	128 Å²	128	50.6 Å²	50.6	83%	0.831	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-24.7	-173.3	-27.3	34.8	0	0	0	115.9
294	K	95.5	Very high	96.7	Very high	189 Å²	189	48.4 Å²	48.4	82%	0.822	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.6	-10.6	-179.1	-66.7	-177.5	-179.3	175.3	0	113.4	G292	G292-K294 PolarHBondContact O-N 3.1Å
295	D	97.8	Very high	96.6	Very high	51 Å²	51	48.4 Å²	48.4	27%	0.273	29%	0.285	S	S	.	.			trans	-66.8	143.3	-176.6	-71.4	-38.3	0	0	0	110.8	S204 L291 G292 H315	S204-D295 WeakPolarHBondContact OG-CA 3.48Å; S204-D295 WeakPolarHBondContact OG-CB 3.41Å; S204-D295 PolarHBondContact OG-OD1 2.89Å; L291-D295 HydrophobicContact CB-CB 4.16Å; L291-D295 HydrophobicContact CD2-CB 3.73Å; L291-D295 HydrophobicContact CG-CB 4.47Å; G292-D295 WeakPolarHBondContact CA-OD2 3.41Å; G292-D295 PolarHBondContact N-OD2 2.94Å; G292-D295 WeakPolarHBondContact O-CB 3.11Å; G292-D295 PolarHBondContact O-N 3.08Å; D295-H315 PolarHBondContact O-ND1 2.99Å
296	K	98.4	Very high	96.5	Very high	69 Å²	69	44.6 Å²	44.6	30%	0.3	27%	0.267	S	S	.	.			trans	-129.3	145.6	179.9	-61.8	-63.9	172	179.1	0	110.4	I203 S204 W205 A314 H315	I203-K296 HydrophobicContact CD1-CB 3.72Å; S204-K296 PolarHBondContact N-O 3.14Å; W205-K296 PolarHBondContact N-O 2.7Å; K296-A314 PolarHBondContact NZ-O 3.21Å; K296-H315 WeakPolarHBondContact CA-O 3.12Å
297	V	98.6	Very high	96.5	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.006	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	118.7	179.2	-174.1	0	0	0	0	108.4	W205 V207 L291 V311 H315 T317	W205-V297 HydrophobicContact CB-CB 4.48Å; W205-V297 HydrophobicContact CB-CG1 4.14Å; W205-V297 HydrophobicContact CB-CG2 4.17Å; W205-V297 CarbonylContact O-C 3.57Å; W205-V297 VanDerWaalsContact O-CA 3.31Å; W205-V297 WeakPolarHBondContact O-CA 3.39Å; V207-V297 HydrophobicContact CG2-CG1 3.8Å; L291-V297 HydrophobicContact CD1-CG2 3.85Å; L291-V297 HydrophobicContact CD2-CG2 4.25Å; V297-V311 HydrophobicContact CB-CG1 3.71Å; V297-V311 HydrophobicContact CG1-CG1 4.19Å; V297-V311 HydrophobicContact CG1-CG2 4.09Å; V297-V311 HydrophobicContact CG2-CG1 3.95Å; V297-H315 PolarHBondContact N-O 3.01Å; V297-T317 PolarHBondContact O-N 3.41Å
298	W	98.4	Very high	96.4	Very high	21 Å²	21	41.9 Å²	41.9	8%	0.08	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	131.2	166.7	-90.1	-25	0	0	0	110.5	K197 M198 R201 I203 W205 F206 V207 I319 P323	K197-W298 HydrophobicContact CB-CH2 4.49Å; K197-W298 HydrophobicContact CB-CZ3 4.47Å; K197-W298 WeakPolarHBondContact O-CH2 3.48Å; M198-W298 HydrophobicContact CB-CZ3 4.39Å; M198-W298 HydrophobicContact CG-CE3 3.94Å; M198-W298 HydrophobicContact CG-CZ3 3.81Å; R201-W298 HydrophobicContact CB-CH2 3.76Å; R201-W298 HydrophobicContact CB-CZ2 3.53Å; R201-W298 HydrophobicContact CG-CH2 3.72Å; R201-W298 HydrophobicContact CG-CZ2 3.6Å; I203-W298 HydrophobicContact CB-CD2 4.17Å; I203-W298 HydrophobicContact CB-CE3 4.21Å; I203-W298 HydrophobicContact CD1-CD2 4.08Å; I203-W298 HydrophobicContact CD1-CG 4.02Å; I203-W298 HydrophobicContact CD1-CZ2 4.49Å; I203-W298 HydrophobicContact CG1-CD2 3.59Å; I203-W298 VanDerWaalsContact CG1-CE2 3.49Å; I203-W298 HydrophobicContact CG1-CE3 3.99Å; I203-W298 HydrophobicContact CG1-CG 4.01Å; I203-W298 HydrophobicContact CG1-CH2 4.2Å; I203-W298 HydrophobicContact CG1-CZ2 3.84Å; I203-W298 HydrophobicContact CG1-CZ3 4.26Å; I203-W298 HydrophobicContact CG2-CB 4.03Å; I203-W298 HydrophobicContact CG2-CD2 3.86Å; I203-W298 HydrophobicContact CG2-CE3 3.95Å; I203-W298 HydrophobicContact CG2-CG 3.86Å; W205-W298 PolarHBondContact O-N 3.27Å; F206-W298 HydrophobicContact CB-CB 4.47Å; F206-W298 HydrophobicContact CD2-CB 3.83Å; V207-W298 PolarHBondContact N-O 3.23Å; W298-I319 HydrophobicContact CB-CD1 4.1Å; W298-I319 HydrophobicContact CD2-CD1 4.21Å; W298-I319 HydrophobicContact CG-CD1 3.92Å; W298-I319 HydrophobicContact CG-CG2 4.42Å; W298-P323 HydrophobicContact CE3-CG 3.79Å; W298-P323 HydrophobicContact CH2-CG 3.98Å; W298-P323 HydrophobicContact CZ3-CG 3.43Å; W298-P323 VanDerWaalsContact CZ3-CG 3.43Å
299	I	97.6	Very high	96.2	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	139.2	172.6	-172.6	158.8	0	0	0	108.1	V207 A303 L307 R316 T317 P318 I319	V207-I299 HydrophobicContact CB-CB 4.44Å; V207-I299 HydrophobicContact CB-CD1 4.24Å; V207-I299 HydrophobicContact CB-CG1 4.3Å; V207-I299 HydrophobicContact CG1-CD1 4.23Å; I299-A303 HydrophobicContact CD1-CB 4.05Å; I299-A303 HydrophobicContact CG1-CB 3.7Å; I299-L307 HydrophobicContact CD1-CB 4.22Å; I299-R316 HydrophobicContact CG2-CG 3.93Å; I299-T317 PolarHBondContact N-O 3.03Å; I299-P318 WeakPolarHBondContact O-CA 3.17Å; I299-I319 PolarHBondContact O-N 3.49Å; I299-I319 VanDerWaalsContact O-N 3.13Å
300	C	95.5	Very high	96.1	Very high	15 Å²	15	42.1 Å²	42.1	10%	0.101	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	143.9	178.7	-173.8	0	0	0	0	110.4	K302 A303 I319 T322	C300-K302 PolarHBondContact O-N 2.86Å; C300-K302 PolarHBondContact SG-N 2.87Å; C300-K302 VanDerWaalsContact SG-N 3.43Å; C300-A303 WeakPolarHBondContact O-CB 3.32Å; C300-A303 PolarHBondContact O-N 2.75Å; C300-A303 VanDerWaalsContact O-N 3.11Å; C300-I319 CarbonylContact C-O 3.6Å; C300-I319 VanDerWaalsContact CA-O 3.29Å; C300-I319 WeakPolarHBondContact CA-O 3.17Å; C300-T322 HydrophobicContact CB-CG2 3.96Å
301	D	91.3	Very high	96.2	Very high	44 Å²	44	38.1 Å²	38.1	24%	0.235	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-19.5	173.4	58.6	5.3	0	0	0	113.4	A135 D136 A303 P318 I319 P320	A135-D301 PolarHBondContact N-O 3.25Å; D136-D301 PolarHBondContact N-O 3.07Å; D301-A303 VanDerWaalsContact C-N 3.33Å; D301-P318 HydrophobicContact CB-CB 4.49Å; D301-I319 PolarHBondContact N-O 3.2Å; D301-P320 WeakPolarHBondContact OD1-CA 3.15Å; D301-P320 WeakPolarHBondContact OD2-CA 3.48Å
302	K	92.5	Very high	96.1	Very high	108 Å²	108	39.6 Å²	39.6	47%	0.47	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-13.8	169.7	-58.8	-176.8	-177.6	178.9	0	113.8	Q48 A134 C300	Q48-K302 VanDerWaalsContact CG-O 3.24Å; Q48-K302 WeakPolarHBondContact CG-O 3.43Å; Q48-K302 PolarHBondContact OE1-O 3.3Å; A134-K302 WeakPolarHBondContact CB-O 3.25Å; C300-K302 PolarHBondContact O-N 2.86Å; C300-K302 PolarHBondContact SG-N 2.87Å; C300-K302 VanDerWaalsContact SG-N 3.43Å
303	A	96.3	Very high	96.1	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.236	C	C	.	.	S	Bend	trans	-58.8	155.2	178.5	0	0	0	0	0	111	A135 T209 I299 C300 D301 C305	A135-A303 PolarHBondContact N-O 3.49Å; T209-A303 HydrophobicContact CG2-CB 3.96Å; I299-A303 HydrophobicContact CD1-CB 4.05Å; I299-A303 HydrophobicContact CG1-CB 3.7Å; C300-A303 WeakPolarHBondContact O-CB 3.32Å; C300-A303 PolarHBondContact O-N 2.75Å; C300-A303 VanDerWaalsContact O-N 3.11Å; D301-A303 VanDerWaalsContact C-N 3.33Å; A303-C305 PolarHBondContact O-N 3.36Å
304	S	96.9	Very high	96.2	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.224	C	C	.	.	B	Isolated β-bridge	trans	-52.1	142.8	178.2	70.3	0	0	0	0	111.9	W131 A306 L307 T308	W131-S304 WeakPolarHBondContact O-CB 3.49Å; S304-A306 PolarHBondContact O-N 2.9Å; S304-L307 PolarHBondContact O-N 3.48Å; S304-L307 PolarHBondContact OG-N 3.33Å; S304-T308 WeakPolarHBondContact O-CB 3.36Å; S304-T308 PolarHBondContact O-N 2.97Å; S304-T308 PolarHBondContact O-OG1 3.39Å
305	C	95.6	Very high	96.3	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.014	19%	0.191	C	C	.	.	H	α-helix	trans	-57.3	-36.4	175	-176.5	0	0	0	0	111	P130 I133 W138 A303 T308 Q309	P130-C305 HydrophobicContact CB-CB 4.36Å; P130-C305 WeakPolarHBondContact O-CB 3.5Å; P130-C305 PolarHBondContact O-N 3.13Å; I133-C305 HydrophobicContact CG2-CB 3.89Å; I133-C305 WeakPolarHBondContact O-CB 3.45Å; I133-C305 PolarHBondContact O-N 3.44Å; W138-C305 HydrophobicContact CB-CB 4.23Å; W138-C305 HydrophobicContact CD2-CB 4.35Å; W138-C305 HydrophobicContact CE3-CB 4.2Å; W138-C305 HydrophobicContact CG-CB 4.36Å; A303-C305 PolarHBondContact O-N 3.36Å; C305-T308 PolarHBondContact O-N 3.2Å; C305-Q309 VanDerWaalsContact O-CB 3.28Å; C305-Q309 WeakPolarHBondContact O-CB 3.29Å; C305-Q309 VanDerWaalsContact O-CG 3.24Å; C305-Q309 WeakPolarHBondContact O-CG 3.21Å; C305-Q309 PolarHBondContact O-N 3.48Å; C305-Q309 PolarHBondContact SG-NE2 3.2Å
306	A	96	Very high	96.3	Very high	4 Å²	4	38 Å²	38	3%	0.033	19%	0.191	C	C	.	.	H	α-helix	trans	-54.4	-56.7	176.8	0	0	0	0	0	112.2	P130 W131 S304 V310	P130-A306 HydrophobicContact CB-CB 4.03Å; P130-A306 HydrophobicContact CG-CB 4.24Å; P130-A306 PolarHBondContact O-N 2.83Å; W131-A306 HydrophobicContact CD2-CB 3.6Å; W131-A306 HydrophobicContact CE3-CB 4.04Å; W131-A306 HydrophobicContact CG-CB 3.87Å; W131-A306 HydrophobicContact CZ2-CB 4.19Å; S304-A306 PolarHBondContact O-N 2.9Å; A306-V310 WeakPolarHBondContact O-CG2 3.47Å; A306-V310 PolarHBondContact O-N 2.86Å
307	L	96.9	Very high	96.2	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-70.8	-38.1	-179	-68.4	178.5	0	0	0	112	W131 T209 Y234 V280 L284 I299 S304 Q309 V310	W131-L307 HydrophobicContact CH2-CD2 3.85Å; W131-L307 HydrophobicContact CH2-CG 4.25Å; W131-L307 HydrophobicContact CZ3-CD1 4.2Å; W131-L307 HydrophobicContact CZ3-CD2 3.87Å; W131-L307 HydrophobicContact CZ3-CG 3.8Å; T209-L307 HydrophobicContact CG2-CD1 3.7Å; Y234-L307 HydrophobicContact CD1-CD1 3.8Å; Y234-L307 HydrophobicContact CE1-CD1 3.39Å; V280-L307 HydrophobicContact CG1-CD2 4.13Å; V280-L307 HydrophobicContact CG2-CD2 4.11Å; L284-L307 HydrophobicContact CD2-CB 4.36Å; L284-L307 HydrophobicContact CD2-CD2 4.1Å; I299-L307 HydrophobicContact CD1-CB 4.22Å; S304-L307 PolarHBondContact O-N 3.48Å; S304-L307 PolarHBondContact OG-N 3.33Å; L307-Q309 VanDerWaalsContact C-N 3.31Å; L307-Q309 PolarHBondContact O-N 2.74Å; L307-V310 WeakPolarHBondContact O-CB 3.19Å; L307-V310 PolarHBondContact O-N 3.29Å
308	T	96	Very high	96	Very high	8 Å²	8	40.6 Å²	40.6	5%	0.049	21%	0.213	C	C	.	.	H	α-helix	trans	-62	-43	179.5	-57.3	0	0	0	0	110.8	A135 S304 C305 V310 V311 R316	A135-T308 HydrophobicContact CB-CG2 3.71Å; S304-T308 WeakPolarHBondContact O-CB 3.36Å; S304-T308 PolarHBondContact O-N 2.97Å; S304-T308 PolarHBondContact O-OG1 3.39Å; C305-T308 PolarHBondContact O-N 3.2Å; T308-V310 VanDerWaalsContact C-N 3.32Å; T308-V310 PolarHBondContact O-N 3.32Å; T308-V311 PolarHBondContact O-N 3.21Å; T308-R316 PolarHBondContact O-NE 2.83Å; T308-R316 PolarHBondContact O-NH2 2.87Å
309	Q	94.3	Very high	95.8	Very high	91 Å²	91	40.6 Å²	40.6	43%	0.425	22%	0.215	S	C	.	.	H	α-helix	trans	-66.1	-29.2	-179.7	-75.6	-176.8	-1.4	0	0	114	C305 L307 V311 R316	C305-Q309 VanDerWaalsContact O-CB 3.28Å; C305-Q309 WeakPolarHBondContact O-CB 3.29Å; C305-Q309 VanDerWaalsContact O-CG 3.24Å; C305-Q309 WeakPolarHBondContact O-CG 3.21Å; C305-Q309 PolarHBondContact O-N 3.48Å; C305-Q309 PolarHBondContact SG-NE2 3.2Å; L307-Q309 VanDerWaalsContact C-N 3.31Å; L307-Q309 PolarHBondContact O-N 2.74Å; Q309-V311 VanDerWaalsContact C-N 3.28Å; Q309-V311 PolarHBondContact O-N 3.38Å; Q309-R316 PolarHBondContact O-NH2 3.29Å
310	V	96	Very high	95.6	Very high	20 Å²	20	44.1 Å²	44.1	12%	0.121	24%	0.238	C	C	.	.	H	α-helix	trans	-58.6	-40.6	175.2	173.9	0	0	0	0	111.7	Y281 L284 Q285 A306 L307 T308 P312	Y281-V310 HydrophobicContact CD2-CG2 3.61Å; Y281-V310 HydrophobicContact CE1-CG2 4.38Å; Y281-V310 HydrophobicContact CE2-CG2 3.16Å; Y281-V310 HydrophobicContact CG-CG2 4.36Å; L284-V310 HydrophobicContact CB-CG1 4.19Å; L284-V310 HydrophobicContact CD2-CB 4.03Å; L284-V310 HydrophobicContact CD2-CG1 4.02Å; L284-V310 HydrophobicContact CG-CB 4.31Å; L284-V310 HydrophobicContact CG-CG1 3.73Å; Q285-V310 HydrophobicContact CB-CG1 4.26Å; Q285-V310 HydrophobicContact CG-CG1 3.57Å; Q285-V310 HydrophobicContact CG-CG2 4.25Å; A306-V310 WeakPolarHBondContact O-CG2 3.47Å; A306-V310 PolarHBondContact O-N 2.86Å; L307-V310 WeakPolarHBondContact O-CB 3.19Å; L307-V310 PolarHBondContact O-N 3.29Å; T308-V310 VanDerWaalsContact C-N 3.32Å; T308-V310 PolarHBondContact O-N 3.32Å; V310-P312 VanDerWaalsContact O-CD 3.28Å; V310-P312 WeakPolarHBondContact O-CD 3.18Å
311	V	97.4	Very high	95.6	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.241	C	C	.	.	S	Bend	trans	-73	116.1	-178.9	-175.1	0	0	0	0	109.6	L284 V297 T308 Q309 K313 R316	L284-V311 HydrophobicContact CD1-CG2 4.27Å; L284-V311 HydrophobicContact CD2-CG2 4.15Å; L284-V311 HydrophobicContact CG-CG2 4.48Å; V297-V311 HydrophobicContact CB-CG1 3.71Å; V297-V311 HydrophobicContact CG1-CG1 4.19Å; V297-V311 HydrophobicContact CG1-CG2 4.09Å; V297-V311 HydrophobicContact CG2-CG1 3.95Å; T308-V311 PolarHBondContact O-N 3.21Å; Q309-V311 VanDerWaalsContact C-N 3.28Å; Q309-V311 PolarHBondContact O-N 3.38Å; V311-K313 PolarHBondContact O-N 2.98Å; V311-R316 HydrophobicContact CB-CB 4.26Å; V311-R316 HydrophobicContact CB-CG 4.17Å; V311-R316 HydrophobicContact CG1-CB 3.69Å; V311-R316 HydrophobicContact CG1-CG 3.99Å; V311-R316 PolarHBondContact O-NE 3.22Å; V311-R316 PolarHBondContact O-NH2 2.95Å
312	P	96.8	Very high	95.9	Very high	55 Å²	55	43.6 Å²	43.6	36%	0.357	23%	0.231	S	C	.	.			trans	-59.9	142.3	-177	-21	30.9	0	0	0	111.7	C288 V310 A314 H315 R316	C288-P312 HydrophobicContact CB-CG 4.48Å; V310-P312 VanDerWaalsContact O-CD 3.28Å; V310-P312 WeakPolarHBondContact O-CD 3.18Å; P312-A314 PolarHBondContact O-N 3.11Å; P312-H315 PolarHBondContact O-N 2.81Å; P312-R316 PolarHBondContact O-N 3.25Å
313	K	95.5	Very high	96.2	Very high	192 Å²	192	38.9 Å²	38.9	84%	0.835	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-32	-175.1	-172.4	176.8	179.6	-179.4	0	113.5	V311 H315	V311-K313 PolarHBondContact O-N 2.98Å; K313-H315 VanDerWaalsContact C-N 3.31Å; K313-H315 PolarHBondContact O-N 2.86Å
314	A	96.8	Very high	96.3	Very high	70 Å²	70	39 Å²	39	58%	0.579	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-25.3	177.1	0	0	0	0	0	113.8	K296 P312	K296-A314 PolarHBondContact NZ-O 3.21Å; P312-A314 PolarHBondContact O-N 3.11Å
315	H	98	Very high	96.3	Very high	30 Å²	30	39.6 Å²	39.6	14%	0.139	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.7	-17.4	-179.5	-62.6	-75.4	0	0	0	113.1	L291 G292 D295 K296 V297 P312 K313	L291-H315 HydrophobicContact CD1-CB 3.69Å; G292-H315 PolarHBondContact O-CE1 3.42Å; D295-H315 PolarHBondContact O-ND1 2.99Å; K296-H315 WeakPolarHBondContact CA-O 3.12Å; V297-H315 PolarHBondContact N-O 3.01Å; P312-H315 PolarHBondContact O-N 2.81Å; K313-H315 VanDerWaalsContact C-N 3.31Å; K313-H315 PolarHBondContact O-N 2.86Å
316	R	97.6	Very high	96.5	Very high	69 Å²	69	42.3 Å²	42.3	26%	0.26	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	123.3	-176.3	-164.1	-172.2	-56	173.7	2.6	112	I299 T308 Q309 V311 P312 P318	I299-R316 HydrophobicContact CG2-CG 3.93Å; T308-R316 PolarHBondContact O-NE 2.83Å; T308-R316 PolarHBondContact O-NH2 2.87Å; Q309-R316 PolarHBondContact O-NH2 3.29Å; V311-R316 HydrophobicContact CB-CB 4.26Å; V311-R316 HydrophobicContact CB-CG 4.17Å; V311-R316 HydrophobicContact CG1-CB 3.69Å; V311-R316 HydrophobicContact CG1-CG 3.99Å; V311-R316 PolarHBondContact O-NE 3.22Å; V311-R316 PolarHBondContact O-NH2 2.95Å; P312-R316 PolarHBondContact O-N 3.25Å; R316-P318 WeakPolarHBondContact O-CD 3.39Å
317	T	96.9	Very high	96.6	Very high	42 Å²	42	43.7 Å²	43.7	26%	0.258	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	89.7	171.9	-56.3	0	0	0	0	108.5	I203 V297 I299	I203-T317 HydrophobicContact CD1-CG2 4.26Å; V297-T317 PolarHBondContact O-N 3.41Å; I299-T317 PolarHBondContact N-O 3.03Å
318	P	94	Very high	96.6	Very high	81 Å²	81	43.9 Å²	43.9	53%	0.526	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	142.4	177.6	29.1	-33.7	0	0	0	110.7	I299 D301 R316	I299-P318 WeakPolarHBondContact O-CA 3.17Å; D301-P318 HydrophobicContact CB-CB 4.49Å; R316-P318 WeakPolarHBondContact O-CD 3.39Å
319	I	94.8	Very high	96.8	Very high	21 Å²	21	43.5 Å²	43.5	11%	0.108	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	138	177.9	57	-175.4	0	0	0	110.9	W298 I299 C300 D301 T322	W298-I319 HydrophobicContact CB-CD1 4.1Å; W298-I319 HydrophobicContact CD2-CD1 4.21Å; W298-I319 HydrophobicContact CG-CD1 3.92Å; W298-I319 HydrophobicContact CG-CG2 4.42Å; I299-I319 PolarHBondContact O-N 3.49Å; I299-I319 VanDerWaalsContact O-N 3.13Å; C300-I319 CarbonylContact C-O 3.6Å; C300-I319 VanDerWaalsContact CA-O 3.29Å; C300-I319 WeakPolarHBondContact CA-O 3.17Å; D301-I319 PolarHBondContact N-O 3.2Å; I319-T322 HydrophobicContact CD1-CG2 4.34Å
320	P	92.6	Very high	97	Very high	75 Å²	75	41.7 Å²	41.7	49%	0.487	23%	0.233	S	C	.	.	S	Bend	trans	-70.3	-35.8	179.1	26.8	-33.7	0	0	0	112.7	D301	D301-P320 WeakPolarHBondContact OD1-CA 3.15Å; D301-P320 WeakPolarHBondContact OD2-CA 3.48Å
321	Y	95.3	Very high	97.1	Very high	45 Å²	45	41.1 Å²	41.1	18%	0.176	23%	0.229	C	C	.	.	S	Bend	trans	-131.1	134	175.2	-54.9	-58.5	0	0	0	109.4	P510 A519 E521	Y321-P510 HydrophobicContact CD1-CB 3.54Å; Y321-P510 HydrophobicContact CD1-CG 4.45Å; Y321-P510 HydrophobicContact CD2-CB 4.05Å; Y321-P510 HydrophobicContact CE1-CB 3.45Å; Y321-P510 VanDerWaalsContact CE1-CB 3.45Å; Y321-P510 HydrophobicContact CE2-CB 3.97Å; Y321-P510 HydrophobicContact CG-CB 3.84Å; Y321-P510 HydrophobicContact CG-CG 4.42Å; Y321-A519 VanDerWaalsContact CE2-O 3.23Å; Y321-A519 WeakPolarHBondContact CE2-O 3.43Å; Y321-A519 PolarHBondContact OH-O 3.17Å; Y321-E521 HydrophobicContact CD2-CG 4.01Å; Y321-E521 HydrophobicContact CE2-CG 4.13Å
322	T	98	Very high	97.2	Very high	3 Å²	3	43.2 Å²	43.2	2%	0.018	24%	0.24	C	C	.	.			trans	-75.8	159.7	178.1	78.7	0	0	0	0	110.9	F206 E213 C300 I319 L324 C325 L326	F206-T322 HydrophobicContact CE2-CG2 3.88Å; F206-T322 HydrophobicContact CZ-CG2 4.03Å; E213-T322 WeakPolarHBondContact OE1-CG2 3.35Å; E213-T322 PolarHBondContact OE1-OG1 3.3Å; E213-T322 WeakPolarHBondContact OE2-CB 3.24Å; E213-T322 WeakPolarHBondContact OE2-CG2 3.46Å; E213-T322 PolarHBondContact OE2-OG1 3.3Å; C300-T322 HydrophobicContact CB-CG2 3.96Å; I319-T322 HydrophobicContact CD1-CG2 4.34Å; T322-L324 PolarHBondContact O-N 2.78Å; T322-L324 VanDerWaalsContact O-N 3.13Å; T322-L324 PolarHBondContact OG1-N 3.33Å; T322-C325 PolarHBondContact O-N 3.32Å; T322-C325 PolarHBondContact OG1-N 3.01Å; T322-L326 WeakPolarHBondContact O-CG 3.46Å; T322-L326 PolarHBondContact O-N 3.38Å; T322-L326 VanDerWaalsContact O-N 3.1Å
323	P	98.1	Very high	97.3	Very high	9 Å²	9	44.6 Å²	44.6	6%	0.058	26%	0.256	C	S	.	.	H	α-helix	trans	-55.9	-25.4	169.4	-26	35.1	0	0	0	114.2	L194 K197 W298 S327	L194-P323 HydrophobicContact CD1-CB 3.75Å; L194-P323 HydrophobicContact CD1-CG 3.97Å; K197-P323 HydrophobicContact CD-CB 3.7Å; K197-P323 PolarHBondContact NZ-O 3.03Å; W298-P323 HydrophobicContact CE3-CG 3.79Å; W298-P323 HydrophobicContact CH2-CG 3.98Å; W298-P323 HydrophobicContact CZ3-CG 3.43Å; W298-P323 VanDerWaalsContact CZ3-CG 3.43Å; P323-S327 WeakPolarHBondContact O-CB 3.4Å; P323-S327 PolarHBondContact O-N 2.92Å; P323-S327 PolarHBondContact O-OG 3.16Å
324	L	98.5	Very high	97.4	Very high	2 Å²	2	37.6 Å²	37.6	1%	0.01	23%	0.23	C	C	.	.	H	α-helix	trans	-77.9	-46.7	177.9	-58.5	-176.2	0	0	0	111.2	L194 F206 E213 W216 L217 T322 L326 S327 K328	L194-L324 HydrophobicContact CB-CD2 4.47Å; L194-L324 HydrophobicContact CD1-CD2 4.32Å; L194-L324 HydrophobicContact CD2-CD2 4.29Å; F206-L324 HydrophobicContact CE1-CD1 3.53Å; F206-L324 HydrophobicContact CE1-CG 3.93Å; F206-L324 HydrophobicContact CZ-CD1 3.96Å; F206-L324 HydrophobicContact CZ-CG 4.13Å; E213-L324 HydrophobicContact CB-CB 4.12Å; E213-L324 HydrophobicContact CB-CD1 4Å; E213-L324 HydrophobicContact CG-CB 4.06Å; W216-L324 HydrophobicContact CE3-CD2 4.38Å; W216-L324 HydrophobicContact CZ3-CD2 3.97Å; L217-L324 HydrophobicContact CB-CD1 4.17Å; L217-L324 HydrophobicContact CD1-CD2 3.91Å; L217-L324 HydrophobicContact CD2-CD1 4.04Å; L217-L324 HydrophobicContact CG-CD1 4.48Å; T322-L324 PolarHBondContact O-N 2.78Å; T322-L324 VanDerWaalsContact O-N 3.13Å; T322-L324 PolarHBondContact OG1-N 3.33Å; L324-L326 VanDerWaalsContact C-N 3.29Å; L324-L326 PolarHBondContact O-N 3.05Å; L324-S327 PolarHBondContact O-N 3.21Å; L324-S327 VanDerWaalsContact O-N 3.16Å; L324-K328 WeakPolarHBondContact O-CG 3.25Å; L324-K328 PolarHBondContact O-N 3.44Å
325	C	98.3	Very high	97.5	Very high	12 Å²	12	34.7 Å²	34.7	8%	0.081	20%	0.204	C	C	.	.	H	α-helix	trans	-52	-48.9	172.7	177.1	0	0	0	0	111.3	E213 T322 A329 P510	E213-C325 WeakPolarHBondContact OE1-CB 3.4Å; T322-C325 PolarHBondContact O-N 3.32Å; T322-C325 PolarHBondContact OG1-N 3.01Å; C325-A329 WeakPolarHBondContact O-CB 3.35Å; C325-A329 PolarHBondContact O-N 2.84Å; C325-P510 VanDerWaalsContact SG-CD 3.54Å
326	L	98.2	Very high	97.6	Very high	59 Å²	59	34.9 Å²	34.9	31%	0.309	21%	0.206	S	C	.	.	H	α-helix	trans	-64.4	-42	178	-63	174	0	0	0	112.7	T322 L324 P510 E521	T322-L326 WeakPolarHBondContact O-CG 3.46Å; T322-L326 PolarHBondContact O-N 3.38Å; T322-L326 VanDerWaalsContact O-N 3.1Å; L324-L326 VanDerWaalsContact C-N 3.29Å; L324-L326 PolarHBondContact O-N 3.05Å; L326-P510 HydrophobicContact CD2-CG 4.02Å; L326-E521 HydrophobicContact CD2-CG 3.57Å; L326-E521 WeakPolarHBondContact CD2-OE2 3.34Å
327	S	98.2	Very high	97.6	Very high	34 Å²	34	38.6 Å²	38.6	24%	0.238	22%	0.224	C	C	.	.	H	α-helix	trans	-69.3	-42	-178.3	-70.4	0	0	0	0	112.7	K197 P323 L324 A329	K197-S327 PolarHBondContact NZ-OG 3.49Å; P323-S327 WeakPolarHBondContact O-CB 3.4Å; P323-S327 PolarHBondContact O-N 2.92Å; P323-S327 PolarHBondContact O-OG 3.16Å; L324-S327 PolarHBondContact O-N 3.21Å; L324-S327 VanDerWaalsContact O-N 3.16Å; S327-A329 VanDerWaalsContact C-N 3.34Å
328	K	98.5	Very high	97.7	Very high	4 Å²	4	37 Å²	37	2%	0.017	22%	0.216	C	C	.	.	H	α-helix	trans	-76.6	-21.3	-176.6	74.6	-175.2	176.8	67.4	0	113.7	D212 W216 L324 V330 K331 L504 E508	D212-K328 WeakPolarHBondContact OD2-CE 3.38Å; D212-K328 IonicContact OD2-NZ 3.27Å; D212-K328 PolarHBondContact OD2-NZ 3.25Å; W216-K328 HydrophobicContact CB-CD 4.16Å; W216-K328 HydrophobicContact CD2-CB 3.74Å; W216-K328 HydrophobicContact CE3-CB 4.44Å; W216-K328 HydrophobicContact CG-CB 3.78Å; W216-K328 HydrophobicContact CG-CD 4.2Å; W216-K328 HydrophobicContact CZ2-CB 4.22Å; L324-K328 WeakPolarHBondContact O-CG 3.25Å; L324-K328 PolarHBondContact O-N 3.44Å; K328-V330 PolarHBondContact O-N 3.08Å; K328-K331 WeakPolarHBondContact O-CE 3.33Å; K328-L504 HydrophobicContact CD-CD2 4.29Å; K328-E508 VanDerWaalsContact NZ-CG 3.29Å; K328-E508 IonicContact NZ-OE2 3.78Å; K328-E508 PolarHBondContact NZ-OE2 2.87Å
329	A	98.6	Very high	98	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-61.2	-32.6	176.2	0	0	0	0	0	112.5	C325 S327 K331 M527	C325-A329 WeakPolarHBondContact O-CB 3.35Å; C325-A329 PolarHBondContact O-N 2.84Å; S327-A329 VanDerWaalsContact C-N 3.34Å; A329-K331 PolarHBondContact O-NZ 3.49Å; A329-M527 HydrophobicContact CB-CE 4.49Å; A329-M527 WeakPolarHBondContact O-CA 3.07Å
330	V	98.7	Very high	98.2	Very high	52 Å²	52	35.2 Å²	35.2	32%	0.315	20%	0.199	S	C	.	.	B	Isolated β-bridge	trans	-97.3	106	177.6	-175.3	0	0	0	0	109.5	K328 A525 M527	K328-V330 PolarHBondContact O-N 3.08Å; V330-A525 WeakPolarHBondContact CG1-O 3.31Å; V330-M527 HydrophobicContact CG2-CE 3.79Å; V330-M527 HydrophobicContact CG2-CG 3.99Å
331	K	98.8	Very high	98.5	Very high	8 Å²	8	35.4 Å²	35.4	4%	0.035	19%	0.194	C	C	.	.			trans	-75.8	136.2	-175.6	-78.4	71.1	-172.6	-177.6	0	109.8	K328 A329 E335 I336 V500 C502 E508 G526 I528	K328-K331 WeakPolarHBondContact O-CE 3.33Å; A329-K331 PolarHBondContact O-NZ 3.49Å; K331-E335 WeakPolarHBondContact CA-OE2 3.41Å; K331-E335 HydrophobicContact CB-CB 3.84Å; K331-E335 HydrophobicContact CG-CB 3.96Å; K331-I336 HydrophobicContact CB-CG1 3.75Å; K331-I336 WeakPolarHBondContact O-CD1 3.47Å; K331-V500 VanDerWaalsContact CE-O 3.31Å; K331-V500 WeakPolarHBondContact CE-O 2.99Å; K331-V500 PolarHBondContact NZ-O 3.21Å; K331-C502 HydrophobicContact CG-CB 4.46Å; K331-E508 IonicContact NZ-OE1 2.88Å; K331-E508 PolarHBondContact NZ-OE1 3.43Å; K331-G526 WeakPolarHBondContact CB-O 3.3Å; K331-G526 PolarHBondContact N-O 2.92Å; K331-I528 HydrophobicContact CB-CD1 4.39Å; K331-I528 HydrophobicContact CD-CD1 4.05Å; K331-I528 HydrophobicContact CD-CG1 4.23Å; K331-I528 HydrophobicContact CG-CD1 4Å
332	N	98.8	Very high	98.6	Very high	45 Å²	45	33.2 Å²	33.2	24%	0.241	19%	0.186	C	C	.	.			trans	-76	172.9	173.2	72.3	63.7	0	0	0	111.4	T183 T334 E335 I336	T183-N332 PolarHBondContact O-ND2 3.24Å; N332-T334 VanDerWaalsContact C-N 3.25Å; N332-T334 PolarHBondContact O-N 3.44Å; N332-T334 WeakPolarHBondContact OD1-CA 3.37Å; N332-T334 VanDerWaalsContact OD1-CB 3.24Å; N332-T334 WeakPolarHBondContact OD1-CB 3.46Å; N332-T334 PolarHBondContact OD1-N 3.18Å; N332-E335 PolarHBondContact N-OE2 3.45Å; N332-E335 PolarHBondContact ND2-OE2 3.39Å; N332-E335 PolarHBondContact O-N 3.35Å; N332-E335 PolarHBondContact OD1-N 3.35Å; N332-I336 VanDerWaalsContact O-CG1 3.31Å; N332-I336 WeakPolarHBondContact O-CG1 3.42Å; N332-I336 PolarHBondContact O-N 3.47Å
333	A	98.8	Very high	98.7	Very high	83 Å²	83	33.3 Å²	33.3	69%	0.686	19%	0.186	S	C	*	.	H	α-helix	trans	-59.3	-33.3	-175.9	0	0	0	0	0	113.9	K337	A333-K337 WeakPolarHBondContact O-CB 3.25Å; A333-K337 PolarHBondContact O-N 2.76Å
334	T	98.8	Very high	98.7	Very high	46 Å²	46	34.3 Å²	34.3	28%	0.282	19%	0.19	S	C	.	.	H	α-helix	trans	-70.1	-48.4	176.3	-57.1	0	0	0	0	110.7	E181 N332 I336 K337 G338	E181-T334 WeakPolarHBondContact O-CG2 3.43Å; N332-T334 VanDerWaalsContact C-N 3.25Å; N332-T334 PolarHBondContact O-N 3.44Å; N332-T334 WeakPolarHBondContact OD1-CA 3.37Å; N332-T334 VanDerWaalsContact OD1-CB 3.24Å; N332-T334 WeakPolarHBondContact OD1-CB 3.46Å; N332-T334 PolarHBondContact OD1-N 3.18Å; T334-I336 PolarHBondContact O-N 2.97Å; T334-K337 WeakPolarHBondContact O-CB 3.39Å; T334-K337 PolarHBondContact O-N 2.93Å; T334-G338 PolarHBondContact O-N 2.78Å
335	E	98.9	Very high	98.7	Very high	8 Å²	8	34.8 Å²	34.8	4%	0.037	19%	0.193	C	C	.	.	H	α-helix	trans	-61.1	-43	176.9	-69.7	168.8	142.7	0	0	111.2	W216 K331 N332 K337 G338 M339 C502	W216-E335 PolarHBondContact NE1-OE1 3.42Å; K331-E335 WeakPolarHBondContact CA-OE2 3.41Å; K331-E335 HydrophobicContact CB-CB 3.84Å; K331-E335 HydrophobicContact CG-CB 3.96Å; N332-E335 PolarHBondContact N-OE2 3.45Å; N332-E335 PolarHBondContact ND2-OE2 3.39Å; N332-E335 PolarHBondContact O-N 3.35Å; N332-E335 PolarHBondContact OD1-N 3.35Å; E335-K337 VanDerWaalsContact C-N 3.33Å; E335-K337 PolarHBondContact O-N 3.01Å; E335-G338 PolarHBondContact O-N 2.8Å; E335-M339 VanDerWaalsContact O-CG 3.29Å; E335-M339 WeakPolarHBondContact O-CG 3.42Å; E335-M339 PolarHBondContact O-N 2.97Å; E335-C502 HydrophobicContact CB-CB 4.34Å; E335-C502 HydrophobicContact CG-CB 4.41Å
336	I	98.9	Very high	98.8	Very high	34 Å²	34	34.4 Å²	34.4	17%	0.174	19%	0.189	C	C	.	.	H	α-helix	trans	-60.5	-43.3	175.7	-69.1	167.9	0	0	0	111.1	K331 N332 T334 G338 M339 K340 L550	K331-I336 HydrophobicContact CB-CG1 3.75Å; K331-I336 WeakPolarHBondContact O-CD1 3.47Å; N332-I336 VanDerWaalsContact O-CG1 3.31Å; N332-I336 WeakPolarHBondContact O-CG1 3.42Å; N332-I336 PolarHBondContact O-N 3.47Å; T334-I336 PolarHBondContact O-N 2.97Å; I336-G338 VanDerWaalsContact C-N 3.34Å; I336-M339 PolarHBondContact O-N 3.39Å; I336-K340 HydrophobicContact CG2-CD 4.46Å; I336-K340 WeakPolarHBondContact O-CG 3.44Å; I336-K340 PolarHBondContact O-N 2.9Å; I336-L550 HydrophobicContact CD1-CD1 4.15Å; I336-L550 HydrophobicContact CG1-CD1 4.08Å; I336-L550 HydrophobicContact CG2-CD1 4.49Å; I336-L550 HydrophobicContact CG2-CD2 3.72Å
337	K	98.9	Very high	98.8	Very high	148 Å²	148	31.7 Å²	31.7	64%	0.643	18%	0.176	S	C	*	.	H	α-helix	trans	-62.8	-43.7	176.7	-177.5	-174.3	175.1	-170.8	0	110.7	A333 T334 E335 K340 M341	A333-K337 WeakPolarHBondContact O-CB 3.25Å; A333-K337 PolarHBondContact O-N 2.76Å; T334-K337 WeakPolarHBondContact O-CB 3.39Å; T334-K337 PolarHBondContact O-N 2.93Å; E335-K337 VanDerWaalsContact C-N 3.33Å; E335-K337 PolarHBondContact O-N 3.01Å; K337-K340 PolarHBondContact O-N 3.47Å; K337-M341 WeakPolarHBondContact O-CG 3.46Å; K337-M341 PolarHBondContact O-N 3.1Å
338	G	98.8	Very high	98.8	Very high	9 Å²	9	30 Å²	30	9%	0.093	16%	0.164	C	C	.	.	H	α-helix	trans	-59.6	-47.9	176.3	0	0	0	0	0	112.2	T334 E335 I336 K340 M341 A342 D431	T334-G338 PolarHBondContact O-N 2.78Å; E335-G338 PolarHBondContact O-N 2.8Å; I336-G338 VanDerWaalsContact C-N 3.34Å; G338-K340 VanDerWaalsContact C-N 3.34Å; G338-K340 PolarHBondContact O-N 3.3Å; G338-M341 WeakPolarHBondContact O-CB 3.38Å; G338-M341 PolarHBondContact O-N 3.35Å; G338-A342 PolarHBondContact O-N 2.94Å; G338-D431 CarbonylContact C-O 3.53Å; G338-D431 WeakPolarHBondContact CA-O 3.47Å
339	M	98.9	Very high	98.8	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-58.3	-43.6	175.8	-69.1	-69	-77.4	0	0	111.9	E335 I336 M341 A342 H343 D431 G432 T433 V500 G501 C502 I528 L571	E335-M339 VanDerWaalsContact O-CG 3.29Å; E335-M339 WeakPolarHBondContact O-CG 3.42Å; E335-M339 PolarHBondContact O-N 2.97Å; I336-M339 PolarHBondContact O-N 3.39Å; M339-M341 VanDerWaalsContact C-N 3.33Å; M339-M341 PolarHBondContact O-N 2.93Å; M339-A342 PolarHBondContact O-N 3.38Å; M339-H343 PolarHBondContact O-N 2.91Å; M339-H343 PolarHBondContact O-ND1 2.78Å; M339-D431 PolarHBondContact N-O 3.13Å; M339-G432 WeakPolarHBondContact SD-CA 3.32Å; M339-T433 VanDerWaalsContact CE-O 3.29Å; M339-T433 WeakPolarHBondContact CE-O 3.44Å; M339-T433 PolarHBondContact SD-N 2.8Å; M339-T433 VanDerWaalsContact SD-N 3.36Å; M339-V500 HydrophobicContact CE-CG1 3.98Å; M339-G501 WeakPolarHBondContact CE-O 3.48Å; M339-C502 HydrophobicContact CG-CB 4.39Å; M339-C502 HydrophobicContact SD-CB 4.23Å; M339-I528 HydrophobicContact CB-CD1 3.96Å; M339-I528 HydrophobicContact CE-CD1 3.85Å; M339-I528 HydrophobicContact CE-CG2 4.09Å; M339-I528 HydrophobicContact CG-CD1 3.67Å; M339-L571 HydrophobicContact CB-CD1 4.05Å
