A0A087Y9V0_POEFO Loading...

Serine palmitoyltransferase 1

Component of the serine palmitoyltransferase multisubunit enzyme (SPT) that catalyzes the initial and rate-limiting step in sphingolipid biosynthesis by condensing L-serine and activated acyl-CoA (most commonly palmitoyl-CoA) to form long-chain bases. The SPT complex is also composed of SPTLC2 or SPTLC3 and SPTSSA or SPTSSB. Within this complex, the heterodimer with SPTLC2 or SPTLC3 forms the catalytic core. The composition of the serine palmitoyltransferase (SPT) complex determines the substrate preference. The SPTLC1-SPTLC2-SPTSSA complex shows a strong preference for C16-CoA substrate, while the SPTLC1-SPTLC3-SPTSSA isozyme uses both C14-CoA and C16-CoA as substrates, with a slight preference for C14-CoA. The SPTLC1-SPTLC2-SPTSSB complex shows a strong preference for C18-CoA substrate, while the SPTLC1-SPTLC3-SPTSSB isozyme displays an ability to use a broader range of acyl-CoAs, without apparent preference. Required for adipocyte cell viability and metabolic homeostasis.

AlphaFold DB , UniProt , Accession A0A087Y9V0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 472 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	42	Very low	55.9	Low	252 Å²	252	137.7 Å²	137.7	100%	1.241	76%	0.755	S	S	*	*				0	118.4	0	-66	-170.8	-83.9	0	0	106.1
2	A	42.1	Very low	56.8	Low	102 Å²	102	137.6 Å²	137.6	84%	0.843	75%	0.748	S	S	*	*			cis	-145.1	137.7	17.3	0	0	0	0	0	110.1
3	S	47.4	Very low	58.1	Low	124 Å²	124	132.8 Å²	132.8	87%	0.867	73%	0.726	S	S	*	*			trans	-76.7	142.1	160.7	50.3	0	0	0	0	109.8
4	G	47	Very low	59.3	Low	56 Å²	56	131 Å²	131	58%	0.577	71%	0.71	S	S	*	*			trans	154.1	60.1	160.8	0	0	0	0	0	117.5
5	Q	56.9	Low	60.1	Low	206 Å²	206	126.2 Å²	126.2	96%	0.963	70%	0.695	S	S	*	*			trans	-112.8	76.7	156.7	-96.8	-174.8	-21.9	0	0	108.4
6	Q	56.5	Low	60.9	Low	170 Å²	170	125.9 Å²	125.9	79%	0.794	69%	0.685	S	S	*	*			trans	-152.9	27.8	175	-151.8	172.2	-6	0	0	113.1
7	W	54.2	Low	61.8	Low	161 Å²	161	130.4 Å²	130.4	61%	0.61	69%	0.691	S	S	*	*			trans	-107.7	-17.5	-172.1	-67	106	0	0	0	115.5	L9 V10 E11	W7-L9 VanDerWaalsContact C-N 3.33Å; W7-L9 PolarHBondContact O-N 3.46Å; W7-V10 HydrophobicContact CE3-CB 4.27Å; W7-V10 HydrophobicContact CE3-CG1 4.34Å; W7-V10 HydrophobicContact CZ3-CG1 4.37Å; W7-V10 PolarHBondContact O-N 2.74Å; W7-E11 WeakPolarHBondContact O-CB 3.37Å; W7-E11 WeakPolarHBondContact O-CG 3.13Å; W7-E11 PolarHBondContact O-N 2.72Å
8	V	64.4	Low	62.9	Low	115 Å²	115	131.1 Å²	131.1	70%	0.697	69%	0.69	S	S	*	*	H	α-helix	trans	-62.3	-39.2	-175.1	-178.1	0	0	0	0	112.6	M12	V8-M12 WeakPolarHBondContact O-CB 3.31Å; V8-M12 PolarHBondContact O-N 3.4Å; V8-M12 VanDerWaalsContact O-N 3.1Å
9	L	63.2	Low	63.8	Low	135 Å²	135	125.5 Å²	125.5	71%	0.707	66%	0.664	S	S	*	*	H	α-helix	trans	-73.5	-34.8	179.9	-114.2	147.2	0	0	0	112.3	W7 V13	W7-L9 VanDerWaalsContact C-N 3.33Å; W7-L9 PolarHBondContact O-N 3.46Å; L9-V13 VanDerWaalsContact O-CG2 3.23Å; L9-V13 WeakPolarHBondContact O-CG2 3.35Å; L9-V13 PolarHBondContact O-N 3.23Å; L9-V13 VanDerWaalsContact O-N 3.13Å
10	V	72.6	Confident	64.9	Low	70 Å²	70	122.4 Å²	122.4	42%	0.424	65%	0.651	S	S	.	*	H	α-helix	trans	-71.6	-44	178.7	179.7	0	0	0	0	110.2	W7 M12 V13 Q14	W7-V10 HydrophobicContact CE3-CB 4.27Å; W7-V10 HydrophobicContact CE3-CG1 4.34Å; W7-V10 HydrophobicContact CZ3-CG1 4.37Å; W7-V10 PolarHBondContact O-N 2.74Å; V10-M12 PolarHBondContact O-N 2.95Å; V10-V13 PolarHBondContact O-N 2.88Å; V10-Q14 WeakPolarHBondContact O-CB 3.38Å; V10-Q14 PolarHBondContact O-N 3.06Å
11	E	68.4	Low	65.7	Low	124 Å²	124	120 Å²	120	58%	0.579	65%	0.649	S	S	*	*	H	α-helix	trans	-63	-39.2	175.6	-72.8	174.9	176.3	0	0	112.2	W7 Q14 A15	W7-E11 WeakPolarHBondContact O-CB 3.37Å; W7-E11 WeakPolarHBondContact O-CG 3.13Å; W7-E11 PolarHBondContact O-N 2.72Å; E11-Q14 PolarHBondContact O-N 3.4Å; E11-A15 WeakPolarHBondContact O-CB 3.28Å; E11-A15 PolarHBondContact O-N 3.2Å
12	M	66.8	Low	67.7	Low	136 Å²	136	115.9 Å²	115.9	67%	0.67	62%	0.62	S	S	*	*	H	α-helix	trans	-62.4	-43.5	174.2	-120.7	-178.4	72.3	0	0	112.2	V8 V10 Q14 F16	V8-M12 WeakPolarHBondContact O-CB 3.31Å; V8-M12 PolarHBondContact O-N 3.4Å; V8-M12 VanDerWaalsContact O-N 3.1Å; V10-M12 PolarHBondContact O-N 2.95Å; M12-Q14 VanDerWaalsContact C-N 3.34Å; M12-F16 PolarHBondContact O-N 2.89Å; M12-F16 VanDerWaalsContact O-N 3.11Å
13	V	73.5	Confident	69.7	Low	76 Å²	76	114.7 Å²	114.7	46%	0.461	60%	0.598	S	S	.	*	H	α-helix	trans	-66.2	-40.6	178	170.9	0	0	0	0	110.3	L9 V10 F16 Y17	L9-V13 VanDerWaalsContact O-CG2 3.23Å; L9-V13 WeakPolarHBondContact O-CG2 3.35Å; L9-V13 PolarHBondContact O-N 3.23Å; L9-V13 VanDerWaalsContact O-N 3.13Å; V10-V13 PolarHBondContact O-N 2.88Å; V13-F16 WeakPolarHBondContact O-CB 3.36Å; V13-F16 PolarHBondContact O-N 2.95Å; V13-Y17 HydrophobicContact CG1-CD2 4.06Å; V13-Y17 HydrophobicContact CG1-CE2 4.04Å; V13-Y17 WeakPolarHBondContact O-CD2 3.48Å; V13-Y17 PolarHBondContact O-N 3.39Å
14	Q	74.8	Confident	71.5	Confident	107 Å²	107	111.3 Å²	111.3	50%	0.5	57%	0.569	S	S	.	*	H	α-helix	trans	-67.8	-41.9	179.8	-159.8	168.7	-12	0	0	111.9	V10 E11 M12 F16 Y17 E18	V10-Q14 WeakPolarHBondContact O-CB 3.38Å; V10-Q14 PolarHBondContact O-N 3.06Å; E11-Q14 PolarHBondContact O-N 3.4Å; M12-Q14 VanDerWaalsContact C-N 3.34Å; Q14-F16 PolarHBondContact O-N 3.38Å; Q14-Y17 PolarHBondContact O-N 3.38Å; Q14-Y17 VanDerWaalsContact O-N 3.11Å; Q14-E18 WeakPolarHBondContact O-CG 3.21Å; Q14-E18 PolarHBondContact O-N 3.35Å
15	A	71.2	Confident	73.4	Confident	59 Å²	59	113.8 Å²	113.8	49%	0.488	57%	0.568	S	S	.	*	H	α-helix	trans	-60.8	-32.8	172.6	0	0	0	0	0	112.6	E11 E18 A19	E11-A15 WeakPolarHBondContact O-CB 3.28Å; E11-A15 PolarHBondContact O-N 3.2Å; A15-E18 PolarHBondContact O-N 2.97Å; A15-A19 WeakPolarHBondContact O-CB 3.38Å; A15-A19 PolarHBondContact O-N 3.28Å; A15-A19 VanDerWaalsContact O-N 3.08Å
16	F	72.8	Confident	74.8	Confident	122 Å²	122	108.6 Å²	108.6	54%	0.535	55%	0.546	S	S	.	.	H	α-helix	trans	-69.5	-34.3	175.3	-158.9	-92.8	0	0	0	112.6	M12 V13 Q14 L24	M12-F16 PolarHBondContact O-N 2.89Å; M12-F16 VanDerWaalsContact O-N 3.11Å; V13-F16 WeakPolarHBondContact O-CB 3.36Å; V13-F16 PolarHBondContact O-N 2.95Å; Q14-F16 PolarHBondContact O-N 3.38Å; F16-L24 HydrophobicContact CD1-CD2 4.03Å; F16-L24 HydrophobicContact CD2-CD2 3.79Å; F16-L24 HydrophobicContact CE1-CD2 3.82Å; F16-L24 HydrophobicContact CE2-CD2 3.56Å; F16-L24 HydrophobicContact CG-CD2 4.03Å; F16-L24 HydrophobicContact CZ-CD2 3.59Å
17	Y	76.3	Confident	76.2	Confident	201 Å²	201	104 Å²	104	79%	0.788	53%	0.525	S	S	*	.	H	α-helix	trans	-76.4	-29.4	175.4	-88	-79.4	0	0	0	113.4	V13 Q14	V13-Y17 HydrophobicContact CG1-CD2 4.06Å; V13-Y17 HydrophobicContact CG1-CE2 4.04Å; V13-Y17 WeakPolarHBondContact O-CD2 3.48Å; V13-Y17 PolarHBondContact O-N 3.39Å; Q14-Y17 PolarHBondContact O-N 3.38Å; Q14-Y17 VanDerWaalsContact O-N 3.11Å
18	E	82.5	Confident	78	Confident	144 Å²	144	97.9 Å²	97.9	67%	0.673	51%	0.511	S	S	*	.	H	α-helix	trans	-86.6	-11.9	178.8	-68.9	177.7	-170	0	0	113.1	Q14 A15	Q14-E18 WeakPolarHBondContact O-CG 3.21Å; Q14-E18 PolarHBondContact O-N 3.35Å; A15-E18 PolarHBondContact O-N 2.97Å
19	A	79.6	Confident	79.3	Confident	24 Å²	24	97.1 Å²	97.1	20%	0.198	50%	0.502	C	S	.	.	S	Bend	trans	-67.7	132.5	-179.1	0	0	0	0	0	112.1	A15 L24	A15-A19 WeakPolarHBondContact O-CB 3.38Å; A15-A19 PolarHBondContact O-N 3.28Å; A15-A19 VanDerWaalsContact O-N 3.08Å; A19-L24 HydrophobicContact CB-CD1 4.41Å; A19-L24 HydrophobicContact CB-CD2 3.93Å; A19-L24 HydrophobicContact CB-CG 3.95Å
20	P	85.8	Confident	80.6	Confident	63 Å²	63	94.4 Å²	94.4	41%	0.409	49%	0.488	S	S	.	.			trans	-64.7	147.1	175.8	10.8	-12.2	0	0	0	111.8	Y22 H23 L24	P20-Y22 HydrophobicContact CB-CD1 3.81Å; P20-Y22 HydrophobicContact CB-CE1 3.41Å; P20-Y22 VanDerWaalsContact CB-CE1 3.41Å; P20-Y22 HydrophobicContact CG-CD1 4.35Å; P20-Y22 HydrophobicContact CG-CE1 3.57Å; P20-Y22 PolarHBondContact O-N 3.47Å; P20-H23 WeakPolarHBondContact O-CB 3.41Å; P20-H23 PolarHBondContact O-N 2.98Å; P20-L24 PolarHBondContact O-N 2.91Å
21	A	82.9	Confident	81.6	Confident	72 Å²	72	95.7 Å²	95.7	60%	0.595	49%	0.492	S	S	*	.	H	α-helix	trans	-52.9	-35.4	-171.1	0	0	0	0	0	114.5	H23 L24 I25	A21-H23 VanDerWaalsContact C-N 3.28Å; A21-H23 PolarHBondContact O-N 3.45Å; A21-L24 PolarHBondContact O-N 3.28Å; A21-I25 WeakPolarHBondContact O-CB 3.26Å; A21-I25 WeakPolarHBondContact O-CD1 3.45Å; A21-I25 WeakPolarHBondContact O-CG1 3.29Å; A21-I25 PolarHBondContact O-N 3.39Å
22	Y	83.8	Confident	82.7	Confident	166 Å²	166	95.4 Å²	95.4	65%	0.651	49%	0.494	S	S	*	.	H	α-helix	trans	-65	-31.4	178.2	68.2	-98.6	0	0	0	113	P20 L26	P20-Y22 HydrophobicContact CB-CD1 3.81Å; P20-Y22 HydrophobicContact CB-CE1 3.41Å; P20-Y22 VanDerWaalsContact CB-CE1 3.41Å; P20-Y22 HydrophobicContact CG-CD1 4.35Å; P20-Y22 HydrophobicContact CG-CE1 3.57Å; P20-Y22 PolarHBondContact O-N 3.47Å; Y22-L26 WeakPolarHBondContact O-CB 3.17Å; Y22-L26 PolarHBondContact O-N 2.9Å
23	H	82.4	Confident	83.8	Confident	78 Å²	78	96.1 Å²	96.1	36%	0.361	49%	0.489	S	S	.	.	H	α-helix	trans	-73.1	-45	-179.9	-161	-74.3	0	0	0	110.3	P20 A21 I25 L26 E27	P20-H23 WeakPolarHBondContact O-CB 3.41Å; P20-H23 PolarHBondContact O-N 2.98Å; A21-H23 VanDerWaalsContact C-N 3.28Å; A21-H23 PolarHBondContact O-N 3.45Å; H23-I25 VanDerWaalsContact C-N 3.32Å; H23-I25 PolarHBondContact O-N 3.17Å; H23-L26 PolarHBondContact O-N 3.23Å; H23-E27 IonicContact CE1-OE1 3.67Å; H23-E27 PolarHBondContact CE1-OE1 3.14Å; H23-E27 IonicContact ND1-OE1 2.67Å; H23-E27 PolarHBondContact ND1-OE1 2.93Å; H23-E27 PolarHBondContact O-N 3.33Å
24	L	85.1	Confident	84.5	Confident	53 Å²	53	96.9 Å²	96.9	28%	0.277	49%	0.49	S	S	.	.	H	α-helix	trans	-63	-37.6	174.7	-64.4	175.2	0	0	0	112	F16 A19 P20 A21 G28	F16-L24 HydrophobicContact CD1-CD2 4.03Å; F16-L24 HydrophobicContact CD2-CD2 3.79Å; F16-L24 HydrophobicContact CE1-CD2 3.82Å; F16-L24 HydrophobicContact CE2-CD2 3.56Å; F16-L24 HydrophobicContact CG-CD2 4.03Å; F16-L24 HydrophobicContact CZ-CD2 3.59Å; A19-L24 HydrophobicContact CB-CD1 4.41Å; A19-L24 HydrophobicContact CB-CD2 3.93Å; A19-L24 HydrophobicContact CB-CG 3.95Å; P20-L24 PolarHBondContact O-N 2.91Å; A21-L24 PolarHBondContact O-N 3.28Å; L24-G28 PolarHBondContact O-N 2.97Å
25	I	87.4	Confident	85.2	Confident	107 Å²	107	95.5 Å²	95.5	55%	0.549	49%	0.485	S	S	.	.	H	α-helix	trans	-64.6	-45.7	174.1	-69.9	164	0	0	0	110.7	A21 H23 G28 I29	A21-I25 WeakPolarHBondContact O-CB 3.26Å; A21-I25 WeakPolarHBondContact O-CD1 3.45Å; A21-I25 WeakPolarHBondContact O-CG1 3.29Å; A21-I25 PolarHBondContact O-N 3.39Å; H23-I25 VanDerWaalsContact C-N 3.32Å; H23-I25 PolarHBondContact O-N 3.17Å; I25-G28 PolarHBondContact O-N 3.22Å; I25-I29 HydrophobicContact CG2-CD1 3.89Å; I25-I29 VanDerWaalsContact O-CG1 3.27Å; I25-I29 WeakPolarHBondContact O-CG1 3.48Å; I25-I29 PolarHBondContact O-N 3.44Å
26	L	87.3	Confident	85.9	Confident	97 Å²	97	101.4 Å²	101.4	51%	0.508	49%	0.494	S	S	.	.	H	α-helix	trans	-62.9	-45.6	178.4	-177.5	68.1	0	0	0	111.6	Y22 H23 G28 I29 L30	Y22-L26 WeakPolarHBondContact O-CB 3.17Å; Y22-L26 PolarHBondContact O-N 2.9Å; H23-L26 PolarHBondContact O-N 3.23Å; L26-G28 VanDerWaalsContact C-N 3.35Å; L26-I29 PolarHBondContact O-N 3.48Å; L26-L30 HydrophobicContact CG-CD1 4.25Å; L26-L30 WeakPolarHBondContact O-CG 3.4Å; L26-L30 PolarHBondContact O-N 3.43Å
27	E	86	Confident	86.4	Confident	75 Å²	75	100.2 Å²	100.2	35%	0.35	49%	0.493	S	S	.	.	H	α-helix	trans	-62.7	-41.2	175.4	-76.1	-172.9	178.5	0	0	111.9	H23 I29 L30 I31	H23-E27 IonicContact CE1-OE1 3.67Å; H23-E27 PolarHBondContact CE1-OE1 3.14Å; H23-E27 IonicContact ND1-OE1 2.67Å; H23-E27 PolarHBondContact ND1-OE1 2.93Å; H23-E27 PolarHBondContact O-N 3.33Å; E27-I29 VanDerWaalsContact C-N 3.34Å; E27-I29 PolarHBondContact O-N 3.38Å; E27-L30 PolarHBondContact O-N 2.91Å; E27-I31 WeakPolarHBondContact O-CB 3.33Å; E27-I31 VanDerWaalsContact O-CG1 3.31Å; E27-I31 WeakPolarHBondContact O-CG1 3.25Å; E27-I31 PolarHBondContact O-N 2.94Å
28	G	90.6	Very high	86.7	Confident	31 Å²	31	96.9 Å²	96.9	32%	0.32	49%	0.488	S	S	.	.	H	α-helix	trans	-59.6	-42.9	173.3	0	0	0	0	0	112.5	L24 I25 L26 I31 L32	L24-G28 PolarHBondContact O-N 2.97Å; I25-G28 PolarHBondContact O-N 3.22Å; L26-G28 VanDerWaalsContact C-N 3.35Å; G28-I31 PolarHBondContact O-N 2.93Å; G28-L32 WeakPolarHBondContact O-CB 3.33Å; G28-L32 WeakPolarHBondContact O-CG 3.28Å; G28-L32 PolarHBondContact O-N 3.36Å
29	I	93.2	Very high	86.5	Confident	99 Å²	99	97.9 Å²	97.9	51%	0.508	49%	0.49	S	S	.	.	H	α-helix	trans	-63.7	-42.7	174.5	-69.5	166.3	0	0	0	110.7	I25 L26 E27 L32 W33	I25-I29 HydrophobicContact CG2-CD1 3.89Å; I25-I29 VanDerWaalsContact O-CG1 3.27Å; I25-I29 WeakPolarHBondContact O-CG1 3.48Å; I25-I29 PolarHBondContact O-N 3.44Å; L26-I29 PolarHBondContact O-N 3.48Å; E27-I29 VanDerWaalsContact C-N 3.34Å; E27-I29 PolarHBondContact O-N 3.38Å; I29-L32 PolarHBondContact O-N 3.36Å; I29-W33 VanDerWaalsContact O-CB 3.3Å; I29-W33 WeakPolarHBondContact O-CB 3.35Å; I29-W33 PolarHBondContact O-N 2.78Å
30	L	90.5	Very high	86.3	Confident	78 Å²	78	99.2 Å²	99.2	41%	0.408	50%	0.498	S	S	.	.	H	α-helix	trans	-65.5	-43.6	178.5	-75.6	168.8	0	0	0	111.8	L26 E27 W33 I34	L26-L30 HydrophobicContact CG-CD1 4.25Å; L26-L30 WeakPolarHBondContact O-CG 3.4Å; L26-L30 PolarHBondContact O-N 3.43Å; E27-L30 PolarHBondContact O-N 2.91Å; L30-W33 HydrophobicContact CD2-CE3 4.41Å; L30-W33 CarbonylContact O-C 3.51Å; L30-W33 PolarHBondContact O-N 2.89Å; L30-W33 VanDerWaalsContact O-N 3.17Å; L30-I34 WeakPolarHBondContact O-CB 3.24Å; L30-I34 VanDerWaalsContact O-CG1 3.27Å; L30-I34 WeakPolarHBondContact O-CG1 3.38Å; L30-I34 PolarHBondContact O-N 3.36Å
31	I	92.2	Very high	85.1	Confident	97 Å²	97	105.7 Å²	105.7	50%	0.497	52%	0.52	S	S	.	.	H	α-helix	trans	-63.1	-45	175.3	-69.7	168.8	0	0	0	110.1	E27 G28 W33 I34 I35	E27-I31 WeakPolarHBondContact O-CB 3.33Å; E27-I31 VanDerWaalsContact O-CG1 3.31Å; E27-I31 WeakPolarHBondContact O-CG1 3.25Å; E27-I31 PolarHBondContact O-N 2.94Å; G28-I31 PolarHBondContact O-N 2.93Å; I31-W33 VanDerWaalsContact C-N 3.26Å; I31-W33 PolarHBondContact O-N 3.16Å; I31-I34 PolarHBondContact O-N 3.32Å; I31-I35 HydrophobicContact CG2-CD1 3.77Å; I31-I35 HydrophobicContact CG2-CG1 4.35Å; I31-I35 WeakPolarHBondContact O-CB 3.42Å; I31-I35 VanDerWaalsContact O-CG1 3.25Å; I31-I35 WeakPolarHBondContact O-CG1 3.38Å; I31-I35 PolarHBondContact O-N 2.88Å
32	L	92.1	Very high	84	Confident	118 Å²	118	108.3 Å²	108.3	62%	0.618	53%	0.529	S	S	*	.	H	α-helix	trans	-60.6	-36.4	173.9	-81.5	165.9	0	0	0	112.1	G28 I29 R36	G28-L32 WeakPolarHBondContact O-CB 3.33Å; G28-L32 WeakPolarHBondContact O-CG 3.28Å; G28-L32 PolarHBondContact O-N 3.36Å; I29-L32 PolarHBondContact O-N 3.36Å; L32-R36 WeakPolarHBondContact O-CB 3.33Å; L32-R36 PolarHBondContact O-N 2.94Å
33	W	89.3	Confident	82.6	Confident	152 Å²	152	109.7 Å²	109.7	58%	0.576	54%	0.535	S	S	*	.	H	α-helix	trans	-71.8	-38.4	176.9	-165.5	48.8	0	0	0	112	I29 L30 I31 R36 L37	I29-W33 VanDerWaalsContact O-CB 3.3Å; I29-W33 WeakPolarHBondContact O-CB 3.35Å; I29-W33 PolarHBondContact O-N 2.78Å; L30-W33 HydrophobicContact CD2-CE3 4.41Å; L30-W33 CarbonylContact O-C 3.51Å; L30-W33 PolarHBondContact O-N 2.89Å; L30-W33 VanDerWaalsContact O-N 3.17Å; I31-W33 VanDerWaalsContact C-N 3.26Å; I31-W33 PolarHBondContact O-N 3.16Å; W33-R36 CarbonylContact O-C 3.57Å; W33-R36 PolarHBondContact O-N 3.02Å; W33-L37 HydrophobicContact CD2-CD1 4.11Å; W33-L37 HydrophobicContact CE3-CD1 4.37Å; W33-L37 HydrophobicContact CZ2-CD1 4.39Å; W33-L37 WeakPolarHBondContact O-CB 3.49Å; W33-L37 VanDerWaalsContact O-CG 3.26Å; W33-L37 WeakPolarHBondContact O-CG 3.39Å; W33-L37 PolarHBondContact O-N 2.99Å
34	I	89.1	Confident	81.2	Confident	92 Å²	92	114.7 Å²	114.7	47%	0.472	56%	0.555	S	S	.	*	H	α-helix	trans	-65.1	-47.6	173.3	-70.6	165.2	0	0	0	110.5	L30 I31 R36 L37 L38	L30-I34 WeakPolarHBondContact O-CB 3.24Å; L30-I34 VanDerWaalsContact O-CG1 3.27Å; L30-I34 WeakPolarHBondContact O-CG1 3.38Å; L30-I34 PolarHBondContact O-N 3.36Å; I31-I34 PolarHBondContact O-N 3.32Å; I34-R36 VanDerWaalsContact C-N 3.31Å; I34-R36 PolarHBondContact O-N 3.32Å; I34-L37 PolarHBondContact O-N 3.45Å; I34-L37 VanDerWaalsContact O-N 3.11Å; I34-L38 HydrophobicContact CG2-CD1 3.82Å; I34-L38 HydrophobicContact CG2-CG 4.32Å; I34-L38 WeakPolarHBondContact O-CB 3.31Å; I34-L38 VanDerWaalsContact O-CG 3.3Å; I34-L38 WeakPolarHBondContact O-CG 3.4Å; I34-L38 PolarHBondContact O-N 3.43Å
35	I	89.1	Confident	79.7	Confident	78 Å²	78	119.1 Å²	119.1	40%	0.4	58%	0.578	S	S	.	*	H	α-helix	trans	-58.1	-47.9	174	-70.3	170.9	0	0	0	109	I31 L37 L38 F39	I31-I35 HydrophobicContact CG2-CD1 3.77Å; I31-I35 HydrophobicContact CG2-CG1 4.35Å; I31-I35 WeakPolarHBondContact O-CB 3.42Å; I31-I35 VanDerWaalsContact O-CG1 3.25Å; I31-I35 WeakPolarHBondContact O-CG1 3.38Å; I31-I35 PolarHBondContact O-N 2.88Å; I35-L37 VanDerWaalsContact C-N 3.3Å; I35-L37 PolarHBondContact O-N 2.93Å; I35-L38 PolarHBondContact O-N 2.93Å; I35-F39 HydrophobicContact CG2-CD2 3.69Å; I35-F39 HydrophobicContact CG2-CE2 4.02Å; I35-F39 WeakPolarHBondContact O-CD2 3.48Å; I35-F39 PolarHBondContact O-N 3.25Å
36	R	86.8	Confident	78.2	Confident	183 Å²	183	121.7 Å²	121.7	69%	0.691	59%	0.588	S	S	*	*	H	α-helix	trans	-57.7	-42.4	175.3	-180	-179.7	169.3	132.6	-0.5	111.3	L32 W33 I34 S40	L32-R36 WeakPolarHBondContact O-CB 3.33Å; L32-R36 PolarHBondContact O-N 2.94Å; W33-R36 CarbonylContact O-C 3.57Å; W33-R36 PolarHBondContact O-N 3.02Å; I34-R36 VanDerWaalsContact C-N 3.31Å; I34-R36 PolarHBondContact O-N 3.32Å; R36-S40 VanDerWaalsContact O-CA 3.26Å; R36-S40 WeakPolarHBondContact O-CA 3.33Å; R36-S40 WeakPolarHBondContact O-CB 3.3Å; R36-S40 PolarHBondContact O-N 3.45Å; R36-S40 PolarHBondContact O-OG 3.23Å
37	L	82.6	Confident	76.7	Confident	96 Å²	96	124.2 Å²	124.2	50%	0.503	60%	0.597	S	S	.	*	H	α-helix	trans	-68.1	-39.2	178.6	-75.6	168.1	0	0	0	112.4	W33 I34 I35 S40	W33-L37 HydrophobicContact CD2-CD1 4.11Å; W33-L37 HydrophobicContact CE3-CD1 4.37Å; W33-L37 HydrophobicContact CZ2-CD1 4.39Å; W33-L37 WeakPolarHBondContact O-CB 3.49Å; W33-L37 VanDerWaalsContact O-CG 3.26Å; W33-L37 WeakPolarHBondContact O-CG 3.39Å; W33-L37 PolarHBondContact O-N 2.99Å; I34-L37 PolarHBondContact O-N 3.45Å; I34-L37 VanDerWaalsContact O-N 3.11Å; I35-L37 VanDerWaalsContact C-N 3.3Å; I35-L37 PolarHBondContact O-N 2.93Å; L37-S40 WeakPolarHBondContact CA-OG 3.44Å; L37-S40 PolarHBondContact O-OG 2.92Å
38	L	82.2	Confident	75.5	Confident	131 Å²	131	126.8 Å²	126.8	69%	0.686	62%	0.618	S	S	*	*	H	α-helix	trans	-67.9	-33.7	178	-72.3	170.4	0	0	0	112.7	I34 I35	I34-L38 HydrophobicContact CG2-CD1 3.82Å; I34-L38 HydrophobicContact CG2-CG 4.32Å; I34-L38 WeakPolarHBondContact O-CB 3.31Å; I34-L38 VanDerWaalsContact O-CG 3.3Å; I34-L38 WeakPolarHBondContact O-CG 3.4Å; I34-L38 PolarHBondContact O-N 3.43Å; I35-L38 PolarHBondContact O-N 2.93Å
39	F	79.6	Confident	74.4	Confident	165 Å²	165	134 Å²	134	72%	0.724	64%	0.637	S	S	*	*	H	α-helix	trans	-106.7	-12.5	-178.1	-65.9	-73.6	0	0	0	114.4	I35 K41	I35-F39 HydrophobicContact CG2-CD2 3.69Å; I35-F39 HydrophobicContact CG2-CE2 4.02Å; I35-F39 WeakPolarHBondContact O-CD2 3.48Å; I35-F39 PolarHBondContact O-N 3.25Å; F39-K41 PolarHBondContact O-N 2.91Å; F39-K41 VanDerWaalsContact O-N 3.15Å
40	S	74.2	Confident	73.5	Confident	52 Å²	52	139.1 Å²	139.1	36%	0.364	66%	0.656	S	S	.	*	S	Bend	trans	-65.1	118.3	168.3	58.8	0	0	0	0	106.4	R36 L37 T42	R36-S40 VanDerWaalsContact O-CA 3.26Å; R36-S40 WeakPolarHBondContact O-CA 3.33Å; R36-S40 WeakPolarHBondContact O-CB 3.3Å; R36-S40 PolarHBondContact O-N 3.45Å; R36-S40 PolarHBondContact O-OG 3.23Å; L37-S40 WeakPolarHBondContact CA-OG 3.44Å; L37-S40 PolarHBondContact O-OG 2.92Å; S40-T42 PolarHBondContact O-N 3.4Å
41	K	60.3	Low	73.1	Confident	199 Å²	199	138.9 Å²	138.9	87%	0.865	65%	0.654	S	S	*	*			trans	-49.9	115.4	175.4	-67.3	180	179.1	178.1	0	107.6	F39 Y43	F39-K41 PolarHBondContact O-N 2.91Å; F39-K41 VanDerWaalsContact O-N 3.15Å; K41-Y43 PolarHBondContact O-N 3.2Å; K41-Y43 VanDerWaalsContact O-N 3.14Å
42	T	59.3	Low	73	Confident	128 Å²	128	138 Å²	138	79%	0.785	65%	0.654	S	S	*	*			trans	-44.2	126.2	161.4	-43.6	0	0	0	0	105.9	S40 K44	S40-T42 PolarHBondContact O-N 3.4Å; T42-K44 PolarHBondContact O-N 3.37Å
43	Y	55	Low	72.7	Confident	195 Å²	195	138.4 Å²	138.4	77%	0.765	65%	0.652	S	S	*	*			trans	-44.8	106.8	176.2	-172.9	-90.7	0	0	0	107.9	K41 L45	K41-Y43 PolarHBondContact O-N 3.2Å; K41-Y43 VanDerWaalsContact O-N 3.14Å; Y43-L45 VanDerWaalsContact C-N 3.29Å; Y43-L45 HydrophobicContact CD1-CD1 3.9Å; Y43-L45 HydrophobicContact CD1-CG 4.15Å; Y43-L45 HydrophobicContact CE1-CD1 4.22Å; Y43-L45 HydrophobicContact CE1-CG 4.14Å; Y43-L45 PolarHBondContact O-N 3.07Å
44	K	52.4	Low	72.6	Confident	183 Å²	183	139.8 Å²	139.8	80%	0.796	66%	0.657	S	S	*	*			trans	-70.8	96.6	176.7	-84.4	-169.3	174.5	-172.5	0	105.4	T42 H46	T42-K44 PolarHBondContact O-N 3.37Å; K44-H46 VanDerWaalsContact C-N 3.26Å; K44-H46 PolarHBondContact O-N 3.11Å
45	L	54.8	Low	72.5	Confident	145 Å²	145	139.6 Å²	139.6	76%	0.759	65%	0.654	S	S	*	*			trans	-62.5	98	164.3	-109	117.9	0	0	0	106.5	Y43	Y43-L45 VanDerWaalsContact C-N 3.29Å; Y43-L45 HydrophobicContact CD1-CD1 3.9Å; Y43-L45 HydrophobicContact CD1-CG 4.15Å; Y43-L45 HydrophobicContact CE1-CD1 4.22Å; Y43-L45 HydrophobicContact CE1-CG 4.14Å; Y43-L45 PolarHBondContact O-N 3.07Å
46	H	56.2	Low	72.5	Confident	161 Å²	161	139.9 Å²	139.9	75%	0.745	65%	0.653	S	S	*	*	S	Bend	trans	69.7	137.9	178.7	-72.7	12.3	0	0	0	116.7	K44 T48	K44-H46 VanDerWaalsContact C-N 3.26Å; K44-H46 PolarHBondContact O-N 3.11Å; H46-T48 PolarHBondContact O-N 3.42Å; H46-T48 VanDerWaalsContact O-N 3.13Å
47	E	56.1	Low	72.7	Confident	150 Å²	150	137.4 Å²	137.4	70%	0.701	65%	0.649	S	S	*	*			trans	-63.2	105.9	154.6	-70.9	-177	155.4	0	0	107	Y49	E47-Y49 VanDerWaalsContact C-N 3.3Å; E47-Y49 HydrophobicContact CB-CE2 4.24Å; E47-Y49 WeakPolarHBondContact O-CD2 3.33Å; E47-Y49 PolarHBondContact O-N 3.2Å; E47-Y49 PolarHBondContact OE2-OH 3.04Å
48	T	59.5	Low	73.1	Confident	130 Å²	130	136 Å²	136	80%	0.798	64%	0.642	S	S	*	*			trans	-69.9	93.6	167.2	43.6	0	0	0	0	107.8	H46 K50	H46-T48 PolarHBondContact O-N 3.42Å; H46-T48 VanDerWaalsContact O-N 3.13Å; T48-K50 PolarHBondContact O-N 3.37Å
49	Y	68.6	Low	73.4	Confident	181 Å²	181	133.8 Å²	133.8	71%	0.71	63%	0.63	S	S	*	*			trans	-56.9	122.3	161	-68.9	-86.7	0	0	0	107.5	E47 L51	E47-Y49 VanDerWaalsContact C-N 3.3Å; E47-Y49 HydrophobicContact CB-CE2 4.24Å; E47-Y49 WeakPolarHBondContact O-CD2 3.33Å; E47-Y49 PolarHBondContact O-N 3.2Å; E47-Y49 PolarHBondContact OE2-OH 3.04Å; Y49-L51 PolarHBondContact O-N 3.1Å; Y49-L51 VanDerWaalsContact O-N 3.07Å
50	K	73.8	Confident	73.8	Confident	208 Å²	208	132 Å²	132	90%	0.904	63%	0.627	S	S	*	*			trans	-74.9	98.3	171.2	-82.5	-171.8	175.3	-175.8	0	107.4	T48	T48-K50 PolarHBondContact O-N 3.37Å
51	L	82	Confident	74.5	Confident	73 Å²	73	137.5 Å²	137.5	38%	0.382	65%	0.647	S	S	.	*			trans	-57.6	134.8	172	-62	164	0	0	0	109.5	Y49 E55 K56 L59	Y49-L51 PolarHBondContact O-N 3.1Å; Y49-L51 VanDerWaalsContact O-N 3.07Å; L51-E55 WeakPolarHBondContact CA-OE2 3.44Å; L51-E55 HydrophobicContact CB-CB 4.14Å; L51-E55 HydrophobicContact CD2-CB 3.97Å; L51-K56 HydrophobicContact CB-CG 3.91Å; L51-K56 HydrophobicContact CD1-CG 4.46Å; L51-L59 HydrophobicContact CD1-CD1 3.51Å; L51-L59 HydrophobicContact CD2-CD1 4.13Å; L51-L59 HydrophobicContact CG-CD1 4.44Å
52	T	89.4	Confident	75.9	Confident	79 Å²	79	135 Å²	135	49%	0.485	64%	0.638	S	S	.	*			trans	-63.1	158	166.6	59.9	0	0	0	0	110	R54 E55 K56	T52-R54 PolarHBondContact O-N 3.04Å; T52-E55 WeakPolarHBondContact CB-OE2 3.46Å; T52-E55 WeakPolarHBondContact CG2-OE2 3.46Å; T52-E55 PolarHBondContact N-OE2 2.96Å; T52-E55 PolarHBondContact O-N 3.32Å; T52-E55 VanDerWaalsContact O-N 3.13Å; T52-E55 VanDerWaalsContact OG1-CD 3.29Å; T52-E55 VanDerWaalsContact OG1-CG 3.24Å; T52-E55 WeakPolarHBondContact OG1-CG 3.45Å; T52-E55 PolarHBondContact OG1-N 3.21Å; T52-E55 PolarHBondContact OG1-OE2 2.85Å; T52-K56 WeakPolarHBondContact O-CG 3.4Å; T52-K56 PolarHBondContact O-N 3.46Å
53	E	87.3	Confident	77.2	Confident	125 Å²	125	137.3 Å²	137.3	58%	0.584	63%	0.633	S	S	*	*	H	α-helix	trans	-57.7	-33.9	177.6	-64.4	-53	123.8	0	0	111.9	K56 E57	E53-K56 WeakPolarHBondContact O-CB 3.29Å; E53-K56 PolarHBondContact O-N 2.71Å; E53-K56 IonicContact OE1-NZ 3.37Å; E53-K56 PolarHBondContact OE1-NZ 3.02Å; E53-K56 IonicContact OE2-NZ 3.96Å; E53-E57 WeakPolarHBondContact O-CG 3.42Å; E53-E57 PolarHBondContact O-N 3.06Å
54	R	87.4	Confident	78.6	Confident	182 Å²	182	136.1 Å²	136.1	69%	0.687	63%	0.634	S	S	*	*	H	α-helix	trans	-65.7	-46.8	174.9	-171.5	175.6	-179.4	169.2	2.4	112.6	T52 K56 E57 D58	T52-R54 PolarHBondContact O-N 3.04Å; R54-K56 PolarHBondContact O-N 3.09Å; R54-E57 PolarHBondContact O-N 3.03Å; R54-E57 VanDerWaalsContact O-N 3.14Å; R54-D58 VanDerWaalsContact O-CG 3.22Å; R54-D58 PolarHBondContact O-N 3.43Å
55	E	86.9	Confident	80.1	Confident	87 Å²	87	131.1 Å²	131.1	41%	0.407	62%	0.621	S	S	.	*	H	α-helix	trans	-63.2	-30.5	176.3	-71.8	163.4	139.3	0	0	112	L51 T52 L59	L51-E55 WeakPolarHBondContact CA-OE2 3.44Å; L51-E55 HydrophobicContact CB-CB 4.14Å; L51-E55 HydrophobicContact CD2-CB 3.97Å; T52-E55 WeakPolarHBondContact CB-OE2 3.46Å; T52-E55 WeakPolarHBondContact CG2-OE2 3.46Å; T52-E55 PolarHBondContact N-OE2 2.96Å; T52-E55 PolarHBondContact O-N 3.32Å; T52-E55 VanDerWaalsContact O-N 3.13Å; T52-E55 VanDerWaalsContact OG1-CD 3.29Å; T52-E55 VanDerWaalsContact OG1-CG 3.24Å; T52-E55 WeakPolarHBondContact OG1-CG 3.45Å; T52-E55 PolarHBondContact OG1-N 3.21Å; T52-E55 PolarHBondContact OG1-OE2 2.85Å; E55-L59 WeakPolarHBondContact O-CB 3.37Å; E55-L59 WeakPolarHBondContact O-CD1 3.32Å; E55-L59 WeakPolarHBondContact O-CG 3.37Å; E55-L59 PolarHBondContact O-N 2.99Å
56	K	88	Confident	81.5	Confident	85 Å²	85	131.5 Å²	131.5	37%	0.37	62%	0.623	S	S	.	*	H	α-helix	trans	-69.2	-43.5	172.6	-65.7	174.6	-171	168.3	0	111.9	L51 T52 E53 R54 L59 I60	L51-K56 HydrophobicContact CB-CG 3.91Å; L51-K56 HydrophobicContact CD1-CG 4.46Å; T52-K56 WeakPolarHBondContact O-CG 3.4Å; T52-K56 PolarHBondContact O-N 3.46Å; E53-K56 WeakPolarHBondContact O-CB 3.29Å; E53-K56 PolarHBondContact O-N 2.71Å; E53-K56 IonicContact OE1-NZ 3.37Å; E53-K56 PolarHBondContact OE1-NZ 3.02Å; E53-K56 IonicContact OE2-NZ 3.96Å; R54-K56 PolarHBondContact O-N 3.09Å; K56-L59 PolarHBondContact O-N 2.97Å; K56-I60 WeakPolarHBondContact O-CB 3.3Å; K56-I60 WeakPolarHBondContact O-CD1 3.29Å; K56-I60 WeakPolarHBondContact O-CG1 3.46Å; K56-I60 PolarHBondContact O-N 2.87Å
57	E	90.3	Very high	82.7	Confident	130 Å²	130	129.3 Å²	129.3	61%	0.607	62%	0.616	S	S	*	*	H	α-helix	trans	-61.4	-46.7	175.7	-76	176.7	173.1	0	0	110.9	E53 R54 L59 I60 E61	E53-E57 WeakPolarHBondContact O-CG 3.42Å; E53-E57 PolarHBondContact O-N 3.06Å; R54-E57 PolarHBondContact O-N 3.03Å; R54-E57 VanDerWaalsContact O-N 3.14Å; E57-L59 VanDerWaalsContact C-N 3.34Å; E57-L59 PolarHBondContact O-N 2.91Å; E57-I60 PolarHBondContact O-N 2.88Å; E57-I60 VanDerWaalsContact O-N 3.13Å; E57-E61 WeakPolarHBondContact O-CB 3.42Å; E57-E61 PolarHBondContact O-N 3.19Å
58	D	91.8	Very high	84.1	Confident	66 Å²	66	130.8 Å²	130.8	35%	0.353	63%	0.628	S	S	.	*	H	α-helix	trans	-59.6	-44.2	176.8	-64.3	-21.6	0	0	0	110.8	R54 I60 E61 E62	R54-D58 VanDerWaalsContact O-CG 3.22Å; R54-D58 PolarHBondContact O-N 3.43Å; D58-I60 PolarHBondContact O-N 2.79Å; D58-E61 PolarHBondContact O-N 3.44Å; D58-E62 WeakPolarHBondContact O-CB 3.25Å; D58-E62 VanDerWaalsContact O-CG 3.31Å; D58-E62 WeakPolarHBondContact O-CG 3.23Å; D58-E62 PolarHBondContact O-N 3.44Å
59	L	87.8	Confident	85.2	Confident	86 Å²	86	129.4 Å²	129.4	45%	0.45	62%	0.619	S	S	.	*	H	α-helix	trans	-65.4	-35.4	175.7	-76.4	169	0	0	0	113.2	L51 E55 K56 E57 W63	L51-L59 HydrophobicContact CD1-CD1 3.51Å; L51-L59 HydrophobicContact CD2-CD1 4.13Å; L51-L59 HydrophobicContact CG-CD1 4.44Å; E55-L59 WeakPolarHBondContact O-CB 3.37Å; E55-L59 WeakPolarHBondContact O-CD1 3.32Å; E55-L59 WeakPolarHBondContact O-CG 3.37Å; E55-L59 PolarHBondContact O-N 2.99Å; K56-L59 PolarHBondContact O-N 2.97Å; E57-L59 VanDerWaalsContact C-N 3.34Å; E57-L59 PolarHBondContact O-N 2.91Å; L59-W63 WeakPolarHBondContact O-CB 3.44Å; L59-W63 PolarHBondContact O-N 3.46Å
60	I	88	Confident	85.7	Confident	128 Å²	128	126 Å²	126	66%	0.656	62%	0.62	S	S	*	*	H	α-helix	trans	-69.7	-39	176	-71.3	164.3	0	0	0	110.2	K56 E57 D58 W63	K56-I60 WeakPolarHBondContact O-CB 3.3Å; K56-I60 WeakPolarHBondContact O-CD1 3.29Å; K56-I60 WeakPolarHBondContact O-CG1 3.46Å; K56-I60 PolarHBondContact O-N 2.87Å; E57-I60 PolarHBondContact O-N 2.88Å; E57-I60 VanDerWaalsContact O-N 3.13Å; D58-I60 PolarHBondContact O-N 2.79Å; I60-W63 PolarHBondContact O-N 3.44Å
61	E	89.1	Confident	86.1	Confident	166 Å²	166	123.5 Å²	123.5	78%	0.776	62%	0.615	S	S	*	*	H	α-helix	trans	-69	-39.3	177.6	-170.9	171.8	-167.3	0	0	111.8	E57 D58 W63	E57-E61 WeakPolarHBondContact O-CB 3.42Å; E57-E61 PolarHBondContact O-N 3.19Å; D58-E61 PolarHBondContact O-N 3.44Å; E61-W63 VanDerWaalsContact C-N 3.35Å
62	E	90.3	Very high	86	Confident	146 Å²	146	125.3 Å²	125.3	68%	0.682	62%	0.624	S	S	*	*	H	α-helix	trans	-75.7	-21.1	175.7	-71.9	-178.6	178.2	0	0	113.3	D58 Q64	D58-E62 WeakPolarHBondContact O-CB 3.25Å; D58-E62 VanDerWaalsContact O-CG 3.31Å; D58-E62 WeakPolarHBondContact O-CG 3.23Å; D58-E62 PolarHBondContact O-N 3.44Å; E62-Q64 PolarHBondContact O-N 2.84Å
63	W	87	Confident	85.7	Confident	177 Å²	177	125 Å²	125	67%	0.67	63%	0.625	S	S	*	*			trans	-70.2	107	-175.8	-176.3	71.9	0	0	0	111.6	L59 I60 E61 P65	L59-W63 WeakPolarHBondContact O-CB 3.44Å; L59-W63 PolarHBondContact O-N 3.46Å; I60-W63 PolarHBondContact O-N 3.44Å; E61-W63 VanDerWaalsContact C-N 3.35Å; W63-P65 HydrophobicContact CE3-CG 4.29Å; W63-P65 HydrophobicContact CH2-CB 3.53Å; W63-P65 HydrophobicContact CH2-CG 3.85Å; W63-P65 HydrophobicContact CZ2-CB 3.58Å; W63-P65 HydrophobicContact CZ2-CG 4.29Å; W63-P65 HydrophobicContact CZ3-CB 4.03Å; W63-P65 HydrophobicContact CZ3-CG 3.82Å
64	Q	85.2	Confident	85.4	Confident	170 Å²	170	128.2 Å²	128.2	79%	0.794	64%	0.637	S	S	*	*			trans	-99.7	110.9	164.5	-65.9	-169.3	-1	0	0	108.5	E62 D66	E62-Q64 PolarHBondContact O-N 2.84Å; Q64-D66 PolarHBondContact O-N 3.45Å
65	P	83.8	Confident	85	Confident	79 Å²	79	124.7 Å²	124.7	51%	0.513	63%	0.632	S	S	.	*	P	Polyproline II helix	trans	-60.2	125.3	173.9	19.1	-26.1	0	0	0	109.1	W63 L67	W63-P65 HydrophobicContact CE3-CG 4.29Å; W63-P65 HydrophobicContact CH2-CB 3.53Å; W63-P65 HydrophobicContact CH2-CG 3.85Å; W63-P65 HydrophobicContact CZ2-CB 3.58Å; W63-P65 HydrophobicContact CZ2-CG 4.29Å; W63-P65 HydrophobicContact CZ3-CB 4.03Å; W63-P65 HydrophobicContact CZ3-CG 3.82Å; P65-L67 PolarHBondContact O-N 2.81Å
66	D	82.6	Confident	84.5	Confident	153 Å²	153	124.4 Å²	124.4	82%	0.818	63%	0.631	S	S	*	*	P	Polyproline II helix	trans	-54	138.6	161	-74.3	-35.2	0	0	0	108.4	Q64 L68	Q64-D66 PolarHBondContact O-N 3.45Å; D66-L68 PolarHBondContact O-N 3.3Å; D66-L68 VanDerWaalsContact O-N 3.16Å
67	L	83	Confident	83.8	Confident	114 Å²	114	124 Å²	124	60%	0.597	64%	0.637	S	S	*	*	P	Polyproline II helix	trans	-59.3	126.3	172.8	-65.4	170.6	0	0	0	108.2	P65 V69 L71	P65-L67 PolarHBondContact O-N 2.81Å; L67-V69 WeakPolarHBondContact CB-O 3.49Å; L67-V69 PolarHBondContact O-N 2.77Å; L67-L71 HydrophobicContact CD1-CD1 4.16Å; L67-L71 HydrophobicContact CD1-CD2 3.84Å; L67-L71 HydrophobicContact CD1-CG 3.59Å
68	L	84.2	Confident	83.1	Confident	182 Å²	182	122.2 Å²	122.2	95%	0.953	64%	0.639	S	S	*	*	S	Bend	trans	-55.1	-24.2	176.3	-68.7	172.9	0	0	0	112.3	D66	D66-L68 PolarHBondContact O-N 3.3Å; D66-L68 VanDerWaalsContact O-N 3.16Å
69	V	82.5	Confident	82.5	Confident	100 Å²	100	123.8 Å²	123.8	61%	0.606	65%	0.646	S	S	*	*	S	Bend	trans	-138.4	143.8	174.1	-68	0	0	0	0	110.4	L67	L67-V69 WeakPolarHBondContact CB-O 3.49Å; L67-V69 PolarHBondContact O-N 2.77Å
70	P	80.6	Confident	82.3	Confident	111 Å²	111	125 Å²	125	72%	0.721	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-55.9	148.2	173	-22.2	32.2	0	0	0	111.7	I72	P70-I72 PolarHBondContact O-N 3.13Å; P70-I72 VanDerWaalsContact O-N 3.13Å
71	L	81.5	Confident	82.3	Confident	155 Å²	155	127 Å²	127	81%	0.812	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-61.6	117.1	172.4	-68.7	170.8	0	0	0	109.7	L67	L67-L71 HydrophobicContact CD1-CD1 4.16Å; L67-L71 HydrophobicContact CD1-CD2 3.84Å; L67-L71 HydrophobicContact CD1-CG 3.59Å
72	I	78.9	Confident	82.4	Confident	111 Å²	111	123.3 Å²	123.3	57%	0.569	63%	0.634	S	S	*	*	P	Polyproline II helix	trans	-86.2	126.9	177.9	-56.9	175.4	0	0	0	108.2	P70 K74 H76 L79	P70-I72 PolarHBondContact O-N 3.13Å; P70-I72 VanDerWaalsContact O-N 3.13Å; I72-K74 PolarHBondContact O-N 3.23Å; I72-H76 HydrophobicContact CG2-CB 3.54Å; I72-L79 HydrophobicContact CG2-CD1 4.3Å
73	S	83.1	Confident	82.5	Confident	72 Å²	72	120.8 Å²	120.8	50%	0.503	62%	0.624	S	S	.	*	P	Polyproline II helix	trans	-56.7	137	171.8	175.7	0	0	0	0	110.3	D75 H76	S73-D75 PolarHBondContact O-N 3.32Å; S73-D75 VanDerWaalsContact O-N 3.11Å; S73-D75 PolarHBondContact OG-N 3.18Å; S73-H76 WeakPolarHBondContact O-CB 3.45Å; S73-H76 PolarHBondContact O-N 3.22Å