340	K	98.9	Very high	98.9	Very high	64 Å²	64	30.1 Å²	30.1	28%	0.278	17%	0.165	S	C	.	.	H	α-helix	trans	-59	-43.4	173.9	-74.4	-177.8	-176	-155.9	0	111.8	I336 K337 G338 H343 I344 E569 L571	I336-K340 HydrophobicContact CG2-CD 4.46Å; I336-K340 WeakPolarHBondContact O-CG 3.44Å; I336-K340 PolarHBondContact O-N 2.9Å; K337-K340 PolarHBondContact O-N 3.47Å; G338-K340 VanDerWaalsContact C-N 3.34Å; G338-K340 PolarHBondContact O-N 3.3Å; K340-H343 PolarHBondContact O-N 2.81Å; K340-I344 VanDerWaalsContact O-CG1 3.28Å; K340-I344 WeakPolarHBondContact O-CG1 3.28Å; K340-I344 PolarHBondContact O-N 2.63Å; K340-E569 IonicContact NZ-OE1 3.64Å; K340-E569 PolarHBondContact NZ-OE1 2.87Å; K340-E569 IonicContact NZ-OE2 3.1Å; K340-E569 PolarHBondContact NZ-OE2 3.41Å; K340-L571 HydrophobicContact CG-CD2 3.72Å
341	M	98.8	Very high	98.9	Very high	78 Å²	78	27.7 Å²	27.7	38%	0.384	15%	0.15	S	C	.	.	H	α-helix	trans	-67.6	-40.1	178.4	-69.3	-54.2	-50.8	0	0	112.9	K337 G338 M339 I344 K345	K337-M341 WeakPolarHBondContact O-CG 3.46Å; K337-M341 PolarHBondContact O-N 3.1Å; G338-M341 WeakPolarHBondContact O-CB 3.38Å; G338-M341 PolarHBondContact O-N 3.35Å; M339-M341 VanDerWaalsContact C-N 3.33Å; M339-M341 PolarHBondContact O-N 2.93Å; M341-I344 PolarHBondContact O-N 3.45Å; M341-I344 HydrophobicContact SD-CD1 4.28Å; M341-K345 WeakPolarHBondContact O-CG 3.4Å; M341-K345 PolarHBondContact O-N 3.42Å; M341-K345 VanDerWaalsContact O-N 3.1Å
342	A	98.9	Very high	98.9	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-59	-46.7	174.6	0	0	0	0	0	111.1	G338 M339 I344 K345 D346 Y429 T434	G338-A342 PolarHBondContact O-N 2.94Å; M339-A342 PolarHBondContact O-N 3.38Å; A342-I344 PolarHBondContact O-N 3.14Å; A342-K345 PolarHBondContact O-N 2.92Å; A342-D346 WeakPolarHBondContact O-CB 3.16Å; A342-D346 PolarHBondContact O-N 3Å; A342-Y429 HydrophobicContact CB-CD2 3.83Å; A342-Y429 HydrophobicContact CB-CG 4.19Å; A342-T434 HydrophobicContact CB-CG2 4.2Å
343	H	98.9	Very high	98.9	Very high	4 Å²	4	26.7 Å²	26.7	2%	0.019	14%	0.144	C	C	.	.	H	α-helix	trans	-69.5	-30.7	179.6	-71.1	74.7	0	0	0	113.5	M339 K340 A347 T433 V548 L571	M339-H343 PolarHBondContact O-N 2.91Å; M339-H343 PolarHBondContact O-ND1 2.78Å; K340-H343 PolarHBondContact O-N 2.81Å; H343-A347 VanDerWaalsContact O-CB 3.25Å; H343-A347 WeakPolarHBondContact O-CB 3.36Å; H343-A347 PolarHBondContact O-N 2.63Å; H343-T433 PolarHBondContact CE1-O 3.02Å; H343-V548 VanDerWaalsContact NE2-CB 3.32Å; H343-V548 WeakPolarHBondContact NE2-CB 3.35Å; H343-L571 HydrophobicContact CB-CB 4.21Å; H343-L571 VanDerWaalsContact CB-O 3.26Å; H343-L571 WeakPolarHBondContact CB-O 3.46Å
344	I	98.9	Very high	98.9	Very high	30 Å²	30	23 Å²	23	15%	0.154	11%	0.113	C	C	.	.	H	α-helix	trans	-64	-48.4	172.1	-72.7	165.8	0	0	0	110.4	K340 M341 A342 D346 A347 V348 V604 I605 E608	K340-I344 VanDerWaalsContact O-CG1 3.28Å; K340-I344 WeakPolarHBondContact O-CG1 3.28Å; K340-I344 PolarHBondContact O-N 2.63Å; M341-I344 PolarHBondContact O-N 3.45Å; M341-I344 HydrophobicContact SD-CD1 4.28Å; A342-I344 PolarHBondContact O-N 3.14Å; I344-D346 VanDerWaalsContact C-N 3.33Å; I344-D346 PolarHBondContact O-N 3.46Å; I344-A347 PolarHBondContact O-N 3.47Å; I344-V348 WeakPolarHBondContact O-CG2 3.36Å; I344-V348 PolarHBondContact O-N 3.27Å; I344-V348 VanDerWaalsContact O-N 3.1Å; I344-V604 HydrophobicContact CD1-CG1 3.92Å; I344-V604 HydrophobicContact CG1-CG1 3.94Å; I344-I605 HydrophobicContact CB-CD1 4.28Å; I344-I605 HydrophobicContact CG1-CD1 4.15Å; I344-I605 HydrophobicContact CG2-CD1 4.18Å; I344-E608 HydrophobicContact CG2-CB 3.98Å; I344-E608 HydrophobicContact CG2-CG 3.73Å
345	K	98.9	Very high	98.9	Very high	13 Å²	13	21.4 Å²	21.4	6%	0.057	10%	0.104	C	C	.	.	H	α-helix	trans	-59.4	-44.6	176.2	-72.5	-177.3	-68.1	-172.2	0	111.5	M341 A342 V348 A349 Q382 K383 D384 Y429 D431	M341-K345 WeakPolarHBondContact O-CG 3.4Å; M341-K345 PolarHBondContact O-N 3.42Å; M341-K345 VanDerWaalsContact O-N 3.1Å; A342-K345 PolarHBondContact O-N 2.92Å; K345-V348 WeakPolarHBondContact O-CB 3.2Å; K345-V348 PolarHBondContact O-N 3.33Å; K345-A349 PolarHBondContact O-N 3.46Å; K345-Q382 HydrophobicContact CB-CB 4.08Å; K345-Q382 HydrophobicContact CB-CG 4.26Å; K345-Q382 WeakPolarHBondContact O-CG 3.24Å; K345-K383 HydrophobicContact CD-CB 4.28Å; K345-K383 VanDerWaalsContact CD-O 3.23Å; K345-K383 WeakPolarHBondContact CD-O 3.24Å; K345-K383 WeakPolarHBondContact CE-O 3.48Å; K345-K383 PolarHBondContact NZ-O 3.07Å; K345-D384 IonicContact NZ-OD2 3.66Å; K345-Y429 HydrophobicContact CB-CE1 4.13Å; K345-Y429 HydrophobicContact CD-CD1 4.39Å; K345-D431 IonicContact NZ-OD2 2.76Å; K345-D431 PolarHBondContact NZ-OD2 3.26Å
346	D	98.9	Very high	98.9	Very high	3 Å²	3	24.2 Å²	24.2	2%	0.016	11%	0.114	C	C	.	.	H	α-helix	trans	-66.2	-39.8	-179.6	-149	60.8	0	0	0	112.5	A342 I344 V348 A349 L350 R379 Y429 T434	A342-D346 WeakPolarHBondContact O-CB 3.16Å; A342-D346 PolarHBondContact O-N 3Å; I344-D346 VanDerWaalsContact C-N 3.33Å; I344-D346 PolarHBondContact O-N 3.46Å; D346-V348 VanDerWaalsContact C-N 3.32Å; D346-V348 PolarHBondContact O-N 3.03Å; D346-A349 PolarHBondContact O-N 2.96Å; D346-L350 WeakPolarHBondContact O-CG 3.46Å; D346-L350 PolarHBondContact O-N 3.45Å; D346-R379 WeakPolarHBondContact OD1-CD 3.5Å; D346-R379 IonicContact OD1-CZ 2.83Å; D346-R379 IonicContact OD1-NE 2.73Å; D346-R379 PolarHBondContact OD1-NE 2.88Å; D346-R379 IonicContact OD1-NH2 3.84Å; D346-R379 IonicContact OD2-CZ 3.41Å; D346-R379 IonicContact OD2-NE 2.78Å; D346-R379 PolarHBondContact OD2-NE 3.12Å; D346-R379 IonicContact OD2-NH2 3.77Å; D346-R379 PolarHBondContact OD2-NH2 2.73Å; D346-Y429 HydrophobicContact CB-CE2 4.14Å; D346-Y429 PolarHBondContact OD1-OH 2.83Å; D346-T434 HydrophobicContact CB-CG2 3.78Å; D346-T434 PolarHBondContact OD1-OG1 2.68Å; D346-T434 PolarHBondContact OD2-OG1 2.87Å
347	A	98.9	Very high	98.8	Very high	2 Å²	2	22.6 Å²	22.6	2%	0.017	11%	0.106	C	C	.	.	H	α-helix	trans	-66.5	-31.7	175.9	0	0	0	0	0	112.8	H343 I344 L350 C351 V574 I605	H343-A347 VanDerWaalsContact O-CB 3.25Å; H343-A347 WeakPolarHBondContact O-CB 3.36Å; H343-A347 PolarHBondContact O-N 2.63Å; I344-A347 PolarHBondContact O-N 3.47Å; A347-L350 PolarHBondContact O-N 3.16Å; A347-C351 WeakPolarHBondContact O-CB 3.05Å; A347-C351 PolarHBondContact O-N 3.44Å; A347-C351 PolarHBondContact O-SG 3.38Å; A347-V574 HydrophobicContact CB-CG2 3.84Å; A347-I605 HydrophobicContact CB-CD1 3.66Å; A347-I605 HydrophobicContact CB-CG1 3.89Å; A347-I605 HydrophobicContact CB-CG2 4.27Å
348	V	98.9	Very high	98.7	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-60.9	-51.1	170.3	166.3	0	0	0	0	110.4	I344 K345 D346 L350 C351 E352 I605 E608 L609	I344-V348 WeakPolarHBondContact O-CG2 3.36Å; I344-V348 PolarHBondContact O-N 3.27Å; I344-V348 VanDerWaalsContact O-N 3.1Å; K345-V348 WeakPolarHBondContact O-CB 3.2Å; K345-V348 PolarHBondContact O-N 3.33Å; D346-V348 VanDerWaalsContact C-N 3.32Å; D346-V348 PolarHBondContact O-N 3.03Å; V348-L350 VanDerWaalsContact C-N 3.28Å; V348-L350 PolarHBondContact O-N 3.26Å; V348-C351 PolarHBondContact O-N 2.56Å; V348-E352 PolarHBondContact O-N 3.04Å; V348-I605 HydrophobicContact CG2-CG2 4.16Å; V348-E608 HydrophobicContact CG2-CB 4.12Å; V348-E608 HydrophobicContact CG2-CG 3.53Å; V348-L609 HydrophobicContact CB-CD2 4.29Å; V348-L609 HydrophobicContact CG1-CD2 3.76Å; V348-L609 HydrophobicContact CG2-CD2 4.21Å; V348-L609 HydrophobicContact CG2-CG 4.29Å
349	A	98.9	Very high	98.6	Very high	2 Å²	2	23 Å²	23	2%	0.017	11%	0.106	C	C	.	.	H	α-helix	trans	-59.4	-39.8	179.6	0	0	0	0	0	112	K345 D346 E352 L353 L378 R379 Q382	K345-A349 PolarHBondContact O-N 3.46Å; D346-A349 PolarHBondContact O-N 2.96Å; A349-E352 PolarHBondContact O-N 3.33Å; A349-L353 WeakPolarHBondContact O-CB 3.28Å; A349-L353 PolarHBondContact O-N 3.42Å; A349-L378 HydrophobicContact CB-CB 4.12Å; A349-R379 HydrophobicContact CB-CB 4.48Å; A349-R379 HydrophobicContact CB-CG 3.78Å; A349-Q382 HydrophobicContact CB-CG 4.19Å
350	L	98.9	Very high	98.5	Very high	4 Å²	4	25.5 Å²	25.5	2%	0.021	12%	0.118	C	C	.	.	H	α-helix	trans	-72.3	-34.9	177.5	-70.5	170.5	0	0	0	113.4	D346 A347 V348 E352 L353 F354 V436 V574	D346-L350 WeakPolarHBondContact O-CG 3.46Å; D346-L350 PolarHBondContact O-N 3.45Å; A347-L350 PolarHBondContact O-N 3.16Å; V348-L350 VanDerWaalsContact C-N 3.28Å; V348-L350 PolarHBondContact O-N 3.26Å; L350-E352 VanDerWaalsContact C-N 3.33Å; L350-L353 HydrophobicContact CD2-CD2 3.92Å; L350-L353 PolarHBondContact O-N 3.23Å; L350-F354 HydrophobicContact CB-CE2 4.29Å; L350-F354 WeakPolarHBondContact O-CD2 3.4Å; L350-F354 PolarHBondContact O-N 3.22Å; L350-V436 HydrophobicContact CD1-CB 4.46Å; L350-V436 HydrophobicContact CD1-CG1 3.38Å; L350-V436 HydrophobicContact CD1-CG2 4.25Å; L350-V574 HydrophobicContact CB-CG1 4.34Å; L350-V574 HydrophobicContact CB-CG2 4.12Å; L350-V574 HydrophobicContact CD1-CG2 3.78Å
351	C	98.9	Very high	98.4	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-61.2	-43.1	170.8	-69	0	0	0	0	111.2	A347 V348 L353 A355 L609 A617 W620	A347-C351 WeakPolarHBondContact O-CB 3.05Å; A347-C351 PolarHBondContact O-N 3.44Å; A347-C351 PolarHBondContact O-SG 3.38Å; V348-C351 PolarHBondContact O-N 2.56Å; C351-L353 VanDerWaalsContact C-N 3.35Å; C351-A355 VanDerWaalsContact O-CB 3.3Å; C351-A355 WeakPolarHBondContact O-CB 3.34Å; C351-A355 PolarHBondContact O-N 3.47Å; C351-A355 VanDerWaalsContact O-N 3.08Å; C351-L609 HydrophobicContact CB-CD1 4.1Å; C351-L609 HydrophobicContact CB-CD2 4.48Å; C351-A617 HydrophobicContact CB-CB 4.23Å; C351-W620 HydrophobicContact CB-CE3 4Å; C351-W620 HydrophobicContact CB-CZ3 3.95Å
352	E	98.9	Very high	98.1	Very high	32 Å²	32	23.1 Å²	23.1	15%	0.15	11%	0.114	C	C	.	.	H	α-helix	trans	-62.6	-41.8	173.5	-69.4	-168.1	-108.1	0	0	111.7	V348 A349 L350 W356 L378 K614 A617	V348-E352 PolarHBondContact O-N 3.04Å; A349-E352 PolarHBondContact O-N 3.33Å; L350-E352 VanDerWaalsContact C-N 3.33Å; E352-W356 VanDerWaalsContact O-CB 3.3Å; E352-W356 WeakPolarHBondContact O-CB 3.3Å; E352-W356 PolarHBondContact O-N 3.27Å; E352-L378 HydrophobicContact CB-CD1 4Å; E352-L378 HydrophobicContact CB-CD2 3.91Å; E352-K614 WeakPolarHBondContact OE1-CE 3.42Å; E352-K614 IonicContact OE1-NZ 3.49Å; E352-K614 PolarHBondContact OE1-NZ 3.3Å; E352-K614 WeakPolarHBondContact OE2-CD 3.35Å; E352-K614 WeakPolarHBondContact OE2-CE 3.48Å; E352-K614 IonicContact OE2-NZ 3.61Å; E352-K614 PolarHBondContact OE2-NZ 2.8Å; E352-A617 HydrophobicContact CB-CB 4.4Å; E352-A617 HydrophobicContact CG-CB 3.71Å
353	L	98.9	Very high	97.8	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-61.7	-51.2	179	177.4	66.1	0	0	0	111.5	A349 L350 C351 A355 W356 L357 K374 A375 L378 I423	A349-L353 WeakPolarHBondContact O-CB 3.28Å; A349-L353 PolarHBondContact O-N 3.42Å; L350-L353 HydrophobicContact CD2-CD2 3.92Å; L350-L353 PolarHBondContact O-N 3.23Å; C351-L353 VanDerWaalsContact C-N 3.35Å; L353-A355 PolarHBondContact O-N 3.19Å; L353-W356 HydrophobicContact CD1-CE3 4.25Å; L353-W356 WeakPolarHBondContact O-CB 3.36Å; L353-W356 PolarHBondContact O-N 3.45Å; L353-L357 HydrophobicContact CD1-CD1 4.17Å; L353-L357 HydrophobicContact CD1-CG 4.16Å; L353-L357 HydrophobicContact CD2-CD1 4.45Å; L353-L357 HydrophobicContact CG-CD1 3.9Å; L353-L357 HydrophobicContact CG-CG 4.3Å; L353-L357 WeakPolarHBondContact O-CB 2.92Å; L353-L357 WeakPolarHBondContact O-CG 3.18Å; L353-L357 PolarHBondContact O-N 3.37Å; L353-K374 HydrophobicContact CD1-CB 4.05Å; L353-K374 HydrophobicContact CD1-CG 3.94Å; L353-A375 HydrophobicContact CD1-CB 4.33Å; L353-A375 HydrophobicContact CD2-CB 3.62Å; L353-L378 VanDerWaalsContact CA-CD1 3.46Å; L353-L378 HydrophobicContact CB-CD1 3.71Å; L353-L378 HydrophobicContact CD1-CD1 4.23Å; L353-I423 HydrophobicContact CD2-CD1 3.62Å
354	F	98.8	Very high	97.5	Very high	7 Å²	7	29.5 Å²	29.5	3%	0.031	16%	0.159	C	C	.	.	H	α-helix	trans	-68.9	-34.8	-177.6	-70.1	-55.8	0	0	0	112.5	L350 W356 L357 E358 I423 R438 V440 V574 W620	L350-F354 HydrophobicContact CB-CE2 4.29Å; L350-F354 WeakPolarHBondContact O-CD2 3.4Å; L350-F354 PolarHBondContact O-N 3.22Å; F354-W356 VanDerWaalsContact C-N 3.33Å; F354-L357 HydrophobicContact CD1-CD1 3.93Å; F354-L357 HydrophobicContact CE1-CD1 4.25Å; F354-L357 PolarHBondContact O-N 3.08Å; F354-E358 WeakPolarHBondContact O-CG 3.31Å; F354-E358 PolarHBondContact O-N 3.39Å; F354-E358 VanDerWaalsContact O-N 3.09Å; F354-I423 HydrophobicContact CE1-CG2 3.89Å; F354-I423 HydrophobicContact CZ-CG2 3.71Å; F354-R438 HydrophobicContact CE2-CB 4.25Å; F354-R438 HydrophobicContact CE2-CG 4.16Å; F354-R438 HydrophobicContact CZ-CB 3.71Å; F354-R438 HydrophobicContact CZ-CG 4.13Å; F354-V440 HydrophobicContact CE1-CG1 4.32Å; F354-V440 HydrophobicContact CE1-CG2 4.46Å; F354-V574 HydrophobicContact CD2-CG1 4.29Å; F354-V574 HydrophobicContact CE2-CG1 3.87Å; F354-W620 HydrophobicContact CB-CD2 4.42Å; F354-W620 HydrophobicContact CB-CH2 3.71Å; F354-W620 HydrophobicContact CB-CZ2 3.19Å; F354-W620 HydrophobicContact CB-CZ3 4.48Å; F354-W620 AromaticContact CD2-CH2 3.91Å; F354-W620 HydrophobicContact CD2-CH2 3.91Å; F354-W620 HydrophobicContact CD2-CZ2 4.14Å; F354-W620 HydrophobicContact CG-CH2 4.18Å; F354-W620 AromaticContact CG-CZ2 3.93Å; F354-W620 HydrophobicContact CG-CZ2 3.93Å
355	A	98.6	Very high	97.2	Very high	11 Å²	11	34.5 Å²	34.5	9%	0.091	19%	0.186	C	C	.	.	H	α-helix	trans	-60.9	-42.9	170.5	0	0	0	0	0	111.8	C351 L353 W620	C351-A355 VanDerWaalsContact O-CB 3.3Å; C351-A355 WeakPolarHBondContact O-CB 3.34Å; C351-A355 PolarHBondContact O-N 3.47Å; C351-A355 VanDerWaalsContact O-N 3.08Å; L353-A355 PolarHBondContact O-N 3.19Å; A355-W620 HydrophobicContact CB-CB 3.69Å; A355-W620 HydrophobicContact CB-CD2 4.39Å; A355-W620 HydrophobicContact CB-CG 3.71Å
356	W	98.6	Very high	97.2	Very high	68 Å²	68	34 Å²	34	26%	0.258	18%	0.184	S	C	.	.	H	α-helix	trans	-66.7	-44.4	176.4	175.8	85.4	0	0	0	112.5	E352 L353 F354 E358 K359 E360 V366 K374	E352-W356 VanDerWaalsContact O-CB 3.3Å; E352-W356 WeakPolarHBondContact O-CB 3.3Å; E352-W356 PolarHBondContact O-N 3.27Å; L353-W356 HydrophobicContact CD1-CE3 4.25Å; L353-W356 WeakPolarHBondContact O-CB 3.36Å; L353-W356 PolarHBondContact O-N 3.45Å; F354-W356 VanDerWaalsContact C-N 3.33Å; W356-E358 PolarHBondContact O-N 3.19Å; W356-K359 WeakPolarHBondContact O-CB 3.41Å; W356-K359 PolarHBondContact O-N 2.84Å; W356-K359 VanDerWaalsContact O-N 3.15Å; W356-E360 HydrophobicContact CD2-CB 4.48Å; W356-E360 HydrophobicContact CD2-CG 4.08Å; W356-E360 HydrophobicContact CG-CG 4.27Å; W356-E360 HydrophobicContact CZ2-CB 4.11Å; W356-E360 HydrophobicContact CZ2-CG 3.89Å; W356-E360 PolarHBondContact O-N 3.41Å; W356-V366 HydrophobicContact CH2-CG1 3.95Å; W356-V366 HydrophobicContact CH2-CG2 3.87Å; W356-V366 HydrophobicContact CZ2-CG2 4.47Å; W356-V366 HydrophobicContact CZ3-CG1 3.97Å; W356-V366 HydrophobicContact CZ3-CG2 4.31Å; W356-K374 HydrophobicContact CD2-CG 3.86Å; W356-K374 HydrophobicContact CE3-CB 4.34Å; W356-K374 HydrophobicContact CE3-CG 3.69Å; W356-K374 HydrophobicContact CH2-CB 4.23Å; W356-K374 HydrophobicContact CH2-CG 4.14Å; W356-K374 HydrophobicContact CZ2-CG 4.29Å; W356-K374 HydrophobicContact CZ3-CB 3.99Å; W356-K374 HydrophobicContact CZ3-CG 3.82Å
357	L	98.4	Very high	97.2	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-60	-45.7	179.4	-75.5	171.7	0	0	0	111.9	L353 F354 K359 E360 I361 V366 A371 L415 Y421 F442	L353-L357 HydrophobicContact CD1-CD1 4.17Å; L353-L357 HydrophobicContact CD1-CG 4.16Å; L353-L357 HydrophobicContact CD2-CD1 4.45Å; L353-L357 HydrophobicContact CG-CD1 3.9Å; L353-L357 HydrophobicContact CG-CG 4.3Å; L353-L357 WeakPolarHBondContact O-CB 2.92Å; L353-L357 WeakPolarHBondContact O-CG 3.18Å; L353-L357 PolarHBondContact O-N 3.37Å; F354-L357 HydrophobicContact CD1-CD1 3.93Å; F354-L357 HydrophobicContact CE1-CD1 4.25Å; F354-L357 PolarHBondContact O-N 3.08Å; L357-K359 PolarHBondContact O-N 3Å; L357-E360 PolarHBondContact O-N 3.29Å; L357-I361 HydrophobicContact CB-CD1 3.99Å; L357-I361 HydrophobicContact CD2-CD1 4.13Å; L357-I361 HydrophobicContact CD2-CG1 4.42Å; L357-I361 WeakPolarHBondContact O-CB 3.42Å; L357-I361 WeakPolarHBondContact O-CD1 3.16Å; L357-I361 WeakPolarHBondContact O-CG1 3.27Å; L357-I361 PolarHBondContact O-N 2.97Å; L357-V366 HydrophobicContact CD2-CG1 3.86Å; L357-A371 HydrophobicContact CD2-CB 4.07Å; L357-L415 HydrophobicContact CD2-CD2 3.93Å; L357-Y421 HydrophobicContact CD1-CD1 4.4Å; L357-Y421 HydrophobicContact CD1-CE1 3.78Å; L357-F442 HydrophobicContact CB-CE1 3.88Å; L357-F442 HydrophobicContact CB-CZ 3.79Å; L357-F442 HydrophobicContact CD1-CZ 4.22Å
358	E	96.4	Very high	97.1	Very high	55 Å²	55	35.2 Å²	35.2	26%	0.257	19%	0.191	S	C	.	.	H	α-helix	trans	-58.4	-32.1	177.7	-78.1	-179	-170.5	0	0	113.2	F354 W356 P362 F442 W620 R623	F354-E358 WeakPolarHBondContact O-CG 3.31Å; F354-E358 PolarHBondContact O-N 3.39Å; F354-E358 VanDerWaalsContact O-N 3.09Å; W356-E358 PolarHBondContact O-N 3.19Å; E358-P362 WeakPolarHBondContact O-CD 3.49Å; E358-F442 HydrophobicContact CG-CD1 3.95Å; E358-F442 HydrophobicContact CG-CE1 3.88Å; E358-W620 VanDerWaalsContact CD-NE1 3.26Å; E358-W620 PolarHBondContact OE1-NE1 2.89Å; E358-R623 VanDerWaalsContact CD-NH2 3.35Å; E358-R623 IonicContact OE1-NH2 3.41Å; E358-R623 PolarHBondContact OE1-NH2 3.11Å; E358-R623 IonicContact OE2-CZ 3.57Å; E358-R623 IonicContact OE2-NH1 2.78Å; E358-R623 IonicContact OE2-NH2 3.52Å; E358-R623 PolarHBondContact OE2-NH2 2.84Å
359	K	96.4	Very high	97.1	Very high	110 Å²	110	37.1 Å²	37.1	48%	0.478	20%	0.201	S	C	.	.	H	α-helix	trans	-81.9	-40.5	-180	-177.7	-178.6	-178.8	173.5	0	112.8	W356 L357 E616	W356-K359 WeakPolarHBondContact O-CB 3.41Å; W356-K359 PolarHBondContact O-N 2.84Å; W356-K359 VanDerWaalsContact O-N 3.15Å; L357-K359 PolarHBondContact O-N 3Å; K359-E616 IonicContact NZ-OE1 3.81Å; K359-E616 PolarHBondContact NZ-OE1 3.19Å; K359-E616 VanDerWaalsContact NZ-OE1 3.07Å
360	E	97.4	Very high	97.1	Very high	52 Å²	52	38.7 Å²	38.7	24%	0.243	21%	0.212	C	C	.	.	H	α-helix	trans	-92.7	-26.6	-170.7	-65.9	-51.7	138.9	0	0	114.6	W356 L357 N363 V366	W356-E360 HydrophobicContact CD2-CB 4.48Å; W356-E360 HydrophobicContact CD2-CG 4.08Å; W356-E360 HydrophobicContact CG-CG 4.27Å; W356-E360 HydrophobicContact CZ2-CB 4.11Å; W356-E360 HydrophobicContact CZ2-CG 3.89Å; W356-E360 PolarHBondContact O-N 3.41Å; L357-E360 PolarHBondContact O-N 3.29Å; E360-N363 VanDerWaalsContact O-CB 3.29Å; E360-N363 WeakPolarHBondContact O-CB 3.26Å; E360-N363 PolarHBondContact O-N 3.38Å; E360-N363 PolarHBondContact OE2-ND2 3.48Å; E360-V366 HydrophobicContact CB-CG2 3.62Å
361	I	95.2	Very high	97.1	Very high	5 Å²	5	38.5 Å²	38.5	3%	0.026	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-58.6	-41.8	178.4	-71.7	169.2	0	0	0	112.5	L357 N363 G364 V366 L415 V417 F442	L357-I361 HydrophobicContact CB-CD1 3.99Å; L357-I361 HydrophobicContact CD2-CD1 4.13Å; L357-I361 HydrophobicContact CD2-CG1 4.42Å; L357-I361 WeakPolarHBondContact O-CB 3.42Å; L357-I361 WeakPolarHBondContact O-CD1 3.16Å; L357-I361 WeakPolarHBondContact O-CG1 3.27Å; L357-I361 PolarHBondContact O-N 2.97Å; I361-N363 PolarHBondContact O-N 3.07Å; I361-N363 VanDerWaalsContact O-N 3.1Å; I361-G364 PolarHBondContact O-N 3.18Å; I361-V366 HydrophobicContact CG1-CB 4.12Å; I361-V366 HydrophobicContact CG1-CG1 4.46Å; I361-V366 HydrophobicContact CG1-CG2 4.15Å; I361-L415 HydrophobicContact CD1-CB 4.08Å; I361-L415 HydrophobicContact CD1-CD2 3.66Å; I361-L415 HydrophobicContact CD1-CG 4.5Å; I361-L415 HydrophobicContact CG1-CB 3.99Å; I361-L415 HydrophobicContact CG1-CD2 4.13Å; I361-L415 HydrophobicContact CG2-CB 4.49Å; I361-V417 HydrophobicContact CG2-CG1 3.97Å; I361-F442 HydrophobicContact CD1-CD1 3.84Å; I361-F442 HydrophobicContact CD1-CD2 3.3Å; I361-F442 HydrophobicContact CD1-CE1 3.71Å; I361-F442 HydrophobicContact CD1-CE2 3.14Å; I361-F442 HydrophobicContact CD1-CG 3.65Å; I361-F442 HydrophobicContact CD1-CZ 3.36Å; I361-F442 HydrophobicContact CG2-CB 4.48Å
362	P	93	Very high	97	Very high	88 Å²	88	39 Å²	39	57%	0.571	22%	0.215	S	C	*	.	G	3₁₀ helix	trans	-58.7	-21.6	174.1	-26.2	36.1	0	0	0	114.6	E358 G364	E358-P362 WeakPolarHBondContact O-CD 3.49Å; P362-G364 VanDerWaalsContact C-N 3.29Å
363	N	93.8	Very high	97	Very high	95 Å²	95	41.9 Å²	41.9	51%	0.508	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-79.5	-10.2	177.2	-58.6	-32.9	0	0	0	112.9	E360 I361 N365	E360-N363 VanDerWaalsContact O-CB 3.29Å; E360-N363 WeakPolarHBondContact O-CB 3.26Å; E360-N363 PolarHBondContact O-N 3.38Å; E360-N363 PolarHBondContact OE2-ND2 3.48Å; I361-N363 PolarHBondContact O-N 3.07Å; I361-N363 VanDerWaalsContact O-N 3.1Å; N363-N365 PolarHBondContact O-N 3.16Å
364	G	91.8	Very high	97	Very high	43 Å²	43	43.7 Å²	43.7	44%	0.443	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.3	11	171.6	0	0	0	0	0	116.3	I361 P362	I361-G364 PolarHBondContact O-N 3.18Å; P362-G364 VanDerWaalsContact C-N 3.29Å
365	N	93.5	Very high	97	Very high	134 Å²	134	43.4 Å²	43.4	72%	0.717	24%	0.238	S	C	*	.			trans	-108.5	-2	-174.3	-62.6	-38.3	0	0	0	114.3	N363	N363-N365 PolarHBondContact O-N 3.16Å
366	V	98.1	Very high	97	Very high	4 Å²	4	46.7 Å²	46.7	2%	0.024	25%	0.252	C	S	.	.			trans	-87.8	126.7	-179.5	-170.1	0	0	0	0	109.3	W356 L357 E360 I361 A371 T414 L415	W356-V366 HydrophobicContact CH2-CG1 3.95Å; W356-V366 HydrophobicContact CH2-CG2 3.87Å; W356-V366 HydrophobicContact CZ2-CG2 4.47Å; W356-V366 HydrophobicContact CZ3-CG1 3.97Å; W356-V366 HydrophobicContact CZ3-CG2 4.31Å; L357-V366 HydrophobicContact CD2-CG1 3.86Å; E360-V366 HydrophobicContact CB-CG2 3.62Å; I361-V366 HydrophobicContact CG1-CB 4.12Å; I361-V366 HydrophobicContact CG1-CG1 4.46Å; I361-V366 HydrophobicContact CG1-CG2 4.15Å; V366-A371 HydrophobicContact CG1-CB 4.08Å; V366-T414 CarbonylContact O-C 3.56Å; V366-T414 WeakPolarHBondContact O-CA 3.4Å; V366-T414 WeakPolarHBondContact O-CG2 3.48Å; V366-L415 HydrophobicContact CB-CB 4.41Å; V366-L415 HydrophobicContact CG1-CB 4.48Å; V366-L415 HydrophobicContact CG1-CD1 4.19Å; V366-L415 HydrophobicContact CG1-CD2 3.94Å; V366-L415 HydrophobicContact CG1-CG 4.43Å; V366-L415 PolarHBondContact O-N 3.01Å
367	T	98.4	Very high	97.1	Very high	30 Å²	30	47.6 Å²	47.6	18%	0.184	26%	0.259	C	S	.	.	B	Isolated β-bridge	trans	-116.8	164.2	175.2	66.1	0	0	0	0	111.2	I369 S370 A371 N412 R413 L415	T367-I369 VanDerWaalsContact C-N 3.3Å; T367-I369 PolarHBondContact O-N 3.3Å; T367-S370 PolarHBondContact N-OG 2.78Å; T367-S370 PolarHBondContact O-N 3.3Å; T367-S370 VanDerWaalsContact O-N 3.14Å; T367-S370 PolarHBondContact O-OG 2.85Å; T367-S370 PolarHBondContact OG1-N 3.37Å; T367-S370 PolarHBondContact OG1-OG 3.45Å; T367-S370 VanDerWaalsContact OG1-OG 3.14Å; T367-A371 WeakPolarHBondContact O-CB 3.38Å; T367-A371 PolarHBondContact O-N 3.3Å; T367-N412 VanDerWaalsContact CB-ND2 3.34Å; T367-N412 WeakPolarHBondContact CB-ND2 3.48Å; T367-N412 VanDerWaalsContact CB-OD1 3.3Å; T367-N412 WeakPolarHBondContact CB-OD1 3.26Å; T367-N412 PolarHBondContact OG1-ND2 3.39Å; T367-N412 VanDerWaalsContact OG1-ND2 3.09Å; T367-N412 PolarHBondContact OG1-OD1 2.79Å; T367-R413 CarbonylContact C-O 3.51Å; T367-R413 VanDerWaalsContact CA-O 3.22Å; T367-R413 WeakPolarHBondContact CA-O 2.92Å; T367-R413 WeakPolarHBondContact CB-O 3.39Å; T367-L415 WeakPolarHBondContact O-CD1 3.35Å
368	E	98.4	Very high	97.1	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-50.6	-49.8	176.6	-69.4	172.1	154.3	0	0	111.5	A371 A372 S394 S395 V396 N399 Y405 P407 N412 R413 L415	E368-A371 PolarHBondContact O-N 3.33Å; E368-A372 PolarHBondContact O-N 2.77Å; E368-S394 WeakPolarHBondContact CA-OG 3.47Å; E368-S394 WeakPolarHBondContact CB-O 3.26Å; E368-S394 WeakPolarHBondContact CG-O 3.41Å; E368-S394 VanDerWaalsContact O-CB 3.29Å; E368-S394 WeakPolarHBondContact O-CB 3.45Å; E368-S394 PolarHBondContact O-OG 3.43Å; E368-S395 WeakPolarHBondContact OE1-CA 3.46Å; E368-V396 HydrophobicContact CG-CB 4.38Å; E368-V396 HydrophobicContact CG-CG2 3.84Å; E368-V396 PolarHBondContact OE1-N 3.46Å; E368-N399 WeakPolarHBondContact OE1-CB 3.28Å; E368-N399 PolarHBondContact OE1-ND2 3.05Å; E368-N399 PolarHBondContact OE2-ND2 3.25Å; E368-Y405 WeakPolarHBondContact OE2-CE1 3.49Å; E368-Y405 PolarHBondContact OE2-OH 3.17Å; E368-P407 HydrophobicContact CB-CB 3.84Å; E368-N412 WeakPolarHBondContact CB-OD1 3.41Å; E368-N412 PolarHBondContact N-OD1 3.36Å; E368-N412 VanDerWaalsContact N-OD1 3.15Å; E368-R413 HydrophobicContact CG-CB 4.28Å; E368-R413 PolarHBondContact N-O 2.91Å; E368-R413 PolarHBondContact OE2-N 3.06Å; E368-R413 VanDerWaalsContact OE2-N 3.1Å; E368-L415 HydrophobicContact CG-CD1 4.46Å; E368-L415 VanDerWaalsContact N-CD1 3.34Å
369	I	98.3	Very high	97.2	Very high	40 Å²	40	45.4 Å²	45.4	21%	0.205	25%	0.249	C	C	.	.	H	α-helix	trans	-61.2	-50.3	177.2	-65.8	177.5	0	0	0	110.8	T367 A371 A372 D373 P407 P409 N412	T367-I369 VanDerWaalsContact C-N 3.3Å; T367-I369 PolarHBondContact O-N 3.3Å; I369-A371 PolarHBondContact O-N 2.93Å; I369-A372 WeakPolarHBondContact O-CB 3.34Å; I369-A372 PolarHBondContact O-N 3.49Å; I369-A372 VanDerWaalsContact O-N 3.13Å; I369-D373 VanDerWaalsContact O-CG 3.27Å; I369-D373 PolarHBondContact O-N 3.18Å; I369-P407 HydrophobicContact CG1-CB 3.84Å; I369-P407 HydrophobicContact CG1-CG 4.41Å; I369-P409 HydrophobicContact CD1-CG 4.22Å; I369-N412 HydrophobicContact CD1-CB 3.83Å; I369-N412 HydrophobicContact CG1-CB 4.13Å; I369-N412 PolarHBondContact N-OD1 2.96Å
370	S	98.4	Very high	97.3	Very high	34 Å²	34	43.2 Å²	43.2	24%	0.238	25%	0.247	C	C	.	.	H	α-helix	trans	-65.2	-28	-177	65.3	0	0	0	0	113.4	T367 K374	T367-S370 PolarHBondContact N-OG 2.78Å; T367-S370 PolarHBondContact O-N 3.3Å; T367-S370 VanDerWaalsContact O-N 3.14Å; T367-S370 PolarHBondContact O-OG 2.85Å; T367-S370 PolarHBondContact OG1-N 3.37Å; T367-S370 PolarHBondContact OG1-OG 3.45Å; T367-S370 VanDerWaalsContact OG1-OG 3.14Å; S370-K374 VanDerWaalsContact O-CB 3.25Å; S370-K374 WeakPolarHBondContact O-CB 3.2Å; S370-K374 PolarHBondContact O-N 3.19Å
371	A	98.5	Very high	97.4	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-74.4	-39.1	175.3	0	0	0	0	0	111.2	L357 V366 T367 E368 I369 K374 A375 L415 Y421	L357-A371 HydrophobicContact CD2-CB 4.07Å; V366-A371 HydrophobicContact CG1-CB 4.08Å; T367-A371 WeakPolarHBondContact O-CB 3.38Å; T367-A371 PolarHBondContact O-N 3.3Å; E368-A371 PolarHBondContact O-N 3.33Å; I369-A371 PolarHBondContact O-N 2.93Å; A371-K374 PolarHBondContact O-N 3.14Å; A371-A375 WeakPolarHBondContact O-CB 3.48Å; A371-A375 PolarHBondContact O-N 2.8Å; A371-L415 HydrophobicContact CB-CD1 4.44Å; A371-L415 HydrophobicContact CB-CD2 4.27Å; A371-Y421 VanDerWaalsContact CB-OH 3.31Å; A371-Y421 WeakPolarHBondContact CB-OH 3.29Å
372	A	98.5	Very high	97.5	Very high	10 Å²	10	45.5 Å²	45.5	8%	0.083	26%	0.258	C	S	.	.	H	α-helix	trans	-62.4	-48.3	170.9	0	0	0	0	0	111.7	E368 I369 K374 A375 E376 T392	E368-A372 PolarHBondContact O-N 2.77Å; I369-A372 WeakPolarHBondContact O-CB 3.34Å; I369-A372 PolarHBondContact O-N 3.49Å; I369-A372 VanDerWaalsContact O-N 3.13Å; A372-K374 VanDerWaalsContact C-N 3.28Å; A372-K374 PolarHBondContact O-N 2.79Å; A372-A375 WeakPolarHBondContact O-CB 3.4Å; A372-A375 PolarHBondContact O-N 2.81Å; A372-A375 VanDerWaalsContact O-N 3.1Å; A372-E376 PolarHBondContact O-N 2.75Å; A372-T392 HydrophobicContact CB-CG2 3.61Å
373	D	98.6	Very high	97.8	Very high	93 Å²	93	48.4 Å²	48.4	50%	0.497	26%	0.261	S	S	.	.	H	α-helix	trans	-58.8	-41.7	176.7	-67.8	-14.3	0	0	0	110.9	I369 A375 E376 E377	I369-D373 VanDerWaalsContact O-CG 3.27Å; I369-D373 PolarHBondContact O-N 3.18Å; D373-A375 VanDerWaalsContact C-N 3.35Å; D373-A375 PolarHBondContact O-N 3.44Å; D373-E376 PolarHBondContact O-N 3.38Å; D373-E377 WeakPolarHBondContact O-CB 3.2Å; D373-E377 PolarHBondContact O-N 3.32Å
374	K	98.8	Very high	98	Very high	38 Å²	38	45.8 Å²	45.8	17%	0.165	25%	0.247	C	C	.	.	H	α-helix	trans	-66.5	-36.6	177.1	-169.5	53.7	163.6	-178.4	0	112.4	L353 W356 S370 A371 A372 E377 L378	L353-K374 HydrophobicContact CD1-CB 4.05Å; L353-K374 HydrophobicContact CD1-CG 3.94Å; W356-K374 HydrophobicContact CD2-CG 3.86Å; W356-K374 HydrophobicContact CE3-CB 4.34Å; W356-K374 HydrophobicContact CE3-CG 3.69Å; W356-K374 HydrophobicContact CH2-CB 4.23Å; W356-K374 HydrophobicContact CH2-CG 4.14Å; W356-K374 HydrophobicContact CZ2-CG 4.29Å; W356-K374 HydrophobicContact CZ3-CB 3.99Å; W356-K374 HydrophobicContact CZ3-CG 3.82Å; S370-K374 VanDerWaalsContact O-CB 3.25Å; S370-K374 WeakPolarHBondContact O-CB 3.2Å; S370-K374 PolarHBondContact O-N 3.19Å; A371-K374 PolarHBondContact O-N 3.14Å; A372-K374 VanDerWaalsContact C-N 3.28Å; A372-K374 PolarHBondContact O-N 2.79Å; K374-E377 HydrophobicContact CD-CB 4.41Å; K374-E377 WeakPolarHBondContact CD-OE2 3.33Å; K374-E377 IonicContact NZ-OE1 2.73Å; K374-E377 PolarHBondContact NZ-OE1 3.42Å; K374-E377 IonicContact NZ-OE2 3.5Å; K374-E377 PolarHBondContact NZ-OE2 2.78Å; K374-E377 PolarHBondContact O-N 2.83Å; K374-L378 HydrophobicContact CD-CD1 4.42Å; K374-L378 HydrophobicContact CD-CG 4.38Å; K374-L378 HydrophobicContact CG-CD1 4.15Å; K374-L378 VanDerWaalsContact O-CG 3.3Å; K374-L378 WeakPolarHBondContact O-CG 3.38Å; K374-L378 PolarHBondContact O-N 2.89Å
375	A	98.8	Very high	98.3	Very high	2 Å²	2	46 Å²	46	2%	0.017	24%	0.236	C	C	.	.	H	α-helix	trans	-63.4	-43.7	175.1	0	0	0	0	0	111.3	L353 A371 A372 D373 R379 I423	L353-A375 HydrophobicContact CD1-CB 4.33Å; L353-A375 HydrophobicContact CD2-CB 3.62Å; A371-A375 WeakPolarHBondContact O-CB 3.48Å; A371-A375 PolarHBondContact O-N 2.8Å; A372-A375 WeakPolarHBondContact O-CB 3.4Å; A372-A375 PolarHBondContact O-N 2.81Å; A372-A375 VanDerWaalsContact O-N 3.1Å; D373-A375 VanDerWaalsContact C-N 3.35Å; D373-A375 PolarHBondContact O-N 3.44Å; A375-R379 WeakPolarHBondContact O-CG 3.33Å; A375-R379 PolarHBondContact O-N 3.32Å; A375-R379 VanDerWaalsContact O-N 3.11Å; A375-I423 HydrophobicContact CB-CD1 3.96Å
376	E	98.8	Very high	98.6	Very high	80 Å²	80	42.6 Å²	42.6	37%	0.374	22%	0.22	S	C	.	.	H	α-helix	trans	-65.3	-45	174.2	-176.3	172.5	-178.2	0	0	111.7	A372 D373 L378 R379 S380 F385 L388	A372-E376 PolarHBondContact O-N 2.75Å; D373-E376 PolarHBondContact O-N 3.38Å; E376-L378 VanDerWaalsContact C-N 3.32Å; E376-L378 PolarHBondContact O-N 2.8Å; E376-R379 PolarHBondContact O-N 3.36Å; E376-S380 WeakPolarHBondContact O-CB 3.2Å; E376-S380 PolarHBondContact O-N 2.83Å; E376-F385 HydrophobicContact CG-CZ 4.43Å; E376-L388 HydrophobicContact CB-CD2 4.13Å; E376-L388 HydrophobicContact CG-CD1 4.41Å; E376-L388 HydrophobicContact CG-CD2 3.98Å; E376-L388 HydrophobicContact CG-CG 4.21Å
377	E	98.9	Very high	98.6	Very high	87 Å²	87	43.2 Å²	43.2	41%	0.407	23%	0.228	S	C	.	.	H	α-helix	trans	-53.7	-49.1	177	-172.9	-154.2	128.3	0	0	110.8	D373 K374 S380 Q381	D373-E377 WeakPolarHBondContact O-CB 3.2Å; D373-E377 PolarHBondContact O-N 3.32Å; K374-E377 HydrophobicContact CD-CB 4.41Å; K374-E377 WeakPolarHBondContact CD-OE2 3.33Å; K374-E377 IonicContact NZ-OE1 2.73Å; K374-E377 PolarHBondContact NZ-OE1 3.42Å; K374-E377 IonicContact NZ-OE2 3.5Å; K374-E377 PolarHBondContact NZ-OE2 2.78Å; K374-E377 PolarHBondContact O-N 2.83Å; E377-S380 PolarHBondContact O-N 2.88Å; E377-S380 PolarHBondContact O-OG 3.4Å; E377-Q381 WeakPolarHBondContact O-CG 3.41Å; E377-Q381 PolarHBondContact O-N 3.37Å
378	L	98.9	Very high	98.6	Very high	8 Å²	8	42.7 Å²	42.7	4%	0.042	22%	0.224	C	C	.	.	H	α-helix	trans	-67.9	-37.7	-179.1	-69.9	167.8	0	0	0	112.5	A349 E352 L353 K374 E376 Q381	A349-L378 HydrophobicContact CB-CB 4.12Å; E352-L378 HydrophobicContact CB-CD1 4Å; E352-L378 HydrophobicContact CB-CD2 3.91Å; L353-L378 VanDerWaalsContact CA-CD1 3.46Å; L353-L378 HydrophobicContact CB-CD1 3.71Å; L353-L378 HydrophobicContact CD1-CD1 4.23Å; K374-L378 HydrophobicContact CD-CD1 4.42Å; K374-L378 HydrophobicContact CD-CG 4.38Å; K374-L378 HydrophobicContact CG-CD1 4.15Å; K374-L378 VanDerWaalsContact O-CG 3.3Å; K374-L378 WeakPolarHBondContact O-CG 3.38Å; K374-L378 PolarHBondContact O-N 2.89Å; E376-L378 VanDerWaalsContact C-N 3.32Å; E376-L378 PolarHBondContact O-N 2.8Å; L378-Q381 WeakPolarHBondContact O-CB 3.07Å; L378-Q381 PolarHBondContact O-N 2.87Å
379	R	98.8	Very high	98.6	Very high	1 Å²	1	42.7 Å²	42.7	0%	0.004	22%	0.224	C	C	.	.	H	α-helix	trans	-65.8	-37.9	173.6	-75.8	177.5	165.7	115.5	-4.8	112.4	D346 A349 A375 E376 Q381 Q382 F385 S425	D346-R379 WeakPolarHBondContact OD1-CD 3.5Å; D346-R379 IonicContact OD1-CZ 2.83Å; D346-R379 IonicContact OD1-NE 2.73Å; D346-R379 PolarHBondContact OD1-NE 2.88Å; D346-R379 IonicContact OD1-NH2 3.84Å; D346-R379 IonicContact OD2-CZ 3.41Å; D346-R379 IonicContact OD2-NE 2.78Å; D346-R379 PolarHBondContact OD2-NE 3.12Å; D346-R379 IonicContact OD2-NH2 3.77Å; D346-R379 PolarHBondContact OD2-NH2 2.73Å; A349-R379 HydrophobicContact CB-CB 4.48Å; A349-R379 HydrophobicContact CB-CG 3.78Å; A375-R379 WeakPolarHBondContact O-CG 3.33Å; A375-R379 PolarHBondContact O-N 3.32Å; A375-R379 VanDerWaalsContact O-N 3.11Å; E376-R379 PolarHBondContact O-N 3.36Å; R379-Q381 PolarHBondContact O-N 3.08Å; R379-Q381 VanDerWaalsContact O-N 3.14Å; R379-Q382 WeakPolarHBondContact O-CB 3.19Å; R379-Q382 PolarHBondContact O-N 3.27Å; R379-F385 HydrophobicContact CB-CD2 3.94Å; R379-F385 HydrophobicContact CB-CE2 3.71Å; R379-S425 PolarHBondContact NH1-OG 3.15Å; R379-S425 PolarHBondContact NH2-O 2.99Å; R379-S425 PolarHBondContact NH2-OG 2.87Å
380	S	98.8	Very high	98.5	Very high	63 Å²	63	41.3 Å²	41.3	44%	0.441	22%	0.216	S	C	.	.	H	α-helix	trans	-63.1	-20.4	179	79.8	0	0	0	0	113.6	E376 E377 Q382	E376-S380 WeakPolarHBondContact O-CB 3.2Å; E376-S380 PolarHBondContact O-N 2.83Å; E377-S380 PolarHBondContact O-N 2.88Å; E377-S380 PolarHBondContact O-OG 3.4Å; S380-Q382 VanDerWaalsContact C-N 3.32Å
381	Q	98.6	Very high	98.4	Very high	96 Å²	96	41.2 Å²	41.2	45%	0.449	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-17.4	174.6	-61.6	171.7	27.1	0	0	112.9	E377 L378 R379	E377-Q381 WeakPolarHBondContact O-CG 3.41Å; E377-Q381 PolarHBondContact O-N 3.37Å; L378-Q381 WeakPolarHBondContact O-CB 3.07Å; L378-Q381 PolarHBondContact O-N 2.87Å; R379-Q381 PolarHBondContact O-N 3.08Å; R379-Q381 VanDerWaalsContact O-N 3.14Å
382	Q	98.8	Very high	98.4	Very high	9 Å²	9	41.8 Å²	41.8	4%	0.042	22%	0.218	C	C	.	.	S	Bend	trans	-79.1	144.2	-178.2	-63.5	-60	-53.2	0	0	111.1	K345 A349 R379 S380 D384 F385 Y429	K345-Q382 HydrophobicContact CB-CB 4.08Å; K345-Q382 HydrophobicContact CB-CG 4.26Å; K345-Q382 WeakPolarHBondContact O-CG 3.24Å; A349-Q382 HydrophobicContact CB-CG 4.19Å; R379-Q382 WeakPolarHBondContact O-CB 3.19Å; R379-Q382 PolarHBondContact O-N 3.27Å; S380-Q382 VanDerWaalsContact C-N 3.32Å; Q382-D384 PolarHBondContact O-N 3.05Å; Q382-F385 WeakPolarHBondContact O-CB 3.41Å; Q382-F385 PolarHBondContact O-N 3.29Å; Q382-Y429 HydrophobicContact CB-CE1 3.86Å
383	K	98.2	Very high	98.3	Very high	149 Å²	149	42.1 Å²	42.1	65%	0.648	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.1	138.3	-177.3	-165.3	-160.9	168.2	-163.5	0	111.2	K345 F385	K345-K383 HydrophobicContact CD-CB 4.28Å; K345-K383 VanDerWaalsContact CD-O 3.23Å; K345-K383 WeakPolarHBondContact CD-O 3.24Å; K345-K383 WeakPolarHBondContact CE-O 3.48Å; K345-K383 PolarHBondContact NZ-O 3.07Å; K383-F385 PolarHBondContact O-N 2.77Å
384	D	98	Very high	98.3	Very high	40 Å²	40	37.7 Å²	37.7	21%	0.214	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.8	18.4	175	-49	-49.4	0	0	0	114.4	K345 Q382 Y429 I430	K345-D384 IonicContact NZ-OD2 3.66Å; Q382-D384 PolarHBondContact O-N 3.05Å; D384-Y429 CarbonylContact O-C 2.97Å; D384-Y429 WeakPolarHBondContact O-CA 3.33Å; D384-I430 HydrophobicContact CB-CB 4.04Å; D384-I430 HydrophobicContact CB-CD1 4.03Å; D384-I430 HydrophobicContact CB-CG1 3.99Å; D384-I430 PolarHBondContact O-N 2.65Å
385	F	98.8	Very high	98.3	Very high	47 Å²	47	35.9 Å²	35.9	21%	0.206	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60	137.7	168.4	175.5	-95.2	0	0	0	110.6	E376 R379 Q382 K383 G387 A427 Y429	E376-F385 HydrophobicContact CG-CZ 4.43Å; R379-F385 HydrophobicContact CB-CD2 3.94Å; R379-F385 HydrophobicContact CB-CE2 3.71Å; Q382-F385 WeakPolarHBondContact O-CB 3.41Å; Q382-F385 PolarHBondContact O-N 3.29Å; K383-F385 PolarHBondContact O-N 2.77Å; F385-G387 VanDerWaalsContact CZ-CA 3.44Å; F385-A427 HydrophobicContact CD2-CB 3.97Å; F385-A427 HydrophobicContact CE2-CB 3.71Å; F385-Y429 HydrophobicContact CB-CD1 4.23Å; F385-Y429 HydrophobicContact CB-CE1 4.07Å; F385-Y429 HydrophobicContact CD2-CE1 4.25Å
386	V	98.6	Very high	98.2	Very high	63 Å²	63	35.9 Å²	35.9	38%	0.382	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	-39.3	-179.7	-179.8	0	0	0	0	111.4	Q428 I430 F503	V386-Q428 HydrophobicContact CB-CB 4.11Å; V386-Q428 WeakPolarHBondContact CB-O 2.97Å; V386-Q428 PolarHBondContact N-O 3.2Å; V386-I430 HydrophobicContact CG2-CG1 3.89Å; V386-F503 HydrophobicContact CB-CE2 4.16Å; V386-F503 HydrophobicContact CB-CZ 4.37Å; V386-F503 HydrophobicContact CG1-CE2 4.05Å; V386-F503 HydrophobicContact CG1-CZ 4.12Å; V386-F503 HydrophobicContact CG2-CE2 3.9Å; V386-F503 HydrophobicContact CG2-CZ 3.75Å
387	G	98.2	Very high	98.1	Very high	18 Å²	18	32.2 Å²	32.2	19%	0.186	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	167.8	179.4	-177.7	0	0	0	0	0	110.6	F385 A427 Q428	F385-G387 VanDerWaalsContact CZ-CA 3.44Å; G387-A427 CarbonylContact O-C 3.28Å; G387-A427 WeakPolarHBondContact O-CA 3.26Å; G387-Q428 PolarHBondContact O-N 2.89Å
388	L	98.8	Very high	98	Very high	19 Å²	19	30 Å²	30	10%	0.099	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	151.4	173.2	-58.3	-179	0	0	0	111.4	Y227 E376 F390 G426	Y227-L388 WeakPolarHBondContact CA-O 3.35Å; Y227-L388 HydrophobicContact CD1-CB 4.05Å; Y227-L388 HydrophobicContact CE1-CB 4.21Å; E376-L388 HydrophobicContact CB-CD2 4.13Å; E376-L388 HydrophobicContact CG-CD1 4.41Å; E376-L388 HydrophobicContact CG-CD2 3.98Å; E376-L388 HydrophobicContact CG-CG 4.21Å; L388-F390 WeakPolarHBondContact CB-O 3.08Å; L388-G426 WeakPolarHBondContact CA-O 3.01Å
389	S	98.6	Very high	97.8	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.168	C	C	.	.	S	Bend	trans	-89.9	-10	175.8	58.8	0	0	0	0	113.4	Y227 G426 A427 T434 V506	Y227-S389 WeakPolarHBondContact CB-O 3.48Å; S389-G426 PolarHBondContact N-O 3.24Å; S389-G426 VanDerWaalsContact OG-CA 3.25Å; S389-G426 WeakPolarHBondContact OG-CA 3.5Å; S389-G426 PolarHBondContact OG-O 3.31Å; S389-A427 PolarHBondContact OG-N 2.94Å; S389-T434 PolarHBondContact OG-O 3.18Å; S389-V506 WeakPolarHBondContact O-CG1 3.38Å
390	F	97.3	Very high	97.7	Very high	11 Å²	11	30.9 Å²	30.9	5%	0.048	17%	0.169	C	C	.	.	S	Bend	trans	-168	167.4	168.9	53.8	-84.9	0	0	0	109.4	Y51 L388 T392 D424 S425 D435 V506	Y51-F390 HydrophobicContact CE2-CB 4.37Å; Y51-F390 WeakPolarHBondContact OH-CB 3.32Å; L388-F390 WeakPolarHBondContact CB-O 3.08Å; F390-T392 PolarHBondContact O-N 3.36Å; F390-D424 WeakPolarHBondContact CE2-OD1 3.4Å; F390-D424 WeakPolarHBondContact CZ-OD1 3.21Å; F390-S425 VanDerWaalsContact CZ-CA 3.46Å; F390-D435 HydrophobicContact CE1-CB 4.31Å; F390-D435 WeakPolarHBondContact CE1-OD1 3.5Å; F390-D435 WeakPolarHBondContact CZ-OD1 3.23Å; F390-V506 HydrophobicContact CD1-CB 4.48Å; F390-V506 HydrophobicContact CD1-CG1 4.06Å; F390-V506 HydrophobicContact CD1-CG2 4.14Å; F390-V506 HydrophobicContact CE1-CG2 4.25Å
391	P	95.5	Very high	97.4	Very high	32 Å²	32	28.2 Å²	28.2	21%	0.208	15%	0.151	C	C	.	.			trans	-61.6	127.2	173.1	-10.8	22	0	0	0	110.5	Y227 I393	Y227-P391 HydrophobicContact CD2-CG 4.3Å; Y227-P391 HydrophobicContact CE1-CG 4.39Å; Y227-P391 VanDerWaalsContact CE2-CD 3.5Å; Y227-P391 HydrophobicContact CE2-CG 3.51Å; P391-I393 PolarHBondContact O-N 2.75Å
392	T	97.7	Very high	97	Very high	12 Å²	12	25.6 Å²	25.6	7%	0.074	14%	0.14	C	C	.	.			trans	-60.4	128.2	178.1	-69.8	0	0	0	0	110.8	A372 F390 I423 D424 S425	A372-T392 HydrophobicContact CB-CG2 3.61Å; F390-T392 PolarHBondContact O-N 3.36Å; T392-I423 HydrophobicContact CG2-CD1 4.31Å; T392-I423 HydrophobicContact CG2-CG1 4.09Å; T392-D424 WeakPolarHBondContact CA-O 3.45Å; T392-S425 WeakPolarHBondContact OG1-CB 3.29Å
393	I	97.6	Very high	96.5	Very high	16 Å²	16	26 Å²	26	8%	0.082	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	110.2	168.6	-56.3	176.7	0	0	0	106.2	P391 S395 Y405 L422 I423 D424	P391-I393 PolarHBondContact O-N 2.75Å; I393-S395 WeakPolarHBondContact CG2-OG 3.21Å; I393-Y405 WeakPolarHBondContact CG1-O 3.34Å; I393-Y405 WeakPolarHBondContact CG2-O 3.42Å; I393-L422 HydrophobicContact CG2-CD2 4.06Å; I393-I423 CarbonylContact O-C 3.57Å; I393-I423 VanDerWaalsContact O-CA 3.3Å; I393-I423 WeakPolarHBondContact O-CA 3.34Å; I393-D424 HydrophobicContact CB-CB 4.04Å; I393-D424 HydrophobicContact CD1-CB 4.39Å; I393-D424 PolarHBondContact N-O 3.04Å; I393-D424 PolarHBondContact O-N 3.35Å
394	S	98.3	Very high	95.9	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	114.4	174.3	178.8	0	0	0	0	107.6	E368 Y405 Y421	E368-S394 WeakPolarHBondContact CA-OG 3.47Å; E368-S394 WeakPolarHBondContact CB-O 3.26Å; E368-S394 WeakPolarHBondContact CG-O 3.41Å; E368-S394 VanDerWaalsContact O-CB 3.29Å; E368-S394 WeakPolarHBondContact O-CB 3.45Å; E368-S394 PolarHBondContact O-OG 3.43Å; S394-Y405 WeakPolarHBondContact O-CE1 3.48Å; S394-Y421 VanDerWaalsContact OG-CE2 3.23Å; S394-Y421 WeakPolarHBondContact OG-CE2 3.44Å; S394-Y421 PolarHBondContact OG-OH 2.69Å
395	S	97.8	Very high	95.4	Very high	1 Å²	1	20.3 Å²	20.3	1%	0.007	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	132.4	-164.8	-44.1	0	0	0	0	112	E368 I393 Y405 Y421 L422	E368-S395 WeakPolarHBondContact OE1-CA 3.46Å; I393-S395 WeakPolarHBondContact CG2-OG 3.21Å; S395-Y405 VanDerWaalsContact OG-CD1 3.26Å; S395-Y405 WeakPolarHBondContact OG-CD1 3.35Å; S395-Y421 VanDerWaalsContact O-CD2 3.31Å; S395-Y421 WeakPolarHBondContact O-CD2 3.48Å; S395-L422 PolarHBondContact N-O 2.83Å; S395-L422 PolarHBondContact O-N 2.81Å
396	V	97.3	Very high	94.8	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.006	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	131.1	178.5	178.9	0	0	0	0	111.2	E368 N399 R413 L415 E419 Y421	E368-V396 HydrophobicContact CG-CB 4.38Å; E368-V396 HydrophobicContact CG-CG2 3.84Å; E368-V396 PolarHBondContact OE1-N 3.46Å; V396-N399 PolarHBondContact O-N 3.05Å; V396-R413 HydrophobicContact CB-CB 4.24Å; V396-R413 WeakPolarHBondContact O-CD 3.43Å; V396-R413 PolarHBondContact O-NE 3.09Å; V396-L415 HydrophobicContact CG2-CB 4.24Å; V396-L415 HydrophobicContact CG2-CD1 3.54Å; V396-L415 HydrophobicContact CG2-CG 3.49Å; V396-L415 VanDerWaalsContact CG2-CG 3.49Å; V396-E419 HydrophobicContact CG1-CB 3.91Å; V396-Y421 HydrophobicContact CG2-CD2 3.85Å; V396-Y421 HydrophobicContact CG2-CE2 4.43Å
397	G	97.5	Very high	94.1	Very high	3 Å²	3	22.4 Å²	22.4	3%	0.031	12%	0.118	C	C	.	.	G	3₁₀ helix	trans	52.7	-122.8	174.8	0	0	0	0	0	110.8	N399 G400 V420 S540 F541	G397-N399 PolarHBondContact O-N 3.03Å; G397-G400 PolarHBondContact O-N 2.85Å; G397-V420 PolarHBondContact N-O 3.45Å; G397-S540 CarbonylContact C-O 2.87Å; G397-S540 WeakPolarHBondContact CA-O 3.43Å; G397-F541 WeakPolarHBondContact O-CA 3.46Å
398	P	95.7	Very high	93.6	Very high	42 Å²	42	23.3 Å²	23.3	27%	0.273	12%	0.118	S	C	.	.	G	3₁₀ helix	trans	-56.9	-29.7	-173.9	-27.8	35.4	0	0	0	114.6	G400 A401 G539 S540	P398-G400 PolarHBondContact O-N 3.38Å; P398-A401 WeakPolarHBondContact O-CB 3.4Å; P398-A401 PolarHBondContact O-N 2.96Å; P398-G539 WeakPolarHBondContact CG-O 3.29Å; P398-S540 WeakPolarHBondContact CA-O 3.18Å; P398-S540 WeakPolarHBondContact CD-O 3.37Å
399	N	95.2	Very high	93.1	Very high	23 Å²	23	27.4 Å²	27.4	12%	0.123	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-64.9	-27.7	177.8	-73.3	-6.9	0	0	0	111.8	E368 V396 G397 A401 I402 Y405 T411 R413	E368-N399 WeakPolarHBondContact OE1-CB 3.28Å; E368-N399 PolarHBondContact OE1-ND2 3.05Å; E368-N399 PolarHBondContact OE2-ND2 3.25Å; V396-N399 PolarHBondContact O-N 3.05Å; G397-N399 PolarHBondContact O-N 3.03Å; N399-A401 PolarHBondContact O-N 2.75Å; N399-I402 PolarHBondContact O-N 2.71Å; N399-I402 VanDerWaalsContact O-N 3.1Å; N399-Y405 HydrophobicContact CB-CD1 4.22Å; N399-Y405 HydrophobicContact CB-CD2 4.18Å; N399-Y405 HydrophobicContact CB-CE1 4.03Å; N399-Y405 HydrophobicContact CB-CE2 4.03Å; N399-Y405 HydrophobicContact CB-CG 4.28Å; N399-Y405 PolarHBondContact ND2-OH 3.35Å; N399-T411 PolarHBondContact ND2-O 3.34Å; N399-R413 WeakPolarHBondContact ND2-CD 3.45Å; N399-R413 WeakPolarHBondContact ND2-CG 3.47Å
400	G	95.8	Very high	92.4	Very high	4 Å²	4	32.1 Å²	32.1	4%	0.041	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-63.8	-23.7	177	0	0	0	0	0	113.6	G397 P398 I402 Y536 G542	G397-G400 PolarHBondContact O-N 2.85Å; P398-G400 PolarHBondContact O-N 3.38Å; G400-I402 VanDerWaalsContact C-N 3.25Å; G400-I402 PolarHBondContact O-N 3.09Å; G400-Y536 WeakPolarHBondContact O-CD1 3.28Å; G400-G542 VanDerWaalsContact O-CA 3.29Å; G400-G542 WeakPolarHBondContact O-CA 3.46Å
401	A	93.4	Very high	91.8	Very high	6 Å²	6	33.9 Å²	33.9	5%	0.05	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-73.1	-17.7	176.2	0	0	0	0	0	112.9	P398 N399 I403 Y536 E537	P398-A401 WeakPolarHBondContact O-CB 3.4Å; P398-A401 PolarHBondContact O-N 2.96Å; N399-A401 PolarHBondContact O-N 2.75Å; A401-I403 PolarHBondContact O-N 3.26Å; A401-Y536 WeakPolarHBondContact O-CB 3.39Å; A401-E537 VanDerWaalsContact CB-O 3.27Å; A401-E537 WeakPolarHBondContact CB-O 3.35Å
402	I	89.9	Confident	91.7	Very high	42 Å²	42	34.6 Å²	34.6	22%	0.215	18%	0.182	C	C	.	.	S	Bend	trans	-84.4	100.7	177.3	-55.3	167.1	0	0	0	107.8	L89 N399 G400 H404 Y405	L89-I402 HydrophobicContact CD2-CD1 3.73Å; L89-I402 HydrophobicContact CD2-CG1 4.01Å; N399-I402 PolarHBondContact O-N 2.71Å; N399-I402 VanDerWaalsContact O-N 3.1Å; G400-I402 VanDerWaalsContact C-N 3.25Å; G400-I402 PolarHBondContact O-N 3.09Å; I402-H404 VanDerWaalsContact C-N 3.27Å; I402-H404 PolarHBondContact O-N 3.3Å; I402-H404 VanDerWaalsContact O-N 3.09Å; I402-Y405 HydrophobicContact CB-CD2 4.37Å; I402-Y405 HydrophobicContact CD1-CD2 3.96Å; I402-Y405 HydrophobicContact CG2-CD2 4.49Å; I402-Y405 VanDerWaalsContact O-CB 3.31Å; I402-Y405 WeakPolarHBondContact O-CB 3.23Å; I402-Y405 PolarHBondContact O-N 3.31Å
403	I	89	Confident	91.7	Very high	18 Å²	18	38.3 Å²	38.3	9%	0.092	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48	-46.2	-168.9	-48.9	177.8	0	0	0	112.8	R86 A401 L493 Y536	R86-I403 HydrophobicContact CG-CB 4.44Å; R86-I403 HydrophobicContact CG-CD1 4.47Å; R86-I403 HydrophobicContact CG-CG2 4.43Å; A401-I403 PolarHBondContact O-N 3.26Å; I403-L493 HydrophobicContact CD1-CB 4.42Å; I403-Y536 HydrophobicContact CB-CE1 4.34Å; I403-Y536 HydrophobicContact CD1-CD2 4.23Å; I403-Y536 HydrophobicContact CD1-CE2 4.22Å; I403-Y536 HydrophobicContact CG1-CD1 4.11Å; I403-Y536 HydrophobicContact CG1-CD2 3.93Å; I403-Y536 HydrophobicContact CG1-CE1 4.11Å; I403-Y536 HydrophobicContact CG1-CE2 3.94Å; I403-Y536 HydrophobicContact CG1-CG 4.03Å; I403-Y536 HydrophobicContact CG2-CE1 4.29Å; I403-Y536 HydrophobicContact CG2-CE2 4.28Å
404	H	84.5	Confident	91.7	Very high	54 Å²	54	40.8 Å²	40.8	25%	0.25	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.8	42.9	179.2	-77.6	-138.4	0	0	0	111.4	R86 Y87 I402 R406	R86-H404 HydrophobicContact CB-CB 4.31Å; R86-H404 VanDerWaalsContact CD-CD2 3.42Å; R86-H404 WeakPolarHBondContact CD-CD2 3.26Å; R86-H404 VanDerWaalsContact CD-CE1 3.47Å; R86-H404 WeakPolarHBondContact CD-CE1 3.36Å; R86-H404 WeakPolarHBondContact CD-NE2 3.31Å; R86-H404 PolarHBondContact NH1-CE1 3.35Å; Y87-H404 HydrophobicContact CE1-CB 3.72Å; Y87-H404 AromaticContact CZ-ND1 3.67Å; Y87-H404 PolarHBondContact OH-ND1 3.03Å; I402-H404 VanDerWaalsContact C-N 3.27Å; I402-H404 PolarHBondContact O-N 3.3Å; I402-H404 VanDerWaalsContact O-N 3.09Å; H404-R406 PolarHBondContact O-N 3.08Å
405	Y	88.2	Confident	91.7	Very high	15 Å²	15	41 Å²	41	6%	0.059	21%	0.211	C	C	.	.			trans	-59.1	135.8	176.4	-177.3	-107.9	0	0	0	111.1	E368 I393 S394 S395 N399 I402 P407 T411	E368-Y405 WeakPolarHBondContact OE2-CE1 3.49Å; E368-Y405 PolarHBondContact OE2-OH 3.17Å; I393-Y405 WeakPolarHBondContact CG1-O 3.34Å; I393-Y405 WeakPolarHBondContact CG2-O 3.42Å; S394-Y405 WeakPolarHBondContact O-CE1 3.48Å; S395-Y405 VanDerWaalsContact OG-CD1 3.26Å; S395-Y405 WeakPolarHBondContact OG-CD1 3.35Å; N399-Y405 HydrophobicContact CB-CD1 4.22Å; N399-Y405 HydrophobicContact CB-CD2 4.18Å; N399-Y405 HydrophobicContact CB-CE1 4.03Å; N399-Y405 HydrophobicContact CB-CE2 4.03Å; N399-Y405 HydrophobicContact CB-CG 4.28Å; N399-Y405 PolarHBondContact ND2-OH 3.35Å; I402-Y405 HydrophobicContact CB-CD2 4.37Å; I402-Y405 HydrophobicContact CD1-CD2 3.96Å; I402-Y405 HydrophobicContact CG2-CD2 4.49Å; I402-Y405 VanDerWaalsContact O-CB 3.31Å; I402-Y405 WeakPolarHBondContact O-CB 3.23Å; I402-Y405 PolarHBondContact O-N 3.31Å; Y405-P407 HydrophobicContact CE1-CB 3.89Å; Y405-T411 WeakPolarHBondContact OH-CB 3.41Å; Y405-T411 PolarHBondContact OH-O 2.93Å; Y405-T411 PolarHBondContact OH-OG1 3.18Å
406	R	86.1	Confident	91.5	Very high	137 Å²	137	43.1 Å²	43.1	52%	0.517	22%	0.224	S	C	.	.			trans	-119.5	122.9	168.1	-177.8	178.8	176.9	-176	-0	107.8	H404 L408	H404-R406 PolarHBondContact O-N 3.08Å; R406-L408 PolarHBondContact O-N 3.35Å
407	P	84.4	Confident	91.5	Very high	17 Å²	17	45.5 Å²	45.5	11%	0.11	24%	0.238	C	C	.	.			trans	-65.8	127.8	176.8	28	-34	0	0	0	109.8	E368 I369 Y405	E368-P407 HydrophobicContact CB-CB 3.84Å; I369-P407 HydrophobicContact CG1-CB 3.84Å; I369-P407 HydrophobicContact CG1-CG 4.41Å; Y405-P407 HydrophobicContact CE1-CB 3.89Å
408	L	86.9	Confident	91.5	Very high	36 Å²	36	51.3 Å²	51.3	19%	0.188	27%	0.269	C	S	.	.			trans	-119.8	150.7	175	-62.5	173.5	0	0	0	109	M10 R406 E410 T411 N412	M10-L408 HydrophobicContact CE-CD1 4.05Å; M10-L408 HydrophobicContact SD-CD1 4.23Å; R406-L408 PolarHBondContact O-N 3.35Å; L408-E410 VanDerWaalsContact CB-CD 3.5Å; L408-E410 HydrophobicContact CB-CG 4.27Å; L408-E410 WeakPolarHBondContact CB-OE1 3.45Å; L408-E410 WeakPolarHBondContact CD1-OE1 3.34Å; L408-E410 PolarHBondContact O-N 2.87Å; L408-T411 PolarHBondContact N-OG1 3.44Å; L408-T411 CarbonylContact O-C 3.59Å; L408-T411 PolarHBondContact O-N 3.49Å; L408-T411 PolarHBondContact O-OG1 2.81Å; L408-N412 WeakPolarHBondContact O-CB 3.34Å; L408-N412 PolarHBondContact O-N 2.97Å
409	P	89.1	Confident	91.6	Very high	105 Å²	105	51.4 Å²	51.4	68%	0.682	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.2	-35.5	-177.1	-29.9	36.4	0	0	0	114.3	I369	I369-P409 HydrophobicContact CD1-CG 4.22Å
410	E	83.8	Confident	91.7	Very high	99 Å²	99	50.4 Å²	50.4	46%	0.463	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-24.2	179.5	61.7	-86.9	-159.7	0	0	114.7	M10 L408	M10-E410 HydrophobicContact CG-CG 4.07Å; L408-E410 VanDerWaalsContact CB-CD 3.5Å; L408-E410 HydrophobicContact CB-CG 4.27Å; L408-E410 WeakPolarHBondContact CB-OE1 3.45Å; L408-E410 WeakPolarHBondContact CD1-OE1 3.34Å; L408-E410 PolarHBondContact O-N 2.87Å
411	T	85	Confident	91.9	Very high	48 Å²	48	50.3 Å²	50.3	29%	0.294	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.6	3.6	177.1	62.9	0	0	0	0	113	N399 Y405 L408 R413	N399-T411 PolarHBondContact ND2-O 3.34Å; Y405-T411 WeakPolarHBondContact OH-CB 3.41Å; Y405-T411 PolarHBondContact OH-O 2.93Å; Y405-T411 PolarHBondContact OH-OG1 3.18Å; L408-T411 PolarHBondContact N-OG1 3.44Å; L408-T411 CarbonylContact O-C 3.59Å; L408-T411 PolarHBondContact O-N 3.49Å; L408-T411 PolarHBondContact O-OG1 2.81Å; T411-R413 PolarHBondContact O-N 2.8Å
412	N	93.4	Very high	92.1	Very high	48 Å²	48	50.1 Å²	50.1	26%	0.257	26%	0.257	S	S	.	.			trans	-65.6	101.8	-173.7	-173.9	28.8	0	0	0	111.8	T367 E368 I369 L408	T367-N412 VanDerWaalsContact CB-ND2 3.34Å; T367-N412 WeakPolarHBondContact CB-ND2 3.48Å; T367-N412 VanDerWaalsContact CB-OD1 3.3Å; T367-N412 WeakPolarHBondContact CB-OD1 3.26Å; T367-N412 PolarHBondContact OG1-ND2 3.39Å; T367-N412 VanDerWaalsContact OG1-ND2 3.09Å; T367-N412 PolarHBondContact OG1-OD1 2.79Å; E368-N412 WeakPolarHBondContact CB-OD1 3.41Å; E368-N412 PolarHBondContact N-OD1 3.36Å; E368-N412 VanDerWaalsContact N-OD1 3.15Å; I369-N412 HydrophobicContact CD1-CB 3.83Å; I369-N412 HydrophobicContact CG1-CB 4.13Å; I369-N412 PolarHBondContact N-OD1 2.96Å; L408-N412 WeakPolarHBondContact O-CB 3.34Å; L408-N412 PolarHBondContact O-N 2.97Å
413	R	96.2	Very high	92.5	Very high	90 Å²	90	48.2 Å²	48.2	34%	0.34	25%	0.247	S	C	.	.	P	Polyproline II helix	trans	-83	148.8	178.3	-65	175.6	68	82.5	-2.9	111.7	T367 E368 V396 N399 T411 E419	T367-R413 CarbonylContact C-O 3.51Å; T367-R413 VanDerWaalsContact CA-O 3.22Å; T367-R413 WeakPolarHBondContact CA-O 2.92Å; T367-R413 WeakPolarHBondContact CB-O 3.39Å; E368-R413 HydrophobicContact CG-CB 4.28Å; E368-R413 PolarHBondContact N-O 2.91Å; E368-R413 PolarHBondContact OE2-N 3.06Å; E368-R413 VanDerWaalsContact OE2-N 3.1Å; V396-R413 HydrophobicContact CB-CB 4.24Å; V396-R413 WeakPolarHBondContact O-CD 3.43Å; V396-R413 PolarHBondContact O-NE 3.09Å; N399-R413 WeakPolarHBondContact ND2-CD 3.45Å; N399-R413 WeakPolarHBondContact ND2-CG 3.47Å; T411-R413 PolarHBondContact O-N 2.8Å; R413-E419 IonicContact CZ-OE1 3.64Å; R413-E419 IonicContact NH2-OE1 3.45Å; R413-E419 PolarHBondContact NH2-OE1 3.26Å
414	T	97.7	Very high	93	Very high	67 Å²	67	47.9 Å²	47.9	41%	0.411	25%	0.246	S	C	.	.	B	Isolated β-bridge	trans	-76.7	132.2	167.9	-55.1	0	0	0	0	109.6	V366	V366-T414 CarbonylContact O-C 3.56Å; V366-T414 WeakPolarHBondContact O-CA 3.4Å; V366-T414 WeakPolarHBondContact O-CG2 3.48Å
415	L	97.8	Very high	93.7	Very high	4 Å²	4	45.3 Å²	45.3	2%	0.021	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-68.3	135.2	171.5	-79.3	68.6	0	0	0	109.1	L357 I361 V366 T367 E368 A371 V396 Y421	L357-L415 HydrophobicContact CD2-CD2 3.93Å; I361-L415 HydrophobicContact CD1-CB 4.08Å; I361-L415 HydrophobicContact CD1-CD2 3.66Å; I361-L415 HydrophobicContact CD1-CG 4.5Å; I361-L415 HydrophobicContact CG1-CB 3.99Å; I361-L415 HydrophobicContact CG1-CD2 4.13Å; I361-L415 HydrophobicContact CG2-CB 4.49Å; V366-L415 HydrophobicContact CB-CB 4.41Å; V366-L415 HydrophobicContact CG1-CB 4.48Å; V366-L415 HydrophobicContact CG1-CD1 4.19Å; V366-L415 HydrophobicContact CG1-CD2 3.94Å; V366-L415 HydrophobicContact CG1-CG 4.43Å; V366-L415 PolarHBondContact O-N 3.01Å; T367-L415 WeakPolarHBondContact O-CD1 3.35Å; E368-L415 HydrophobicContact CG-CD1 4.46Å; E368-L415 VanDerWaalsContact N-CD1 3.34Å; A371-L415 HydrophobicContact CB-CD1 4.44Å; A371-L415 HydrophobicContact CB-CD2 4.27Å; V396-L415 HydrophobicContact CG2-CB 4.24Å; V396-L415 HydrophobicContact CG2-CD1 3.54Å; V396-L415 HydrophobicContact CG2-CG 3.49Å; V396-L415 VanDerWaalsContact CG2-CG 3.49Å; L415-Y421 HydrophobicContact CD1-CD2 4.46Å; L415-Y421 HydrophobicContact CD1-CE2 4.25Å; L415-Y421 HydrophobicContact CD2-CD1 4.16Å; L415-Y421 HydrophobicContact CD2-CD2 3.75Å; L415-Y421 HydrophobicContact CD2-CE1 4.16Å; L415-Y421 HydrophobicContact CD2-CE2 3.74Å; L415-Y421 HydrophobicContact CD2-CG 3.97Å; L415-Y421 HydrophobicContact CG-CD2 3.94Å; L415-Y421 HydrophobicContact CG-CE2 4.12Å; L415-Y421 HydrophobicContact CG-CG 4.46Å
416	T	95.3	Very high	94.2	Very high	46 Å²	46	44.6 Å²	44.6	28%	0.282	23%	0.231	S	C	.	.			trans	-124.5	167.4	176.9	77.4	0	0	0	0	110.8	N418 E419	T416-N418 PolarHBondContact O-N 2.78Å; T416-N418 PolarHBondContact OG1-N 2.73Å; T416-E419 PolarHBondContact OG1-OE2 3.45Å
417	V	96.7	Very high	94.8	Very high	51 Å²	51	38.1 Å²	38.1	31%	0.309	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-5.1	172.9	-60.2	0	0	0	0	113.3	I361 H441 F442 G443	I361-V417 HydrophobicContact CG2-CG1 3.97Å; V417-H441 PolarHBondContact O-CE1 2.72Å; V417-F442 HydrophobicContact CB-CB 4.35Å; V417-F442 HydrophobicContact CG1-CB 4.11Å; V417-G443 WeakPolarHBondContact O-CA 3.31Å; V417-G443 PolarHBondContact O-N 2.81Å
418	N	96.6	Very high	95.5	Very high	126 Å²	126	37.5 Å²	37.5	67%	0.674	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109.8	0.2	-170.7	-61	-40.5	0	0	0	113.6	T416 H441	T416-N418 PolarHBondContact O-N 2.78Å; T416-N418 PolarHBondContact OG1-N 2.73Å; N418-H441 VanDerWaalsContact C-NE2 3.33Å
419	E	97.9	Very high	96.1	Very high	43 Å²	43	35.8 Å²	35.8	20%	0.201	19%	0.193	C	C	.	.	S	Bend	trans	-126.4	149.9	-176.7	-69.3	169	108.3	0	0	110.1	V396 R413 T416	V396-E419 HydrophobicContact CG1-CB 3.91Å; R413-E419 IonicContact CZ-OE1 3.64Å; R413-E419 IonicContact NH2-OE1 3.45Å; R413-E419 PolarHBondContact NH2-OE1 3.26Å; T416-E419 PolarHBondContact OG1-OE2 3.45Å
420	V	98.6	Very high	96.5	Very high	3 Å²	3	31.8 Å²	31.8	2%	0.018	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	137	169.6	172.6	0	0	0	0	109.8	G397 T439 E449 F541 M580	G397-V420 PolarHBondContact N-O 3.45Å; V420-T439 HydrophobicContact CG1-CG2 3.28Å; V420-E449 HydrophobicContact CG2-CB 4.34Å; V420-E449 HydrophobicContact CG2-CG 3.86Å; V420-E449 WeakPolarHBondContact CG2-OE1 3.29Å; V420-F541 HydrophobicContact CB-CB 4.01Å; V420-F541 HydrophobicContact CG1-CB 4.47Å; V420-F541 HydrophobicContact CG2-CB 4.18Å; V420-F541 HydrophobicContact CG2-CG 4.47Å; V420-M580 HydrophobicContact CG2-CE 4.11Å
421	Y	98.7	Very high	97.1	Very high	2 Å²	2	28.5 Å²	28.5	1%	0.008	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	125.1	171.6	176.8	-119.2	0	0	0	109.7	L357 A371 S394 S395 V396 L415 I423 T439 V440 F442	L357-Y421 HydrophobicContact CD1-CD1 4.4Å; L357-Y421 HydrophobicContact CD1-CE1 3.78Å; A371-Y421 VanDerWaalsContact CB-OH 3.31Å; A371-Y421 WeakPolarHBondContact CB-OH 3.29Å; S394-Y421 VanDerWaalsContact OG-CE2 3.23Å; S394-Y421 WeakPolarHBondContact OG-CE2 3.44Å; S394-Y421 PolarHBondContact OG-OH 2.69Å; S395-Y421 VanDerWaalsContact O-CD2 3.31Å; S395-Y421 WeakPolarHBondContact O-CD2 3.48Å; V396-Y421 HydrophobicContact CG2-CD2 3.85Å; V396-Y421 HydrophobicContact CG2-CE2 4.43Å; L415-Y421 HydrophobicContact CD1-CD2 4.46Å; L415-Y421 HydrophobicContact CD1-CE2 4.25Å; L415-Y421 HydrophobicContact CD2-CD1 4.16Å; L415-Y421 HydrophobicContact CD2-CD2 3.75Å; L415-Y421 HydrophobicContact CD2-CE1 4.16Å; L415-Y421 HydrophobicContact CD2-CE2 3.74Å; L415-Y421 HydrophobicContact CD2-CG 3.97Å; L415-Y421 HydrophobicContact CG-CD2 3.94Å; L415-Y421 HydrophobicContact CG-CE2 4.12Å; L415-Y421 HydrophobicContact CG-CG 4.46Å; Y421-I423 HydrophobicContact CE1-CB 3.82Å; Y421-I423 HydrophobicContact CE1-CG2 4Å; Y421-T439 CarbonylContact O-C 3.55Å; Y421-T439 WeakPolarHBondContact O-CA 3.36Å; Y421-V440 HydrophobicContact CD1-CG2 3.79Å; Y421-V440 HydrophobicContact CG-CG2 4.43Å; Y421-V440 PolarHBondContact N-O 2.91Å; Y421-V440 PolarHBondContact O-N 3.05Å; Y421-F442 AromaticContact CD1-CE2 3.94Å; Y421-F442 HydrophobicContact CD1-CE2 3.94Å; Y421-F442 HydrophobicContact CD1-CZ 4.28Å; Y421-F442 HydrophobicContact CG-CE2 4.21Å