74	K	82.4	Confident	82.8	Confident	193 Å²	193	115.8 Å²	115.8	84%	0.839	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.4	-22	174.3	-66	-173.5	-178	-179.8	0	112.4	I72 H76	I72-K74 PolarHBondContact O-N 3.23Å; K74-H76 VanDerWaalsContact C-N 3.29Å
75	D	77.7	Confident	83.2	Confident	107 Å²	107	110.5 Å²	110.5	57%	0.572	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.5	6.2	175.6	-74.8	-58.6	0	0	0	114.1	S73 K80	S73-D75 PolarHBondContact O-N 3.32Å; S73-D75 VanDerWaalsContact O-N 3.11Å; S73-D75 PolarHBondContact OG-N 3.18Å; D75-K80 IonicContact OD1-NZ 2.81Å; D75-K80 PolarHBondContact OD1-NZ 3.13Å
76	H	77.1	Confident	83.4	Confident	82 Å²	82	109.4 Å²	109.4	38%	0.38	60%	0.598	S	S	.	*			trans	-56.8	127.9	179.1	-167.6	-84.4	0	0	0	110.5	I72 S73 K74 S78 L79	I72-H76 HydrophobicContact CG2-CB 3.54Å; S73-H76 WeakPolarHBondContact O-CB 3.45Å; S73-H76 PolarHBondContact O-N 3.22Å; K74-H76 VanDerWaalsContact C-N 3.29Å; H76-S78 PolarHBondContact CE1-OG 2.82Å; H76-S78 WeakPolarHBondContact ND1-CB 3.2Å; H76-S78 PolarHBondContact ND1-N 3.38Å; H76-S78 PolarHBondContact ND1-OG 3.29Å; H76-S78 PolarHBondContact O-N 2.94Å; H76-S78 VanDerWaalsContact O-N 3.08Å; H76-L79 HydrophobicContact CB-CD1 4.17Å; H76-L79 HydrophobicContact CB-CG 4.26Å; H76-L79 WeakPolarHBondContact O-CB 3.49Å; H76-L79 PolarHBondContact O-N 2.96Å
77	P	73.3	Confident	83.6	Confident	77 Å²	77	105.2 Å²	105.2	50%	0.5	58%	0.579	S	S	.	*	G	3₁₀ helix	trans	-53.8	-34.2	-175.7	-30.2	35.8	0	0	0	114.4	L79 K80	P77-L79 PolarHBondContact O-N 3.04Å; P77-K80 CarbonylContact O-C 3.5Å; P77-K80 PolarHBondContact O-N 3.5Å; P77-K80 VanDerWaalsContact O-O 3.14Å
78	S	74.7	Confident	83.7	Confident	92 Å²	92	101.4 Å²	101.4	64%	0.643	56%	0.561	S	S	*	*	G	3₁₀ helix	trans	-64.8	-17.8	176.9	-48.2	0	0	0	0	114.5	H76 K80	H76-S78 PolarHBondContact CE1-OG 2.82Å; H76-S78 WeakPolarHBondContact ND1-CB 3.2Å; H76-S78 PolarHBondContact ND1-N 3.38Å; H76-S78 PolarHBondContact ND1-OG 3.29Å; H76-S78 PolarHBondContact O-N 2.94Å; H76-S78 VanDerWaalsContact O-N 3.08Å; S78-K80 VanDerWaalsContact C-N 3.34Å
79	L	80.6	Confident	83.9	Confident	98 Å²	98	93.6 Å²	93.6	51%	0.513	52%	0.522	S	S	.	.	G	3₁₀ helix	trans	-85	-12.5	173.3	-59.3	176.3	0	0	0	112	I72 H76 P77	I72-L79 HydrophobicContact CG2-CD1 4.3Å; H76-L79 HydrophobicContact CB-CD1 4.17Å; H76-L79 HydrophobicContact CB-CG 4.26Å; H76-L79 WeakPolarHBondContact O-CB 3.49Å; H76-L79 PolarHBondContact O-N 2.96Å; P77-L79 PolarHBondContact O-N 3.04Å
80	K	82.9	Confident	84.3	Confident	113 Å²	113	90.6 Å²	90.6	49%	0.491	50%	0.501	S	S	.	.			trans	-105.9	91.3	179.1	-62.4	-178.8	-176.8	174	0	109.1	D75 P77 S78	D75-K80 IonicContact OD1-NZ 2.81Å; D75-K80 PolarHBondContact OD1-NZ 3.13Å; P77-K80 CarbonylContact O-C 3.5Å; P77-K80 PolarHBondContact O-N 3.5Å; P77-K80 VanDerWaalsContact O-O 3.14Å; S78-K80 VanDerWaalsContact C-N 3.34Å
81	Y	87.3	Confident	85	Confident	168 Å²	168	89.6 Å²	89.6	66%	0.659	49%	0.485	S	S	*	.			trans	-117.4	151.6	178.9	52.6	-93.4	0	0	0	112.1	I83	Y81-I83 HydrophobicContact CD2-CG1 3.97Å; Y81-I83 HydrophobicContact CE2-CD1 4.22Å; Y81-I83 HydrophobicContact CE2-CG1 3.87Å
82	N	90.9	Very high	85.6	Confident	90 Å²	90	82.8 Å²	82.8	48%	0.481	45%	0.45	S	S	.	.	P	Polyproline II helix	trans	-82	135.5	172.8	-73.2	-34.1	0	0	0	109.7	V94 N95	N82-V94 HydrophobicContact CB-CG1 3.74Å; N82-N95 PolarHBondContact OD1-ND2 2.95Å
83	I	93.3	Very high	86.4	Confident	93 Å²	93	80.6 Å²	80.6	48%	0.477	44%	0.438	S	S	.	.	P	Polyproline II helix	trans	-100.6	125.9	-179.5	-58.8	174.7	0	0	0	108.8	Y81 V94 N95	Y81-I83 HydrophobicContact CD2-CG1 3.97Å; Y81-I83 HydrophobicContact CE2-CD1 4.22Å; Y81-I83 HydrophobicContact CE2-CG1 3.87Å; I83-V94 WeakPolarHBondContact O-CA 3.5Å; I83-N95 PolarHBondContact N-OD1 3.25Å; I83-N95 PolarHBondContact O-N 2.85Å
84	V	93.8	Very high	87.1	Confident	71 Å²	71	77.6 Å²	77.6	43%	0.43	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	140.7	175.1	175	0	0	0	0	109.9	I92 I93 V94	V84-I92 HydrophobicContact CB-CD1 4.44Å; V84-I92 HydrophobicContact CG1-CD1 3.71Å; V84-I92 HydrophobicContact CG1-CG1 3.7Å; V84-I92 HydrophobicContact CG2-CD1 3.8Å; V84-I92 HydrophobicContact CG2-CG1 4.36Å; V84-I93 VanDerWaalsContact CA-O 3.31Å; V84-I93 WeakPolarHBondContact CA-O 3.19Å; V84-V94 HydrophobicContact CG2-CG2 4.5Å
85	S	93.5	Very high	87.6	Confident	60 Å²	60	72.3 Å²	72.3	42%	0.42	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	136.7	172.1	-58.5	0	0	0	0	110.6	I93	S85-I93 PolarHBondContact N-O 3.11Å; S85-I93 WeakPolarHBondContact O-CB 3.14Å
86	G	86.6	Confident	88.4	Confident	55 Å²	55	70.5 Å²	70.5	57%	0.567	40%	0.404	S	S	*	.	S	Bend	trans	78.7	-179.6	-175.5	0	0	0	0	0	114.1
87	P	87.7	Confident	89.3	Confident	65 Å²	65	71.8 Å²	71.8	42%	0.422	41%	0.409	S	S	.	.			trans	-73.7	130.1	-176.4	29.2	-33.5	0	0	0	111.7	S89 L111 D112	P87-S89 PolarHBondContact O-N 3.19Å; P87-L111 HydrophobicContact CB-CD2 4.46Å; P87-D112 HydrophobicContact CB-CB 4.04Å; P87-D112 HydrophobicContact CG-CB 4.42Å
88	P	84.4	Confident	90.4	Very high	35 Å²	35	73 Å²	73	23%	0.227	41%	0.408	C	S	.	.			trans	-73.4	92.6	174.8	27.9	-33.4	0	0	0	111.6	I92 N106 L111	P88-I92 HydrophobicContact CB-CD1 3.9Å; P88-I92 HydrophobicContact CB-CG1 4.48Å; P88-N106 PolarHBondContact O-ND2 2.77Å; P88-L111 HydrophobicContact CG-CD1 4.24Å; P88-L111 HydrophobicContact CG-CD2 3.71Å
89	S	89.2	Confident	91.5	Very high	17 Å²	17	68.7 Å²	68.7	12%	0.119	38%	0.378	C	S	.	.	S	Bend	trans	-102.3	-158.3	170.8	-172.5	0	0	0	0	110	P87 K91 N101	P87-S89 PolarHBondContact O-N 3.19Å; S89-K91 CarbonylContact C-O 3.43Å; S89-K91 PolarHBondContact N-O 3.35Å; S89-K91 PolarHBondContact O-N 3.31Å; S89-N101 WeakPolarHBondContact O-CB 3.45Å; S89-N101 PolarHBondContact O-ND2 3.35Å
90	H	91.4	Very high	92.3	Very high	38 Å²	38	64.6 Å²	64.6	18%	0.176	36%	0.356	C	S	.	.	S	Bend	trans	-61.5	-18.5	169.1	69.8	-61	0	0	0	113.5	N101 T448 K450 Q451 D455	H90-N101 WeakPolarHBondContact O-CB 3.14Å; H90-N101 PolarHBondContact O-N 3.05Å; H90-T448 HydrophobicContact CB-CG2 4.24Å; H90-K450 HydrophobicContact CB-CB 3.75Å; H90-K450 PolarHBondContact CD2-O 3.25Å; H90-Q451 HydrophobicContact CB-CG 4.35Å; H90-D455 IonicContact CD2-OD2 2.67Å
91	K	94	Very high	92.9	Very high	90 Å²	90	59.4 Å²	59.4	39%	0.391	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	146.2	165.2	-69.4	-172.6	167.6	-156.5	0	109.8	S89 E98 C99	S89-K91 CarbonylContact C-O 3.43Å; S89-K91 PolarHBondContact N-O 3.35Å; S89-K91 PolarHBondContact O-N 3.31Å; K91-E98 IonicContact NZ-OE1 2.59Å; K91-E98 IonicContact NZ-OE2 3.3Å; K91-E98 PolarHBondContact NZ-OE2 2.86Å; K91-C99 WeakPolarHBondContact CA-O 3.24Å
92	I	95.1	Very high	93.4	Very high	12 Å²	12	51.6 Å²	51.6	6%	0.062	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	146	-178.1	-169.2	169.1	0	0	0	110.2	V84 P88 V94 C99 N101 A424	V84-I92 HydrophobicContact CB-CD1 4.44Å; V84-I92 HydrophobicContact CG1-CD1 3.71Å; V84-I92 HydrophobicContact CG1-CG1 3.7Å; V84-I92 HydrophobicContact CG2-CD1 3.8Å; V84-I92 HydrophobicContact CG2-CG1 4.36Å; P88-I92 HydrophobicContact CB-CD1 3.9Å; P88-I92 HydrophobicContact CB-CG1 4.48Å; I92-V94 HydrophobicContact CD1-CG2 4.44Å; I92-V94 HydrophobicContact CG1-CG2 4.25Å; I92-V94 HydrophobicContact CG2-CG2 3.98Å; I92-C99 HydrophobicContact CG2-CB 4.17Å; I92-C99 PolarHBondContact N-O 3.46Å; I92-C99 PolarHBondContact O-N 2.85Å; I92-N101 HydrophobicContact CB-CB 4.04Å; I92-N101 HydrophobicContact CG2-CB 3.65Å; I92-A424 HydrophobicContact CG2-CB 3.9Å
93	I	96.4	Very high	93.6	Very high	65 Å²	65	48.6 Å²	48.6	33%	0.333	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	115.9	173.5	-56.8	168.8	0	0	0	108.2	V84 S85 K97	V84-I93 VanDerWaalsContact CA-O 3.31Å; V84-I93 WeakPolarHBondContact CA-O 3.19Å; S85-I93 PolarHBondContact N-O 3.11Å; S85-I93 WeakPolarHBondContact O-CB 3.14Å; I93-K97 WeakPolarHBondContact CA-O 3.18Å
94	V	96.3	Very high	93.6	Very high	9 Å²	9	45.7 Å²	45.7	6%	0.055	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	121.6	179.4	-176.8	0	0	0	0	109	N82 I83 V84 I92 G96 K97 L419 A424	N82-V94 HydrophobicContact CB-CG1 3.74Å; I83-V94 WeakPolarHBondContact O-CA 3.5Å; V84-V94 HydrophobicContact CG2-CG2 4.5Å; I92-V94 HydrophobicContact CD1-CG2 4.44Å; I92-V94 HydrophobicContact CG1-CG2 4.25Å; I92-V94 HydrophobicContact CG2-CG2 3.98Å; V94-G96 PolarHBondContact O-N 2.78Å; V94-K97 PolarHBondContact N-O 3.14Å; V94-K97 WeakPolarHBondContact O-CB 3.39Å; V94-K97 PolarHBondContact O-N 2.7Å; V94-L419 HydrophobicContact CB-CD1 4.08Å; V94-L419 HydrophobicContact CG1-CD1 4.02Å; V94-L419 HydrophobicContact CG1-CD2 4.38Å; V94-A424 HydrophobicContact CG2-CB 4.29Å
95	N	94.5	Very high	93.7	Very high	82 Å²	82	44.7 Å²	44.7	44%	0.439	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.3	41.8	-176.6	-56.7	-28.7	0	0	0	112.3	N82 I83 K97	N82-N95 PolarHBondContact OD1-ND2 2.95Å; I83-N95 PolarHBondContact N-OD1 3.25Å; I83-N95 PolarHBondContact O-N 2.85Å; N95-K97 VanDerWaalsContact C-N 3.31Å; N95-K97 PolarHBondContact O-N 3.45Å
96	G	94.6	Very high	93.7	Very high	68 Å²	68	42.1 Å²	42.1	70%	0.701	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.9	2	-178.2	0	0	0	0	0	116	V94	V94-G96 PolarHBondContact O-N 2.78Å
97	K	94.8	Very high	94.2	Very high	109 Å²	109	39.5 Å²	39.5	47%	0.474	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	124	179.1	-61	179.4	-177.6	177.8	0	111.3	I93 V94 N95 C99	I93-K97 WeakPolarHBondContact CA-O 3.18Å; V94-K97 PolarHBondContact N-O 3.14Å; V94-K97 WeakPolarHBondContact O-CB 3.39Å; V94-K97 PolarHBondContact O-N 2.7Å; N95-K97 VanDerWaalsContact C-N 3.31Å; N95-K97 PolarHBondContact O-N 3.45Å; K97-C99 PolarHBondContact O-N 2.77Å; K97-C99 PolarHBondContact O-SG 3.22Å
98	E	96.5	Very high	94.6	Very high	103 Å²	103	36.4 Å²	36.4	48%	0.481	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	125.1	169.5	-174.2	-179.1	-89.7	0	0	110.2	K91 K422	K91-E98 IonicContact NZ-OE1 2.59Å; K91-E98 IonicContact NZ-OE2 3.3Å; K91-E98 PolarHBondContact NZ-OE2 2.86Å; E98-K422 WeakPolarHBondContact O-CB 3.25Å; E98-K422 WeakPolarHBondContact O-CD 3.36Å; E98-K422 WeakPolarHBondContact O-CG 3.49Å
99	C	97.1	Very high	95.2	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.014	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	153.2	-176.4	-60.9	0	0	0	0	110.9	K91 I92 K97 K422 A424	K91-C99 WeakPolarHBondContact CA-O 3.24Å; I92-C99 HydrophobicContact CG2-CB 4.17Å; I92-C99 PolarHBondContact N-O 3.46Å; I92-C99 PolarHBondContact O-N 2.85Å; K97-C99 PolarHBondContact O-N 2.77Å; K97-C99 PolarHBondContact O-SG 3.22Å; C99-K422 CarbonylContact C-O 3.3Å; C99-K422 VanDerWaalsContact CA-O 3.28Å; C99-K422 WeakPolarHBondContact CA-O 3.43Å; C99-A424 HydrophobicContact CB-CB 3.92Å
100	I	97.3	Very high	95.5	Very high	12 Å²	12	34.3 Å²	34.3	6%	0.062	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	129.6	166	-57.9	168.2	0	0	0	107.9	F102 K422 A424 D455 K458	I100-F102 HydrophobicContact CG2-CD2 3.87Å; I100-F102 HydrophobicContact CG2-CE2 3.49Å; I100-F102 VanDerWaalsContact CG2-CE2 3.49Å; I100-K422 PolarHBondContact N-O 3Å; I100-A424 PolarHBondContact O-N 2.83Å; I100-D455 HydrophobicContact CD1-CB 4.36Å; I100-D455 HydrophobicContact CG2-CB 3.75Å; I100-K458 HydrophobicContact CD1-CB 4.28Å; I100-K458 HydrophobicContact CD1-CD 3.73Å; I100-K458 HydrophobicContact CD1-CG 4.23Å
101	N	97.1	Very high	95.5	Very high	3 Å²	3	35.8 Å²	35.8	2%	0.016	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	115.1	-171.4	-170.6	1.7	0	0	0	112	S89 H90 I92 A103 S104 Q451	S89-N101 WeakPolarHBondContact O-CB 3.45Å; S89-N101 PolarHBondContact O-ND2 3.35Å; H90-N101 WeakPolarHBondContact O-CB 3.14Å; H90-N101 PolarHBondContact O-N 3.05Å; I92-N101 HydrophobicContact CB-CB 4.04Å; I92-N101 HydrophobicContact CG2-CB 3.65Å; N101-A103 PolarHBondContact OD1-N 2.94Å; N101-S104 PolarHBondContact ND2-OG 2.92Å; N101-S104 PolarHBondContact OD1-N 2.84Å; N101-Q451 PolarHBondContact O-NE2 3.23Å
102	F	97.4	Very high	95.4	Very high	4 Å²	4	34 Å²	34	2%	0.018	19%	0.193	C	C	.	.			trans	-123.9	21.3	167.3	-76.3	-91.3	0	0	0	111.1	I100 V372 V423 A424 L425 V445 V446 Q451 I456 A459	I100-F102 HydrophobicContact CG2-CD2 3.87Å; I100-F102 HydrophobicContact CG2-CE2 3.49Å; I100-F102 VanDerWaalsContact CG2-CE2 3.49Å; F102-V372 HydrophobicContact CE1-CG2 4.49Å; F102-V423 HydrophobicContact CD2-CG1 4.44Å; F102-A424 CarbonylContact C-O 3.59Å; F102-A424 WeakPolarHBondContact CA-O 3.32Å; F102-A424 PolarHBondContact N-O 2.81Å; F102-L425 HydrophobicContact CB-CD2 3.66Å; F102-V445 HydrophobicContact CB-CG1 4.22Å; F102-V445 HydrophobicContact CD1-CG1 3.71Å; F102-V445 HydrophobicContact CG-CG1 4.29Å; F102-V446 WeakPolarHBondContact CA-O 3.3Å; F102-V446 VanDerWaalsContact CD1-O 3.25Å; F102-V446 WeakPolarHBondContact CD1-O 3.17Å; F102-V446 PolarHBondContact O-N 3.11Å; F102-Q451 VanDerWaalsContact CE1-CD 3.42Å; F102-Q451 HydrophobicContact CE1-CG 4.31Å; F102-Q451 HydrophobicContact CZ-CG 4.08Å; F102-I456 HydrophobicContact CZ-CG1 4.15Å; F102-A459 HydrophobicContact CD2-CB 3.76Å; F102-A459 HydrophobicContact CE2-CB 3.34Å; F102-A459 HydrophobicContact CZ-CB 3.87Å
103	A	95.3	Very high	95.4	Very high	27 Å²	27	35.1 Å²	35.1	22%	0.223	20%	0.199	C	C	.	.	S	Bend	trans	-112.4	-27.8	-171.7	0	0	0	0	0	114.2	N101 A424 T426	N101-A103 PolarHBondContact OD1-N 2.94Å; A103-A424 PolarHBondContact N-O 2.99Å; A103-T426 HydrophobicContact CB-CG2 4.45Å
104	S	93.6	Very high	95.4	Very high	32 Å²	32	37.4 Å²	37.4	22%	0.224	21%	0.208	C	C	.	.	S	Bend	trans	-99.3	142	-175.5	67.5	0	0	0	0	113.2	N101 N106 V446	N101-S104 PolarHBondContact ND2-OG 2.92Å; N101-S104 PolarHBondContact OD1-N 2.84Å; S104-N106 PolarHBondContact O-N 3.38Å; S104-V446 WeakPolarHBondContact O-CG1 3.33Å
105	F	94.6	Very high	95.4	Very high	51 Å²	51	41.3 Å²	41.3	22%	0.224	22%	0.222	C	C	.	.			trans	-71.8	32.8	-179.9	-65.2	-80.4	0	0	0	116.4	F107 I248 M276 N308 A392 R444 V446	F105-F107 VanDerWaalsContact C-N 3.29Å; F105-F107 HydrophobicContact CB-CE1 4.08Å; F105-F107 HydrophobicContact CB-CZ 4.3Å; F105-F107 AromaticContact CD1-CE1 3.64Å; F105-F107 HydrophobicContact CD1-CE1 3.64Å; F105-F107 AromaticContact CD1-CZ 3.67Å; F105-F107 HydrophobicContact CD1-CZ 3.67Å; F105-F107 HydrophobicContact CG-CE1 4.36Å; F105-F107 HydrophobicContact CG-CZ 4.49Å; F105-F107 PolarHBondContact O-N 2.86Å; F105-I248 HydrophobicContact CZ-CD1 4.17Å; F105-M276 HydrophobicContact CD1-CE 4.26Å; F105-M276 HydrophobicContact CD1-SD 4.34Å; F105-M276 HydrophobicContact CE1-CE 3.92Å; F105-M276 HydrophobicContact CE1-SD 4.07Å; F105-N308 HydrophobicContact CB-CB 4.35Å; F105-N308 WeakPolarHBondContact CB-OD1 3.46Å; F105-N308 WeakPolarHBondContact CG-OD1 3.43Å; F105-N308 CarbonylContact O-C 3.59Å; F105-N308 VanDerWaalsContact O-C 3.3Å; F105-N308 WeakPolarHBondContact O-CA 3.31Å; F105-N308 VanDerWaalsContact O-O 3.12Å; F105-A392 HydrophobicContact CD1-CB 4.42Å; F105-A392 HydrophobicContact CE1-CB 3.8Å; F105-R444 VanDerWaalsContact CZ-CD 3.42Å; F105-V446 HydrophobicContact CD1-CG1 4.42Å; F105-V446 HydrophobicContact CD1-CG2 4.39Å; F105-V446 HydrophobicContact CE1-CG2 4.35Å
106	N	95	Very high	95.6	Very high	5 Å²	5	37.7 Å²	37.7	3%	0.027	20%	0.203	C	C	.	.			trans	-86.4	62.5	-179.6	-175.4	13.9	0	0	0	111.6	P88 S104 L108 G109 L110 L111 T448	P88-N106 PolarHBondContact O-ND2 2.77Å; S104-N106 PolarHBondContact O-N 3.38Å; N106-L108 PolarHBondContact O-N 3.1Å; N106-G109 PolarHBondContact O-N 3.47Å; N106-G109 VanDerWaalsContact O-N 3.08Å; N106-G109 WeakPolarHBondContact OD1-CA 3.33Å; N106-G109 PolarHBondContact OD1-N 3.18Å; N106-L110 PolarHBondContact OD1-N 3.33Å; N106-L110 VanDerWaalsContact OD1-N 3.15Å; N106-L111 WeakPolarHBondContact ND2-CB 3.5Å; N106-L111 PolarHBondContact OD1-N 2.89Å; N106-T448 WeakPolarHBondContact O-CB 3.42Å; N106-T448 PolarHBondContact O-OG1 2.65Å
107	F	95.9	Very high	95.7	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-48	-168.9	-55.3	-29.1	0	0	0	113.4	F105 G109 M276 V280 N308 A309 L365 P391 V446 T448 V449	F105-F107 VanDerWaalsContact C-N 3.29Å; F105-F107 HydrophobicContact CB-CE1 4.08Å; F105-F107 HydrophobicContact CB-CZ 4.3Å; F105-F107 AromaticContact CD1-CE1 3.64Å; F105-F107 HydrophobicContact CD1-CE1 3.64Å; F105-F107 AromaticContact CD1-CZ 3.67Å; F105-F107 HydrophobicContact CD1-CZ 3.67Å; F105-F107 HydrophobicContact CG-CE1 4.36Å; F105-F107 HydrophobicContact CG-CZ 4.49Å; F105-F107 PolarHBondContact O-N 2.86Å; F107-G109 VanDerWaalsContact C-N 3.33Å; F107-M276 HydrophobicContact CE1-CE 4.48Å; F107-M276 HydrophobicContact CE2-CE 4.43Å; F107-M276 HydrophobicContact CZ-CE 3.65Å; F107-M276 HydrophobicContact CZ-SD 4.12Å; F107-V280 HydrophobicContact CD2-CG2 3.75Å; F107-V280 HydrophobicContact CE2-CG2 4.13Å; F107-N308 HydrophobicContact CD2-CB 3.93Å; F107-N308 HydrophobicContact CE2-CB 3.54Å; F107-N308 HydrophobicContact CZ-CB 4.04Å; F107-A309 HydrophobicContact CD2-CB 4.46Å; F107-L365 HydrophobicContact CB-CD1 4.39Å; F107-L365 HydrophobicContact CB-CD2 3.84Å; F107-P391 HydrophobicContact CD1-CB 3.61Å; F107-P391 HydrophobicContact CD1-CG 4.02Å; F107-P391 HydrophobicContact CD2-CB 4.25Å; F107-P391 HydrophobicContact CD2-CG 4Å; F107-P391 HydrophobicContact CE1-CB 3.67Å; F107-P391 HydrophobicContact CE1-CG 3.68Å; F107-P391 HydrophobicContact CE2-CB 4.3Å; F107-P391 HydrophobicContact CE2-CG 3.66Å; F107-P391 HydrophobicContact CG-CB 3.92Å; F107-P391 HydrophobicContact CG-CG 4.18Å; F107-P391 HydrophobicContact CZ-CB 4.04Å; F107-P391 HydrophobicContact CZ-CG 3.51Å; F107-V446 HydrophobicContact CD1-CG1 4.08Å; F107-V446 HydrophobicContact CE1-CG1 3.84Å; F107-T448 CarbonylContact O-C 3.59Å; F107-T448 VanDerWaalsContact O-CA 3.25Å; F107-T448 WeakPolarHBondContact O-CA 3.26Å; F107-T448 PolarHBondContact O-OG1 3.45Å; F107-V449 PolarHBondContact O-N 3.37Å
108	L	97	Very high	95.8	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.005	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	1.6	-176.6	-58.1	-178.1	0	0	0	113.2	N106 L110 A309 M355 I361 F362 L365 V449	N106-L108 PolarHBondContact O-N 3.1Å; L108-L110 HydrophobicContact CB-CD1 3.95Å; L108-L110 HydrophobicContact CB-CG 3.77Å; L108-L110 HydrophobicContact CD1-CD1 4.24Å; L108-L110 PolarHBondContact O-N 2.86Å; L108-A309 HydrophobicContact CD1-CB 3.91Å; L108-A309 HydrophobicContact CG-CB 4.18Å; L108-M355 HydrophobicContact CD1-CE 3.53Å; L108-M355 HydrophobicContact CD1-CG 3.95Å; L108-M355 HydrophobicContact CD1-SD 4.06Å; L108-I361 HydrophobicContact CB-CD1 4.02Å; L108-I361 HydrophobicContact CD2-CD1 4.22Å; L108-I361 HydrophobicContact CD2-CG1 4.09Å; L108-I361 HydrophobicContact CD2-CG2 4.26Å; L108-F362 HydrophobicContact CD1-CD1 4.41Å; L108-F362 HydrophobicContact CD1-CE1 3.83Å; L108-F362 HydrophobicContact CD2-CD1 4.12Å; L108-F362 HydrophobicContact CD2-CE1 4.36Å; L108-L365 HydrophobicContact CD2-CD2 3.98Å; L108-V449 HydrophobicContact CD2-CG1 4.39Å; L108-V449 WeakPolarHBondContact O-CG2 2.92Å
109	G	95.4	Very high	95.9	Very high	3 Å²	3	37.6 Å²	37.6	3%	0.031	18%	0.183	C	C	.	.	S	Bend	trans	62.6	25.8	177.7	0	0	0	0	0	113.4	N106 F107	N106-G109 PolarHBondContact O-N 3.47Å; N106-G109 VanDerWaalsContact O-N 3.08Å; N106-G109 WeakPolarHBondContact OD1-CA 3.33Å; N106-G109 PolarHBondContact OD1-N 3.18Å; F107-G109 VanDerWaalsContact C-N 3.33Å
110	L	95.9	Very high	95.9	Very high	4 Å²	4	38.6 Å²	38.6	2%	0.021	19%	0.192	C	C	.	.			trans	-87.3	-17.2	-173.2	-65.9	-177.8	0	0	0	112.9	N106 L108 D112 N113 A311 A351 I354 M355	N106-L110 PolarHBondContact OD1-N 3.33Å; N106-L110 VanDerWaalsContact OD1-N 3.15Å; L108-L110 HydrophobicContact CB-CD1 3.95Å; L108-L110 HydrophobicContact CB-CG 3.77Å; L108-L110 HydrophobicContact CD1-CD1 4.24Å; L108-L110 PolarHBondContact O-N 2.86Å; L110-D112 PolarHBondContact O-N 3.08Å; L110-N113 WeakPolarHBondContact O-CB 3.25Å; L110-N113 PolarHBondContact O-N 2.89Å; L110-A311 VanDerWaalsContact C-CB 3.49Å; L110-A311 HydrophobicContact CB-CB 3.62Å; L110-A351 HydrophobicContact CD1-CB 3.92Å; L110-I354 HydrophobicContact CD2-CB 4.46Å; L110-I354 HydrophobicContact CD2-CD1 4.13Å; L110-I354 HydrophobicContact CD2-CG2 3.83Å; L110-M355 HydrophobicContact CD1-CE 4.06Å
111	L	91.8	Very high	96	Very high	70 Å²	70	42.4 Å²	42.4	37%	0.366	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-31.5	-176.4	-168.6	143.2	0	0	0	113.9	P87 P88 N106 A311	P87-L111 HydrophobicContact CB-CD2 4.46Å; P88-L111 HydrophobicContact CG-CD1 4.24Å; P88-L111 HydrophobicContact CG-CD2 3.71Å; N106-L111 WeakPolarHBondContact ND2-CB 3.5Å; N106-L111 PolarHBondContact OD1-N 2.89Å; L111-A311 HydrophobicContact CB-CB 4.49Å
112	D	91.1	Very high	96	Very high	51 Å²	51	46.9 Å²	46.9	27%	0.273	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.6	20.2	176.7	-166	28.9	0	0	0	112.5	P87 L110 K117	P87-D112 HydrophobicContact CB-CB 4.04Å; P87-D112 HydrophobicContact CG-CB 4.42Å; L110-D112 PolarHBondContact O-N 3.08Å; D112-K117 IonicContact OD1-NZ 3.28Å; D112-K117 PolarHBondContact OD1-NZ 3.44Å
113	N	95.5	Very high	96	Very high	37 Å²	37	47 Å²	47	20%	0.198	24%	0.235	C	C	.	.			trans	-73	131.8	177.8	-175.2	-66.3	0	0	0	110.6	L110 R115 V116 K117	L110-N113 WeakPolarHBondContact O-CB 3.25Å; L110-N113 PolarHBondContact O-N 2.89Å; N113-R115 PolarHBondContact O-N 2.86Å; N113-R115 WeakPolarHBondContact OD1-CB 3.43Å; N113-R115 PolarHBondContact OD1-N 3.46Å; N113-V116 HydrophobicContact CB-CB 4.22Å; N113-V116 HydrophobicContact CB-CG2 3.93Å; N113-V116 PolarHBondContact O-N 3Å; N113-K117 WeakPolarHBondContact O-CG 3.42Å; N113-K117 PolarHBondContact O-N 2.9Å
114	E	96.4	Very high	96.2	Very high	113 Å²	113	48.9 Å²	48.9	53%	0.528	24%	0.241	S	C	.	.	H	α-helix	trans	-59.5	-41.8	-177.9	-64.2	-54.4	145.3	0	0	113.2	V116 K117 E118	E114-V116 VanDerWaalsContact C-N 3.31Å; E114-V116 PolarHBondContact O-N 3.22Å; E114-K117 VanDerWaalsContact CD-NZ 3.3Å; E114-K117 PolarHBondContact O-N 2.88Å; E114-K117 VanDerWaalsContact OE1-CE 3.29Å; E114-K117 WeakPolarHBondContact OE1-CE 3.46Å; E114-K117 IonicContact OE1-NZ 3.68Å; E114-K117 PolarHBondContact OE1-NZ 3.37Å; E114-K117 WeakPolarHBondContact OE2-CE 3.4Å; E114-K117 IonicContact OE2-NZ 3.51Å; E114-K117 PolarHBondContact OE2-NZ 3.02Å; E114-E118 WeakPolarHBondContact O-CB 3.5Å; E114-E118 VanDerWaalsContact O-CG 3.3Å; E114-E118 WeakPolarHBondContact O-CG 3.33Å; E114-E118 PolarHBondContact O-N 2.83Å
115	R	97.6	Very high	96.4	Very high	91 Å²	91	55.2 Å²	55.2	34%	0.343	27%	0.265	S	S	.	.	H	α-helix	trans	-60.4	-43.1	178.2	-66.9	170.5	55.8	172.9	1.4	111.5	N113 E118 K119 E350 I354 E357	N113-R115 PolarHBondContact O-N 2.86Å; N113-R115 WeakPolarHBondContact OD1-CB 3.43Å; N113-R115 PolarHBondContact OD1-N 3.46Å; R115-E118 PolarHBondContact O-N 3.19Å; R115-K119 VanDerWaalsContact O-CG 3.22Å; R115-K119 WeakPolarHBondContact O-CG 3.38Å; R115-K119 PolarHBondContact O-N 2.81Å; R115-E350 HydrophobicContact CB-CG 4.08Å; R115-E350 IonicContact CZ-OE1 3.05Å; R115-E350 IonicContact NE-OE1 3.28Å; R115-E350 PolarHBondContact NE-OE1 3.26Å; R115-E350 IonicContact NH2-OE1 3.86Å; R115-E350 PolarHBondContact NH2-OE1 2.9Å; R115-I354 HydrophobicContact CB-CD1 4.45Å; R115-E357 IonicContact CZ-OE1 2.96Å; R115-E357 IonicContact CZ-OE2 3.77Å; R115-E357 IonicContact NH1-OE1 3.77Å; R115-E357 IonicContact NH1-OE2 3.11Å; R115-E357 PolarHBondContact NH1-OE2 2.7Å; R115-E357 IonicContact NH2-OE1 3.1Å; R115-E357 PolarHBondContact NH2-OE1 2.96Å; R115-E357 IonicContact NH2-OE2 3.43Å; R115-E357 PolarHBondContact NH2-OE2 2.89Å; R115-E357 VanDerWaalsContact NH2-OE2 3.1Å
116	V	97.6	Very high	96.5	Very high	6 Å²	6	59.4 Å²	59.4	4%	0.036	28%	0.283	C	S	.	.	H	α-helix	trans	-64.3	-45.6	178.5	178.3	0	0	0	0	110.4	N113 E114 K119 A120 A311 A347 E350 I354	N113-V116 HydrophobicContact CB-CB 4.22Å; N113-V116 HydrophobicContact CB-CG2 3.93Å; N113-V116 PolarHBondContact O-N 3Å; E114-V116 VanDerWaalsContact C-N 3.31Å; E114-V116 PolarHBondContact O-N 3.22Å; V116-K119 PolarHBondContact O-N 2.84Å; V116-A120 PolarHBondContact O-N 3.5Å; V116-A311 HydrophobicContact CG1-CB 4.29Å; V116-A347 HydrophobicContact CG1-CB 3.69Å; V116-E350 HydrophobicContact CG2-CB 4.29Å; V116-E350 HydrophobicContact CG2-CG 4.08Å; V116-I354 HydrophobicContact CG2-CD1 3.83Å
117	K	96.7	Very high	96.6	Very high	73 Å²	73	61.5 Å²	61.5	32%	0.317	29%	0.291	S	S	.	.	H	α-helix	trans	-61.9	-43.7	176.9	-71.8	-174.6	-63	-167.9	0	112.3	D112 N113 E114 K119 A120 L121	D112-K117 IonicContact OD1-NZ 3.28Å; D112-K117 PolarHBondContact OD1-NZ 3.44Å; N113-K117 WeakPolarHBondContact O-CG 3.42Å; N113-K117 PolarHBondContact O-N 2.9Å; E114-K117 VanDerWaalsContact CD-NZ 3.3Å; E114-K117 PolarHBondContact O-N 2.88Å; E114-K117 VanDerWaalsContact OE1-CE 3.29Å; E114-K117 WeakPolarHBondContact OE1-CE 3.46Å; E114-K117 IonicContact OE1-NZ 3.68Å; E114-K117 PolarHBondContact OE1-NZ 3.37Å; E114-K117 WeakPolarHBondContact OE2-CE 3.4Å; E114-K117 IonicContact OE2-NZ 3.51Å; E114-K117 PolarHBondContact OE2-NZ 3.02Å; K117-K119 PolarHBondContact O-N 2.82Å; K117-A120 PolarHBondContact O-N 3.27Å; K117-L121 WeakPolarHBondContact O-CB 3.28Å; K117-L121 PolarHBondContact O-N 3.03Å
118	E	98.1	Very high	96.6	Very high	113 Å²	113	63 Å²	63	53%	0.528	31%	0.306	S	S	.	.	H	α-helix	trans	-61.3	-43.8	177.2	-75.4	174.7	-174.8	0	0	111.6	E114 R115 L121 M122	E114-E118 WeakPolarHBondContact O-CB 3.5Å; E114-E118 VanDerWaalsContact O-CG 3.3Å; E114-E118 WeakPolarHBondContact O-CG 3.33Å; E114-E118 PolarHBondContact O-N 2.83Å; R115-E118 PolarHBondContact O-N 3.19Å; E118-L121 PolarHBondContact O-N 3.3Å; E118-M122 WeakPolarHBondContact O-CG 3.3Å; E118-M122 PolarHBondContact O-N 3.39Å
119	K	97.9	Very high	96.5	Very high	92 Å²	92	68.3 Å²	68.3	40%	0.4	34%	0.338	S	S	.	.	H	α-helix	trans	-63.9	-43.3	177.2	-69.1	-82.5	174.9	-178.7	0	112.1	R115 V116 K117 M122 S123 E350	R115-K119 VanDerWaalsContact O-CG 3.22Å; R115-K119 WeakPolarHBondContact O-CG 3.38Å; R115-K119 PolarHBondContact O-N 2.81Å; V116-K119 PolarHBondContact O-N 2.84Å; K117-K119 PolarHBondContact O-N 2.82Å; K119-M122 HydrophobicContact CD-CE 3.65Å; K119-M122 HydrophobicContact CG-CE 4.11Å; K119-M122 PolarHBondContact O-N 2.9Å; K119-S123 WeakPolarHBondContact O-CB 3.45Å; K119-S123 PolarHBondContact O-N 3Å; K119-E350 HydrophobicContact CB-CB 4.13Å; K119-E350 HydrophobicContact CB-CG 4.44Å; K119-E350 WeakPolarHBondContact CE-OE2 3.41Å; K119-E350 HydrophobicContact CG-CB 3.89Å; K119-E350 HydrophobicContact CG-CG 3.79Å
120	A	97.5	Very high	96.3	Very high	23 Å²	23	69.5 Å²	69.5	19%	0.19	35%	0.35	C	S	.	.	H	α-helix	trans	-60.3	-44	172.6	0	0	0	0	0	112.1	V116 K117 S123 L124 M343 A347	V116-A120 PolarHBondContact O-N 3.5Å; K117-A120 PolarHBondContact O-N 3.27Å; A120-S123 WeakPolarHBondContact O-CB 3.37Å; A120-S123 PolarHBondContact O-N 3.2Å; A120-L124 PolarHBondContact O-N 2.89Å; A120-M343 HydrophobicContact CB-CB 4.34Å; A120-A347 HydrophobicContact CB-CB 4.48Å
121	L	97.9	Very high	96.1	Very high	91 Å²	91	70 Å²	70	48%	0.476	35%	0.353	S	S	.	.	H	α-helix	trans	-65.2	-40.9	178.9	-177.7	63.9	0	0	0	112.4	K117 E118 S123 L124 K125	K117-L121 WeakPolarHBondContact O-CB 3.28Å; K117-L121 PolarHBondContact O-N 3.03Å; E118-L121 PolarHBondContact O-N 3.3Å; L121-S123 VanDerWaalsContact C-N 3.33Å; L121-L124 HydrophobicContact CD1-CD2 4.38Å; L121-L124 WeakPolarHBondContact O-CB 3.32Å; L121-L124 PolarHBondContact O-N 3.24Å; L121-K125 WeakPolarHBondContact O-CG 3.49Å; L121-K125 PolarHBondContact O-N 3Å; L121-K125 VanDerWaalsContact O-N 3.1Å
122	M	98.2	Very high	96.1	Very high	98 Å²	98	71.9 Å²	71.9	48%	0.483	37%	0.372	S	S	.	.	H	α-helix	trans	-63.1	-42.4	173.9	-73	-174.1	-70.1	0	0	111.3	E118 K119 K125 K126	E118-M122 WeakPolarHBondContact O-CG 3.3Å; E118-M122 PolarHBondContact O-N 3.39Å; K119-M122 HydrophobicContact CD-CE 3.65Å; K119-M122 HydrophobicContact CG-CE 4.11Å; K119-M122 PolarHBondContact O-N 2.9Å; M122-K125 PolarHBondContact O-N 3.43Å; M122-K126 PolarHBondContact O-N 2.92Å
123	S	98	Very high	96.2	Very high	7 Å²	7	69.6 Å²	69.6	5%	0.049	36%	0.36	C	S	.	.	H	α-helix	trans	-62.5	-41.7	175.2	-178.8	0	0	0	0	111.9	K119 A120 L121 K125 K126 Y127 P342 M343	K119-S123 WeakPolarHBondContact O-CB 3.45Å; K119-S123 PolarHBondContact O-N 3Å; A120-S123 WeakPolarHBondContact O-CB 3.37Å; A120-S123 PolarHBondContact O-N 3.2Å; L121-S123 VanDerWaalsContact C-N 3.33Å; S123-K125 VanDerWaalsContact C-N 3.3Å; S123-K125 PolarHBondContact O-N 2.79Å; S123-K126 PolarHBondContact O-N 3.04Å; S123-K126 VanDerWaalsContact O-N 3.15Å; S123-Y127 WeakPolarHBondContact O-CD2 3.24Å; S123-Y127 PolarHBondContact O-N 3.03Å; S123-Y127 WeakPolarHBondContact OG-CD2 3.3Å; S123-P342 PolarHBondContact OG-O 2.69Å; S123-M343 WeakPolarHBondContact OG-CA 3.35Å; S123-M343 PolarHBondContact OG-N 3.46Å
124	L	97.9	Very high	96.1	Very high	65 Å²	65	69 Å²	69	34%	0.34	36%	0.358	S	S	.	.	H	α-helix	trans	-58.2	-43	175.3	-178.5	69.4	0	0	0	111.5	A120 L121 G128 V129 M343	A120-L124 PolarHBondContact O-N 2.89Å; L121-L124 HydrophobicContact CD1-CD2 4.38Å; L121-L124 WeakPolarHBondContact O-CB 3.32Å; L121-L124 PolarHBondContact O-N 3.24Å; L124-G128 VanDerWaalsContact O-CA 3.28Å; L124-G128 WeakPolarHBondContact O-CA 3.22Å; L124-G128 PolarHBondContact O-N 3.4Å; L124-V129 HydrophobicContact CD1-CG2 4.08Å; L124-M343 HydrophobicContact CD1-SD 4.28Å
125	K	97.9	Very high	96	Very high	166 Å²	166	64.2 Å²	64.2	72%	0.722	34%	0.335	S	S	*	.	H	α-helix	trans	-66.1	-35.2	176.5	-69.9	175.5	-179	177.6	0	112.8	L121 M122 S123	L121-K125 WeakPolarHBondContact O-CG 3.49Å; L121-K125 PolarHBondContact O-N 3Å; L121-K125 VanDerWaalsContact O-N 3.1Å; M122-K125 PolarHBondContact O-N 3.43Å; S123-K125 VanDerWaalsContact C-N 3.3Å; S123-K125 PolarHBondContact O-N 2.79Å
126	K	97.9	Very high	95.4	Very high	138 Å²	138	62.6 Å²	62.6	60%	0.6	35%	0.347	S	S	*	.	H	α-helix	trans	-78.5	-45.7	-178.3	-178.2	176.7	172	-164.9	0	112.8	M122 S123 D142	M122-K126 PolarHBondContact O-N 2.92Å; S123-K126 PolarHBondContact O-N 3.04Å; S123-K126 VanDerWaalsContact O-N 3.15Å; K126-D142 IonicContact NZ-OD2 3.92Å; K126-D142 PolarHBondContact NZ-OD2 2.99Å; K126-D142 VanDerWaalsContact NZ-OD2 3.11Å
127	Y	96.9	Very high	95	Very high	50 Å²	50	70.2 Å²	70.2	20%	0.196	38%	0.38	C	S	.	.	H	α-helix	trans	-111.9	-14.8	-168	-59.7	-74.2	0	0	0	114.6	S123 F141 D142 V143 P342	S123-Y127 WeakPolarHBondContact O-CD2 3.24Å; S123-Y127 PolarHBondContact O-N 3.03Å; S123-Y127 WeakPolarHBondContact OG-CD2 3.3Å; Y127-F141 AromaticContact CD1-CD2 3.41Å; Y127-F141 HydrophobicContact CD1-CD2 3.41Å; Y127-F141 VanDerWaalsContact CD1-CD2 3.41Å; Y127-F141 AromaticContact CD1-CE2 3.94Å; Y127-F141 HydrophobicContact CD1-CE2 3.94Å; Y127-F141 HydrophobicContact CD1-CG 4.39Å; Y127-F141 HydrophobicContact CE1-CB 4.48Å; Y127-F141 HydrophobicContact CE1-CD2 4.08Å; Y127-F141 AromaticContact CG-CD2 3.96Å; Y127-F141 HydrophobicContact CG-CD2 3.96Å; Y127-F141 HydrophobicContact CG-CE2 4.35Å; Y127-D142 WeakPolarHBondContact CE1-OD1 3.36Å; Y127-D142 PolarHBondContact OH-OD1 3.39Å; Y127-D142 PolarHBondContact OH-OD2 2.86Å; Y127-V143 HydrophobicContact CE2-CB 4.28Å; Y127-V143 HydrophobicContact CE2-CG1 4.24Å; Y127-P342 HydrophobicContact CD2-CB 3.81Å; Y127-P342 HydrophobicContact CG-CB 3.87Å; Y127-P342 HydrophobicContact CG-CG 4.33Å
128	G	95.5	Very high	94.7	Very high	31 Å²	31	74.5 Å²	74.5	32%	0.32	40%	0.395	S	S	.	.			trans	81.5	-167	-169.7	0	0	0	0	0	113.3	L124	L124-G128 VanDerWaalsContact O-CA 3.28Å; L124-G128 WeakPolarHBondContact O-CA 3.22Å; L124-G128 PolarHBondContact O-N 3.4Å
129	V	94.9	Very high	94.5	Very high	112 Å²	112	69.1 Å²	69.1	68%	0.679	37%	0.37	S	S	*	.	S	Bend	trans	-73.4	-29.8	-167.4	179.7	0	0	0	0	113.3	L124	L124-V129 HydrophobicContact CD1-CG2 4.08Å
130	G	92.3	Very high	94.5	Very high	28 Å²	28	67.1 Å²	67.1	29%	0.289	37%	0.365	S	S	.	.			trans	-176	173.9	-175.6	0	0	0	0	0	112.3
131	T	91.3	Very high	94.5	Very high	14 Å²	14	68.6 Å²	68.6	9%	0.086	37%	0.368	C	S	.	.			trans	-91	-22.4	-176.6	58.2	0	0	0	0	114	G133 F141 S339 P342	T131-G133 PolarHBondContact O-N 2.86Å; T131-F141 HydrophobicContact CG2-CD1 3.95Å; T131-F141 HydrophobicContact CG2-CD2 4.16Å; T131-F141 HydrophobicContact CG2-CE1 3.82Å; T131-F141 HydrophobicContact CG2-CE2 4.06Å; T131-F141 HydrophobicContact CG2-CG 4.12Å; T131-F141 HydrophobicContact CG2-CZ 3.89Å; T131-S339 VanDerWaalsContact CB-OG 3.28Å; T131-S339 WeakPolarHBondContact CB-OG 3.35Å; T131-S339 VanDerWaalsContact CG2-OG 3.29Å; T131-S339 WeakPolarHBondContact CG2-OG 3.48Å; T131-S339 PolarHBondContact OG1-OG 2.95Å; T131-P342 HydrophobicContact CG2-CG 3.84Å
132	C	90.6	Very high	94.5	Very high	111 Å²	111	68.3 Å²	68.3	75%	0.75	37%	0.366	S	S	*	.			trans	53.5	22.9	-177.5	-59.7	0	0	0	0	114.8
133	G	92.8	Very high	94.5	Very high	2 Å²	2	63.9 Å²	63.9	2%	0.021	35%	0.345	C	S	.	.	S	Bend	trans	-155.3	157.8	-177	0	0	0	0	0	113.5	T131 G139 A338 S339	T131-G133 PolarHBondContact O-N 2.86Å; G133-G139 WeakPolarHBondContact O-CA 3.5Å; G133-A338 WeakPolarHBondContact O-CA 3.46Å; G133-S339 PolarHBondContact O-N 3.31Å; G133-S339 PolarHBondContact O-OG 2.84Å
134	P	93.8	Very high	94.5	Very high	25 Å²	25	63.6 Å²	63.6	16%	0.162	34%	0.343	C	S	.	.			trans	-74.8	157.5	177.5	31.4	-35.3	0	0	0	112.1	G136 F137 G139 C335 S337	P134-G136 VanDerWaalsContact C-N 3.27Å; P134-G136 PolarHBondContact O-N 3.42Å; P134-F137 HydrophobicContact CG-CB 4.22Å; P134-F137 HydrophobicContact CG-CD2 3.88Å; P134-F137 HydrophobicContact CG-CG 4.44Å; P134-F137 PolarHBondContact O-N 3.24Å; P134-G139 VanDerWaalsContact O-CA 3.27Å; P134-G139 WeakPolarHBondContact O-CA 3.48Å; P134-G139 PolarHBondContact O-N 3.22Å; P134-C335 VanDerWaalsContact CB-O 3.32Å; P134-C335 WeakPolarHBondContact CB-O 3.43Å; P134-S337 WeakPolarHBondContact CA-O 3.5Å; P134-S337 VanDerWaalsContact CB-O 3.27Å; P134-S337 WeakPolarHBondContact CB-O 3.41Å
135	R	94	Very high	94.5	Very high	12 Å²	12	64.8 Å²	64.8	5%	0.045	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-32.3	-178.7	-70.7	-67.8	-56.8	-73.8	0.5	113.5	F137 T140 E148 Y334 S339	R135-F137 VanDerWaalsContact C-N 3.25Å; R135-F137 PolarHBondContact O-N 3.03Å; R135-T140 WeakPolarHBondContact CA-OG1 3.4Å; R135-T140 WeakPolarHBondContact CD-OG1 3.37Å; R135-T140 PolarHBondContact NE-OG1 3.32Å; R135-T140 PolarHBondContact O-OG1 3.08Å; R135-E148 IonicContact CZ-OE1 3.1Å; R135-E148 VanDerWaalsContact CZ-OE1 3.28Å; R135-E148 IonicContact NH1-OE1 3.7Å; R135-E148 PolarHBondContact NH1-OE1 3.28Å; R135-E148 VanDerWaalsContact NH2-CD 3.28Å; R135-E148 IonicContact NH2-OE1 3.33Å; R135-E148 PolarHBondContact NH2-OE1 3.17Å; R135-E148 IonicContact NH2-OE2 2.62Å; R135-E148 PolarHBondContact NH2-OE2 3.42Å; R135-Y334 HydrophobicContact CB-CD1 4.35Å; R135-Y334 HydrophobicContact CB-CD2 4.23Å; R135-Y334 HydrophobicContact CB-CE1 3.72Å; R135-Y334 HydrophobicContact CB-CE2 3.59Å; R135-Y334 WeakPolarHBondContact CB-OH 3.49Å; R135-Y334 HydrophobicContact CG-CD2 4.19Å; R135-Y334 HydrophobicContact CG-CE2 3.64Å; R135-S339 VanDerWaalsContact CD-CB 3.4Å
136	G	86.8	Confident	94.6	Very high	57 Å²	57	61.5 Å²	61.5	59%	0.588	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-3.7	-179.7	0	0	0	0	0	115.7	P134	P134-G136 VanDerWaalsContact C-N 3.27Å; P134-G136 PolarHBondContact O-N 3.42Å
137	F	87.3	Confident	94.6	Very high	167 Å²	167	54.9 Å²	54.9	73%	0.732	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.2	-109.6	178.6	-72.4	-97.4	0	0	0	110.1	P134 R135	P134-F137 HydrophobicContact CG-CB 4.22Å; P134-F137 HydrophobicContact CG-CD2 3.88Å; P134-F137 HydrophobicContact CG-CG 4.44Å; P134-F137 PolarHBondContact O-N 3.24Å; R135-F137 VanDerWaalsContact C-N 3.25Å; R135-F137 PolarHBondContact O-N 3.03Å
138	Y	90.4	Very high	94.7	Very high	162 Å²	162	52.9 Å²	52.9	64%	0.635	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.1	8.5	-175.8	54.4	-95.4	0	0	0	113.6
139	G	95.6	Very high	94.8	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	31%	0.305	C	S	.	.			trans	-91.1	4.6	-177.1	0	0	0	0	0	115.8	G133 P134 H144 S339	G133-G139 WeakPolarHBondContact O-CA 3.5Å; P134-G139 VanDerWaalsContact O-CA 3.27Å; P134-G139 WeakPolarHBondContact O-CA 3.48Å; P134-G139 PolarHBondContact O-N 3.22Å; G139-H144 PolarHBondContact O-CE1 3.36Å; G139-H144 PolarHBondContact O-ND1 3Å; G139-S339 VanDerWaalsContact O-CB 3.29Å; G139-S339 WeakPolarHBondContact O-CB 3.46Å; G139-S339 PolarHBondContact O-OG 2.84Å
140	T	97.1	Very high	95	Very high	50 Å²	50	51.3 Å²	51.3	31%	0.307	28%	0.278	S	S	.	.			trans	-96.9	113.3	-179.7	-66.5	0	0	0	0	110.7	R135 L145	R135-T140 WeakPolarHBondContact CA-OG1 3.4Å; R135-T140 WeakPolarHBondContact CD-OG1 3.37Å; R135-T140 PolarHBondContact NE-OG1 3.32Å; R135-T140 PolarHBondContact O-OG1 3.08Å; T140-L145 HydrophobicContact CG2-CD1 4.39Å; T140-L145 HydrophobicContact CG2-CD2 3.85Å; T140-L145 HydrophobicContact CG2-CG 4.03Å
141	F	97.5	Very high	95.3	Very high	55 Å²	55	50 Å²	50	24%	0.241	26%	0.264	C	S	.	.			trans	-103.3	158.9	174.1	-70.7	17.4	0	0	0	108.9	Y127 T131 V143 H144 P342	Y127-F141 AromaticContact CD1-CD2 3.41Å; Y127-F141 HydrophobicContact CD1-CD2 3.41Å; Y127-F141 VanDerWaalsContact CD1-CD2 3.41Å; Y127-F141 AromaticContact CD1-CE2 3.94Å; Y127-F141 HydrophobicContact CD1-CE2 3.94Å; Y127-F141 HydrophobicContact CD1-CG 4.39Å; Y127-F141 HydrophobicContact CE1-CB 4.48Å; Y127-F141 HydrophobicContact CE1-CD2 4.08Å; Y127-F141 AromaticContact CG-CD2 3.96Å; Y127-F141 HydrophobicContact CG-CD2 3.96Å; Y127-F141 HydrophobicContact CG-CE2 4.35Å; T131-F141 HydrophobicContact CG2-CD1 3.95Å; T131-F141 HydrophobicContact CG2-CD2 4.16Å; T131-F141 HydrophobicContact CG2-CE1 3.82Å; T131-F141 HydrophobicContact CG2-CE2 4.06Å; T131-F141 HydrophobicContact CG2-CG 4.12Å; T131-F141 HydrophobicContact CG2-CZ 3.89Å; F141-V143 HydrophobicContact CB-CG1 4.32Å; F141-V143 PolarHBondContact O-N 2.96Å; F141-H144 PolarHBondContact N-ND1 3.17Å; F141-H144 WeakPolarHBondContact O-CB 3.16Å; F141-H144 PolarHBondContact O-N 3.19Å; F141-P342 HydrophobicContact CD2-CB 4.34Å; F141-P342 HydrophobicContact CD2-CG 3.52Å; F141-P342 HydrophobicContact CE2-CG 3.89Å; F141-P342 HydrophobicContact CG-CG 4.34Å
142	D	97.7	Very high	95.7	Very high	84 Å²	84	49.6 Å²	49.6	45%	0.449	26%	0.263	S	S	.	.	H	α-helix	trans	-50.5	-41.6	177.5	56.3	-16.1	0	0	0	112.7	K126 Y127 H144 L145 E146	K126-D142 IonicContact NZ-OD2 3.92Å; K126-D142 PolarHBondContact NZ-OD2 2.99Å; K126-D142 VanDerWaalsContact NZ-OD2 3.11Å; Y127-D142 WeakPolarHBondContact CE1-OD1 3.36Å; Y127-D142 PolarHBondContact OH-OD1 3.39Å; Y127-D142 PolarHBondContact OH-OD2 2.86Å; D142-H144 PolarHBondContact O-N 2.93Å; D142-L145 PolarHBondContact O-N 2.95Å; D142-L145 VanDerWaalsContact O-N 3.11Å; D142-E146 PolarHBondContact O-N 3.39Å
143	V	98.3	Very high	96	Very high	6 Å²	6	50.3 Å²	50.3	4%	0.036	25%	0.253	C	S	.	.	H	α-helix	trans	-62.3	-26.5	178	70.8	0	0	0	0	113.7	Y127 F141 L147 P342 A345 A346 I349	Y127-V143 HydrophobicContact CE2-CB 4.28Å; Y127-V143 HydrophobicContact CE2-CG1 4.24Å; F141-V143 HydrophobicContact CB-CG1 4.32Å; F141-V143 PolarHBondContact O-N 2.96Å; V143-L147 WeakPolarHBondContact O-CB 3.48Å; V143-L147 PolarHBondContact O-N 2.58Å; V143-P342 HydrophobicContact CG1-CB 3.8Å; V143-A345 HydrophobicContact CG1-CB 4.16Å; V143-A345 HydrophobicContact CG2-CB 4.03Å; V143-A346 HydrophobicContact CG2-CB 4.23Å; V143-I349 HydrophobicContact CG2-CD1 3.73Å
144	H	98.5	Very high	96.3	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-71.1	-40.9	175.1	-59.3	152.8	0	0	0	111.5	G139 F141 D142 E146 L147 E148 I162 L340	G139-H144 PolarHBondContact O-CE1 3.36Å; G139-H144 PolarHBondContact O-ND1 3Å; F141-H144 PolarHBondContact N-ND1 3.17Å; F141-H144 WeakPolarHBondContact O-CB 3.16Å; F141-H144 PolarHBondContact O-N 3.19Å; D142-H144 PolarHBondContact O-N 2.93Å; H144-E146 VanDerWaalsContact C-N 3.33Å; H144-L147 PolarHBondContact O-N 2.54Å; H144-E148 WeakPolarHBondContact O-CG 3.3Å; H144-E148 PolarHBondContact O-N 3.2Å; H144-I162 HydrophobicContact CB-CD1 4.04Å; H144-L340 PolarHBondContact CE1-O 2.88Å; H144-L340 PolarHBondContact NE2-O 3.49Å
145	L	98.3	Very high	96.5	Very high	91 Å²	91	49.4 Å²	49.4	48%	0.476	25%	0.246	S	C	.	.	H	α-helix	trans	-69.1	-36.8	177	-57.1	179.4	0	0	0	110.6	T140 D142 N149	T140-L145 HydrophobicContact CG2-CD1 4.39Å; T140-L145 HydrophobicContact CG2-CD2 3.85Å; T140-L145 HydrophobicContact CG2-CG 4.03Å; D142-L145 PolarHBondContact O-N 2.95Å; D142-L145 VanDerWaalsContact O-N 3.11Å; L145-N149 WeakPolarHBondContact O-CB 3.45Å; L145-N149 PolarHBondContact O-N 3.39Å
146	E	98.7	Very high	96.7	Very high	96 Å²	96	55.9 Å²	55.9	45%	0.449	28%	0.275	S	S	.	.	H	α-helix	trans	-60.6	-48.7	171.9	-171.9	-178.3	163.9	0	0	111.2	D142 H144 E148 N149 R150 I349	D142-E146 PolarHBondContact O-N 3.39Å; H144-E146 VanDerWaalsContact C-N 3.33Å; E146-E148 PolarHBondContact O-N 3.18Å; E146-N149 PolarHBondContact O-N 3.03Å; E146-R150 HydrophobicContact CG-CG 4.38Å; E146-R150 WeakPolarHBondContact O-CB 3.31Å; E146-R150 VanDerWaalsContact O-CG 3.26Å; E146-R150 WeakPolarHBondContact O-CG 3.32Å; E146-R150 PolarHBondContact O-N 3.47Å; E146-I349 HydrophobicContact CB-CD1 3.99Å; E146-I349 HydrophobicContact CG-CD1 3.83Å
147	L	98.8	Very high	97.2	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-61	-45	178.1	176.5	59.1	0	0	0	112.1	V143 H144 N149 R150 L151 I162 M306 L340 A345 A348 I349 L352	V143-L147 WeakPolarHBondContact O-CB 3.48Å; V143-L147 PolarHBondContact O-N 2.58Å; H144-L147 PolarHBondContact O-N 2.54Å; L147-N149 VanDerWaalsContact C-N 3.34Å; L147-N149 PolarHBondContact O-N 3.42Å; L147-R150 PolarHBondContact O-N 2.95Å; L147-L151 HydrophobicContact CD1-CD1 3.86Å; L147-L151 HydrophobicContact CD1-CG 3.91Å; L147-L151 HydrophobicContact CG-CD1 3.83Å; L147-L151 HydrophobicContact CG-CG 4.36Å; L147-L151 WeakPolarHBondContact O-CB 3.49Å; L147-L151 WeakPolarHBondContact O-CG 3.24Å; L147-L151 PolarHBondContact O-N 3.42Å; L147-I162 HydrophobicContact CD2-CD1 3.97Å; L147-I162 HydrophobicContact CD2-CG2 4.1Å; L147-I162 HydrophobicContact CG-CG2 4.17Å; L147-M306 HydrophobicContact CD2-CE 4.39Å; L147-M306 HydrophobicContact CD2-SD 4.05Å; L147-L340 HydrophobicContact CD2-CD2 4.17Å; L147-A345 HydrophobicContact CB-CB 4.48Å; L147-A345 HydrophobicContact CD2-CB 3.94Å; L147-A348 HydrophobicContact CD1-CB 3.78Å; L147-A348 HydrophobicContact CD2-CB 4.03Å; L147-I349 HydrophobicContact CB-CD1 4Å; L147-I349 HydrophobicContact CB-CG1 3.88Å; L147-I349 HydrophobicContact CD1-CG1 3.88Å; L147-I349 HydrophobicContact CG-CG1 4.44Å; L147-L352 HydrophobicContact CD1-CD1 4.12Å
148	E	98.7	Very high	97.7	Very high	8 Å²	8	51.8 Å²	51.8	4%	0.037	24%	0.244	C	C	.	.	H	α-helix	trans	-57.7	-46.2	175.7	-76.4	176.3	168.6	0	0	111.5	R135 H144 E146 R150 L151 A152 A160 I162 R328	R135-E148 IonicContact CZ-OE1 3.1Å; R135-E148 VanDerWaalsContact CZ-OE1 3.28Å; R135-E148 IonicContact NH1-OE1 3.7Å; R135-E148 PolarHBondContact NH1-OE1 3.28Å; R135-E148 VanDerWaalsContact NH2-CD 3.28Å; R135-E148 IonicContact NH2-OE1 3.33Å; R135-E148 PolarHBondContact NH2-OE1 3.17Å; R135-E148 IonicContact NH2-OE2 2.62Å; R135-E148 PolarHBondContact NH2-OE2 3.42Å; H144-E148 WeakPolarHBondContact O-CG 3.3Å; H144-E148 PolarHBondContact O-N 3.2Å; E146-E148 PolarHBondContact O-N 3.18Å; E148-R150 PolarHBondContact O-N 2.91Å; E148-L151 PolarHBondContact O-N 2.67Å; E148-A152 WeakPolarHBondContact O-CB 3.4Å; E148-A152 PolarHBondContact O-N 3.1Å; E148-A160 WeakPolarHBondContact CB-O 3.16Å; E148-A160 WeakPolarHBondContact CG-O 3.39Å; E148-A160 WeakPolarHBondContact O-CB 3.5Å; E148-I162 HydrophobicContact CG-CB 4.47Å; E148-I162 HydrophobicContact CG-CG1 4.09Å; E148-I162 HydrophobicContact CG-CG2 3.91Å; E148-I162 PolarHBondContact OE1-N 2.92Å; E148-R328 VanDerWaalsContact CD-NH2 3.34Å; E148-R328 IonicContact OE1-CZ 3.26Å; E148-R328 IonicContact OE1-NH1 2.69Å; E148-R328 PolarHBondContact OE1-NH1 3.16Å; E148-R328 IonicContact OE1-NH2 3.82Å; E148-R328 IonicContact OE2-CZ 2.68Å; E148-R328 IonicContact OE2-NH1 3.35Å; E148-R328 PolarHBondContact OE2-NH1 2.8Å; E148-R328 VanDerWaalsContact OE2-NH1 3.1Å; E148-R328 IonicContact OE2-NH2 2.91Å; E148-R328 PolarHBondContact OE2-NH2 2.61Å
149	N	98.8	Very high	98.1	Very high	78 Å²	78	46.6 Å²	46.6	42%	0.417	23%	0.226	S	C	.	.	H	α-helix	trans	-63.5	-39.1	176	176.8	56.9	0	0	0	112.5	L145 E146 L147 K153	L145-N149 WeakPolarHBondContact O-CB 3.45Å; L145-N149 PolarHBondContact O-N 3.39Å; E146-N149 PolarHBondContact O-N 3.03Å; L147-N149 VanDerWaalsContact C-N 3.34Å; L147-N149 PolarHBondContact O-N 3.42Å; N149-K153 PolarHBondContact ND2-NZ 3.12Å; N149-K153 WeakPolarHBondContact O-CB 3.48Å; N149-K153 VanDerWaalsContact O-CG 3.28Å; N149-K153 WeakPolarHBondContact O-CG 3.43Å; N149-K153 PolarHBondContact O-N 3.01Å; N149-K153 WeakPolarHBondContact OD1-CE 3.16Å
150	R	98.6	Very high	98.2	Very high	31 Å²	31	46.7 Å²	46.7	12%	0.117	23%	0.226	C	C	.	.	H	α-helix	trans	-66.8	-42.7	177.4	-73.4	-62.3	-54.8	-72.4	-0.2	112.1	E146 L147 E148 K153 F154 L352 N353 E356	E146-R150 HydrophobicContact CG-CG 4.38Å; E146-R150 WeakPolarHBondContact O-CB 3.31Å; E146-R150 VanDerWaalsContact O-CG 3.26Å; E146-R150 WeakPolarHBondContact O-CG 3.32Å; E146-R150 PolarHBondContact O-N 3.47Å; L147-R150 PolarHBondContact O-N 2.95Å; E148-R150 PolarHBondContact O-N 2.91Å; R150-K153 PolarHBondContact O-N 3.47Å; R150-F154 WeakPolarHBondContact O-CB 3.22Å; R150-F154 PolarHBondContact O-N 3.25Å; R150-L352 HydrophobicContact CB-CD1 3.98Å; R150-N353 PolarHBondContact NH1-OD1 3.24Å; R150-N353 PolarHBondContact NH2-OD1 2.85Å; R150-E356 IonicContact CZ-OE2 2.96Å; R150-E356 IonicContact NE-OE2 3.91Å; R150-E356 IonicContact NH2-OE2 2.7Å; R150-E356 PolarHBondContact NH2-OE2 2.97Å
151	L	98.6	Very high	98.3	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-63.1	-45.9	175.3	-72.7	165.4	0	0	0	111.6	L147 E148 K153 F154 M155 A160 I162 M306 F316 L352	L147-L151 HydrophobicContact CD1-CD1 3.86Å; L147-L151 HydrophobicContact CD1-CG 3.91Å; L147-L151 HydrophobicContact CG-CD1 3.83Å; L147-L151 HydrophobicContact CG-CG 4.36Å; L147-L151 WeakPolarHBondContact O-CB 3.49Å; L147-L151 WeakPolarHBondContact O-CG 3.24Å; L147-L151 PolarHBondContact O-N 3.42Å; E148-L151 PolarHBondContact O-N 2.67Å; L151-K153 PolarHBondContact O-N 3.01Å; L151-F154 PolarHBondContact O-N 3.47Å; L151-M155 WeakPolarHBondContact O-CB 3.46Å; L151-M155 WeakPolarHBondContact O-CG 3.16Å; L151-M155 PolarHBondContact O-N 3.18Å; L151-A160 HydrophobicContact CB-CB 3.92Å; L151-I162 HydrophobicContact CD1-CG2 3.55Å; L151-M306 HydrophobicContact CD1-SD 4.32Å; L151-F316 HydrophobicContact CD1-CB 3.74Å; L151-F316 HydrophobicContact CD1-CD1 4.05Å; L151-F316 HydrophobicContact CD1-CD2 4.42Å; L151-F316 HydrophobicContact CD1-CG 3.83Å; L151-F316 HydrophobicContact CD2-CD1 3.76Å; L151-F316 HydrophobicContact CD2-CD2 4.4Å; L151-F316 HydrophobicContact CD2-CE1 3.71Å; L151-F316 HydrophobicContact CD2-CE2 4.37Å; L151-F316 HydrophobicContact CD2-CG 4.11Å; L151-F316 HydrophobicContact CD2-CZ 4.03Å; L151-F316 HydrophobicContact CG-CG 4.45Å; L151-L352 HydrophobicContact CD2-CD1 3.85Å; L151-L352 HydrophobicContact CD2-CD2 4.4Å; L151-L352 HydrophobicContact CG-CD1 4.1Å
152	A	98.5	Very high	98.3	Very high	6 Å²	6	41.9 Å²	41.9	5%	0.05	20%	0.201	C	C	.	.	H	α-helix	trans	-59.7	-45.7	177	0	0	0	0	0	111.8	E148 M155 K156 T157 A160	E148-A152 WeakPolarHBondContact O-CB 3.4Å; E148-A152 PolarHBondContact O-N 3.1Å; A152-M155 PolarHBondContact O-N 3.21Å; A152-K156 WeakPolarHBondContact O-CA 3.17Å; A152-K156 PolarHBondContact O-N 3.15Å; A152-T157 PolarHBondContact O-N 3.08Å; A152-A160 HydrophobicContact CB-CB 4.18Å
153	K	98.3	Very high	98.2	Very high	126 Å²	126	38 Å²	38	55%	0.548	18%	0.18	S	C	.	.	H	α-helix	trans	-62.2	-45.7	175.5	-75.4	176.2	179.2	-178.3	0	112.6	N149 R150 L151 M155 K156	N149-K153 PolarHBondContact ND2-NZ 3.12Å; N149-K153 WeakPolarHBondContact O-CB 3.48Å; N149-K153 VanDerWaalsContact O-CG 3.28Å; N149-K153 WeakPolarHBondContact O-CG 3.43Å; N149-K153 PolarHBondContact O-N 3.01Å; N149-K153 WeakPolarHBondContact OD1-CE 3.16Å; R150-K153 PolarHBondContact O-N 3.47Å; L151-K153 PolarHBondContact O-N 3.01Å; K153-M155 VanDerWaalsContact C-N 3.35Å; K153-M155 PolarHBondContact O-N 3.27Å; K153-K156 PolarHBondContact O-N 2.73Å
154	F	98.3	Very high	98.1	Very high	7 Å²	7	39 Å²	39	3%	0.031	19%	0.187	C	C	.	.	H	α-helix	trans	-60.3	-47.3	178.7	-174.3	-90.2	0	0	0	110.7	R150 L151 K156 F278 H284 K286 L352 M355 E356	R150-F154 WeakPolarHBondContact O-CB 3.22Å; R150-F154 PolarHBondContact O-N 3.25Å; L151-F154 PolarHBondContact O-N 3.47Å; F154-K156 VanDerWaalsContact C-N 3.27Å; F154-K156 PolarHBondContact O-N 3.2Å; F154-F278 AromaticContact CD1-CE2 3.68Å; F154-F278 HydrophobicContact CD1-CE2 3.68Å; F154-F278 AromaticContact CD1-CZ 3.83Å; F154-F278 HydrophobicContact CD1-CZ 3.83Å; F154-F278 AromaticContact CE1-CE2 3.47Å; F154-F278 HydrophobicContact CE1-CE2 3.47Å; F154-F278 VanDerWaalsContact CE1-CE2 3.47Å; F154-F278 AromaticContact CE1-CZ 3.64Å; F154-F278 HydrophobicContact CE1-CZ 3.64Å; F154-H284 WeakPolarHBondContact CZ-O 3.4Å; F154-K286 HydrophobicContact CD1-CG 4.39Å; F154-K286 HydrophobicContact CE1-CG 3.98Å; F154-K286 WeakPolarHBondContact O-CD 3.32Å; F154-K286 WeakPolarHBondContact O-CE 3.31Å; F154-K286 PolarHBondContact O-NZ 2.97Å; F154-L352 HydrophobicContact CB-CD2 4.45Å; F154-L352 HydrophobicContact CD1-CD2 4.4Å; F154-L352 HydrophobicContact CD2-CD2 4.11Å; F154-L352 HydrophobicContact CE2-CD2 4.46Å; F154-L352 HydrophobicContact CG-CD2 4.06Å; F154-M355 HydrophobicContact CE2-CB 4.08Å; F154-M355 HydrophobicContact CZ-CB 4.47Å; F154-M355 HydrophobicContact CZ-SD 4.29Å; F154-E356 HydrophobicContact CD2-CG 3.85Å; F154-E356 HydrophobicContact CE2-CG 4.03Å
155	M	98.1	Very high	97.9	Very high	2 Å²	2	44.7 Å²	44.7	1%	0.01	21%	0.21	C	C	.	.	H	α-helix	trans	-71.9	-19.5	178.5	-67.4	-59.1	-66.6	0	0	113.3	L151 A152 K153 T157 F278 K286 I296 I302 F316	L151-M155 WeakPolarHBondContact O-CB 3.46Å; L151-M155 WeakPolarHBondContact O-CG 3.16Å; L151-M155 PolarHBondContact O-N 3.18Å; A152-M155 PolarHBondContact O-N 3.21Å; K153-M155 VanDerWaalsContact C-N 3.35Å; K153-M155 PolarHBondContact O-N 3.27Å; M155-T157 HydrophobicContact CB-CG2 4.05Å; M155-F278 HydrophobicContact SD-CD2 3.83Å; M155-F278 HydrophobicContact SD-CE2 3.46Å; M155-F278 WeakPolarHBondContact SD-CE2 3.34Å; M155-K286 HydrophobicContact SD-CB 4.36Å; M155-I296 HydrophobicContact CB-CD1 4.3Å; M155-I296 HydrophobicContact CE-CD1 4.26Å; M155-I296 WeakPolarHBondContact O-CD1 3.3Å; M155-I302 HydrophobicContact CE-CD1 4.38Å; M155-I302 HydrophobicContact CE-CG2 4Å; M155-F316 HydrophobicContact CG-CE2 4.05Å; M155-F316 HydrophobicContact CG-CZ 4.41Å
156	K	97.2	Very high	97.8	Very high	148 Å²	148	40.4 Å²	40.4	64%	0.643	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.1	43.7	-169.4	-58.2	173.1	170.6	174.4	0	112.3	A152 K153 F154 K286	A152-K156 WeakPolarHBondContact O-CA 3.17Å; A152-K156 PolarHBondContact O-N 3.15Å; K153-K156 PolarHBondContact O-N 2.73Å; F154-K156 VanDerWaalsContact C-N 3.27Å; F154-K156 PolarHBondContact O-N 3.2Å; K156-K286 VanDerWaalsContact CE-NZ 3.32Å
157	T	98.1	Very high	97.6	Very high	23 Å²	23	38.6 Å²	38.6	14%	0.141	18%	0.178	C	C	.	.			trans	-112.3	167.7	172.9	60.9	0	0	0	0	111	A152 M155 E159 I296 C318	A152-T157 PolarHBondContact O-N 3.08Å; M155-T157 HydrophobicContact CB-CG2 4.05Å; T157-E159 PolarHBondContact OG1-O 3.3Å; T157-I296 HydrophobicContact CG2-CD1 3.44Å; T157-I296 VanDerWaalsContact CG2-CD1 3.44Å; T157-I296 HydrophobicContact CG2-CG1 4.04Å; T157-C318 HydrophobicContact CG2-CB 4.26Å; T157-C318 WeakPolarHBondContact OG1-CB 3.49Å
158	E	98.1	Very high	97.5	Very high	115 Å²	115	39.6 Å²	39.6	54%	0.537	19%	0.187	S	C	.	.	S	Bend	trans	-65.9	-48.3	178.2	-61.5	177.2	175.5	0	0	111.3	G319 R320 S321	E158-G319 PolarHBondContact N-O 2.94Å; E158-R320 WeakPolarHBondContact OE2-CA 3.2Å; E158-R320 WeakPolarHBondContact OE2-CB 3.33Å; E158-S321 PolarHBondContact OE2-N 3.14Å
159	E	98.1	Very high	97.4	Very high	53 Å²	53	39.2 Å²	39.2	25%	0.248	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	164.2	-176.6	-79.5	-171.8	-142.4	0	0	113.3	T157 C318 G319 S321 I324	T157-E159 PolarHBondContact OG1-O 3.3Å; E159-C318 VanDerWaalsContact O-CA 3.31Å; E159-C318 WeakPolarHBondContact O-CA 3.21Å; E159-C318 WeakPolarHBondContact O-CB 3.22Å; E159-G319 PolarHBondContact N-O 3.49Å; E159-G319 VanDerWaalsContact N-O 3.07Å; E159-G319 PolarHBondContact O-N 3.47Å; E159-G319 VanDerWaalsContact O-N 3.09Å; E159-S321 VanDerWaalsContact CD-OG 3.31Å; E159-S321 WeakPolarHBondContact CG-OG 3.44Å; E159-S321 VanDerWaalsContact OE1-CB 3.23Å; E159-S321 WeakPolarHBondContact OE1-CB 3.2Å; E159-S321 PolarHBondContact OE1-OG 3.22Å; E159-I324 HydrophobicContact CB-CB 4.01Å; E159-I324 HydrophobicContact CB-CG1 3.91Å; E159-I324 HydrophobicContact CB-CG2 4.11Å
160	A	98.5	Very high	97.4	Very high	2 Å²	2	35.6 Å²	35.6	2%	0.017	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	155.4	169.3	0	0	0	0	0	111.5	E148 L151 A152 C317 C318 R328	E148-A160 WeakPolarHBondContact CB-O 3.16Å; E148-A160 WeakPolarHBondContact CG-O 3.39Å; E148-A160 WeakPolarHBondContact O-CB 3.5Å; L151-A160 HydrophobicContact CB-CB 3.92Å; A152-A160 HydrophobicContact CB-CB 4.18Å; A160-C317 CarbonylContact C-O 3.58Å; A160-C317 WeakPolarHBondContact CA-O 3.48Å; A160-C317 WeakPolarHBondContact CB-O 3.44Å; A160-C318 HydrophobicContact CB-CB 3.94Å; A160-R328 PolarHBondContact O-NH2 3.49Å; A160-R328 VanDerWaalsContact O-NH2 3.1Å
161	I	98	Very high	97.3	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	135	175.4	-176.5	178.4	0	0	0	109.2	Y163 F316 C317 I324 Q327 R328 Y334	I161-Y163 HydrophobicContact CG2-CE2 4.33Å; I161-F316 CarbonylContact O-C 3.58Å; I161-F316 WeakPolarHBondContact O-CA 3.45Å; I161-F316 WeakPolarHBondContact O-CB 3.49Å; I161-C317 HydrophobicContact CG2-CB 3.79Å; I161-C317 PolarHBondContact N-O 3.07Å; I161-C317 PolarHBondContact O-N 3.09Å; I161-I324 HydrophobicContact CB-CG2 3.75Å; I161-I324 HydrophobicContact CG2-CD1 4.06Å; I161-I324 HydrophobicContact CG2-CG2 4.02Å; I161-Q327 HydrophobicContact CD1-CB 4.07Å; I161-Q327 HydrophobicContact CD1-CG 4.14Å; I161-Q327 HydrophobicContact CG2-CG 4.46Å; I161-R328 HydrophobicContact CD1-CB 4.32Å; I161-R328 HydrophobicContact CD1-CG 3.57Å; I161-R328 HydrophobicContact CG1-CG 4.24Å; I161-Y334 HydrophobicContact CD1-CD1 4.26Å; I161-Y334 HydrophobicContact CD1-CD2 3.5Å; I161-Y334 HydrophobicContact CD1-CE1 4.4Å; I161-Y334 HydrophobicContact CD1-CE2 3.65Å; I161-Y334 HydrophobicContact CD1-CG 3.82Å; I161-Y334 HydrophobicContact CG1-CD2 3.57Å; I161-Y334 HydrophobicContact CG1-CE2 3.43Å; I161-Y334 VanDerWaalsContact CG1-CE2 3.43Å; I161-Y334 HydrophobicContact CG1-CG 4.39Å
162	I	97.8	Very high	97.2	Very high	4 Å²	4	35.6 Å²	35.6	2%	0.021	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	144.7	179.8	62.4	173.6	0	0	0	112.8	H144 L147 E148 L151 M306 G315 F316 Y334 L340	H144-I162 HydrophobicContact CB-CD1 4.04Å; L147-I162 HydrophobicContact CD2-CD1 3.97Å; L147-I162 HydrophobicContact CD2-CG2 4.1Å; L147-I162 HydrophobicContact CG-CG2 4.17Å; E148-I162 HydrophobicContact CG-CB 4.47Å; E148-I162 HydrophobicContact CG-CG1 4.09Å; E148-I162 HydrophobicContact CG-CG2 3.91Å; E148-I162 PolarHBondContact OE1-N 2.92Å; L151-I162 HydrophobicContact CD1-CG2 3.55Å; I162-M306 HydrophobicContact CG2-CE 4.46Å; I162-G315 CarbonylContact C-O 3.13Å; I162-G315 WeakPolarHBondContact CA-O 3.41Å; I162-F316 HydrophobicContact CG2-CB 4.13Å; I162-Y334 WeakPolarHBondContact O-CD2 3.41Å; I162-L340 HydrophobicContact CD1-CD2 4.43Å
163	Y	97.1	Very high	97.2	Very high	2 Å²	2	35.3 Å²	35.3	1%	0.008	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	146.6	172.9	-72.6	-99.4	0	0	0	109.9	I161 Y165 T169 G314 G315 Q327	I161-Y163 HydrophobicContact CG2-CE2 4.33Å; Y163-Y165 VanDerWaalsContact C-N 3.31Å; Y163-Y165 PolarHBondContact O-N 3.02Å; Y163-T169 HydrophobicContact CD2-CG2 3.73Å; Y163-T169 HydrophobicContact CE2-CG2 4.09Å; Y163-T169 HydrophobicContact CG-CG2 4.33Å; Y163-G314 WeakPolarHBondContact O-CA 3.29Å; Y163-G315 PolarHBondContact N-O 3Å; Y163-G315 PolarHBondContact O-N 2.75Å; Y163-G315 VanDerWaalsContact O-N 3.14Å; Y163-Q327 WeakPolarHBondContact OH-CG 3.49Å; Y163-Q327 PolarHBondContact OH-NE2 3.44Å
164	S	94.8	Very high	97.2	Very high	26 Å²	26	29.3 Å²	29.3	18%	0.182	14%	0.142	C	C	.	.	S	Bend	trans	-75.4	-16.7	-179.7	46.2	0	0	0	0	114.5	S337 A338	S164-S337 PolarHBondContact OG-OG 3.04Å; S164-A338 VanDerWaalsContact CB-O 3.26Å; S164-A338 WeakPolarHBondContact CB-O 3.2Å; S164-A338 PolarHBondContact OG-O 3.29Å
165	Y	95.1	Very high	97.1	Very high	121 Å²	121	30 Å²	30	48%	0.475	15%	0.147	S	C	.	.	S	Bend	trans	-137.1	125.7	178.6	178.9	-151.2	0	0	0	110.3	Y163 F167 A168 T169	Y163-Y165 VanDerWaalsContact C-N 3.31Å; Y163-Y165 PolarHBondContact O-N 3.02Å; Y165-F167 HydrophobicContact CD1-CB 4.02Å; Y165-F167 HydrophobicContact CD2-CB 4.29Å; Y165-F167 HydrophobicContact CE1-CB 3.5Å; Y165-F167 VanDerWaalsContact CE1-CB 3.5Å; Y165-F167 HydrophobicContact CE1-CD1 4.07Å; Y165-F167 HydrophobicContact CE1-CG 4.1Å; Y165-F167 HydrophobicContact CE2-CB 3.77Å; Y165-F167 HydrophobicContact CG-CB 4.4Å; Y165-F167 PolarHBondContact O-N 3.04Å; Y165-A168 HydrophobicContact CD1-CB 4.2Å; Y165-A168 WeakPolarHBondContact O-CB 3.49Å; Y165-A168 PolarHBondContact O-N 2.98Å; Y165-T169 PolarHBondContact O-OG1 2.86Å
166	G	95.3	Very high	97	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-56.8	-47.3	-174.2	0	0	0	0	0	112.5	A168 T169 N305 E307	G166-A168 PolarHBondContact O-N 2.78Å; G166-T169 WeakPolarHBondContact O-CB 3.43Å; G166-T169 PolarHBondContact O-N 3Å; G166-T169 PolarHBondContact O-OG1 2.48Å; G166-N305 VanDerWaalsContact CA-OD1 3.31Å; G166-N305 WeakPolarHBondContact CA-OD1 3.21Å; G166-N305 PolarHBondContact O-OD1 3.44Å; G166-E307 WeakPolarHBondContact CA-OE1 3.43Å; G166-E307 PolarHBondContact N-OE1 3.48Å
167	F	95.5	Very high	97	Very high	58 Å²	58	24 Å²	24	25%	0.254	12%	0.122	S	C	.	.	H	α-helix	trans	-56.5	-34.9	176.3	-178.9	-90.3	0	0	0	113.5	Y165 T169 A171 F192 S193 K196	Y165-F167 HydrophobicContact CD1-CB 4.02Å; Y165-F167 HydrophobicContact CD2-CB 4.29Å; Y165-F167 HydrophobicContact CE1-CB 3.5Å; Y165-F167 VanDerWaalsContact CE1-CB 3.5Å; Y165-F167 HydrophobicContact CE1-CD1 4.07Å; Y165-F167 HydrophobicContact CE1-CG 4.1Å; Y165-F167 HydrophobicContact CE2-CB 3.77Å; Y165-F167 HydrophobicContact CG-CB 4.4Å; Y165-F167 PolarHBondContact O-N 3.04Å; F167-T169 PolarHBondContact O-N 3.27Å; F167-A171 HydrophobicContact CE1-CB 4.39Å; F167-A171 WeakPolarHBondContact O-CB 3.37Å; F167-F192 HydrophobicContact CE2-CB 4.32Å; F167-F192 AromaticContact CE2-CD1 3.44Å; F167-F192 HydrophobicContact CE2-CD1 3.44Å; F167-F192 VanDerWaalsContact CE2-CD1 3.44Å; F167-F192 HydrophobicContact CE2-CE1 4.11Å; F167-F192 HydrophobicContact CE2-CG 4.15Å; F167-F192 AromaticContact CZ-CD1 3.78Å; F167-F192 HydrophobicContact CZ-CD1 3.78Å; F167-F192 AromaticContact CZ-CE1 4Å; F167-F192 HydrophobicContact CZ-CE1 4Å; F167-S193 VanDerWaalsContact CE2-CA 3.45Å; F167-S193 PolarHBondContact O-OG 3.19Å; F167-K196 HydrophobicContact CE1-CG 4.46Å; F167-K196 HydrophobicContact CZ-CB 4.11Å; F167-K196 HydrophobicContact CZ-CG 3.77Å
168	A	95.8	Very high	96.9	Very high	22 Å²	22	23 Å²	23	18%	0.182	12%	0.115	C	C	.	.	H	α-helix	trans	-72.9	-15.9	-178.7	0	0	0	0	0	112.7	Y165 G166 S172	Y165-A168 HydrophobicContact CD1-CB 4.2Å; Y165-A168 WeakPolarHBondContact O-CB 3.49Å; Y165-A168 PolarHBondContact O-N 2.98Å; G166-A168 PolarHBondContact O-N 2.78Å; A168-S172 WeakPolarHBondContact O-CB 3.17Å; A168-S172 PolarHBondContact O-N 2.76Å; A168-S172 PolarHBondContact O-OG 3.22Å
169	T	97.1	Very high	96.8	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-60.7	-69.9	-177.2	-49	0	0	0	0	110.8	Y163 Y165 G166 F167 A171 S172 A173 S303 G315 C317	Y163-T169 HydrophobicContact CD2-CG2 3.73Å; Y163-T169 HydrophobicContact CE2-CG2 4.09Å; Y163-T169 HydrophobicContact CG-CG2 4.33Å; Y165-T169 PolarHBondContact O-OG1 2.86Å; G166-T169 WeakPolarHBondContact O-CB 3.43Å; G166-T169 PolarHBondContact O-N 3Å; G166-T169 PolarHBondContact O-OG1 2.48Å; F167-T169 PolarHBondContact O-N 3.27Å; T169-A171 PolarHBondContact O-N 3Å; T169-S172 PolarHBondContact O-N 3.49Å; T169-S172 VanDerWaalsContact O-N 3.15Å; T169-A173 VanDerWaalsContact O-CB 3.25Å; T169-A173 WeakPolarHBondContact O-CB 3.44Å; T169-A173 PolarHBondContact O-N 3Å; T169-S303 VanDerWaalsContact CG2-OG 3.28Å; T169-S303 WeakPolarHBondContact CG2-OG 3.45Å; T169-G315 WeakPolarHBondContact OG1-CA 3.16Å; T169-C317 WeakPolarHBondContact CG2-SG 3.13Å
170	M	97.7	Very high	96.7	Very high	2 Å²	2	30.6 Å²	30.6	1%	0.01	14%	0.14	C	C	.	.	H	α-helix	trans	-67.5	-35.5	-179.9	-73.9	-59.7	-76.5	0	0	112.9	S172 A173 I174 S193 I194 V242 F271 E273 S303	M170-S172 PolarHBondContact O-N 3.23Å; M170-S172 VanDerWaalsContact O-N 3.16Å; M170-A173 PolarHBondContact O-N 2.75Å; M170-I174 HydrophobicContact CE-CD1 4Å; M170-I174 HydrophobicContact CE-CG1 3.97Å; M170-I174 WeakPolarHBondContact O-CG1 3.23Å; M170-I174 PolarHBondContact O-N 2.9Å; M170-I174 VanDerWaalsContact O-N 3.11Å; M170-S193 WeakPolarHBondContact CB-OG 3.37Å; M170-I194 HydrophobicContact CB-CG1 4.26Å; M170-I194 HydrophobicContact CE-CG1 4Å; M170-I194 HydrophobicContact CG-CG1 4.34Å; M170-V242 HydrophobicContact CE-CG1 4.06Å; M170-F271 HydrophobicContact CE-CB 4.28Å; M170-E273 HydrophobicContact CG-CB 4.4Å; M170-E273 HydrophobicContact CG-CG 3.59Å; M170-E273 HydrophobicContact SD-CG 4.37Å; M170-S303 WeakPolarHBondContact SD-CB 3.31Å
171	A	97.4	Very high	96.6	Very high	19 Å²	19	31.8 Å²	31.8	16%	0.157	15%	0.152	C	C	.	.	H	α-helix	trans	-58.5	-27.6	175.1	0	0	0	0	0	112.8	F167 T169 P175 S193 K196	F167-A171 HydrophobicContact CE1-CB 4.39Å; F167-A171 WeakPolarHBondContact O-CB 3.37Å; T169-A171 PolarHBondContact O-N 3Å; A171-P175 VanDerWaalsContact O-CD 3.28Å; A171-P175 WeakPolarHBondContact O-CD 3.49Å; A171-P175 VanDerWaalsContact O-CG 3.28Å; A171-P175 WeakPolarHBondContact O-CG 3.41Å; A171-S193 PolarHBondContact N-OG 2.86Å; A171-K196 HydrophobicContact CB-CB 4.31Å
172	S	96.9	Very high	96.6	Very high	11 Å²	11	32.1 Å²	32.1	8%	0.077	15%	0.153	C	C	.	.	H	α-helix	trans	-98.8	-32.2	176	-57	0	0	0	0	113.7	A168 T169 M170 P175 A176 G333	A168-S172 WeakPolarHBondContact O-CB 3.17Å; A168-S172 PolarHBondContact O-N 2.76Å; A168-S172 PolarHBondContact O-OG 3.22Å; T169-S172 PolarHBondContact O-N 3.49Å; T169-S172 VanDerWaalsContact O-N 3.15Å; M170-S172 PolarHBondContact O-N 3.23Å; M170-S172 VanDerWaalsContact O-N 3.16Å; S172-P175 WeakPolarHBondContact O-CD 3.44Å; S172-P175 WeakPolarHBondContact O-CG 3.38Å; S172-A176 PolarHBondContact O-N 3.31Å; S172-G333 VanDerWaalsContact OG-CA 3.27Å; S172-G333 WeakPolarHBondContact OG-CA 3.3Å; S172-G333 PolarHBondContact OG-N 2.94Å
173	A	97.4	Very high	96.6	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-70.5	-43.8	-176.2	0	0	0	0	0	111.7	T169 M170 A176 Y177 L301 Q327	T169-A173 VanDerWaalsContact O-CB 3.25Å; T169-A173 WeakPolarHBondContact O-CB 3.44Å; T169-A173 PolarHBondContact O-N 3Å; M170-A173 PolarHBondContact O-N 2.75Å; A173-A176 VanDerWaalsContact O-CB 3.27Å; A173-A176 WeakPolarHBondContact O-CB 3.45Å; A173-A176 PolarHBondContact O-N 3.39Å; A173-Y177 WeakPolarHBondContact O-CD2 3.24Å; A173-L301 HydrophobicContact CB-CD2 3.95Å; A173-Q327 VanDerWaalsContact CB-NE2 3.25Å
174	I	98.3	Very high	96.7	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-56.5	-55	178.6	-65.1	171	0	0	0	112	M170 A176 Y177 S178 I184 I194 L198 V242 F271	M170-I174 HydrophobicContact CE-CD1 4Å; M170-I174 HydrophobicContact CE-CG1 3.97Å; M170-I174 WeakPolarHBondContact O-CG1 3.23Å; M170-I174 PolarHBondContact O-N 2.9Å; M170-I174 VanDerWaalsContact O-N 3.11Å; I174-A176 PolarHBondContact O-N 2.91Å; I174-Y177 PolarHBondContact O-N 3.49Å; I174-S178 PolarHBondContact O-N 3.41Å; I174-I184 HydrophobicContact CG2-CD1 3.93Å; I174-I194 HydrophobicContact CD1-CB 4.35Å; I174-I194 HydrophobicContact CD1-CG2 3.99Å; I174-L198 HydrophobicContact CD1-CD2 4.32Å; I174-L198 HydrophobicContact CG2-CD2 4.36Å; I174-V242 HydrophobicContact CD1-CG1 4.33Å; I174-F271 HydrophobicContact CG1-CD2 4.24Å
175	P	97.4	Very high	96.9	Very high	21 Å²	21	31.2 Å²	31.2	14%	0.136	15%	0.146	C	C	.	.	H	α-helix	trans	-70.2	-13.8	-179.2	28.2	-37	0	0	0	114.4	A171 S172 Y177 S178 A200	A171-P175 VanDerWaalsContact O-CD 3.28Å; A171-P175 WeakPolarHBondContact O-CD 3.49Å; A171-P175 VanDerWaalsContact O-CG 3.28Å; A171-P175 WeakPolarHBondContact O-CG 3.41Å; S172-P175 WeakPolarHBondContact O-CD 3.44Å; S172-P175 WeakPolarHBondContact O-CG 3.38Å; P175-Y177 VanDerWaalsContact C-N 3.29Å; P175-S178 WeakPolarHBondContact CA-O 3.48Å; P175-A200 HydrophobicContact CB-CB 4.05Å; P175-A200 HydrophobicContact CG-CB 3.89Å
176	A	96.6	Very high	97	Very high	2 Å²	2	25.4 Å²	25.4	2%	0.017	12%	0.124	C	C	.	.	H	α-helix	trans	-63	-39	171.9	0	0	0	0	0	111	S172 A173 I174 H326 S330	S172-A176 PolarHBondContact O-N 3.31Å; A173-A176 VanDerWaalsContact O-CB 3.27Å; A173-A176 WeakPolarHBondContact O-CB 3.45Å; A173-A176 PolarHBondContact O-N 3.39Å; I174-A176 PolarHBondContact O-N 2.91Å; A176-H326 PolarHBondContact O-NE2 3.1Å; A176-S330 WeakPolarHBondContact CB-OG 3.47Å
177	Y	96.5	Very high	97.2	Very high	24 Å²	24	25.4 Å²	25.4	9%	0.094	12%	0.124	C	C	.	.	H	α-helix	trans	-102.5	-41.9	-177.1	-55.7	-72.4	0	0	0	113.5	A173 I174 P175 R238 F271 L301 V323 H326 Q327	A173-Y177 WeakPolarHBondContact O-CD2 3.24Å; I174-Y177 PolarHBondContact O-N 3.49Å; P175-Y177 VanDerWaalsContact C-N 3.29Å; Y177-R238 PolarHBondContact O-NH1 3.33Å; Y177-R238 PolarHBondContact O-NH2 2.9Å; Y177-F271 HydrophobicContact CD2-CE1 4.31Å; Y177-F271 HydrophobicContact CD2-CE2 4.16Å; Y177-F271 AromaticContact CD2-CZ 3.61Å; Y177-F271 HydrophobicContact CD2-CZ 3.61Å; Y177-F271 AromaticContact CG-CZ 3.89Å; Y177-F271 HydrophobicContact CG-CZ 3.89Å; Y177-L301 HydrophobicContact CD2-CD2 4.36Å; Y177-L301 HydrophobicContact CE2-CD1 4.17Å; Y177-L301 HydrophobicContact CE2-CD2 3.93Å; Y177-V323 HydrophobicContact CE1-CG1 3.94Å; Y177-V323 HydrophobicContact CE2-CG1 4.43Å; Y177-V323 WeakPolarHBondContact OH-CG1 3.44Å; Y177-V323 PolarHBondContact OH-O 2.89Å; Y177-H326 AromaticContact CD1-CD2 3.59Å; Y177-H326 HydrophobicContact CE1-CB 4.24Å; Y177-H326 AromaticContact CE1-CD2 3.44Å; Y177-H326 VanDerWaalsContact CE1-CD2 3.44Å; Y177-H326 WeakPolarHBondContact CE1-CD2 3.15Å; Y177-Q327 WeakPolarHBondContact OH-CB 3.25Å; Y177-Q327 PolarHBondContact OH-OE1 3.3Å