422	L	98.8	Very high	97.7	Very high	2 Å²	2	26.2 Å²	26.2	1%	0.01	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	127.1	173	-176.3	156.1	0	0	0	108.4	I393 S395 D424 T437 R544	I393-L422 HydrophobicContact CG2-CD2 4.06Å; S395-L422 PolarHBondContact N-O 2.83Å; S395-L422 PolarHBondContact O-N 2.81Å; L422-D424 HydrophobicContact CD2-CB 4.19Å; L422-T437 HydrophobicContact CD1-CG2 4.33Å; L422-T437 HydrophobicContact CD2-CG2 3.89Å; L422-T437 HydrophobicContact CG-CG2 3.91Å; L422-R544 HydrophobicContact CD1-CB 4.08Å
423	I	98.8	Very high	98	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.005	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	122.7	167.4	-169.8	176.8	0	0	0	109.9	L353 F354 A375 T392 I393 Y421 T437 R438	L353-I423 HydrophobicContact CD2-CD1 3.62Å; F354-I423 HydrophobicContact CE1-CG2 3.89Å; F354-I423 HydrophobicContact CZ-CG2 3.71Å; A375-I423 HydrophobicContact CB-CD1 3.96Å; T392-I423 HydrophobicContact CG2-CD1 4.31Å; T392-I423 HydrophobicContact CG2-CG1 4.09Å; I393-I423 CarbonylContact O-C 3.57Å; I393-I423 VanDerWaalsContact O-CA 3.3Å; I393-I423 WeakPolarHBondContact O-CA 3.34Å; Y421-I423 HydrophobicContact CE1-CB 3.82Å; Y421-I423 HydrophobicContact CE1-CG2 4Å; I423-T437 CarbonylContact O-C 3.44Å; I423-T437 VanDerWaalsContact O-CA 3.31Å; I423-T437 WeakPolarHBondContact O-CA 3.5Å; I423-R438 PolarHBondContact N-O 3.49Å; I423-R438 PolarHBondContact O-N 3.26Å
424	D	98.8	Very high	98.1	Very high	12 Å²	12	19.6 Å²	19.6	6%	0.064	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	121.4	171	177.1	15.2	0	0	0	109.2	F390 T392 I393 L422 T437 R544	F390-D424 WeakPolarHBondContact CE2-OD1 3.4Å; F390-D424 WeakPolarHBondContact CZ-OD1 3.21Å; T392-D424 WeakPolarHBondContact CA-O 3.45Å; I393-D424 HydrophobicContact CB-CB 4.04Å; I393-D424 HydrophobicContact CD1-CB 4.39Å; I393-D424 PolarHBondContact N-O 3.04Å; I393-D424 PolarHBondContact O-N 3.35Å; L422-D424 HydrophobicContact CD2-CB 4.19Å; D424-T437 HydrophobicContact CB-CG2 3.74Å; D424-T437 WeakPolarHBondContact CB-OG1 3.27Å; D424-T437 PolarHBondContact OD1-OG1 2.97Å; D424-T437 VanDerWaalsContact OD1-OG1 3.11Å; D424-T437 PolarHBondContact OD2-OG1 2.77Å; D424-R544 VanDerWaalsContact CG-NH2 3.33Å; D424-R544 IonicContact OD2-CZ 3.29Å; D424-R544 IonicContact OD2-NE 2.8Å; D424-R544 IonicContact OD2-NH2 2.72Å; D424-R544 PolarHBondContact OD2-NH2 3.44Å
425	S	98.8	Very high	98.2	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.09	C	C	.	.			trans	-162.2	149.1	-169.4	60.3	0	0	0	0	111.8	R379 F390 T392 V436	R379-S425 PolarHBondContact NH1-OG 3.15Å; R379-S425 PolarHBondContact NH2-O 2.99Å; R379-S425 PolarHBondContact NH2-OG 2.87Å; F390-S425 VanDerWaalsContact CZ-CA 3.46Å; T392-S425 WeakPolarHBondContact OG1-CB 3.29Å; S425-V436 PolarHBondContact N-O 2.9Å; S425-V436 VanDerWaalsContact N-O 3.16Å; S425-V436 WeakPolarHBondContact O-CG1 3.5Å; S425-V436 PolarHBondContact O-N 3.19Å
426	G	98.8	Very high	98.2	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.09	C	C	.	.			trans	-153.4	172.5	175.8	0	0	0	0	0	112.4	L388 S389 T434	L388-G426 WeakPolarHBondContact CA-O 3.01Å; S389-G426 PolarHBondContact N-O 3.24Å; S389-G426 VanDerWaalsContact OG-CA 3.25Å; S389-G426 WeakPolarHBondContact OG-CA 3.5Å; S389-G426 PolarHBondContact OG-O 3.31Å; G426-T434 WeakPolarHBondContact CA-O 3.34Å
427	A	98.9	Very high	98.4	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	155.9	-179.6	0	0	0	0	0	113.9	F385 G387 S389 Y429 T433 T434	F385-A427 HydrophobicContact CD2-CB 3.97Å; F385-A427 HydrophobicContact CE2-CB 3.71Å; G387-A427 CarbonylContact O-C 3.28Å; G387-A427 WeakPolarHBondContact O-CA 3.26Å; S389-A427 PolarHBondContact OG-N 2.94Å; A427-Y429 HydrophobicContact CB-CD2 4.28Å; A427-Y429 HydrophobicContact CB-CE2 3.63Å; A427-T433 WeakPolarHBondContact O-CA 3.36Å; A427-T434 PolarHBondContact N-OG1 2.88Å; A427-T434 PolarHBondContact O-N 3.39Å
428	Q	98.9	Very high	98.5	Very high	4 Å²	4	12.2 Å²	12.2	2%	0.019	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	123.8	164.1	-59.5	-64.5	-4	0	0	108.8	Y227 P229 V386 G387 T433 F503 L504	Y227-Q428 PolarHBondContact O-NE2 2.92Å; P229-Q428 HydrophobicContact CG-CG 4.45Å; V386-Q428 HydrophobicContact CB-CB 4.11Å; V386-Q428 WeakPolarHBondContact CB-O 2.97Å; V386-Q428 PolarHBondContact N-O 3.2Å; G387-Q428 PolarHBondContact O-N 2.89Å; Q428-T433 PolarHBondContact OE1-OG1 3.26Å; Q428-F503 HydrophobicContact CB-CD2 4.09Å; Q428-F503 HydrophobicContact CB-CE2 4.1Å; Q428-L504 PolarHBondContact NE2-O 2.86Å; Q428-L504 PolarHBondContact OE1-O 3.28Å
429	Y	98.8	Very high	98.6	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	3%	0.032	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	156.3	165.1	-60.2	-91.9	0	0	0	108.4	A342 K345 D346 Q382 D384 F385 A427 D431 G432 T434 F503	A342-Y429 HydrophobicContact CB-CD2 3.83Å; A342-Y429 HydrophobicContact CB-CG 4.19Å; K345-Y429 HydrophobicContact CB-CE1 4.13Å; K345-Y429 HydrophobicContact CD-CD1 4.39Å; D346-Y429 HydrophobicContact CB-CE2 4.14Å; D346-Y429 PolarHBondContact OD1-OH 2.83Å; Q382-Y429 HydrophobicContact CB-CE1 3.86Å; D384-Y429 CarbonylContact O-C 2.97Å; D384-Y429 WeakPolarHBondContact O-CA 3.33Å; F385-Y429 HydrophobicContact CB-CD1 4.23Å; F385-Y429 HydrophobicContact CB-CE1 4.07Å; F385-Y429 HydrophobicContact CD2-CE1 4.25Å; A427-Y429 HydrophobicContact CB-CD2 4.28Å; A427-Y429 HydrophobicContact CB-CE2 3.63Å; Y429-D431 PolarHBondContact O-N 3.25Å; Y429-D431 VanDerWaalsContact O-N 3.1Å; Y429-G432 CarbonylContact C-O 3.44Å; Y429-G432 WeakPolarHBondContact CA-O 3.43Å; Y429-G432 PolarHBondContact N-O 3.31Å; Y429-G432 PolarHBondContact O-N 3.07Å; Y429-T434 HydrophobicContact CD2-CG2 4.27Å; Y429-T434 HydrophobicContact CE2-CG2 4.03Å; Y429-F503 VanDerWaalsContact O-CB 3.31Å; Y429-F503 WeakPolarHBondContact O-CB 3.43Å; Y429-F503 WeakPolarHBondContact O-CD2 3.39Å; Y429-F503 WeakPolarHBondContact O-CG 3.49Å
430	I	98.5	Very high	98.6	Very high	22 Å²	22	4.8 Å²	4.8	11%	0.113	3%	0.025	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-33.4	175.1	-57	176	0	0	0	111.1	L178 Y182 D384 V386 F503	L178-I430 HydrophobicContact CD2-CG2 3.82Å; Y182-I430 HydrophobicContact CD1-CG2 3.79Å; Y182-I430 HydrophobicContact CD2-CG2 4.23Å; Y182-I430 HydrophobicContact CE1-CB 4.14Å; Y182-I430 HydrophobicContact CE1-CG2 3.51Å; Y182-I430 HydrophobicContact CE2-CG2 4.01Å; Y182-I430 HydrophobicContact CG-CG2 4.13Å; D384-I430 HydrophobicContact CB-CB 4.04Å; D384-I430 HydrophobicContact CB-CD1 4.03Å; D384-I430 HydrophobicContact CB-CG1 3.99Å; D384-I430 PolarHBondContact O-N 2.65Å; V386-I430 HydrophobicContact CG2-CG1 3.89Å; I430-F503 HydrophobicContact CB-CD1 4.5Å; I430-F503 HydrophobicContact CB-CE1 4.38Å; I430-F503 HydrophobicContact CG1-CE1 4.41Å; I430-F503 HydrophobicContact CG2-CD1 4.4Å; I430-F503 HydrophobicContact CG2-CE1 4.33Å; I430-F503 VanDerWaalsContact O-CD1 3.3Å; I430-F503 WeakPolarHBondContact O-CD1 3.35Å
431	D	95.4	Very high	98.6	Very high	29 Å²	29	4.7 Å²	4.7	16%	0.155	3%	0.025	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-15.9	-179.9	-46	-87.3	0	0	0	115.1	Y182 G338 M339 K345 Y429	Y182-D431 WeakPolarHBondContact CE1-OD1 3.27Å; G338-D431 CarbonylContact C-O 3.53Å; G338-D431 WeakPolarHBondContact CA-O 3.47Å; M339-D431 PolarHBondContact N-O 3.13Å; K345-D431 IonicContact NZ-OD2 2.76Å; K345-D431 PolarHBondContact NZ-OD2 3.26Å; Y429-D431 PolarHBondContact O-N 3.25Å; Y429-D431 VanDerWaalsContact O-N 3.1Å
432	G	98.7	Very high	98.5	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.03	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171	174.6	-171.3	0	0	0	0	0	115.5	M339 Y429	M339-G432 WeakPolarHBondContact SD-CA 3.32Å; Y429-G432 CarbonylContact C-O 3.44Å; Y429-G432 WeakPolarHBondContact CA-O 3.43Å; Y429-G432 PolarHBondContact N-O 3.31Å; Y429-G432 PolarHBondContact O-N 3.07Å
433	T	98.9	Very high	98.4	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.041	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	138.8	179.9	-52.9	0	0	0	0	109.3	M339 H343 A427 Q428 V500 G501 F503 L504 V506	M339-T433 VanDerWaalsContact CE-O 3.29Å; M339-T433 WeakPolarHBondContact CE-O 3.44Å; M339-T433 PolarHBondContact SD-N 2.8Å; M339-T433 VanDerWaalsContact SD-N 3.36Å; H343-T433 PolarHBondContact CE1-O 3.02Å; A427-T433 WeakPolarHBondContact O-CA 3.36Å; Q428-T433 PolarHBondContact OE1-OG1 3.26Å; T433-V500 HydrophobicContact CG2-CG1 4.29Å; T433-G501 WeakPolarHBondContact CB-O 3.19Å; T433-G501 PolarHBondContact OG1-O 3Å; T433-F503 VanDerWaalsContact OG1-CA 3.23Å; T433-F503 WeakPolarHBondContact OG1-CA 3.47Å; T433-F503 PolarHBondContact OG1-N 2.82Å; T433-F503 VanDerWaalsContact OG1-N 3.07Å; T433-L504 PolarHBondContact OG1-N 2.86Å; T433-L504 PolarHBondContact OG1-O 2.84Å; T433-V506 HydrophobicContact CG2-CB 4.01Å; T433-V506 HydrophobicContact CG2-CG2 4.12Å
434	T	98.9	Very high	98.4	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	8%	0.079	C	C	.	.			trans	-115.7	154.9	176.9	70.4	0	0	0	0	112.2	A342 D346 S389 G426 A427 Y429	A342-T434 HydrophobicContact CB-CG2 4.2Å; D346-T434 HydrophobicContact CB-CG2 3.78Å; D346-T434 PolarHBondContact OD1-OG1 2.68Å; D346-T434 PolarHBondContact OD2-OG1 2.87Å; S389-T434 PolarHBondContact OG-O 3.18Å; G426-T434 WeakPolarHBondContact CA-O 3.34Å; A427-T434 PolarHBondContact N-OG1 2.88Å; A427-T434 PolarHBondContact O-N 3.39Å; Y429-T434 HydrophobicContact CD2-CG2 4.27Å; Y429-T434 HydrophobicContact CE2-CG2 4.03Å
435	D	98.9	Very high	98.3	Very high	3 Å²	3	13.2 Å²	13.2	2%	0.016	8%	0.08	C	C	.	.			trans	-148.7	130.9	173.3	-155.8	-19.5	0	0	0	109	F390 H498 V506 V548	F390-D435 HydrophobicContact CE1-CB 4.31Å; F390-D435 WeakPolarHBondContact CE1-OD1 3.5Å; F390-D435 WeakPolarHBondContact CZ-OD1 3.23Å; D435-H498 IonicContact OD2-CE1 3.37Å; D435-H498 IonicContact OD2-NE2 3.43Å; D435-V506 HydrophobicContact CB-CG2 3.76Å; D435-V506 WeakPolarHBondContact OD2-CG2 3.29Å; D435-V548 HydrophobicContact CB-CG2 3.84Å; D435-V548 WeakPolarHBondContact O-CG2 3.01Å
436	V	98.9	Very high	98.3	Very high	4 Å²	4	15.9 Å²	15.9	2%	0.024	10%	0.099	C	C	.	.			trans	-165.1	118.1	-175.7	51.5	0	0	0	0	112.4	L350 S425 R438 T572	L350-V436 HydrophobicContact CD1-CB 4.46Å; L350-V436 HydrophobicContact CD1-CG1 3.38Å; L350-V436 HydrophobicContact CD1-CG2 4.25Å; S425-V436 PolarHBondContact N-O 2.9Å; S425-V436 VanDerWaalsContact N-O 3.16Å; S425-V436 WeakPolarHBondContact O-CG1 3.5Å; S425-V436 PolarHBondContact O-N 3.19Å; V436-R438 HydrophobicContact CG2-CG 4.45Å; V436-T572 HydrophobicContact CB-CG2 3.89Å; V436-T572 HydrophobicContact CG2-CG2 3.55Å
437	T	98.9	Very high	98.3	Very high	0 Å²	0	20 Å²	20	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	133.8	164.1	-47.8	0	0	0	0	113.5	L422 I423 D424 R544 E546	L422-T437 HydrophobicContact CD1-CG2 4.33Å; L422-T437 HydrophobicContact CD2-CG2 3.89Å; L422-T437 HydrophobicContact CG-CG2 3.91Å; I423-T437 CarbonylContact O-C 3.44Å; I423-T437 VanDerWaalsContact O-CA 3.31Å; I423-T437 WeakPolarHBondContact O-CA 3.5Å; D424-T437 HydrophobicContact CB-CG2 3.74Å; D424-T437 WeakPolarHBondContact CB-OG1 3.27Å; D424-T437 PolarHBondContact OD1-OG1 2.97Å; D424-T437 VanDerWaalsContact OD1-OG1 3.11Å; D424-T437 PolarHBondContact OD2-OG1 2.77Å; T437-R544 HydrophobicContact CG2-CB 3.7Å; T437-R544 HydrophobicContact CG2-CG 3.88Å; T437-R544 WeakPolarHBondContact CG2-O 3.44Å; T437-R544 PolarHBondContact OG1-NE 2.71Å; T437-E546 WeakPolarHBondContact CB-OE2 3.4Å; T437-E546 PolarHBondContact N-OE2 3.39Å; T437-E546 PolarHBondContact O-N 3.42Å; T437-E546 PolarHBondContact OG1-OE2 2.88Å
438	R	98.9	Very high	98.3	Very high	5 Å²	5	24 Å²	24	2%	0.019	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	138.1	162.8	-70.9	-68.7	176.2	-82.2	2.4	110.4	F354 I423 V436 E546 N547 V574 P575 Y597	F354-R438 HydrophobicContact CE2-CB 4.25Å; F354-R438 HydrophobicContact CE2-CG 4.16Å; F354-R438 HydrophobicContact CZ-CB 3.71Å; F354-R438 HydrophobicContact CZ-CG 4.13Å; I423-R438 PolarHBondContact N-O 3.49Å; I423-R438 PolarHBondContact O-N 3.26Å; V436-R438 HydrophobicContact CG2-CG 4.45Å; R438-E546 PolarHBondContact NH1-O 2.73Å; R438-N547 PolarHBondContact NH1-OD1 3.45Å; R438-N547 PolarHBondContact NH2-OD1 3.38Å; R438-V574 HydrophobicContact CG-CG1 4.02Å; R438-V574 PolarHBondContact NE-O 3.46Å; R438-V574 VanDerWaalsContact NE-O 3.15Å; R438-V574 PolarHBondContact NH2-O 3.3Å; R438-P575 WeakPolarHBondContact CD-O 3.49Å; R438-P575 PolarHBondContact NE-O 2.92Å; R438-P575 VanDerWaalsContact NE-O 3.13Å; R438-Y597 PolarHBondContact NH2-OH 3.09Å
439	T	98.9	Very high	98.3	Very high	2 Å²	2	24.9 Å²	24.9	1%	0.012	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	128.7	170.6	-52	0	0	0	0	109.2	V420 Y421 F453 I543 R544	V420-T439 HydrophobicContact CG1-CG2 3.28Å; Y421-T439 CarbonylContact O-C 3.55Å; Y421-T439 WeakPolarHBondContact O-CA 3.36Å; T439-F453 WeakPolarHBondContact O-CE2 3.44Å; T439-I543 HydrophobicContact CG2-CB 4.32Å; T439-I543 HydrophobicContact CG2-CG1 3.99Å; T439-I543 HydrophobicContact CG2-CG2 4.33Å; T439-R544 PolarHBondContact OG1-N 3.14Å; T439-R544 PolarHBondContact OG1-O 2.76Å
440	V	98.6	Very high	98.3	Very high	11 Å²	11	27.9 Å²	27.9	7%	0.067	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	164.1	-173.4	-60.2	0	0	0	0	111.5	F354 Y421 F442 Q577	F354-V440 HydrophobicContact CE1-CG1 4.32Å; F354-V440 HydrophobicContact CE1-CG2 4.46Å; Y421-V440 HydrophobicContact CD1-CG2 3.79Å; Y421-V440 HydrophobicContact CG-CG2 4.43Å; Y421-V440 PolarHBondContact N-O 2.91Å; Y421-V440 PolarHBondContact O-N 3.05Å; V440-F442 HydrophobicContact CG2-CE1 4.48Å; V440-F442 HydrophobicContact CG2-CE2 3.7Å; V440-F442 HydrophobicContact CG2-CZ 3.65Å; V440-Q577 HydrophobicContact CG1-CB 4.17Å
441	H	98.5	Very high	98.3	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.005	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	137.8	171.6	-168.1	-77.2	0	0	0	110.4	V417 N418 G443 T444 P445 Q577 K579 M580	V417-H441 PolarHBondContact O-CE1 2.72Å; N418-H441 VanDerWaalsContact C-NE2 3.33Å; H441-G443 PolarHBondContact CE1-N 3.3Å; H441-G443 PolarHBondContact ND1-N 2.84Å; H441-G443 PolarHBondContact ND1-O 3.44Å; H441-T444 PolarHBondContact CE1-N 3.06Å; H441-T444 VanDerWaalsContact CE1-N 3.28Å; H441-T444 PolarHBondContact CE1-O 2.77Å; H441-T444 PolarHBondContact ND1-N 2.86Å; H441-P445 HydrophobicContact CB-CB 4.16Å; H441-P445 HydrophobicContact CB-CG 4.39Å; H441-Q577 PolarHBondContact O-NE2 2.99Å; H441-Q577 PolarHBondContact O-OE1 3.44Å; H441-K579 WeakPolarHBondContact O-CD 3.38Å; H441-K579 PolarHBondContact O-NZ 2.94Å; H441-M580 HydrophobicContact CB-SD 3.42Å; H441-M580 WeakPolarHBondContact CB-SD 3.43Å
442	F	96.8	Very high	98.5	Very high	29 Å²	29	28.9 Å²	28.9	13%	0.127	17%	0.171	C	C	.	.	S	Bend	trans	-96.4	-16.1	-173.9	-63.3	-81.3	0	0	0	114	L357 E358 I361 V417 Y421 V440	L357-F442 HydrophobicContact CB-CE1 3.88Å; L357-F442 HydrophobicContact CB-CZ 3.79Å; L357-F442 HydrophobicContact CD1-CZ 4.22Å; E358-F442 HydrophobicContact CG-CD1 3.95Å; E358-F442 HydrophobicContact CG-CE1 3.88Å; I361-F442 HydrophobicContact CD1-CD1 3.84Å; I361-F442 HydrophobicContact CD1-CD2 3.3Å; I361-F442 HydrophobicContact CD1-CE1 3.71Å; I361-F442 HydrophobicContact CD1-CE2 3.14Å; I361-F442 HydrophobicContact CD1-CG 3.65Å; I361-F442 HydrophobicContact CD1-CZ 3.36Å; I361-F442 HydrophobicContact CG2-CB 4.48Å; V417-F442 HydrophobicContact CB-CB 4.35Å; V417-F442 HydrophobicContact CG1-CB 4.11Å; Y421-F442 AromaticContact CD1-CE2 3.94Å; Y421-F442 HydrophobicContact CD1-CE2 3.94Å; Y421-F442 HydrophobicContact CD1-CZ 4.28Å; Y421-F442 HydrophobicContact CG-CE2 4.21Å; V440-F442 HydrophobicContact CG2-CE1 4.48Å; V440-F442 HydrophobicContact CG2-CE2 3.7Å; V440-F442 HydrophobicContact CG2-CZ 3.65Å
443	G	96.2	Very high	98.5	Very high	23 Å²	23	29 Å²	29	24%	0.237	17%	0.171	C	C	.	.	S	Bend	trans	-113.6	-128.9	168.7	0	0	0	0	0	112.1	V417 H441	V417-G443 WeakPolarHBondContact O-CA 3.31Å; V417-G443 PolarHBondContact O-N 2.81Å; H441-G443 PolarHBondContact CE1-N 3.3Å; H441-G443 PolarHBondContact ND1-N 2.84Å; H441-G443 PolarHBondContact ND1-O 3.44Å
444	T	97.6	Very high	98.5	Very high	131 Å²	131	29 Å²	29	80%	0.804	17%	0.171	S	C	*	.			trans	-105.5	110.4	179.4	-54	0	0	0	0	111.4	H441	H441-T444 PolarHBondContact CE1-N 3.06Å; H441-T444 VanDerWaalsContact CE1-N 3.28Å; H441-T444 PolarHBondContact CE1-O 2.77Å; H441-T444 PolarHBondContact ND1-N 2.86Å
445	P	98.3	Very high	98.5	Very high	14 Å²	14	30.3 Å²	30.3	9%	0.091	18%	0.177	C	C	.	.			trans	-69	148.5	175.4	28.7	-33.7	0	0	0	111	H441 E449 K450 M580	H441-P445 HydrophobicContact CB-CB 4.16Å; H441-P445 HydrophobicContact CB-CG 4.39Å; P445-E449 WeakPolarHBondContact CA-OE2 3.43Å; P445-E449 HydrophobicContact CB-CB 4.31Å; P445-K450 HydrophobicContact CB-CG 4.05Å; P445-K450 HydrophobicContact CG-CD 4.05Å; P445-K450 HydrophobicContact CG-CG 3.77Å; P445-M580 HydrophobicContact CB-SD 3.69Å; P445-M580 HydrophobicContact CG-SD 3.81Å
446	S	98.5	Very high	98.5	Very high	55 Å²	55	30.2 Å²	30.2	39%	0.385	18%	0.176	S	C	.	.			trans	-65.3	162.8	174.8	69.2	0	0	0	0	112.4	F448 E449 K450	S446-F448 VanDerWaalsContact C-N 3.27Å; S446-F448 PolarHBondContact O-N 3.39Å; S446-E449 WeakPolarHBondContact CB-OE2 3.44Å; S446-E449 PolarHBondContact N-OE2 2.67Å; S446-E449 PolarHBondContact O-N 3.45Å; S446-E449 WeakPolarHBondContact OG-CB 3.36Å; S446-E449 VanDerWaalsContact OG-CG 3.22Å; S446-E449 WeakPolarHBondContact OG-CG 3.5Å; S446-E449 PolarHBondContact OG-N 3.16Å; S446-E449 PolarHBondContact OG-OE2 3.05Å; S446-K450 WeakPolarHBondContact O-CG 3.43Å; S446-K450 PolarHBondContact O-N 3.34Å; S446-K450 VanDerWaalsContact O-N 3.09Å
447	A	98.4	Very high	98.5	Very high	87 Å²	87	30 Å²	30	72%	0.719	18%	0.175	S	C	*	.	H	α-helix	trans	-59.2	-39.7	176.9	0	0	0	0	0	112.2	K450 E451	A447-K450 PolarHBondContact O-N 2.67Å; A447-E451 WeakPolarHBondContact O-CB 3.31Å; A447-E451 PolarHBondContact O-N 3.12Å
448	F	98.6	Very high	98.5	Very high	84 Å²	84	31.1 Å²	31.1	37%	0.368	18%	0.179	S	C	.	.	H	α-helix	trans	-71.3	-42.6	-179.3	-173.2	-122.9	0	0	0	112.3	S446 K450 E451 C452 Y535 E537 F541	S446-F448 VanDerWaalsContact C-N 3.27Å; S446-F448 PolarHBondContact O-N 3.39Å; F448-K450 VanDerWaalsContact C-N 3.28Å; F448-K450 PolarHBondContact O-N 3.42Å; F448-E451 PolarHBondContact O-N 2.95Å; F448-C452 VanDerWaalsContact CE2-SG 3.6Å; F448-C452 PolarHBondContact O-N 2.87Å; F448-C452 PolarHBondContact O-SG 3.11Å; F448-C452 VanDerWaalsContact O-SG 3.41Å; F448-Y535 HydrophobicContact CZ-CE1 4.37Å; F448-E537 HydrophobicContact CE1-CG 4.24Å; F448-F541 AromaticContact CD1-CE1 3.84Å; F448-F541 HydrophobicContact CD1-CE1 3.84Å; F448-F541 AromaticContact CD1-CZ 3.77Å; F448-F541 HydrophobicContact CD1-CZ 3.77Å; F448-F541 HydrophobicContact CE1-CE1 4.17Å; F448-F541 AromaticContact CE1-CZ 3.89Å; F448-F541 HydrophobicContact CE1-CZ 3.89Å
449	E	98.8	Very high	98.5	Very high	22 Å²	22	30.9 Å²	30.9	10%	0.103	18%	0.179	C	C	.	.	H	α-helix	trans	-57.9	-42.4	172.9	-73.8	160.7	154.2	0	0	111.4	V420 P445 S446 F453 F541	V420-E449 HydrophobicContact CG2-CB 4.34Å; V420-E449 HydrophobicContact CG2-CG 3.86Å; V420-E449 WeakPolarHBondContact CG2-OE1 3.29Å; P445-E449 WeakPolarHBondContact CA-OE2 3.43Å; P445-E449 HydrophobicContact CB-CB 4.31Å; S446-E449 WeakPolarHBondContact CB-OE2 3.44Å; S446-E449 PolarHBondContact N-OE2 2.67Å; S446-E449 PolarHBondContact O-N 3.45Å; S446-E449 WeakPolarHBondContact OG-CB 3.36Å; S446-E449 VanDerWaalsContact OG-CG 3.22Å; S446-E449 WeakPolarHBondContact OG-CG 3.5Å; S446-E449 PolarHBondContact OG-N 3.16Å; S446-E449 PolarHBondContact OG-OE2 3.05Å; E449-F453 WeakPolarHBondContact O-CB 3.5Å; E449-F453 PolarHBondContact O-N 2.67Å; E449-F541 HydrophobicContact CB-CE1 4.46Å; E449-F541 HydrophobicContact CB-CZ 4.45Å; E449-F541 HydrophobicContact CG-CD1 3.51Å; E449-F541 HydrophobicContact CG-CD2 4.36Å; E449-F541 HydrophobicContact CG-CE1 3.44Å; E449-F541 VanDerWaalsContact CG-CE1 3.44Å; E449-F541 HydrophobicContact CG-CE2 4.28Å; E449-F541 HydrophobicContact CG-CG 4.02Å; E449-F541 HydrophobicContact CG-CZ 3.85Å
450	K	98.9	Very high	98.5	Very high	64 Å²	64	30.8 Å²	30.8	28%	0.278	18%	0.178	S	C	.	.	H	α-helix	trans	-66.9	-39.5	176.8	-68.5	-176.9	69.6	172	0	112.9	P445 S446 A447 F448 T454 K579 M580 M581 N582	P445-K450 HydrophobicContact CB-CG 4.05Å; P445-K450 HydrophobicContact CG-CD 4.05Å; P445-K450 HydrophobicContact CG-CG 3.77Å; S446-K450 WeakPolarHBondContact O-CG 3.43Å; S446-K450 PolarHBondContact O-N 3.34Å; S446-K450 VanDerWaalsContact O-N 3.09Å; A447-K450 PolarHBondContact O-N 2.67Å; F448-K450 VanDerWaalsContact C-N 3.28Å; F448-K450 PolarHBondContact O-N 3.42Å; K450-T454 VanDerWaalsContact O-CB 3.31Å; K450-T454 WeakPolarHBondContact O-CB 3.23Å; K450-T454 PolarHBondContact O-N 3.1Å; K450-T454 PolarHBondContact O-OG1 2.63Å; K450-K579 VanDerWaalsContact CE-O 3.26Å; K450-K579 WeakPolarHBondContact CE-O 3.19Å; K450-M580 VanDerWaalsContact CA-O 3.26Å; K450-M580 WeakPolarHBondContact CA-O 3.37Å; K450-M581 VanDerWaalsContact CE-C 3.48Å; K450-M581 WeakPolarHBondContact CE-O 3.49Å; K450-M581 PolarHBondContact NZ-O 3.37Å; K450-N582 HydrophobicContact CB-CB 4.49Å
451	E	98.8	Very high	98.5	Very high	72 Å²	72	30.5 Å²	30.5	34%	0.336	18%	0.176	S	C	.	.	H	α-helix	trans	-61.9	-55	177.6	179.8	169.3	-135.4	0	0	110.8	A447 F448 F453 T454 Y455	A447-E451 WeakPolarHBondContact O-CB 3.31Å; A447-E451 PolarHBondContact O-N 3.12Å; F448-E451 PolarHBondContact O-N 2.95Å; E451-F453 VanDerWaalsContact C-N 3.34Å; E451-F453 PolarHBondContact O-N 3.32Å; E451-T454 PolarHBondContact O-N 2.9Å; E451-T454 VanDerWaalsContact O-N 3.11Å; E451-Y455 HydrophobicContact CG-CD2 4.29Å; E451-Y455 HydrophobicContact CG-CE1 4.3Å; E451-Y455 HydrophobicContact CG-CE2 3.53Å; E451-Y455 PolarHBondContact O-N 2.63Å; E451-Y455 PolarHBondContact OE1-OH 3.09Å; E451-Y455 VanDerWaalsContact OE1-OH 3.04Å
452	C	98.9	Very high	98.5	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-58.1	-44.2	176.4	-65.2	0	0	0	0	111.9	F448 T454 Y455 V456 Y535 F541 I543	F448-C452 VanDerWaalsContact CE2-SG 3.6Å; F448-C452 PolarHBondContact O-N 2.87Å; F448-C452 PolarHBondContact O-SG 3.11Å; F448-C452 VanDerWaalsContact O-SG 3.41Å; C452-T454 VanDerWaalsContact C-N 3.26Å; C452-T454 PolarHBondContact O-N 2.81Å; C452-Y455 PolarHBondContact O-N 2.73Å; C452-V456 WeakPolarHBondContact O-CG2 3.16Å; C452-V456 PolarHBondContact O-N 3.41Å; C452-Y535 HydrophobicContact CB-CD1 3.65Å; C452-Y535 HydrophobicContact CB-CE1 4.16Å; C452-Y535 HydrophobicContact CB-CG 4.36Å; C452-Y535 VanDerWaalsContact SG-CD1 3.59Å; C452-Y535 WeakPolarHBondContact SG-CE1 3.39Å; C452-F541 HydrophobicContact CB-CE2 4.18Å; C452-F541 HydrophobicContact CB-CZ 4.41Å; C452-I543 HydrophobicContact CB-CD1 3.68Å
453	F	98.9	Very high	98.6	Very high	1 Å²	1	31 Å²	31	0%	0.004	19%	0.186	C	C	.	.	H	α-helix	trans	-61.2	-39.5	178.1	-177.6	-83.7	0	0	0	111.7	T439 E449 E451 V456 L457 I543 I545 I576 M580 M581	T439-F453 WeakPolarHBondContact O-CE2 3.44Å; E449-F453 WeakPolarHBondContact O-CB 3.5Å; E449-F453 PolarHBondContact O-N 2.67Å; E451-F453 VanDerWaalsContact C-N 3.34Å; E451-F453 PolarHBondContact O-N 3.32Å; F453-V456 PolarHBondContact O-N 3.46Å; F453-L457 HydrophobicContact CE1-CD2 4.35Å; F453-L457 WeakPolarHBondContact O-CB 3.44Å; F453-L457 PolarHBondContact O-N 2.95Å; F453-I543 HydrophobicContact CB-CD1 3.92Å; F453-I543 HydrophobicContact CB-CG2 4.43Å; F453-I543 HydrophobicContact CD2-CG2 3.71Å; F453-I543 HydrophobicContact CE2-CG2 4.43Å; F453-I543 HydrophobicContact CG-CG2 4.39Å; F453-I545 HydrophobicContact CD1-CD1 4.39Å; F453-I545 HydrophobicContact CD2-CD1 4.26Å; F453-I545 HydrophobicContact CE1-CD1 3.91Å; F453-I545 HydrophobicContact CE2-CD1 3.77Å; F453-I545 HydrophobicContact CE2-CG1 4.09Å; F453-I545 HydrophobicContact CZ-CD1 3.59Å; F453-I545 HydrophobicContact CZ-CG1 4.27Å; F453-I576 HydrophobicContact CE1-CG2 4.06Å; F453-I576 HydrophobicContact CZ-CG2 3.67Å; F453-M580 HydrophobicContact CB-CB 4.3Å; F453-M580 HydrophobicContact CB-CE 4.17Å; F453-M580 HydrophobicContact CD1-CB 3.49Å; F453-M580 VanDerWaalsContact CD1-CB 3.49Å; F453-M580 WeakPolarHBondContact CD1-O 3.43Å; F453-M580 HydrophobicContact CD2-CB 3.69Å; F453-M580 HydrophobicContact CD2-CE 3.82Å; F453-M580 HydrophobicContact CD2-CG 4.19Å; F453-M580 HydrophobicContact CE1-CB 3.57Å; F453-M580 HydrophobicContact CE2-CB 3.76Å; F453-M580 HydrophobicContact CE2-CG 4.13Å; F453-M580 HydrophobicContact CG-CB 3.56Å; F453-M580 HydrophobicContact CG-CE 4.18Å; F453-M580 HydrophobicContact CG-CG 4.49Å; F453-M580 HydrophobicContact CZ-CB 3.69Å; F453-M580 HydrophobicContact CZ-CG 4.39Å; F453-M581 HydrophobicContact CD1-CG 4.37Å; F453-M581 HydrophobicContact CE1-CG 3.96Å
454	T	98.9	Very high	98.7	Very high	0 Å²	0	30 Å²	30	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-69.9	-36.7	179.5	-53.9	0	0	0	0	111.5	K450 E451 C452 L457 K458 N582 L585 L586	K450-T454 VanDerWaalsContact O-CB 3.31Å; K450-T454 WeakPolarHBondContact O-CB 3.23Å; K450-T454 PolarHBondContact O-N 3.1Å; K450-T454 PolarHBondContact O-OG1 2.63Å; E451-T454 PolarHBondContact O-N 2.9Å; E451-T454 VanDerWaalsContact O-N 3.11Å; C452-T454 VanDerWaalsContact C-N 3.26Å; C452-T454 PolarHBondContact O-N 2.81Å; T454-L457 PolarHBondContact O-N 3.05Å; T454-K458 HydrophobicContact CG2-CD 4.43Å; T454-K458 WeakPolarHBondContact O-CB 3.34Å; T454-K458 WeakPolarHBondContact O-CG 3.16Å; T454-K458 PolarHBondContact O-N 3.27Å; T454-N582 PolarHBondContact OG1-N 3.1Å; T454-L585 HydrophobicContact CG2-CB 3.86Å; T454-L585 HydrophobicContact CG2-CD1 4.24Å; T454-L586 HydrophobicContact CG2-CD2 3.77Å; T454-L586 HydrophobicContact CG2-CG 4.23Å
455	Y	98.9	Very high	98.8	Very high	29 Å²	29	24.9 Å²	24.9	11%	0.114	15%	0.146	C	C	.	.	H	α-helix	trans	-64	-43.2	172.9	-61.4	-28	0	0	0	112.5	E451 C452 K458 G459 T484 L485 S488 L490 L585	E451-Y455 HydrophobicContact CG-CD2 4.29Å; E451-Y455 HydrophobicContact CG-CE1 4.3Å; E451-Y455 HydrophobicContact CG-CE2 3.53Å; E451-Y455 PolarHBondContact O-N 2.63Å; E451-Y455 PolarHBondContact OE1-OH 3.09Å; E451-Y455 VanDerWaalsContact OE1-OH 3.04Å; C452-Y455 PolarHBondContact O-N 2.73Å; Y455-K458 PolarHBondContact O-N 3.3Å; Y455-G459 PolarHBondContact O-N 3.43Å; Y455-T484 PolarHBondContact O-OG1 3.37Å; Y455-L485 HydrophobicContact CD2-CD2 4.18Å; Y455-L485 HydrophobicContact CG-CD2 4.43Å; Y455-S488 WeakPolarHBondContact CE2-OG 3.33Å; Y455-S488 PolarHBondContact OH-OG 2.82Å; Y455-S488 VanDerWaalsContact OH-OG 3.05Å; Y455-L490 HydrophobicContact CD2-CD1 4.32Å; Y455-L490 HydrophobicContact CE2-CD1 4.5Å; Y455-L585 HydrophobicContact CE1-CD1 4.13Å
456	V	98.9	Very high	98.8	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-61.2	-45.8	174.5	172.9	0	0	0	0	110.7	C452 F453 K458 G459 H460 L485 P533 I543 I545	C452-V456 WeakPolarHBondContact O-CG2 3.16Å; C452-V456 PolarHBondContact O-N 3.41Å; F453-V456 PolarHBondContact O-N 3.46Å; V456-K458 VanDerWaalsContact C-N 3.35Å; V456-K458 PolarHBondContact O-N 3.46Å; V456-G459 PolarHBondContact O-N 3.5Å; V456-H460 PolarHBondContact O-N 3.34Å; V456-L485 HydrophobicContact CG2-CD1 4.46Å; V456-P533 HydrophobicContact CG1-CB 4.22Å; V456-P533 HydrophobicContact CG1-CG 4.17Å; V456-P533 WeakPolarHBondContact CG1-O 3.45Å; V456-I543 HydrophobicContact CB-CG2 4.13Å; V456-I543 HydrophobicContact CG1-CG2 4.12Å; V456-I543 HydrophobicContact CG2-CG2 4.1Å; V456-I545 HydrophobicContact CG1-CB 4.17Å; V456-I545 HydrophobicContact CG1-CD1 4.04Å; V456-I545 HydrophobicContact CG1-CG1 3.9Å
457	L	98.9	Very high	98.8	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-60.8	-42	176.9	178.5	59.9	0	0	0	112.2	F453 T454 G459 H460 I461 I545 I576 M581 L586 V594	F453-L457 HydrophobicContact CE1-CD2 4.35Å; F453-L457 WeakPolarHBondContact O-CB 3.44Å; F453-L457 PolarHBondContact O-N 2.95Å; T454-L457 PolarHBondContact O-N 3.05Å; L457-G459 VanDerWaalsContact C-N 3.32Å; L457-G459 PolarHBondContact O-N 3.12Å; L457-H460 PolarHBondContact O-N 3.26Å; L457-I461 HydrophobicContact CD1-CD1 3.92Å; L457-I461 HydrophobicContact CD1-CG1 4.1Å; L457-I461 HydrophobicContact CG-CD1 3.84Å; L457-I461 HydrophobicContact CG-CG1 4.41Å; L457-I461 VanDerWaalsContact O-CG1 3.23Å; L457-I461 WeakPolarHBondContact O-CG1 3.07Å; L457-I461 PolarHBondContact O-N 3.04Å; L457-I545 HydrophobicContact CB-CD1 3.77Å; L457-I545 HydrophobicContact CD1-CD1 4.14Å; L457-I576 HydrophobicContact CD1-CD1 3.98Å; L457-I576 HydrophobicContact CD1-CG2 4.16Å; L457-M581 HydrophobicContact CD2-CE 3.73Å; L457-M581 HydrophobicContact CD2-CG 3.76Å; L457-M581 HydrophobicContact CD2-SD 3.76Å; L457-L586 HydrophobicContact CD2-CD2 4.5Å; L457-V594 HydrophobicContact CD2-CG2 4.39Å
458	K	98.9	Very high	98.8	Very high	23 Å²	23	23.1 Å²	23.1	10%	0.1	12%	0.12	C	C	.	.	H	α-helix	trans	-61.2	-43.1	175.7	-75.1	173.8	150.3	-70.4	0	111.7	T454 Y455 V456 I461 A462 T484 L585 L586 E590	T454-K458 HydrophobicContact CG2-CD 4.43Å; T454-K458 WeakPolarHBondContact O-CB 3.34Å; T454-K458 WeakPolarHBondContact O-CG 3.16Å; T454-K458 PolarHBondContact O-N 3.27Å; Y455-K458 PolarHBondContact O-N 3.3Å; V456-K458 VanDerWaalsContact C-N 3.35Å; V456-K458 PolarHBondContact O-N 3.46Å; K458-I461 PolarHBondContact O-N 3.27Å; K458-A462 VanDerWaalsContact O-CB 3.3Å; K458-A462 WeakPolarHBondContact O-CB 3.3Å; K458-A462 PolarHBondContact O-N 2.84Å; K458-T484 HydrophobicContact CB-CG2 3.93Å; K458-T484 HydrophobicContact CD-CG2 3.96Å; K458-L585 WeakPolarHBondContact CE-O 3.38Å; K458-L585 PolarHBondContact NZ-O 3.34Å; K458-L586 HydrophobicContact CG-CD2 4.05Å; K458-E590 WeakPolarHBondContact CG-OE1 3.48Å; K458-E590 IonicContact NZ-OE1 3.59Å; K458-E590 PolarHBondContact NZ-OE1 3.27Å; K458-E590 IonicContact NZ-OE2 3.53Å; K458-E590 PolarHBondContact NZ-OE2 2.94Å
459	G	98.9	Very high	98.8	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-59.1	-47.3	174.1	0	0	0	0	0	112.6	Y455 V456 L457 I461 A462 V463 A481	Y455-G459 PolarHBondContact O-N 3.43Å; V456-G459 PolarHBondContact O-N 3.5Å; L457-G459 VanDerWaalsContact C-N 3.32Å; L457-G459 PolarHBondContact O-N 3.12Å; G459-I461 PolarHBondContact O-N 3.26Å; G459-A462 WeakPolarHBondContact O-CB 3.18Å; G459-A462 PolarHBondContact O-N 2.76Å; G459-V463 PolarHBondContact O-N 2.67Å; G459-V463 VanDerWaalsContact O-N 3.13Å; G459-A481 WeakPolarHBondContact CA-O 3.14Å
460	H	98.9	Very high	98.6	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-59	-48.4	176.7	-178.7	85.7	0	0	0	111.1	V456 L457 A462 V463 S464 D531 P533 I545 N547 W593	V456-H460 PolarHBondContact O-N 3.34Å; L457-H460 PolarHBondContact O-N 3.26Å; H460-A462 VanDerWaalsContact C-N 3.3Å; H460-A462 PolarHBondContact O-N 2.83Å; H460-V463 PolarHBondContact O-N 3.44Å; H460-S464 VanDerWaalsContact O-CB 3.32Å; H460-S464 WeakPolarHBondContact O-CB 3.38Å; H460-S464 PolarHBondContact O-N 3.04Å; H460-D531 PolarHBondContact CE1-O 2.85Å; H460-D531 IonicContact CE1-OD2 3.56Å; H460-D531 IonicContact CG-OD2 3.5Å; H460-D531 PolarHBondContact ND1-O 3.18Å; H460-D531 IonicContact ND1-OD1 3.78Å; H460-D531 IonicContact ND1-OD2 2.79Å; H460-D531 PolarHBondContact ND1-OD2 2.97Å; H460-P533 HydrophobicContact CB-CG 3.73Å; H460-I545 PolarHBondContact ND1-O 2.92Å; H460-N547 PolarHBondContact CE1-ND2 2.92Å; H460-N547 PolarHBondContact NE2-ND2 3.3Å; H460-W593 AromaticContact CD2-CH2 3.74Å; H460-W593 AromaticContact NE2-CH2 3.76Å
461	I	98.9	Very high	98.3	Very high	5 Å²	5	21.9 Å²	21.9	3%	0.026	13%	0.13	C	C	.	.	H	α-helix	trans	-62.7	-39.3	177.8	-65.1	170.6	0	0	0	111.1	L457 K458 G459 V463 S464 A465 E590 W593 V594	L457-I461 HydrophobicContact CD1-CD1 3.92Å; L457-I461 HydrophobicContact CD1-CG1 4.1Å; L457-I461 HydrophobicContact CG-CD1 3.84Å; L457-I461 HydrophobicContact CG-CG1 4.41Å; L457-I461 VanDerWaalsContact O-CG1 3.23Å; L457-I461 WeakPolarHBondContact O-CG1 3.07Å; L457-I461 PolarHBondContact O-N 3.04Å; K458-I461 PolarHBondContact O-N 3.27Å; G459-I461 PolarHBondContact O-N 3.26Å; I461-V463 VanDerWaalsContact C-N 3.32Å; I461-V463 PolarHBondContact O-N 3.09Å; I461-S464 PolarHBondContact O-N 3.36Å; I461-A465 HydrophobicContact CG2-CB 4.43Å; I461-A465 WeakPolarHBondContact O-CB 3.31Å; I461-A465 PolarHBondContact O-N 2.73Å; I461-E590 HydrophobicContact CD1-CB 3.92Å; I461-E590 HydrophobicContact CD1-CG 4.21Å; I461-E590 HydrophobicContact CG2-CB 4.48Å; I461-E590 HydrophobicContact CG2-CG 3.98Å; I461-W593 HydrophobicContact CB-CD2 4.47Å; I461-W593 HydrophobicContact CD1-CD2 4.47Å; I461-W593 HydrophobicContact CD1-CE3 3.87Å; I461-W593 HydrophobicContact CD1-CZ3 4.39Å; I461-W593 HydrophobicContact CG1-CD2 3.88Å; I461-W593 HydrophobicContact CG1-CE3 3.5Å; I461-W593 VanDerWaalsContact CG1-CE3 3.5Å; I461-W593 HydrophobicContact CG1-CG 4.46Å; I461-W593 HydrophobicContact CG1-CH2 4.43Å; I461-W593 HydrophobicContact CG1-CZ3 3.81Å; I461-W593 HydrophobicContact CG2-CB 4.02Å; I461-W593 HydrophobicContact CG2-CD2 4.08Å; I461-W593 HydrophobicContact CG2-CG 3.84Å; I461-V594 HydrophobicContact CD1-CG2 3.84Å
462	A	98.9	Very high	98.3	Very high	41 Å²	41	19.3 Å²	19.3	34%	0.339	12%	0.119	S	C	.	.	H	α-helix	trans	-62.3	-39.6	-179.2	0	0	0	0	0	112.1	K458 G459 H460 A466 F480	K458-A462 VanDerWaalsContact O-CB 3.3Å; K458-A462 WeakPolarHBondContact O-CB 3.3Å; K458-A462 PolarHBondContact O-N 2.84Å; G459-A462 WeakPolarHBondContact O-CB 3.18Å; G459-A462 PolarHBondContact O-N 2.76Å; H460-A462 VanDerWaalsContact C-N 3.3Å; H460-A462 PolarHBondContact O-N 2.83Å; A462-A466 PolarHBondContact O-N 3.21Å; A462-F480 HydrophobicContact CB-CB 4.14Å; A462-F480 WeakPolarHBondContact CB-O 3.05Å
463	V	98.9	Very high	98.3	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-71.5	-56.8	173	173.8	0	0	0	0	110.6	G459 H460 I461 A465 A466 F480 A481 T496 I513 D531 F568	G459-V463 PolarHBondContact O-N 2.67Å; G459-V463 VanDerWaalsContact O-N 3.13Å; H460-V463 PolarHBondContact O-N 3.44Å; I461-V463 VanDerWaalsContact C-N 3.32Å; I461-V463 PolarHBondContact O-N 3.09Å; V463-A465 VanDerWaalsContact C-N 3.26Å; V463-A465 PolarHBondContact O-N 2.87Å; V463-A466 WeakPolarHBondContact O-CB 3.5Å; V463-A466 PolarHBondContact O-N 3.07Å; V463-F480 HydrophobicContact CG2-CB 4.06Å; V463-A481 HydrophobicContact CG2-CB 3.73Å; V463-T496 HydrophobicContact CG2-CG2 4.06Å; V463-I513 HydrophobicContact CG1-CD1 3.92Å; V463-D531 HydrophobicContact CG1-CB 4.22Å; V463-F568 HydrophobicContact CG1-CE2 4.14Å; V463-F568 VanDerWaalsContact O-CD2 3.26Å; V463-F568 WeakPolarHBondContact O-CD2 3.34Å
464	S	98.7	Very high	98.2	Very high	2 Å²	2	21.6 Å²	21.6	1%	0.014	13%	0.129	C	C	.	.	H	α-helix	trans	-57.6	-35.4	-175.4	-157.9	0	0	0	0	113.8	H460 I461 D531 W593	H460-S464 VanDerWaalsContact O-CB 3.32Å; H460-S464 WeakPolarHBondContact O-CB 3.38Å; H460-S464 PolarHBondContact O-N 3.04Å; I461-S464 PolarHBondContact O-N 3.36Å; S464-D531 WeakPolarHBondContact CB-OD2 3.38Å; S464-D531 PolarHBondContact N-OD2 3.3Å; S464-W593 WeakPolarHBondContact OG-CZ2 3.37Å
465	A	98.6	Very high	98.2	Very high	23 Å²	23	23 Å²	23	19%	0.19	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	4.2	179.4	0	0	0	0	0	114.2	I461 V463	I461-A465 HydrophobicContact CG2-CB 4.43Å; I461-A465 WeakPolarHBondContact O-CB 3.31Å; I461-A465 PolarHBondContact O-N 2.73Å; V463-A465 VanDerWaalsContact C-N 3.26Å; V463-A465 PolarHBondContact O-N 2.87Å
466	A	98.8	Very high	98.2	Very high	11 Å²	11	26.3 Å²	26.3	9%	0.091	16%	0.155	C	C	.	.			trans	-66.3	134.9	-179.6	0	0	0	0	0	111.3	A462 V463 F468 F480 T567	A462-A466 PolarHBondContact O-N 3.21Å; V463-A466 WeakPolarHBondContact O-CB 3.5Å; V463-A466 PolarHBondContact O-N 3.07Å; A466-F468 HydrophobicContact CB-CD1 4.15Å; A466-F480 HydrophobicContact CB-CD2 4.21Å; A466-F480 HydrophobicContact CB-CE2 4.21Å; A466-T567 WeakPolarHBondContact O-CA 3.25Å; A466-T567 PolarHBondContact O-OG1 3.48Å
467	I	98.6	Very high	98.2	Very high	100 Å²	100	26.4 Å²	26.4	51%	0.513	16%	0.156	S	C	.	.			trans	-110	121.1	167.3	-60.4	174	0	0	0	107.6	A554 P556 L566	I467-A554 HydrophobicContact CG2-CB 3.94Å; I467-P556 HydrophobicContact CG2-CB 4.33Å; I467-P556 HydrophobicContact CG2-CG 4.35Å; I467-L566 WeakPolarHBondContact CA-O 3.38Å
468	F	98.5	Very high	98.2	Very high	9 Å²	9	26.6 Å²	26.6	4%	0.039	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	155.4	-173.2	50.7	-86.8	0	0	0	111.9	A466 T472 L477 L523 V551 S565 L566 F568	A466-F468 HydrophobicContact CB-CD1 4.15Å; F468-T472 HydrophobicContact CB-CG2 4.49Å; F468-L477 HydrophobicContact CB-CD2 4.43Å; F468-L477 HydrophobicContact CD1-CD1 4.11Å; F468-L477 HydrophobicContact CD1-CD2 4.3Å; F468-L477 HydrophobicContact CE1-CD1 3.98Å; F468-L477 HydrophobicContact CG-CD1 4.47Å; F468-L477 HydrophobicContact CG-CD2 4.38Å; F468-L477 HydrophobicContact CZ-CD1 4.18Å; F468-L523 HydrophobicContact CE2-CB 4.1Å; F468-L523 HydrophobicContact CE2-CD1 3.91Å; F468-L523 HydrophobicContact CZ-CD1 4Å; F468-V551 HydrophobicContact CZ-CG1 4.44Å; F468-S565 CarbonylContact O-C 3.59Å; F468-S565 VanDerWaalsContact O-CA 3.23Å; F468-S565 WeakPolarHBondContact O-CA 3.32Å; F468-S565 WeakPolarHBondContact O-CB 3.48Å; F468-L566 HydrophobicContact CD2-CB 3.94Å; F468-L566 HydrophobicContact CD2-CD1 4.45Å; F468-L566 HydrophobicContact CE1-CB 4.49Å; F468-L566 HydrophobicContact CE2-CB 3.5Å; F468-L566 VanDerWaalsContact CE2-CB 3.5Å; F468-L566 HydrophobicContact CE2-CD1 3.88Å; F468-L566 HydrophobicContact CE2-CG 4.3Å; F468-L566 HydrophobicContact CZ-CB 3.81Å; F468-L566 PolarHBondContact N-O 3.03Å; F468-L566 PolarHBondContact O-N 3.38Å; F468-F568 HydrophobicContact CD1-CE2 4.4Å; F468-F568 AromaticContact CE1-CD2 3.91Å; F468-F568 HydrophobicContact CE1-CD2 3.91Å; F468-F568 AromaticContact CE1-CE2 3.38Å; F468-F568 HydrophobicContact CE1-CE2 3.38Å; F468-F568 AromaticContact CE1-CZ 3.73Å; F468-F568 HydrophobicContact CE1-CZ 3.73Å; F468-F568 HydrophobicContact CZ-CD2 4.48Å; F468-F568 HydrophobicContact CZ-CE1 4.18Å; F468-F568 AromaticContact CZ-CE2 3.84Å; F468-F568 HydrophobicContact CZ-CE2 3.84Å; F468-F568 AromaticContact CZ-CZ 3.67Å; F468-F568 HydrophobicContact CZ-CZ 3.67Å
469	P	97.9	Very high	98.2	Very high	56 Å²	56	28.2 Å²	28.2	36%	0.364	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	147.3	177.1	-22.9	33.9	0	0	0	112.7	G471 T472	P469-G471 PolarHBondContact O-N 2.94Å; P469-T472 WeakPolarHBondContact O-CB 3.44Å; P469-T472 PolarHBondContact O-N 3.39Å; P469-T472 PolarHBondContact O-OG1 3.48Å
470	N	95.9	Very high	98.2	Very high	60 Å²	60	32.9 Å²	32.9	32%	0.321	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	135.5	172.2	-171.2	2.6	0	0	0	111.3	R563 G564 L566	N470-R563 WeakPolarHBondContact CB-O 3.42Å; N470-R563 PolarHBondContact O-NE 3.18Å; N470-R563 PolarHBondContact O-NH2 3.01Å; N470-G564 PolarHBondContact N-O 3.44Å; N470-L566 HydrophobicContact CB-CD1 4.28Å; N470-L566 HydrophobicContact CB-CG 4.27Å
471	G	92.1	Very high	98.2	Very high	27 Å²	27	32.9 Å²	32.9	28%	0.278	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.6	22.8	-175.4	0	0	0	0	0	114.1	P469 L523 R563	P469-G471 PolarHBondContact O-N 2.94Å; G471-L523 PolarHBondContact N-O 3.13Å; G471-R563 PolarHBondContact O-NH2 3.43Å
472	T	98.1	Very high	98.2	Very high	18 Å²	18	32.7 Å²	32.7	11%	0.11	19%	0.19	C	C	.	.			trans	-77	132.3	165.4	-59.1	0	0	0	0	108.2	F468 P469 L476 L523	F468-T472 HydrophobicContact CB-CG2 4.49Å; P469-T472 WeakPolarHBondContact O-CB 3.44Å; P469-T472 PolarHBondContact O-N 3.39Å; P469-T472 PolarHBondContact O-OG1 3.48Å; T472-L476 HydrophobicContact CG2-CB 4.16Å; T472-L476 HydrophobicContact CG2-CD1 3.85Å; T472-L523 WeakPolarHBondContact O-CB 3.47Å; T472-L523 PolarHBondContact O-N 3.29Å
473	K	98.5	Very high	98.1	Very high	50 Å²	50	32.6 Å²	32.6	22%	0.217	19%	0.19	C	C	.	.	B	Isolated β-bridge	trans	-71.2	145.4	174.5	-73.3	-178.4	170.4	-126.4	0	110.8	H475 L476 F518 D520 P522	K473-H475 PolarHBondContact O-N 3.22Å; K473-L476 HydrophobicContact CB-CD1 4.33Å; K473-L476 HydrophobicContact CB-CG 4.48Å; K473-L476 WeakPolarHBondContact O-CB 3.27Å; K473-L476 PolarHBondContact O-N 3.32Å; K473-F518 PolarHBondContact NZ-O 2.69Å; K473-D520 WeakPolarHBondContact CB-OD2 3.06Å; K473-D520 VanDerWaalsContact CE-O 3.31Å; K473-D520 WeakPolarHBondContact CE-O 3.04Å; K473-D520 PolarHBondContact NZ-O 3Å; K473-P522 HydrophobicContact CG-CG 4.43Å
474	G	98.4	Very high	98.1	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-68	-32.2	-175	0	0	0	0	0	113.1	L476 L477 G512 I513 D520	G474-L476 PolarHBondContact O-N 2.86Å; G474-L477 WeakPolarHBondContact O-CB 3.26Å; G474-L477 PolarHBondContact O-N 3.37Å; G474-G512 CarbonylContact C-O 3.41Å; G474-G512 WeakPolarHBondContact CA-O 3.47Å; G474-I513 WeakPolarHBondContact O-CG2 3.21Å; G474-D520 WeakPolarHBondContact CA-OD2 3.42Å; G474-D520 PolarHBondContact N-OD2 3.1Å
475	H	98.4	Very high	98.1	Very high	28 Å²	28	33.7 Å²	33.7	13%	0.13	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-57.6	-25.5	175.6	77.1	-97.6	0	0	0	113.7	K473 L477 D478 S514 T517 F518 D520	K473-H475 PolarHBondContact O-N 3.22Å; H475-L477 PolarHBondContact O-N 2.77Å; H475-D478 WeakPolarHBondContact O-CB 3.48Å; H475-D478 PolarHBondContact O-N 3.16Å; H475-S514 VanDerWaalsContact CB-O 3.28Å; H475-S514 WeakPolarHBondContact CB-O 3.05Å; H475-T517 VanDerWaalsContact CB-O 3.31Å; H475-T517 WeakPolarHBondContact CB-O 3.44Å; H475-F518 AromaticContact CE1-CD2 3.32Å; H475-F518 WeakPolarHBondContact CE1-CD2 3.45Å; H475-F518 AromaticContact CE1-CE2 3.56Å; H475-F518 AromaticContact NE2-CD2 3.26Å; H475-F518 VanDerWaalsContact NE2-CD2 3.26Å; H475-F518 WeakPolarHBondContact NE2-CD2 3.48Å; H475-F518 AromaticContact NE2-CE2 3.48Å; H475-F518 WeakPolarHBondContact NE2-CE2 3.47Å; H475-D520 IonicContact CE1-OD1 3.62Å; H475-D520 IonicContact CG-OD1 2.7Å; H475-D520 PolarHBondContact N-OD2 3.38Å; H475-D520 IonicContact ND1-OD1 3.4Å; H475-D520 PolarHBondContact ND1-OD1 2.82Å; H475-D520 IonicContact ND1-OD2 2.63Å
476	L	98.7	Very high	98.1	Very high	99 Å²	99	38.5 Å²	38.5	52%	0.518	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-70.1	-13.2	177.5	-63.5	171.2	0	0	0	112.9	T472 K473 G474	T472-L476 HydrophobicContact CG2-CB 4.16Å; T472-L476 HydrophobicContact CG2-CD1 3.85Å; K473-L476 HydrophobicContact CB-CD1 4.33Å; K473-L476 HydrophobicContact CB-CG 4.48Å; K473-L476 WeakPolarHBondContact O-CB 3.27Å; K473-L476 PolarHBondContact O-N 3.32Å; G474-L476 PolarHBondContact O-N 2.86Å
477	L	98.7	Very high	98.1	Very high	3 Å²	3	45.6 Å²	45.6	2%	0.016	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-98	-13.1	178	-51.1	178.1	0	0	0	112.2	F468 G474 H475 S479 F480 I513 L523 F568	F468-L477 HydrophobicContact CB-CD2 4.43Å; F468-L477 HydrophobicContact CD1-CD1 4.11Å; F468-L477 HydrophobicContact CD1-CD2 4.3Å; F468-L477 HydrophobicContact CE1-CD1 3.98Å; F468-L477 HydrophobicContact CG-CD1 4.47Å; F468-L477 HydrophobicContact CG-CD2 4.38Å; F468-L477 HydrophobicContact CZ-CD1 4.18Å; G474-L477 WeakPolarHBondContact O-CB 3.26Å; G474-L477 PolarHBondContact O-N 3.37Å; H475-L477 PolarHBondContact O-N 2.77Å; L477-S479 VanDerWaalsContact C-N 3.32Å; L477-S479 PolarHBondContact O-N 2.94Å; L477-F480 HydrophobicContact CB-CD2 4.3Å; L477-F480 HydrophobicContact CD2-CD2 4.01Å; L477-F480 HydrophobicContact CD2-CE2 3.51Å; L477-F480 HydrophobicContact CD2-CZ 4.35Å; L477-F480 WeakPolarHBondContact O-CB 3.32Å; L477-F480 PolarHBondContact O-N 3.01Å; L477-F480 VanDerWaalsContact O-N 3.08Å; L477-I513 HydrophobicContact CB-CG2 4.18Å; L477-L523 HydrophobicContact CD1-CD1 3.76Å; L477-F568 HydrophobicContact CD1-CE2 3.83Å; L477-F568 HydrophobicContact CD1-CZ 3.72Å
478	D	98.8	Very high	98.1	Very high	3 Å²	3	43.6 Å²	43.6	2%	0.016	24%	0.236	C	C	.	.	H	α-helix	trans	-57.2	-43.2	-175.4	174.3	99.7	0	0	0	112	H475 F480 A481 R482 T496 I513 S514 Y515	H475-D478 WeakPolarHBondContact O-CB 3.48Å; H475-D478 PolarHBondContact O-N 3.16Å; D478-F480 PolarHBondContact O-N 2.75Å; D478-A481 WeakPolarHBondContact O-CB 3.32Å; D478-A481 PolarHBondContact O-N 3.2Å; D478-A481 VanDerWaalsContact O-N 3.14Å; D478-R482 IonicContact OD1-CZ 3.34Å; D478-R482 IonicContact OD1-NE 2.69Å; D478-R482 IonicContact OD1-NH2 3.19Å; D478-R482 PolarHBondContact OD1-NH2 2.68Å; D478-R482 VanDerWaalsContact OD1-NH2 3.1Å; D478-R482 IonicContact OD2-CZ 2.83Å; D478-R482 IonicContact OD2-NE 3.5Å; D478-R482 PolarHBondContact OD2-NE 2.66Å; D478-R482 IonicContact OD2-NH2 2.68Å; D478-T496 PolarHBondContact O-OG1 3.07Å; D478-T496 PolarHBondContact OD1-N 3.41Å; D478-T496 PolarHBondContact OD1-OG1 3.02Å; D478-I513 HydrophobicContact CB-CG2 4.01Å; D478-S514 WeakPolarHBondContact OD1-CA 3.28Å; D478-Y515 PolarHBondContact OD1-N 2.99Å
479	S	98.7	Very high	98.1	Very high	57 Å²	57	46.5 Å²	46.5	40%	0.399	27%	0.268	S	S	.	.	H	α-helix	trans	-68.9	-17.8	-178.9	-51.2	0	0	0	0	114.1	L477 A481 R482 A483	L477-S479 VanDerWaalsContact C-N 3.32Å; L477-S479 PolarHBondContact O-N 2.94Å; S479-A481 PolarHBondContact O-N 3.46Å; S479-R482 PolarHBondContact O-N 3.06Å; S479-A483 PolarHBondContact O-N 2.68Å; S479-A483 VanDerWaalsContact O-N 3.15Å
480	F	98.8	Very high	98.1	Very high	98 Å²	98	45.5 Å²	45.5	43%	0.43	26%	0.259	S	S	.	.	H	α-helix	trans	-64.1	-34.6	173.3	-63	-17.2	0	0	0	111.3	A462 V463 A466 L477 D478 R482	A462-F480 HydrophobicContact CB-CB 4.14Å; A462-F480 WeakPolarHBondContact CB-O 3.05Å; V463-F480 HydrophobicContact CG2-CB 4.06Å; A466-F480 HydrophobicContact CB-CD2 4.21Å; A466-F480 HydrophobicContact CB-CE2 4.21Å; L477-F480 HydrophobicContact CB-CD2 4.3Å; L477-F480 HydrophobicContact CD2-CD2 4.01Å; L477-F480 HydrophobicContact CD2-CE2 3.51Å; L477-F480 HydrophobicContact CD2-CZ 4.35Å; L477-F480 WeakPolarHBondContact O-CB 3.32Å; L477-F480 PolarHBondContact O-N 3.01Å; L477-F480 VanDerWaalsContact O-N 3.08Å; D478-F480 PolarHBondContact O-N 2.75Å; F480-R482 VanDerWaalsContact C-N 3.31Å; F480-R482 PolarHBondContact O-N 3.39Å
481	A	98.8	Very high	98.2	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-75.4	-18.3	178.2	0	0	0	0	0	114.2	G459 V463 D478 S479 Y492 T496 P533	G459-A481 WeakPolarHBondContact CA-O 3.14Å; V463-A481 HydrophobicContact CG2-CB 3.73Å; D478-A481 WeakPolarHBondContact O-CB 3.32Å; D478-A481 PolarHBondContact O-N 3.2Å; D478-A481 VanDerWaalsContact O-N 3.14Å; S479-A481 PolarHBondContact O-N 3.46Å; A481-Y492 VanDerWaalsContact CB-OH 3.26Å; A481-Y492 WeakPolarHBondContact CB-OH 3.49Å; A481-T496 HydrophobicContact CB-CG2 3.39Å; A481-P533 HydrophobicContact CB-CB 4.11Å; A481-P533 HydrophobicContact CB-CG 4.43Å
482	R	98.8	Very high	98.3	Very high	1 Å²	1	44.7 Å²	44.7	0%	0.004	25%	0.248	C	C	.	.	H	α-helix	trans	-101.9	-24.4	-174	-59.5	-178.1	-172	-76.4	-17.9	114.3	D478 S479 F480 T484 L485 W486 D491 Y492 H494 Y515	D478-R482 IonicContact OD1-CZ 3.34Å; D478-R482 IonicContact OD1-NE 2.69Å; D478-R482 IonicContact OD1-NH2 3.19Å; D478-R482 PolarHBondContact OD1-NH2 2.68Å; D478-R482 VanDerWaalsContact OD1-NH2 3.1Å; D478-R482 IonicContact OD2-CZ 2.83Å; D478-R482 IonicContact OD2-NE 3.5Å; D478-R482 PolarHBondContact OD2-NE 2.66Å; D478-R482 IonicContact OD2-NH2 2.68Å; S479-R482 PolarHBondContact O-N 3.06Å; F480-R482 VanDerWaalsContact C-N 3.31Å; F480-R482 PolarHBondContact O-N 3.39Å; R482-T484 VanDerWaalsContact C-N 3.27Å; R482-T484 PolarHBondContact O-N 3.29Å; R482-T484 VanDerWaalsContact O-N 3.11Å; R482-L485 WeakPolarHBondContact O-CB 3.49Å; R482-L485 PolarHBondContact O-N 3.33Å; R482-W486 HydrophobicContact CB-CD2 3.78Å; R482-W486 HydrophobicContact CB-CE3 4.13Å; R482-W486 HydrophobicContact CB-CG 4.31Å; R482-W486 HydrophobicContact CB-CH2 4.16Å; R482-W486 HydrophobicContact CB-CZ2 3.81Å; R482-W486 HydrophobicContact CB-CZ3 4.31Å; R482-W486 HydrophobicContact CG-CZ2 4.17Å; R482-W486 PolarHBondContact O-N 2.91Å; R482-D491 IonicContact CZ-OD1 3.42Å; R482-D491 IonicContact NH1-OD1 3.63Å; R482-D491 PolarHBondContact NH1-OD1 2.87Å; R482-Y492 HydrophobicContact CG-CE1 3.7Å; R482-Y492 WeakPolarHBondContact CG-OH 3.45Å; R482-Y492 VanDerWaalsContact CZ-CE2 3.47Å; R482-Y492 VanDerWaalsContact CZ-CZ 3.45Å; R482-Y492 PolarHBondContact NH1-O 3.21Å; R482-H494 PolarHBondContact NH2-O 2.83Å; R482-Y515 VanDerWaalsContact NH2-CE1 3.27Å
483	A	98.6	Very high	98	Very high	40 Å²	40	49.1 Å²	49.1	33%	0.331	27%	0.271	S	S	.	.	H	α-helix	trans	-49.4	-46.3	-167.9	0	0	0	0	0	113.3	S479 W486 E487	S479-A483 PolarHBondContact O-N 2.68Å; S479-A483 VanDerWaalsContact O-N 3.15Å; A483-W486 PolarHBondContact O-N 2.68Å; A483-E487 WeakPolarHBondContact O-CG 3.23Å; A483-E487 PolarHBondContact O-N 3.06Å
484	T	98.3	Very high	97.7	Very high	24 Å²	24	47.2 Å²	47.2	15%	0.147	26%	0.263	C	S	.	.	H	α-helix	trans	-72.1	-29.7	-178.4	43.8	0	0	0	0	113.9	Y455 K458 R482	Y455-T484 PolarHBondContact O-OG1 3.37Å; K458-T484 HydrophobicContact CB-CG2 3.93Å; K458-T484 HydrophobicContact CD-CG2 3.96Å; R482-T484 VanDerWaalsContact C-N 3.27Å; R482-T484 PolarHBondContact O-N 3.29Å; R482-T484 VanDerWaalsContact O-N 3.11Å
485	L	98.8	Very high	97.5	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-71.2	-45.3	171.1	-72.4	167.4	0	0	0	110.3	Y455 V456 R482 E487 S488 G489 L490 Y492 G534 Y535	Y455-L485 HydrophobicContact CD2-CD2 4.18Å; Y455-L485 HydrophobicContact CG-CD2 4.43Å; V456-L485 HydrophobicContact CG2-CD1 4.46Å; R482-L485 WeakPolarHBondContact O-CB 3.49Å; R482-L485 PolarHBondContact O-N 3.33Å; L485-E487 VanDerWaalsContact C-N 3.33Å; L485-E487 PolarHBondContact O-N 3.37Å; L485-S488 CarbonylContact O-C 3.4Å; L485-S488 WeakPolarHBondContact O-CA 3.31Å; L485-S488 PolarHBondContact O-N 2.92Å; L485-G489 PolarHBondContact O-N 3.5Å; L485-L490 CarbonylContact C-O 3.52Å; L485-L490 HydrophobicContact CB-CB 4.07Å; L485-L490 WeakPolarHBondContact CB-O 3.39Å; L485-L490 HydrophobicContact CD2-CB 3.9Å; L485-L490 HydrophobicContact CD2-CD1 4.14Å; L485-L490 PolarHBondContact O-N 2.86Å; L485-Y492 HydrophobicContact CD1-CD1 3.61Å; L485-Y492 HydrophobicContact CD1-CE1 3.88Å; L485-G534 WeakPolarHBondContact CD1-O 3.43Å; L485-Y535 HydrophobicContact CD2-CD2 4.23Å; L485-Y535 HydrophobicContact CD2-CG 4.4Å
486	W	98.8	Very high	97.5	Very high	124 Å²	124	46.5 Å²	46.5	47%	0.47	26%	0.263	S	S	.	.	H	α-helix	trans	-62.6	-36.3	-179.9	-72.3	-16.3	0	0	0	113.4	R482 A483 S488 G489 L490 D491	R482-W486 HydrophobicContact CB-CD2 3.78Å; R482-W486 HydrophobicContact CB-CE3 4.13Å; R482-W486 HydrophobicContact CB-CG 4.31Å; R482-W486 HydrophobicContact CB-CH2 4.16Å; R482-W486 HydrophobicContact CB-CZ2 3.81Å; R482-W486 HydrophobicContact CB-CZ3 4.31Å; R482-W486 HydrophobicContact CG-CZ2 4.17Å; R482-W486 PolarHBondContact O-N 2.91Å; A483-W486 PolarHBondContact O-N 2.68Å; W486-S488 PolarHBondContact O-N 2.89Å; W486-G489 PolarHBondContact O-N 3.39Å; W486-L490 VanDerWaalsContact CD1-O 3.29Å; W486-L490 PolarHBondContact N-O 3.46Å; W486-D491 PolarHBondContact NE1-OD1 3.2Å; W486-D491 PolarHBondContact NE1-OD2 3.42Å
487	E	98.4	Very high	97.5	Very high	161 Å²	161	42.1 Å²	42.1	75%	0.752	24%	0.241	S	C	*	.	H	α-helix	trans	-56.3	-28.8	173.4	-77.6	171	-173.4	0	0	112.6	A483 L485	A483-E487 WeakPolarHBondContact O-CG 3.23Å; A483-E487 PolarHBondContact O-N 3.06Å; L485-E487 VanDerWaalsContact C-N 3.33Å; L485-E487 PolarHBondContact O-N 3.37Å
488	S	98.1	Very high	97.5	Very high	58 Å²	58	43.4 Å²	43.4	41%	0.406	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.3	9.6	177.2	-62	0	0	0	0	113.5	Y455 L485 W486 L490	Y455-S488 WeakPolarHBondContact CE2-OG 3.33Å; Y455-S488 PolarHBondContact OH-OG 2.82Å; Y455-S488 VanDerWaalsContact OH-OG 3.05Å; L485-S488 CarbonylContact O-C 3.4Å; L485-S488 WeakPolarHBondContact O-CA 3.31Å; L485-S488 PolarHBondContact O-N 2.92Å; W486-S488 PolarHBondContact O-N 2.89Å; S488-L490 VanDerWaalsContact C-N 3.33Å; S488-L490 PolarHBondContact O-N 3.44Å
489	G	98.1	Very high	97.5	Very high	70 Å²	70	43.3 Å²	43.3	72%	0.722	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.4	17.2	179.2	0	0	0	0	0	115.2	L485 W486	L485-G489 PolarHBondContact O-N 3.5Å; W486-G489 PolarHBondContact O-N 3.39Å
490	L	98.4	Very high	97.5	Very high	34 Å²	34	40.6 Å²	40.6	18%	0.178	23%	0.228	C	C	.	.			trans	-103.3	160.6	179.9	-53.8	-176.9	0	0	0	111.2	Y455 L485 W486 S488 Y535	Y455-L490 HydrophobicContact CD2-CD1 4.32Å; Y455-L490 HydrophobicContact CE2-CD1 4.5Å; L485-L490 CarbonylContact C-O 3.52Å; L485-L490 HydrophobicContact CB-CB 4.07Å; L485-L490 WeakPolarHBondContact CB-O 3.39Å; L485-L490 HydrophobicContact CD2-CB 3.9Å; L485-L490 HydrophobicContact CD2-CD1 4.14Å; L485-L490 PolarHBondContact O-N 2.86Å; W486-L490 VanDerWaalsContact CD1-O 3.29Å; W486-L490 PolarHBondContact N-O 3.46Å; S488-L490 VanDerWaalsContact C-N 3.33Å; S488-L490 PolarHBondContact O-N 3.44Å; L490-Y535 HydrophobicContact CB-CD2 4.03Å; L490-Y535 HydrophobicContact CB-CE2 3.74Å; L490-Y535 HydrophobicContact CD1-CD2 4.21Å; L490-Y535 HydrophobicContact CD1-CE2 3.8Å; L490-Y535 HydrophobicContact CD2-CE2 3.77Å; L490-Y535 HydrophobicContact CG-CE2 3.96Å
491	D	97.7	Very high	97.5	Very high	67 Å²	67	35.9 Å²	35.9	36%	0.358	21%	0.207	S	C	.	.			trans	-158.5	178.5	174.1	-153.9	-11.4	0	0	0	111.3	R482 W486	R482-D491 IonicContact CZ-OD1 3.42Å; R482-D491 IonicContact NH1-OD1 3.63Å; R482-D491 PolarHBondContact NH1-OD1 2.87Å; W486-D491 PolarHBondContact NE1-OD1 3.2Å; W486-D491 PolarHBondContact NE1-OD2 3.42Å
492	Y	95.4	Very high	97.5	Very high	3 Å²	3	36.5 Å²	36.5	1%	0.012	21%	0.212	C	C	.	.			trans	-134.7	137.5	170.9	56.1	-84	0	0	0	112.5	A481 R482 L485 H494 T496 P533 G534	A481-Y492 VanDerWaalsContact CB-OH 3.26Å; A481-Y492 WeakPolarHBondContact CB-OH 3.49Å; R482-Y492 HydrophobicContact CG-CE1 3.7Å; R482-Y492 WeakPolarHBondContact CG-OH 3.45Å; R482-Y492 VanDerWaalsContact CZ-CE2 3.47Å; R482-Y492 VanDerWaalsContact CZ-CZ 3.45Å; R482-Y492 PolarHBondContact NH1-O 3.21Å; L485-Y492 HydrophobicContact CD1-CD1 3.61Å; L485-Y492 HydrophobicContact CD1-CE1 3.88Å; Y492-H494 VanDerWaalsContact C-N 3.29Å; Y492-H494 AromaticContact CD2-CD2 3.9Å; Y492-H494 AromaticContact CD2-CE1 3.52Å; Y492-H494 AromaticContact CD2-ND1 3.77Å; Y492-H494 AromaticContact CD2-NE2 3.58Å; Y492-H494 WeakPolarHBondContact CD2-O 3.49Å; Y492-H494 AromaticContact CE2-CE1 3.99Å; Y492-H494 WeakPolarHBondContact CE2-O 3.42Å; Y492-H494 PolarHBondContact O-N 3.19Å; Y492-H494 VanDerWaalsContact O-N 3.15Å; Y492-T496 PolarHBondContact OH-OG1 3.12Å; Y492-P533 HydrophobicContact CE1-CB 4.1Å; Y492-G534 VanDerWaalsContact CB-O 3.3Å; Y492-G534 WeakPolarHBondContact CB-O 3.5Å; Y492-G534 WeakPolarHBondContact CD1-O 3.33Å
493	L	90.8	Very high	97.5	Very high	111 Å²	111	36.6 Å²	36.6	58%	0.581	21%	0.212	S	C	*	.	S	Bend	trans	-89.3	30.7	-168.4	-60.7	178.5	0	0	0	114.9	I403	I403-L493 HydrophobicContact CD1-CB 4.42Å
494	H	91.8	Very high	97.5	Very high	11 Å²	11	34.8 Å²	34.8	5%	0.051	20%	0.197	C	C	.	.	S	Bend	trans	-133.5	170.9	172	62.2	87.4	0	0	0	111.5	R482 Y492 Y515 E532 Y536	R482-H494 PolarHBondContact NH2-O 2.83Å; Y492-H494 VanDerWaalsContact C-N 3.29Å; Y492-H494 AromaticContact CD2-CD2 3.9Å; Y492-H494 AromaticContact CD2-CE1 3.52Å; Y492-H494 AromaticContact CD2-ND1 3.77Å; Y492-H494 AromaticContact CD2-NE2 3.58Å; Y492-H494 WeakPolarHBondContact CD2-O 3.49Å; Y492-H494 AromaticContact CE2-CE1 3.99Å; Y492-H494 WeakPolarHBondContact CE2-O 3.42Å; Y492-H494 PolarHBondContact O-N 3.19Å; Y492-H494 VanDerWaalsContact O-N 3.15Å; H494-Y515 WeakPolarHBondContact O-CE1 3.5Å; H494-E532 PolarHBondContact CE1-O 2.84Å; H494-E532 VanDerWaalsContact CE1-O 3.31Å; H494-Y536 AromaticContact CD2-CE2 3.58Å; H494-Y536 AromaticContact CD2-CZ 3.94Å; H494-Y536 PolarHBondContact CD2-OH 3.14Å; H494-Y536 AromaticContact NE2-CE2 3.31Å; H494-Y536 VanDerWaalsContact NE2-CE2 3.31Å; H494-Y536 WeakPolarHBondContact NE2-CE2 3.24Å; H494-Y536 AromaticContact NE2-CZ 3.49Å; H494-Y536 PolarHBondContact NE2-OH 3.42Å
495	G	94.9	Very high	97.5	Very high	13 Å²	13	34.6 Å²	34.6	13%	0.134	20%	0.195	C	C	.	.			trans	-70.2	159.1	175.1	0	0	0	0	0	111.3	G497	G495-G497 VanDerWaalsContact C-N 3.31Å
496	T	98.6	Very high	97.5	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.195	C	C	.	.	S	Bend	trans	-73.4	-21.2	176.1	-59.7	0	0	0	0	113.4	V463 D478 A481 Y492 I513 E532	V463-T496 HydrophobicContact CG2-CG2 4.06Å; D478-T496 PolarHBondContact O-OG1 3.07Å; D478-T496 PolarHBondContact OD1-N 3.41Å; D478-T496 PolarHBondContact OD1-OG1 3.02Å; A481-T496 HydrophobicContact CB-CG2 3.39Å; Y492-T496 PolarHBondContact OH-OG1 3.12Å; T496-I513 CarbonylContact C-O 3.55Å; T496-I513 WeakPolarHBondContact CA-O 3.24Å; T496-I513 WeakPolarHBondContact CB-O 3.3Å; T496-I513 HydrophobicContact CG2-CB 4.49Å; T496-I513 HydrophobicContact CG2-CG2 3.85Å; T496-I513 PolarHBondContact N-O 3.17Å; T496-E532 WeakPolarHBondContact O-CG 3.36Å; T496-E532 PolarHBondContact O-N 3.2Å
497	G	98.2	Very high	97.4	Very high	6 Å²	6	31.4 Å²	31.4	6%	0.062	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178.4	172.3	171.7	0	0	0	0	0	114.7	G495 I513 S530	G495-G497 VanDerWaalsContact C-N 3.31Å; G497-I513 PolarHBondContact N-O 3.39Å; G497-I513 CarbonylContact O-C 3.03Å; G497-I513 PolarHBondContact O-N 3.34Å; G497-S530 WeakPolarHBondContact CA-O 3.25Å; G497-S530 WeakPolarHBondContact CA-OG 3.44Å
498	H	98.4	Very high	97.4	Very high	30 Å²	30	24.1 Å²	24.1	14%	0.139	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	161.5	-179.4	55	84.6	0	0	0	110.7	D435 V506 H507 V529 S530 E532	D435-H498 IonicContact OD2-CE1 3.37Å; D435-H498 IonicContact OD2-NE2 3.43Å; H498-V506 PolarHBondContact CE1-O 2.84Å; H498-V506 VanDerWaalsContact CE1-O 3.3Å; H498-V506 PolarHBondContact ND1-O 3.24Å; H498-H507 AromaticContact CD2-CD2 3.45Å; H498-H507 PolarHBondContact CD2-CD2 3.42Å; H498-H507 VanDerWaalsContact CD2-CD2 3.45Å; H498-H507 AromaticContact CE1-CD2 3.37Å; H498-H507 PolarHBondContact CE1-CD2 2.84Å; H498-H507 AromaticContact CG-CD2 3.59Å; H498-H507 AromaticContact ND1-CD2 3.55Å; H498-H507 AromaticContact NE2-CD2 3.3Å; H498-H507 PolarHBondContact NE2-CD2 2.79Å; H498-H507 VanDerWaalsContact NE2-CD2 3.3Å; H498-H507 AromaticContact NE2-NE2 3.7Å; H498-V529 CarbonylContact O-C 3.44Å; H498-V529 WeakPolarHBondContact O-CA 3.23Å; H498-V529 WeakPolarHBondContact O-CB 3.33Å; H498-S530 PolarHBondContact CD2-OG 3Å; H498-S530 PolarHBondContact N-OG 3.39Å; H498-S530 PolarHBondContact NE2-OG 2.93Å; H498-S530 PolarHBondContact O-N 3.2Å; H498-E532 IonicContact CD2-OE1 3.42Å; H498-E532 PolarHBondContact CD2-OE1 3.11Å; H498-E532 IonicContact NE2-OE1 3.72Å; H498-E532 PolarHBondContact NE2-OE1 3.36Å
499	G	98.6	Very high	97.2	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.01	15%	0.15	C	C	.	.	B	Isolated β-bridge	trans	-67.9	156	169.9	0	0	0	0	0	112.1	E508 C511 I528	G499-E508 CarbonylContact C-O 3.55Å; G499-E508 VanDerWaalsContact C-O 3.29Å; G499-E508 WeakPolarHBondContact CA-O 3.49Å; G499-E508 PolarHBondContact N-O 2.88Å; G499-E508 PolarHBondContact O-N 3.27Å; G499-C511 PolarHBondContact N-O 3.11Å; G499-I528 VanDerWaalsContact CA-O 3.29Å; G499-I528 WeakPolarHBondContact CA-O 3.38Å