178	S	96.1	Very high	97.3	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.126	C	C	.	.			trans	-99.2	132.9	-176.4	-161	0	0	0	0	111.3	I174 P175 D182 S201 S203	I174-S178 PolarHBondContact O-N 3.41Å; P175-S178 WeakPolarHBondContact CA-O 3.48Å; S178-D182 WeakPolarHBondContact OG-CB 3.19Å; S178-S201 WeakPolarHBondContact O-CB 3.22Å; S178-S203 WeakPolarHBondContact CB-OG 3.34Å; S178-S203 PolarHBondContact OG-OG 3.26Å
179	K	95.1	Very high	97.4	Very high	111 Å²	111	25 Å²	25	48%	0.483	12%	0.12	S	C	.	.			trans	-133.1	174.4	-176.8	-59.9	-176.5	-178.8	-179.7	0	110.5	G181 D182 S201 S203	K179-G181 PolarHBondContact O-N 3.23Å; K179-G181 VanDerWaalsContact O-N 3.14Å; K179-D182 PolarHBondContact N-OD2 3.42Å; K179-D182 WeakPolarHBondContact O-CB 3.23Å; K179-D182 PolarHBondContact O-N 3.23Å; K179-S201 CarbonylContact C-O 3.58Å; K179-S201 WeakPolarHBondContact CA-O 3.41Å; K179-S203 PolarHBondContact O-OG 2.68Å
180	R	96.9	Very high	97.4	Very high	218 Å²	218	25 Å²	25	82%	0.823	12%	0.121	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.1	122.4	172.2	-172	-179.9	-175.6	179.9	2.3	110.9	S201 R202	R180-S201 PolarHBondContact N-O 3.01Å; R180-R202 WeakPolarHBondContact CA-O 3.43Å; R180-R202 HydrophobicContact CB-CB 4.35Å
181	G	95	Very high	97.3	Very high	26 Å²	26	25.7 Å²	25.7	27%	0.268	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	107.8	-17.8	-177.4	0	0	0	0	0	114.4	K179 T237	K179-G181 PolarHBondContact O-N 3.23Å; K179-G181 VanDerWaalsContact O-N 3.14Å; G181-T237 PolarHBondContact O-OG1 2.84Å
182	D	98.1	Very high	97.3	Very high	7 Å²	7	26.7 Å²	26.7	4%	0.037	13%	0.126	C	C	.	.			trans	-84.8	166.7	173.6	-61.1	-45.5	0	0	0	111.9	S178 K179 F204 R238	S178-D182 WeakPolarHBondContact OG-CB 3.19Å; K179-D182 PolarHBondContact N-OD2 3.42Å; K179-D182 WeakPolarHBondContact O-CB 3.23Å; K179-D182 PolarHBondContact O-N 3.23Å; D182-F204 WeakPolarHBondContact O-CD2 3.34Å; D182-F204 PolarHBondContact O-N 3.17Å; D182-R238 WeakPolarHBondContact CA-O 3.18Å; D182-R238 HydrophobicContact CB-CB 4.41Å; D182-R238 WeakPolarHBondContact CB-O 3.34Å; D182-R238 VanDerWaalsContact OD1-CB 3.3Å; D182-R238 WeakPolarHBondContact OD1-CB 3.34Å; D182-R238 IonicContact OD1-CZ 2.89Å; D182-R238 PolarHBondContact OD1-N 2.93Å; D182-R238 IonicContact OD1-NE 2.82Å; D182-R238 PolarHBondContact OD1-NE 3.27Å; D182-R238 VanDerWaalsContact OD1-NE 3.12Å; D182-R238 IonicContact OD1-NH2 2.69Å; D182-R238 IonicContact OD2-CZ 3.86Å; D182-R238 IonicContact OD2-NE 3.21Å; D182-R238 PolarHBondContact OD2-NE 2.82Å; D182-R238 VanDerWaalsContact OD2-NE 3.14Å; D182-R238 IonicContact OD2-NH2 2.82Å; D182-R238 PolarHBondContact OD2-NH2 3.24Å
183	M	98.4	Very high	97.3	Very high	13 Å²	13	26.8 Å²	26.8	6%	0.064	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	133.6	180	-175.6	59.5	63.2	0	0	110.8	F185 F204 K206 T237 R238 K239 F240	M183-F185 HydrophobicContact CG-CD2 4.26Å; M183-F185 HydrophobicContact CG-CE1 4.41Å; M183-F185 HydrophobicContact CG-CE2 3.57Å; M183-F185 HydrophobicContact CG-CZ 3.66Å; M183-F204 CarbonylContact C-O 3.59Å; M183-F204 WeakPolarHBondContact CA-O 3.41Å; M183-F204 HydrophobicContact CE-CB 3.36Å; M183-F204 HydrophobicContact CE-CG 4.16Å; M183-F204 HydrophobicContact SD-CB 3.8Å; M183-F204 VanDerWaalsContact SD-O 3.39Å; M183-K206 HydrophobicContact CE-CD 4.43Å; M183-K206 HydrophobicContact SD-CB 4.41Å; M183-K206 HydrophobicContact SD-CD 3.91Å; M183-K206 HydrophobicContact SD-CG 3.87Å; M183-T237 HydrophobicContact CB-CG2 4.43Å; M183-R238 PolarHBondContact N-O 2.7Å; M183-K239 HydrophobicContact CB-CG 4.31Å; M183-K239 VanDerWaalsContact O-CA 3.3Å; M183-K239 WeakPolarHBondContact O-CA 3.18Å; M183-F240 PolarHBondContact O-N 3.07Å
184	I	98.8	Very high	97.4	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	124.6	173.9	-53.8	177.8	0	0	0	109.2	I174 V186 L198 F204 I205 K206 F240 V242	I174-I184 HydrophobicContact CG2-CD1 3.93Å; I184-V186 HydrophobicContact CG2-CB 4.44Å; I184-L198 HydrophobicContact CB-CD2 4.3Å; I184-L198 HydrophobicContact CD1-CD2 3.7Å; I184-L198 HydrophobicContact CG2-CD2 3.68Å; I184-F204 PolarHBondContact N-O 3.08Å; I184-I205 HydrophobicContact CB-CD1 3.87Å; I184-I205 HydrophobicContact CD1-CD1 3.89Å; I184-I205 HydrophobicContact CG1-CD1 4.17Å; I184-I205 CarbonylContact O-C 3.45Å; I184-I205 WeakPolarHBondContact O-CA 3.27Å; I184-K206 PolarHBondContact O-N 2.95Å; I184-F240 CarbonylContact C-O 3.57Å; I184-F240 WeakPolarHBondContact CA-O 3.17Å; I184-F240 HydrophobicContact CG1-CB 4.46Å; I184-F240 HydrophobicContact CG1-CD2 4.39Å; I184-V242 HydrophobicContact CG2-CB 4.38Å; I184-V242 HydrophobicContact CG2-CG2 3.56Å
185	F	98.9	Very high	97.3	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	129	166.7	-55.4	-90.2	0	0	0	108	M183 K206 L216 L219 L220 Q223 F240 I241 V242	M183-F185 HydrophobicContact CG-CD2 4.26Å; M183-F185 HydrophobicContact CG-CE1 4.41Å; M183-F185 HydrophobicContact CG-CE2 3.57Å; M183-F185 HydrophobicContact CG-CZ 3.66Å; F185-K206 VanDerWaalsContact CA-O 3.24Å; F185-K206 WeakPolarHBondContact CA-O 3.25Å; F185-K206 HydrophobicContact CD1-CB 3.82Å; F185-K206 HydrophobicContact CD1-CD 4.35Å; F185-K206 HydrophobicContact CE1-CB 4.05Å; F185-K206 HydrophobicContact CE1-CD 3.69Å; F185-K206 HydrophobicContact CE1-CG 4.44Å; F185-K206 HydrophobicContact CZ-CD 4.39Å; F185-L216 HydrophobicContact CB-CD1 3.79Å; F185-L216 HydrophobicContact CD1-CD1 4.32Å; F185-L216 HydrophobicContact CG-CD1 4.2Å; F185-L219 HydrophobicContact CD1-CB 3.98Å; F185-L219 HydrophobicContact CE1-CB 3.87Å; F185-L220 HydrophobicContact CD1-CD2 4.42Å; F185-L220 HydrophobicContact CD2-CD2 3.86Å; F185-L220 HydrophobicContact CE1-CD2 4.21Å; F185-L220 HydrophobicContact CE2-CD2 3.63Å; F185-L220 HydrophobicContact CG-CD2 4.26Å; F185-L220 HydrophobicContact CZ-CD2 3.82Å; F185-Q223 HydrophobicContact CZ-CB 3.82Å; F185-Q223 HydrophobicContact CZ-CG 4.07Å; F185-F240 PolarHBondContact N-O 3.02Å; F185-I241 HydrophobicContact CB-CG1 4.24Å; F185-I241 CarbonylContact O-C 3.45Å; F185-I241 VanDerWaalsContact O-CA 3.24Å; F185-I241 WeakPolarHBondContact O-CA 3.18Å; F185-V242 PolarHBondContact O-N 2.83Å
186	V	98.8	Very high	97.3	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	140.6	-174.2	55.2	0	0	0	0	110.4	I184 A190 I194 L198 I205 K206 Y207 F208 V242	I184-V186 HydrophobicContact CG2-CB 4.44Å; V186-A190 HydrophobicContact CG2-CB 3.72Å; V186-I194 HydrophobicContact CG2-CG2 4.1Å; V186-L198 HydrophobicContact CB-CD1 4.29Å; V186-L198 HydrophobicContact CG1-CD1 3.8Å; V186-L198 HydrophobicContact CG2-CD1 4.1Å; V186-I205 HydrophobicContact CG1-CG2 3.61Å; V186-K206 PolarHBondContact N-O 3.41Å; V186-K206 VanDerWaalsContact N-O 3.07Å; V186-Y207 HydrophobicContact CG1-CD1 3.39Å; V186-Y207 HydrophobicContact CG1-CE1 3.35Å; V186-Y207 HydrophobicContact CG1-CE2 4.49Å; V186-Y207 HydrophobicContact CG1-CG 4.01Å; V186-Y207 VanDerWaalsContact O-CA 3.28Å; V186-Y207 WeakPolarHBondContact O-CA 3.39Å; V186-F208 VanDerWaalsContact C-CD1 3.41Å; V186-F208 VanDerWaalsContact O-CD1 3.26Å; V186-F208 WeakPolarHBondContact O-CD1 3.36Å; V186-F208 PolarHBondContact O-N 3.24Å; V186-V242 WeakPolarHBondContact CA-O 3.31Å; V186-V242 HydrophobicContact CB-CB 4.37Å; V186-V242 HydrophobicContact CG2-CB 4.22Å
187	D	98.7	Very high	97.4	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	135.2	175.1	-169.8	-67.3	0	0	0	109.5	A189 A190 F208 H210 N211 V242 V243 Y247	D187-A189 PolarHBondContact O-N 2.72Å; D187-A189 WeakPolarHBondContact OD1-CB 3.46Å; D187-A189 PolarHBondContact OD1-N 3.19Å; D187-A190 VanDerWaalsContact O-CB 3.24Å; D187-A190 WeakPolarHBondContact O-CB 3.45Å; D187-A190 PolarHBondContact O-N 2.65Å; D187-A190 VanDerWaalsContact O-N 3.15Å; D187-F208 HydrophobicContact CB-CE1 4.13Å; D187-F208 HydrophobicContact CB-CE2 3.89Å; D187-F208 HydrophobicContact CB-CZ 3.57Å; D187-F208 WeakPolarHBondContact OD2-CE2 3.41Å; D187-H210 WeakPolarHBondContact OD1-CA 3.39Å; D187-H210 IonicContact OD1-CE1 2.86Å; D187-H210 IonicContact OD1-CG 2.67Å; D187-H210 IonicContact OD1-ND1 2.79Å; D187-H210 PolarHBondContact OD1-ND1 2.98Å; D187-H210 WeakPolarHBondContact OD2-CA 3.35Å; D187-H210 IonicContact OD2-ND1 2.84Å; D187-H210 PolarHBondContact OD2-ND1 3.28Å; D187-N211 PolarHBondContact OD2-N 2.87Å; D187-V242 PolarHBondContact N-O 3.45Å; D187-V243 HydrophobicContact CB-CG1 4.32Å; D187-Y247 HydrophobicContact CB-CE1 3.89Å; D187-Y247 WeakPolarHBondContact CB-OH 3.45Å; D187-Y247 PolarHBondContact OD2-OH 3.41Å
188	E	97.8	Very high	97.5	Very high	63 Å²	63	27.4 Å²	27.4	29%	0.294	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-22.8	-178.7	72.7	-172.9	167.9	0	0	114	A190 F208 H210 F437	E188-A190 VanDerWaalsContact C-N 3.28Å; E188-A190 PolarHBondContact O-N 3Å; E188-F208 PolarHBondContact N-O 2.72Å; E188-F208 VanDerWaalsContact N-O 3.08Å; E188-H210 HydrophobicContact CG-CB 4.03Å; E188-H210 PolarHBondContact OE1-N 2.91Å; E188-F437 HydrophobicContact CB-CD1 4.05Å; E188-F437 HydrophobicContact CB-CD2 3.93Å; E188-F437 HydrophobicContact CB-CE1 4.14Å; E188-F437 HydrophobicContact CB-CE2 4.04Å; E188-F437 HydrophobicContact CB-CG 3.94Å; E188-F437 HydrophobicContact CB-CZ 4.14Å; E188-F437 VanDerWaalsContact O-CB 3.28Å; E188-F437 WeakPolarHBondContact O-CB 3.33Å; E188-F437 WeakPolarHBondContact O-CD2 3.33Å
189	A	97.1	Very high	97.5	Very high	8 Å²	8	33.5 Å²	33.5	7%	0.066	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-0.2	178	0	0	0	0	0	114.1	D187 H210 Y247 N249 T250	D187-A189 PolarHBondContact O-N 2.72Å; D187-A189 WeakPolarHBondContact OD1-CB 3.46Å; D187-A189 PolarHBondContact OD1-N 3.19Å; A189-H210 HydrophobicContact CB-CB 4.28Å; A189-H210 WeakPolarHBondContact CB-ND1 3.43Å; A189-Y247 HydrophobicContact CB-CD1 3.88Å; A189-Y247 HydrophobicContact CB-CE1 4.23Å; A189-N249 PolarHBondContact O-ND2 3.01Å; A189-T250 HydrophobicContact CB-CG2 4.19Å
190	A	97.3	Very high	97.6	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.008	15%	0.152	C	C	.	.			trans	-54.3	137.6	-175.8	0	0	0	0	0	113.5	V186 D187 E188 I194 Q195 E244	V186-A190 HydrophobicContact CG2-CB 3.72Å; D187-A190 VanDerWaalsContact O-CB 3.24Å; D187-A190 WeakPolarHBondContact O-CB 3.45Å; D187-A190 PolarHBondContact O-N 2.65Å; D187-A190 VanDerWaalsContact O-N 3.15Å; E188-A190 VanDerWaalsContact C-N 3.28Å; E188-A190 PolarHBondContact O-N 3Å; A190-I194 HydrophobicContact CB-CB 4.22Å; A190-I194 HydrophobicContact CB-CD1 4.11Å; A190-I194 HydrophobicContact CB-CG2 3.92Å; A190-Q195 PolarHBondContact O-NE2 3.47Å; A190-E244 WeakPolarHBondContact CA-OE1 3.22Å
191	C	96.4	Very high	97.6	Very high	15 Å²	15	20.4 Å²	20.4	10%	0.101	12%	0.115	C	C	.	.			trans	-60.6	159.6	-176.2	75.8	0	0	0	0	113.1	S193 I194 Q195 E244 I248	C191-S193 PolarHBondContact O-N 3.17Å; C191-S193 VanDerWaalsContact O-N 3.16Å; C191-I194 WeakPolarHBondContact O-CB 3.46Å; C191-I194 PolarHBondContact O-N 2.81Å; C191-I194 VanDerWaalsContact O-N 3.07Å; C191-Q195 PolarHBondContact O-N 2.91Å; C191-Q195 VanDerWaalsContact O-N 3.15Å; C191-E244 WeakPolarHBondContact CB-OE1 3.17Å; C191-E244 PolarHBondContact N-OE1 2.92Å; C191-I248 HydrophobicContact CB-CG2 3.7Å
192	F	97	Very high	97.8	Very high	41 Å²	41	28.6 Å²	28.6	18%	0.18	14%	0.138	C	C	.	.	H	α-helix	trans	-60.8	-31.2	-174	-172.5	-127.2	0	0	0	114	F167 Q195 K196 L431 E434 E435	F167-F192 HydrophobicContact CE2-CB 4.32Å; F167-F192 AromaticContact CE2-CD1 3.44Å; F167-F192 HydrophobicContact CE2-CD1 3.44Å; F167-F192 VanDerWaalsContact CE2-CD1 3.44Å; F167-F192 HydrophobicContact CE2-CE1 4.11Å; F167-F192 HydrophobicContact CE2-CG 4.15Å; F167-F192 AromaticContact CZ-CD1 3.78Å; F167-F192 HydrophobicContact CZ-CD1 3.78Å; F167-F192 AromaticContact CZ-CE1 4Å; F167-F192 HydrophobicContact CZ-CE1 4Å; F192-Q195 HydrophobicContact CD2-CB 4.44Å; F192-Q195 PolarHBondContact O-N 2.97Å; F192-K196 HydrophobicContact CE1-CG 4.26Å; F192-K196 HydrophobicContact CE2-CD 4.24Å; F192-K196 HydrophobicContact CE2-CG 4.3Å; F192-K196 HydrophobicContact CZ-CD 4.18Å; F192-K196 HydrophobicContact CZ-CG 4.14Å; F192-K196 PolarHBondContact O-N 3.08Å; F192-L431 HydrophobicContact CD1-CD1 4.36Å; F192-L431 HydrophobicContact CE1-CD1 3.51Å; F192-L431 HydrophobicContact CZ-CB 4.46Å; F192-L431 HydrophobicContact CZ-CD1 3.56Å; F192-E434 HydrophobicContact CE2-CB 3.94Å; F192-E434 HydrophobicContact CZ-CB 3.99Å; F192-E435 HydrophobicContact CB-CG 4.49Å; F192-E435 HydrophobicContact CD2-CG 3.38Å; F192-E435 HydrophobicContact CE2-CG 3.69Å; F192-E435 HydrophobicContact CG-CG 4.14Å
193	S	96.9	Very high	97.8	Very high	12 Å²	12	29 Å²	29	8%	0.084	14%	0.141	C	C	.	.	H	α-helix	trans	-62.8	-44	175.9	177.4	0	0	0	0	111.7	F167 M170 A171 C191 Q195 K196 G197	F167-S193 VanDerWaalsContact CE2-CA 3.45Å; F167-S193 PolarHBondContact O-OG 3.19Å; M170-S193 WeakPolarHBondContact CB-OG 3.37Å; A171-S193 PolarHBondContact N-OG 2.86Å; C191-S193 PolarHBondContact O-N 3.17Å; C191-S193 VanDerWaalsContact O-N 3.16Å; S193-Q195 PolarHBondContact O-N 3.33Å; S193-K196 PolarHBondContact O-N 3.07Å; S193-G197 PolarHBondContact O-N 3.41Å
194	I	98.4	Very high	97.8	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-58.4	-50.4	173.1	-70.6	166.2	0	0	0	109.2	M170 I174 V186 A190 C191 K196 G197 L198 V242 E244 E273	M170-I194 HydrophobicContact CB-CG1 4.26Å; M170-I194 HydrophobicContact CE-CG1 4Å; M170-I194 HydrophobicContact CG-CG1 4.34Å; I174-I194 HydrophobicContact CD1-CB 4.35Å; I174-I194 HydrophobicContact CD1-CG2 3.99Å; V186-I194 HydrophobicContact CG2-CG2 4.1Å; A190-I194 HydrophobicContact CB-CB 4.22Å; A190-I194 HydrophobicContact CB-CD1 4.11Å; A190-I194 HydrophobicContact CB-CG2 3.92Å; C191-I194 WeakPolarHBondContact O-CB 3.46Å; C191-I194 PolarHBondContact O-N 2.81Å; C191-I194 VanDerWaalsContact O-N 3.07Å; I194-K196 VanDerWaalsContact C-N 3.26Å; I194-K196 PolarHBondContact O-N 3.27Å; I194-G197 CarbonylContact O-C 3.1Å; I194-G197 WeakPolarHBondContact O-CA 3.34Å; I194-G197 PolarHBondContact O-N 3.1Å; I194-L198 HydrophobicContact CG2-CD1 4.22Å; I194-L198 HydrophobicContact CG2-CD2 4.49Å; I194-L198 HydrophobicContact CG2-CG 4.17Å; I194-L198 WeakPolarHBondContact O-CG 3.24Å; I194-L198 PolarHBondContact O-N 3.47Å; I194-V242 HydrophobicContact CD1-CG1 4.08Å; I194-V242 HydrophobicContact CG1-CG1 4.15Å; I194-V242 HydrophobicContact CG2-CG1 3.64Å; I194-E244 HydrophobicContact CD1-CG 3.91Å; I194-E273 HydrophobicContact CD1-CB 4.04Å; I194-E273 HydrophobicContact CD1-CG 4.4Å
195	Q	98	Very high	97.7	Very high	16 Å²	16	36 Å²	36	8%	0.075	17%	0.173	C	C	.	.	H	α-helix	trans	-55.1	-40.1	-179.2	-62.3	-179.9	38.2	0	0	112.6	A190 C191 F192 S193 L198 Q199	A190-Q195 PolarHBondContact O-NE2 3.47Å; C191-Q195 PolarHBondContact O-N 2.91Å; C191-Q195 VanDerWaalsContact O-N 3.15Å; F192-Q195 HydrophobicContact CD2-CB 4.44Å; F192-Q195 PolarHBondContact O-N 2.97Å; S193-Q195 PolarHBondContact O-N 3.33Å; Q195-L198 WeakPolarHBondContact O-CB 3.5Å; Q195-L198 PolarHBondContact O-N 2.83Å; Q195-Q199 PolarHBondContact O-N 2.84Å
196	K	97.4	Very high	97.7	Very high	40 Å²	40	37.7 Å²	37.7	17%	0.174	18%	0.181	C	C	.	.	H	α-helix	trans	-70.6	-34.4	174.9	-67.9	-46.8	-175.5	-168.1	0	113.6	F167 A171 F192 S193 I194 Q199 A200 E434	F167-K196 HydrophobicContact CE1-CG 4.46Å; F167-K196 HydrophobicContact CZ-CB 4.11Å; F167-K196 HydrophobicContact CZ-CG 3.77Å; A171-K196 HydrophobicContact CB-CB 4.31Å; F192-K196 HydrophobicContact CE1-CG 4.26Å; F192-K196 HydrophobicContact CE2-CD 4.24Å; F192-K196 HydrophobicContact CE2-CG 4.3Å; F192-K196 HydrophobicContact CZ-CD 4.18Å; F192-K196 HydrophobicContact CZ-CG 4.14Å; F192-K196 PolarHBondContact O-N 3.08Å; S193-K196 PolarHBondContact O-N 3.07Å; I194-K196 VanDerWaalsContact C-N 3.26Å; I194-K196 PolarHBondContact O-N 3.27Å; K196-Q199 VanDerWaalsContact CD-OE1 3.27Å; K196-Q199 PolarHBondContact O-N 3.21Å; K196-A200 WeakPolarHBondContact O-CB 3.38Å; K196-A200 PolarHBondContact O-N 2.97Å; K196-E434 IonicContact NZ-OE2 2.97Å; K196-E434 PolarHBondContact NZ-OE2 3.23Å
197	G	97.8	Very high	97.7	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-63.4	-40.2	170.1	0	0	0	0	0	112.7	S193 I194 A200 S201	S193-G197 PolarHBondContact O-N 3.41Å; I194-G197 CarbonylContact O-C 3.1Å; I194-G197 WeakPolarHBondContact O-CA 3.34Å; I194-G197 PolarHBondContact O-N 3.1Å; G197-A200 PolarHBondContact O-N 3.49Å; G197-S201 WeakPolarHBondContact O-CB 3.47Å; G197-S201 PolarHBondContact O-N 3.16Å
198	L	98	Very high	97.7	Very high	5 Å²	5	40.2 Å²	40.2	3%	0.026	19%	0.19	C	C	.	.	H	α-helix	trans	-61	-47.7	174.1	-57.7	176.2	0	0	0	111.2	I174 I184 V186 I194 Q195 A200 S201 R202 I205 Y207	I174-L198 HydrophobicContact CD1-CD2 4.32Å; I174-L198 HydrophobicContact CG2-CD2 4.36Å; I184-L198 HydrophobicContact CB-CD2 4.3Å; I184-L198 HydrophobicContact CD1-CD2 3.7Å; I184-L198 HydrophobicContact CG2-CD2 3.68Å; V186-L198 HydrophobicContact CB-CD1 4.29Å; V186-L198 HydrophobicContact CG1-CD1 3.8Å; V186-L198 HydrophobicContact CG2-CD1 4.1Å; I194-L198 HydrophobicContact CG2-CD1 4.22Å; I194-L198 HydrophobicContact CG2-CD2 4.49Å; I194-L198 HydrophobicContact CG2-CG 4.17Å; I194-L198 WeakPolarHBondContact O-CG 3.24Å; I194-L198 PolarHBondContact O-N 3.47Å; Q195-L198 WeakPolarHBondContact O-CB 3.5Å; Q195-L198 PolarHBondContact O-N 2.83Å; L198-A200 VanDerWaalsContact C-N 3.35Å; L198-A200 PolarHBondContact O-N 2.99Å; L198-S201 WeakPolarHBondContact O-CB 3.46Å; L198-S201 PolarHBondContact O-N 3.08Å; L198-S201 PolarHBondContact O-OG 3.28Å; L198-R202 PolarHBondContact O-N 2.81Å; L198-I205 HydrophobicContact CB-CD1 4.1Å; L198-I205 HydrophobicContact CD1-CG2 4.19Å; L198-I205 HydrophobicContact CD2-CD1 4.13Å; L198-Y207 HydrophobicContact CD1-CE1 4.3Å
199	Q	96.9	Very high	97.8	Very high	127 Å²	127	42.7 Å²	42.7	59%	0.593	20%	0.2	S	C	*	.	H	α-helix	trans	-58.1	-46.4	176.7	-175.7	-179.4	2.2	0	0	111.4	Q195 K196 S201 R202	Q195-Q199 PolarHBondContact O-N 2.84Å; K196-Q199 VanDerWaalsContact CD-OE1 3.27Å; K196-Q199 PolarHBondContact O-N 3.21Å; Q199-S201 VanDerWaalsContact C-N 3.3Å; Q199-S201 PolarHBondContact O-N 2.99Å; Q199-R202 PolarHBondContact O-N 2.88Å
200	A	96.8	Very high	97.8	Very high	49 Å²	49	44.4 Å²	44.4	41%	0.405	21%	0.207	S	C	.	.	H	α-helix	trans	-64.3	-33.6	178.6	0	0	0	0	0	112.7	P175 K196 G197 L198 R202	P175-A200 HydrophobicContact CB-CB 4.05Å; P175-A200 HydrophobicContact CG-CB 3.89Å; K196-A200 WeakPolarHBondContact O-CB 3.38Å; K196-A200 PolarHBondContact O-N 2.97Å; G197-A200 PolarHBondContact O-N 3.49Å; L198-A200 VanDerWaalsContact C-N 3.35Å; L198-A200 PolarHBondContact O-N 2.99Å; A200-R202 VanDerWaalsContact C-N 3.3Å; A200-R202 PolarHBondContact O-N 2.97Å
201	S	97.6	Very high	97.8	Very high	5 Å²	5	46.5 Å²	46.5	4%	0.035	22%	0.218	C	C	.	.	H	α-helix	trans	-66.7	-28.7	-177.9	80.9	0	0	0	0	113.8	S178 K179 R180 G197 L198 Q199 S203	S178-S201 WeakPolarHBondContact O-CB 3.22Å; K179-S201 CarbonylContact C-O 3.58Å; K179-S201 WeakPolarHBondContact CA-O 3.41Å; R180-S201 PolarHBondContact N-O 3.01Å; G197-S201 WeakPolarHBondContact O-CB 3.47Å; G197-S201 PolarHBondContact O-N 3.16Å; L198-S201 WeakPolarHBondContact O-CB 3.46Å; L198-S201 PolarHBondContact O-N 3.08Å; L198-S201 PolarHBondContact O-OG 3.28Å; Q199-S201 VanDerWaalsContact C-N 3.3Å; Q199-S201 PolarHBondContact O-N 2.99Å; S201-S203 VanDerWaalsContact CB-OG 3.29Å; S201-S203 WeakPolarHBondContact CB-OG 3.42Å; S201-S203 PolarHBondContact O-N 2.89Å; S201-S203 VanDerWaalsContact O-N 3.13Å; S201-S203 WeakPolarHBondContact OG-CB 3.4Å; S201-S203 PolarHBondContact OG-N 3.31Å; S201-S203 VanDerWaalsContact OG-N 3.13Å; S201-S203 PolarHBondContact OG-OG 3.03Å
202	R	97.7	Very high	97.9	Very high	199 Å²	199	48.1 Å²	48.1	75%	0.751	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.9	22.7	-171.6	-52.9	176.3	178.2	-178.7	-2.4	113.7	R180 L198 Q199 A200	R180-R202 WeakPolarHBondContact CA-O 3.43Å; R180-R202 HydrophobicContact CB-CB 4.35Å; L198-R202 PolarHBondContact O-N 2.81Å; Q199-R202 PolarHBondContact O-N 2.88Å; A200-R202 VanDerWaalsContact C-N 3.3Å; A200-R202 PolarHBondContact O-N 2.97Å
203	S	98.3	Very high	98	Very high	14 Å²	14	47.7 Å²	47.7	10%	0.098	22%	0.224	C	C	.	.			trans	-73.7	166.4	177.5	-47.3	0	0	0	0	110.5	S178 K179 S201	S178-S203 WeakPolarHBondContact CB-OG 3.34Å; S178-S203 PolarHBondContact OG-OG 3.26Å; K179-S203 PolarHBondContact O-OG 2.68Å; S201-S203 VanDerWaalsContact CB-OG 3.29Å; S201-S203 WeakPolarHBondContact CB-OG 3.42Å; S201-S203 PolarHBondContact O-N 2.89Å; S201-S203 VanDerWaalsContact O-N 3.13Å; S201-S203 WeakPolarHBondContact OG-CB 3.4Å; S201-S203 PolarHBondContact OG-N 3.31Å; S201-S203 VanDerWaalsContact OG-N 3.13Å; S201-S203 PolarHBondContact OG-OG 3.03Å
204	F	98.2	Very high	98.1	Very high	107 Å²	107	54.9 Å²	54.9	47%	0.469	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	129	165.1	-63.4	-75.1	0	0	0	108.7	D182 M183 I184	D182-F204 WeakPolarHBondContact O-CD2 3.34Å; D182-F204 PolarHBondContact O-N 3.17Å; M183-F204 CarbonylContact C-O 3.59Å; M183-F204 WeakPolarHBondContact CA-O 3.41Å; M183-F204 HydrophobicContact CE-CB 3.36Å; M183-F204 HydrophobicContact CE-CG 4.16Å; M183-F204 HydrophobicContact SD-CB 3.8Å; M183-F204 VanDerWaalsContact SD-O 3.39Å; I184-F204 PolarHBondContact N-O 3.08Å
205	I	98.5	Very high	98.1	Very high	53 Å²	53	55.8 Å²	55.8	27%	0.272	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	125.6	-175.3	-45.3	-57.5	0	0	0	109.2	I184 V186 L198 Y207	I184-I205 HydrophobicContact CB-CD1 3.87Å; I184-I205 HydrophobicContact CD1-CD1 3.89Å; I184-I205 HydrophobicContact CG1-CD1 4.17Å; I184-I205 CarbonylContact O-C 3.45Å; I184-I205 WeakPolarHBondContact O-CA 3.27Å; V186-I205 HydrophobicContact CG1-CG2 3.61Å; L198-I205 HydrophobicContact CB-CD1 4.1Å; L198-I205 HydrophobicContact CD1-CG2 4.19Å; L198-I205 HydrophobicContact CD2-CD1 4.13Å; I205-Y207 HydrophobicContact CB-CE2 4.26Å; I205-Y207 HydrophobicContact CG2-CD2 3.94Å; I205-Y207 HydrophobicContact CG2-CE1 4.42Å; I205-Y207 HydrophobicContact CG2-CE2 3.44Å; I205-Y207 VanDerWaalsContact CG2-CE2 3.44Å
206	K	98.6	Very high	98.2	Very high	37 Å²	37	55 Å²	55	16%	0.161	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	113.5	170.5	-76	-180	172.3	175.1	0	108	M183 I184 F185 V186 L219 E226	M183-K206 HydrophobicContact CE-CD 4.43Å; M183-K206 HydrophobicContact SD-CB 4.41Å; M183-K206 HydrophobicContact SD-CD 3.91Å; M183-K206 HydrophobicContact SD-CG 3.87Å; I184-K206 PolarHBondContact O-N 2.95Å; F185-K206 VanDerWaalsContact CA-O 3.24Å; F185-K206 WeakPolarHBondContact CA-O 3.25Å; F185-K206 HydrophobicContact CD1-CB 3.82Å; F185-K206 HydrophobicContact CD1-CD 4.35Å; F185-K206 HydrophobicContact CE1-CB 4.05Å; F185-K206 HydrophobicContact CE1-CD 3.69Å; F185-K206 HydrophobicContact CE1-CG 4.44Å; F185-K206 HydrophobicContact CZ-CD 4.39Å; V186-K206 PolarHBondContact N-O 3.41Å; V186-K206 VanDerWaalsContact N-O 3.07Å; K206-L219 HydrophobicContact CB-CD1 4.4Å; K206-L219 HydrophobicContact CD-CD2 4.35Å; K206-E226 IonicContact NZ-OE1 3.84Å; K206-E226 PolarHBondContact NZ-OE1 2.93Å; K206-E226 IonicContact NZ-OE2 3.14Å
207	Y	98.7	Very high	98.2	Very high	50 Å²	50	55 Å²	55	20%	0.196	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	135.9	174.7	-68.6	-90.2	0	0	0	109.5	V186 L198 I205 L219 R436 F437	V186-Y207 HydrophobicContact CG1-CD1 3.39Å; V186-Y207 HydrophobicContact CG1-CE1 3.35Å; V186-Y207 HydrophobicContact CG1-CE2 4.49Å; V186-Y207 HydrophobicContact CG1-CG 4.01Å; V186-Y207 VanDerWaalsContact O-CA 3.28Å; V186-Y207 WeakPolarHBondContact O-CA 3.39Å; L198-Y207 HydrophobicContact CD1-CE1 4.3Å; I205-Y207 HydrophobicContact CB-CE2 4.26Å; I205-Y207 HydrophobicContact CG2-CD2 3.94Å; I205-Y207 HydrophobicContact CG2-CE1 4.42Å; I205-Y207 HydrophobicContact CG2-CE2 3.44Å; I205-Y207 VanDerWaalsContact CG2-CE2 3.44Å; Y207-L219 WeakPolarHBondContact O-CD1 3.42Å; Y207-R436 VanDerWaalsContact CE2-CD 3.46Å; Y207-F437 HydrophobicContact CD1-CD2 4.15Å; Y207-F437 AromaticContact CD1-CE2 3.34Å; Y207-F437 HydrophobicContact CD1-CE2 3.34Å; Y207-F437 HydrophobicContact CD1-CZ 4.08Å; Y207-F437 AromaticContact CD2-CE2 3.98Å; Y207-F437 HydrophobicContact CD2-CE2 3.98Å; Y207-F437 HydrophobicContact CD2-CZ 4.23Å; Y207-F437 HydrophobicContact CE1-CD2 4.2Å; Y207-F437 AromaticContact CE1-CE2 3.6Å; Y207-F437 HydrophobicContact CE1-CE2 3.6Å; Y207-F437 HydrophobicContact CE2-CE2 4.2Å; Y207-F437 AromaticContact CG-CE2 3.54Å; Y207-F437 HydrophobicContact CG-CE2 3.54Å; Y207-F437 AromaticContact CG-CZ 3.85Å; Y207-F437 HydrophobicContact CG-CZ 3.85Å
208	F	98.8	Very high	98.3	Very high	2 Å²	2	60.1 Å²	60.1	1%	0.009	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	152.7	167.9	65.7	-88	0	0	0	109.7	V186 D187 E188 M213 D215 L216 L219 V243	V186-F208 VanDerWaalsContact C-CD1 3.41Å; V186-F208 VanDerWaalsContact O-CD1 3.26Å; V186-F208 WeakPolarHBondContact O-CD1 3.36Å; V186-F208 PolarHBondContact O-N 3.24Å; D187-F208 HydrophobicContact CB-CE1 4.13Å; D187-F208 HydrophobicContact CB-CE2 3.89Å; D187-F208 HydrophobicContact CB-CZ 3.57Å; D187-F208 WeakPolarHBondContact OD2-CE2 3.41Å; E188-F208 PolarHBondContact N-O 2.72Å; E188-F208 VanDerWaalsContact N-O 3.08Å; F208-M213 HydrophobicContact CD2-CE 4.4Å; F208-M213 HydrophobicContact CE2-CE 3.74Å; F208-M213 HydrophobicContact CZ-CE 4.38Å; F208-D215 WeakPolarHBondContact CA-OD2 3.49Å; F208-L216 HydrophobicContact CB-CB 4.09Å; F208-L216 HydrophobicContact CD1-CB 4.25Å; F208-L216 HydrophobicContact CD1-CD1 3.72Å; F208-L216 HydrophobicContact CD1-CG 4.37Å; F208-L216 HydrophobicContact CD2-CB 3.94Å; F208-L216 HydrophobicContact CE1-CD1 4.02Å; F208-L216 HydrophobicContact CE1-CD2 4.2Å; F208-L216 HydrophobicContact CE2-CB 4.45Å; F208-L216 HydrophobicContact CE2-CD2 4.45Å; F208-L216 HydrophobicContact CG-CB 3.85Å; F208-L216 HydrophobicContact CG-CD1 4.18Å; F208-L216 HydrophobicContact CG-CG 4.46Å; F208-L216 HydrophobicContact CZ-CD2 4.18Å; F208-L219 HydrophobicContact CB-CD1 3.77Å; F208-V243 HydrophobicContact CZ-CG1 3.91Å
209	K	98.5	Very high	98.3	Very high	116 Å²	116	60.5 Å²	60.5	50%	0.504	28%	0.28	S	S	.	.			trans	-58.6	147	179	-67.5	176.8	-174.4	172.4	0	111.6	N211 D212 D215	K209-N211 PolarHBondContact O-N 3.35Å; K209-N211 VanDerWaalsContact O-N 3.16Å; K209-D212 HydrophobicContact CB-CB 3.71Å; K209-D212 WeakPolarHBondContact O-CB 3.38Å; K209-D212 PolarHBondContact O-N 2.69Å; K209-D215 PolarHBondContact N-OD2 2.93Å
210	H	98.1	Very high	98.4	Very high	43 Å²	43	54.6 Å²	54.6	20%	0.199	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	122.3	-173.6	-177.5	48.4	0	0	0	112.4	D187 E188 A189 D212 Y247 T250 D252	D187-H210 WeakPolarHBondContact OD1-CA 3.39Å; D187-H210 IonicContact OD1-CE1 2.86Å; D187-H210 IonicContact OD1-CG 2.67Å; D187-H210 IonicContact OD1-ND1 2.79Å; D187-H210 PolarHBondContact OD1-ND1 2.98Å; D187-H210 WeakPolarHBondContact OD2-CA 3.35Å; D187-H210 IonicContact OD2-ND1 2.84Å; D187-H210 PolarHBondContact OD2-ND1 3.28Å; E188-H210 HydrophobicContact CG-CB 4.03Å; E188-H210 PolarHBondContact OE1-N 2.91Å; A189-H210 HydrophobicContact CB-CB 4.28Å; A189-H210 WeakPolarHBondContact CB-ND1 3.43Å; H210-D212 PolarHBondContact O-N 3Å; H210-Y247 AromaticContact CE1-CD1 3.93Å; H210-Y247 AromaticContact CE1-CD2 3.5Å; H210-Y247 AromaticContact CE1-CE2 3.6Å; H210-Y247 AromaticContact CE1-CG 3.66Å; H210-Y247 AromaticContact CE1-CZ 3.9Å; H210-T250 PolarHBondContact NE2-OG1 3.18Å; H210-D252 IonicContact CD2-OD2 2.96Å; H210-D252 IonicContact NE2-OD2 3.99Å; H210-D252 PolarHBondContact NE2-OD2 3.04Å
211	N	97.8	Very high	98.5	Very high	45 Å²	45	56.2 Å²	56.2	24%	0.241	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.7	15.4	-178.7	-84.5	-11.5	0	0	0	115.8	D187 K209 M213 I253 P255	D187-N211 PolarHBondContact OD2-N 2.87Å; K209-N211 PolarHBondContact O-N 3.35Å; K209-N211 VanDerWaalsContact O-N 3.16Å; N211-M213 PolarHBondContact O-N 2.89Å; N211-I253 PolarHBondContact ND2-O 3.34Å; N211-P255 WeakPolarHBondContact OD1-CD 3.38Å
212	D	98.7	Very high	98.5	Very high	49 Å²	49	59.5 Å²	59.5	26%	0.262	27%	0.265	S	S	.	.			trans	-91.5	98.2	-178.7	-170.4	-24.4	0	0	0	111.3	K209 H210 E214 D215 L216	K209-D212 HydrophobicContact CB-CB 3.71Å; K209-D212 WeakPolarHBondContact O-CB 3.38Å; K209-D212 PolarHBondContact O-N 2.69Å; H210-D212 PolarHBondContact O-N 3Å; D212-E214 VanDerWaalsContact C-N 3.29Å; D212-E214 PolarHBondContact O-N 2.82Å; D212-E214 WeakPolarHBondContact OD1-CB 3.31Å; D212-E214 PolarHBondContact OD1-N 2.82Å; D212-D215 HydrophobicContact CB-CB 4.02Å; D212-D215 PolarHBondContact O-N 3.22Å; D212-D215 PolarHBondContact OD1-N 3.42Å; D212-L216 PolarHBondContact O-N 3.18Å; D212-L216 VanDerWaalsContact O-N 3.1Å
213	M	98.7	Very high	98.6	Very high	32 Å²	32	50.5 Å²	50.5	16%	0.158	23%	0.231	C	C	.	.	H	α-helix	trans	-73.1	-21.5	-179.4	-64.3	-59.4	98.6	0	0	113.3	F208 N211 L216 E217 P255 E258 L259 L262	F208-M213 HydrophobicContact CD2-CE 4.4Å; F208-M213 HydrophobicContact CE2-CE 3.74Å; F208-M213 HydrophobicContact CZ-CE 4.38Å; N211-M213 PolarHBondContact O-N 2.89Å; M213-L216 HydrophobicContact CE-CD2 4.11Å; M213-L216 HydrophobicContact SD-CD2 4.05Å; M213-E217 WeakPolarHBondContact O-CB 3.29Å; M213-E217 PolarHBondContact O-N 3.22Å; M213-P255 HydrophobicContact CE-CG 3.7Å; M213-P255 HydrophobicContact CG-CB 4.31Å; M213-P255 HydrophobicContact CG-CG 3.64Å; M213-P255 HydrophobicContact SD-CG 3.7Å; M213-E258 HydrophobicContact CG-CB 3.83Å; M213-E258 HydrophobicContact CG-CG 4.42Å; M213-E258 HydrophobicContact SD-CB 4.21Å; M213-L259 HydrophobicContact CE-CD2 3.84Å; M213-L259 HydrophobicContact CE-CG 4.4Å; M213-L259 HydrophobicContact SD-CD2 3.52Å; M213-L259 VanDerWaalsContact SD-CD2 3.52Å; M213-L259 HydrophobicContact SD-CG 3.83Å; M213-L262 HydrophobicContact SD-CD1 4.26Å
214	E	98.8	Very high	98.5	Very high	163 Å²	163	54 Å²	54	76%	0.762	25%	0.246	S	C	*	.	H	α-helix	trans	-73.8	-42.4	175.7	-61.3	-172.3	168	0	0	110.3	D212 E217 R218	D212-E214 VanDerWaalsContact C-N 3.29Å; D212-E214 PolarHBondContact O-N 2.82Å; D212-E214 WeakPolarHBondContact OD1-CB 3.31Å; D212-E214 PolarHBondContact OD1-N 2.82Å; E214-E217 PolarHBondContact O-N 3.44Å; E214-R218 WeakPolarHBondContact O-CB 3.44Å; E214-R218 PolarHBondContact O-N 2.98Å
215	D	98.9	Very high	98.5	Very high	20 Å²	20	53.5 Å²	53.5	11%	0.107	25%	0.248	C	C	.	.	H	α-helix	trans	-66.5	-41.6	175.5	-167.6	50.2	0	0	0	112	F208 K209 D212 R218 L219	F208-D215 WeakPolarHBondContact CA-OD2 3.49Å; K209-D215 PolarHBondContact N-OD2 2.93Å; D212-D215 HydrophobicContact CB-CB 4.02Å; D212-D215 PolarHBondContact O-N 3.22Å; D212-D215 PolarHBondContact OD1-N 3.42Å; D215-R218 WeakPolarHBondContact O-CB 2.96Å; D215-R218 PolarHBondContact O-N 2.91Å; D215-R218 IonicContact OD1-CZ 3.64Å; D215-R218 VanDerWaalsContact OD1-CZ 3.26Å; D215-R218 IonicContact OD1-NE 3.1Å; D215-R218 PolarHBondContact OD1-NE 3.26Å; D215-R218 IonicContact OD1-NH2 3.93Å; D215-R218 PolarHBondContact OD1-NH2 2.85Å; D215-R218 IonicContact OD2-NH2 3.33Å; D215-L219 WeakPolarHBondContact O-CG 3.19Å; D215-L219 PolarHBondContact O-N 3.38Å; D215-L219 VanDerWaalsContact O-N 3.08Å
216	L	98.9	Very high	98.4	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-59.3	-47.3	171.4	175.1	57.1	0	0	0	111.3	F185 F208 D212 M213 R218 L219 L220 I241 L259 L262	F185-L216 HydrophobicContact CB-CD1 3.79Å; F185-L216 HydrophobicContact CD1-CD1 4.32Å; F185-L216 HydrophobicContact CG-CD1 4.2Å; F208-L216 HydrophobicContact CB-CB 4.09Å; F208-L216 HydrophobicContact CD1-CB 4.25Å; F208-L216 HydrophobicContact CD1-CD1 3.72Å; F208-L216 HydrophobicContact CD1-CG 4.37Å; F208-L216 HydrophobicContact CD2-CB 3.94Å; F208-L216 HydrophobicContact CE1-CD1 4.02Å; F208-L216 HydrophobicContact CE1-CD2 4.2Å; F208-L216 HydrophobicContact CE2-CB 4.45Å; F208-L216 HydrophobicContact CE2-CD2 4.45Å; F208-L216 HydrophobicContact CG-CB 3.85Å; F208-L216 HydrophobicContact CG-CD1 4.18Å; F208-L216 HydrophobicContact CG-CG 4.46Å; F208-L216 HydrophobicContact CZ-CD2 4.18Å; D212-L216 PolarHBondContact O-N 3.18Å; D212-L216 VanDerWaalsContact O-N 3.1Å; M213-L216 HydrophobicContact CE-CD2 4.11Å; M213-L216 HydrophobicContact SD-CD2 4.05Å; L216-R218 VanDerWaalsContact C-N 3.31Å; L216-R218 PolarHBondContact O-N 3.49Å; L216-L219 PolarHBondContact O-N 2.67Å; L216-L220 HydrophobicContact CD1-CD1 4.01Å; L216-L220 HydrophobicContact CD1-CG 4.11Å; L216-L220 HydrophobicContact CG-CD1 3.92Å; L216-L220 HydrophobicContact CG-CG 4.47Å; L216-L220 WeakPolarHBondContact O-CG 3.14Å; L216-L220 PolarHBondContact O-N 3Å; L216-I241 HydrophobicContact CD2-CD1 4.15Å; L216-L259 HydrophobicContact CD2-CD2 3.53Å; L216-L262 HydrophobicContact CD2-CD1 3.81Å; L216-L262 HydrophobicContact CG-CD1 4.04Å