500	V	98.9	Very high	97.1	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	12%	0.119	C	C	.	.			trans	-125.7	128.3	180	-175.3	0	0	0	0	110.4	K331 M339 T433 V506 I528 V548	K331-V500 VanDerWaalsContact CE-O 3.31Å; K331-V500 WeakPolarHBondContact CE-O 2.99Å; K331-V500 PolarHBondContact NZ-O 3.21Å; M339-V500 HydrophobicContact CE-CG1 3.98Å; T433-V500 HydrophobicContact CG2-CG1 4.29Å; V500-V506 WeakPolarHBondContact CA-O 3.3Å; V500-I528 HydrophobicContact CB-CG2 4.13Å; V500-I528 PolarHBondContact N-O 3.16Å; V500-V548 HydrophobicContact CG2-CG1 4.31Å; V500-V548 HydrophobicContact CG2-CG2 4.13Å
501	G	98.7	Very high	97.1	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.112	C	C	.	.			trans	-74.1	163.8	179.2	0	0	0	0	0	114.1	M339 T433 N505 E508	M339-G501 WeakPolarHBondContact CE-O 3.48Å; T433-G501 WeakPolarHBondContact CB-O 3.19Å; T433-G501 PolarHBondContact OG1-O 3Å; G501-N505 WeakPolarHBondContact CA-O 3.35Å; G501-N505 PolarHBondContact N-O 2.92Å; G501-E508 WeakPolarHBondContact CA-OE1 3.34Å
502	C	98.6	Very high	97.1	Very high	13 Å²	13	16.2 Å²	16.2	9%	0.088	10%	0.1	C	C	.	.	S	Bend	trans	-99.7	102.6	175.6	-172.9	0	0	0	0	110.4	R221 K331 E335 M339 L504	R221-C502 PolarHBondContact NH2-O 3.31Å; R221-C502 VanDerWaalsContact NH2-O 3.09Å; K331-C502 HydrophobicContact CG-CB 4.46Å; E335-C502 HydrophobicContact CB-CB 4.34Å; E335-C502 HydrophobicContact CG-CB 4.41Å; M339-C502 HydrophobicContact CG-CB 4.39Å; M339-C502 HydrophobicContact SD-CB 4.23Å; C502-L504 PolarHBondContact O-N 3.35Å
503	F	98.8	Very high	97.2	Very high	3 Å²	3	16.1 Å²	16.1	1%	0.013	10%	0.1	C	C	.	.	S	Bend	trans	49.8	48.6	-167.8	-176.8	-159.2	0	0	0	109.8	L178 R221 P229 V386 Q428 Y429 I430 T433	L178-F503 HydrophobicContact CD1-CD1 4.02Å; L178-F503 HydrophobicContact CD2-CD1 3.99Å; L178-F503 HydrophobicContact CD2-CE1 3.98Å; R221-F503 HydrophobicContact CB-CE1 4.27Å; R221-F503 HydrophobicContact CB-CZ 4.28Å; R221-F503 WeakPolarHBondContact CD-O 3.41Å; R221-F503 HydrophobicContact CG-CD1 3.98Å; R221-F503 HydrophobicContact CG-CE1 3.73Å; R221-F503 HydrophobicContact CG-CZ 4.11Å; R221-F503 PolarHBondContact NE-O 2.95Å; P229-F503 HydrophobicContact CB-CD2 3.95Å; P229-F503 HydrophobicContact CB-CE2 3.46Å; P229-F503 VanDerWaalsContact CB-CE2 3.46Å; P229-F503 HydrophobicContact CB-CZ 4.14Å; P229-F503 HydrophobicContact CG-CD2 3.64Å; P229-F503 HydrophobicContact CG-CE2 3.71Å; P229-F503 WeakPolarHBondContact CG-O 3.34Å; V386-F503 HydrophobicContact CB-CE2 4.16Å; V386-F503 HydrophobicContact CB-CZ 4.37Å; V386-F503 HydrophobicContact CG1-CE2 4.05Å; V386-F503 HydrophobicContact CG1-CZ 4.12Å; V386-F503 HydrophobicContact CG2-CE2 3.9Å; V386-F503 HydrophobicContact CG2-CZ 3.75Å; Q428-F503 HydrophobicContact CB-CD2 4.09Å; Q428-F503 HydrophobicContact CB-CE2 4.1Å; Y429-F503 VanDerWaalsContact O-CB 3.31Å; Y429-F503 WeakPolarHBondContact O-CB 3.43Å; Y429-F503 WeakPolarHBondContact O-CD2 3.39Å; Y429-F503 WeakPolarHBondContact O-CG 3.49Å; I430-F503 HydrophobicContact CB-CD1 4.5Å; I430-F503 HydrophobicContact CB-CE1 4.38Å; I430-F503 HydrophobicContact CG1-CE1 4.41Å; I430-F503 HydrophobicContact CG2-CD1 4.4Å; I430-F503 HydrophobicContact CG2-CE1 4.33Å; I430-F503 VanDerWaalsContact O-CD1 3.3Å; I430-F503 WeakPolarHBondContact O-CD1 3.35Å; T433-F503 VanDerWaalsContact OG1-CA 3.23Å; T433-F503 WeakPolarHBondContact OG1-CA 3.47Å; T433-F503 PolarHBondContact OG1-N 2.82Å; T433-F503 VanDerWaalsContact OG1-N 3.07Å
504	L	98.6	Very high	97.5	Very high	1 Å²	1	11.7 Å²	11.7	1%	0.005	8%	0.078	C	C	.	.	S	Bend	trans	-147	-158.6	-173.5	-152.2	65.8	0	0	0	108.3	D212 A215 W216 V230 K328 Q428 T433 C502 V506 E508	D212-L504 HydrophobicContact CB-CD1 4.21Å; D212-L504 HydrophobicContact CB-CD2 3.75Å; D212-L504 HydrophobicContact CB-CG 3.84Å; A215-L504 HydrophobicContact CB-CD1 3.95Å; W216-L504 HydrophobicContact CB-CD2 4.42Å; V230-L504 HydrophobicContact CG1-CD1 4.11Å; K328-L504 HydrophobicContact CD-CD2 4.29Å; Q428-L504 PolarHBondContact NE2-O 2.86Å; Q428-L504 PolarHBondContact OE1-O 3.28Å; T433-L504 PolarHBondContact OG1-N 2.86Å; T433-L504 PolarHBondContact OG1-O 2.84Å; C502-L504 PolarHBondContact O-N 3.35Å; L504-V506 PolarHBondContact O-N 3.09Å; L504-E508 WeakPolarHBondContact CD2-OE2 3.38Å
505	N	98.7	Very high	97.7	Very high	20 Å²	20	16.7 Å²	16.7	11%	0.107	10%	0.097	C	C	.	.			trans	-57.9	135.6	179	-63.4	18.3	0	0	0	111	G501 H507	G501-N505 WeakPolarHBondContact CA-O 3.35Å; G501-N505 PolarHBondContact N-O 2.92Å; N505-H507 VanDerWaalsContact C-N 3.3Å; N505-H507 WeakPolarHBondContact CB-O 3.29Å
506	V	98.6	Very high	97.4	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.114	C	C	.	.	S	Bend	trans	-66.6	-36.3	173.6	71.1	0	0	0	0	111.1	S389 F390 T433 D435 H498 V500 L504	S389-V506 WeakPolarHBondContact O-CG1 3.38Å; F390-V506 HydrophobicContact CD1-CB 4.48Å; F390-V506 HydrophobicContact CD1-CG1 4.06Å; F390-V506 HydrophobicContact CD1-CG2 4.14Å; F390-V506 HydrophobicContact CE1-CG2 4.25Å; T433-V506 HydrophobicContact CG2-CB 4.01Å; T433-V506 HydrophobicContact CG2-CG2 4.12Å; D435-V506 HydrophobicContact CB-CG2 3.76Å; D435-V506 WeakPolarHBondContact OD2-CG2 3.29Å; H498-V506 PolarHBondContact CE1-O 2.84Å; H498-V506 VanDerWaalsContact CE1-O 3.3Å; H498-V506 PolarHBondContact ND1-O 3.24Å; V500-V506 WeakPolarHBondContact CA-O 3.3Å; L504-V506 PolarHBondContact O-N 3.09Å
507	H	97.5	Very high	96.9	Very high	58 Å²	58	24.1 Å²	24.1	27%	0.269	13%	0.131	S	C	.	.	S	Bend	trans	-96	103	168.4	-49.4	113.7	0	0	0	110.4	E50 H498 N505	E50-H507 IonicContact OE1-CE1 3.69Å; E50-H507 PolarHBondContact OE1-CE1 3.35Å; E50-H507 VanDerWaalsContact OE1-CE1 3.29Å; E50-H507 IonicContact OE1-CG 2.71Å; E50-H507 IonicContact OE1-ND1 2.69Å; E50-H507 PolarHBondContact OE1-ND1 2.77Å; E50-H507 WeakPolarHBondContact OE2-CB 3.35Å; E50-H507 IonicContact OE2-CE1 2.75Å; E50-H507 IonicContact OE2-CG 2.95Å; E50-H507 IonicContact OE2-ND1 3.64Å; E50-H507 PolarHBondContact OE2-ND1 3.12Å; H498-H507 AromaticContact CD2-CD2 3.45Å; H498-H507 PolarHBondContact CD2-CD2 3.42Å; H498-H507 VanDerWaalsContact CD2-CD2 3.45Å; H498-H507 AromaticContact CE1-CD2 3.37Å; H498-H507 PolarHBondContact CE1-CD2 2.84Å; H498-H507 AromaticContact CG-CD2 3.59Å; H498-H507 AromaticContact ND1-CD2 3.55Å; H498-H507 AromaticContact NE2-CD2 3.3Å; H498-H507 PolarHBondContact NE2-CD2 2.79Å; H498-H507 VanDerWaalsContact NE2-CD2 3.3Å; H498-H507 AromaticContact NE2-NE2 3.7Å; N505-H507 VanDerWaalsContact C-N 3.3Å; N505-H507 WeakPolarHBondContact CB-O 3.29Å
508	E	97.7	Very high	96.6	Very high	7 Å²	7	31.3 Å²	31.3	3%	0.033	16%	0.16	C	C	.	.			trans	-124.3	118.5	-177.7	179.4	174	85.9	0	0	111.3	K328 K331 G499 G501 L504	K328-E508 VanDerWaalsContact NZ-CG 3.29Å; K328-E508 IonicContact NZ-OE2 3.78Å; K328-E508 PolarHBondContact NZ-OE2 2.87Å; K331-E508 IonicContact NZ-OE1 2.88Å; K331-E508 PolarHBondContact NZ-OE1 3.43Å; G499-E508 CarbonylContact C-O 3.55Å; G499-E508 VanDerWaalsContact C-O 3.29Å; G499-E508 WeakPolarHBondContact CA-O 3.49Å; G499-E508 PolarHBondContact N-O 2.88Å; G499-E508 PolarHBondContact O-N 3.27Å; G501-E508 WeakPolarHBondContact CA-OE1 3.34Å; L504-E508 WeakPolarHBondContact CD2-OE2 3.38Å
509	G	95.2	Very high	96.1	Very high	38 Å²	38	32.6 Å²	32.6	39%	0.392	18%	0.177	S	C	.	.			trans	-78.5	174.8	168.2	0	0	0	0	0	113.1
510	P	96.1	Very high	95.7	Very high	9 Å²	9	32.7 Å²	32.7	6%	0.058	18%	0.177	C	C	.	.	S	Bend	cis	-103.1	-2.6	11.2	36.2	-28.7	0	0	0	114.4	Y321 C325 L326 D520 E521	Y321-P510 HydrophobicContact CD1-CB 3.54Å; Y321-P510 HydrophobicContact CD1-CG 4.45Å; Y321-P510 HydrophobicContact CD2-CB 4.05Å; Y321-P510 HydrophobicContact CE1-CB 3.45Å; Y321-P510 VanDerWaalsContact CE1-CB 3.45Å; Y321-P510 HydrophobicContact CE2-CB 3.97Å; Y321-P510 HydrophobicContact CG-CB 3.84Å; Y321-P510 HydrophobicContact CG-CG 4.42Å; C325-P510 VanDerWaalsContact SG-CD 3.54Å; L326-P510 HydrophobicContact CD2-CG 4.02Å; P510-D520 WeakPolarHBondContact O-CA 3.39Å; P510-E521 HydrophobicContact CB-CB 4.31Å; P510-E521 HydrophobicContact CB-CG 3.8Å; P510-E521 HydrophobicContact CG-CB 3.92Å; P510-E521 HydrophobicContact CG-CG 3.49Å; P510-E521 VanDerWaalsContact CG-CG 3.49Å; P510-E521 PolarHBondContact O-N 2.96Å
511	C	96.9	Very high	95.5	Very high	7 Å²	7	35.6 Å²	35.6	5%	0.047	19%	0.19	C	C	.	.			trans	-79.1	155.6	170.6	60.6	0	0	0	0	110.9	G499 L523 M527 V529	G499-C511 PolarHBondContact N-O 3.11Å; C511-L523 HydrophobicContact CB-CD2 3.92Å; C511-M527 HydrophobicContact CB-SD 3.68Å; C511-V529 HydrophobicContact CB-CG1 4.5Å
512	G	97.4	Very high	95.4	Very high	10 Å²	10	37.4 Å²	37.4	10%	0.103	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	174.3	168.8	178.9	0	0	0	0	0	110.4	G474	G474-G512 CarbonylContact C-O 3.41Å; G474-G512 WeakPolarHBondContact CA-O 3.47Å
513	I	98.6	Very high	95.4	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	91.9	-179.6	-53.8	178.9	0	0	0	107.1	V463 G474 L477 D478 T496 G497 V529 F568	V463-I513 HydrophobicContact CG1-CD1 3.92Å; G474-I513 WeakPolarHBondContact O-CG2 3.21Å; L477-I513 HydrophobicContact CB-CG2 4.18Å; D478-I513 HydrophobicContact CB-CG2 4.01Å; T496-I513 CarbonylContact C-O 3.55Å; T496-I513 WeakPolarHBondContact CA-O 3.24Å; T496-I513 WeakPolarHBondContact CB-O 3.3Å; T496-I513 HydrophobicContact CG2-CB 4.49Å; T496-I513 HydrophobicContact CG2-CG2 3.85Å; T496-I513 PolarHBondContact N-O 3.17Å; G497-I513 PolarHBondContact N-O 3.39Å; G497-I513 CarbonylContact O-C 3.03Å; G497-I513 PolarHBondContact O-N 3.34Å; I513-V529 HydrophobicContact CD1-CG2 4.13Å; I513-F568 HydrophobicContact CD1-CZ 4.17Å
514	S	97.4	Very high	95.4	Very high	18 Å²	18	41.2 Å²	41.2	13%	0.126	22%	0.218	C	C	.	.			trans	-155.1	136.1	-175.3	-175.2	0	0	0	0	112.3	H475 D478 K516	H475-S514 VanDerWaalsContact CB-O 3.28Å; H475-S514 WeakPolarHBondContact CB-O 3.05Å; D478-S514 WeakPolarHBondContact OD1-CA 3.28Å; S514-K516 PolarHBondContact O-N 3.47Å; S514-K516 WeakPolarHBondContact OG-CB 3.37Å; S514-K516 PolarHBondContact OG-N 3.27Å
515	Y	94.3	Very high	95.4	Very high	116 Å²	116	43.1 Å²	43.1	46%	0.455	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-17.5	169.7	65.5	-95.1	0	0	0	113.7	D478 R482 H494 T517	D478-Y515 PolarHBondContact OD1-N 2.99Å; R482-Y515 VanDerWaalsContact NH2-CE1 3.27Å; H494-Y515 WeakPolarHBondContact O-CE1 3.5Å; Y515-T517 VanDerWaalsContact C-N 3.26Å; Y515-T517 PolarHBondContact O-N 3.35Å
516	K	89.9	Confident	95.3	Very high	114 Å²	114	42.5 Å²	42.5	50%	0.496	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-18.3	-174.3	-63.9	-178.5	-179.1	179	0	113.3	S514	S514-K516 PolarHBondContact O-N 3.47Å; S514-K516 WeakPolarHBondContact OG-CB 3.37Å; S514-K516 PolarHBondContact OG-N 3.27Å
517	T	88.7	Confident	95.4	Very high	56 Å²	56	42.8 Å²	42.8	34%	0.344	23%	0.234	S	C	.	.			trans	-138.7	133.5	-177.9	-178.2	0	0	0	0	112.1	H475 Y515 A519 D520	H475-T517 VanDerWaalsContact CB-O 3.31Å; H475-T517 WeakPolarHBondContact CB-O 3.44Å; Y515-T517 VanDerWaalsContact C-N 3.26Å; Y515-T517 PolarHBondContact O-N 3.35Å; T517-A519 PolarHBondContact OG1-N 2.8Å; T517-A519 VanDerWaalsContact OG1-N 3.09Å; T517-D520 HydrophobicContact CG2-CB 4.26Å
518	F	90.6	Very high	95.4	Very high	156 Å²	156	40 Å²	40	68%	0.684	22%	0.222	S	C	*	.	S	Bend	trans	-95.8	-11.5	166.6	-178.6	-99	0	0	0	112.1	K473 H475 D520	K473-F518 PolarHBondContact NZ-O 2.69Å; H475-F518 AromaticContact CE1-CD2 3.32Å; H475-F518 WeakPolarHBondContact CE1-CD2 3.45Å; H475-F518 AromaticContact CE1-CE2 3.56Å; H475-F518 AromaticContact NE2-CD2 3.26Å; H475-F518 VanDerWaalsContact NE2-CD2 3.26Å; H475-F518 WeakPolarHBondContact NE2-CD2 3.48Å; H475-F518 AromaticContact NE2-CE2 3.48Å; H475-F518 WeakPolarHBondContact NE2-CE2 3.47Å; F518-D520 VanDerWaalsContact C-N 3.33Å
519	A	87.9	Confident	95.5	Very high	58 Å²	58	39.7 Å²	39.7	48%	0.479	22%	0.22	S	C	.	.			trans	-92.9	12.9	-173.3	0	0	0	0	0	112.8	Y321 T517	Y321-A519 VanDerWaalsContact CE2-O 3.23Å; Y321-A519 WeakPolarHBondContact CE2-O 3.43Å; Y321-A519 PolarHBondContact OH-O 3.17Å; T517-A519 PolarHBondContact OG1-N 2.8Å; T517-A519 VanDerWaalsContact OG1-N 3.09Å
520	D	89.7	Confident	95.7	Very high	2 Å²	2	37.9 Å²	37.9	1%	0.011	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-62.2	151.2	170.2	61.9	-41.1	0	0	0	111.4	K473 G474 H475 P510 T517 F518	K473-D520 WeakPolarHBondContact CB-OD2 3.06Å; K473-D520 VanDerWaalsContact CE-O 3.31Å; K473-D520 WeakPolarHBondContact CE-O 3.04Å; K473-D520 PolarHBondContact NZ-O 3Å; G474-D520 WeakPolarHBondContact CA-OD2 3.42Å; G474-D520 PolarHBondContact N-OD2 3.1Å; H475-D520 IonicContact CE1-OD1 3.62Å; H475-D520 IonicContact CG-OD1 2.7Å; H475-D520 PolarHBondContact N-OD2 3.38Å; H475-D520 IonicContact ND1-OD1 3.4Å; H475-D520 PolarHBondContact ND1-OD1 2.82Å; H475-D520 IonicContact ND1-OD2 2.63Å; P510-D520 WeakPolarHBondContact O-CA 3.39Å; T517-D520 HydrophobicContact CG2-CB 4.26Å; F518-D520 VanDerWaalsContact C-N 3.33Å
521	E	95.2	Very high	95.8	Very high	62 Å²	62	37.5 Å²	37.5	29%	0.29	20%	0.199	S	C	.	.	P	Polyproline II helix	trans	-76	148.7	176.2	-74.4	-66.8	102.7	0	0	111.3	Y321 L326 P510 L523	Y321-E521 HydrophobicContact CD2-CG 4.01Å; Y321-E521 HydrophobicContact CE2-CG 4.13Å; L326-E521 HydrophobicContact CD2-CG 3.57Å; L326-E521 WeakPolarHBondContact CD2-OE2 3.34Å; P510-E521 HydrophobicContact CB-CB 4.31Å; P510-E521 HydrophobicContact CB-CG 3.8Å; P510-E521 HydrophobicContact CG-CB 3.92Å; P510-E521 HydrophobicContact CG-CG 3.49Å; P510-E521 VanDerWaalsContact CG-CG 3.49Å; P510-E521 PolarHBondContact O-N 2.96Å; E521-L523 PolarHBondContact O-N 3.27Å
522	P	97.8	Very high	95.9	Very high	37 Å²	37	38.3 Å²	38.3	24%	0.24	20%	0.202	C	C	.	.	B	Isolated β-bridge	trans	-55.4	138.1	174.1	-23	33.9	0	0	0	112.1	K473 M527	K473-P522 HydrophobicContact CG-CG 4.43Å; P522-M527 WeakPolarHBondContact O-CE 3.31Å
523	L	98.3	Very high	95.9	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-69.4	133.5	174.9	-64.4	176.6	0	0	0	110.7	F468 G471 T472 L477 C511 E521 M527 V529 V551 L566 F568	F468-L523 HydrophobicContact CE2-CB 4.1Å; F468-L523 HydrophobicContact CE2-CD1 3.91Å; F468-L523 HydrophobicContact CZ-CD1 4Å; G471-L523 PolarHBondContact N-O 3.13Å; T472-L523 WeakPolarHBondContact O-CB 3.47Å; T472-L523 PolarHBondContact O-N 3.29Å; L477-L523 HydrophobicContact CD1-CD1 3.76Å; C511-L523 HydrophobicContact CB-CD2 3.92Å; E521-L523 PolarHBondContact O-N 3.27Å; L523-M527 HydrophobicContact CD2-SD 4.15Å; L523-V529 HydrophobicContact CD2-CG1 4.48Å; L523-V551 HydrophobicContact CD2-CG2 4.44Å; L523-L566 VanDerWaalsContact O-CD1 3.3Å; L523-L566 WeakPolarHBondContact O-CD1 3.26Å; L523-F568 HydrophobicContact CD1-CE1 4.46Å; L523-F568 HydrophobicContact CD1-CZ 4.05Å
524	E	97.4	Very high	95.9	Very high	96 Å²	96	37.8 Å²	37.8	45%	0.449	20%	0.197	S	C	.	.			trans	-132.7	156.2	177	-63	-170.6	-110.9	0	0	110.7	G526 M527 V551	E524-G526 PolarHBondContact O-N 3.25Å; E524-M527 HydrophobicContact CB-CE 4.25Å; E524-M527 HydrophobicContact CG-CE 4.48Å; E524-M527 WeakPolarHBondContact O-CB 3.47Å; E524-M527 WeakPolarHBondContact O-CG 3.42Å; E524-M527 PolarHBondContact O-N 3.14Å; E524-M527 VanDerWaalsContact O-N 3.16Å; E524-V551 WeakPolarHBondContact O-CB 3.31Å; E524-V551 WeakPolarHBondContact O-CG1 3.32Å
525	A	98.5	Very high	96	Very high	42 Å²	42	37.9 Å²	37.9	35%	0.347	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	134	178.3	0	0	0	0	0	111.2	V330 V551 P553 L566	V330-A525 WeakPolarHBondContact CG1-O 3.31Å; A525-V551 WeakPolarHBondContact CA-O 3.35Å; A525-P553 HydrophobicContact CB-CG 4.13Å; A525-L566 HydrophobicContact CB-CD2 4.03Å
526	G	98.5	Very high	96.1	Very high	7 Å²	7	33.6 Å²	33.6	7%	0.072	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	96.8	-12.3	-174.5	0	0	0	0	0	114.3	K331 E524 V551	K331-G526 WeakPolarHBondContact CB-O 3.3Å; K331-G526 PolarHBondContact N-O 2.92Å; E524-G526 PolarHBondContact O-N 3.25Å; G526-V551 PolarHBondContact N-O 3.39Å
527	M	98.8	Very high	96.5	Very high	6 Å²	6	31.1 Å²	31.1	3%	0.03	17%	0.168	C	C	.	.	B	Isolated β-bridge	trans	-69.5	146.5	167.1	-67.1	-174.2	176.4	0	0	110.8	A329 V330 C511 P522 L523 E524 V551	A329-M527 HydrophobicContact CB-CE 4.49Å; A329-M527 WeakPolarHBondContact O-CA 3.07Å; V330-M527 HydrophobicContact CG2-CE 3.79Å; V330-M527 HydrophobicContact CG2-CG 3.99Å; C511-M527 HydrophobicContact CB-SD 3.68Å; P522-M527 WeakPolarHBondContact O-CE 3.31Å; L523-M527 HydrophobicContact CD2-SD 4.15Å; E524-M527 HydrophobicContact CB-CE 4.25Å; E524-M527 HydrophobicContact CG-CE 4.48Å; E524-M527 WeakPolarHBondContact O-CB 3.47Å; E524-M527 WeakPolarHBondContact O-CG 3.42Å; E524-M527 PolarHBondContact O-N 3.14Å; E524-M527 VanDerWaalsContact O-N 3.16Å; M527-V551 HydrophobicContact CB-CB 4.4Å; M527-V551 HydrophobicContact CB-CG2 4.04Å; M527-V551 WeakPolarHBondContact O-CG2 3.4Å; M527-V551 PolarHBondContact O-N 2.88Å
528	I	98.9	Very high	96.5	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	128.2	178.7	-62.1	174.2	0	0	0	107.8	K331 M339 G499 V500 V548 V549 L550 L571	K331-I528 HydrophobicContact CB-CD1 4.39Å; K331-I528 HydrophobicContact CD-CD1 4.05Å; K331-I528 HydrophobicContact CD-CG1 4.23Å; K331-I528 HydrophobicContact CG-CD1 4Å; M339-I528 HydrophobicContact CB-CD1 3.96Å; M339-I528 HydrophobicContact CE-CD1 3.85Å; M339-I528 HydrophobicContact CE-CG2 4.09Å; M339-I528 HydrophobicContact CG-CD1 3.67Å; G499-I528 VanDerWaalsContact CA-O 3.29Å; G499-I528 WeakPolarHBondContact CA-O 3.38Å; V500-I528 HydrophobicContact CB-CG2 4.13Å; V500-I528 PolarHBondContact N-O 3.16Å; I528-V548 HydrophobicContact CG2-CG1 3.22Å; I528-V549 WeakPolarHBondContact CA-O 3.35Å; I528-L550 HydrophobicContact CD1-CD1 4.36Å; I528-L550 HydrophobicContact CG1-CD1 3.71Å; I528-L571 HydrophobicContact CD1-CD1 4Å; I528-L571 HydrophobicContact CG1-CD1 4.37Å; I528-L571 HydrophobicContact CG2-CD1 4.03Å
529	V	98.9	Very high	96.6	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	159.1	180	-60.9	0	0	0	0	111.2	H498 C511 I513 L523 V548 V549 F568	H498-V529 CarbonylContact O-C 3.44Å; H498-V529 WeakPolarHBondContact O-CA 3.23Å; H498-V529 WeakPolarHBondContact O-CB 3.33Å; C511-V529 HydrophobicContact CB-CG1 4.5Å; I513-V529 HydrophobicContact CD1-CG2 4.13Å; L523-V529 HydrophobicContact CD2-CG1 4.48Å; V529-V548 CarbonylContact O-C 3.57Å; V529-V548 WeakPolarHBondContact O-CA 3.39Å; V529-V549 HydrophobicContact CG2-CG2 3.63Å; V529-V549 PolarHBondContact N-O 3.18Å; V529-V549 WeakPolarHBondContact O-CG2 3.39Å; V529-V549 PolarHBondContact O-N 3.02Å; V529-F568 HydrophobicContact CG2-CD1 4.46Å; V529-F568 HydrophobicContact CG2-CE1 3.85Å
530	S	98.8	Very high	97	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	156.4	163.2	60.7	0	0	0	0	111.2	G497 H498 E532 N547	G497-S530 WeakPolarHBondContact CA-O 3.25Å; G497-S530 WeakPolarHBondContact CA-OG 3.44Å; H498-S530 PolarHBondContact CD2-OG 3Å; H498-S530 PolarHBondContact N-OG 3.39Å; H498-S530 PolarHBondContact NE2-OG 2.93Å; H498-S530 PolarHBondContact O-N 3.2Å; S530-E532 PolarHBondContact OG-OE1 2.74Å; S530-N547 CarbonylContact C-O 3.55Å; S530-N547 WeakPolarHBondContact CA-O 3.48Å
531	D	98.9	Very high	97.4	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	96.9	168	172.1	13.8	0	0	0	107	H460 V463 S464 P533 E546 N547 V549	H460-D531 PolarHBondContact CE1-O 2.85Å; H460-D531 IonicContact CE1-OD2 3.56Å; H460-D531 IonicContact CG-OD2 3.5Å; H460-D531 PolarHBondContact ND1-O 3.18Å; H460-D531 IonicContact ND1-OD1 3.78Å; H460-D531 IonicContact ND1-OD2 2.79Å; H460-D531 PolarHBondContact ND1-OD2 2.97Å; V463-D531 HydrophobicContact CG1-CB 4.22Å; S464-D531 WeakPolarHBondContact CB-OD2 3.38Å; S464-D531 PolarHBondContact N-OD2 3.3Å; D531-P533 WeakPolarHBondContact OD1-CD 3.36Å; D531-E546 VanDerWaalsContact O-CA 3.27Å; D531-E546 WeakPolarHBondContact O-CA 3.42Å; D531-N547 PolarHBondContact N-O 2.86Å; D531-N547 PolarHBondContact O-N 2.97Å; D531-N547 VanDerWaalsContact O-N 3.11Å; D531-V549 HydrophobicContact CB-CG1 4.42Å; D531-V549 HydrophobicContact CB-CG2 4.49Å
532	E	98.8	Very high	97.5	Very high	24 Å²	24	27.8 Å²	27.8	11%	0.112	17%	0.168	C	C	.	.			trans	-135.7	46.7	-159.6	56.7	166.3	128.5	0	0	114.7	H494 T496 H498 S530 R544 I545 E546	H494-E532 PolarHBondContact CE1-O 2.84Å; H494-E532 VanDerWaalsContact CE1-O 3.31Å; T496-E532 WeakPolarHBondContact O-CG 3.36Å; T496-E532 PolarHBondContact O-N 3.2Å; H498-E532 IonicContact CD2-OE1 3.42Å; H498-E532 PolarHBondContact CD2-OE1 3.11Å; H498-E532 IonicContact NE2-OE1 3.72Å; H498-E532 PolarHBondContact NE2-OE1 3.36Å; S530-E532 PolarHBondContact OG-OE1 2.74Å; E532-R544 HydrophobicContact CB-CG 4.44Å; E532-I545 WeakPolarHBondContact CA-O 3.39Å; E532-E546 HydrophobicContact CB-CB 3.57Å; E532-E546 HydrophobicContact CB-CG 3.65Å
533	P	98.8	Very high	97.6	Very high	0 Å²	0	26 Å²	26	0%	0	16%	0.157	C	C	.	.			trans	-58.3	156.5	175.9	25.2	-32.8	0	0	0	112.6	V456 H460 A481 Y492 D531 R544 I545	V456-P533 HydrophobicContact CG1-CB 4.22Å; V456-P533 HydrophobicContact CG1-CG 4.17Å; V456-P533 WeakPolarHBondContact CG1-O 3.45Å; H460-P533 HydrophobicContact CB-CG 3.73Å; A481-P533 HydrophobicContact CB-CB 4.11Å; A481-P533 HydrophobicContact CB-CG 4.43Å; Y492-P533 HydrophobicContact CE1-CB 4.1Å; D531-P533 WeakPolarHBondContact OD1-CD 3.36Å; P533-R544 WeakPolarHBondContact O-CA 3.36Å; P533-I545 PolarHBondContact O-N 3.38Å
534	G	98.5	Very high	97.6	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	178.9	178.6	0	0	0	0	0	114.5	L485 Y492 I543	L485-G534 WeakPolarHBondContact CD1-O 3.43Å; Y492-G534 VanDerWaalsContact CB-O 3.3Å; Y492-G534 WeakPolarHBondContact CB-O 3.5Å; Y492-G534 WeakPolarHBondContact CD1-O 3.33Å; G534-I543 CarbonylContact C-O 3.59Å; G534-I543 WeakPolarHBondContact CA-O 3.37Å
535	Y	98.6	Very high	97.7	Very high	19 Å²	19	21.8 Å²	21.8	8%	0.075	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	138.7	169.8	176.7	-105.2	0	0	0	108.7	F448 C452 L485 L490 E537 F541 G542 I543	F448-Y535 HydrophobicContact CZ-CE1 4.37Å; C452-Y535 HydrophobicContact CB-CD1 3.65Å; C452-Y535 HydrophobicContact CB-CE1 4.16Å; C452-Y535 HydrophobicContact CB-CG 4.36Å; C452-Y535 VanDerWaalsContact SG-CD1 3.59Å; C452-Y535 WeakPolarHBondContact SG-CE1 3.39Å; L485-Y535 HydrophobicContact CD2-CD2 4.23Å; L485-Y535 HydrophobicContact CD2-CG 4.4Å; L490-Y535 HydrophobicContact CB-CD2 4.03Å; L490-Y535 HydrophobicContact CB-CE2 3.74Å; L490-Y535 HydrophobicContact CD1-CD2 4.21Å; L490-Y535 HydrophobicContact CD1-CE2 3.8Å; L490-Y535 HydrophobicContact CD2-CE2 3.77Å; L490-Y535 HydrophobicContact CG-CE2 3.96Å; Y535-E537 HydrophobicContact CE1-CB 3.96Å; Y535-E537 PolarHBondContact OH-OE2 2.81Å; Y535-F541 HydrophobicContact CD1-CE2 4.18Å; Y535-F541 HydrophobicContact CE1-CE2 4.33Å; Y535-G542 CarbonylContact O-C 3.39Å; Y535-G542 WeakPolarHBondContact O-CA 3.43Å; Y535-I543 PolarHBondContact N-O 3.01Å; Y535-I543 PolarHBondContact O-N 3.29Å
536	Y	97.1	Very high	97.7	Very high	27 Å²	27	19.9 Å²	19.9	11%	0.106	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	111.1	-172.5	-52	-84.7	0	0	0	109.5	G400 A401 I403 H494 R544	G400-Y536 WeakPolarHBondContact O-CD1 3.28Å; A401-Y536 WeakPolarHBondContact O-CB 3.39Å; I403-Y536 HydrophobicContact CB-CE1 4.34Å; I403-Y536 HydrophobicContact CD1-CD2 4.23Å; I403-Y536 HydrophobicContact CD1-CE2 4.22Å; I403-Y536 HydrophobicContact CG1-CD1 4.11Å; I403-Y536 HydrophobicContact CG1-CD2 3.93Å; I403-Y536 HydrophobicContact CG1-CE1 4.11Å; I403-Y536 HydrophobicContact CG1-CE2 3.94Å; I403-Y536 HydrophobicContact CG1-CG 4.03Å; I403-Y536 HydrophobicContact CG2-CE1 4.29Å; I403-Y536 HydrophobicContact CG2-CE2 4.28Å; H494-Y536 AromaticContact CD2-CE2 3.58Å; H494-Y536 AromaticContact CD2-CZ 3.94Å; H494-Y536 PolarHBondContact CD2-OH 3.14Å; H494-Y536 AromaticContact NE2-CE2 3.31Å; H494-Y536 VanDerWaalsContact NE2-CE2 3.31Å; H494-Y536 WeakPolarHBondContact NE2-CE2 3.24Å; H494-Y536 AromaticContact NE2-CZ 3.49Å; H494-Y536 PolarHBondContact NE2-OH 3.42Å; Y536-R544 PolarHBondContact OH-NH1 2.89Å
537	E	97.1	Very high	97.7	Very high	62 Å²	62	19.5 Å²	19.5	29%	0.29	12%	0.117	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	101.1	177.5	-176.2	64.9	-140.7	0	0	109	A401 F448 Y535 G539 S540 F541	A401-E537 VanDerWaalsContact CB-O 3.27Å; A401-E537 WeakPolarHBondContact CB-O 3.35Å; F448-E537 HydrophobicContact CE1-CG 4.24Å; Y535-E537 HydrophobicContact CE1-CB 3.96Å; Y535-E537 PolarHBondContact OH-OE2 2.81Å; E537-G539 PolarHBondContact O-N 2.99Å; E537-S540 PolarHBondContact O-N 3.02Å; E537-F541 HydrophobicContact CB-CD1 4.42Å; E537-F541 HydrophobicContact CB-CD2 4.48Å; E537-F541 HydrophobicContact CB-CE1 4.21Å; E537-F541 HydrophobicContact CB-CE2 4.3Å; E537-F541 HydrophobicContact CB-CZ 4.15Å; E537-F541 HydrophobicContact CG-CE1 4.45Å; E537-F541 PolarHBondContact N-O 2.89Å; E537-F541 PolarHBondContact O-N 3.07Å
538	D	90.4	Very high	97.7	Very high	140 Å²	140	19.2 Å²	19.2	75%	0.749	12%	0.116	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.1	126	-175.5	-81.7	-14.7	0	0	0	112.1	S540	D538-S540 PolarHBondContact O-N 3.16Å
539	G	91.1	Very high	97.7	Very high	63 Å²	63	19.2 Å²	19.2	65%	0.649	12%	0.116	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.5	3.4	179.9	0	0	0	0	0	115	P398 E537	P398-G539 WeakPolarHBondContact CG-O 3.29Å; E537-G539 PolarHBondContact O-N 2.99Å
540	S	96.7	Very high	97.7	Very high	56 Å²	56	19.5 Å²	19.5	39%	0.392	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-125.3	-70.6	-178.5	-164.8	0	0	0	0	113.9	G397 P398 E537 D538	G397-S540 CarbonylContact C-O 2.87Å; G397-S540 WeakPolarHBondContact CA-O 3.43Å; P398-S540 WeakPolarHBondContact CA-O 3.18Å; P398-S540 WeakPolarHBondContact CD-O 3.37Å; E537-S540 PolarHBondContact O-N 3.02Å; D538-S540 PolarHBondContact O-N 3.16Å
541	F	98.2	Very high	97.7	Very high	3 Å²	3	19.6 Å²	19.6	1%	0.013	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	165.4	-177.5	62.2	-97.7	0	0	0	111.4	G397 V420 F448 E449 C452 Y535 E537 I543	G397-F541 WeakPolarHBondContact O-CA 3.46Å; V420-F541 HydrophobicContact CB-CB 4.01Å; V420-F541 HydrophobicContact CG1-CB 4.47Å; V420-F541 HydrophobicContact CG2-CB 4.18Å; V420-F541 HydrophobicContact CG2-CG 4.47Å; F448-F541 AromaticContact CD1-CE1 3.84Å; F448-F541 HydrophobicContact CD1-CE1 3.84Å; F448-F541 AromaticContact CD1-CZ 3.77Å; F448-F541 HydrophobicContact CD1-CZ 3.77Å; F448-F541 HydrophobicContact CE1-CE1 4.17Å; F448-F541 AromaticContact CE1-CZ 3.89Å; F448-F541 HydrophobicContact CE1-CZ 3.89Å; E449-F541 HydrophobicContact CB-CE1 4.46Å; E449-F541 HydrophobicContact CB-CZ 4.45Å; E449-F541 HydrophobicContact CG-CD1 3.51Å; E449-F541 HydrophobicContact CG-CD2 4.36Å; E449-F541 HydrophobicContact CG-CE1 3.44Å; E449-F541 VanDerWaalsContact CG-CE1 3.44Å; E449-F541 HydrophobicContact CG-CE2 4.28Å; E449-F541 HydrophobicContact CG-CG 4.02Å; E449-F541 HydrophobicContact CG-CZ 3.85Å; C452-F541 HydrophobicContact CB-CE2 4.18Å; C452-F541 HydrophobicContact CB-CZ 4.41Å; Y535-F541 HydrophobicContact CD1-CE2 4.18Å; Y535-F541 HydrophobicContact CE1-CE2 4.33Å; E537-F541 HydrophobicContact CB-CD1 4.42Å; E537-F541 HydrophobicContact CB-CD2 4.48Å; E537-F541 HydrophobicContact CB-CE1 4.21Å; E537-F541 HydrophobicContact CB-CE2 4.3Å; E537-F541 HydrophobicContact CB-CZ 4.15Å; E537-F541 HydrophobicContact CG-CE1 4.45Å; E537-F541 PolarHBondContact N-O 2.89Å; E537-F541 PolarHBondContact O-N 3.07Å; F541-I543 HydrophobicContact CD2-CD1 3.91Å; F541-I543 HydrophobicContact CD2-CG1 4.03Å; F541-I543 HydrophobicContact CE2-CD1 3.58Å; F541-I543 HydrophobicContact CE2-CG1 4.21Å
542	G	98.3	Very high	97.7	Very high	1 Å²	1	21 Å²	21	1%	0.01	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	154.7	165.2	0	0	0	0	0	111.8	G400 Y535	G400-G542 VanDerWaalsContact O-CA 3.29Å; G400-G542 WeakPolarHBondContact O-CA 3.46Å; Y535-G542 CarbonylContact O-C 3.39Å; Y535-G542 WeakPolarHBondContact O-CA 3.43Å
543	I	98.9	Very high	97.7	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	132.2	-177.2	-62	157.4	0	0	0	107.7	T439 C452 F453 V456 G534 Y535 F541 I545	T439-I543 HydrophobicContact CG2-CB 4.32Å; T439-I543 HydrophobicContact CG2-CG1 3.99Å; T439-I543 HydrophobicContact CG2-CG2 4.33Å; C452-I543 HydrophobicContact CB-CD1 3.68Å; F453-I543 HydrophobicContact CB-CD1 3.92Å; F453-I543 HydrophobicContact CB-CG2 4.43Å; F453-I543 HydrophobicContact CD2-CG2 3.71Å; F453-I543 HydrophobicContact CE2-CG2 4.43Å; F453-I543 HydrophobicContact CG-CG2 4.39Å; V456-I543 HydrophobicContact CB-CG2 4.13Å; V456-I543 HydrophobicContact CG1-CG2 4.12Å; V456-I543 HydrophobicContact CG2-CG2 4.1Å; G534-I543 CarbonylContact C-O 3.59Å; G534-I543 WeakPolarHBondContact CA-O 3.37Å; Y535-I543 PolarHBondContact N-O 3.01Å; Y535-I543 PolarHBondContact O-N 3.29Å; F541-I543 HydrophobicContact CD2-CD1 3.91Å; F541-I543 HydrophobicContact CD2-CG1 4.03Å; F541-I543 HydrophobicContact CE2-CD1 3.58Å; F541-I543 HydrophobicContact CE2-CG1 4.21Å; I543-I545 HydrophobicContact CG2-CG1 4.49Å
544	R	98.9	Very high	97.7	Very high	6 Å²	6	25.2 Å²	25.2	2%	0.023	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	141	163.9	177.4	169.2	62.8	-103.7	9.2	108.9	L422 D424 T437 T439 E532 P533 Y536	L422-R544 HydrophobicContact CD1-CB 4.08Å; D424-R544 VanDerWaalsContact CG-NH2 3.33Å; D424-R544 IonicContact OD2-CZ 3.29Å; D424-R544 IonicContact OD2-NE 2.8Å; D424-R544 IonicContact OD2-NH2 2.72Å; D424-R544 PolarHBondContact OD2-NH2 3.44Å; T437-R544 HydrophobicContact CG2-CB 3.7Å; T437-R544 HydrophobicContact CG2-CG 3.88Å; T437-R544 WeakPolarHBondContact CG2-O 3.44Å; T437-R544 PolarHBondContact OG1-NE 2.71Å; T439-R544 PolarHBondContact OG1-N 3.14Å; T439-R544 PolarHBondContact OG1-O 2.76Å; E532-R544 HydrophobicContact CB-CG 4.44Å; P533-R544 WeakPolarHBondContact O-CA 3.36Å; Y536-R544 PolarHBondContact OH-NH1 2.89Å