217	E	98.8	Very high	98.3	Very high	38 Å²	38	54.8 Å²	54.8	18%	0.178	26%	0.255	C	S	.	.	H	α-helix	trans	-62.7	-38.9	178.8	-168.8	-179.3	-147.4	0	0	111.9	M213 E214 L219 L220 K221 L262 R265 Y266	M213-E217 WeakPolarHBondContact O-CB 3.29Å; M213-E217 PolarHBondContact O-N 3.22Å; E214-E217 PolarHBondContact O-N 3.44Å; E217-L219 PolarHBondContact O-N 3.31Å; E217-L220 PolarHBondContact O-N 3.03Å; E217-K221 VanDerWaalsContact CD-NZ 3.27Å; E217-K221 HydrophobicContact CG-CD 4.3Å; E217-K221 HydrophobicContact CG-CG 4.45Å; E217-K221 WeakPolarHBondContact O-CG 3.39Å; E217-K221 PolarHBondContact O-N 3.46Å; E217-K221 IonicContact OE1-NZ 3.89Å; E217-K221 IonicContact OE2-NZ 2.69Å; E217-K221 PolarHBondContact OE2-NZ 3.34Å; E217-L262 HydrophobicContact CB-CD2 4.05Å; E217-L262 HydrophobicContact CG-CD2 3.89Å; E217-R265 IonicContact OE1-CZ 2.77Å; E217-R265 IonicContact OE1-NE 3.98Å; E217-R265 IonicContact OE1-NH1 2.85Å; E217-R265 PolarHBondContact OE1-NH1 2.86Å; E217-R265 IonicContact OE1-NH2 3.37Å; E217-Y266 HydrophobicContact CG-CE2 3.85Å; E217-Y266 VanDerWaalsContact CG-OH 3.27Å; E217-Y266 WeakPolarHBondContact CG-OH 3.3Å; E217-Y266 PolarHBondContact OE1-OH 2.82Å
218	R	98.8	Very high	98.2	Very high	108 Å²	108	58.4 Å²	58.4	41%	0.408	27%	0.273	S	S	.	.	H	α-helix	trans	-56.1	-49.3	173.9	-178.9	-171	63.1	74.2	-0	111.1	E214 D215 L216 L220 K221 E222	E214-R218 WeakPolarHBondContact O-CB 3.44Å; E214-R218 PolarHBondContact O-N 2.98Å; D215-R218 WeakPolarHBondContact O-CB 2.96Å; D215-R218 PolarHBondContact O-N 2.91Å; D215-R218 IonicContact OD1-CZ 3.64Å; D215-R218 VanDerWaalsContact OD1-CZ 3.26Å; D215-R218 IonicContact OD1-NE 3.1Å; D215-R218 PolarHBondContact OD1-NE 3.26Å; D215-R218 IonicContact OD1-NH2 3.93Å; D215-R218 PolarHBondContact OD1-NH2 2.85Å; D215-R218 IonicContact OD2-NH2 3.33Å; L216-R218 VanDerWaalsContact C-N 3.31Å; L216-R218 PolarHBondContact O-N 3.49Å; R218-L220 VanDerWaalsContact C-N 3.33Å; R218-L220 PolarHBondContact O-N 3.01Å; R218-K221 PolarHBondContact O-N 2.81Å; R218-E222 IonicContact CZ-OE1 3.08Å; R218-E222 VanDerWaalsContact NH1-CD 3.35Å; R218-E222 IonicContact NH1-OE1 3.76Å; R218-E222 PolarHBondContact NH1-OE1 3.37Å; R218-E222 IonicContact NH1-OE2 2.65Å; R218-E222 PolarHBondContact NH1-OE2 3.22Å; R218-E222 WeakPolarHBondContact O-CG 3.1Å; R218-E222 PolarHBondContact O-N 3.38Å
219	L	98.9	Very high	98.2	Very high	13 Å²	13	66.8 Å²	66.8	7%	0.068	31%	0.309	C	S	.	.	H	α-helix	trans	-64.8	-35.9	178.9	-67.3	168.6	0	0	0	112.7	F185 K206 Y207 F208 D215 L216 E217 Q223	F185-L219 HydrophobicContact CD1-CB 3.98Å; F185-L219 HydrophobicContact CE1-CB 3.87Å; K206-L219 HydrophobicContact CB-CD1 4.4Å; K206-L219 HydrophobicContact CD-CD2 4.35Å; Y207-L219 WeakPolarHBondContact O-CD1 3.42Å; F208-L219 HydrophobicContact CB-CD1 3.77Å; D215-L219 WeakPolarHBondContact O-CG 3.19Å; D215-L219 PolarHBondContact O-N 3.38Å; D215-L219 VanDerWaalsContact O-N 3.08Å; L216-L219 PolarHBondContact O-N 2.67Å; E217-L219 PolarHBondContact O-N 3.31Å; L219-Q223 PolarHBondContact O-N 3.23Å
220	L	98.8	Very high	98	Very high	3 Å²	3	65 Å²	65	2%	0.016	31%	0.306	C	S	.	.	H	α-helix	trans	-66.9	-43.1	175.6	-71.7	167.8	0	0	0	111.8	F185 L216 E217 R218 Q223 E224 L262 Y266 V268	F185-L220 HydrophobicContact CD1-CD2 4.42Å; F185-L220 HydrophobicContact CD2-CD2 3.86Å; F185-L220 HydrophobicContact CE1-CD2 4.21Å; F185-L220 HydrophobicContact CE2-CD2 3.63Å; F185-L220 HydrophobicContact CG-CD2 4.26Å; F185-L220 HydrophobicContact CZ-CD2 3.82Å; L216-L220 HydrophobicContact CD1-CD1 4.01Å; L216-L220 HydrophobicContact CD1-CG 4.11Å; L216-L220 HydrophobicContact CG-CD1 3.92Å; L216-L220 HydrophobicContact CG-CG 4.47Å; L216-L220 WeakPolarHBondContact O-CG 3.14Å; L216-L220 PolarHBondContact O-N 3Å; E217-L220 PolarHBondContact O-N 3.03Å; R218-L220 VanDerWaalsContact C-N 3.33Å; R218-L220 PolarHBondContact O-N 3.01Å; L220-Q223 PolarHBondContact O-N 3.37Å; L220-E224 PolarHBondContact O-N 2.69Å; L220-L262 HydrophobicContact CD1-CB 4.08Å; L220-L262 HydrophobicContact CD1-CD1 4.29Å; L220-L262 HydrophobicContact CD1-CD2 4.48Å; L220-Y266 HydrophobicContact CB-CD1 3.93Å; L220-Y266 HydrophobicContact CB-CD2 3.94Å; L220-Y266 HydrophobicContact CB-CE1 4.19Å; L220-Y266 HydrophobicContact CB-CE2 4.19Å; L220-Y266 HydrophobicContact CB-CG 3.8Å; L220-Y266 HydrophobicContact CD1-CD2 3.71Å; L220-Y266 HydrophobicContact CD1-CE2 4.24Å; L220-Y266 HydrophobicContact CD1-CG 4.17Å; L220-Y266 HydrophobicContact CD2-CG 4.48Å; L220-Y266 HydrophobicContact CG-CD2 4.35Å; L220-Y266 HydrophobicContact CG-CG 4.38Å; L220-V268 HydrophobicContact CD2-CG1 3.83Å; L220-V268 HydrophobicContact CD2-CG2 4.36Å
221	K	98.6	Very high	97.9	Very high	83 Å²	83	67.1 Å²	67.1	36%	0.361	32%	0.323	S	S	.	.	H	α-helix	trans	-61.9	-43.6	173.8	-73.6	171.1	-178.1	155	0	111.6	E217 R218 Q223 E224 L225 Y266	E217-K221 VanDerWaalsContact CD-NZ 3.27Å; E217-K221 HydrophobicContact CG-CD 4.3Å; E217-K221 HydrophobicContact CG-CG 4.45Å; E217-K221 WeakPolarHBondContact O-CG 3.39Å; E217-K221 PolarHBondContact O-N 3.46Å; E217-K221 IonicContact OE1-NZ 3.89Å; E217-K221 IonicContact OE2-NZ 2.69Å; E217-K221 PolarHBondContact OE2-NZ 3.34Å; R218-K221 PolarHBondContact O-N 2.81Å; K221-Q223 VanDerWaalsContact C-N 3.29Å; K221-Q223 PolarHBondContact O-N 3.43Å; K221-E224 WeakPolarHBondContact O-CB 3.5Å; K221-E224 PolarHBondContact O-N 2.9Å; K221-L225 WeakPolarHBondContact O-CG 3.26Å; K221-L225 PolarHBondContact O-N 2.87Å; K221-Y266 VanDerWaalsContact CE-OH 3.23Å; K221-Y266 WeakPolarHBondContact CE-OH 3.28Å; K221-Y266 HydrophobicContact CG-CE1 3.99Å; K221-Y266 WeakPolarHBondContact CG-OH 3.43Å
222	E	98.4	Very high	97.8	Very high	74 Å²	74	75.5 Å²	75.5	35%	0.346	35%	0.351	S	S	.	.	H	α-helix	trans	-58.2	-43.7	174.2	-74.3	169.6	-168.8	0	0	111.3	R218 L225 E226	R218-E222 IonicContact CZ-OE1 3.08Å; R218-E222 VanDerWaalsContact NH1-CD 3.35Å; R218-E222 IonicContact NH1-OE1 3.76Å; R218-E222 PolarHBondContact NH1-OE1 3.37Å; R218-E222 IonicContact NH1-OE2 2.65Å; R218-E222 PolarHBondContact NH1-OE2 3.22Å; R218-E222 WeakPolarHBondContact O-CG 3.1Å; R218-E222 PolarHBondContact O-N 3.38Å; E222-L225 PolarHBondContact O-N 3.43Å; E222-E226 WeakPolarHBondContact O-CG 3.23Å; E222-E226 PolarHBondContact O-N 2.78Å
223	Q	98.2	Very high	97.7	Very high	10 Å²	10	78.3 Å²	78.3	5%	0.047	36%	0.361	C	S	.	.	H	α-helix	trans	-65.8	-38.7	176.5	-168.5	58.1	50.2	0	0	112.8	F185 L219 L220 K221 L225 E226 D227 K239	F185-Q223 HydrophobicContact CZ-CB 3.82Å; F185-Q223 HydrophobicContact CZ-CG 4.07Å; L219-Q223 PolarHBondContact O-N 3.23Å; L220-Q223 PolarHBondContact O-N 3.37Å; K221-Q223 VanDerWaalsContact C-N 3.29Å; K221-Q223 PolarHBondContact O-N 3.43Å; Q223-L225 VanDerWaalsContact C-N 3.32Å; Q223-L225 PolarHBondContact O-N 3.02Å; Q223-E226 PolarHBondContact NE2-OE2 3.16Å; Q223-E226 PolarHBondContact O-N 3.22Å; Q223-E226 PolarHBondContact OE1-OE2 3.1Å; Q223-D227 PolarHBondContact NE2-OD1 3.37Å; Q223-D227 WeakPolarHBondContact O-CB 3.5Å; Q223-D227 VanDerWaalsContact O-CG 3.24Å; Q223-D227 PolarHBondContact O-N 3.48Å; Q223-K239 HydrophobicContact CG-CD 4.4Å
224	E	97.8	Very high	97.5	Very high	87 Å²	87	77.8 Å²	77.8	41%	0.407	36%	0.362	S	S	.	.	H	α-helix	trans	-60.7	-41.8	175	-177.5	173.8	-126.2	0	0	111.6	L220 K221 D227 Q228	L220-E224 PolarHBondContact O-N 2.69Å; K221-E224 WeakPolarHBondContact O-CB 3.5Å; K221-E224 PolarHBondContact O-N 2.9Å; E224-D227 PolarHBondContact O-N 3.44Å; E224-Q228 WeakPolarHBondContact O-CG 3.42Å; E224-Q228 PolarHBondContact O-N 2.69Å
225	L	97.7	Very high	97.3	Very high	98 Å²	98	80.5 Å²	80.5	51%	0.513	37%	0.365	S	S	.	.	H	α-helix	trans	-65.3	-39.1	174.6	-67.2	173.6	0	0	0	112.4	K221 E222 Q223 D227 K229	K221-L225 WeakPolarHBondContact O-CG 3.26Å; K221-L225 PolarHBondContact O-N 2.87Å; E222-L225 PolarHBondContact O-N 3.43Å; Q223-L225 VanDerWaalsContact C-N 3.32Å; Q223-L225 PolarHBondContact O-N 3.02Å; L225-D227 VanDerWaalsContact C-N 3.34Å; L225-K229 WeakPolarHBondContact O-CG 3.46Å; L225-K229 PolarHBondContact O-N 3.2Å
226	E	96.2	Very high	97.1	Very high	89 Å²	89	84.3 Å²	84.3	42%	0.416	39%	0.389	S	S	.	.	H	α-helix	trans	-62.4	-41.8	173.1	-73.5	176	-147.8	0	0	111.8	K206 E222 Q223 Q228 K229 N230	K206-E226 IonicContact NZ-OE1 3.84Å; K206-E226 PolarHBondContact NZ-OE1 2.93Å; K206-E226 IonicContact NZ-OE2 3.14Å; E222-E226 WeakPolarHBondContact O-CG 3.23Å; E222-E226 PolarHBondContact O-N 2.78Å; Q223-E226 PolarHBondContact NE2-OE2 3.16Å; Q223-E226 PolarHBondContact O-N 3.22Å; Q223-E226 PolarHBondContact OE1-OE2 3.1Å; E226-Q228 VanDerWaalsContact C-N 3.35Å; E226-Q228 PolarHBondContact O-N 2.72Å; E226-K229 WeakPolarHBondContact O-CB 3.46Å; E226-K229 PolarHBondContact O-N 3.03Å; E226-K229 VanDerWaalsContact O-N 3.16Å; E226-N230 PolarHBondContact O-N 2.85Å
227	D	96.8	Very high	97	Very high	28 Å²	28	85.4 Å²	85.4	15%	0.15	40%	0.396	C	S	.	.	H	α-helix	trans	-66	-37.1	-179.3	-79.1	13.1	0	0	0	112.3	Q223 E224 L225 K229 N230 A234 K239	Q223-D227 PolarHBondContact NE2-OD1 3.37Å; Q223-D227 WeakPolarHBondContact O-CB 3.5Å; Q223-D227 VanDerWaalsContact O-CG 3.24Å; Q223-D227 PolarHBondContact O-N 3.48Å; E224-D227 PolarHBondContact O-N 3.44Å; L225-D227 VanDerWaalsContact C-N 3.34Å; D227-K229 PolarHBondContact O-N 3.37Å; D227-N230 CarbonylContact O-C 3.35Å; D227-N230 PolarHBondContact O-N 2.53Å; D227-N230 VanDerWaalsContact O-N 3.16Å; D227-A234 HydrophobicContact CB-CB 3.52Å; D227-K239 WeakPolarHBondContact OD2-CE 3.42Å; D227-K239 IonicContact OD2-NZ 3.64Å; D227-K239 PolarHBondContact OD2-NZ 3.45Å
228	Q	97	Very high	97	Very high	126 Å²	126	87.5 Å²	87.5	59%	0.589	40%	0.402	S	S	*	.	H	α-helix	trans	-61.6	-32.7	173.9	-72.3	172.6	14.2	0	0	112.3	E224 E226 N230	E224-Q228 WeakPolarHBondContact O-CG 3.42Å; E224-Q228 PolarHBondContact O-N 2.69Å; E226-Q228 VanDerWaalsContact C-N 3.35Å; E226-Q228 PolarHBondContact O-N 2.72Å; Q228-N230 VanDerWaalsContact C-N 3.33Å
229	K	97.4	Very high	97	Very high	177 Å²	177	83.6 Å²	83.6	77%	0.77	39%	0.388	S	S	*	.	H	α-helix	trans	-71.6	-27.7	176.8	-64.7	171.6	-174.3	175.9	0	112.5	L225 E226 D227	L225-K229 WeakPolarHBondContact O-CG 3.46Å; L225-K229 PolarHBondContact O-N 3.2Å; E226-K229 WeakPolarHBondContact O-CB 3.46Å; E226-K229 PolarHBondContact O-N 3.03Å; E226-K229 VanDerWaalsContact O-N 3.16Å; D227-K229 PolarHBondContact O-N 3.37Å
230	N	95.8	Very high	97	Very high	79 Å²	79	83.2 Å²	83.2	42%	0.422	39%	0.386	S	S	.	.			trans	-138.6	77.2	176.7	-168.2	-18.5	0	0	0	112.4	E226 D227 Q228 R232 K233 A234	E226-N230 PolarHBondContact O-N 2.85Å; D227-N230 CarbonylContact O-C 3.35Å; D227-N230 PolarHBondContact O-N 2.53Å; D227-N230 VanDerWaalsContact O-N 3.16Å; Q228-N230 VanDerWaalsContact C-N 3.33Å; N230-R232 PolarHBondContact O-N 3.49Å; N230-R232 VanDerWaalsContact O-N 3.17Å; N230-K233 HydrophobicContact CB-CB 4.22Å; N230-K233 PolarHBondContact O-N 3.27Å; N230-K233 VanDerWaalsContact O-N 3.13Å; N230-K233 PolarHBondContact OD1-N 2.97Å; N230-K233 VanDerWaalsContact OD1-N 3.16Å; N230-A234 PolarHBondContact O-N 2.98Å
231	P	95.9	Very high	97	Very high	88 Å²	88	83 Å²	83	57%	0.571	39%	0.385	S	S	*	.	H	α-helix	trans	-61.3	-29.9	-175.9	-25.7	35.5	0	0	0	113.7	A234 R235	P231-A234 PolarHBondContact O-N 3.26Å; P231-R235 WeakPolarHBondContact O-CB 3.25Å; P231-R235 PolarHBondContact O-N 3.33Å
232	R	95.9	Very high	97	Very high	220 Å²	220	79.1 Å²	79.1	83%	0.83	37%	0.368	S	S	*	.	H	α-helix	trans	-65.2	-43.7	178.1	-71.1	-175.4	179.9	173	0.6	111.5	N230	N230-R232 PolarHBondContact O-N 3.49Å; N230-R232 VanDerWaalsContact O-N 3.17Å
233	K	94.9	Very high	97	Very high	108 Å²	108	75.6 Å²	75.6	47%	0.47	35%	0.352	S	S	.	.	H	α-helix	trans	-68.4	-47.2	175.2	-175.6	-177	174.9	-168.5	0	110.5	N230 R235 V236 T237	N230-K233 HydrophobicContact CB-CB 4.22Å; N230-K233 PolarHBondContact O-N 3.27Å; N230-K233 VanDerWaalsContact O-N 3.13Å; N230-K233 PolarHBondContact OD1-N 2.97Å; N230-K233 VanDerWaalsContact OD1-N 3.16Å; K233-R235 PolarHBondContact O-N 3.43Å; K233-V236 WeakPolarHBondContact O-CG2 3.29Å; K233-V236 PolarHBondContact O-N 2.87Å; K233-T237 PolarHBondContact O-N 2.97Å; K233-T237 PolarHBondContact O-OG1 2.85Å
234	A	95.1	Very high	97	Very high	21 Å²	21	75.1 Å²	75.1	17%	0.174	35%	0.35	C	S	.	.	H	α-helix	trans	-54	-40	179.8	0	0	0	0	0	112.9	D227 N230 P231 V236 T237	D227-A234 HydrophobicContact CB-CB 3.52Å; N230-A234 PolarHBondContact O-N 2.98Å; P231-A234 PolarHBondContact O-N 3.26Å; A234-V236 PolarHBondContact O-N 3.1Å; A234-T237 PolarHBondContact O-N 2.98Å
235	R	94.6	Very high	97.1	Very high	220 Å²	220	71 Å²	71	83%	0.83	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-28.9	179.3	-170.3	176.3	69.7	150	2.5	114	P231 K233	P231-R235 WeakPolarHBondContact O-CB 3.25Å; P231-R235 PolarHBondContact O-N 3.33Å; K233-R235 PolarHBondContact O-N 3.43Å
236	V	95.6	Very high	97.1	Very high	101 Å²	101	66.4 Å²	66.4	61%	0.612	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.7	-13.5	-178.1	-60.9	0	0	0	0	113.2	K233 A234 R238	K233-V236 WeakPolarHBondContact O-CG2 3.29Å; K233-V236 PolarHBondContact O-N 2.87Å; A234-V236 PolarHBondContact O-N 3.1Å; V236-R238 PolarHBondContact O-N 3.42Å
237	T	96.6	Very high	97.2	Very high	23 Å²	23	62.2 Å²	62.2	14%	0.141	29%	0.286	C	S	.	.			trans	-74.6	120.2	176.5	-70.3	0	0	0	0	110.2	G181 M183 K233 A234 K239	G181-T237 PolarHBondContact O-OG1 2.84Å; M183-T237 HydrophobicContact CB-CG2 4.43Å; K233-T237 PolarHBondContact O-N 2.97Å; K233-T237 PolarHBondContact O-OG1 2.85Å; A234-T237 PolarHBondContact O-N 2.98Å; T237-K239 HydrophobicContact CG2-CG 4.34Å
238	R	97.7	Very high	97.2	Very high	81 Å²	81	63 Å²	63	31%	0.306	29%	0.29	S	S	.	.			trans	-85.7	145.1	170.9	-58.9	165.1	-72.5	173.7	5.8	108.7	Y177 D182 M183 V236 F240	Y177-R238 PolarHBondContact O-NH1 3.33Å; Y177-R238 PolarHBondContact O-NH2 2.9Å; D182-R238 WeakPolarHBondContact CA-O 3.18Å; D182-R238 HydrophobicContact CB-CB 4.41Å; D182-R238 WeakPolarHBondContact CB-O 3.34Å; D182-R238 VanDerWaalsContact OD1-CB 3.3Å; D182-R238 WeakPolarHBondContact OD1-CB 3.34Å; D182-R238 IonicContact OD1-CZ 2.89Å; D182-R238 PolarHBondContact OD1-N 2.93Å; D182-R238 IonicContact OD1-NE 2.82Å; D182-R238 PolarHBondContact OD1-NE 3.27Å; D182-R238 VanDerWaalsContact OD1-NE 3.12Å; D182-R238 IonicContact OD1-NH2 2.69Å; D182-R238 IonicContact OD2-CZ 3.86Å; D182-R238 IonicContact OD2-NE 3.21Å; D182-R238 PolarHBondContact OD2-NE 2.82Å; D182-R238 VanDerWaalsContact OD2-NE 3.14Å; D182-R238 IonicContact OD2-NH2 2.82Å; D182-R238 PolarHBondContact OD2-NH2 3.24Å; M183-R238 PolarHBondContact N-O 2.7Å; V236-R238 PolarHBondContact O-N 3.42Å; R238-F240 HydrophobicContact CB-CE2 3.57Å; R238-F240 HydrophobicContact CB-CZ 3.8Å
239	K	98.6	Very high	97.1	Very high	26 Å²	26	57.4 Å²	57.4	11%	0.113	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	133.5	-177	-58.1	-178.8	-170.1	174.4	0	109.9	M183 Q223 D227 T237 V268 R269	M183-K239 HydrophobicContact CB-CG 4.31Å; M183-K239 VanDerWaalsContact O-CA 3.3Å; M183-K239 WeakPolarHBondContact O-CA 3.18Å; Q223-K239 HydrophobicContact CG-CD 4.4Å; D227-K239 WeakPolarHBondContact OD2-CE 3.42Å; D227-K239 IonicContact OD2-NZ 3.64Å; D227-K239 PolarHBondContact OD2-NZ 3.45Å; T237-K239 HydrophobicContact CG2-CG 4.34Å; K239-V268 HydrophobicContact CB-CB 4.16Å; K239-V268 HydrophobicContact CB-CG1 3.61Å; K239-V268 HydrophobicContact CD-CG1 3.91Å; K239-V268 HydrophobicContact CG-CG1 4.46Å; K239-R269 PolarHBondContact O-N 2.67Å
240	F	98.8	Very high	97.1	Very high	5 Å²	5	49.8 Å²	49.8	2%	0.022	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	144.9	-177.1	-54.1	-89.4	0	0	0	110.3	M183 I184 F185 R238 R269 F271	M183-F240 PolarHBondContact O-N 3.07Å; I184-F240 CarbonylContact C-O 3.57Å; I184-F240 WeakPolarHBondContact CA-O 3.17Å; I184-F240 HydrophobicContact CG1-CB 4.46Å; I184-F240 HydrophobicContact CG1-CD2 4.39Å; F185-F240 PolarHBondContact N-O 3.02Å; R238-F240 HydrophobicContact CB-CE2 3.57Å; R238-F240 HydrophobicContact CB-CZ 3.8Å; F240-R269 CarbonylContact C-O 3.57Å; F240-R269 VanDerWaalsContact CA-O 3.31Å; F240-R269 WeakPolarHBondContact CA-O 3.43Å; F240-R269 HydrophobicContact CD1-CB 3.72Å; F240-R269 HydrophobicContact CE1-CB 4.13Å; F240-F271 HydrophobicContact CD1-CD1 4.32Å; F240-F271 AromaticContact CD1-CE1 3.63Å; F240-F271 HydrophobicContact CD1-CE1 3.63Å; F240-F271 AromaticContact CD1-CE2 3.84Å; F240-F271 HydrophobicContact CD1-CE2 3.84Å; F240-F271 AromaticContact CD1-CZ 3.34Å; F240-F271 HydrophobicContact CD1-CZ 3.34Å; F240-F271 AromaticContact CE1-CE1 3.84Å; F240-F271 HydrophobicContact CE1-CE1 3.84Å; F240-F271 HydrophobicContact CE1-CE2 4.21Å; F240-F271 AromaticContact CE1-CZ 3.41Å; F240-F271 HydrophobicContact CE1-CZ 3.41Å; F240-F271 VanDerWaalsContact CE1-CZ 3.41Å; F240-F271 HydrophobicContact CG-CE2 4.32Å; F240-F271 HydrophobicContact CG-CZ 4.24Å; F240-F271 HydrophobicContact CZ-CZ 4.35Å
241	I	98.9	Very high	97.1	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	133.9	161.1	-66.2	169.2	0	0	0	106.4	F185 L216 V243 L259 V268 R269 I270 F271	F185-I241 HydrophobicContact CB-CG1 4.24Å; F185-I241 CarbonylContact O-C 3.45Å; F185-I241 VanDerWaalsContact O-CA 3.24Å; F185-I241 WeakPolarHBondContact O-CA 3.18Å; L216-I241 HydrophobicContact CD2-CD1 4.15Å; I241-V243 HydrophobicContact CG2-CG1 3.99Å; I241-L259 HydrophobicContact CG2-CD2 4.12Å; I241-V268 HydrophobicContact CD1-CG2 3.44Å; I241-V268 VanDerWaalsContact CD1-CG2 3.44Å; I241-V268 HydrophobicContact CG1-CG2 3.84Å; I241-R269 PolarHBondContact N-O 2.74Å; I241-I270 HydrophobicContact CB-CG1 4.29Å; I241-I270 CarbonylContact O-C 3.49Å; I241-I270 WeakPolarHBondContact O-CA 3.33Å; I241-F271 PolarHBondContact O-N 3.3Å
242	V	98.9	Very high	97.1	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	124.5	176.5	-172.9	0	0	0	0	109	M170 I174 I184 F185 V186 D187 I194 F271	M170-V242 HydrophobicContact CE-CG1 4.06Å; I174-V242 HydrophobicContact CD1-CG1 4.33Å; I184-V242 HydrophobicContact CG2-CB 4.38Å; I184-V242 HydrophobicContact CG2-CG2 3.56Å; F185-V242 PolarHBondContact O-N 2.83Å; V186-V242 WeakPolarHBondContact CA-O 3.31Å; V186-V242 HydrophobicContact CB-CB 4.37Å; V186-V242 HydrophobicContact CG2-CB 4.22Å; D187-V242 PolarHBondContact N-O 3.45Å; I194-V242 HydrophobicContact CD1-CG1 4.08Å; I194-V242 HydrophobicContact CG1-CG1 4.15Å; I194-V242 HydrophobicContact CG2-CG1 3.64Å; V242-F271 WeakPolarHBondContact CA-O 3.26Å; V242-F271 HydrophobicContact CG1-CB 4.37Å; V242-F271 HydrophobicContact CG2-CB 4.17Å; V242-F271 HydrophobicContact CG2-CD2 4.07Å; V242-F271 HydrophobicContact CG2-CG 4.47Å
243	V	98.8	Very high	97.2	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	159.9	-178.1	-66.4	0	0	0	0	110.8	D187 F208 I241 L259 F271 L272 E273	D187-V243 HydrophobicContact CB-CG1 4.32Å; F208-V243 HydrophobicContact CZ-CG1 3.91Å; I241-V243 HydrophobicContact CG2-CG1 3.99Å; V243-L259 HydrophobicContact CB-CD1 4.42Å; V243-L259 HydrophobicContact CG1-CD1 4.03Å; V243-L259 HydrophobicContact CG1-CD2 4.46Å; V243-L259 HydrophobicContact CG2-CD1 3.87Å; V243-F271 PolarHBondContact N-O 3.29Å; V243-F271 VanDerWaalsContact N-O 3.15Å; V243-L272 HydrophobicContact CG2-CD1 3.79Å; V243-E273 PolarHBondContact O-N 3.15Å
244	E	98.8	Very high	97.4	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.005	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	146.4	162.4	-68.6	170.5	-105.9	0	0	109.5	A190 C191 I194 Y247 I248 C254 E273	A190-E244 WeakPolarHBondContact CA-OE1 3.22Å; C191-E244 WeakPolarHBondContact CB-OE1 3.17Å; C191-E244 PolarHBondContact N-OE1 2.92Å; I194-E244 HydrophobicContact CD1-CG 3.91Å; E244-Y247 HydrophobicContact CB-CD1 3.72Å; E244-Y247 HydrophobicContact CB-CD2 4.34Å; E244-Y247 HydrophobicContact CB-CE1 3.89Å; E244-Y247 HydrophobicContact CB-CG 3.95Å; E244-Y247 HydrophobicContact CG-CD1 4.13Å; E244-Y247 HydrophobicContact CG-CE1 4.38Å; E244-Y247 WeakPolarHBondContact OE1-CD1 3.46Å; E244-I248 WeakPolarHBondContact OE2-CG2 3.27Å; E244-I248 PolarHBondContact OE2-N 2.89Å; E244-C254 VanDerWaalsContact O-CB 3.24Å; E244-C254 WeakPolarHBondContact O-CB 3.24Å; E244-C254 PolarHBondContact O-SG 3.45Å; E244-E273 CarbonylContact C-O 3.48Å; E244-E273 VanDerWaalsContact CA-O 3.27Å; E244-E273 WeakPolarHBondContact CA-O 3.44Å; E244-E273 HydrophobicContact CG-CB 4.14Å
245	G	98.4	Very high	97.5	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.14	C	C	.	.	S	Bend	trans	-64.2	-57.3	170.9	0	0	0	0	0	110.1	I253 C254 E273 V288	G245-I253 CarbonylContact O-C 3.57Å; G245-I253 WeakPolarHBondContact O-CA 3.49Å; G245-I253 WeakPolarHBondContact O-CG1 3.26Å; G245-C254 PolarHBondContact O-N 3.49Å; G245-E273 PolarHBondContact N-O 2.98Å; G245-V288 VanDerWaalsContact C-CG1 3.5Å; G245-V288 WeakPolarHBondContact O-CG1 3.4Å
246	M	98.4	Very high	97.7	Very high	1 Å²	1	19 Å²	19	1%	0.005	10%	0.1	C	C	.	.	B	Isolated β-bridge	trans	-120.8	128.5	165.3	178.7	-178.5	-59.8	0	0	108.6	D252 M276 L281 F389 A390	M246-D252 CarbonylContact C-O 3.34Å; M246-D252 WeakPolarHBondContact CA-O 3.24Å; M246-M276 HydrophobicContact CB-CB 3.88Å; M246-M276 HydrophobicContact CG-CB 4.01Å; M246-M276 WeakPolarHBondContact O-CB 3.33Å; M246-M276 HydrophobicContact SD-CB 4.22Å; M246-L281 HydrophobicContact CE-CD1 3.72Å; M246-L281 HydrophobicContact CE-CD2 4.14Å; M246-L281 HydrophobicContact CE-CG 3.99Å; M246-F389 HydrophobicContact CE-CD2 3.86Å; M246-F389 HydrophobicContact CE-CE2 3.84Å; M246-A390 HydrophobicContact CE-CB 4.18Å; M246-A390 HydrophobicContact SD-CB 3.57Å; M246-A390 VanDerWaalsContact SD-CB 3.57Å
247	Y	98.3	Very high	97.9	Very high	1 Å²	1	15.8 Å²	15.8	0%	0.004	8%	0.081	C	C	.	.			trans	-79.9	124.9	-172.5	-70.7	-94.7	0	0	0	111.2	D187 A189 H210 E244 N249 T250 A251 D252 C254	D187-Y247 HydrophobicContact CB-CE1 3.89Å; D187-Y247 WeakPolarHBondContact CB-OH 3.45Å; D187-Y247 PolarHBondContact OD2-OH 3.41Å; A189-Y247 HydrophobicContact CB-CD1 3.88Å; A189-Y247 HydrophobicContact CB-CE1 4.23Å; H210-Y247 AromaticContact CE1-CD1 3.93Å; H210-Y247 AromaticContact CE1-CD2 3.5Å; H210-Y247 AromaticContact CE1-CE2 3.6Å; H210-Y247 AromaticContact CE1-CG 3.66Å; H210-Y247 AromaticContact CE1-CZ 3.9Å; E244-Y247 HydrophobicContact CB-CD1 3.72Å; E244-Y247 HydrophobicContact CB-CD2 4.34Å; E244-Y247 HydrophobicContact CB-CE1 3.89Å; E244-Y247 HydrophobicContact CB-CG 3.95Å; E244-Y247 HydrophobicContact CG-CD1 4.13Å; E244-Y247 HydrophobicContact CG-CE1 4.38Å; E244-Y247 WeakPolarHBondContact OE1-CD1 3.46Å; Y247-N249 PolarHBondContact O-N 3Å; Y247-N249 VanDerWaalsContact O-N 3.08Å; Y247-T250 VanDerWaalsContact CB-OG1 3.3Å; Y247-T250 WeakPolarHBondContact CB-OG1 3.45Å; Y247-T250 PolarHBondContact O-N 3.45Å; Y247-A251 VanDerWaalsContact O-CA 3.24Å; Y247-A251 WeakPolarHBondContact O-CA 3.35Å; Y247-A251 PolarHBondContact O-N 2.69Å; Y247-D252 WeakPolarHBondContact CD2-O 3.21Å; Y247-D252 PolarHBondContact N-O 2.9Å; Y247-C254 HydrophobicContact CE2-CB 3.92Å
248	I	96.6	Very high	98	Very high	45 Å²	45	18 Å²	18	23%	0.231	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-15.5	176.3	-167	168	0	0	0	113.7	F105 C191 E244 M276 H394 R444	F105-I248 HydrophobicContact CZ-CD1 4.17Å; C191-I248 HydrophobicContact CB-CG2 3.7Å; E244-I248 WeakPolarHBondContact OE2-CG2 3.27Å; E244-I248 PolarHBondContact OE2-N 2.89Å; I248-M276 HydrophobicContact CB-CG 3.82Å; I248-M276 HydrophobicContact CB-SD 4.19Å; I248-M276 HydrophobicContact CD1-SD 4.05Å; I248-M276 HydrophobicContact CG1-CG 4.22Å; I248-M276 HydrophobicContact CG1-SD 3.89Å; I248-H394 PolarHBondContact O-NE2 2.63Å; I248-R444 PolarHBondContact O-NH2 2.82Å
249	N	96	Very high	98	Very high	8 Å²	8	14.1 Å²	14.1	4%	0.043	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-28.3	-173	-73.3	-21.3	0	0	0	114	A189 Y247 Y430 T439	A189-N249 PolarHBondContact O-ND2 3.01Å; Y247-N249 PolarHBondContact O-N 3Å; Y247-N249 VanDerWaalsContact O-N 3.08Å; N249-Y430 WeakPolarHBondContact OD1-CE1 3.43Å; N249-Y430 PolarHBondContact OD1-OH 2.83Å; N249-T439 HydrophobicContact CB-CG2 3.79Å
250	T	95.9	Very high	98	Very high	17 Å²	17	13.5 Å²	13.5	10%	0.104	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.7	-17.5	-176.8	58.9	0	0	0	0	112.7	A189 H210 Y247 D252 G386 T439	A189-T250 HydrophobicContact CB-CG2 4.19Å; H210-T250 PolarHBondContact NE2-OG1 3.18Å; Y247-T250 VanDerWaalsContact CB-OG1 3.3Å; Y247-T250 WeakPolarHBondContact CB-OG1 3.45Å; Y247-T250 PolarHBondContact O-N 3.45Å; T250-D252 PolarHBondContact O-N 2.73Å; T250-G386 VanDerWaalsContact O-CA 3.25Å; T250-G386 WeakPolarHBondContact O-CA 3.34Å; T250-G386 PolarHBondContact O-N 3.13Å; T250-T439 HydrophobicContact CG2-CG2 4.25Å
251	A	96.6	Very high	98	Very high	2 Å²	2	19.4 Å²	19.4	2%	0.017	10%	0.099	C	C	.	.			trans	60.8	18.3	-172.7	0	0	0	0	0	114.1	Y247 E387 A390 A392	Y247-A251 VanDerWaalsContact O-CA 3.24Å; Y247-A251 WeakPolarHBondContact O-CA 3.35Å; Y247-A251 PolarHBondContact O-N 2.69Å; A251-E387 PolarHBondContact O-N 3.22Å; A251-A390 HydrophobicContact CB-CB 3.83Å; A251-A392 VanDerWaalsContact CB-O 3.3Å; A251-A392 WeakPolarHBondContact CB-O 3.39Å
252	D	96.4	Very high	98	Very high	39 Å²	39	20.2 Å²	20.2	21%	0.209	10%	0.103	C	C	.	.	P	Polyproline II helix	trans	-85.6	159.9	171.6	-61.1	-32.9	0	0	0	110.6	H210 M246 Y247 T250 G386	H210-D252 IonicContact CD2-OD2 2.96Å; H210-D252 IonicContact NE2-OD2 3.99Å; H210-D252 PolarHBondContact NE2-OD2 3.04Å; M246-D252 CarbonylContact C-O 3.34Å; M246-D252 WeakPolarHBondContact CA-O 3.24Å; Y247-D252 WeakPolarHBondContact CD2-O 3.21Å; Y247-D252 PolarHBondContact N-O 2.9Å; T250-D252 PolarHBondContact O-N 2.73Å; D252-G386 WeakPolarHBondContact OD1-CA 3.46Å
253	I	98	Very high	98	Very high	21 Å²	21	21 Å²	21	11%	0.108	11%	0.107	C	C	.	.	B	Isolated β-bridge	trans	-99.4	143.8	175	-166.6	174.6	0	0	0	110.2	N211 G245 L281 V288 H291 F292 E387	N211-I253 PolarHBondContact ND2-O 3.34Å; G245-I253 CarbonylContact O-C 3.57Å; G245-I253 WeakPolarHBondContact O-CA 3.49Å; G245-I253 WeakPolarHBondContact O-CG1 3.26Å; I253-L281 HydrophobicContact CD1-CD1 3.66Å; I253-L281 HydrophobicContact CG1-CD1 4.33Å; I253-V288 HydrophobicContact CD1-CG1 3.75Å; I253-V288 HydrophobicContact CG1-CG1 3.66Å; I253-H291 VanDerWaalsContact CD1-CD2 3.5Å; I253-H291 WeakPolarHBondContact CD1-CD2 2.95Å; I253-F292 HydrophobicContact CD1-CE2 3.52Å; I253-F292 HydrophobicContact CD1-CZ 3.65Å; I253-F292 HydrophobicContact CG1-CE2 3.97Å; I253-F292 HydrophobicContact CG1-CZ 4.21Å; I253-F292 HydrophobicContact CG2-CZ 4.45Å; I253-E387 HydrophobicContact CG2-CG 4.36Å
254	C	98.3	Very high	98	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.007	13%	0.131	C	C	.	.	P	Polyproline II helix	trans	-73.5	147.1	173.8	69.6	0	0	0	0	111.9	E244 G245 Y247 L256 L259 F292	E244-C254 VanDerWaalsContact O-CB 3.24Å; E244-C254 WeakPolarHBondContact O-CB 3.24Å; E244-C254 PolarHBondContact O-SG 3.45Å; G245-C254 PolarHBondContact O-N 3.49Å; Y247-C254 HydrophobicContact CE2-CB 3.92Å; C254-L256 PolarHBondContact O-N 3.44Å; C254-L259 HydrophobicContact CB-CD1 4.12Å; C254-F292 WeakPolarHBondContact O-CE2 3.38Å
255	P	98.3	Very high	98	Very high	27 Å²	27	34.1 Å²	34.1	18%	0.175	16%	0.157	C	C	.	.			trans	-77	69.7	173.8	33	-36.5	0	0	0	110.6	N211 M213 P257 E258 L259	N211-P255 WeakPolarHBondContact OD1-CD 3.38Å; M213-P255 HydrophobicContact CE-CG 3.7Å; M213-P255 HydrophobicContact CG-CB 4.31Å; M213-P255 HydrophobicContact CG-CG 3.64Å; M213-P255 HydrophobicContact SD-CG 3.7Å; P255-P257 VanDerWaalsContact C-CD 3.48Å; P255-E258 HydrophobicContact CB-CB 4.28Å; P255-E258 HydrophobicContact CB-CG 4.47Å; P255-E258 PolarHBondContact O-N 3.31Å; P255-L259 WeakPolarHBondContact O-CG 3.28Å; P255-L259 PolarHBondContact O-N 3.46Å; P255-L259 VanDerWaalsContact O-N 3.08Å
256	L	98.6	Very high	98	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-55.7	-42.6	-173.4	-169.8	66	0	0	0	114.2	C254 E258 L259 V260 L272 V288 T289 F292 V294 I299	C254-L256 PolarHBondContact O-N 3.44Å; L256-E258 VanDerWaalsContact C-N 3.29Å; L256-E258 PolarHBondContact O-N 3.28Å; L256-L259 HydrophobicContact CD1-CD1 4.49Å; L256-L259 WeakPolarHBondContact O-CB 3.35Å; L256-L259 PolarHBondContact O-N 3.07Å; L256-V260 HydrophobicContact CG-CG2 4.37Å; L256-V260 VanDerWaalsContact O-CG2 3.29Å; L256-V260 WeakPolarHBondContact O-CG2 3.16Å; L256-V260 PolarHBondContact O-N 3.41Å; L256-L272 HydrophobicContact CD1-CD1 4.36Å; L256-L272 HydrophobicContact CD1-CD2 4.32Å; L256-L272 HydrophobicContact CD2-CD2 4.42Å; L256-V288 HydrophobicContact CD2-CB 4.44Å; L256-V288 HydrophobicContact CD2-CG2 3.9Å; L256-T289 HydrophobicContact CD2-CG2 3.9Å; L256-F292 HydrophobicContact CB-CD2 3.76Å; L256-F292 HydrophobicContact CB-CE2 4.11Å; L256-V294 HydrophobicContact CD2-CB 4.03Å; L256-V294 HydrophobicContact CD2-CG1 4.14Å; L256-V294 HydrophobicContact CD2-CG2 4.07Å; L256-V294 HydrophobicContact CG-CG1 4.48Å; L256-V294 HydrophobicContact CG-CG2 4.22Å; L256-I299 HydrophobicContact CD1-CD1 3.78Å; L256-I299 HydrophobicContact CG-CD1 4.46Å
257	P	98.7	Very high	97.9	Very high	34 Å²	34	43.4 Å²	43.4	22%	0.221	20%	0.197	C	C	.	.	H	α-helix	trans	-59	-39.1	178.2	-25	36.1	0	0	0	113.1	P255 V260 K261 F292 V294	P255-P257 VanDerWaalsContact C-CD 3.48Å; P257-V260 PolarHBondContact O-N 3.02Å; P257-K261 WeakPolarHBondContact O-CG 3.37Å; P257-K261 PolarHBondContact O-N 2.89Å; P257-K261 VanDerWaalsContact O-N 3.1Å; P257-F292 HydrophobicContact CG-CB 3.93Å; P257-F292 HydrophobicContact CG-CD1 3.94Å; P257-F292 HydrophobicContact CG-CG 3.9Å; P257-V294 HydrophobicContact CG-CG2 4.33Å
258	E	98.6	Very high	97.9	Very high	68 Å²	68	43.5 Å²	43.5	32%	0.318	20%	0.198	S	C	.	.	H	α-helix	trans	-68.8	-42.7	177.7	-71.9	52.4	-126.3	0	0	111.1	M213 P255 L256 V260 K261 L262	M213-E258 HydrophobicContact CG-CB 3.83Å; M213-E258 HydrophobicContact CG-CG 4.42Å; M213-E258 HydrophobicContact SD-CB 4.21Å; P255-E258 HydrophobicContact CB-CB 4.28Å; P255-E258 HydrophobicContact CB-CG 4.47Å; P255-E258 PolarHBondContact O-N 3.31Å; L256-E258 VanDerWaalsContact C-N 3.29Å; L256-E258 PolarHBondContact O-N 3.28Å; E258-V260 VanDerWaalsContact C-N 3.31Å; E258-V260 PolarHBondContact O-N 2.98Å; E258-K261 WeakPolarHBondContact O-CB 3.4Å; E258-K261 PolarHBondContact O-N 3.38Å; E258-K261 IonicContact OE1-NZ 3.71Å; E258-K261 PolarHBondContact OE1-NZ 2.96Å; E258-L262 WeakPolarHBondContact O-CG 3.28Å; E258-L262 PolarHBondContact O-N 2.98Å
259	L	98.8	Very high	98	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-58.6	-43.3	174.5	-69.8	170.3	0	0	0	111.5	M213 L216 I241 V243 C254 P255 L256 L262 K263 I270	M213-L259 HydrophobicContact CE-CD2 3.84Å; M213-L259 HydrophobicContact CE-CG 4.4Å; M213-L259 HydrophobicContact SD-CD2 3.52Å; M213-L259 VanDerWaalsContact SD-CD2 3.52Å; M213-L259 HydrophobicContact SD-CG 3.83Å; L216-L259 HydrophobicContact CD2-CD2 3.53Å; I241-L259 HydrophobicContact CG2-CD2 4.12Å; V243-L259 HydrophobicContact CB-CD1 4.42Å; V243-L259 HydrophobicContact CG1-CD1 4.03Å; V243-L259 HydrophobicContact CG1-CD2 4.46Å; V243-L259 HydrophobicContact CG2-CD1 3.87Å; C254-L259 HydrophobicContact CB-CD1 4.12Å; P255-L259 WeakPolarHBondContact O-CG 3.28Å; P255-L259 PolarHBondContact O-N 3.46Å; P255-L259 VanDerWaalsContact O-N 3.08Å; L256-L259 HydrophobicContact CD1-CD1 4.49Å; L256-L259 WeakPolarHBondContact O-CB 3.35Å; L256-L259 PolarHBondContact O-N 3.07Å; L259-L262 PolarHBondContact O-N 3.41Å; L259-K263 WeakPolarHBondContact O-CB 3.48Å; L259-K263 PolarHBondContact O-N 3.44Å; L259-I270 HydrophobicContact CB-CD1 4.16Å
260	V	98.8	Very high	98.1	Very high	13 Å²	13	45.9 Å²	45.9	8%	0.079	20%	0.204	C	C	.	.	H	α-helix	trans	-63.5	-42.9	177.2	173.5	0	0	0	0	111.2	L256 P257 E258 L262 K263 Y264 I270 V294 D298 I299	L256-V260 HydrophobicContact CG-CG2 4.37Å; L256-V260 VanDerWaalsContact O-CG2 3.29Å; L256-V260 WeakPolarHBondContact O-CG2 3.16Å; L256-V260 PolarHBondContact O-N 3.41Å; P257-V260 PolarHBondContact O-N 3.02Å; E258-V260 VanDerWaalsContact C-N 3.31Å; E258-V260 PolarHBondContact O-N 2.98Å; V260-L262 VanDerWaalsContact C-N 3.33Å; V260-L262 PolarHBondContact O-N 2.87Å; V260-K263 WeakPolarHBondContact O-CB 3.34Å; V260-K263 PolarHBondContact O-N 3Å; V260-Y264 HydrophobicContact CG1-CD2 3.93Å; V260-Y264 HydrophobicContact CG1-CE2 3.6Å; V260-Y264 VanDerWaalsContact O-CD2 3.25Å; V260-Y264 WeakPolarHBondContact O-CD2 3.38Å; V260-Y264 PolarHBondContact O-N 2.9Å; V260-Y264 VanDerWaalsContact O-N 3.17Å; V260-I270 HydrophobicContact CG2-CD1 4.32Å; V260-V294 HydrophobicContact CG2-CG1 3.82Å; V260-D298 HydrophobicContact CG1-CB 4.02Å; V260-D298 HydrophobicContact CG2-CB 4.38Å; V260-I299 HydrophobicContact CG2-CD1 4.17Å
261	K	98.7	Very high	98.3	Very high	130 Å²	130	45.3 Å²	45.3	57%	0.565	20%	0.199	S	C	*	.	H	α-helix	trans	-57	-46	173.8	-68.4	166	-165.8	159.7	0	111.2	P257 E258 Y264 R265	P257-K261 WeakPolarHBondContact O-CG 3.37Å; P257-K261 PolarHBondContact O-N 2.89Å; P257-K261 VanDerWaalsContact O-N 3.1Å; E258-K261 WeakPolarHBondContact O-CB 3.4Å; E258-K261 PolarHBondContact O-N 3.38Å; E258-K261 IonicContact OE1-NZ 3.71Å; E258-K261 PolarHBondContact OE1-NZ 2.96Å; K261-Y264 PolarHBondContact O-N 3.3Å; K261-R265 WeakPolarHBondContact O-CB 3.37Å; K261-R265 PolarHBondContact O-N 3.24Å; K261-R265 VanDerWaalsContact O-N 3.1Å
262	L	98.8	Very high	98.4	Very high	16 Å²	16	45.2 Å²	45.2	8%	0.084	20%	0.199	C	C	.	.	H	α-helix	trans	-67.2	-38	178.3	-67.5	176.7	0	0	0	112.2	M213 L216 E217 L220 E258 L259 V260 Y264 R265 Y266	M213-L262 HydrophobicContact SD-CD1 4.26Å; L216-L262 HydrophobicContact CD2-CD1 3.81Å; L216-L262 HydrophobicContact CG-CD1 4.04Å; E217-L262 HydrophobicContact CB-CD2 4.05Å; E217-L262 HydrophobicContact CG-CD2 3.89Å; L220-L262 HydrophobicContact CD1-CB 4.08Å; L220-L262 HydrophobicContact CD1-CD1 4.29Å; L220-L262 HydrophobicContact CD1-CD2 4.48Å; E258-L262 WeakPolarHBondContact O-CG 3.28Å; E258-L262 PolarHBondContact O-N 2.98Å; L259-L262 PolarHBondContact O-N 3.41Å; V260-L262 VanDerWaalsContact C-N 3.33Å; V260-L262 PolarHBondContact O-N 2.87Å; L262-Y264 PolarHBondContact O-N 3.45Å; L262-R265 PolarHBondContact O-N 3.17Å; L262-Y266 HydrophobicContact CB-CD2 4.43Å; L262-Y266 HydrophobicContact CD2-CD2 4.07Å; L262-Y266 HydrophobicContact CD2-CE2 3.66Å; L262-Y266 WeakPolarHBondContact O-CD2 3.22Å; L262-Y266 PolarHBondContact O-N 3.28Å
263	K	98.4	Very high	98.5	Very high	16 Å²	16	43.7 Å²	43.7	7%	0.07	19%	0.19	C	C	.	.	H	α-helix	trans	-51.8	-53.4	173.4	146.5	161.3	-177.2	174.2	0	111.5	L259 V260 K267 V268 I270 D298 D300	L259-K263 WeakPolarHBondContact O-CB 3.48Å; L259-K263 PolarHBondContact O-N 3.44Å; V260-K263 WeakPolarHBondContact O-CB 3.34Å; V260-K263 PolarHBondContact O-N 3Å; K263-K267 VanDerWaalsContact O-CA 3.22Å; K263-K267 WeakPolarHBondContact O-CA 3.19Å; K263-K267 PolarHBondContact O-N 3.03Å; K263-V268 HydrophobicContact CB-CG2 4.38Å; K263-V268 WeakPolarHBondContact CG-O 3.33Å; K263-V268 PolarHBondContact O-N 2.94Å; K263-V268 VanDerWaalsContact O-N 3.1Å; K263-I270 HydrophobicContact CB-CD1 3.75Å; K263-I270 HydrophobicContact CB-CG1 4.08Å; K263-I270 HydrophobicContact CD-CD1 3.85Å; K263-I270 HydrophobicContact CD-CG1 3.96Å; K263-I270 HydrophobicContact CG-CD1 4.41Å; K263-D298 WeakPolarHBondContact CD-O 3.47Å; K263-D298 VanDerWaalsContact CE-O 3.29Å; K263-D298 WeakPolarHBondContact CE-O 3.46Å; K263-D298 PolarHBondContact NZ-O 2.9Å; K263-D300 IonicContact NZ-OD1 3.12Å; K263-D300 PolarHBondContact NZ-OD1 3.35Å; K263-D300 IonicContact NZ-OD2 3.19Å; K263-D300 PolarHBondContact NZ-OD2 3.26Å
264	Y	98.4	Very high	98.5	Very high	129 Å²	129	42.7 Å²	42.7	51%	0.506	19%	0.185	S	C	.	.	H	α-helix	trans	-69.6	-40.2	-178.3	-72.8	-66.1	0	0	0	112.6	V260 K261 L262 D298	V260-Y264 HydrophobicContact CG1-CD2 3.93Å; V260-Y264 HydrophobicContact CG1-CE2 3.6Å; V260-Y264 VanDerWaalsContact O-CD2 3.25Å; V260-Y264 WeakPolarHBondContact O-CD2 3.38Å; V260-Y264 PolarHBondContact O-N 2.9Å; V260-Y264 VanDerWaalsContact O-N 3.17Å; K261-Y264 PolarHBondContact O-N 3.3Å; L262-Y264 PolarHBondContact O-N 3.45Å; Y264-D298 HydrophobicContact CE2-CB 4.43Å; Y264-D298 PolarHBondContact OH-OD1 3.43Å
265	R	98.4	Very high	98.4	Very high	149 Å²	149	43 Å²	43	56%	0.562	19%	0.188	S	C	*	.	H	α-helix	trans	-61.5	-47.1	179.4	-178.6	171.5	176.4	-179.3	-6.3	112.4	E217 K261 L262	E217-R265 IonicContact OE1-CZ 2.77Å; E217-R265 IonicContact OE1-NE 3.98Å; E217-R265 IonicContact OE1-NH1 2.85Å; E217-R265 PolarHBondContact OE1-NH1 2.86Å; E217-R265 IonicContact OE1-NH2 3.37Å; K261-R265 WeakPolarHBondContact O-CB 3.37Å; K261-R265 PolarHBondContact O-N 3.24Å; K261-R265 VanDerWaalsContact O-N 3.1Å; L262-R265 PolarHBondContact O-N 3.17Å
266	Y	98.1	Very high	98.4	Very high	14 Å²	14	42 Å²	42	6%	0.055	18%	0.18	C	C	.	.	H	α-helix	trans	-101.6	3.9	-174.1	-62.8	-79.6	0	0	0	113.9	E217 L220 K221 L262 V268	E217-Y266 HydrophobicContact CG-CE2 3.85Å; E217-Y266 VanDerWaalsContact CG-OH 3.27Å; E217-Y266 WeakPolarHBondContact CG-OH 3.3Å; E217-Y266 PolarHBondContact OE1-OH 2.82Å; L220-Y266 HydrophobicContact CB-CD1 3.93Å; L220-Y266 HydrophobicContact CB-CD2 3.94Å; L220-Y266 HydrophobicContact CB-CE1 4.19Å; L220-Y266 HydrophobicContact CB-CE2 4.19Å; L220-Y266 HydrophobicContact CB-CG 3.8Å; L220-Y266 HydrophobicContact CD1-CD2 3.71Å; L220-Y266 HydrophobicContact CD1-CE2 4.24Å; L220-Y266 HydrophobicContact CD1-CG 4.17Å; L220-Y266 HydrophobicContact CD2-CG 4.48Å; L220-Y266 HydrophobicContact CG-CD2 4.35Å; L220-Y266 HydrophobicContact CG-CG 4.38Å; K221-Y266 VanDerWaalsContact CE-OH 3.23Å; K221-Y266 WeakPolarHBondContact CE-OH 3.28Å; K221-Y266 HydrophobicContact CG-CE1 3.99Å; K221-Y266 WeakPolarHBondContact CG-OH 3.43Å; L262-Y266 HydrophobicContact CB-CD2 4.43Å; L262-Y266 HydrophobicContact CD2-CD2 4.07Å; L262-Y266 HydrophobicContact CD2-CE2 3.66Å; L262-Y266 WeakPolarHBondContact O-CD2 3.22Å; L262-Y266 PolarHBondContact O-N 3.28Å; Y266-V268 VanDerWaalsContact C-N 3.33Å; Y266-V268 PolarHBondContact O-N 3.43Å
267	K	97.2	Very high	98.4	Very high	181 Å²	181	42 Å²	42	79%	0.787	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	55	46.3	178.5	-55.5	177	-176.8	175	0	112.5	K263	K263-K267 VanDerWaalsContact O-CA 3.22Å; K263-K267 WeakPolarHBondContact O-CA 3.19Å; K263-K267 PolarHBondContact O-N 3.03Å
268	V	98.2	Very high	98.4	Very high	3 Å²	3	40.4 Å²	40.4	2%	0.018	17%	0.17	C	C	.	.			trans	-107.5	153.7	177.5	-58.2	0	0	0	0	110.4	L220 K239 I241 K263 Y266	L220-V268 HydrophobicContact CD2-CG1 3.83Å; L220-V268 HydrophobicContact CD2-CG2 4.36Å; K239-V268 HydrophobicContact CB-CB 4.16Å; K239-V268 HydrophobicContact CB-CG1 3.61Å; K239-V268 HydrophobicContact CD-CG1 3.91Å; K239-V268 HydrophobicContact CG-CG1 4.46Å; I241-V268 HydrophobicContact CD1-CG2 3.44Å; I241-V268 VanDerWaalsContact CD1-CG2 3.44Å; I241-V268 HydrophobicContact CG1-CG2 3.84Å; K263-V268 HydrophobicContact CB-CG2 4.38Å; K263-V268 WeakPolarHBondContact CG-O 3.33Å; K263-V268 PolarHBondContact O-N 2.94Å; K263-V268 VanDerWaalsContact O-N 3.1Å; Y266-V268 VanDerWaalsContact C-N 3.33Å; Y266-V268 PolarHBondContact O-N 3.43Å
269	R	98.4	Very high	98.3	Very high	104 Å²	104	37.2 Å²	37.2	39%	0.392	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	156.1	178.3	-66.9	172.3	-173.5	76.5	1.8	110.7	K239 F240 I241 D300	K239-R269 PolarHBondContact O-N 2.67Å; F240-R269 CarbonylContact C-O 3.57Å; F240-R269 VanDerWaalsContact CA-O 3.31Å; F240-R269 WeakPolarHBondContact CA-O 3.43Å; F240-R269 HydrophobicContact CD1-CB 3.72Å; F240-R269 HydrophobicContact CE1-CB 4.13Å; I241-R269 PolarHBondContact N-O 2.74Å; R269-D300 WeakPolarHBondContact CA-OD2 3.38Å; R269-D300 HydrophobicContact CB-CB 4.08Å; R269-D300 VanDerWaalsContact CB-OD2 3.25Å; R269-D300 WeakPolarHBondContact CB-OD2 3.46Å; R269-D300 HydrophobicContact CG-CB 4.43Å
270	I	98.8	Very high	98.3	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	126.3	177.3	-63	171.5	0	0	0	109.6	I241 L259 V260 K263 L272 I299 D300 L301	I241-I270 HydrophobicContact CB-CG1 4.29Å; I241-I270 CarbonylContact O-C 3.49Å; I241-I270 WeakPolarHBondContact O-CA 3.33Å; L259-I270 HydrophobicContact CB-CD1 4.16Å; V260-I270 HydrophobicContact CG2-CD1 4.32Å; K263-I270 HydrophobicContact CB-CD1 3.75Å; K263-I270 HydrophobicContact CB-CG1 4.08Å; K263-I270 HydrophobicContact CD-CD1 3.85Å; K263-I270 HydrophobicContact CD-CG1 3.96Å; K263-I270 HydrophobicContact CG-CD1 4.41Å; I270-L272 HydrophobicContact CG2-CB 4.4Å; I270-I299 HydrophobicContact CB-CD1 4.46Å; I270-I299 HydrophobicContact CD1-CD1 4.3Å; I270-I299 HydrophobicContact CG2-CD1 4.22Å; I270-I299 HydrophobicContact CG2-CG2 4.26Å; I270-D300 PolarHBondContact N-OD2 3.46Å; I270-D300 PolarHBondContact O-N 3.1Å; I270-D300 VanDerWaalsContact O-N 3.11Å; I270-L301 PolarHBondContact O-N 3.19Å
271	F	98.8	Very high	98.2	Very high	4 Å²	4	36.6 Å²	36.6	2%	0.018	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	122.3	161.7	-61	-14.6	0	0	0	108.4	M170 I174 Y177 F240 I241 V242 V243 L301	M170-F271 HydrophobicContact CE-CB 4.28Å; I174-F271 HydrophobicContact CG1-CD2 4.24Å; Y177-F271 HydrophobicContact CD2-CE1 4.31Å; Y177-F271 HydrophobicContact CD2-CE2 4.16Å; Y177-F271 AromaticContact CD2-CZ 3.61Å; Y177-F271 HydrophobicContact CD2-CZ 3.61Å; Y177-F271 AromaticContact CG-CZ 3.89Å; Y177-F271 HydrophobicContact CG-CZ 3.89Å; F240-F271 HydrophobicContact CD1-CD1 4.32Å; F240-F271 AromaticContact CD1-CE1 3.63Å; F240-F271 HydrophobicContact CD1-CE1 3.63Å; F240-F271 AromaticContact CD1-CE2 3.84Å; F240-F271 HydrophobicContact CD1-CE2 3.84Å; F240-F271 AromaticContact CD1-CZ 3.34Å; F240-F271 HydrophobicContact CD1-CZ 3.34Å; F240-F271 AromaticContact CE1-CE1 3.84Å; F240-F271 HydrophobicContact CE1-CE1 3.84Å; F240-F271 HydrophobicContact CE1-CE2 4.21Å; F240-F271 AromaticContact CE1-CZ 3.41Å; F240-F271 HydrophobicContact CE1-CZ 3.41Å; F240-F271 VanDerWaalsContact CE1-CZ 3.41Å; F240-F271 HydrophobicContact CG-CE2 4.32Å; F240-F271 HydrophobicContact CG-CZ 4.24Å; F240-F271 HydrophobicContact CZ-CZ 4.35Å; I241-F271 PolarHBondContact O-N 3.3Å; V242-F271 WeakPolarHBondContact CA-O 3.26Å; V242-F271 HydrophobicContact CG1-CB 4.37Å; V242-F271 HydrophobicContact CG2-CB 4.17Å; V242-F271 HydrophobicContact CG2-CD2 4.07Å; V242-F271 HydrophobicContact CG2-CG 4.47Å; V243-F271 PolarHBondContact N-O 3.29Å; V243-F271 VanDerWaalsContact N-O 3.15Å; F271-L301 WeakPolarHBondContact CA-O 3.49Å; F271-L301 HydrophobicContact CD1-CB 3.44Å; F271-L301 VanDerWaalsContact CD1-CB 3.44Å; F271-L301 HydrophobicContact CD1-CD2 4Å; F271-L301 HydrophobicContact CD1-CG 4.38Å; F271-L301 HydrophobicContact CD2-CD2 4.34Å; F271-L301 HydrophobicContact CE1-CB 3.82Å; F271-L301 HydrophobicContact CE1-CD2 4.21Å; F271-L301 HydrophobicContact CG-CB 4.17Å; F271-L301 HydrophobicContact CG-CD2 4.07Å; F271-L301 HydrophobicContact CZ-CD2 4.48Å
272	L	98.8	Very high	98.1	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.005	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	122.8	-174.5	-177.8	64.3	0	0	0	109.7	V243 L256 I270 E274 V288 T289 I299 L301 I302 S303	V243-L272 HydrophobicContact CG2-CD1 3.79Å; L256-L272 HydrophobicContact CD1-CD1 4.36Å; L256-L272 HydrophobicContact CD1-CD2 4.32Å; L256-L272 HydrophobicContact CD2-CD2 4.42Å; I270-L272 HydrophobicContact CG2-CB 4.4Å; L272-E274 HydrophobicContact CD2-CG 4.1Å; L272-E274 WeakPolarHBondContact CD2-OE1 3.43Å; L272-E274 HydrophobicContact CG-CG 4.03Å; L272-V288 HydrophobicContact CD1-CG2 4Å; L272-V288 HydrophobicContact CD2-CG2 3.77Å; L272-V288 HydrophobicContact CG-CG2 4.34Å; L272-T289 HydrophobicContact CD2-CG2 3.84Å; L272-I299 HydrophobicContact CB-CG2 3.67Å; L272-I299 HydrophobicContact CD2-CG1 4.31Å; L272-I299 HydrophobicContact CD2-CG2 4.2Å; L272-L301 PolarHBondContact N-O 2.85Å; L272-I302 CarbonylContact O-C 3.58Å; L272-I302 WeakPolarHBondContact O-CA 3.35Å; L272-S303 PolarHBondContact O-N 3.11Å
273	E	98.6	Very high	98	Very high	6 Å²	6	36.7 Å²	36.7	3%	0.028	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	114.2	176.6	-154.3	-56.9	124.4	0	0	109.6	M170 I194 V243 E244 G245 S275 S303	M170-E273 HydrophobicContact CG-CB 4.4Å; M170-E273 HydrophobicContact CG-CG 3.59Å; M170-E273 HydrophobicContact SD-CG 4.37Å; I194-E273 HydrophobicContact CD1-CB 4.04Å; I194-E273 HydrophobicContact CD1-CG 4.4Å; V243-E273 PolarHBondContact O-N 3.15Å; E244-E273 CarbonylContact C-O 3.48Å; E244-E273 VanDerWaalsContact CA-O 3.27Å; E244-E273 WeakPolarHBondContact CA-O 3.44Å; E244-E273 HydrophobicContact CG-CB 4.14Å; G245-E273 PolarHBondContact N-O 2.98Å; E273-S275 VanDerWaalsContact CD-OG 3.23Å; E273-S275 WeakPolarHBondContact OE1-CB 3.47Å; E273-S275 PolarHBondContact OE1-N 2.97Å; E273-S275 PolarHBondContact OE1-OG 2.98Å; E273-S275 WeakPolarHBondContact OE2-CB 3.47Å; E273-S275 PolarHBondContact OE2-N 3.22Å; E273-S275 PolarHBondContact OE2-OG 2.84Å; E273-S303 CarbonylContact C-O 3.53Å; E273-S303 WeakPolarHBondContact CA-O 3.41Å
274	E	98	Very high	97.9	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	17%	0.168	C	C	.	.			trans	-105.5	14.2	-169.6	-69.3	-92.6	-155.9	0	0	112.6	L272 M276 S277 F278 G287 V288 T289 I302 S303 A304	L272-E274 HydrophobicContact CD2-CG 4.1Å; L272-E274 WeakPolarHBondContact CD2-OE1 3.43Å; L272-E274 HydrophobicContact CG-CG 4.03Å; E274-M276 PolarHBondContact O-N 2.79Å; E274-S277 WeakPolarHBondContact CA-OG 3.49Å; E274-S277 PolarHBondContact O-N 2.99Å; E274-S277 PolarHBondContact O-OG 2.86Å; E274-S277 VanDerWaalsContact OE2-CB 3.23Å; E274-S277 WeakPolarHBondContact OE2-CB 3.48Å; E274-S277 PolarHBondContact OE2-OG 3.5Å; E274-F278 HydrophobicContact CB-CB 4.23Å; E274-F278 VanDerWaalsContact O-CB 3.23Å; E274-F278 WeakPolarHBondContact O-CB 3.43Å; E274-F278 PolarHBondContact O-N 3.25Å; E274-G287 VanDerWaalsContact OE2-CA 3.22Å; E274-G287 WeakPolarHBondContact OE2-CA 3.19Å; E274-V288 VanDerWaalsContact CD-N 3.33Å; E274-V288 WeakPolarHBondContact OE1-CG2 3.31Å; E274-V288 PolarHBondContact OE1-N 2.84Å; E274-V288 WeakPolarHBondContact OE2-CG2 3.45Å; E274-V288 PolarHBondContact OE2-N 3.08Å; E274-T289 PolarHBondContact OE1-N 3.04Å; E274-I302 HydrophobicContact CG-CG2 3.82Å; E274-S303 PolarHBondContact N-O 2.9Å; E274-A304 HydrophobicContact CB-CB 4.11Å
275	S	97.8	Very high	97.8	Very high	8 Å²	8	33.2 Å²	33.2	6%	0.056	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-32.9	-170.5	-76.4	0	0	0	0	114.9	E273 N305	E273-S275 VanDerWaalsContact CD-OG 3.23Å; E273-S275 WeakPolarHBondContact OE1-CB 3.47Å; E273-S275 PolarHBondContact OE1-N 2.97Å; E273-S275 PolarHBondContact OE1-OG 2.98Å; E273-S275 WeakPolarHBondContact OE2-CB 3.47Å; E273-S275 PolarHBondContact OE2-N 3.22Å; E273-S275 PolarHBondContact OE2-OG 2.84Å; S275-N305 WeakPolarHBondContact OG-CB 3.38Å; S275-N305 PolarHBondContact OG-N 2.7Å; S275-N305 PolarHBondContact OG-ND2 3.15Å; S275-N305 PolarHBondContact OG-OD1 3.42Å
276	M	97.9	Very high	97.8	Very high	5 Å²	5	27.1 Å²	27.1	3%	0.025	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-10.4	-179.1	-63.1	-58.6	-58	0	0	113.8	F105 F107 M246 I248 E274 V280 P391 A392	F105-M276 HydrophobicContact CD1-CE 4.26Å; F105-M276 HydrophobicContact CD1-SD 4.34Å; F105-M276 HydrophobicContact CE1-CE 3.92Å; F105-M276 HydrophobicContact CE1-SD 4.07Å; F107-M276 HydrophobicContact CE1-CE 4.48Å; F107-M276 HydrophobicContact CE2-CE 4.43Å; F107-M276 HydrophobicContact CZ-CE 3.65Å; F107-M276 HydrophobicContact CZ-SD 4.12Å; M246-M276 HydrophobicContact CB-CB 3.88Å; M246-M276 HydrophobicContact CG-CB 4.01Å; M246-M276 WeakPolarHBondContact O-CB 3.33Å; M246-M276 HydrophobicContact SD-CB 4.22Å; I248-M276 HydrophobicContact CB-CG 3.82Å; I248-M276 HydrophobicContact CB-SD 4.19Å; I248-M276 HydrophobicContact CD1-SD 4.05Å; I248-M276 HydrophobicContact CG1-CG 4.22Å; I248-M276 HydrophobicContact CG1-SD 3.89Å; E274-M276 PolarHBondContact O-N 2.79Å; M276-V280 WeakPolarHBondContact O-CG2 3.07Å; M276-P391 HydrophobicContact CE-CG 4.25Å; M276-A392 HydrophobicContact CE-CB 3.5Å; M276-A392 VanDerWaalsContact CE-CB 3.5Å
277	S	98.1	Very high	97.8	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.4	-26.6	-177.6	37.5	0	0	0	0	112.7	E274 V280 L281	E274-S277 WeakPolarHBondContact CA-OG 3.49Å; E274-S277 PolarHBondContact O-N 2.99Å; E274-S277 PolarHBondContact O-OG 2.86Å; E274-S277 VanDerWaalsContact OE2-CB 3.23Å; E274-S277 WeakPolarHBondContact OE2-CB 3.48Å; E274-S277 PolarHBondContact OE2-OG 3.5Å; S277-V280 WeakPolarHBondContact O-CB 3.25Å; S277-V280 PolarHBondContact O-N 3.15Å; S277-L281 PolarHBondContact O-N 3.07Å
278	F	98.3	Very high	97.8	Very high	2 Å²	2	17.9 Å²	17.9	1%	0.009	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	128.8	172.8	-176.3	-96.7	0	0	0	110.8	F154 M155 E274 V280 A304 A309 V310 F316 L352	F154-F278 AromaticContact CD1-CE2 3.68Å; F154-F278 HydrophobicContact CD1-CE2 3.68Å; F154-F278 AromaticContact CD1-CZ 3.83Å; F154-F278 HydrophobicContact CD1-CZ 3.83Å; F154-F278 AromaticContact CE1-CE2 3.47Å; F154-F278 HydrophobicContact CE1-CE2 3.47Å; F154-F278 VanDerWaalsContact CE1-CE2 3.47Å; F154-F278 AromaticContact CE1-CZ 3.64Å; F154-F278 HydrophobicContact CE1-CZ 3.64Å; M155-F278 HydrophobicContact SD-CD2 3.83Å; M155-F278 HydrophobicContact SD-CE2 3.46Å; M155-F278 WeakPolarHBondContact SD-CE2 3.34Å; E274-F278 HydrophobicContact CB-CB 4.23Å; E274-F278 VanDerWaalsContact O-CB 3.23Å; E274-F278 WeakPolarHBondContact O-CB 3.43Å; E274-F278 PolarHBondContact O-N 3.25Å; F278-V280 VanDerWaalsContact C-N 3.25Å; F278-A304 HydrophobicContact CB-CB 3.98Å; F278-A304 HydrophobicContact CG-CB 4.17Å; F278-A309 WeakPolarHBondContact O-CB 3.45Å; F278-V310 HydrophobicContact CD1-CG2 3.97Å; F278-V310 HydrophobicContact CE1-CG2 3.46Å; F278-V310 VanDerWaalsContact CE1-CG2 3.46Å; F278-F316 HydrophobicContact CD1-CE1 4.48Å; F278-F316 HydrophobicContact CD2-CZ 4.16Å; F278-F316 HydrophobicContact CE1-CE1 4.26Å; F278-F316 HydrophobicContact CE1-CZ 4.46Å; F278-F316 AromaticContact CE2-CZ 3.94Å; F278-F316 HydrophobicContact CE2-CZ 3.94Å; F278-F316 HydrophobicContact CZ-CE1 4.28Å; F278-F316 HydrophobicContact CZ-CZ 4.1Å; F278-L352 HydrophobicContact CZ-CD2 4.26Å
279	G	97.3	Very high	97.8	Very high	0 Å²	0	18 Å²	18	0%	0	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.3	16.6	-170.1	0	0	0	0	0	114.1	G285 F362	G279-G285 WeakPolarHBondContact CA-O 3.49Å; G279-G285 PolarHBondContact N-O 2.81Å; G279-F362 WeakPolarHBondContact O-CD1 3.44Å
280	V	97.9	Very high	97.8	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-133.1	-53.5	-177	-176.3	0	0	0	0	111.4	F107 M276 S277 F278 L365 R366 P391	F107-V280 HydrophobicContact CD2-CG2 3.75Å; F107-V280 HydrophobicContact CE2-CG2 4.13Å; M276-V280 WeakPolarHBondContact O-CG2 3.07Å; S277-V280 WeakPolarHBondContact O-CB 3.25Å; S277-V280 PolarHBondContact O-N 3.15Å; F278-V280 VanDerWaalsContact C-N 3.25Å; V280-L365 HydrophobicContact CB-CD2 4.36Å; V280-L365 HydrophobicContact CG1-CD2 4.23Å; V280-L365 HydrophobicContact CG2-CD2 3.99Å; V280-R366 WeakPolarHBondContact O-CD 3.45Å; V280-R366 PolarHBondContact O-NH1 3.26Å; V280-P391 HydrophobicContact CG1-CG 4.22Å; V280-P391 HydrophobicContact CG2-CG 3.91Å
281	L	98	Very high	97.8	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.005	9%	0.091	C	C	.	.	S	Bend	trans	-102.2	152.6	-174.2	-63.1	-174	0	0	0	111.9	M246 I253 S277 G285 K286 G287 V288 H291 F389	M246-L281 HydrophobicContact CE-CD1 3.72Å; M246-L281 HydrophobicContact CE-CD2 4.14Å; M246-L281 HydrophobicContact CE-CG 3.99Å; I253-L281 HydrophobicContact CD1-CD1 3.66Å; I253-L281 HydrophobicContact CG1-CD1 4.33Å; S277-L281 PolarHBondContact O-N 3.07Å; L281-G285 CarbonylContact O-C 3.59Å; L281-G285 WeakPolarHBondContact O-CA 3.28Å; L281-K286 PolarHBondContact O-N 3.1Å; L281-G287 PolarHBondContact O-N 3.22Å; L281-V288 HydrophobicContact CD1-CG1 3.69Å; L281-H291 HydrophobicContact CB-CB 4.15Å; L281-F389 HydrophobicContact CD1-CE2 4.35Å; L281-F389 HydrophobicContact CD2-CD2 3.54Å; L281-F389 HydrophobicContact CD2-CE2 3.8Å; L281-F389 HydrophobicContact CD2-CG 4.35Å
282	G	96.8	Very high	97.8	Very high	7 Å²	7	22.3 Å²	22.3	7%	0.072	11%	0.106	C	C	.	.	S	Bend	trans	87.9	165.2	-172.3	0	0	0	0	0	112.9	H284 E290 R366	G282-H284 VanDerWaalsContact C-N 3.3Å; G282-E290 VanDerWaalsContact CA-OE2 3.3Å; G282-E290 WeakPolarHBondContact CA-OE2 3.4Å; G282-R366 PolarHBondContact O-NH1 3.16Å
283	E	95.5	Very high	97.7	Very high	141 Å²	141	25.4 Å²	25.4	66%	0.659	14%	0.138	S	C	*	.	S	Bend	trans	-64.7	-37	178	-174.7	176.6	-171.3	0	0	111.5	E290	E283-E290 PolarHBondContact N-OE2 3.01Å
284	H	96.6	Very high	97.7	Very high	72 Å²	72	26.1 Å²	26.1	33%	0.333	14%	0.143	S	C	.	.	S	Bend	trans	-111.8	16.1	-178.2	-50.6	85.5	0	0	0	112.2	F154 G282 K286 E290 F362	F154-H284 WeakPolarHBondContact CZ-O 3.4Å; G282-H284 VanDerWaalsContact C-N 3.3Å; H284-K286 HydrophobicContact CB-CG 4.39Å; H284-K286 PolarHBondContact O-N 3.21Å; H284-E290 WeakPolarHBondContact CB-OE1 3.24Å; H284-E290 IonicContact CE1-OE1 3.65Å; H284-E290 IonicContact CG-OE1 3.92Å; H284-E290 PolarHBondContact N-OE1 2.59Å; H284-E290 PolarHBondContact N-OE2 3.21Å; H284-E290 IonicContact ND1-OE1 3.85Å; H284-E290 PolarHBondContact ND1-OE1 2.85Å; H284-F362 WeakPolarHBondContact O-CE2 3.43Å; H284-F362 WeakPolarHBondContact O-CZ 3.25Å
285	G	97.2	Very high	97.6	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.165	C	C	.	.	S	Bend	trans	72.6	25.3	174.7	0	0	0	0	0	114.4	G279 L281 G287 E290	G279-G285 WeakPolarHBondContact CA-O 3.49Å; G279-G285 PolarHBondContact N-O 2.81Å; L281-G285 CarbonylContact O-C 3.59Å; L281-G285 WeakPolarHBondContact O-CA 3.28Å; G285-G287 VanDerWaalsContact C-N 3.32Å; G285-G287 PolarHBondContact O-N 2.88Å; G285-E290 PolarHBondContact N-OE2 3.45Å
286	K	97.5	Very high	97.6	Very high	21 Å²	21	31 Å²	31	9%	0.091	17%	0.168	C	C	.	.			trans	-82.7	-8.5	-176.1	-59.3	179.9	-166.9	-147.5	0	114.5	F154 M155 K156 L281 H284 E290	F154-K286 HydrophobicContact CD1-CG 4.39Å; F154-K286 HydrophobicContact CE1-CG 3.98Å; F154-K286 WeakPolarHBondContact O-CD 3.32Å; F154-K286 WeakPolarHBondContact O-CE 3.31Å; F154-K286 PolarHBondContact O-NZ 2.97Å; M155-K286 HydrophobicContact SD-CB 4.36Å; K156-K286 VanDerWaalsContact CE-NZ 3.32Å; L281-K286 PolarHBondContact O-N 3.1Å; H284-K286 HydrophobicContact CB-CG 4.39Å; H284-K286 PolarHBondContact O-N 3.21Å; K286-E290 HydrophobicContact CB-CB 3.94Å; K286-E290 PolarHBondContact N-OE2 3.49Å; K286-E290 VanDerWaalsContact N-OE2 3.12Å
287	G	98	Very high	97.5	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.186	C	C	.	.			trans	107.9	-157.8	179.9	0	0	0	0	0	113.6	E274 L281 G285 T289 E290 H291	E274-G287 VanDerWaalsContact OE2-CA 3.22Å; E274-G287 WeakPolarHBondContact OE2-CA 3.19Å; L281-G287 PolarHBondContact O-N 3.22Å; G285-G287 VanDerWaalsContact C-N 3.32Å; G285-G287 PolarHBondContact O-N 2.88Å; G287-T289 VanDerWaalsContact C-N 3.34Å; G287-T289 PolarHBondContact O-N 3.24Å; G287-E290 PolarHBondContact O-N 3.48Å; G287-H291 PolarHBondContact O-N 3.32Å; G287-H291 VanDerWaalsContact O-N 3.11Å
288	V	98.3	Very high	97.5	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-72.1	-27.6	-170.9	-64	0	0	0	0	113.4	G245 I253 L256 L272 E274 L281 H291 F292	G245-V288 VanDerWaalsContact C-CG1 3.5Å; G245-V288 WeakPolarHBondContact O-CG1 3.4Å; I253-V288 HydrophobicContact CD1-CG1 3.75Å; I253-V288 HydrophobicContact CG1-CG1 3.66Å; L256-V288 HydrophobicContact CD2-CB 4.44Å; L256-V288 HydrophobicContact CD2-CG2 3.9Å; L272-V288 HydrophobicContact CD1-CG2 4Å; L272-V288 HydrophobicContact CD2-CG2 3.77Å; L272-V288 HydrophobicContact CG-CG2 4.34Å; E274-V288 VanDerWaalsContact CD-N 3.33Å; E274-V288 WeakPolarHBondContact OE1-CG2 3.31Å; E274-V288 PolarHBondContact OE1-N 2.84Å; E274-V288 WeakPolarHBondContact OE2-CG2 3.45Å; E274-V288 PolarHBondContact OE2-N 3.08Å; L281-V288 HydrophobicContact CD1-CG1 3.69Å; V288-H291 WeakPolarHBondContact O-CB 3.43Å; V288-H291 PolarHBondContact O-N 3.29Å; V288-F292 HydrophobicContact CB-CD2 4.32Å; V288-F292 HydrophobicContact CB-CE2 4.41Å; V288-F292 WeakPolarHBondContact O-CD2 3.41Å; V288-F292 PolarHBondContact O-N 2.9Å
289	T	97.9	Very high	97.5	Very high	5 Å²	5	36.4 Å²	36.4	3%	0.031	20%	0.197	C	C	.	.	H	α-helix	trans	-57.5	-51.2	174.3	49.1	0	0	0	0	111.3	L256 L272 E274 G287 G293 V294 I299 I302	L256-T289 HydrophobicContact CD2-CG2 3.9Å; L272-T289 HydrophobicContact CD2-CG2 3.84Å; E274-T289 PolarHBondContact OE1-N 3.04Å; G287-T289 VanDerWaalsContact C-N 3.34Å; G287-T289 PolarHBondContact O-N 3.24Å; T289-G293 PolarHBondContact O-N 3.32Å; T289-G293 VanDerWaalsContact O-N 3.13Å; T289-V294 PolarHBondContact O-N 2.96Å; T289-I299 HydrophobicContact CG2-CG1 3.79Å; T289-I302 HydrophobicContact CG2-CD1 4.32Å
290	E	97.9	Very high	97.5	Very high	44 Å²	44	38.5 Å²	38.5	21%	0.206	21%	0.208	C	C	.	.	H	α-helix	trans	-68.1	-38.5	175.9	-177.7	176.3	-128.8	0	0	112.1	G282 E283 H284 G285 K286 G287 F292 G293	G282-E290 VanDerWaalsContact CA-OE2 3.3Å; G282-E290 WeakPolarHBondContact CA-OE2 3.4Å; E283-E290 PolarHBondContact N-OE2 3.01Å; H284-E290 WeakPolarHBondContact CB-OE1 3.24Å; H284-E290 IonicContact CE1-OE1 3.65Å; H284-E290 IonicContact CG-OE1 3.92Å; H284-E290 PolarHBondContact N-OE1 2.59Å; H284-E290 PolarHBondContact N-OE2 3.21Å; H284-E290 IonicContact ND1-OE1 3.85Å; H284-E290 PolarHBondContact ND1-OE1 2.85Å; G285-E290 PolarHBondContact N-OE2 3.45Å; K286-E290 HydrophobicContact CB-CB 3.94Å; K286-E290 PolarHBondContact N-OE2 3.49Å; K286-E290 VanDerWaalsContact N-OE2 3.12Å; G287-E290 PolarHBondContact O-N 3.48Å; E290-F292 VanDerWaalsContact C-N 3.31Å; E290-F292 PolarHBondContact O-N 3.28Å; E290-G293 PolarHBondContact O-N 3.22Å
291	H	98.1	Very high	97.5	Very high	80 Å²	80	38.5 Å²	38.5	37%	0.37	21%	0.208	S	C	.	.	H	α-helix	trans	-56.4	-43.2	178.2	-179.7	69.8	0	0	0	113.3	I253 L281 G287 V288	I253-H291 VanDerWaalsContact CD1-CD2 3.5Å; I253-H291 WeakPolarHBondContact CD1-CD2 2.95Å; L281-H291 HydrophobicContact CB-CB 4.15Å; G287-H291 PolarHBondContact O-N 3.32Å; G287-H291 VanDerWaalsContact O-N 3.11Å; V288-H291 WeakPolarHBondContact O-CB 3.43Å; V288-H291 PolarHBondContact O-N 3.29Å
292	F	98.4	Very high	97.5	Very high	75 Å²	75	38.6 Å²	38.6	33%	0.329	21%	0.209	S	C	.	.	H	α-helix	trans	-92.3	-3	-180	-70.2	-63.9	0	0	0	113.9	I253 C254 L256 P257 V288 E290 V294	I253-F292 HydrophobicContact CD1-CE2 3.52Å; I253-F292 HydrophobicContact CD1-CZ 3.65Å; I253-F292 HydrophobicContact CG1-CE2 3.97Å; I253-F292 HydrophobicContact CG1-CZ 4.21Å; I253-F292 HydrophobicContact CG2-CZ 4.45Å; C254-F292 WeakPolarHBondContact O-CE2 3.38Å; L256-F292 HydrophobicContact CB-CD2 3.76Å; L256-F292 HydrophobicContact CB-CE2 4.11Å; P257-F292 HydrophobicContact CG-CB 3.93Å; P257-F292 HydrophobicContact CG-CD1 3.94Å; P257-F292 HydrophobicContact CG-CG 3.9Å; V288-F292 HydrophobicContact CB-CD2 4.32Å; V288-F292 HydrophobicContact CB-CE2 4.41Å; V288-F292 WeakPolarHBondContact O-CD2 3.41Å; V288-F292 PolarHBondContact O-N 2.9Å; E290-F292 VanDerWaalsContact C-N 3.31Å; E290-F292 PolarHBondContact O-N 3.28Å; F292-V294 HydrophobicContact CB-CG2 3.94Å; F292-V294 PolarHBondContact O-N 3Å
293	G	97.9	Very high	97.6	Very high	67 Å²	67	38.2 Å²	38.2	69%	0.691	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.6	26.6	-172.9	0	0	0	0	0	113.4	T289 E290	T289-G293 PolarHBondContact O-N 3.32Å; T289-G293 VanDerWaalsContact O-N 3.13Å; E290-G293 PolarHBondContact O-N 3.22Å
294	V	98.2	Very high	97.7	Very high	21 Å²	21	31.5 Å²	31.5	13%	0.127	17%	0.174	C	C	.	.			trans	-75	135.5	174.5	167.9	0	0	0	0	108.5	L256 P257 V260 T289 F292 I296 D298	L256-V294 HydrophobicContact CD2-CB 4.03Å; L256-V294 HydrophobicContact CD2-CG1 4.14Å; L256-V294 HydrophobicContact CD2-CG2 4.07Å; L256-V294 HydrophobicContact CG-CG1 4.48Å; L256-V294 HydrophobicContact CG-CG2 4.22Å; P257-V294 HydrophobicContact CG-CG2 4.33Å; V260-V294 HydrophobicContact CG2-CG1 3.82Å; T289-V294 PolarHBondContact O-N 2.96Å; F292-V294 HydrophobicContact CB-CG2 3.94Å; F292-V294 PolarHBondContact O-N 3Å; V294-I296 PolarHBondContact O-N 2.86Å; V294-D298 HydrophobicContact CG1-CB 4.25Å
295	N	97.1	Very high	97.8	Very high	85 Å²	85	29.4 Å²	29.4	46%	0.455	17%	0.165	S	C	.	.			trans	-63.5	129.3	176.2	-173.9	7.4	0	0	0	109.3	D297 D298	N295-D297 PolarHBondContact O-N 3.17Å; N295-D297 VanDerWaalsContact O-N 3.16Å; N295-D297 PolarHBondContact OD1-N 2.86Å; N295-D298 VanDerWaalsContact O-CB 3.26Å; N295-D298 WeakPolarHBondContact O-CB 3.35Å; N295-D298 PolarHBondContact O-N 3.11Å
296	I	96.3	Very high	97.8	Very high	25 Å²	25	29.4 Å²	29.4	13%	0.128	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-60.6	-29.3	-177.3	-162.1	166.1	0	0	0	112.2	M155 T157 V294 D298 I299 I302	M155-I296 HydrophobicContact CB-CD1 4.3Å; M155-I296 HydrophobicContact CE-CD1 4.26Å; M155-I296 WeakPolarHBondContact O-CD1 3.3Å; T157-I296 HydrophobicContact CG2-CD1 3.44Å; T157-I296 VanDerWaalsContact CG2-CD1 3.44Å; T157-I296 HydrophobicContact CG2-CG1 4.04Å; V294-I296 PolarHBondContact O-N 2.86Å; I296-D298 PolarHBondContact O-N 3.23Å; I296-I299 PolarHBondContact O-N 2.97Å; I296-I299 VanDerWaalsContact O-N 3.1Å; I296-I302 HydrophobicContact CD1-CD1 3.77Å; I296-I302 HydrophobicContact CG1-CD1 3.43Å; I296-I302 VanDerWaalsContact CG1-CD1 3.43Å
297	D	95.9	Very high	97.7	Very high	76 Å²	76	31.5 Å²	31.5	41%	0.406	18%	0.175	S	C	.	.	G	3₁₀ helix	trans	-67.2	-14.2	175.6	-70.3	-39.7	0	0	0	114	N295 I299	N295-D297 PolarHBondContact O-N 3.17Å; N295-D297 VanDerWaalsContact O-N 3.16Å; N295-D297 PolarHBondContact OD1-N 2.86Å; D297-I299 PolarHBondContact O-N 2.92Å
298	D	97.5	Very high	97.5	Very high	35 Å²	35	32 Å²	32	19%	0.187	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-79	-5.6	175	-59.2	-17.9	0	0	0	111.4	V260 K263 Y264 V294 N295 I296	V260-D298 HydrophobicContact CG1-CB 4.02Å; V260-D298 HydrophobicContact CG2-CB 4.38Å; K263-D298 WeakPolarHBondContact CD-O 3.47Å; K263-D298 VanDerWaalsContact CE-O 3.29Å; K263-D298 WeakPolarHBondContact CE-O 3.46Å; K263-D298 PolarHBondContact NZ-O 2.9Å; Y264-D298 HydrophobicContact CE2-CB 4.43Å; Y264-D298 PolarHBondContact OH-OD1 3.43Å; V294-D298 HydrophobicContact CG1-CB 4.25Å; N295-D298 VanDerWaalsContact O-CB 3.26Å; N295-D298 WeakPolarHBondContact O-CB 3.35Å; N295-D298 PolarHBondContact O-N 3.11Å; I296-D298 PolarHBondContact O-N 3.23Å
299	I	98.3	Very high	97.4	Very high	9 Å²	9	32.1 Å²	32.1	5%	0.046	18%	0.178	C	C	.	.			trans	-110.7	126.8	176.5	-49.4	-56.2	0	0	0	109.6	L256 V260 I270 L272 T289 I296 D297 I302	L256-I299 HydrophobicContact CD1-CD1 3.78Å; L256-I299 HydrophobicContact CG-CD1 4.46Å; V260-I299 HydrophobicContact CG2-CD1 4.17Å; I270-I299 HydrophobicContact CB-CD1 4.46Å; I270-I299 HydrophobicContact CD1-CD1 4.3Å; I270-I299 HydrophobicContact CG2-CD1 4.22Å; I270-I299 HydrophobicContact CG2-CG2 4.26Å; L272-I299 HydrophobicContact CB-CG2 3.67Å; L272-I299 HydrophobicContact CD2-CG1 4.31Å; L272-I299 HydrophobicContact CD2-CG2 4.2Å; T289-I299 HydrophobicContact CG2-CG1 3.79Å; I296-I299 PolarHBondContact O-N 2.97Å; I296-I299 VanDerWaalsContact O-N 3.1Å; D297-I299 PolarHBondContact O-N 2.92Å; I299-I302 HydrophobicContact CB-CD1 4.23Å; I299-I302 HydrophobicContact CB-CG1 4.02Å; I299-I302 HydrophobicContact CG2-CD1 4.31Å; I299-I302 HydrophobicContact CG2-CG1 3.57Å
300	D	97.9	Very high	97.2	Very high	44 Å²	44	31.9 Å²	31.9	24%	0.235	18%	0.177	C	C	.	.	S	Bend	trans	-80.4	-29.2	-171.3	-57.1	-93	0	0	0	113.1	K263 R269 I270	K263-D300 IonicContact NZ-OD1 3.12Å; K263-D300 PolarHBondContact NZ-OD1 3.35Å; K263-D300 IonicContact NZ-OD2 3.19Å; K263-D300 PolarHBondContact NZ-OD2 3.26Å; R269-D300 WeakPolarHBondContact CA-OD2 3.38Å; R269-D300 HydrophobicContact CB-CB 4.08Å; R269-D300 VanDerWaalsContact CB-OD2 3.25Å; R269-D300 WeakPolarHBondContact CB-OD2 3.46Å; R269-D300 HydrophobicContact CG-CB 4.43Å; I270-D300 PolarHBondContact N-OD2 3.46Å; I270-D300 PolarHBondContact O-N 3.1Å; I270-D300 VanDerWaalsContact O-N 3.11Å
301	L	98.2	Very high	96.8	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.005	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	124.9	175.5	-176.4	75.5	0	0	0	109	A173 Y177 I270 F271 L272 C317 V323	A173-L301 HydrophobicContact CB-CD2 3.95Å; Y177-L301 HydrophobicContact CD2-CD2 4.36Å; Y177-L301 HydrophobicContact CE2-CD1 4.17Å; Y177-L301 HydrophobicContact CE2-CD2 3.93Å; I270-L301 PolarHBondContact O-N 3.19Å; F271-L301 WeakPolarHBondContact CA-O 3.49Å; F271-L301 HydrophobicContact CD1-CB 3.44Å; F271-L301 VanDerWaalsContact CD1-CB 3.44Å; F271-L301 HydrophobicContact CD1-CD2 4Å; F271-L301 HydrophobicContact CD1-CG 4.38Å; F271-L301 HydrophobicContact CD2-CD2 4.34Å; F271-L301 HydrophobicContact CE1-CB 3.82Å; F271-L301 HydrophobicContact CE1-CD2 4.21Å; F271-L301 HydrophobicContact CG-CB 4.17Å; F271-L301 HydrophobicContact CG-CD2 4.07Å; F271-L301 HydrophobicContact CZ-CD2 4.48Å; L272-L301 PolarHBondContact N-O 2.85Å; L301-C317 HydrophobicContact CD1-CB 3.8Å; L301-V323 HydrophobicContact CD1-CG1 3.89Å
302	I	98.7	Very high	96.7	Very high	2 Å²	2	27.4 Å²	27.4	1%	0.01	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	133.1	171.2	-61.9	166.2	0	0	0	107.9	M155 L272 E274 T289 I296 I299 C317 C318	M155-I302 HydrophobicContact CE-CD1 4.38Å; M155-I302 HydrophobicContact CE-CG2 4Å; L272-I302 CarbonylContact O-C 3.58Å; L272-I302 WeakPolarHBondContact O-CA 3.35Å; E274-I302 HydrophobicContact CG-CG2 3.82Å; T289-I302 HydrophobicContact CG2-CD1 4.32Å; I296-I302 HydrophobicContact CD1-CD1 3.77Å; I296-I302 HydrophobicContact CG1-CD1 3.43Å; I296-I302 VanDerWaalsContact CG1-CD1 3.43Å; I299-I302 HydrophobicContact CB-CD1 4.23Å; I299-I302 HydrophobicContact CB-CG1 4.02Å; I299-I302 HydrophobicContact CG2-CD1 4.31Å; I299-I302 HydrophobicContact CG2-CG1 3.57Å; I302-C317 CarbonylContact O-C 3.5Å; I302-C317 WeakPolarHBondContact O-CA 3.39Å; I302-C318 PolarHBondContact N-O 2.99Å; I302-C318 VanDerWaalsContact N-O 3.17Å; I302-C318 PolarHBondContact O-N 3.1Å
303	S	98.4	Very high	96.6	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	146.7	174.4	175.7	0	0	0	0	110	T169 M170 L272 E273 E274 F316	T169-S303 VanDerWaalsContact CG2-OG 3.28Å; T169-S303 WeakPolarHBondContact CG2-OG 3.45Å; M170-S303 WeakPolarHBondContact SD-CB 3.31Å; L272-S303 PolarHBondContact O-N 3.11Å; E273-S303 CarbonylContact C-O 3.53Å; E273-S303 WeakPolarHBondContact CA-O 3.41Å; E274-S303 PolarHBondContact N-O 2.9Å; S303-F316 CarbonylContact C-O 3.53Å; S303-F316 VanDerWaalsContact CA-O 3.25Å; S303-F316 WeakPolarHBondContact CA-O 3.32Å