545	I	98.9	Very high	97.6	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.01	20%	0.202	C	C	.	.			trans	-127.4	112.4	177.1	-58	177.8	0	0	0	106.7	F453 V456 L457 H460 E532 P533 I543 I576	F453-I545 HydrophobicContact CD1-CD1 4.39Å; F453-I545 HydrophobicContact CD2-CD1 4.26Å; F453-I545 HydrophobicContact CE1-CD1 3.91Å; F453-I545 HydrophobicContact CE2-CD1 3.77Å; F453-I545 HydrophobicContact CE2-CG1 4.09Å; F453-I545 HydrophobicContact CZ-CD1 3.59Å; F453-I545 HydrophobicContact CZ-CG1 4.27Å; V456-I545 HydrophobicContact CG1-CB 4.17Å; V456-I545 HydrophobicContact CG1-CD1 4.04Å; V456-I545 HydrophobicContact CG1-CG1 3.9Å; L457-I545 HydrophobicContact CB-CD1 3.77Å; L457-I545 HydrophobicContact CD1-CD1 4.14Å; H460-I545 PolarHBondContact ND1-O 2.92Å; E532-I545 WeakPolarHBondContact CA-O 3.39Å; P533-I545 PolarHBondContact O-N 3.38Å; I543-I545 HydrophobicContact CG2-CG1 4.49Å; I545-I576 HydrophobicContact CD1-CG2 4.37Å; I545-I576 HydrophobicContact CG2-CD1 3.92Å; I545-I576 HydrophobicContact CG2-CG1 4.3Å
546	E	98.9	Very high	97.5	Very high	1 Å²	1	37 Å²	37	1%	0.005	21%	0.214	C	C	.	.			trans	-128.3	134.3	-171.2	167.8	173	-135.9	0	0	112.8	T437 R438 D531 E532	T437-E546 WeakPolarHBondContact CB-OE2 3.4Å; T437-E546 PolarHBondContact N-OE2 3.39Å; T437-E546 PolarHBondContact O-N 3.42Å; T437-E546 PolarHBondContact OG1-OE2 2.88Å; R438-E546 PolarHBondContact NH1-O 2.73Å; D531-E546 VanDerWaalsContact O-CA 3.27Å; D531-E546 WeakPolarHBondContact O-CA 3.42Å; E532-E546 HydrophobicContact CB-CB 3.57Å; E532-E546 HydrophobicContact CB-CG 3.65Å
547	N	98.9	Very high	97.5	Very high	0 Å²	0	44 Å²	44	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	143.7	165.3	-71.7	-35.7	0	0	0	109.7	R438 H460 S530 D531 V549 T572 Y597	R438-N547 PolarHBondContact NH1-OD1 3.45Å; R438-N547 PolarHBondContact NH2-OD1 3.38Å; H460-N547 PolarHBondContact CE1-ND2 2.92Å; H460-N547 PolarHBondContact NE2-ND2 3.3Å; S530-N547 CarbonylContact C-O 3.55Å; S530-N547 WeakPolarHBondContact CA-O 3.48Å; D531-N547 PolarHBondContact N-O 2.86Å; D531-N547 PolarHBondContact O-N 2.97Å; D531-N547 VanDerWaalsContact O-N 3.11Å; N547-V549 HydrophobicContact CB-CG1 4.3Å; N547-T572 VanDerWaalsContact OD1-CB 3.24Å; N547-T572 WeakPolarHBondContact OD1-CB 3.47Å; N547-T572 WeakPolarHBondContact OD1-CG2 3.33Å; N547-Y597 PolarHBondContact OD1-OH 2.89Å
548	V	98.9	Very high	97.5	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	132.4	158.6	178	0	0	0	0	108.6	H343 D435 V500 I528 V529 L571 T572	H343-V548 VanDerWaalsContact NE2-CB 3.32Å; H343-V548 WeakPolarHBondContact NE2-CB 3.35Å; D435-V548 HydrophobicContact CB-CG2 3.84Å; D435-V548 WeakPolarHBondContact O-CG2 3.01Å; V500-V548 HydrophobicContact CG2-CG1 4.31Å; V500-V548 HydrophobicContact CG2-CG2 4.13Å; I528-V548 HydrophobicContact CG2-CG1 3.22Å; V529-V548 CarbonylContact O-C 3.57Å; V529-V548 WeakPolarHBondContact O-CA 3.39Å; V548-L571 HydrophobicContact CG1-CB 4.41Å; V548-L571 HydrophobicContact CG1-CD1 3.99Å; V548-L571 HydrophobicContact CG1-CG 4.46Å; V548-L571 WeakPolarHBondContact O-CB 3.28Å; V548-L571 PolarHBondContact O-N 3.31Å; V548-T572 PolarHBondContact N-OG1 3.4Å; V548-T572 PolarHBondContact O-N 2.86Å
549	V	98.9	Very high	97.7	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	141.1	-176.8	-61.4	0	0	0	0	111.9	I528 V529 D531 N547 F568 E569	I528-V549 WeakPolarHBondContact CA-O 3.35Å; V529-V549 HydrophobicContact CG2-CG2 3.63Å; V529-V549 PolarHBondContact N-O 3.18Å; V529-V549 WeakPolarHBondContact O-CG2 3.39Å; V529-V549 PolarHBondContact O-N 3.02Å; D531-V549 HydrophobicContact CB-CG1 4.42Å; D531-V549 HydrophobicContact CB-CG2 4.49Å; N547-V549 HydrophobicContact CB-CG1 4.3Å; V549-F568 HydrophobicContact CB-CB 3.94Å; V549-F568 HydrophobicContact CB-CD1 4.09Å; V549-F568 HydrophobicContact CB-CG 4.32Å; V549-F568 HydrophobicContact CG1-CB 4.37Å; V549-F568 HydrophobicContact CG2-CB 4.08Å; V549-F568 HydrophobicContact CG2-CD1 3.42Å; V549-F568 VanDerWaalsContact CG2-CD1 3.42Å; V549-F568 HydrophobicContact CG2-CE1 4.02Å; V549-F568 HydrophobicContact CG2-CG 3.9Å; V549-E569 WeakPolarHBondContact CA-O 3.22Å
550	L	98.9	Very high	97.9	Very high	6 Å²	6	52.2 Å²	52.2	3%	0.031	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	130.1	173.9	174.4	69.4	0	0	0	109.9	I336 I528 V552 F568 E569 L571	I336-L550 HydrophobicContact CD1-CD1 4.15Å; I336-L550 HydrophobicContact CG1-CD1 4.08Å; I336-L550 HydrophobicContact CG2-CD1 4.49Å; I336-L550 HydrophobicContact CG2-CD2 3.72Å; I528-L550 HydrophobicContact CD1-CD1 4.36Å; I528-L550 HydrophobicContact CG1-CD1 3.71Å; L550-V552 HydrophobicContact CB-CG1 4.4Å; L550-V552 HydrophobicContact CD2-CG1 3.65Å; L550-V552 HydrophobicContact CG-CG1 3.7Å; L550-V552 PolarHBondContact O-N 3.01Å; L550-F568 CarbonylContact O-C 3.58Å; L550-F568 WeakPolarHBondContact O-CA 3.32Å; L550-E569 HydrophobicContact CB-CB 4.44Å; L550-E569 PolarHBondContact N-O 2.91Å; L550-E569 PolarHBondContact O-N 2.69Å; L550-L571 HydrophobicContact CB-CD1 4.5Å; L550-L571 HydrophobicContact CB-CD2 3.94Å; L550-L571 HydrophobicContact CB-CG 4.22Å
551	V	98.9	Very high	97.8	Very high	1 Å²	1	59 Å²	59	1%	0.006	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	120.4	170.1	-176.4	0	0	0	0	109.1	F468 L523 E524 A525 G526 M527 L566 F568	F468-V551 HydrophobicContact CZ-CG1 4.44Å; L523-V551 HydrophobicContact CD2-CG2 4.44Å; E524-V551 WeakPolarHBondContact O-CB 3.31Å; E524-V551 WeakPolarHBondContact O-CG1 3.32Å; A525-V551 WeakPolarHBondContact CA-O 3.35Å; G526-V551 PolarHBondContact N-O 3.39Å; M527-V551 HydrophobicContact CB-CB 4.4Å; M527-V551 HydrophobicContact CB-CG2 4.04Å; M527-V551 WeakPolarHBondContact O-CG2 3.4Å; M527-V551 PolarHBondContact O-N 2.88Å; V551-L566 HydrophobicContact CG1-CB 4.01Å; V551-L566 HydrophobicContact CG1-CD1 3.77Å; V551-L566 HydrophobicContact CG1-CD2 4.16Å; V551-L566 HydrophobicContact CG1-CG 4.19Å; V551-F568 HydrophobicContact CG2-CD1 4.01Å; V551-F568 HydrophobicContact CG2-CE1 3.65Å
552	V	98.8	Very high	97.5	Very high	29 Å²	29	65.6 Å²	65.6	18%	0.176	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	153.8	-178.3	-61.2	0	0	0	0	111.8	L550 L566 T567 E569	L550-V552 HydrophobicContact CB-CG1 4.4Å; L550-V552 HydrophobicContact CD2-CG1 3.65Å; L550-V552 HydrophobicContact CG-CG1 3.7Å; L550-V552 PolarHBondContact O-N 3.01Å; V552-L566 CarbonylContact O-C 3.51Å; V552-L566 VanDerWaalsContact O-CA 3.25Å; V552-L566 WeakPolarHBondContact O-CA 3.05Å; V552-T567 HydrophobicContact CG2-CG2 3.64Å; V552-T567 PolarHBondContact N-O 2.89Å; V552-T567 PolarHBondContact O-N 3.36Å; V552-E569 HydrophobicContact CG1-CB 3.95Å; V552-E569 HydrophobicContact CG2-CB 4.09Å
553	P	98.5	Very high	97.1	Very high	98 Å²	98	72 Å²	72	64%	0.636	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.4	137.2	173.8	-23	34.4	0	0	0	112.8	A525	A525-P553 HydrophobicContact CB-CG 4.13Å
554	A	97.9	Very high	97	Very high	16 Å²	16	73.4 Å²	73.4	13%	0.132	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	152.1	173.8	0	0	0	0	0	111.4	I467 P556 S565 T567	I467-A554 HydrophobicContact CG2-CB 3.94Å; A554-P556 VanDerWaalsContact C-CD 3.46Å; A554-P556 WeakPolarHBondContact O-CD 3.24Å; A554-S565 PolarHBondContact N-O 3.08Å; A554-T567 HydrophobicContact CB-CG2 3.89Å
555	K	96.4	Very high	97	Very high	214 Å²	214	74.2 Å²	74.2	93%	0.93	35%	0.349	S	S	*	.			trans	-119.3	74.2	177.2	-67.7	-179.8	-177.5	177.3	0	110.7
556	P	96.6	Very high	97	Very high	51 Å²	51	74.3 Å²	74.3	33%	0.331	35%	0.35	S	S	.	.			trans	-66.5	168.5	175.1	29.5	-34.9	0	0	0	111.6	I467 A554 Y558 S565	I467-P556 HydrophobicContact CG2-CB 4.33Å; I467-P556 HydrophobicContact CG2-CG 4.35Å; A554-P556 VanDerWaalsContact C-CD 3.46Å; A554-P556 WeakPolarHBondContact O-CD 3.24Å; P556-Y558 PolarHBondContact O-N 3.07Å; P556-Y558 VanDerWaalsContact O-N 3.09Å; P556-S565 WeakPolarHBondContact CG-OG 3.2Å
557	K	97.4	Very high	97	Very high	176 Å²	176	75.7 Å²	75.7	77%	0.765	36%	0.358	S	S	*	.	S	Bend	trans	-52.6	-33.8	-177	-174	179.3	-179.1	-170.3	0	114.2
558	Y	97.3	Very high	97	Very high	172 Å²	172	76.2 Å²	76.2	68%	0.675	36%	0.361	S	S	*	.			trans	-130.4	145.3	-179.2	-56	-68.6	0	0	0	110.2	P556	P556-Y558 PolarHBondContact O-N 3.07Å; P556-Y558 VanDerWaalsContact O-N 3.09Å
559	N	94.2	Very high	97	Very high	92 Å²	92	78 Å²	78	49%	0.492	37%	0.369	S	S	.	.			trans	-107.4	88.1	173.6	-172.7	6.4	0	0	0	110.1	R561 N562 G564	N559-R561 PolarHBondContact O-N 3.47Å; N559-N562 WeakPolarHBondContact OD1-CA 3.32Å; N559-G564 PolarHBondContact OD1-N 3Å
560	Y	95.2	Very high	96.9	Very high	172 Å²	172	78.8 Å²	78.8	68%	0.675	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-68.3	119.9	-177.2	-175.8	-104	0	0	0	111.3	N562 R563	Y560-N562 PolarHBondContact O-N 3.09Å; Y560-N562 VanDerWaalsContact O-N 3.12Å; Y560-R563 PolarHBondContact O-N 3.39Å
561	R	93.8	Very high	96.9	Very high	200 Å²	200	78.9 Å²	78.9	76%	0.755	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	53.9	26.8	179.6	-60	-176.3	-177.5	-164.7	0.6	114.8	N559 R563	N559-R561 PolarHBondContact O-N 3.47Å; R561-R563 PolarHBondContact O-N 3.14Å; R561-R563 VanDerWaalsContact O-N 3.08Å
562	N	91.9	Very high	96.9	Very high	140 Å²	140	79 Å²	79	75%	0.749	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	56	23.7	179.6	-56.6	-38.1	0	0	0	114.8	N559 Y560 G564	N559-N562 WeakPolarHBondContact OD1-CA 3.32Å; Y560-N562 PolarHBondContact O-N 3.09Å; Y560-N562 VanDerWaalsContact O-N 3.12Å; N562-G564 PolarHBondContact O-N 3.27Å
563	R	91.2	Very high	97	Very high	137 Å²	137	77.9 Å²	77.9	52%	0.517	37%	0.369	S	S	.	.			trans	-71.3	-22	-179.6	-173.3	171.1	174.9	-176.1	0.7	112.6	N470 G471 Y560 R561	N470-R563 WeakPolarHBondContact CB-O 3.42Å; N470-R563 PolarHBondContact O-NE 3.18Å; N470-R563 PolarHBondContact O-NH2 3.01Å; G471-R563 PolarHBondContact O-NH2 3.43Å; Y560-R563 PolarHBondContact O-N 3.39Å; R561-R563 PolarHBondContact O-N 3.14Å; R561-R563 VanDerWaalsContact O-N 3.08Å
564	G	96.2	Very high	97	Very high	28 Å²	28	73.3 Å²	73.3	29%	0.289	34%	0.339	S	S	.	.			trans	72	171.6	-169.6	0	0	0	0	0	112.2	N470 N559 N562	N470-G564 PolarHBondContact N-O 3.44Å; N559-G564 PolarHBondContact OD1-N 3Å; N562-G564 PolarHBondContact O-N 3.27Å
565	S	98.4	Very high	97	Very high	23 Å²	23	73 Å²	73	16%	0.161	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	158.9	179.2	-56.6	0	0	0	0	110.1	F468 A554 P556	F468-S565 CarbonylContact O-C 3.59Å; F468-S565 VanDerWaalsContact O-CA 3.23Å; F468-S565 WeakPolarHBondContact O-CA 3.32Å; F468-S565 WeakPolarHBondContact O-CB 3.48Å; A554-S565 PolarHBondContact N-O 3.08Å; P556-S565 WeakPolarHBondContact CG-OG 3.2Å
566	L	98.8	Very high	97.1	Very high	4 Å²	4	62.8 Å²	62.8	2%	0.021	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	159.7	-179.5	-59.5	173.1	0	0	0	108.9	I467 F468 N470 L523 A525 V551 V552	I467-L566 WeakPolarHBondContact CA-O 3.38Å; F468-L566 HydrophobicContact CD2-CB 3.94Å; F468-L566 HydrophobicContact CD2-CD1 4.45Å; F468-L566 HydrophobicContact CE1-CB 4.49Å; F468-L566 HydrophobicContact CE2-CB 3.5Å; F468-L566 VanDerWaalsContact CE2-CB 3.5Å; F468-L566 HydrophobicContact CE2-CD1 3.88Å; F468-L566 HydrophobicContact CE2-CG 4.3Å; F468-L566 HydrophobicContact CZ-CB 3.81Å; F468-L566 PolarHBondContact N-O 3.03Å; F468-L566 PolarHBondContact O-N 3.38Å; N470-L566 HydrophobicContact CB-CD1 4.28Å; N470-L566 HydrophobicContact CB-CG 4.27Å; L523-L566 VanDerWaalsContact O-CD1 3.3Å; L523-L566 WeakPolarHBondContact O-CD1 3.26Å; A525-L566 HydrophobicContact CB-CD2 4.03Å; V551-L566 HydrophobicContact CG1-CB 4.01Å; V551-L566 HydrophobicContact CG1-CD1 3.77Å; V551-L566 HydrophobicContact CG1-CD2 4.16Å; V551-L566 HydrophobicContact CG1-CG 4.19Å; V552-L566 CarbonylContact O-C 3.51Å; V552-L566 VanDerWaalsContact O-CA 3.25Å; V552-L566 WeakPolarHBondContact O-CA 3.05Å
567	T	98.8	Very high	97.2	Very high	30 Å²	30	60.9 Å²	60.9	18%	0.184	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	175.9	171.4	-170.6	0	0	0	0	107.9	A466 V552 A554	A466-T567 WeakPolarHBondContact O-CA 3.25Å; A466-T567 PolarHBondContact O-OG1 3.48Å; V552-T567 HydrophobicContact CG2-CG2 3.64Å; V552-T567 PolarHBondContact N-O 2.89Å; V552-T567 PolarHBondContact O-N 3.36Å; A554-T567 HydrophobicContact CB-CG2 3.89Å
568	F	98.9	Very high	97.2	Very high	12 Å²	12	54.5 Å²	54.5	5%	0.053	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	144	175.5	-62.1	-73.2	0	0	0	112.7	V463 F468 L477 I513 L523 V529 V549 L550 V551	V463-F568 HydrophobicContact CG1-CE2 4.14Å; V463-F568 VanDerWaalsContact O-CD2 3.26Å; V463-F568 WeakPolarHBondContact O-CD2 3.34Å; F468-F568 HydrophobicContact CD1-CE2 4.4Å; F468-F568 AromaticContact CE1-CD2 3.91Å; F468-F568 HydrophobicContact CE1-CD2 3.91Å; F468-F568 AromaticContact CE1-CE2 3.38Å; F468-F568 HydrophobicContact CE1-CE2 3.38Å; F468-F568 AromaticContact CE1-CZ 3.73Å; F468-F568 HydrophobicContact CE1-CZ 3.73Å; F468-F568 HydrophobicContact CZ-CD2 4.48Å; F468-F568 HydrophobicContact CZ-CE1 4.18Å; F468-F568 AromaticContact CZ-CE2 3.84Å; F468-F568 HydrophobicContact CZ-CE2 3.84Å; F468-F568 AromaticContact CZ-CZ 3.67Å; F468-F568 HydrophobicContact CZ-CZ 3.67Å; L477-F568 HydrophobicContact CD1-CE2 3.83Å; L477-F568 HydrophobicContact CD1-CZ 3.72Å; I513-F568 HydrophobicContact CD1-CZ 4.17Å; L523-F568 HydrophobicContact CD1-CE1 4.46Å; L523-F568 HydrophobicContact CD1-CZ 4.05Å; V529-F568 HydrophobicContact CG2-CD1 4.46Å; V529-F568 HydrophobicContact CG2-CE1 3.85Å; V549-F568 HydrophobicContact CB-CB 3.94Å; V549-F568 HydrophobicContact CB-CD1 4.09Å; V549-F568 HydrophobicContact CB-CG 4.32Å; V549-F568 HydrophobicContact CG1-CB 4.37Å; V549-F568 HydrophobicContact CG2-CB 4.08Å; V549-F568 HydrophobicContact CG2-CD1 3.42Å; V549-F568 VanDerWaalsContact CG2-CD1 3.42Å; V549-F568 HydrophobicContact CG2-CE1 4.02Å; V549-F568 HydrophobicContact CG2-CG 3.9Å; L550-F568 CarbonylContact O-C 3.58Å; L550-F568 WeakPolarHBondContact O-CA 3.32Å; V551-F568 HydrophobicContact CG2-CD1 4.01Å; V551-F568 HydrophobicContact CG2-CE1 3.65Å
569	E	98.8	Very high	97.2	Very high	38 Å²	38	50.3 Å²	50.3	18%	0.178	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	114.7	169	-176	-166.9	171.4	0	0	108.5	K340 V549 L550 V552 L571 R600	K340-E569 IonicContact NZ-OE1 3.64Å; K340-E569 PolarHBondContact NZ-OE1 2.87Å; K340-E569 IonicContact NZ-OE2 3.1Å; K340-E569 PolarHBondContact NZ-OE2 3.41Å; V549-E569 WeakPolarHBondContact CA-O 3.22Å; L550-E569 HydrophobicContact CB-CB 4.44Å; L550-E569 PolarHBondContact N-O 2.91Å; L550-E569 PolarHBondContact O-N 2.69Å; V552-E569 HydrophobicContact CG1-CB 3.95Å; V552-E569 HydrophobicContact CG2-CB 4.09Å; E569-L571 PolarHBondContact O-N 3.31Å; E569-R600 IonicContact OE1-CZ 3.62Å; E569-R600 IonicContact OE1-NH1 3.86Å; E569-R600 PolarHBondContact OE1-NH1 3.25Å; E569-R600 IonicContact OE1-NH2 3.1Å; E569-R600 PolarHBondContact OE1-NH2 2.67Å
570	P	98.8	Very high	97.4	Very high	16 Å²	16	45.9 Å²	45.9	10%	0.104	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	127.9	176.7	-24.1	34	0	0	0	112.4	Y597	P570-Y597 HydrophobicContact CB-CD2 4.37Å; P570-Y597 HydrophobicContact CB-CE2 3.99Å; P570-Y597 HydrophobicContact CG-CD2 4.31Å; P570-Y597 HydrophobicContact CG-CE2 4.38Å
571	L	98.9	Very high	97.6	Very high	7 Å²	7	37.8 Å²	37.8	4%	0.037	18%	0.183	C	C	.	.			trans	-86.4	-41.6	167.7	-57.9	-171.2	0	0	0	110.1	M339 K340 H343 I528 V548 L550 E569 L573	M339-L571 HydrophobicContact CB-CD1 4.05Å; K340-L571 HydrophobicContact CG-CD2 3.72Å; H343-L571 HydrophobicContact CB-CB 4.21Å; H343-L571 VanDerWaalsContact CB-O 3.26Å; H343-L571 WeakPolarHBondContact CB-O 3.46Å; I528-L571 HydrophobicContact CD1-CD1 4Å; I528-L571 HydrophobicContact CG1-CD1 4.37Å; I528-L571 HydrophobicContact CG2-CD1 4.03Å; V548-L571 HydrophobicContact CG1-CB 4.41Å; V548-L571 HydrophobicContact CG1-CD1 3.99Å; V548-L571 HydrophobicContact CG1-CG 4.46Å; V548-L571 WeakPolarHBondContact O-CB 3.28Å; V548-L571 PolarHBondContact O-N 3.31Å; L550-L571 HydrophobicContact CB-CD1 4.5Å; L550-L571 HydrophobicContact CB-CD2 3.94Å; L550-L571 HydrophobicContact CB-CG 4.22Å; E569-L571 PolarHBondContact O-N 3.31Å; L571-L573 PolarHBondContact O-N 3.13Å
572	T	98.9	Very high	97.8	Very high	5 Å²	5	30.4 Å²	30.4	3%	0.031	16%	0.159	C	C	.	.			trans	-67.3	122	173.4	-53.7	0	0	0	0	110.8	V436 N547 V548 V574 Y597	V436-T572 HydrophobicContact CB-CG2 3.89Å; V436-T572 HydrophobicContact CG2-CG2 3.55Å; N547-T572 VanDerWaalsContact OD1-CB 3.24Å; N547-T572 WeakPolarHBondContact OD1-CB 3.47Å; N547-T572 WeakPolarHBondContact OD1-CG2 3.33Å; V548-T572 PolarHBondContact N-OG1 3.4Å; V548-T572 PolarHBondContact O-N 2.86Å; T572-V574 HydrophobicContact CG2-CB 4.45Å; T572-V574 HydrophobicContact CG2-CG2 4.17Å; T572-Y597 WeakPolarHBondContact O-CE2 3.47Å; T572-Y597 PolarHBondContact O-OH 3.42Å
573	L	98.9	Very high	98	Very high	5 Å²	5	25.9 Å²	25.9	3%	0.026	14%	0.136	C	C	.	.			trans	-123.4	61.4	-178	-65.4	178.9	0	0	0	111.6	L571 Y597 R600 V604 I605	L571-L573 PolarHBondContact O-N 3.13Å; L573-Y597 HydrophobicContact CD2-CE2 4.17Å; L573-R600 HydrophobicContact CD2-CG 4Å; L573-V604 HydrophobicContact CD1-CB 3.8Å; L573-V604 HydrophobicContact CD1-CG1 3.81Å; L573-V604 HydrophobicContact CD1-CG2 4.13Å; L573-I605 HydrophobicContact CB-CD1 3.94Å; L573-I605 HydrophobicContact CB-CG1 3.7Å; L573-I605 HydrophobicContact CD1-CD1 4.19Å; L573-I605 HydrophobicContact CD1-CG1 4.42Å; L573-I605 WeakPolarHBondContact O-CG1 3.37Å
574	V	98.9	Very high	98.3	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.006	15%	0.15	C	C	.	.			trans	-117.8	130.9	-179.6	179.8	0	0	0	0	109.1	A347 L350 F354 R438 T572 I576 Y597	A347-V574 HydrophobicContact CB-CG2 3.84Å; L350-V574 HydrophobicContact CB-CG1 4.34Å; L350-V574 HydrophobicContact CB-CG2 4.12Å; L350-V574 HydrophobicContact CD1-CG2 3.78Å; F354-V574 HydrophobicContact CD2-CG1 4.29Å; F354-V574 HydrophobicContact CE2-CG1 3.87Å; R438-V574 HydrophobicContact CG-CG1 4.02Å; R438-V574 PolarHBondContact NE-O 3.46Å; R438-V574 VanDerWaalsContact NE-O 3.15Å; R438-V574 PolarHBondContact NH2-O 3.3Å; T572-V574 HydrophobicContact CG2-CB 4.45Å; T572-V574 HydrophobicContact CG2-CG2 4.17Å; V574-I576 PolarHBondContact O-N 3.33Å; V574-Y597 PolarHBondContact N-OH 2.95Å; V574-Y597 WeakPolarHBondContact O-CE1 3.47Å; V574-Y597 PolarHBondContact O-OH 2.93Å
575	P	98.8	Very high	98.3	Very high	9 Å²	9	29.1 Å²	29.1	6%	0.058	15%	0.151	C	C	.	.	P	Polyproline II helix	trans	-52.4	140.4	-179.3	-27.8	35.8	0	0	0	113.6	R438 W620 L621 E624 T625	R438-P575 WeakPolarHBondContact CD-O 3.49Å; R438-P575 PolarHBondContact NE-O 2.92Å; R438-P575 VanDerWaalsContact NE-O 3.13Å; P575-W620 HydrophobicContact CB-CH2 4.23Å; P575-W620 HydrophobicContact CG-CH2 3.85Å; P575-W620 HydrophobicContact CG-CZ3 3.85Å; P575-L621 HydrophobicContact CG-CD1 3.49Å; P575-L621 VanDerWaalsContact CG-CD1 3.49Å; P575-E624 HydrophobicContact CB-CB 3.96Å; P575-E624 HydrophobicContact CG-CB 4.22Å; P575-T625 HydrophobicContact CB-CG2 4.39Å; P575-T625 HydrophobicContact CG-CG2 3.84Å
576	I	98.9	Very high	98.3	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.005	15%	0.147	C	C	.	.	P	Polyproline II helix	trans	-95.9	124.1	167.6	-59.3	171	0	0	0	107.6	F453 L457 I545 V574 V578 M581 W593 Y597 H598	F453-I576 HydrophobicContact CE1-CG2 4.06Å; F453-I576 HydrophobicContact CZ-CG2 3.67Å; L457-I576 HydrophobicContact CD1-CD1 3.98Å; L457-I576 HydrophobicContact CD1-CG2 4.16Å; I545-I576 HydrophobicContact CD1-CG2 4.37Å; I545-I576 HydrophobicContact CG2-CD1 3.92Å; I545-I576 HydrophobicContact CG2-CG1 4.3Å; V574-I576 PolarHBondContact O-N 3.33Å; I576-V578 PolarHBondContact O-N 3.5Å; I576-M581 HydrophobicContact CB-CE 4.14Å; I576-M581 HydrophobicContact CG2-CE 3.68Å; I576-M581 WeakPolarHBondContact O-CE 3.24Å; I576-W593 HydrophobicContact CD1-CZ3 4.22Å; I576-Y597 HydrophobicContact CD1-CD1 4.44Å; I576-Y597 HydrophobicContact CD1-CE1 4.23Å; I576-Y597 HydrophobicContact CG1-CE1 4.16Å; I576-H598 PolarHBondContact N-NE2 3.36Å; I576-H598 PolarHBondContact O-CE1 3.4Å; I576-H598 VanDerWaalsContact O-CE1 3.25Å; I576-H598 PolarHBondContact O-NE2 3.19Å
577	Q	98.5	Very high	98.3	Very high	10 Å²	10	31.9 Å²	31.9	5%	0.047	17%	0.167	C	C	.	.	P	Polyproline II helix	trans	-68.8	116.5	-166.4	-159.4	-170.1	45.9	0	0	112.9	V440 H441 K579 M580	V440-Q577 HydrophobicContact CG1-CB 4.17Å; H441-Q577 PolarHBondContact O-NE2 2.99Å; H441-Q577 PolarHBondContact O-OE1 3.44Å; Q577-K579 VanDerWaalsContact C-N 3.33Å; Q577-K579 HydrophobicContact CG-CG 3.97Å; Q577-K579 PolarHBondContact O-N 2.94Å; Q577-M580 HydrophobicContact CB-CG 4.38Å; Q577-M580 PolarHBondContact O-N 3.27Å
578	V	97.8	Very high	98.3	Very high	43 Å²	43	35.8 Å²	35.8	26%	0.261	18%	0.183	S	C	.	.	G	3₁₀ helix	trans	-63.4	-34.5	-174.1	177.4	0	0	0	0	113	I576 M580 M581 V628	I576-V578 PolarHBondContact O-N 3.5Å; V578-M580 PolarHBondContact O-N 2.82Å; V578-M581 HydrophobicContact CG1-SD 4.49Å; V578-M581 HydrophobicContact CG2-CE 4.33Å; V578-M581 HydrophobicContact CG2-SD 4.48Å; V578-M581 VanDerWaalsContact O-CB 3.26Å; V578-M581 WeakPolarHBondContact O-CB 3.45Å; V578-M581 WeakPolarHBondContact O-CG 3.21Å; V578-M581 PolarHBondContact O-N 2.86Å; V578-V628 HydrophobicContact CG1-CG2 3.92Å; V578-V628 HydrophobicContact CG2-CG2 3.79Å
579	K	96.9	Very high	98.2	Very high	83 Å²	83	42.1 Å²	42.1	36%	0.361	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-64.4	-24.6	-177.8	76.4	176.4	73.8	165.1	0	113.7	H441 K450 Q577 M581	H441-K579 WeakPolarHBondContact O-CD 3.38Å; H441-K579 PolarHBondContact O-NZ 2.94Å; K450-K579 VanDerWaalsContact CE-O 3.26Å; K450-K579 WeakPolarHBondContact CE-O 3.19Å; Q577-K579 VanDerWaalsContact C-N 3.33Å; Q577-K579 HydrophobicContact CG-CG 3.97Å; Q577-K579 PolarHBondContact O-N 2.94Å; K579-M581 PolarHBondContact O-N 3.34Å
580	M	98.6	Very high	98.2	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-74.4	-15.4	174.6	-68.4	-63.4	-70.8	0	0	112	V420 H441 P445 K450 F453 Q577 V578	V420-M580 HydrophobicContact CG2-CE 4.11Å; H441-M580 HydrophobicContact CB-SD 3.42Å; H441-M580 WeakPolarHBondContact CB-SD 3.43Å; P445-M580 HydrophobicContact CB-SD 3.69Å; P445-M580 HydrophobicContact CG-SD 3.81Å; K450-M580 VanDerWaalsContact CA-O 3.26Å; K450-M580 WeakPolarHBondContact CA-O 3.37Å; F453-M580 HydrophobicContact CB-CB 4.3Å; F453-M580 HydrophobicContact CB-CE 4.17Å; F453-M580 HydrophobicContact CD1-CB 3.49Å; F453-M580 VanDerWaalsContact CD1-CB 3.49Å; F453-M580 WeakPolarHBondContact CD1-O 3.43Å; F453-M580 HydrophobicContact CD2-CB 3.69Å; F453-M580 HydrophobicContact CD2-CE 3.82Å; F453-M580 HydrophobicContact CD2-CG 4.19Å; F453-M580 HydrophobicContact CE1-CB 3.57Å; F453-M580 HydrophobicContact CE2-CB 3.76Å; F453-M580 HydrophobicContact CE2-CG 4.13Å; F453-M580 HydrophobicContact CG-CB 3.56Å; F453-M580 HydrophobicContact CG-CE 4.18Å; F453-M580 HydrophobicContact CG-CG 4.49Å; F453-M580 HydrophobicContact CZ-CB 3.69Å; F453-M580 HydrophobicContact CZ-CG 4.39Å; Q577-M580 HydrophobicContact CB-CG 4.38Å; Q577-M580 PolarHBondContact O-N 3.27Å; V578-M580 PolarHBondContact O-N 2.82Å
581	M	98.2	Very high	98.2	Very high	2 Å²	2	42.2 Å²	42.2	1%	0.01	21%	0.209	C	C	.	.			trans	-83	133.9	-179.5	-52.2	174.1	-170.5	0	0	110.7	K450 F453 L457 I576 V578 K579 T583 L586 V594 V628	K450-M581 VanDerWaalsContact CE-C 3.48Å; K450-M581 WeakPolarHBondContact CE-O 3.49Å; K450-M581 PolarHBondContact NZ-O 3.37Å; F453-M581 HydrophobicContact CD1-CG 4.37Å; F453-M581 HydrophobicContact CE1-CG 3.96Å; L457-M581 HydrophobicContact CD2-CE 3.73Å; L457-M581 HydrophobicContact CD2-CG 3.76Å; L457-M581 HydrophobicContact CD2-SD 3.76Å; I576-M581 HydrophobicContact CB-CE 4.14Å; I576-M581 HydrophobicContact CG2-CE 3.68Å; I576-M581 WeakPolarHBondContact O-CE 3.24Å; V578-M581 HydrophobicContact CG1-SD 4.49Å; V578-M581 HydrophobicContact CG2-CE 4.33Å; V578-M581 HydrophobicContact CG2-SD 4.48Å; V578-M581 VanDerWaalsContact O-CB 3.26Å; V578-M581 WeakPolarHBondContact O-CB 3.45Å; V578-M581 WeakPolarHBondContact O-CG 3.21Å; V578-M581 PolarHBondContact O-N 2.86Å; K579-M581 PolarHBondContact O-N 3.34Å; M581-T583 HydrophobicContact CB-CG2 4.22Å; M581-T583 PolarHBondContact O-N 2.98Å; M581-L586 HydrophobicContact SD-CD1 4.32Å; M581-V594 HydrophobicContact CE-CG1 4.04Å; M581-V594 HydrophobicContact SD-CG1 4.43Å; M581-V628 HydrophobicContact SD-CG2 4.36Å
582	N	98.1	Very high	98.2	Very high	45 Å²	45	46.1 Å²	46.1	24%	0.241	23%	0.23	C	C	.	.			trans	-84.4	93.9	155.1	-174.2	-10.6	0	0	0	108.2	K450 T454 E584 L585	K450-N582 HydrophobicContact CB-CB 4.49Å; T454-N582 PolarHBondContact OG1-N 3.1Å; N582-E584 PolarHBondContact O-N 2.92Å; N582-E584 VanDerWaalsContact O-N 3.15Å; N582-E584 PolarHBondContact OD1-N 3Å; N582-L585 HydrophobicContact CB-CD1 3.96Å; N582-L585 HydrophobicContact CB-CG 4.13Å; N582-L585 PolarHBondContact O-N 2.87Å; N582-L585 VanDerWaalsContact O-N 3.09Å
583	T	96.5	Very high	98.2	Very high	44 Å²	44	48 Å²	48	27%	0.27	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-16.3	-172.6	56.3	0	0	0	0	113.8	M581 L585 L586 K591 V628	M581-T583 HydrophobicContact CB-CG2 4.22Å; M581-T583 PolarHBondContact O-N 2.98Å; T583-L585 VanDerWaalsContact C-N 3.34Å; T583-L586 PolarHBondContact O-N 3.07Å; T583-K591 WeakPolarHBondContact O-CE 3.45Å; T583-V628 HydrophobicContact CG2-CG1 3.46Å; T583-V628 VanDerWaalsContact CG2-CG1 3.46Å
584	E	97	Very high	98.2	Very high	173 Å²	173	47.8 Å²	47.8	81%	0.808	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-25.3	175.4	-60.5	-178.3	172.3	0	0	112.3	N582 L586	N582-E584 PolarHBondContact O-N 2.92Å; N582-E584 VanDerWaalsContact O-N 3.15Å; N582-E584 PolarHBondContact OD1-N 3Å; E584-L586 VanDerWaalsContact C-N 3.33Å
585	L	97.6	Very high	98.2	Very high	61 Å²	61	49.1 Å²	49.1	32%	0.319	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-19.2	175.4	-60.8	179.4	0	0	0	112.1	T454 Y455 K458 N582 T583	T454-L585 HydrophobicContact CG2-CB 3.86Å; T454-L585 HydrophobicContact CG2-CD1 4.24Å; Y455-L585 HydrophobicContact CE1-CD1 4.13Å; K458-L585 WeakPolarHBondContact CE-O 3.38Å; K458-L585 PolarHBondContact NZ-O 3.34Å; N582-L585 HydrophobicContact CB-CD1 3.96Å; N582-L585 HydrophobicContact CB-CG 4.13Å; N582-L585 PolarHBondContact O-N 2.87Å; N582-L585 VanDerWaalsContact O-N 3.09Å; T583-L585 VanDerWaalsContact C-N 3.34Å
586	L	98.3	Very high	98.2	Very high	12 Å²	12	50.4 Å²	50.4	6%	0.063	26%	0.257	C	S	.	.	S	Bend	trans	-77.9	129.6	-178.9	-62	-179.8	0	0	0	111.2	T454 L457 K458 M581 T583 E584 E590 K591	T454-L586 HydrophobicContact CG2-CD2 3.77Å; T454-L586 HydrophobicContact CG2-CG 4.23Å; L457-L586 HydrophobicContact CD2-CD2 4.5Å; K458-L586 HydrophobicContact CG-CD2 4.05Å; M581-L586 HydrophobicContact SD-CD1 4.32Å; T583-L586 PolarHBondContact O-N 3.07Å; E584-L586 VanDerWaalsContact C-N 3.33Å; L586-E590 WeakPolarHBondContact CA-OE2 3.49Å; L586-E590 HydrophobicContact CB-CB 4.4Å; L586-E590 HydrophobicContact CD2-CB 4.17Å; L586-K591 HydrophobicContact CB-CG 3.85Å; L586-K591 HydrophobicContact CD1-CG 4.34Å
587	T	98.4	Very high	98.2	Very high	72 Å²	72	50.8 Å²	50.8	44%	0.442	26%	0.259	S	S	.	.			trans	-67.3	160	166.1	67	0	0	0	0	110.2	K589 E590 K591	T587-K589 PolarHBondContact O-N 3.26Å; T587-E590 WeakPolarHBondContact CB-OE2 3.49Å; T587-E590 WeakPolarHBondContact CG2-OE2 3.49Å; T587-E590 PolarHBondContact N-OE2 2.98Å; T587-E590 PolarHBondContact O-N 3.34Å; T587-E590 VanDerWaalsContact O-N 3.1Å; T587-E590 WeakPolarHBondContact OG1-CG 3.31Å; T587-E590 PolarHBondContact OG1-N 2.86Å; T587-E590 PolarHBondContact OG1-OE2 3Å; T587-K591 PolarHBondContact O-N 2.93Å
588	Q	98.1	Very high	98.2	Very high	113 Å²	113	50.3 Å²	50.3	53%	0.528	26%	0.257	S	S	.	.	H	α-helix	trans	-57.6	-38.9	176.4	-170.2	59.5	47.8	0	0	112.3	E590 K591 D592	Q588-E590 VanDerWaalsContact C-N 3.31Å; Q588-E590 PolarHBondContact O-N 3.01Å; Q588-K591 PolarHBondContact O-N 2.88Å; Q588-D592 PolarHBondContact NE2-OD1 3.33Å; Q588-D592 WeakPolarHBondContact O-CB 3.37Å; Q588-D592 PolarHBondContact O-N 2.84Å
589	K	98.1	Very high	98.2	Very high	145 Å²	145	55.5 Å²	55.5	63%	0.63	27%	0.272	S	S	*	.	H	α-helix	trans	-61.1	-39.5	177.8	-175.7	-175.2	173.8	-166.7	0	112	T587 W593	T587-K589 PolarHBondContact O-N 3.26Å; K589-W593 WeakPolarHBondContact O-CB 3.09Å; K589-W593 PolarHBondContact O-N 3.31Å
590	E	98.7	Very high	98.3	Very high	25 Å²	25	55.5 Å²	55.5	12%	0.117	27%	0.269	C	S	.	.	H	α-helix	trans	-72.1	-41	178.2	-68.5	154.7	158.8	0	0	111.3	K458 I461 L586 T587 Q588 D592 W593 V594	K458-E590 WeakPolarHBondContact CG-OE1 3.48Å; K458-E590 IonicContact NZ-OE1 3.59Å; K458-E590 PolarHBondContact NZ-OE1 3.27Å; K458-E590 IonicContact NZ-OE2 3.53Å; K458-E590 PolarHBondContact NZ-OE2 2.94Å; I461-E590 HydrophobicContact CD1-CB 3.92Å; I461-E590 HydrophobicContact CD1-CG 4.21Å; I461-E590 HydrophobicContact CG2-CB 4.48Å; I461-E590 HydrophobicContact CG2-CG 3.98Å; L586-E590 WeakPolarHBondContact CA-OE2 3.49Å; L586-E590 HydrophobicContact CB-CB 4.4Å; L586-E590 HydrophobicContact CD2-CB 4.17Å; T587-E590 WeakPolarHBondContact CB-OE2 3.49Å; T587-E590 WeakPolarHBondContact CG2-OE2 3.49Å; T587-E590 PolarHBondContact N-OE2 2.98Å; T587-E590 PolarHBondContact O-N 3.34Å; T587-E590 VanDerWaalsContact O-N 3.1Å; T587-E590 WeakPolarHBondContact OG1-CG 3.31Å; T587-E590 PolarHBondContact OG1-N 2.86Å; T587-E590 PolarHBondContact OG1-OE2 3Å; Q588-E590 VanDerWaalsContact C-N 3.31Å; Q588-E590 PolarHBondContact O-N 3.01Å; E590-D592 VanDerWaalsContact C-N 3.33Å; E590-D592 PolarHBondContact O-N 2.81Å; E590-W593 PolarHBondContact O-N 3.49Å; E590-V594 WeakPolarHBondContact O-CG2 3.38Å; E590-V594 PolarHBondContact O-N 2.69Å