304	A	98.2	Very high	96.5	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	151.8	166.1	0	0	0	0	0	111.6	E274 F278 G315 F316	E274-A304 HydrophobicContact CB-CB 4.11Å; F278-A304 HydrophobicContact CB-CB 3.98Å; F278-A304 HydrophobicContact CG-CB 4.17Å; A304-G315 CarbonylContact O-C 3.58Å; A304-G315 WeakPolarHBondContact O-CA 3.46Å; A304-F316 HydrophobicContact CB-CD1 4.41Å; A304-F316 HydrophobicContact CB-CE1 3.7Å; A304-F316 HydrophobicContact CB-CE2 4.48Å; A304-F316 HydrophobicContact CB-CZ 3.74Å; A304-F316 PolarHBondContact N-O 2.78Å; A304-F316 WeakPolarHBondContact O-CD1 3.12Å; A304-F316 PolarHBondContact O-N 2.85Å
305	N	97.4	Very high	96.5	Very high	28 Å²	28	22.9 Å²	22.9	15%	0.15	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	137.4	173.4	-66.8	-5.6	0	0	0	111.2	G166 S275 E307	G166-N305 VanDerWaalsContact CA-OD1 3.31Å; G166-N305 WeakPolarHBondContact CA-OD1 3.21Å; G166-N305 PolarHBondContact O-OD1 3.44Å; S275-N305 WeakPolarHBondContact OG-CB 3.38Å; S275-N305 PolarHBondContact OG-N 2.7Å; S275-N305 PolarHBondContact OG-ND2 3.15Å; S275-N305 PolarHBondContact OG-OD1 3.42Å; N305-E307 HydrophobicContact CB-CB 4.35Å; N305-E307 PolarHBondContact O-N 3Å
306	M	97.2	Very high	96.6	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-6.1	171.8	-64.1	-175.7	-70.7	0	0	112.6	L147 L151 I162 N308 V310 S312 G314 F316 L340 A348	L147-M306 HydrophobicContact CD2-CE 4.39Å; L147-M306 HydrophobicContact CD2-SD 4.05Å; L151-M306 HydrophobicContact CD1-SD 4.32Å; I162-M306 HydrophobicContact CG2-CE 4.46Å; M306-N308 PolarHBondContact O-N 2.98Å; M306-V310 HydrophobicContact CB-CB 3.97Å; M306-V310 HydrophobicContact CB-CG1 4.48Å; M306-V310 HydrophobicContact CB-CG2 4.33Å; M306-V310 HydrophobicContact CG-CB 4.3Å; M306-V310 HydrophobicContact CG-CG1 4.44Å; M306-V310 HydrophobicContact CG-CG2 4.38Å; M306-V310 CarbonylContact O-C 3.57Å; M306-V310 WeakPolarHBondContact O-CB 3.37Å; M306-S312 PolarHBondContact O-N 3.39Å; M306-G314 PolarHBondContact N-O 3.27Å; M306-F316 HydrophobicContact CG-CD1 4Å; M306-L340 HydrophobicContact CE-CD2 4.03Å; M306-A348 HydrophobicContact SD-CB 4.11Å
307	E	95.1	Very high	96.7	Very high	64 Å²	64	17.6 Å²	17.6	30%	0.299	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-9.6	-177.4	-68.6	165.5	-173.6	0	0	114.4	G166 N305 S312 I313 G314	G166-E307 WeakPolarHBondContact CA-OE1 3.43Å; G166-E307 PolarHBondContact N-OE1 3.48Å; N305-E307 HydrophobicContact CB-CB 4.35Å; N305-E307 PolarHBondContact O-N 3Å; E307-S312 WeakPolarHBondContact CA-O 3.45Å; E307-I313 HydrophobicContact CG-CB 4.35Å; E307-I313 HydrophobicContact CG-CG1 3.97Å; E307-I313 WeakPolarHBondContact OE1-CG1 3.48Å; E307-G314 PolarHBondContact OE1-N 3.47Å
308	N	95.3	Very high	96.8	Very high	12 Å²	12	14 Å²	14	6%	0.064	8%	0.075	C	C	.	.	S	Bend	trans	-107.2	-90.1	-177.8	-53.7	-90.3	0	0	0	111	F105 F107 M306 V310	F105-N308 HydrophobicContact CB-CB 4.35Å; F105-N308 WeakPolarHBondContact CB-OD1 3.46Å; F105-N308 WeakPolarHBondContact CG-OD1 3.43Å; F105-N308 CarbonylContact O-C 3.59Å; F105-N308 VanDerWaalsContact O-C 3.3Å; F105-N308 WeakPolarHBondContact O-CA 3.31Å; F105-N308 VanDerWaalsContact O-O 3.12Å; F107-N308 HydrophobicContact CD2-CB 3.93Å; F107-N308 HydrophobicContact CE2-CB 3.54Å; F107-N308 HydrophobicContact CZ-CB 4.04Å; M306-N308 PolarHBondContact O-N 2.98Å; N308-V310 VanDerWaalsContact C-N 3.33Å; N308-V310 PolarHBondContact O-N 2.93Å
309	A	94.9	Very high	96.8	Very high	1 Å²	1	12.8 Å²	12.8	1%	0.008	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-20.8	-174.6	0	0	0	0	0	114.5	F107 L108 F278 M355	F107-A309 HydrophobicContact CD2-CB 4.46Å; L108-A309 HydrophobicContact CD1-CB 3.91Å; L108-A309 HydrophobicContact CG-CB 4.18Å; F278-A309 WeakPolarHBondContact O-CB 3.45Å; A309-M355 HydrophobicContact CB-CE 4.19Å; A309-M355 WeakPolarHBondContact O-CE 3.23Å
310	V	94.1	Very high	96.7	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.9	15.5	-162.6	-156.8	0	0	0	0	113.6	F278 M306 N308 S312 A348 A351 L352 M355	F278-V310 HydrophobicContact CD1-CG2 3.97Å; F278-V310 HydrophobicContact CE1-CG2 3.46Å; F278-V310 VanDerWaalsContact CE1-CG2 3.46Å; M306-V310 HydrophobicContact CB-CB 3.97Å; M306-V310 HydrophobicContact CB-CG1 4.48Å; M306-V310 HydrophobicContact CB-CG2 4.33Å; M306-V310 HydrophobicContact CG-CB 4.3Å; M306-V310 HydrophobicContact CG-CG1 4.44Å; M306-V310 HydrophobicContact CG-CG2 4.38Å; M306-V310 CarbonylContact O-C 3.57Å; M306-V310 WeakPolarHBondContact O-CB 3.37Å; N308-V310 VanDerWaalsContact C-N 3.33Å; N308-V310 PolarHBondContact O-N 2.93Å; V310-S312 WeakPolarHBondContact O-CB 3.46Å; V310-S312 PolarHBondContact O-N 3.24Å; V310-A348 HydrophobicContact CG1-CB 3.86Å; V310-A351 HydrophobicContact CG1-CB 4.01Å; V310-A351 WeakPolarHBondContact O-CB 3.14Å; V310-L352 HydrophobicContact CG1-CG 4.46Å; V310-M355 HydrophobicContact CB-CE 4.42Å; V310-M355 HydrophobicContact CG2-CE 4.15Å
311	A	90.6	Very high	96.7	Very high	13 Å²	13	17.1 Å²	17.1	11%	0.107	9%	0.089	C	C	.	.	S	Bend	trans	48.1	33.4	173.6	0	0	0	0	0	115	L110 L111 V116 A351	L110-A311 VanDerWaalsContact C-CB 3.49Å; L110-A311 HydrophobicContact CB-CB 3.62Å; L111-A311 HydrophobicContact CB-CB 4.49Å; V116-A311 HydrophobicContact CG1-CB 4.29Å; A311-A351 HydrophobicContact CB-CB 4.37Å
312	S	95.3	Very high	96.5	Very high	17 Å²	17	23.6 Å²	23.6	12%	0.119	12%	0.117	C	C	.	.	S	Bend	trans	-143.5	-168.2	-176.6	-165.7	0	0	0	0	110	M306 E307 V310 L344	M306-S312 PolarHBondContact O-N 3.39Å; E307-S312 WeakPolarHBondContact CA-O 3.45Å; V310-S312 WeakPolarHBondContact O-CB 3.46Å; V310-S312 PolarHBondContact O-N 3.24Å; S312-L344 WeakPolarHBondContact OG-CB 3.44Å; S312-L344 PolarHBondContact OG-O 3.36Å
313	I	95.1	Very high	96.4	Very high	68 Å²	68	24.3 Å²	24.3	35%	0.349	12%	0.122	S	C	.	.	S	Bend	trans	-122.8	159.7	171.6	-171.9	170.6	0	0	0	109.1	E307 L340 L344	E307-I313 HydrophobicContact CG-CB 4.35Å; E307-I313 HydrophobicContact CG-CG1 3.97Å; E307-I313 WeakPolarHBondContact OE1-CG1 3.48Å; I313-L340 HydrophobicContact CG2-CD1 3.68Å; I313-L340 WeakPolarHBondContact O-CD1 3.35Å; I313-L344 HydrophobicContact CG2-CB 4.46Å; I313-L344 HydrophobicContact CG2-CD1 3.28Å; I313-L344 HydrophobicContact CG2-CD2 4.41Å; I313-L344 HydrophobicContact CG2-CG 4.23Å
314	G	96.6	Very high	96.3	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.122	C	C	.	.			trans	104	-171.5	180	0	0	0	0	0	112.2	Y163 M306 E307	Y163-G314 WeakPolarHBondContact O-CA 3.29Å; M306-G314 PolarHBondContact N-O 3.27Å; E307-G314 PolarHBondContact OE1-N 3.47Å
315	G	97.8	Very high	96.2	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	173.1	175.4	0	0	0	0	0	110.4	I162 Y163 T169 A304	I162-G315 CarbonylContact C-O 3.13Å; I162-G315 WeakPolarHBondContact CA-O 3.41Å; Y163-G315 PolarHBondContact N-O 3Å; Y163-G315 PolarHBondContact O-N 2.75Å; Y163-G315 VanDerWaalsContact O-N 3.14Å; T169-G315 WeakPolarHBondContact OG1-CA 3.16Å; A304-G315 CarbonylContact O-C 3.58Å; A304-G315 WeakPolarHBondContact O-CA 3.46Å
316	F	98.6	Very high	96.1	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	155.1	176.3	68.4	-88.5	0	0	0	110.7	L151 M155 I161 I162 F278 S303 A304 M306 C318	L151-F316 HydrophobicContact CD1-CB 3.74Å; L151-F316 HydrophobicContact CD1-CD1 4.05Å; L151-F316 HydrophobicContact CD1-CD2 4.42Å; L151-F316 HydrophobicContact CD1-CG 3.83Å; L151-F316 HydrophobicContact CD2-CD1 3.76Å; L151-F316 HydrophobicContact CD2-CD2 4.4Å; L151-F316 HydrophobicContact CD2-CE1 3.71Å; L151-F316 HydrophobicContact CD2-CE2 4.37Å; L151-F316 HydrophobicContact CD2-CG 4.11Å; L151-F316 HydrophobicContact CD2-CZ 4.03Å; L151-F316 HydrophobicContact CG-CG 4.45Å; M155-F316 HydrophobicContact CG-CE2 4.05Å; M155-F316 HydrophobicContact CG-CZ 4.41Å; I161-F316 CarbonylContact O-C 3.58Å; I161-F316 WeakPolarHBondContact O-CA 3.45Å; I161-F316 WeakPolarHBondContact O-CB 3.49Å; I162-F316 HydrophobicContact CG2-CB 4.13Å; F278-F316 HydrophobicContact CD1-CE1 4.48Å; F278-F316 HydrophobicContact CD2-CZ 4.16Å; F278-F316 HydrophobicContact CE1-CE1 4.26Å; F278-F316 HydrophobicContact CE1-CZ 4.46Å; F278-F316 AromaticContact CE2-CZ 3.94Å; F278-F316 HydrophobicContact CE2-CZ 3.94Å; F278-F316 HydrophobicContact CZ-CE1 4.28Å; F278-F316 HydrophobicContact CZ-CZ 4.1Å; S303-F316 CarbonylContact C-O 3.53Å; S303-F316 VanDerWaalsContact CA-O 3.25Å; S303-F316 WeakPolarHBondContact CA-O 3.32Å; A304-F316 HydrophobicContact CB-CD1 4.41Å; A304-F316 HydrophobicContact CB-CE1 3.7Å; A304-F316 HydrophobicContact CB-CE2 4.48Å; A304-F316 HydrophobicContact CB-CZ 3.74Å; A304-F316 PolarHBondContact N-O 2.78Å; A304-F316 WeakPolarHBondContact O-CD1 3.12Å; A304-F316 PolarHBondContact O-N 2.85Å; M306-F316 HydrophobicContact CG-CD1 4Å; F316-C318 HydrophobicContact CD2-CB 4.25Å; F316-C318 HydrophobicContact CE2-CB 4.35Å
317	C	98.6	Very high	96	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	148.9	159.5	-58.5	0	0	0	0	109.6	A160 I161 T169 L301 I302 I324 Q327	A160-C317 CarbonylContact C-O 3.58Å; A160-C317 WeakPolarHBondContact CA-O 3.48Å; A160-C317 WeakPolarHBondContact CB-O 3.44Å; I161-C317 HydrophobicContact CG2-CB 3.79Å; I161-C317 PolarHBondContact N-O 3.07Å; I161-C317 PolarHBondContact O-N 3.09Å; T169-C317 WeakPolarHBondContact CG2-SG 3.13Å; L301-C317 HydrophobicContact CD1-CB 3.8Å; I302-C317 CarbonylContact O-C 3.5Å; I302-C317 WeakPolarHBondContact O-CA 3.39Å; C317-I324 HydrophobicContact CB-CD1 4.4Å; C317-Q327 PolarHBondContact SG-NE2 3.41Å
318	C	98.4	Very high	96	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	154.9	176	67.6	0	0	0	0	111.2	T157 E159 A160 I302 F316	T157-C318 HydrophobicContact CG2-CB 4.26Å; T157-C318 WeakPolarHBondContact OG1-CB 3.49Å; E159-C318 VanDerWaalsContact O-CA 3.31Å; E159-C318 WeakPolarHBondContact O-CA 3.21Å; E159-C318 WeakPolarHBondContact O-CB 3.22Å; A160-C318 HydrophobicContact CB-CB 3.94Å; I302-C318 PolarHBondContact N-O 2.99Å; I302-C318 VanDerWaalsContact N-O 3.17Å; I302-C318 PolarHBondContact O-N 3.1Å; F316-C318 HydrophobicContact CD2-CB 4.25Å; F316-C318 HydrophobicContact CE2-CB 4.35Å
319	G	97.1	Very high	95.9	Very high	10 Å²	10	36.2 Å²	36.2	10%	0.103	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	161.7	-150.7	-175	0	0	0	0	0	111.9	E158 E159	E158-G319 PolarHBondContact N-O 2.94Å; E159-G319 PolarHBondContact N-O 3.49Å; E159-G319 VanDerWaalsContact N-O 3.07Å; E159-G319 PolarHBondContact O-N 3.47Å; E159-G319 VanDerWaalsContact O-N 3.09Å
320	R	97	Very high	95.8	Very high	109 Å²	109	38 Å²	38	41%	0.411	19%	0.192	S	C	.	.			trans	-73.1	146.9	178.1	-60.6	-172.4	-177.6	-175.8	0.5	111.8	E158 F322 V323 I324	E158-R320 WeakPolarHBondContact OE2-CA 3.2Å; E158-R320 WeakPolarHBondContact OE2-CB 3.33Å; R320-F322 VanDerWaalsContact C-N 3.32Å; R320-F322 HydrophobicContact CB-CD1 3.94Å; R320-F322 HydrophobicContact CB-CE1 3.65Å; R320-F322 HydrophobicContact CB-CZ 4.19Å; R320-F322 VanDerWaalsContact CD-CE1 3.47Å; R320-F322 HydrophobicContact CG-CE1 4.21Å; R320-F322 PolarHBondContact O-N 3.21Å; R320-V323 HydrophobicContact CB-CG2 4.28Å; R320-V323 WeakPolarHBondContact O-CA 3.44Å; R320-V323 WeakPolarHBondContact O-CB 3.17Å; R320-V323 PolarHBondContact O-N 2.72Å; R320-I324 PolarHBondContact O-N 2.89Å; R320-I324 VanDerWaalsContact O-N 3.14Å
321	S	97	Very high	95.7	Very high	34 Å²	34	38 Å²	38	24%	0.238	19%	0.192	C	C	.	.	H	α-helix	trans	-51.6	-47.5	-177.3	-72.7	0	0	0	0	112.5	E158 E159 V323 I324 D325	E158-S321 PolarHBondContact OE2-N 3.14Å; E159-S321 VanDerWaalsContact CD-OG 3.31Å; E159-S321 WeakPolarHBondContact CG-OG 3.44Å; E159-S321 VanDerWaalsContact OE1-CB 3.23Å; E159-S321 WeakPolarHBondContact OE1-CB 3.2Å; E159-S321 PolarHBondContact OE1-OG 3.22Å; S321-V323 PolarHBondContact O-N 2.85Å; S321-I324 PolarHBondContact O-N 2.77Å; S321-I324 VanDerWaalsContact O-N 3.11Å; S321-D325 WeakPolarHBondContact O-CB 3.12Å; S321-D325 PolarHBondContact O-N 2.94Å
322	F	95.8	Very high	95.8	Very high	137 Å²	137	43.3 Å²	43.3	60%	0.601	22%	0.215	S	C	*	.	H	α-helix	trans	-65.2	-26	-179.1	70.8	-97.4	0	0	0	113.7	R320 H326	R320-F322 VanDerWaalsContact C-N 3.32Å; R320-F322 HydrophobicContact CB-CD1 3.94Å; R320-F322 HydrophobicContact CB-CE1 3.65Å; R320-F322 HydrophobicContact CB-CZ 4.19Å; R320-F322 VanDerWaalsContact CD-CE1 3.47Å; R320-F322 HydrophobicContact CG-CE1 4.21Å; R320-F322 PolarHBondContact O-N 3.21Å; F322-H326 WeakPolarHBondContact O-CB 3.48Å; F322-H326 PolarHBondContact O-N 2.85Å
323	V	95.6	Very high	95.7	Very high	17 Å²	17	43.2 Å²	43.2	10%	0.103	22%	0.217	C	C	.	.	H	α-helix	trans	-70.9	-50.6	174.2	174.8	0	0	0	0	108.1	Y177 L301 R320 S321 H326 Q327	Y177-V323 HydrophobicContact CE1-CG1 3.94Å; Y177-V323 HydrophobicContact CE2-CG1 4.43Å; Y177-V323 WeakPolarHBondContact OH-CG1 3.44Å; Y177-V323 PolarHBondContact OH-O 2.89Å; L301-V323 HydrophobicContact CD1-CG1 3.89Å; R320-V323 HydrophobicContact CB-CG2 4.28Å; R320-V323 WeakPolarHBondContact O-CA 3.44Å; R320-V323 WeakPolarHBondContact O-CB 3.17Å; R320-V323 PolarHBondContact O-N 2.72Å; S321-V323 PolarHBondContact O-N 2.85Å; V323-H326 PolarHBondContact O-N 3.49Å; V323-Q327 PolarHBondContact O-N 2.86Å; V323-Q327 VanDerWaalsContact O-N 3.16Å
324	I	97.3	Very high	95.6	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-65.5	-43.8	-177.3	-59.5	-54.7	0	0	0	111.8	E159 I161 C317 R320 S321 H326 Q327 R328	E159-I324 HydrophobicContact CB-CB 4.01Å; E159-I324 HydrophobicContact CB-CG1 3.91Å; E159-I324 HydrophobicContact CB-CG2 4.11Å; I161-I324 HydrophobicContact CB-CG2 3.75Å; I161-I324 HydrophobicContact CG2-CD1 4.06Å; I161-I324 HydrophobicContact CG2-CG2 4.02Å; C317-I324 HydrophobicContact CB-CD1 4.4Å; R320-I324 PolarHBondContact O-N 2.89Å; R320-I324 VanDerWaalsContact O-N 3.14Å; S321-I324 PolarHBondContact O-N 2.77Å; S321-I324 VanDerWaalsContact O-N 3.11Å; I324-H326 VanDerWaalsContact C-N 3.34Å; I324-H326 PolarHBondContact O-N 3.31Å; I324-Q327 WeakPolarHBondContact O-CA 3.16Å; I324-Q327 WeakPolarHBondContact O-CB 3.44Å; I324-Q327 PolarHBondContact O-N 3.14Å; I324-R328 WeakPolarHBondContact O-CG 3.38Å; I324-R328 PolarHBondContact O-N 3.46Å
325	D	95.6	Very high	95.4	Very high	80 Å²	80	42 Å²	42	43%	0.428	21%	0.212	S	C	.	.	H	α-helix	trans	-58.3	-44.2	176.1	-80.5	-25.4	0	0	0	112.4	S321 Q327 R328 L329	S321-D325 WeakPolarHBondContact O-CB 3.12Å; S321-D325 PolarHBondContact O-N 2.94Å; D325-Q327 PolarHBondContact O-N 3.45Å; D325-R328 PolarHBondContact O-N 3.21Å; D325-L329 PolarHBondContact O-N 2.87Å
326	H	95.5	Very high	95.2	Very high	74 Å²	74	50.4 Å²	50.4	34%	0.343	25%	0.248	S	C	.	.	H	α-helix	trans	-60.8	-38.1	175.1	-179.5	81.7	0	0	0	111.3	A176 Y177 F322 V323 I324 L329 S330	A176-H326 PolarHBondContact O-NE2 3.1Å; Y177-H326 AromaticContact CD1-CD2 3.59Å; Y177-H326 HydrophobicContact CE1-CB 4.24Å; Y177-H326 AromaticContact CE1-CD2 3.44Å; Y177-H326 VanDerWaalsContact CE1-CD2 3.44Å; Y177-H326 WeakPolarHBondContact CE1-CD2 3.15Å; F322-H326 WeakPolarHBondContact O-CB 3.48Å; F322-H326 PolarHBondContact O-N 2.85Å; V323-H326 PolarHBondContact O-N 3.49Å; I324-H326 VanDerWaalsContact C-N 3.34Å; I324-H326 PolarHBondContact O-N 3.31Å; H326-L329 PolarHBondContact O-N 3.35Å; H326-S330 PolarHBondContact CD2-OG 3.38Å; H326-S330 PolarHBondContact NE2-OG 3.03Å; H326-S330 WeakPolarHBondContact O-CB 3.44Å; H326-S330 PolarHBondContact O-N 3.18Å; H326-S330 VanDerWaalsContact O-N 3.13Å; H326-S330 PolarHBondContact O-OG 2.84Å
327	Q	94.9	Very high	95	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-64.6	-40.2	176.4	-154.5	170	-7	0	0	112.4	I161 Y163 A173 Y177 C317 V323 I324 D325 L329 S330 G331	I161-Q327 HydrophobicContact CD1-CB 4.07Å; I161-Q327 HydrophobicContact CD1-CG 4.14Å; I161-Q327 HydrophobicContact CG2-CG 4.46Å; Y163-Q327 WeakPolarHBondContact OH-CG 3.49Å; Y163-Q327 PolarHBondContact OH-NE2 3.44Å; A173-Q327 VanDerWaalsContact CB-NE2 3.25Å; Y177-Q327 WeakPolarHBondContact OH-CB 3.25Å; Y177-Q327 PolarHBondContact OH-OE1 3.3Å; C317-Q327 PolarHBondContact SG-NE2 3.41Å; V323-Q327 PolarHBondContact O-N 2.86Å; V323-Q327 VanDerWaalsContact O-N 3.16Å; I324-Q327 WeakPolarHBondContact O-CA 3.16Å; I324-Q327 WeakPolarHBondContact O-CB 3.44Å; I324-Q327 PolarHBondContact O-N 3.14Å; D325-Q327 PolarHBondContact O-N 3.45Å; Q327-L329 PolarHBondContact O-N 3Å; Q327-S330 PolarHBondContact O-N 2.93Å; Q327-G331 WeakPolarHBondContact O-CA 3.4Å; Q327-G331 PolarHBondContact O-N 3.11Å
328	R	94.8	Very high	94.8	Very high	52 Å²	52	55.1 Å²	55.1	20%	0.196	28%	0.284	C	S	.	.	H	α-helix	trans	-59.6	-30	177.8	-67.6	-179.4	-173.5	-76.2	7.6	112.6	E148 A160 I161 I324 D325 Y334 C335	E148-R328 VanDerWaalsContact CD-NH2 3.34Å; E148-R328 IonicContact OE1-CZ 3.26Å; E148-R328 IonicContact OE1-NH1 2.69Å; E148-R328 PolarHBondContact OE1-NH1 3.16Å; E148-R328 IonicContact OE1-NH2 3.82Å; E148-R328 IonicContact OE2-CZ 2.68Å; E148-R328 IonicContact OE2-NH1 3.35Å; E148-R328 PolarHBondContact OE2-NH1 2.8Å; E148-R328 VanDerWaalsContact OE2-NH1 3.1Å; E148-R328 IonicContact OE2-NH2 2.91Å; E148-R328 PolarHBondContact OE2-NH2 2.61Å; A160-R328 PolarHBondContact O-NH2 3.49Å; A160-R328 VanDerWaalsContact O-NH2 3.1Å; I161-R328 HydrophobicContact CD1-CB 4.32Å; I161-R328 HydrophobicContact CD1-CG 3.57Å; I161-R328 HydrophobicContact CG1-CG 4.24Å; I324-R328 WeakPolarHBondContact O-CG 3.38Å; I324-R328 PolarHBondContact O-N 3.46Å; D325-R328 PolarHBondContact O-N 3.21Å; R328-Y334 HydrophobicContact CB-CE1 3.97Å; R328-Y334 HydrophobicContact CG-CE1 4.14Å; R328-Y334 PolarHBondContact NH1-OH 3.15Å; R328-Y334 WeakPolarHBondContact O-CD1 3.3Å; R328-C335 PolarHBondContact O-SG 3.04Å; R328-C335 VanDerWaalsContact O-SG 3.34Å
329	L	92.8	Very high	94.7	Very high	149 Å²	149	55.5 Å²	55.5	78%	0.78	29%	0.287	S	S	*	.	H	α-helix	trans	-89.6	-26.9	180	-62.1	176.6	0	0	0	113.6	D325 H326 Q327	D325-L329 PolarHBondContact O-N 2.87Å; H326-L329 PolarHBondContact O-N 3.35Å; Q327-L329 PolarHBondContact O-N 3Å
330	S	93.1	Very high	94.7	Very high	37 Å²	37	55.1 Å²	55.1	26%	0.259	28%	0.283	S	S	.	.	H	α-helix	trans	-121.8	-13.3	-167.4	63.3	0	0	0	0	115.3	A176 H326 Q327 Q332	A176-S330 WeakPolarHBondContact CB-OG 3.47Å; H326-S330 PolarHBondContact CD2-OG 3.38Å; H326-S330 PolarHBondContact NE2-OG 3.03Å; H326-S330 WeakPolarHBondContact O-CB 3.44Å; H326-S330 PolarHBondContact O-N 3.18Å; H326-S330 VanDerWaalsContact O-N 3.13Å; H326-S330 PolarHBondContact O-OG 2.84Å; Q327-S330 PolarHBondContact O-N 2.93Å; S330-Q332 PolarHBondContact O-N 2.89Å
331	G	93	Very high	94.7	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.274	C	S	.	.			trans	-73.4	106.7	177.4	0	0	0	0	0	111.6	Q327 G333 Y334 C335	Q327-G331 WeakPolarHBondContact O-CA 3.4Å; Q327-G331 PolarHBondContact O-N 3.11Å; G331-G333 PolarHBondContact O-N 3.44Å; G331-Y334 WeakPolarHBondContact O-CA 3.42Å; G331-Y334 WeakPolarHBondContact O-CB 3.37Å; G331-Y334 PolarHBondContact O-N 2.7Å; G331-C335 PolarHBondContact O-N 3.36Å; G331-C335 PolarHBondContact O-SG 2.88Å
332	Q	91.8	Very high	94.7	Very high	126 Å²	126	50 Å²	50	59%	0.589	26%	0.263	S	S	*	.	H	α-helix	trans	-58.4	-44.8	-174.4	-67.4	-177.3	-5	0	0	113.4	S330 Y334 C335 F336	S330-Q332 PolarHBondContact O-N 2.89Å; Q332-Y334 PolarHBondContact O-N 2.94Å; Q332-C335 PolarHBondContact O-N 2.95Å; Q332-F336 HydrophobicContact CB-CD2 4.29Å; Q332-F336 PolarHBondContact O-N 3.21Å
333	G	92.3	Very high	94.8	Very high	15 Å²	15	46 Å²	46	16%	0.155	25%	0.247	C	C	.	.	H	α-helix	trans	-67	-12.7	176.2	0	0	0	0	0	114.6	S172 G331 S337	S172-G333 VanDerWaalsContact OG-CA 3.27Å; S172-G333 WeakPolarHBondContact OG-CA 3.3Å; S172-G333 PolarHBondContact OG-N 2.94Å; G331-G333 PolarHBondContact O-N 3.44Å; G333-S337 WeakPolarHBondContact O-CB 3.46Å
334	Y	94.3	Very high	94.9	Very high	16 Å²	16	47.4 Å²	47.4	6%	0.063	25%	0.254	C	S	.	.	H	α-helix	trans	-91.8	-43.5	172.4	-179	-92	0	0	0	111.3	R135 I161 I162 R328 G331 Q332	R135-Y334 HydrophobicContact CB-CD1 4.35Å; R135-Y334 HydrophobicContact CB-CD2 4.23Å; R135-Y334 HydrophobicContact CB-CE1 3.72Å; R135-Y334 HydrophobicContact CB-CE2 3.59Å; R135-Y334 WeakPolarHBondContact CB-OH 3.49Å; R135-Y334 HydrophobicContact CG-CD2 4.19Å; R135-Y334 HydrophobicContact CG-CE2 3.64Å; I161-Y334 HydrophobicContact CD1-CD1 4.26Å; I161-Y334 HydrophobicContact CD1-CD2 3.5Å; I161-Y334 HydrophobicContact CD1-CE1 4.4Å; I161-Y334 HydrophobicContact CD1-CE2 3.65Å; I161-Y334 HydrophobicContact CD1-CG 3.82Å; I161-Y334 HydrophobicContact CG1-CD2 3.57Å; I161-Y334 HydrophobicContact CG1-CE2 3.43Å; I161-Y334 VanDerWaalsContact CG1-CE2 3.43Å; I161-Y334 HydrophobicContact CG1-CG 4.39Å; I162-Y334 WeakPolarHBondContact O-CD2 3.41Å; R328-Y334 HydrophobicContact CB-CE1 3.97Å; R328-Y334 HydrophobicContact CG-CE1 4.14Å; R328-Y334 PolarHBondContact NH1-OH 3.15Å; R328-Y334 WeakPolarHBondContact O-CD1 3.3Å; G331-Y334 WeakPolarHBondContact O-CA 3.42Å; G331-Y334 WeakPolarHBondContact O-CB 3.37Å; G331-Y334 PolarHBondContact O-N 2.7Å; Q332-Y334 PolarHBondContact O-N 2.94Å
335	C	93.2	Very high	94.9	Very high	26 Å²	26	47.4 Å²	47.4	18%	0.176	25%	0.254	C	S	.	.	H	α-helix	trans	-75.5	-35.7	-176.9	-62.6	0	0	0	0	113.6	P134 R328 G331 Q332	P134-C335 VanDerWaalsContact CB-O 3.32Å; P134-C335 WeakPolarHBondContact CB-O 3.43Å; R328-C335 PolarHBondContact O-SG 3.04Å; R328-C335 VanDerWaalsContact O-SG 3.34Å; G331-C335 PolarHBondContact O-N 3.36Å; G331-C335 PolarHBondContact O-SG 2.88Å; Q332-C335 PolarHBondContact O-N 2.95Å
336	F	92.4	Very high	95.1	Very high	176 Å²	176	44.3 Å²	44.3	77%	0.772	24%	0.239	S	C	*	.	S	Bend	trans	-117.8	12.7	-168.6	-55.6	-69.3	0	0	0	114.2	Q332	Q332-F336 HydrophobicContact CB-CD2 4.29Å; Q332-F336 PolarHBondContact O-N 3.21Å
337	S	93.6	Very high	95.2	Very high	49 Å²	49	41 Å²	41	34%	0.343	22%	0.224	S	C	.	.	S	Bend	trans	-114.8	148.6	171.5	-168.6	0	0	0	0	110.3	P134 S164 G333	P134-S337 WeakPolarHBondContact CA-O 3.5Å; P134-S337 VanDerWaalsContact CB-O 3.27Å; P134-S337 WeakPolarHBondContact CB-O 3.41Å; S164-S337 PolarHBondContact OG-OG 3.04Å; G333-S337 WeakPolarHBondContact O-CB 3.46Å
338	A	95.3	Very high	95.3	Very high	50 Å²	50	41 Å²	41	41%	0.413	22%	0.224	S	C	.	.	P	Polyproline II helix	trans	-59.7	144.9	168.4	0	0	0	0	0	110	G133 S164	G133-A338 WeakPolarHBondContact O-CA 3.46Å; S164-A338 VanDerWaalsContact CB-O 3.26Å; S164-A338 WeakPolarHBondContact CB-O 3.2Å; S164-A338 PolarHBondContact OG-O 3.29Å
339	S	96.3	Very high	95.5	Very high	9 Å²	9	39 Å²	39	6%	0.063	22%	0.217	C	C	.	.	P	Polyproline II helix	trans	-68.8	163.2	179.8	64.6	0	0	0	0	112.3	T131 G133 R135 G139	T131-S339 VanDerWaalsContact CB-OG 3.28Å; T131-S339 WeakPolarHBondContact CB-OG 3.35Å; T131-S339 VanDerWaalsContact CG2-OG 3.29Å; T131-S339 WeakPolarHBondContact CG2-OG 3.48Å; T131-S339 PolarHBondContact OG1-OG 2.95Å; G133-S339 PolarHBondContact O-N 3.31Å; G133-S339 PolarHBondContact O-OG 2.84Å; R135-S339 VanDerWaalsContact CD-CB 3.4Å; G139-S339 VanDerWaalsContact O-CB 3.29Å; G139-S339 WeakPolarHBondContact O-CB 3.46Å; G139-S339 PolarHBondContact O-OG 2.84Å
340	L	96.9	Very high	95.8	Very high	2 Å²	2	32.3 Å²	32.3	1%	0.01	18%	0.182	C	C	.	.	P	Polyproline II helix	trans	-55.7	135.9	176	-175	67.6	0	0	0	109.4	H144 L147 I162 M306 I313 L344 A345	H144-L340 PolarHBondContact CE1-O 2.88Å; H144-L340 PolarHBondContact NE2-O 3.49Å; L147-L340 HydrophobicContact CD2-CD2 4.17Å; I162-L340 HydrophobicContact CD1-CD2 4.43Å; M306-L340 HydrophobicContact CE-CD2 4.03Å; I313-L340 HydrophobicContact CG2-CD1 3.68Å; I313-L340 WeakPolarHBondContact O-CD1 3.35Å; L340-L344 HydrophobicContact CD1-CB 3.97Å; L340-L344 HydrophobicContact CD1-CD1 4.28Å; L340-L344 HydrophobicContact CD2-CB 4.38Å; L340-L344 HydrophobicContact CG-CB 4.04Å; L340-A345 HydrophobicContact CD2-CB 4.11Å
341	P	97.3	Very high	96.1	Very high	36 Å²	36	30.6 Å²	30.6	23%	0.234	17%	0.17	C	C	.	.	P	Polyproline II helix	trans	-56	134.4	173.4	-30.3	38.2	0	0	0	111.7	M343 L344 A345	P341-M343 HydrophobicContact CB-CE 4.25Å; P341-M343 HydrophobicContact CB-CG 4.28Å; P341-M343 PolarHBondContact O-N 3.39Å; P341-M343 VanDerWaalsContact O-N 3.1Å; P341-L344 HydrophobicContact CB-CD1 3.92Å; P341-L344 HydrophobicContact CB-CG 4.3Å; P341-L344 HydrophobicContact CG-CD1 3.78Å; P341-L344 WeakPolarHBondContact O-CB 3.37Å; P341-L344 PolarHBondContact O-N 3.02Å; P341-A345 PolarHBondContact O-N 2.94Å
342	P	97.6	Very high	96.3	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-53.3	-36.9	-176.5	-32.3	38.6	0	0	0	114	S123 Y127 T131 F141 V143 L344 A345 A346	S123-P342 PolarHBondContact OG-O 2.69Å; Y127-P342 HydrophobicContact CD2-CB 3.81Å; Y127-P342 HydrophobicContact CG-CB 3.87Å; Y127-P342 HydrophobicContact CG-CG 4.33Å; T131-P342 HydrophobicContact CG2-CG 3.84Å; F141-P342 HydrophobicContact CD2-CB 4.34Å; F141-P342 HydrophobicContact CD2-CG 3.52Å; F141-P342 HydrophobicContact CE2-CG 3.89Å; F141-P342 HydrophobicContact CG-CG 4.34Å; V143-P342 HydrophobicContact CG1-CB 3.8Å; P342-L344 VanDerWaalsContact C-N 3.27Å; P342-L344 PolarHBondContact O-N 3.2Å; P342-A345 WeakPolarHBondContact O-CB 3.39Å; P342-A345 PolarHBondContact O-N 3.45Å; P342-A346 PolarHBondContact O-N 3.39Å
343	M	97.3	Very high	96.6	Very high	53 Å²	53	26.4 Å²	26.4	26%	0.261	15%	0.152	S	C	.	.	H	α-helix	trans	-61.6	-33.1	176.9	66.9	-176.3	178	0	0	113.6	A120 S123 L124 P341 A347	A120-M343 HydrophobicContact CB-CB 4.34Å; S123-M343 WeakPolarHBondContact OG-CA 3.35Å; S123-M343 PolarHBondContact OG-N 3.46Å; L124-M343 HydrophobicContact CD1-SD 4.28Å; P341-M343 HydrophobicContact CB-CE 4.25Å; P341-M343 HydrophobicContact CB-CG 4.28Å; P341-M343 PolarHBondContact O-N 3.39Å; P341-M343 VanDerWaalsContact O-N 3.1Å; M343-A347 WeakPolarHBondContact O-CB 3.48Å; M343-A347 PolarHBondContact O-N 3.36Å
344	L	97.5	Very high	96.9	Very high	46 Å²	46	26.4 Å²	26.4	24%	0.241	15%	0.148	C	C	.	.	H	α-helix	trans	-79.1	-31.4	178.1	-67.1	168.5	0	0	0	110.9	S312 I313 L340 P341 P342 A348	S312-L344 WeakPolarHBondContact OG-CB 3.44Å; S312-L344 PolarHBondContact OG-O 3.36Å; I313-L344 HydrophobicContact CG2-CB 4.46Å; I313-L344 HydrophobicContact CG2-CD1 3.28Å; I313-L344 HydrophobicContact CG2-CD2 4.41Å; I313-L344 HydrophobicContact CG2-CG 4.23Å; L340-L344 HydrophobicContact CD1-CB 3.97Å; L340-L344 HydrophobicContact CD1-CD1 4.28Å; L340-L344 HydrophobicContact CD2-CB 4.38Å; L340-L344 HydrophobicContact CG-CB 4.04Å; P341-L344 HydrophobicContact CB-CD1 3.92Å; P341-L344 HydrophobicContact CB-CG 4.3Å; P341-L344 HydrophobicContact CG-CD1 3.78Å; P341-L344 WeakPolarHBondContact O-CB 3.37Å; P341-L344 PolarHBondContact O-N 3.02Å; P342-L344 VanDerWaalsContact C-N 3.27Å; P342-L344 PolarHBondContact O-N 3.2Å; L344-A348 WeakPolarHBondContact O-CB 3.48Å; L344-A348 PolarHBondContact O-N 3.16Å
345	A	98.2	Very high	97.1	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-65.3	-45.2	169.8	0	0	0	0	0	111.5	V143 L147 L340 P341 P342 A347 A348 I349	V143-A345 HydrophobicContact CG1-CB 4.16Å; V143-A345 HydrophobicContact CG2-CB 4.03Å; L147-A345 HydrophobicContact CB-CB 4.48Å; L147-A345 HydrophobicContact CD2-CB 3.94Å; L340-A345 HydrophobicContact CD2-CB 4.11Å; P341-A345 PolarHBondContact O-N 2.94Å; P342-A345 WeakPolarHBondContact O-CB 3.39Å; P342-A345 PolarHBondContact O-N 3.45Å; A345-A347 PolarHBondContact O-N 2.69Å; A345-A348 PolarHBondContact O-N 3.16Å; A345-I349 VanDerWaalsContact O-CG1 3.31Å; A345-I349 WeakPolarHBondContact O-CG1 3.39Å; A345-I349 PolarHBondContact O-N 3.46Å
346	A	98.3	Very high	97.3	Very high	14 Å²	14	28.9 Å²	28.9	12%	0.116	16%	0.158	C	C	.	.	H	α-helix	trans	-62.1	-40.1	175.3	0	0	0	0	0	112.7	V143 P342 I349 E350	V143-A346 HydrophobicContact CG2-CB 4.23Å; P342-A346 PolarHBondContact O-N 3.39Å; A346-I349 PolarHBondContact O-N 2.99Å; A346-E350 PolarHBondContact O-N 2.52Å; A346-E350 VanDerWaalsContact O-N 3.07Å
347	A	98.1	Very high	97.5	Very high	5 Å²	5	26.3 Å²	26.3	4%	0.041	15%	0.148	C	C	.	.	H	α-helix	trans	-60.7	-44.6	174	0	0	0	0	0	111.9	V116 A120 M343 A345 E350 A351	V116-A347 HydrophobicContact CG1-CB 3.69Å; A120-A347 HydrophobicContact CB-CB 4.48Å; M343-A347 WeakPolarHBondContact O-CB 3.48Å; M343-A347 PolarHBondContact O-N 3.36Å; A345-A347 PolarHBondContact O-N 2.69Å; A347-E350 PolarHBondContact O-N 3.11Å; A347-A351 PolarHBondContact O-N 3.03Å
348	A	98.4	Very high	97.7	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-64.4	-41	177.8	0	0	0	0	0	112.4	L147 M306 V310 L344 A345 E350 A351 L352	L147-A348 HydrophobicContact CD1-CB 3.78Å; L147-A348 HydrophobicContact CD2-CB 4.03Å; M306-A348 HydrophobicContact SD-CB 4.11Å; V310-A348 HydrophobicContact CG1-CB 3.86Å; L344-A348 WeakPolarHBondContact O-CB 3.48Å; L344-A348 PolarHBondContact O-N 3.16Å; A345-A348 PolarHBondContact O-N 3.16Å; A348-E350 VanDerWaalsContact C-N 3.32Å; A348-E350 PolarHBondContact O-N 2.97Å; A348-A351 WeakPolarHBondContact O-CB 3.48Å; A348-A351 PolarHBondContact O-N 3.15Å; A348-L352 WeakPolarHBondContact O-CG 3.35Å; A348-L352 PolarHBondContact O-N 3.27Å
349	I	98.6	Very high	97.6	Very high	10 Å²	10	27.9 Å²	27.9	5%	0.051	15%	0.148	C	C	.	.	H	α-helix	trans	-58.6	-44.4	174.4	-70.1	166.1	0	0	0	110.9	V143 E146 L147 A345 A346 L352 N353	V143-I349 HydrophobicContact CG2-CD1 3.73Å; E146-I349 HydrophobicContact CB-CD1 3.99Å; E146-I349 HydrophobicContact CG-CD1 3.83Å; L147-I349 HydrophobicContact CB-CD1 4Å; L147-I349 HydrophobicContact CB-CG1 3.88Å; L147-I349 HydrophobicContact CD1-CG1 3.88Å; L147-I349 HydrophobicContact CG-CG1 4.44Å; A345-I349 VanDerWaalsContact O-CG1 3.31Å; A345-I349 WeakPolarHBondContact O-CG1 3.39Å; A345-I349 PolarHBondContact O-N 3.46Å; A346-I349 PolarHBondContact O-N 2.99Å; I349-L352 PolarHBondContact O-N 2.95Å; I349-N353 PolarHBondContact O-N 2.98Å
350	E	98.6	Very high	97.7	Very high	9 Å²	9	28.9 Å²	28.9	4%	0.042	16%	0.16	C	C	.	.	H	α-helix	trans	-70.1	-35.3	178.3	-170.8	63.1	-165.3	0	0	112.4	R115 V116 K119 A346 A347 A348 L352 N353 I354	R115-E350 HydrophobicContact CB-CG 4.08Å; R115-E350 IonicContact CZ-OE1 3.05Å; R115-E350 IonicContact NE-OE1 3.28Å; R115-E350 PolarHBondContact NE-OE1 3.26Å; R115-E350 IonicContact NH2-OE1 3.86Å; R115-E350 PolarHBondContact NH2-OE1 2.9Å; V116-E350 HydrophobicContact CG2-CB 4.29Å; V116-E350 HydrophobicContact CG2-CG 4.08Å; K119-E350 HydrophobicContact CB-CB 4.13Å; K119-E350 HydrophobicContact CB-CG 4.44Å; K119-E350 WeakPolarHBondContact CE-OE2 3.41Å; K119-E350 HydrophobicContact CG-CB 3.89Å; K119-E350 HydrophobicContact CG-CG 3.79Å; A346-E350 PolarHBondContact O-N 2.52Å; A346-E350 VanDerWaalsContact O-N 3.07Å; A347-E350 PolarHBondContact O-N 3.11Å; A348-E350 VanDerWaalsContact C-N 3.32Å; A348-E350 PolarHBondContact O-N 2.97Å; E350-L352 VanDerWaalsContact C-N 3.31Å; E350-L352 PolarHBondContact O-N 3.11Å; E350-N353 WeakPolarHBondContact O-CB 3.35Å; E350-N353 PolarHBondContact O-N 3.24Å; E350-N353 PolarHBondContact OE2-ND2 3.19Å; E350-I354 HydrophobicContact CG-CD1 4.35Å; E350-I354 WeakPolarHBondContact O-CG1 3.36Å; E350-I354 PolarHBondContact O-N 3.39Å
351	A	98.3	Very high	97.7	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-60.3	-42.7	172.2	0	0	0	0	0	111.3	L110 V310 A311 A347 A348 I354 M355	L110-A351 HydrophobicContact CD1-CB 3.92Å; V310-A351 HydrophobicContact CG1-CB 4.01Å; V310-A351 WeakPolarHBondContact O-CB 3.14Å; A311-A351 HydrophobicContact CB-CB 4.37Å; A347-A351 PolarHBondContact O-N 3.03Å; A348-A351 WeakPolarHBondContact O-CB 3.48Å; A348-A351 PolarHBondContact O-N 3.15Å; A351-I354 PolarHBondContact O-N 2.95Å; A351-M355 HydrophobicContact CB-CE 4.4Å; A351-M355 VanDerWaalsContact O-CG 3.31Å; A351-M355 WeakPolarHBondContact O-CG 3.48Å; A351-M355 PolarHBondContact O-N 2.69Å
352	L	98.4	Very high	97.8	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-63.5	-39.9	173.9	-66.3	172.1	0	0	0	112.3	L147 R150 L151 F154 F278 V310 A348 I349 E350 I354 M355 E356	L147-L352 HydrophobicContact CD1-CD1 4.12Å; R150-L352 HydrophobicContact CB-CD1 3.98Å; L151-L352 HydrophobicContact CD2-CD1 3.85Å; L151-L352 HydrophobicContact CD2-CD2 4.4Å; L151-L352 HydrophobicContact CG-CD1 4.1Å; F154-L352 HydrophobicContact CB-CD2 4.45Å; F154-L352 HydrophobicContact CD1-CD2 4.4Å; F154-L352 HydrophobicContact CD2-CD2 4.11Å; F154-L352 HydrophobicContact CE2-CD2 4.46Å; F154-L352 HydrophobicContact CG-CD2 4.06Å; F278-L352 HydrophobicContact CZ-CD2 4.26Å; V310-L352 HydrophobicContact CG1-CG 4.46Å; A348-L352 WeakPolarHBondContact O-CG 3.35Å; A348-L352 PolarHBondContact O-N 3.27Å; I349-L352 PolarHBondContact O-N 2.95Å; E350-L352 VanDerWaalsContact C-N 3.31Å; E350-L352 PolarHBondContact O-N 3.11Å; L352-I354 VanDerWaalsContact C-N 3.33Å; L352-I354 PolarHBondContact O-N 3.22Å; L352-M355 HydrophobicContact CD2-SD 4.26Å; L352-M355 WeakPolarHBondContact O-CB 3.28Å; L352-M355 PolarHBondContact O-N 2.84Å; L352-E356 WeakPolarHBondContact O-CG 3.41Å; L352-E356 PolarHBondContact O-N 3.1Å