591	K	98.6	Very high	98.3	Very high	30 Å²	30	55.5 Å²	55.5	13%	0.13	27%	0.269	C	S	.	.	H	α-helix	trans	-58.5	-45.3	171.7	-66.3	-172.4	-178.5	-163.8	0	111.5	T583 L586 T587 Q588 W593 V594 N595 V629	T583-K591 WeakPolarHBondContact O-CE 3.45Å; L586-K591 HydrophobicContact CB-CG 3.85Å; L586-K591 HydrophobicContact CD1-CG 4.34Å; T587-K591 PolarHBondContact O-N 2.93Å; Q588-K591 PolarHBondContact O-N 2.88Å; K591-W593 VanDerWaalsContact C-N 3.32Å; K591-W593 PolarHBondContact O-N 3.02Å; K591-V594 PolarHBondContact O-N 2.86Å; K591-N595 WeakPolarHBondContact O-CB 3.47Å; K591-N595 PolarHBondContact O-N 3.14Å; K591-N595 PolarHBondContact O-ND2 3.47Å; K591-V629 VanDerWaalsContact NZ-C 3.29Å; K591-V629 PolarHBondContact NZ-O 3.45Å; K591-V629 PolarHBondContact NZ-OXT 2.76Å
592	D	98.5	Very high	98.4	Very high	90 Å²	90	59.1 Å²	59.1	48%	0.481	28%	0.283	S	S	.	.	H	α-helix	trans	-63.1	-38.6	177.7	-67.6	-16.2	0	0	0	111.7	Q588 E590 G596	Q588-D592 PolarHBondContact NE2-OD1 3.33Å; Q588-D592 WeakPolarHBondContact O-CB 3.37Å; Q588-D592 PolarHBondContact O-N 2.84Å; E590-D592 VanDerWaalsContact C-N 3.33Å; E590-D592 PolarHBondContact O-N 2.81Å; D592-G596 PolarHBondContact O-N 3.48Å
593	W	98.7	Very high	98.4	Very high	44 Å²	44	62.8 Å²	62.8	17%	0.167	30%	0.299	C	S	.	.	H	α-helix	trans	-63.2	-49.1	174.5	-174.8	98.7	0	0	0	111.4	H460 I461 S464 I576 K589 E590 K591 N595 G596 Y597	H460-W593 AromaticContact CD2-CH2 3.74Å; H460-W593 AromaticContact NE2-CH2 3.76Å; I461-W593 HydrophobicContact CB-CD2 4.47Å; I461-W593 HydrophobicContact CD1-CD2 4.47Å; I461-W593 HydrophobicContact CD1-CE3 3.87Å; I461-W593 HydrophobicContact CD1-CZ3 4.39Å; I461-W593 HydrophobicContact CG1-CD2 3.88Å; I461-W593 HydrophobicContact CG1-CE3 3.5Å; I461-W593 VanDerWaalsContact CG1-CE3 3.5Å; I461-W593 HydrophobicContact CG1-CG 4.46Å; I461-W593 HydrophobicContact CG1-CH2 4.43Å; I461-W593 HydrophobicContact CG1-CZ3 3.81Å; I461-W593 HydrophobicContact CG2-CB 4.02Å; I461-W593 HydrophobicContact CG2-CD2 4.08Å; I461-W593 HydrophobicContact CG2-CG 3.84Å; S464-W593 WeakPolarHBondContact OG-CZ2 3.37Å; I576-W593 HydrophobicContact CD1-CZ3 4.22Å; K589-W593 WeakPolarHBondContact O-CB 3.09Å; K589-W593 PolarHBondContact O-N 3.31Å; E590-W593 PolarHBondContact O-N 3.49Å; K591-W593 VanDerWaalsContact C-N 3.32Å; K591-W593 PolarHBondContact O-N 3.02Å; W593-N595 VanDerWaalsContact C-N 3.33Å; W593-N595 PolarHBondContact O-N 2.83Å; W593-G596 PolarHBondContact O-N 2.83Å; W593-Y597 HydrophobicContact CH2-CD2 4.26Å; W593-Y597 HydrophobicContact CH2-CG 4.12Å; W593-Y597 HydrophobicContact CZ3-CD1 4.47Å; W593-Y597 HydrophobicContact CZ3-CG 4.19Å; W593-Y597 WeakPolarHBondContact O-CB 3.28Å; W593-Y597 PolarHBondContact O-N 2.94Å
594	V	98.8	Very high	98.5	Very high	1 Å²	1	63.1 Å²	63.1	1%	0.006	30%	0.3	C	S	.	.	H	α-helix	trans	-59.3	-47.1	178.5	172.8	0	0	0	0	110.2	L457 I461 M581 E590 K591 G596 Y597 H598 V628	L457-V594 HydrophobicContact CD2-CG2 4.39Å; I461-V594 HydrophobicContact CD1-CG2 3.84Å; M581-V594 HydrophobicContact CE-CG1 4.04Å; M581-V594 HydrophobicContact SD-CG1 4.43Å; E590-V594 WeakPolarHBondContact O-CG2 3.38Å; E590-V594 PolarHBondContact O-N 2.69Å; K591-V594 PolarHBondContact O-N 2.86Å; V594-G596 VanDerWaalsContact C-N 3.34Å; V594-G596 PolarHBondContact O-N 2.88Å; V594-Y597 PolarHBondContact O-N 2.87Å; V594-H598 WeakPolarHBondContact O-CB 3.33Å; V594-H598 PolarHBondContact O-N 2.86Å; V594-V628 HydrophobicContact CG1-CG2 3.85Å
595	N	98.8	Very high	98.6	Very high	28 Å²	28	54.9 Å²	54.9	15%	0.15	26%	0.262	C	S	.	.	H	α-helix	trans	-62.9	-39.4	178.8	-71.6	-20	0	0	0	112.4	K591 W593 R599 P627 V628	K591-N595 WeakPolarHBondContact O-CB 3.47Å; K591-N595 PolarHBondContact O-N 3.14Å; K591-N595 PolarHBondContact O-ND2 3.47Å; W593-N595 VanDerWaalsContact C-N 3.33Å; W593-N595 PolarHBondContact O-N 2.83Å; N595-R599 VanDerWaalsContact O-CB 3.28Å; N595-R599 WeakPolarHBondContact O-CB 3.37Å; N595-R599 PolarHBondContact O-N 3.38Å; N595-P627 VanDerWaalsContact OD1-CA 3.24Å; N595-P627 WeakPolarHBondContact OD1-CA 3.31Å; N595-V628 PolarHBondContact ND2-O 2.96Å; N595-V628 PolarHBondContact OD1-N 3.3Å
596	G	98.8	Very high	98.6	Very high	36 Å²	36	52.2 Å²	52.2	37%	0.371	25%	0.249	S	C	.	.	H	α-helix	trans	-65.8	-44.3	174.4	0	0	0	0	0	112.5	D592 W593 V594 R599 R600	D592-G596 PolarHBondContact O-N 3.48Å; W593-G596 PolarHBondContact O-N 2.83Å; V594-G596 VanDerWaalsContact C-N 3.34Å; V594-G596 PolarHBondContact O-N 2.88Å; G596-R599 PolarHBondContact O-N 3.35Å; G596-R600 PolarHBondContact O-N 3Å; G596-R600 VanDerWaalsContact O-N 3.08Å
597	Y	98.9	Very high	98.7	Very high	10 Å²	10	54.3 Å²	54.3	4%	0.039	27%	0.268	C	S	.	.	H	α-helix	trans	-62.3	-50.7	177	175.9	-103.3	0	0	0	111.9	R438 N547 P570 T572 L573 V574 I576 W593 V594 R599 R600 C601	R438-Y597 PolarHBondContact NH2-OH 3.09Å; N547-Y597 PolarHBondContact OD1-OH 2.89Å; P570-Y597 HydrophobicContact CB-CD2 4.37Å; P570-Y597 HydrophobicContact CB-CE2 3.99Å; P570-Y597 HydrophobicContact CG-CD2 4.31Å; P570-Y597 HydrophobicContact CG-CE2 4.38Å; T572-Y597 WeakPolarHBondContact O-CE2 3.47Å; T572-Y597 PolarHBondContact O-OH 3.42Å; L573-Y597 HydrophobicContact CD2-CE2 4.17Å; V574-Y597 PolarHBondContact N-OH 2.95Å; V574-Y597 WeakPolarHBondContact O-CE1 3.47Å; V574-Y597 PolarHBondContact O-OH 2.93Å; I576-Y597 HydrophobicContact CD1-CD1 4.44Å; I576-Y597 HydrophobicContact CD1-CE1 4.23Å; I576-Y597 HydrophobicContact CG1-CE1 4.16Å; W593-Y597 HydrophobicContact CH2-CD2 4.26Å; W593-Y597 HydrophobicContact CH2-CG 4.12Å; W593-Y597 HydrophobicContact CZ3-CD1 4.47Å; W593-Y597 HydrophobicContact CZ3-CG 4.19Å; W593-Y597 WeakPolarHBondContact O-CB 3.28Å; W593-Y597 PolarHBondContact O-N 2.94Å; V594-Y597 PolarHBondContact O-N 2.87Å; Y597-R599 VanDerWaalsContact C-N 3.35Å; Y597-R599 PolarHBondContact O-N 3.31Å; Y597-R600 WeakPolarHBondContact O-CB 3.13Å; Y597-R600 PolarHBondContact O-N 3.19Å; Y597-R600 VanDerWaalsContact O-N 3.16Å; Y597-C601 VanDerWaalsContact CE1-SG 3.57Å; Y597-C601 VanDerWaalsContact CZ-SG 3.59Å; Y597-C601 PolarHBondContact O-N 3.48Å; Y597-C601 PolarHBondContact O-SG 3.39Å
598	H	98.9	Very high	98.7	Very high	0 Å²	0	52 Å²	52	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-62.3	-39.3	178	-77.1	177.3	0	0	0	112.6	I576 V594 R600 C601 R602 T625	I576-H598 PolarHBondContact N-NE2 3.36Å; I576-H598 PolarHBondContact O-CE1 3.4Å; I576-H598 VanDerWaalsContact O-CE1 3.25Å; I576-H598 PolarHBondContact O-NE2 3.19Å; V594-H598 WeakPolarHBondContact O-CB 3.33Å; V594-H598 PolarHBondContact O-N 2.86Å; H598-R600 VanDerWaalsContact C-N 3.33Å; H598-R600 PolarHBondContact O-N 2.88Å; H598-C601 WeakPolarHBondContact O-CB 3.33Å; H598-C601 PolarHBondContact O-N 3.34Å; H598-R602 PolarHBondContact O-N 3.48Å; H598-T625 HydrophobicContact CB-CG2 4.02Å; H598-T625 WeakPolarHBondContact O-CG2 3.4Å
599	R	98.8	Very high	98.7	Very high	152 Å²	152	46.6 Å²	46.6	57%	0.574	23%	0.227	S	C	*	.	H	α-helix	trans	-58.9	-46.7	173.2	-174.1	-171.6	-51.9	178.6	4.1	111.1	N595 G596 Y597 C601 R602 E603	N595-R599 VanDerWaalsContact O-CB 3.28Å; N595-R599 WeakPolarHBondContact O-CB 3.37Å; N595-R599 PolarHBondContact O-N 3.38Å; G596-R599 PolarHBondContact O-N 3.35Å; Y597-R599 VanDerWaalsContact C-N 3.35Å; Y597-R599 PolarHBondContact O-N 3.31Å; R599-C601 VanDerWaalsContact C-N 3.35Å; R599-C601 PolarHBondContact O-N 2.85Å; R599-R602 WeakPolarHBondContact O-CB 3.41Å; R599-R602 PolarHBondContact O-N 3.33Å; R599-E603 WeakPolarHBondContact CD-OE1 3.34Å; R599-E603 HydrophobicContact CG-CG 4.43Å; R599-E603 WeakPolarHBondContact CG-OE1 3.32Å; R599-E603 WeakPolarHBondContact O-CG 3.39Å; R599-E603 PolarHBondContact O-N 3.1Å
600	R	98.7	Very high	98.7	Very high	83 Å²	83	45.9 Å²	45.9	31%	0.313	23%	0.226	S	C	.	.	H	α-helix	trans	-62.6	-40.6	177.3	-176.1	176.4	171.1	157.2	-0.6	112.2	E569 L573 G596 Y597 H598 R602 E603 V604	E569-R600 IonicContact OE1-CZ 3.62Å; E569-R600 IonicContact OE1-NH1 3.86Å; E569-R600 PolarHBondContact OE1-NH1 3.25Å; E569-R600 IonicContact OE1-NH2 3.1Å; E569-R600 PolarHBondContact OE1-NH2 2.67Å; L573-R600 HydrophobicContact CD2-CG 4Å; G596-R600 PolarHBondContact O-N 3Å; G596-R600 VanDerWaalsContact O-N 3.08Å; Y597-R600 WeakPolarHBondContact O-CB 3.13Å; Y597-R600 PolarHBondContact O-N 3.19Å; Y597-R600 VanDerWaalsContact O-N 3.16Å; H598-R600 VanDerWaalsContact C-N 3.33Å; H598-R600 PolarHBondContact O-N 2.88Å; R600-R602 VanDerWaalsContact C-N 3.35Å; R600-E603 PolarHBondContact O-N 2.9Å; R600-V604 HydrophobicContact CG-CG2 4.16Å; R600-V604 WeakPolarHBondContact O-CB 3.45Å; R600-V604 WeakPolarHBondContact O-CG2 3.37Å; R600-V604 PolarHBondContact O-N 3.29Å
601	C	98.9	Very high	98.7	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-57.3	-49.8	173.2	-62.8	0	0	0	0	110.6	Y597 H598 R599 E603 I605 L621 T625	Y597-C601 VanDerWaalsContact CE1-SG 3.57Å; Y597-C601 VanDerWaalsContact CZ-SG 3.59Å; Y597-C601 PolarHBondContact O-N 3.48Å; Y597-C601 PolarHBondContact O-SG 3.39Å; H598-C601 WeakPolarHBondContact O-CB 3.33Å; H598-C601 PolarHBondContact O-N 3.34Å; R599-C601 VanDerWaalsContact C-N 3.35Å; R599-C601 PolarHBondContact O-N 2.85Å; C601-E603 PolarHBondContact O-N 2.89Å; C601-I605 WeakPolarHBondContact O-CA 3.45Å; C601-I605 VanDerWaalsContact O-CB 3.24Å; C601-I605 WeakPolarHBondContact O-CB 3.5Å; C601-I605 PolarHBondContact O-N 3.26Å; C601-L621 HydrophobicContact CB-CD1 4.38Å; C601-T625 HydrophobicContact CB-CG2 4.18Å
602	R	98.7	Very high	98.7	Very high	78 Å²	78	54 Å²	54	29%	0.294	26%	0.257	S	S	.	.	H	α-helix	trans	-59.7	-44.9	178.4	-172.1	-170.6	-62.7	170.5	-6.1	112.6	H598 R599 R600 G606 V622 T625	H598-R602 PolarHBondContact O-N 3.48Å; R599-R602 WeakPolarHBondContact O-CB 3.41Å; R599-R602 PolarHBondContact O-N 3.33Å; R600-R602 VanDerWaalsContact C-N 3.35Å; R602-G606 WeakPolarHBondContact O-CA 3.47Å; R602-G606 PolarHBondContact O-N 3.4Å; R602-V622 HydrophobicContact CG-CG2 4.41Å; R602-V622 PolarHBondContact NH2-O 3.28Å; R602-T625 HydrophobicContact CB-CG2 4.39Å; R602-T625 PolarHBondContact NE-OG1 3.14Å; R602-T625 PolarHBondContact NH2-O 3.24Å; R602-T625 PolarHBondContact NH2-OG1 3.27Å; R602-T625 VanDerWaalsContact NH2-OG1 3.13Å
603	E	98.6	Very high	98.7	Very high	121 Å²	121	52.2 Å²	52.2	57%	0.565	26%	0.26	S	S	*	.	H	α-helix	trans	-67.9	-49.9	-177.6	-73.3	170.5	-178.9	0	0	111.8	R599 R600 C601 A607	R599-E603 WeakPolarHBondContact CD-OE1 3.34Å; R599-E603 HydrophobicContact CG-CG 4.43Å; R599-E603 WeakPolarHBondContact CG-OE1 3.32Å; R599-E603 WeakPolarHBondContact O-CG 3.39Å; R599-E603 PolarHBondContact O-N 3.1Å; R600-E603 PolarHBondContact O-N 2.9Å; C601-E603 PolarHBondContact O-N 2.89Å; E603-A607 WeakPolarHBondContact O-CB 3.46Å; E603-A607 PolarHBondContact O-N 2.87Å
604	V	98.8	Very high	98.7	Very high	51 Å²	51	52.4 Å²	52.4	31%	0.309	26%	0.262	S	S	.	.	H	α-helix	trans	-79.1	-51.7	-173.8	-179	0	0	0	0	111.3	I344 L573 R600 E608	I344-V604 HydrophobicContact CD1-CG1 3.92Å; I344-V604 HydrophobicContact CG1-CG1 3.94Å; L573-V604 HydrophobicContact CD1-CB 3.8Å; L573-V604 HydrophobicContact CD1-CG1 3.81Å; L573-V604 HydrophobicContact CD1-CG2 4.13Å; R600-V604 HydrophobicContact CG-CG2 4.16Å; R600-V604 WeakPolarHBondContact O-CB 3.45Å; R600-V604 WeakPolarHBondContact O-CG2 3.37Å; R600-V604 PolarHBondContact O-N 3.29Å; V604-E608 PolarHBondContact O-N 3.49Å
605	I	98.8	Very high	98.7	Very high	0 Å²	0	57 Å²	57	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-78.4	-31.6	-175.8	-51.6	-52.1	0	0	0	110.6	I344 A347 V348 L573 C601 A607 E608 L609 L621	I344-I605 HydrophobicContact CB-CD1 4.28Å; I344-I605 HydrophobicContact CG1-CD1 4.15Å; I344-I605 HydrophobicContact CG2-CD1 4.18Å; A347-I605 HydrophobicContact CB-CD1 3.66Å; A347-I605 HydrophobicContact CB-CG1 3.89Å; A347-I605 HydrophobicContact CB-CG2 4.27Å; V348-I605 HydrophobicContact CG2-CG2 4.16Å; L573-I605 HydrophobicContact CB-CD1 3.94Å; L573-I605 HydrophobicContact CB-CG1 3.7Å; L573-I605 HydrophobicContact CD1-CD1 4.19Å; L573-I605 HydrophobicContact CD1-CG1 4.42Å; L573-I605 WeakPolarHBondContact O-CG1 3.37Å; C601-I605 WeakPolarHBondContact O-CA 3.45Å; C601-I605 VanDerWaalsContact O-CB 3.24Å; C601-I605 WeakPolarHBondContact O-CB 3.5Å; C601-I605 PolarHBondContact O-N 3.26Å; I605-A607 PolarHBondContact O-N 3.34Å; I605-E608 PolarHBondContact O-N 2.92Å; I605-L609 HydrophobicContact CG2-CD1 3.99Å; I605-L609 HydrophobicContact CG2-CG 4.17Å; I605-L609 WeakPolarHBondContact O-CB 3.43Å; I605-L609 VanDerWaalsContact O-CG 3.31Å; I605-L609 WeakPolarHBondContact O-CG 3.45Å; I605-L609 PolarHBondContact O-N 2.69Å; I605-L621 HydrophobicContact CB-CD2 3.92Å; I605-L621 HydrophobicContact CG2-CD2 4.08Å
606	G	98.8	Very high	98.6	Very high	5 Å²	5	60.9 Å²	60.9	5%	0.052	30%	0.302	C	S	.	.	H	α-helix	trans	-62.1	-42.9	174.5	0	0	0	0	0	112.5	R602 E608 L609 E610	R602-G606 WeakPolarHBondContact O-CA 3.47Å; R602-G606 PolarHBondContact O-N 3.4Å; G606-E608 VanDerWaalsContact C-N 3.31Å; G606-E608 PolarHBondContact O-N 2.91Å; G606-L609 PolarHBondContact O-N 3.42Å; G606-E610 WeakPolarHBondContact O-CB 3.47Å; G606-E610 PolarHBondContact O-N 3.38Å
607	A	98.7	Very high	98.6	Very high	56 Å²	56	59.3 Å²	59.3	46%	0.463	29%	0.285	S	S	.	.	H	α-helix	trans	-61.8	-39.2	174.7	0	0	0	0	0	112.2	E603 I605 R611	E603-A607 WeakPolarHBondContact O-CB 3.46Å; E603-A607 PolarHBondContact O-N 2.87Å; I605-A607 PolarHBondContact O-N 3.34Å; A607-R611 WeakPolarHBondContact O-CB 3.42Å; A607-R611 PolarHBondContact O-N 2.84Å
608	E	98.8	Very high	98.6	Very high	23 Å²	23	60.1 Å²	60.1	11%	0.107	29%	0.29	C	S	.	.	H	α-helix	trans	-71.6	-40.6	178	-178.2	64.2	-170	0	0	112.6	I344 V348 V604 I605 G606 E610 R611 Q612	I344-E608 HydrophobicContact CG2-CB 3.98Å; I344-E608 HydrophobicContact CG2-CG 3.73Å; V348-E608 HydrophobicContact CG2-CB 4.12Å; V348-E608 HydrophobicContact CG2-CG 3.53Å; V604-E608 PolarHBondContact O-N 3.49Å; I605-E608 PolarHBondContact O-N 2.92Å; G606-E608 VanDerWaalsContact C-N 3.31Å; G606-E608 PolarHBondContact O-N 2.91Å; E608-E610 VanDerWaalsContact C-N 3.34Å; E608-E610 PolarHBondContact O-N 2.67Å; E608-R611 WeakPolarHBondContact O-CB 3.38Å; E608-R611 PolarHBondContact O-N 2.81Å; E608-R611 IonicContact OE1-CZ 2.75Å; E608-R611 IonicContact OE1-NE 3.48Å; E608-R611 PolarHBondContact OE1-NE 3.46Å; E608-R611 IonicContact OE1-NH2 3.37Å; E608-R611 PolarHBondContact OE1-NH2 2.68Å; E608-R611 IonicContact OE2-CZ 3.5Å; E608-R611 IonicContact OE2-NE 3.32Å; E608-R611 PolarHBondContact OE2-NE 3.29Å; E608-R611 IonicContact OE2-NH2 3.44Å; E608-Q612 WeakPolarHBondContact O-CG 3.48Å; E608-Q612 PolarHBondContact O-N 3.06Å; E608-Q612 PolarHBondContact OE1-NE2 3.08Å
609	L	98.8	Very high	98.6	Very high	0 Å²	0	66.6 Å²	66.6	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-60.6	-43.6	174	-75.1	166.9	0	0	0	111.4	V348 C351 I605 G606 Q612 G613 K614 A617 L618 L621	V348-L609 HydrophobicContact CB-CD2 4.29Å; V348-L609 HydrophobicContact CG1-CD2 3.76Å; V348-L609 HydrophobicContact CG2-CD2 4.21Å; V348-L609 HydrophobicContact CG2-CG 4.29Å; C351-L609 HydrophobicContact CB-CD1 4.1Å; C351-L609 HydrophobicContact CB-CD2 4.48Å; I605-L609 HydrophobicContact CG2-CD1 3.99Å; I605-L609 HydrophobicContact CG2-CG 4.17Å; I605-L609 WeakPolarHBondContact O-CB 3.43Å; I605-L609 VanDerWaalsContact O-CG 3.31Å; I605-L609 WeakPolarHBondContact O-CG 3.45Å; I605-L609 PolarHBondContact O-N 2.69Å; G606-L609 PolarHBondContact O-N 3.42Å; L609-Q612 CarbonylContact O-C 3.29Å; L609-Q612 PolarHBondContact O-N 3.18Å; L609-G613 PolarHBondContact O-N 2.96Å; L609-K614 HydrophobicContact CB-CB 4.4Å; L609-K614 HydrophobicContact CD2-CB 3.62Å; L609-K614 HydrophobicContact CD2-CG 4.29Å; L609-K614 PolarHBondContact O-N 3.24Å; L609-A617 HydrophobicContact CD1-CB 4.4Å; L609-A617 HydrophobicContact CD2-CB 3.79Å; L609-L618 HydrophobicContact CB-CB 4.17Å; L609-L618 HydrophobicContact CB-CD1 4.46Å; L609-L618 HydrophobicContact CD1-CB 4.43Å; L609-L621 HydrophobicContact CD1-CB 4.24Å; L609-L621 HydrophobicContact CD1-CD2 3.72Å
610	E	98.6	Very high	98.6	Very high	131 Å²	131	60 Å²	60	61%	0.612	30%	0.295	S	S	*	.	H	α-helix	trans	-61.7	-45.7	174.7	-174.8	172.5	-148.7	0	0	111	G606 E608 Q612 G613 L618	G606-E610 WeakPolarHBondContact O-CB 3.47Å; G606-E610 PolarHBondContact O-N 3.38Å; E608-E610 VanDerWaalsContact C-N 3.34Å; E608-E610 PolarHBondContact O-N 2.67Å; E610-Q612 VanDerWaalsContact C-N 3.27Å; E610-Q612 PolarHBondContact O-N 2.79Å; E610-G613 PolarHBondContact O-N 3.49Å; E610-L618 HydrophobicContact CB-CD2 4.29Å
611	R	98.6	Very high	98.6	Very high	171 Å²	171	56 Å²	56	65%	0.645	28%	0.28	S	S	*	.	H	α-helix	trans	-59.6	-36.2	176.4	-166.6	-168.6	70.3	73.1	-2.4	112.6	A607 E608	A607-R611 WeakPolarHBondContact O-CB 3.42Å; A607-R611 PolarHBondContact O-N 2.84Å; E608-R611 WeakPolarHBondContact O-CB 3.38Å; E608-R611 PolarHBondContact O-N 2.81Å; E608-R611 IonicContact OE1-CZ 2.75Å; E608-R611 IonicContact OE1-NE 3.48Å; E608-R611 PolarHBondContact OE1-NE 3.46Å; E608-R611 IonicContact OE1-NH2 3.37Å; E608-R611 PolarHBondContact OE1-NH2 2.68Å; E608-R611 IonicContact OE2-CZ 3.5Å; E608-R611 IonicContact OE2-NE 3.32Å; E608-R611 PolarHBondContact OE2-NE 3.29Å; E608-R611 IonicContact OE2-NH2 3.44Å
612	Q	98.6	Very high	98.6	Very high	55 Å²	55	58.8 Å²	58.8	26%	0.257	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-3.1	176.9	-65.2	-169.3	27	0	0	113.5	E608 L609 E610 K614	E608-Q612 WeakPolarHBondContact O-CG 3.48Å; E608-Q612 PolarHBondContact O-N 3.06Å; E608-Q612 PolarHBondContact OE1-NE2 3.08Å; L609-Q612 CarbonylContact O-C 3.29Å; L609-Q612 PolarHBondContact O-N 3.18Å; E610-Q612 VanDerWaalsContact C-N 3.27Å; E610-Q612 PolarHBondContact O-N 2.79Å; Q612-K614 VanDerWaalsContact C-N 3.34Å; Q612-K614 HydrophobicContact CB-CG 3.86Å
613	G	98.4	Very high	98.6	Very high	52 Å²	52	60.8 Å²	60.8	54%	0.536	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.7	20.1	-178.6	0	0	0	0	0	114.8	L609 E610 M615	L609-G613 PolarHBondContact O-N 2.96Å; E610-G613 PolarHBondContact O-N 3.49Å; G613-M615 VanDerWaalsContact C-N 3.34Å; G613-M615 PolarHBondContact O-N 3.15Å; G613-M615 VanDerWaalsContact O-N 3.12Å
614	K	98.3	Very high	98.6	Very high	48 Å²	48	56.3 Å²	56.3	21%	0.209	28%	0.284	C	S	.	.			trans	-88.4	64.1	-174.8	-59	-62	-165.7	144.4	0	111.9	E352 L609 Q612 E616 A617 L618	E352-K614 WeakPolarHBondContact OE1-CE 3.42Å; E352-K614 IonicContact OE1-NZ 3.49Å; E352-K614 PolarHBondContact OE1-NZ 3.3Å; E352-K614 WeakPolarHBondContact OE2-CD 3.35Å; E352-K614 WeakPolarHBondContact OE2-CE 3.48Å; E352-K614 IonicContact OE2-NZ 3.61Å; E352-K614 PolarHBondContact OE2-NZ 2.8Å; L609-K614 HydrophobicContact CB-CB 4.4Å; L609-K614 HydrophobicContact CD2-CB 3.62Å; L609-K614 HydrophobicContact CD2-CG 4.29Å; L609-K614 PolarHBondContact O-N 3.24Å; Q612-K614 VanDerWaalsContact C-N 3.34Å; Q612-K614 HydrophobicContact CB-CG 3.86Å; K614-E616 PolarHBondContact O-N 3.41Å; K614-A617 HydrophobicContact CB-CB 4.48Å; K614-A617 PolarHBondContact O-N 3.39Å; K614-L618 PolarHBondContact O-N 3.36Å
615	M	98.1	Very high	98.5	Very high	97 Å²	97	54 Å²	54	48%	0.478	27%	0.27	S	S	.	.	H	α-helix	trans	-66.4	-34.1	-169	-61.6	-56	-68.2	0	0	115	G613 L618 Q619	G613-M615 VanDerWaalsContact C-N 3.34Å; G613-M615 PolarHBondContact O-N 3.15Å; G613-M615 VanDerWaalsContact O-N 3.12Å; M615-L618 HydrophobicContact CE-CD2 4.02Å; M615-L618 PolarHBondContact O-N 3.36Å; M615-L618 HydrophobicContact SD-CD2 4.13Å; M615-Q619 WeakPolarHBondContact O-CG 3.26Å; M615-Q619 PolarHBondContact O-N 3.41Å
616	E	98	Very high	98.5	Very high	110 Å²	110	58.4 Å²	58.4	51%	0.514	29%	0.291	S	S	.	.	H	α-helix	trans	-64.7	-46.4	177.6	-173.4	170.9	-166.4	0	0	110.7	K359 K614 L618 Q619 W620	K359-E616 IonicContact NZ-OE1 3.81Å; K359-E616 PolarHBondContact NZ-OE1 3.19Å; K359-E616 VanDerWaalsContact NZ-OE1 3.07Å; K614-E616 PolarHBondContact O-N 3.41Å; E616-L618 VanDerWaalsContact C-N 3.34Å; E616-L618 PolarHBondContact O-N 2.91Å; E616-Q619 PolarHBondContact O-N 3.39Å; E616-W620 PolarHBondContact O-N 2.66Å
617	A	98.6	Very high	98.3	Very high	3 Å²	3	62 Å²	62	3%	0.025	31%	0.313	C	S	.	.	H	α-helix	trans	-66.2	-33.4	174.9	0	0	0	0	0	112.9	C351 E352 L609 K614 W620 L621	C351-A617 HydrophobicContact CB-CB 4.23Å; E352-A617 HydrophobicContact CB-CB 4.4Å; E352-A617 HydrophobicContact CG-CB 3.71Å; L609-A617 HydrophobicContact CD1-CB 4.4Å; L609-A617 HydrophobicContact CD2-CB 3.79Å; K614-A617 HydrophobicContact CB-CB 4.48Å; K614-A617 PolarHBondContact O-N 3.39Å; A617-W620 WeakPolarHBondContact O-CB 3.49Å; A617-W620 PolarHBondContact O-N 2.86Å; A617-L621 WeakPolarHBondContact O-CB 3.29Å; A617-L621 PolarHBondContact O-N 3.11Å
618	L	98.7	Very high	98.1	Very high	27 Å²	27	59.8 Å²	59.8	14%	0.141	29%	0.294	C	S	.	.	H	α-helix	trans	-63.7	-44.7	173.1	177.8	61.3	0	0	0	111.8	L609 E610 K614 M615 E616 W620 L621 V622	L609-L618 HydrophobicContact CB-CB 4.17Å; L609-L618 HydrophobicContact CB-CD1 4.46Å; L609-L618 HydrophobicContact CD1-CB 4.43Å; E610-L618 HydrophobicContact CB-CD2 4.29Å; K614-L618 PolarHBondContact O-N 3.36Å; M615-L618 HydrophobicContact CE-CD2 4.02Å; M615-L618 PolarHBondContact O-N 3.36Å; M615-L618 HydrophobicContact SD-CD2 4.13Å; E616-L618 VanDerWaalsContact C-N 3.34Å; E616-L618 PolarHBondContact O-N 2.91Å; L618-W620 VanDerWaalsContact C-N 3.33Å; L618-L621 PolarHBondContact O-N 3.08Å; L618-V622 HydrophobicContact CD1-CG2 4.44Å; L618-V622 WeakPolarHBondContact O-CG2 3.26Å; L618-V622 PolarHBondContact O-N 2.8Å
619	Q	98.6	Very high	97.3	Very high	136 Å²	136	65.9 Å²	65.9	64%	0.636	33%	0.332	S	S	*	.	H	α-helix	trans	-62.4	-42.6	176.4	-71.6	173.4	6.5	0	0	111.5	M615 E616 V622 R623	M615-Q619 WeakPolarHBondContact O-CG 3.26Å; M615-Q619 PolarHBondContact O-N 3.41Å; E616-Q619 PolarHBondContact O-N 3.39Å; Q619-V622 PolarHBondContact O-N 3.17Å; Q619-R623 PolarHBondContact O-N 2.88Å
620	W	98.7	Very high	97.2	Very high	12 Å²	12	69.2 Å²	69.2	5%	0.045	35%	0.349	C	S	.	.	H	α-helix	trans	-56.7	-51.6	171.8	176.5	92.5	0	0	0	111.3	C351 F354 A355 E358 P575 E616 A617 L618 V622 R623 E624	C351-W620 HydrophobicContact CB-CE3 4Å; C351-W620 HydrophobicContact CB-CZ3 3.95Å; F354-W620 HydrophobicContact CB-CD2 4.42Å; F354-W620 HydrophobicContact CB-CH2 3.71Å; F354-W620 HydrophobicContact CB-CZ2 3.19Å; F354-W620 HydrophobicContact CB-CZ3 4.48Å; F354-W620 AromaticContact CD2-CH2 3.91Å; F354-W620 HydrophobicContact CD2-CH2 3.91Å; F354-W620 HydrophobicContact CD2-CZ2 4.14Å; F354-W620 HydrophobicContact CG-CH2 4.18Å; F354-W620 AromaticContact CG-CZ2 3.93Å; F354-W620 HydrophobicContact CG-CZ2 3.93Å; A355-W620 HydrophobicContact CB-CB 3.69Å; A355-W620 HydrophobicContact CB-CD2 4.39Å; A355-W620 HydrophobicContact CB-CG 3.71Å; E358-W620 VanDerWaalsContact CD-NE1 3.26Å; E358-W620 PolarHBondContact OE1-NE1 2.89Å; P575-W620 HydrophobicContact CB-CH2 4.23Å; P575-W620 HydrophobicContact CG-CH2 3.85Å; P575-W620 HydrophobicContact CG-CZ3 3.85Å; E616-W620 PolarHBondContact O-N 2.66Å; A617-W620 WeakPolarHBondContact O-CB 3.49Å; A617-W620 PolarHBondContact O-N 2.86Å; L618-W620 VanDerWaalsContact C-N 3.33Å; W620-V622 VanDerWaalsContact C-N 3.33Å; W620-V622 PolarHBondContact O-N 2.93Å; W620-R623 WeakPolarHBondContact O-CB 3.44Å; W620-R623 PolarHBondContact O-N 3.17Å; W620-R623 VanDerWaalsContact O-N 3.08Å; W620-E624 HydrophobicContact CD2-CG 3.99Å; W620-E624 VanDerWaalsContact CE2-CG 3.45Å; W620-E624 HydrophobicContact CG-CG 4.4Å; W620-E624 HydrophobicContact CH2-CB 4.37Å; W620-E624 HydrophobicContact CH2-CG 4.24Å; W620-E624 HydrophobicContact CZ2-CB 4.19Å; W620-E624 HydrophobicContact CZ2-CG 3.59Å; W620-E624 PolarHBondContact O-N 3.12Å
621	L	98.8	Very high	97.1	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-58.7	-42.9	-179	176.3	64.1	0	0	0	112.1	P575 C601 I605 L609 A617 L618 R623 E624 T625	P575-L621 HydrophobicContact CG-CD1 3.49Å; P575-L621 VanDerWaalsContact CG-CD1 3.49Å; C601-L621 HydrophobicContact CB-CD1 4.38Å; I605-L621 HydrophobicContact CB-CD2 3.92Å; I605-L621 HydrophobicContact CG2-CD2 4.08Å; L609-L621 HydrophobicContact CD1-CB 4.24Å; L609-L621 HydrophobicContact CD1-CD2 3.72Å; A617-L621 WeakPolarHBondContact O-CB 3.29Å; A617-L621 PolarHBondContact O-N 3.11Å; L618-L621 PolarHBondContact O-N 3.08Å; L621-R623 VanDerWaalsContact C-N 3.29Å; L621-R623 PolarHBondContact O-N 3.32Å; L621-E624 PolarHBondContact O-N 2.81Å; L621-T625 HydrophobicContact CD1-CG2 3.68Å; L621-T625 HydrophobicContact CG-CG2 4.38Å; L621-T625 WeakPolarHBondContact O-CB 3.48Å; L621-T625 VanDerWaalsContact O-CG2 3.24Å; L621-T625 WeakPolarHBondContact O-CG2 3.44Å; L621-T625 PolarHBondContact O-N 2.86Å; L621-T625 VanDerWaalsContact O-N 3.12Å; L621-T625 PolarHBondContact O-OG1 3.11Å
622	V	98.5	Very high	97.1	Very high	58 Å²	58	60.1 Å²	60.1	35%	0.352	32%	0.318	S	S	.	.	H	α-helix	trans	-61.9	-39.2	178.4	169.9	0	0	0	0	111.4	R602 L618 Q619 W620 T625 Q626	R602-V622 HydrophobicContact CG-CG2 4.41Å; R602-V622 PolarHBondContact NH2-O 3.28Å; L618-V622 HydrophobicContact CD1-CG2 4.44Å; L618-V622 WeakPolarHBondContact O-CG2 3.26Å; L618-V622 PolarHBondContact O-N 2.8Å; Q619-V622 PolarHBondContact O-N 3.17Å; W620-V622 VanDerWaalsContact C-N 3.33Å; W620-V622 PolarHBondContact O-N 2.93Å; V622-T625 PolarHBondContact O-OG1 3Å; V622-Q626 PolarHBondContact O-NE2 3.45Å
623	R	98.4	Very high	97	Very high	120 Å²	120	60.4 Å²	60.4	45%	0.453	32%	0.321	S	S	.	.	H	α-helix	trans	-70.7	-44.2	178.5	-170.4	-172.8	64.3	-118.7	-10	112	E358 Q619 W620 L621 T625 Q626	E358-R623 VanDerWaalsContact CD-NH2 3.35Å; E358-R623 IonicContact OE1-NH2 3.41Å; E358-R623 PolarHBondContact OE1-NH2 3.11Å; E358-R623 IonicContact OE2-CZ 3.57Å; E358-R623 IonicContact OE2-NH1 2.78Å; E358-R623 IonicContact OE2-NH2 3.52Å; E358-R623 PolarHBondContact OE2-NH2 2.84Å; Q619-R623 PolarHBondContact O-N 2.88Å; W620-R623 WeakPolarHBondContact O-CB 3.44Å; W620-R623 PolarHBondContact O-N 3.17Å; W620-R623 VanDerWaalsContact O-N 3.08Å; L621-R623 VanDerWaalsContact C-N 3.29Å; L621-R623 PolarHBondContact O-N 3.32Å; R623-T625 PolarHBondContact O-N 2.92Å; R623-Q626 WeakPolarHBondContact O-CG 3.2Å; R623-Q626 PolarHBondContact O-N 2.81Å
624	E	98.4	Very high	96.9	Very high	27 Å²	27	60.9 Å²	60.9	13%	0.126	31%	0.308	C	S	.	.	H	α-helix	trans	-77.9	-4.3	-177.8	-61.3	-48	122.9	0	0	114.2	P575 W620 L621	P575-E624 HydrophobicContact CB-CB 3.96Å; P575-E624 HydrophobicContact CG-CB 4.22Å; W620-E624 HydrophobicContact CD2-CG 3.99Å; W620-E624 VanDerWaalsContact CE2-CG 3.45Å; W620-E624 HydrophobicContact CG-CG 4.4Å; W620-E624 HydrophobicContact CH2-CB 4.37Å; W620-E624 HydrophobicContact CH2-CG 4.24Å; W620-E624 HydrophobicContact CZ2-CB 4.19Å; W620-E624 HydrophobicContact CZ2-CG 3.59Å; W620-E624 PolarHBondContact O-N 3.12Å; L621-E624 PolarHBondContact O-N 2.81Å
625	T	98.6	Very high	96.8	Very high	4 Å²	4	61.8 Å²	61.8	3%	0.025	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.6	11.2	176.8	54.2	0	0	0	0	113.3	P575 H598 C601 R602 L621 V622 R623	P575-T625 HydrophobicContact CB-CG2 4.39Å; P575-T625 HydrophobicContact CG-CG2 3.84Å; H598-T625 HydrophobicContact CB-CG2 4.02Å; H598-T625 WeakPolarHBondContact O-CG2 3.4Å; C601-T625 HydrophobicContact CB-CG2 4.18Å; R602-T625 HydrophobicContact CB-CG2 4.39Å; R602-T625 PolarHBondContact NE-OG1 3.14Å; R602-T625 PolarHBondContact NH2-O 3.24Å; R602-T625 PolarHBondContact NH2-OG1 3.27Å; R602-T625 VanDerWaalsContact NH2-OG1 3.13Å; L621-T625 HydrophobicContact CD1-CG2 3.68Å; L621-T625 HydrophobicContact CG-CG2 4.38Å; L621-T625 WeakPolarHBondContact O-CB 3.48Å; L621-T625 VanDerWaalsContact O-CG2 3.24Å; L621-T625 WeakPolarHBondContact O-CG2 3.44Å; L621-T625 PolarHBondContact O-N 2.86Å; L621-T625 VanDerWaalsContact O-N 3.12Å; L621-T625 PolarHBondContact O-OG1 3.11Å; V622-T625 PolarHBondContact O-OG1 3Å; R623-T625 PolarHBondContact O-N 2.92Å
626	Q	97.7	Very high	96.7	Very high	92 Å²	92	59.3 Å²	59.3	43%	0.43	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-60.7	144.6	175.9	-68	-58.3	-35.7	0	0	110.9	V622 R623 V628	V622-Q626 PolarHBondContact O-NE2 3.45Å; R623-Q626 WeakPolarHBondContact O-CG 3.2Å; R623-Q626 PolarHBondContact O-N 2.81Å; Q626-V628 PolarHBondContact O-N 2.96Å
627	P	95.3	Very high	96.6	Very high	79 Å²	79	55.4 Å²	55.4	51%	0.513	29%	0.287	S	S	.	.	P	Polyproline II helix	trans	-64.3	138.5	-175.8	26.9	-34	0	0	0	111.3	N595	N595-P627 VanDerWaalsContact OD1-CA 3.24Å; N595-P627 WeakPolarHBondContact OD1-CA 3.31Å
628	V	92.9	Very high	96.4	Very high	10 Å²	10	59.8 Å²	59.8	6%	0.061	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-73.9	130.6	167.8	-171.9	0	0	0	0	108.5	V578 M581 T583 V594 N595 Q626	V578-V628 HydrophobicContact CG1-CG2 3.92Å; V578-V628 HydrophobicContact CG2-CG2 3.79Å; M581-V628 HydrophobicContact SD-CG2 4.36Å; T583-V628 HydrophobicContact CG2-CG1 3.46Å; T583-V628 VanDerWaalsContact CG2-CG1 3.46Å; V594-V628 HydrophobicContact CG1-CG2 3.85Å; N595-V628 PolarHBondContact ND2-O 2.96Å; N595-V628 PolarHBondContact OD1-N 3.3Å; Q626-V628 PolarHBondContact O-N 2.96Å
629	V	82.6	Confident	96.2	Very high	152 Å²	152	62.7 Å²	62.7	92%	0.921	32%	0.324	S	S	*	.			trans	-90.4	0	178.5	-175.2	0	0	0	0	111.2	K591	K591-V629 VanDerWaalsContact NZ-C 3.29Å; K591-V629 PolarHBondContact NZ-O 3.45Å; K591-V629 PolarHBondContact NZ-OXT 2.76Å

Retrieved 629 of 629 residues in 910.7 ms (Link to these results)

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