353	N	98.3	Very high	97.8	Very high	38 Å²	38	32.2 Å²	32.2	20%	0.203	18%	0.175	C	C	.	.	H	α-helix	trans	-56.1	-48.8	173.3	-69.5	-24.9	0	0	0	111.3	R150 I349 E350 M355 E356 E357	R150-N353 PolarHBondContact NH1-OD1 3.24Å; R150-N353 PolarHBondContact NH2-OD1 2.85Å; I349-N353 PolarHBondContact O-N 2.98Å; E350-N353 WeakPolarHBondContact O-CB 3.35Å; E350-N353 PolarHBondContact O-N 3.24Å; E350-N353 PolarHBondContact OE2-ND2 3.19Å; N353-M355 VanDerWaalsContact C-N 3.31Å; N353-M355 PolarHBondContact O-N 3.21Å; N353-E356 PolarHBondContact O-N 3.34Å; N353-E357 WeakPolarHBondContact O-CB 3.44Å; N353-E357 VanDerWaalsContact O-CG 3.24Å; N353-E357 WeakPolarHBondContact O-CG 3.41Å; N353-E357 PolarHBondContact O-N 3.05Å
354	I	98.1	Very high	97.8	Very high	16 Å²	16	33 Å²	33	8%	0.082	18%	0.183	C	C	.	.	H	α-helix	trans	-62.8	-40.7	-179.5	-65.8	164.8	0	0	0	110.9	L110 R115 V116 E350 A351 L352 E356 E357 D358	L110-I354 HydrophobicContact CD2-CB 4.46Å; L110-I354 HydrophobicContact CD2-CD1 4.13Å; L110-I354 HydrophobicContact CD2-CG2 3.83Å; R115-I354 HydrophobicContact CB-CD1 4.45Å; V116-I354 HydrophobicContact CG2-CD1 3.83Å; E350-I354 HydrophobicContact CG-CD1 4.35Å; E350-I354 WeakPolarHBondContact O-CG1 3.36Å; E350-I354 PolarHBondContact O-N 3.39Å; A351-I354 PolarHBondContact O-N 2.95Å; L352-I354 VanDerWaalsContact C-N 3.33Å; L352-I354 PolarHBondContact O-N 3.22Å; I354-E356 VanDerWaalsContact C-N 3.33Å; I354-E356 PolarHBondContact O-N 2.96Å; I354-E357 PolarHBondContact O-N 3.3Å; I354-D358 PolarHBondContact O-N 3.36Å
355	M	97.8	Very high	97.8	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.005	17%	0.171	C	C	.	.	H	α-helix	trans	-61.4	-38.6	176	-74.1	-179.2	-153.6	0	0	113	L108 L110 F154 A309 V310 A351 L352 N353 D358 F362	L108-M355 HydrophobicContact CD1-CE 3.53Å; L108-M355 HydrophobicContact CD1-CG 3.95Å; L108-M355 HydrophobicContact CD1-SD 4.06Å; L110-M355 HydrophobicContact CD1-CE 4.06Å; F154-M355 HydrophobicContact CE2-CB 4.08Å; F154-M355 HydrophobicContact CZ-CB 4.47Å; F154-M355 HydrophobicContact CZ-SD 4.29Å; A309-M355 HydrophobicContact CB-CE 4.19Å; A309-M355 WeakPolarHBondContact O-CE 3.23Å; V310-M355 HydrophobicContact CB-CE 4.42Å; V310-M355 HydrophobicContact CG2-CE 4.15Å; A351-M355 HydrophobicContact CB-CE 4.4Å; A351-M355 VanDerWaalsContact O-CG 3.31Å; A351-M355 WeakPolarHBondContact O-CG 3.48Å; A351-M355 PolarHBondContact O-N 2.69Å; L352-M355 HydrophobicContact CD2-SD 4.26Å; L352-M355 WeakPolarHBondContact O-CB 3.28Å; L352-M355 PolarHBondContact O-N 2.84Å; N353-M355 VanDerWaalsContact C-N 3.31Å; N353-M355 PolarHBondContact O-N 3.21Å; M355-D358 CarbonylContact O-C 3.44Å; M355-F362 HydrophobicContact CB-CZ 3.83Å; M355-F362 HydrophobicContact CG-CE1 4.14Å; M355-F362 HydrophobicContact CG-CZ 3.86Å; M355-F362 HydrophobicContact SD-CE1 4.34Å; M355-F362 HydrophobicContact SD-CZ 4.25Å
356	E	97.5	Very high	97.8	Very high	93 Å²	93	32.9 Å²	32.9	44%	0.435	18%	0.179	S	C	.	.	H	α-helix	trans	-76.6	-34.7	178.5	-70.1	177.1	131.4	0	0	112.4	R150 F154 L352 N353 I354	R150-E356 IonicContact CZ-OE2 2.96Å; R150-E356 IonicContact NE-OE2 3.91Å; R150-E356 IonicContact NH2-OE2 2.7Å; R150-E356 PolarHBondContact NH2-OE2 2.97Å; F154-E356 HydrophobicContact CD2-CG 3.85Å; F154-E356 HydrophobicContact CE2-CG 4.03Å; L352-E356 WeakPolarHBondContact O-CG 3.41Å; L352-E356 PolarHBondContact O-N 3.1Å; N353-E356 PolarHBondContact O-N 3.34Å; I354-E356 VanDerWaalsContact C-N 3.33Å; I354-E356 PolarHBondContact O-N 2.96Å
357	E	97.8	Very high	97.8	Very high	121 Å²	121	36.9 Å²	36.9	57%	0.565	20%	0.195	S	C	*	.	H	α-helix	trans	-73.5	-35.1	177.9	-72.2	169.2	-155	0	0	113	R115 N353 I354	R115-E357 IonicContact CZ-OE1 2.96Å; R115-E357 IonicContact CZ-OE2 3.77Å; R115-E357 IonicContact NH1-OE1 3.77Å; R115-E357 IonicContact NH1-OE2 3.11Å; R115-E357 PolarHBondContact NH1-OE2 2.7Å; R115-E357 IonicContact NH2-OE1 3.1Å; R115-E357 PolarHBondContact NH2-OE1 2.96Å; R115-E357 IonicContact NH2-OE2 3.43Å; R115-E357 PolarHBondContact NH2-OE2 2.89Å; R115-E357 VanDerWaalsContact NH2-OE2 3.1Å; N353-E357 WeakPolarHBondContact O-CB 3.44Å; N353-E357 VanDerWaalsContact O-CG 3.24Å; N353-E357 WeakPolarHBondContact O-CG 3.41Å; N353-E357 PolarHBondContact O-N 3.05Å; I354-E357 PolarHBondContact O-N 3.3Å
358	D	96.6	Very high	97.8	Very high	84 Å²	84	38.4 Å²	38.4	45%	0.449	20%	0.201	S	C	.	.			trans	-127.8	75.6	178.2	-178.5	18.1	0	0	0	112.4	I354 M355 G360 I361	I354-D358 PolarHBondContact O-N 3.36Å; M355-D358 CarbonylContact O-C 3.44Å; D358-G360 PolarHBondContact O-N 3.38Å; D358-G360 VanDerWaalsContact O-N 3.13Å; D358-G360 PolarHBondContact OD1-N 3.4Å; D358-I361 WeakPolarHBondContact O-CB 3.5Å; D358-I361 WeakPolarHBondContact O-CG2 3.2Å; D358-I361 PolarHBondContact O-N 3.41Å
359	P	94.8	Very high	97.8	Very high	48 Å²	48	38.4 Å²	38.4	31%	0.312	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-19.1	174.2	-22.6	34	0	0	0	113.4	I361 F362	P359-I361 PolarHBondContact O-N 3.1Å; P359-F362 WeakPolarHBondContact O-CD2 3.42Å; P359-F362 PolarHBondContact O-N 3.37Å
360	G	97.4	Very high	97.8	Very high	30 Å²	30	42 Å²	42	31%	0.309	22%	0.216	S	C	.	.	H	α-helix	trans	-61.1	-24.2	177.8	0	0	0	0	0	113.1	D358 F362 I363 V364	D358-G360 PolarHBondContact O-N 3.38Å; D358-G360 VanDerWaalsContact O-N 3.13Å; D358-G360 PolarHBondContact OD1-N 3.4Å; G360-F362 PolarHBondContact O-N 3.11Å; G360-I363 PolarHBondContact O-N 2.8Å; G360-I363 VanDerWaalsContact O-N 3.11Å; G360-V364 WeakPolarHBondContact O-CG2 3.38Å; G360-V364 PolarHBondContact O-N 3.16Å
361	I	97.6	Very high	97.7	Very high	17 Å²	17	45.1 Å²	45.1	9%	0.087	23%	0.23	C	C	.	.	H	α-helix	trans	-56.3	-34.3	178.8	-159.9	173.7	0	0	0	113	L108 D358 P359 V364 L365 V449	L108-I361 HydrophobicContact CB-CD1 4.02Å; L108-I361 HydrophobicContact CD2-CD1 4.22Å; L108-I361 HydrophobicContact CD2-CG1 4.09Å; L108-I361 HydrophobicContact CD2-CG2 4.26Å; D358-I361 WeakPolarHBondContact O-CB 3.5Å; D358-I361 WeakPolarHBondContact O-CG2 3.2Å; D358-I361 PolarHBondContact O-N 3.41Å; P359-I361 PolarHBondContact O-N 3.1Å; I361-V364 PolarHBondContact O-N 2.59Å; I361-L365 PolarHBondContact O-N 3.2Å; I361-V449 HydrophobicContact CD1-CG2 4.39Å; I361-V449 HydrophobicContact CG1-CG1 4.06Å; I361-V449 HydrophobicContact CG1-CG2 4.39Å
362	F	98.1	Very high	97.7	Very high	1 Å²	1	45.2 Å²	45.2	0%	0.004	23%	0.231	C	C	.	.	H	α-helix	trans	-70.9	-37.5	180	-52	-55.8	0	0	0	111.9	L108 G279 H284 M355 P359 G360 L365 R366	L108-F362 HydrophobicContact CD1-CD1 4.41Å; L108-F362 HydrophobicContact CD1-CE1 3.83Å; L108-F362 HydrophobicContact CD2-CD1 4.12Å; L108-F362 HydrophobicContact CD2-CE1 4.36Å; G279-F362 WeakPolarHBondContact O-CD1 3.44Å; H284-F362 WeakPolarHBondContact O-CE2 3.43Å; H284-F362 WeakPolarHBondContact O-CZ 3.25Å; M355-F362 HydrophobicContact CB-CZ 3.83Å; M355-F362 HydrophobicContact CG-CE1 4.14Å; M355-F362 HydrophobicContact CG-CZ 3.86Å; M355-F362 HydrophobicContact SD-CE1 4.34Å; M355-F362 HydrophobicContact SD-CZ 4.25Å; P359-F362 WeakPolarHBondContact O-CD2 3.42Å; P359-F362 PolarHBondContact O-N 3.37Å; G360-F362 PolarHBondContact O-N 3.11Å; F362-L365 PolarHBondContact O-N 2.77Å; F362-R366 WeakPolarHBondContact O-CG 3.33Å; F362-R366 PolarHBondContact O-N 2.82Å
363	I	97.6	Very high	97.7	Very high	90 Å²	90	47.2 Å²	47.2	46%	0.462	24%	0.239	S	C	.	.	H	α-helix	trans	-65.7	-46.2	174.6	-61.8	170.2	0	0	0	109.3	G360 L365 R366 E367	G360-I363 PolarHBondContact O-N 2.8Å; G360-I363 VanDerWaalsContact O-N 3.11Å; I363-L365 VanDerWaalsContact C-N 3.3Å; I363-L365 PolarHBondContact O-N 2.97Å; I363-R366 PolarHBondContact O-N 3.02Å; I363-E367 HydrophobicContact CG2-CG 4.28Å; I363-E367 WeakPolarHBondContact O-CG 3.44Å; I363-E367 PolarHBondContact O-N 3.36Å
364	V	97.8	Very high	97.7	Very high	71 Å²	71	52.9 Å²	52.9	43%	0.43	26%	0.262	S	S	.	.	H	α-helix	trans	-57.1	-44.4	177	173.8	0	0	0	0	111.2	G360 I361 K368 V449	G360-V364 WeakPolarHBondContact O-CG2 3.38Å; G360-V364 PolarHBondContact O-N 3.16Å; I361-V364 PolarHBondContact O-N 2.59Å; V364-K368 HydrophobicContact CG1-CD 4.39Å; V364-K368 WeakPolarHBondContact O-CG 3.37Å; V364-K368 PolarHBondContact O-N 2.93Å; V364-V449 HydrophobicContact CG1-CB 4.37Å; V364-V449 HydrophobicContact CG1-CG1 4.37Å
365	L	98.3	Very high	97.6	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-58.8	-53.6	175.3	178.2	61.4	0	0	0	111.2	F107 L108 V280 I361 F362 I363 E367 K368 C369 V447 V449	F107-L365 HydrophobicContact CB-CD1 4.39Å; F107-L365 HydrophobicContact CB-CD2 3.84Å; L108-L365 HydrophobicContact CD2-CD2 3.98Å; V280-L365 HydrophobicContact CB-CD2 4.36Å; V280-L365 HydrophobicContact CG1-CD2 4.23Å; V280-L365 HydrophobicContact CG2-CD2 3.99Å; I361-L365 PolarHBondContact O-N 3.2Å; F362-L365 PolarHBondContact O-N 2.77Å; I363-L365 VanDerWaalsContact C-N 3.3Å; I363-L365 PolarHBondContact O-N 2.97Å; L365-E367 VanDerWaalsContact C-N 3.33Å; L365-E367 PolarHBondContact O-N 3.39Å; L365-K368 CarbonylContact O-C 3.51Å; L365-K368 WeakPolarHBondContact O-CB 3.11Å; L365-K368 PolarHBondContact O-N 3.04Å; L365-K368 VanDerWaalsContact O-N 3.1Å; L365-C369 PolarHBondContact O-N 3.27Å; L365-C369 PolarHBondContact O-SG 2.73Å; L365-V447 HydrophobicContact CD1-CG1 4.37Å; L365-V449 HydrophobicContact CB-CG1 3.65Å; L365-V449 HydrophobicContact CD1-CG1 4.13Å; L365-V449 HydrophobicContact CG-CG1 4.44Å
366	R	98.1	Very high	97.6	Very high	43 Å²	43	53.5 Å²	53.5	16%	0.162	27%	0.268	C	S	.	.	H	α-helix	trans	-62.1	-38.7	-177	-70.8	-171.5	-60.6	-100	6.9	112.8	V280 G282 F362 I363 K368 C369 K370 F389	V280-R366 WeakPolarHBondContact O-CD 3.45Å; V280-R366 PolarHBondContact O-NH1 3.26Å; G282-R366 PolarHBondContact O-NH1 3.16Å; F362-R366 WeakPolarHBondContact O-CG 3.33Å; F362-R366 PolarHBondContact O-N 2.82Å; I363-R366 PolarHBondContact O-N 3.02Å; R366-K368 VanDerWaalsContact C-N 3.35Å; R366-C369 WeakPolarHBondContact O-CB 3.26Å; R366-C369 PolarHBondContact O-N 3.23Å; R366-K370 WeakPolarHBondContact O-CG 3.27Å; R366-K370 PolarHBondContact O-N 3.21Å; R366-F389 HydrophobicContact CB-CB 4.44Å; R366-F389 HydrophobicContact CG-CB 4.31Å
367	E	97.9	Very high	97.5	Very high	98 Å²	98	53.8 Å²	53.8	46%	0.458	27%	0.27	S	S	.	.	H	α-helix	trans	-66.8	-36.6	175.2	-68.4	-51.5	123.7	0	0	111.9	I363 L365 K370 H371	I363-E367 HydrophobicContact CG2-CG 4.28Å; I363-E367 WeakPolarHBondContact O-CG 3.44Å; I363-E367 PolarHBondContact O-N 3.36Å; L365-E367 VanDerWaalsContact C-N 3.33Å; L365-E367 PolarHBondContact O-N 3.39Å; E367-K370 PolarHBondContact O-N 2.99Å; E367-K370 IonicContact OE1-NZ 2.72Å; E367-K370 PolarHBondContact OE1-NZ 3.14Å; E367-H371 WeakPolarHBondContact O-CB 3.44Å; E367-H371 PolarHBondContact O-N 2.71Å
368	K	97.7	Very high	97.3	Very high	37 Å²	37	51.7 Å²	51.7	16%	0.161	28%	0.28	C	S	.	.	H	α-helix	trans	-65.4	-42.4	170.9	-77.8	-179.8	-179.8	-66.9	0	112.4	V364 L365 R366 K370 H371 V372 V447 V449 Q451	V364-K368 HydrophobicContact CG1-CD 4.39Å; V364-K368 WeakPolarHBondContact O-CG 3.37Å; V364-K368 PolarHBondContact O-N 2.93Å; L365-K368 CarbonylContact O-C 3.51Å; L365-K368 WeakPolarHBondContact O-CB 3.11Å; L365-K368 PolarHBondContact O-N 3.04Å; L365-K368 VanDerWaalsContact O-N 3.1Å; R366-K368 VanDerWaalsContact C-N 3.35Å; K368-K370 VanDerWaalsContact C-N 3.31Å; K368-K370 PolarHBondContact O-N 3.21Å; K368-H371 PolarHBondContact O-N 2.62Å; K368-V372 WeakPolarHBondContact O-CG2 3.11Å; K368-V372 PolarHBondContact O-N 3.2Å; K368-V447 HydrophobicContact CB-CG1 3.87Å; K368-V449 VanDerWaalsContact CE-O 3.24Å; K368-V449 WeakPolarHBondContact CE-O 3.42Å; K368-Q451 WeakPolarHBondContact CE-O 3.27Å; K368-Q451 PolarHBondContact NZ-O 3.33Å
369	C	98.2	Very high	97.3	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-56.5	-48	174.1	-62.3	0	0	0	0	110.6	L365 R366 H371 V372 Y373 P388	L365-C369 PolarHBondContact O-N 3.27Å; L365-C369 PolarHBondContact O-SG 2.73Å; R366-C369 WeakPolarHBondContact O-CB 3.26Å; R366-C369 PolarHBondContact O-N 3.23Å; C369-H371 VanDerWaalsContact C-N 3.33Å; C369-H371 PolarHBondContact O-N 3.18Å; C369-V372 PolarHBondContact O-N 3.16Å; C369-Y373 VanDerWaalsContact O-CB 3.23Å; C369-Y373 WeakPolarHBondContact O-CB 3.48Å; C369-Y373 PolarHBondContact O-N 3.03Å; C369-P388 CarbonylContact C-O 3.6Å; C369-P388 WeakPolarHBondContact CB-O 3.29Å
370	K	98.4	Very high	97.2	Very high	86 Å²	86	49.3 Å²	49.3	37%	0.374	27%	0.27	S	S	.	.	H	α-helix	trans	-61	-40.7	177.6	-70.5	171.6	-173.6	172.4	0	112.2	R366 E367 K368 K374 P388	R366-K370 WeakPolarHBondContact O-CG 3.27Å; R366-K370 PolarHBondContact O-N 3.21Å; E367-K370 PolarHBondContact O-N 2.99Å; E367-K370 IonicContact OE1-NZ 2.72Å; E367-K370 PolarHBondContact OE1-NZ 3.14Å; K368-K370 VanDerWaalsContact C-N 3.31Å; K368-K370 PolarHBondContact O-N 3.21Å; K370-K374 WeakPolarHBondContact O-CB 3.46Å; K370-K374 PolarHBondContact O-N 3.12Å; K370-P388 VanDerWaalsContact CA-O 3.28Å; K370-P388 WeakPolarHBondContact CA-O 3.34Å; K370-P388 HydrophobicContact CG-CB 4.19Å; K370-P388 PolarHBondContact N-O 2.86Å
371	H	97.8	Very high	97.2	Very high	73 Å²	73	48.9 Å²	48.9	34%	0.338	27%	0.265	S	S	.	.	H	α-helix	trans	-62.9	-50.7	176.6	-176.2	-171	0	0	0	111.2	E367 K368 C369 Y373 K374 A375 D453	E367-H371 WeakPolarHBondContact O-CB 3.44Å; E367-H371 PolarHBondContact O-N 2.71Å; K368-H371 PolarHBondContact O-N 2.62Å; C369-H371 VanDerWaalsContact C-N 3.33Å; C369-H371 PolarHBondContact O-N 3.18Å; H371-Y373 PolarHBondContact O-N 2.81Å; H371-K374 PolarHBondContact O-N 2.9Å; H371-A375 WeakPolarHBondContact O-CB 3.49Å; H371-A375 PolarHBondContact O-N 3.03Å; H371-D453 IonicContact CE1-OD1 3.67Å; H371-D453 IonicContact ND1-OD1 3.59Å
372	V	97.8	Very high	97.1	Very high	2 Å²	2	48.6 Å²	48.6	1%	0.012	26%	0.264	C	S	.	.	H	α-helix	trans	-61.1	-45.1	177.7	174.8	0	0	0	0	110.8	F102 K368 C369 K374 A375 L376 L393 V445 V447 I456	F102-V372 HydrophobicContact CE1-CG2 4.49Å; K368-V372 WeakPolarHBondContact O-CG2 3.11Å; K368-V372 PolarHBondContact O-N 3.2Å; C369-V372 PolarHBondContact O-N 3.16Å; V372-K374 PolarHBondContact O-N 3.37Å; V372-A375 PolarHBondContact O-N 2.99Å; V372-A375 VanDerWaalsContact O-N 3.14Å; V372-L376 HydrophobicContact CG1-CD1 3.75Å; V372-L376 HydrophobicContact CG1-CG 4.2Å; V372-L376 WeakPolarHBondContact O-CB 3.19Å; V372-L376 WeakPolarHBondContact O-CG 3.29Å; V372-L376 PolarHBondContact O-N 3.33Å; V372-L393 HydrophobicContact CG1-CD1 4.07Å; V372-V445 HydrophobicContact CG1-CG1 4.33Å; V372-V447 HydrophobicContact CB-CG2 3.97Å; V372-V447 HydrophobicContact CG1-CG2 4.01Å; V372-V447 HydrophobicContact CG2-CG1 4.33Å; V372-V447 HydrophobicContact CG2-CG2 3.96Å; V372-I456 HydrophobicContact CG2-CD1 3.83Å; V372-I456 HydrophobicContact CG2-CG1 3.87Å; V372-I456 HydrophobicContact CG2-CG2 3.89Å
373	Y	98	Very high	97.1	Very high	43 Å²	43	54.1 Å²	54.1	17%	0.169	29%	0.288	C	S	.	.	H	α-helix	trans	-54.3	-53.5	176.7	-175	-88.9	0	0	0	111.1	C369 H371 A375 L376 Q377 L384 G386 P388 L393	C369-Y373 VanDerWaalsContact O-CB 3.23Å; C369-Y373 WeakPolarHBondContact O-CB 3.48Å; C369-Y373 PolarHBondContact O-N 3.03Å; H371-Y373 PolarHBondContact O-N 2.81Å; Y373-A375 VanDerWaalsContact C-N 3.29Å; Y373-A375 PolarHBondContact O-N 3.13Å; Y373-L376 PolarHBondContact O-N 3.17Å; Y373-Q377 HydrophobicContact CD1-CG 4.38Å; Y373-Q377 HydrophobicContact CE1-CG 4.25Å; Y373-Q377 WeakPolarHBondContact O-CG 3.47Å; Y373-Q377 PolarHBondContact O-N 3.49Å; Y373-L384 HydrophobicContact CD1-CD2 4.12Å; Y373-L384 HydrophobicContact CD2-CD2 3.46Å; Y373-L384 VanDerWaalsContact CD2-CD2 3.46Å; Y373-L384 HydrophobicContact CD2-CG 4.06Å; Y373-L384 HydrophobicContact CE1-CD2 4.18Å; Y373-L384 HydrophobicContact CE2-CD2 3.55Å; Y373-L384 HydrophobicContact CE2-CG 3.83Å; Y373-L384 HydrophobicContact CG-CD2 3.76Å; Y373-L384 VanDerWaalsContact O-CD2 3.29Å; Y373-L384 WeakPolarHBondContact O-CD2 3.39Å; Y373-G386 VanDerWaalsContact CE2-O 3.3Å; Y373-G386 WeakPolarHBondContact CE2-O 3.28Å; Y373-G386 PolarHBondContact OH-O 3.2Å; Y373-P388 HydrophobicContact CD1-CB 3.88Å; Y373-P388 HydrophobicContact CD1-CG 4.04Å; Y373-P388 HydrophobicContact CD2-CB 4.33Å; Y373-P388 HydrophobicContact CE1-CB 4.19Å; Y373-P388 HydrophobicContact CE1-CG 3.82Å; Y373-P388 HydrophobicContact CE2-CG 4.41Å; Y373-P388 HydrophobicContact CG-CB 3.95Å; Y373-P388 HydrophobicContact CG-CG 4.42Å; Y373-L393 HydrophobicContact CD2-CD1 4.16Å; Y373-L393 HydrophobicContact CD2-CD2 3.79Å; Y373-L393 HydrophobicContact CE2-CD2 4.46Å
374	K	97.8	Very high	97.1	Very high	157 Å²	157	51.1 Å²	51.1	68%	0.683	27%	0.272	S	S	*	.	H	α-helix	trans	-60.4	-37.7	177.6	-174.2	179.5	179.7	-178.8	0	112.4	K370 H371 V372 Q377	K370-K374 WeakPolarHBondContact O-CB 3.46Å; K370-K374 PolarHBondContact O-N 3.12Å; H371-K374 PolarHBondContact O-N 2.9Å; V372-K374 PolarHBondContact O-N 3.37Å; K374-Q377 PolarHBondContact O-N 3.01Å
375	A	97.3	Very high	96.9	Very high	25 Å²	25	48.9 Å²	48.9	21%	0.207	26%	0.259	C	S	.	.	H	α-helix	trans	-71.2	-31.5	-179.3	0	0	0	0	0	112.9	H371 V372 Y373 V460	H371-A375 WeakPolarHBondContact O-CB 3.49Å; H371-A375 PolarHBondContact O-N 3.03Å; V372-A375 PolarHBondContact O-N 2.99Å; V372-A375 VanDerWaalsContact O-N 3.14Å; Y373-A375 VanDerWaalsContact C-N 3.29Å; Y373-A375 PolarHBondContact O-N 3.13Å; A375-V460 HydrophobicContact CB-CB 4.47Å; A375-V460 HydrophobicContact CB-CG1 4.16Å; A375-V460 HydrophobicContact CB-CG2 3.72Å; A375-V460 WeakPolarHBondContact O-CG1 3.28Å
376	L	97.4	Very high	96.6	Very high	4 Å²	4	49.4 Å²	49.4	2%	0.021	26%	0.264	C	S	.	.	H	α-helix	trans	-80.2	-17.4	177	-71	176.4	0	0	0	113.7	V372 Y373 I379 L384 L393 L395 V445 V460 I463	V372-L376 HydrophobicContact CG1-CD1 3.75Å; V372-L376 HydrophobicContact CG1-CG 4.2Å; V372-L376 WeakPolarHBondContact O-CB 3.19Å; V372-L376 WeakPolarHBondContact O-CG 3.29Å; V372-L376 PolarHBondContact O-N 3.33Å; Y373-L376 PolarHBondContact O-N 3.17Å; L376-I379 HydrophobicContact CD2-CD1 3.8Å; L376-I379 WeakPolarHBondContact O-CG1 3.34Å; L376-L384 HydrophobicContact CB-CD1 4.36Å; L376-L384 HydrophobicContact CB-CD2 4.08Å; L376-L384 HydrophobicContact CD1-CD1 4.31Å; L376-L393 HydrophobicContact CD1-CD1 4.14Å; L376-L395 HydrophobicContact CB-CD2 4.36Å; L376-L395 HydrophobicContact CD1-CD1 4.39Å; L376-L395 HydrophobicContact CD1-CD2 4.5Å; L376-L395 HydrophobicContact CD2-CD1 4.07Å; L376-V445 HydrophobicContact CD1-CB 4.2Å; L376-V445 HydrophobicContact CD1-CG1 4.11Å; L376-V445 HydrophobicContact CD1-CG2 4.15Å; L376-V460 HydrophobicContact CD2-CG2 3.96Å; L376-V460 HydrophobicContact CG-CG2 4.35Å; L376-I463 HydrophobicContact CD2-CD1 3.94Å
377	Q	96.1	Very high	96.5	Very high	100 Å²	100	50.4 Å²	50.4	47%	0.467	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	142.7	175.9	-76.1	-179.8	-34.4	0	0	111.8	Y373 K374 I379 L384	Y373-Q377 HydrophobicContact CD1-CG 4.38Å; Y373-Q377 HydrophobicContact CE1-CG 4.25Å; Y373-Q377 WeakPolarHBondContact O-CG 3.47Å; Y373-Q377 PolarHBondContact O-N 3.49Å; K374-Q377 PolarHBondContact O-N 3.01Å; Q377-I379 VanDerWaalsContact C-N 3.31Å; Q377-I379 PolarHBondContact O-N 2.83Å; Q377-L384 HydrophobicContact CG-CD2 3.91Å
378	G	92.5	Very high	96.4	Very high	76 Å²	76	47.6 Å²	47.6	78%	0.784	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.2	16.5	174.1	0	0	0	0	0	115	P380	G378-P380 VanDerWaalsContact O-CD 3.31Å; G378-P380 WeakPolarHBondContact O-CD 3.39Å
379	I	96.2	Very high	96.3	Very high	3 Å²	3	47.5 Å²	47.5	2%	0.015	26%	0.261	C	S	.	.			trans	-69.1	118.4	169	-64.5	173.7	0	0	0	108.5	L376 Q377 G381 L382 I463 R464 A467	L376-I379 HydrophobicContact CD2-CD1 3.8Å; L376-I379 WeakPolarHBondContact O-CG1 3.34Å; Q377-I379 VanDerWaalsContact C-N 3.31Å; Q377-I379 PolarHBondContact O-N 2.83Å; I379-G381 PolarHBondContact O-N 3.14Å; I379-L382 HydrophobicContact CB-CB 4.44Å; I379-L382 HydrophobicContact CG2-CB 4.29Å; I379-L382 HydrophobicContact CG2-CD1 3.93Å; I379-L382 HydrophobicContact CG2-CG 4.32Å; I379-L382 PolarHBondContact O-N 3.13Å; I379-L382 VanDerWaalsContact O-N 3.16Å; I379-L382 VanDerWaalsContact O-O 3.11Å; I379-I463 HydrophobicContact CD1-CB 4.43Å; I379-I463 HydrophobicContact CD1-CG2 3.89Å; I379-R464 HydrophobicContact CG1-CB 4.42Å; I379-R464 HydrophobicContact CG2-CB 4.46Å; I379-A467 HydrophobicContact CG2-CB 3.77Å
380	P	94.3	Very high	96.3	Very high	80 Å²	80	47.5 Å²	47.5	52%	0.519	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	135.9	-176.7	-25.1	35.1	0	0	0	112.5	G378 L382	G378-P380 VanDerWaalsContact O-CD 3.31Å; G378-P380 WeakPolarHBondContact O-CD 3.39Å; P380-L382 PolarHBondContact O-N 3.13Å
381	G	95.6	Very high	96.2	Very high	21 Å²	21	43.4 Å²	43.4	22%	0.216	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.2	-5.2	179.5	0	0	0	0	0	114.8	I379 E398	I379-G381 PolarHBondContact O-N 3.14Å; G381-E398 PolarHBondContact O-N 3.3Å
382	L	97.3	Very high	96.2	Very high	11 Å²	11	40.1 Å²	40.1	6%	0.058	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	137.4	176.6	-64.2	179.6	0	0	0	111.6	I379 P380 L395 Q396 L397 L411 I414 I463 A467 L471	I379-L382 HydrophobicContact CB-CB 4.44Å; I379-L382 HydrophobicContact CG2-CB 4.29Å; I379-L382 HydrophobicContact CG2-CD1 3.93Å; I379-L382 HydrophobicContact CG2-CG 4.32Å; I379-L382 PolarHBondContact O-N 3.13Å; I379-L382 VanDerWaalsContact O-N 3.16Å; I379-L382 VanDerWaalsContact O-O 3.11Å; P380-L382 PolarHBondContact O-N 3.13Å; L382-L395 HydrophobicContact CD1-CD1 4.44Å; L382-Q396 CarbonylContact C-O 3.2Å; L382-Q396 VanDerWaalsContact CA-O 3.28Å; L382-Q396 WeakPolarHBondContact CA-O 3.03Å; L382-Q396 WeakPolarHBondContact CD2-O 3.28Å; L382-L397 HydrophobicContact CD2-CD2 4.01Å; L382-L411 HydrophobicContact CD2-CD2 4.03Å; L382-I414 HydrophobicContact CD2-CD1 4.26Å; L382-I463 HydrophobicContact CD1-CG2 3.94Å; L382-A467 HydrophobicContact CD1-CB 4.07Å; L382-A467 HydrophobicContact CG-CB 4.32Å; L382-L471 HydrophobicContact CD2-CD1 3.79Å; L382-L471 HydrophobicContact CG-CD1 3.98Å
383	K	96.7	Very high	96.1	Very high	116 Å²	116	40 Å²	40	50%	0.504	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	123.9	172.7	-179.6	-174.2	176.8	-170.4	0	109.4	V385 Q396	K383-V385 HydrophobicContact CD-CG2 4.27Å; K383-V385 HydrophobicContact CG-CG2 4.22Å; K383-Q396 PolarHBondContact N-O 3.37Å; K383-Q396 PolarHBondContact O-N 3.44Å
384	L	97.1	Very high	96.1	Very high	27 Å²	27	38 Å²	38	14%	0.141	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	133.2	171	-175.7	62.9	0	0	0	110	Y373 L376 Q377 L393 L395	Y373-L384 HydrophobicContact CD1-CD2 4.12Å; Y373-L384 HydrophobicContact CD2-CD2 3.46Å; Y373-L384 VanDerWaalsContact CD2-CD2 3.46Å; Y373-L384 HydrophobicContact CD2-CG 4.06Å; Y373-L384 HydrophobicContact CE1-CD2 4.18Å; Y373-L384 HydrophobicContact CE2-CD2 3.55Å; Y373-L384 HydrophobicContact CE2-CG 3.83Å; Y373-L384 HydrophobicContact CG-CD2 3.76Å; Y373-L384 VanDerWaalsContact O-CD2 3.29Å; Y373-L384 WeakPolarHBondContact O-CD2 3.39Å; L376-L384 HydrophobicContact CB-CD1 4.36Å; L376-L384 HydrophobicContact CB-CD2 4.08Å; L376-L384 HydrophobicContact CD1-CD1 4.31Å; Q377-L384 HydrophobicContact CG-CD2 3.91Å; L384-L393 HydrophobicContact CD1-CB 4.06Å; L384-L393 HydrophobicContact CD1-CD1 4.45Å; L384-L395 HydrophobicContact CB-CD2 4.19Å; L384-L395 HydrophobicContact CD1-CD2 3.76Å; L384-L395 HydrophobicContact CD1-CG 4.42Å
385	V	94.1	Very high	96.1	Very high	25 Å²	25	30.6 Å²	30.6	15%	0.152	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	144.3	-179.4	-176.5	0	0	0	0	109.9	K383 H394 Q396	K383-V385 HydrophobicContact CD-CG2 4.27Å; K383-V385 HydrophobicContact CG-CG2 4.22Å; V385-H394 HydrophobicContact CB-CB 4.31Å; V385-H394 PolarHBondContact N-O 3.35Å; V385-H394 PolarHBondContact O-N 3.41Å; V385-Q396 HydrophobicContact CG2-CG 4.2Å
386	G	91.5	Very high	96.1	Very high	10 Å²	10	30.5 Å²	30.5	10%	0.103	18%	0.183	C	C	.	.	S	Bend	trans	108.6	179.4	179.9	0	0	0	0	0	114.4	T250 D252 Y373	T250-G386 VanDerWaalsContact O-CA 3.25Å; T250-G386 WeakPolarHBondContact O-CA 3.34Å; T250-G386 PolarHBondContact O-N 3.13Å; D252-G386 WeakPolarHBondContact OD1-CA 3.46Å; Y373-G386 VanDerWaalsContact CE2-O 3.3Å; Y373-G386 WeakPolarHBondContact CE2-O 3.28Å; Y373-G386 PolarHBondContact OH-O 3.2Å
387	E	95.9	Very high	96.1	Very high	64 Å²	64	31.2 Å²	31.2	30%	0.299	19%	0.187	S	C	.	.			trans	-81.1	146.3	179.1	-72.4	-65.7	164.2	0	0	112.8	A251 I253 F389 A390	A251-E387 PolarHBondContact O-N 3.22Å; I253-E387 HydrophobicContact CG2-CG 4.36Å; E387-F389 HydrophobicContact CB-CD1 4.38Å; E387-F389 HydrophobicContact CB-CD2 4.12Å; E387-F389 HydrophobicContact CB-CE1 3.95Å; E387-F389 HydrophobicContact CB-CE2 3.69Å; E387-F389 HydrophobicContact CB-CG 4.47Å; E387-F389 HydrophobicContact CB-CZ 3.6Å; E387-F389 HydrophobicContact CG-CE1 4.28Å; E387-F389 HydrophobicContact CG-CE2 4.11Å; E387-F389 HydrophobicContact CG-CZ 3.72Å; E387-F389 PolarHBondContact O-N 2.71Å; E387-A390 WeakPolarHBondContact O-CB 3.4Å; E387-A390 PolarHBondContact O-N 3.31Å
388	P	97.2	Very high	96.1	Very high	40 Å²	40	32.5 Å²	32.5	26%	0.26	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-22.5	-178.1	-24.4	33.6	0	0	0	115.5	C369 K370 Y373	C369-P388 CarbonylContact C-O 3.6Å; C369-P388 WeakPolarHBondContact CB-O 3.29Å; K370-P388 VanDerWaalsContact CA-O 3.28Å; K370-P388 WeakPolarHBondContact CA-O 3.34Å; K370-P388 HydrophobicContact CG-CB 4.19Å; K370-P388 PolarHBondContact N-O 2.86Å; Y373-P388 HydrophobicContact CD1-CB 3.88Å; Y373-P388 HydrophobicContact CD1-CG 4.04Å; Y373-P388 HydrophobicContact CD2-CB 4.33Å; Y373-P388 HydrophobicContact CE1-CB 4.19Å; Y373-P388 HydrophobicContact CE1-CG 3.82Å; Y373-P388 HydrophobicContact CE2-CG 4.41Å; Y373-P388 HydrophobicContact CG-CB 3.95Å; Y373-P388 HydrophobicContact CG-CG 4.42Å
389	F	95.6	Very high	96.2	Very high	35 Å²	35	37.3 Å²	37.3	15%	0.154	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97	-1.6	-179.4	49.4	-103.2	0	0	0	113.1	M246 L281 R366 E387	M246-F389 HydrophobicContact CE-CD2 3.86Å; M246-F389 HydrophobicContact CE-CE2 3.84Å; L281-F389 HydrophobicContact CD1-CE2 4.35Å; L281-F389 HydrophobicContact CD2-CD2 3.54Å; L281-F389 HydrophobicContact CD2-CE2 3.8Å; L281-F389 HydrophobicContact CD2-CG 4.35Å; R366-F389 HydrophobicContact CB-CB 4.44Å; R366-F389 HydrophobicContact CG-CB 4.31Å; E387-F389 HydrophobicContact CB-CD1 4.38Å; E387-F389 HydrophobicContact CB-CD2 4.12Å; E387-F389 HydrophobicContact CB-CE1 3.95Å; E387-F389 HydrophobicContact CB-CE2 3.69Å; E387-F389 HydrophobicContact CB-CG 4.47Å; E387-F389 HydrophobicContact CB-CZ 3.6Å; E387-F389 HydrophobicContact CG-CE1 4.28Å; E387-F389 HydrophobicContact CG-CE2 4.11Å; E387-F389 HydrophobicContact CG-CZ 3.72Å; E387-F389 PolarHBondContact O-N 2.71Å
390	A	97.5	Very high	96	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.216	C	C	.	.			trans	-68.4	133.6	179.2	0	0	0	0	0	110.9	M246 A251 E387 A392 L393	M246-A390 HydrophobicContact CE-CB 4.18Å; M246-A390 HydrophobicContact SD-CB 3.57Å; M246-A390 VanDerWaalsContact SD-CB 3.57Å; A251-A390 HydrophobicContact CB-CB 3.83Å; E387-A390 WeakPolarHBondContact O-CB 3.4Å; E387-A390 PolarHBondContact O-N 3.31Å; A390-A392 VanDerWaalsContact C-N 3.29Å; A390-A392 PolarHBondContact O-N 2.62Å; A390-L393 HydrophobicContact CB-CD2 4.09Å
391	P	96.9	Very high	95.9	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.212	C	C	.	.	S	Bend	trans	-82.3	-9.3	-176.2	37	-39	0	0	0	112.6	F107 M276 V280 V446 V447	F107-P391 HydrophobicContact CD1-CB 3.61Å; F107-P391 HydrophobicContact CD1-CG 4.02Å; F107-P391 HydrophobicContact CD2-CB 4.25Å; F107-P391 HydrophobicContact CD2-CG 4Å; F107-P391 HydrophobicContact CE1-CB 3.67Å; F107-P391 HydrophobicContact CE1-CG 3.68Å; F107-P391 HydrophobicContact CE2-CB 4.3Å; F107-P391 HydrophobicContact CE2-CG 3.66Å; F107-P391 HydrophobicContact CG-CB 3.92Å; F107-P391 HydrophobicContact CG-CG 4.18Å; F107-P391 HydrophobicContact CZ-CB 4.04Å; F107-P391 HydrophobicContact CZ-CG 3.51Å; M276-P391 HydrophobicContact CE-CG 4.25Å; V280-P391 HydrophobicContact CG1-CG 4.22Å; V280-P391 HydrophobicContact CG2-CG 3.91Å; P391-V446 CarbonylContact O-C 3.04Å; P391-V446 WeakPolarHBondContact O-CA 3.29Å; P391-V447 PolarHBondContact O-N 3.41Å
392	A	96.9	Very high	95.7	Very high	3 Å²	3	42.4 Å²	42.4	3%	0.025	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	102.2	172.9	0	0	0	0	0	108.9	F105 A251 M276 A390 R444 V446	F105-A392 HydrophobicContact CD1-CB 4.42Å; F105-A392 HydrophobicContact CE1-CB 3.8Å; A251-A392 VanDerWaalsContact CB-O 3.3Å; A251-A392 WeakPolarHBondContact CB-O 3.39Å; M276-A392 HydrophobicContact CE-CB 3.5Å; M276-A392 VanDerWaalsContact CE-CB 3.5Å; A390-A392 VanDerWaalsContact C-N 3.29Å; A390-A392 PolarHBondContact O-N 2.62Å; A392-R444 HydrophobicContact CB-CG 4.09Å; A392-V446 HydrophobicContact CB-CG2 4.22Å
393	L	97.2	Very high	95.6	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	152.9	-177	-61.8	174.9	0	0	0	111.1	V372 Y373 L376 L384 A390 R444 V445	V372-L393 HydrophobicContact CG1-CD1 4.07Å; Y373-L393 HydrophobicContact CD2-CD1 4.16Å; Y373-L393 HydrophobicContact CD2-CD2 3.79Å; Y373-L393 HydrophobicContact CE2-CD2 4.46Å; L376-L393 HydrophobicContact CD1-CD1 4.14Å; L384-L393 HydrophobicContact CD1-CB 4.06Å; L384-L393 HydrophobicContact CD1-CD1 4.45Å; A390-L393 HydrophobicContact CB-CD2 4.09Å; L393-R444 CarbonylContact O-C 3.55Å; L393-R444 WeakPolarHBondContact O-CA 3.49Å; L393-V445 HydrophobicContact CB-CB 4.49Å; L393-V445 PolarHBondContact N-O 3.2Å; L393-V445 PolarHBondContact O-N 3.41Å
394	H	97.8	Very high	95.4	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.005	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	121.2	179.9	-75.7	-101.3	0	0	0	111.3	I248 V385 S442	I248-H394 PolarHBondContact O-NE2 2.63Å; V385-H394 HydrophobicContact CB-CB 4.31Å; V385-H394 PolarHBondContact N-O 3.35Å; V385-H394 PolarHBondContact O-N 3.41Å; H394-S442 PolarHBondContact ND1-OG 3.37Å
395	L	97.9	Very high	95.1	Very high	1 Å²	1	44 Å²	44	1%	0.005	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	109.3	169.2	-67.7	171.5	0	0	0	109.2	L376 L382 L384 S442 I443 V445 I463	L376-L395 HydrophobicContact CB-CD2 4.36Å; L376-L395 HydrophobicContact CD1-CD1 4.39Å; L376-L395 HydrophobicContact CD1-CD2 4.5Å; L376-L395 HydrophobicContact CD2-CD1 4.07Å; L382-L395 HydrophobicContact CD1-CD1 4.44Å; L384-L395 HydrophobicContact CB-CD2 4.19Å; L384-L395 HydrophobicContact CD1-CD2 3.76Å; L384-L395 HydrophobicContact CD1-CG 4.42Å; L395-S442 CarbonylContact O-C 3.54Å; L395-S442 WeakPolarHBondContact O-CA 3.47Å; L395-S442 WeakPolarHBondContact O-CB 3.27Å; L395-I443 HydrophobicContact CB-CB 4.27Å; L395-I443 PolarHBondContact N-O 2.82Å; L395-I443 PolarHBondContact O-N 2.8Å; L395-V445 HydrophobicContact CD1-CG2 3.66Å; L395-V445 HydrophobicContact CG-CG2 4.16Å; L395-I463 HydrophobicContact CD1-CD1 4.37Å; L395-I463 HydrophobicContact CD1-CG2 4.06Å
396	Q	97.4	Very high	95.1	Very high	23 Å²	23	44.9 Å²	44.9	11%	0.107	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	161.6	175.8	-66.4	175.4	1.4	0	0	110	L382 K383 V385 P440	L382-Q396 CarbonylContact C-O 3.2Å; L382-Q396 VanDerWaalsContact CA-O 3.28Å; L382-Q396 WeakPolarHBondContact CA-O 3.03Å; L382-Q396 WeakPolarHBondContact CD2-O 3.28Å; K383-Q396 PolarHBondContact N-O 3.37Å; K383-Q396 PolarHBondContact O-N 3.44Å; V385-Q396 HydrophobicContact CG2-CG 4.2Å; Q396-P440 HydrophobicContact CG-CB 4.32Å
397	L	97.4	Very high	95.3	Very high	20 Å²	20	44.8 Å²	44.8	11%	0.105	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	134.7	166	-64.1	177.2	0	0	0	109.3	L382 K399 D407 L410 L411 L471	L382-L397 HydrophobicContact CD2-CD2 4.01Å; L397-K399 VanDerWaalsContact C-N 3.27Å; L397-K399 PolarHBondContact O-N 2.88Å; L397-D407 HydrophobicContact CD1-CB 3.78Å; L397-D407 WeakPolarHBondContact CD1-OD1 3.43Å; L397-L410 HydrophobicContact CD1-CB 4.35Å; L397-L410 HydrophobicContact CD1-CD1 4.07Å; L397-L411 HydrophobicContact CD2-CD2 3.69Å; L397-L411 HydrophobicContact CD2-CG 4.18Å; L397-L411 HydrophobicContact CG-CD1 4.45Å; L397-L411 HydrophobicContact CG-CD2 3.91Å; L397-L411 HydrophobicContact CG-CG 4.05Å; L397-L471 HydrophobicContact CD2-CD1 3.92Å; L397-L471 HydrophobicContact CD2-CD2 3.67Å; L397-L471 HydrophobicContact CD2-CG 4.48Å
398	E	95.7	Very high	95.3	Very high	126 Å²	126	42.9 Å²	42.9	59%	0.589	26%	0.255	S	S	*	.	S	Bend	trans	-64.1	-37.3	176.5	-176.1	175.9	-150.6	0	0	111.3	G381	G381-E398 PolarHBondContact O-N 3.3Å
399	K	93.8	Very high	95.1	Very high	177 Å²	177	47.3 Å²	47.3	77%	0.77	27%	0.272	S	S	*	.	S	Bend	trans	-123.1	116.7	172.8	-64.7	178.5	-176.7	173.6	0	108.8	L397	L397-K399 VanDerWaalsContact C-N 3.27Å; L397-K399 PolarHBondContact O-N 2.88Å
400	S	92.8	Very high	95.1	Very high	76 Å²	76	48.4 Å²	48.4	53%	0.531	28%	0.279	S	S	.	.			trans	-65.2	144.8	171.4	175	0	0	0	0	110.2	G402 D407	S400-G402 PolarHBondContact O-N 3.24Å; S400-G402 PolarHBondContact OG-N 3.13Å; S400-D407 VanDerWaalsContact CB-OD2 3.31Å; S400-D407 WeakPolarHBondContact CB-OD2 3.41Å; S400-D407 PolarHBondContact OG-OD2 3.23Å
401	S	91.3	Very high	95.1	Very high	61 Å²	61	48.4 Å²	48.4	43%	0.427	28%	0.279	S	S	.	.			trans	-71.1	-5	168.9	64.4	0	0	0	0	113.4	S403 S406 D407	S401-S403 PolarHBondContact O-N 2.66Å; S401-S403 PolarHBondContact OG-N 3.33Å; S401-S403 PolarHBondContact OG-O 3.47Å; S401-S406 WeakPolarHBondContact OG-CB 3.5Å; S401-S406 PolarHBondContact OG-OG 2.78Å; S401-D407 WeakPolarHBondContact CB-OD1 3.48Å; S401-D407 PolarHBondContact N-OD1 3.22Å; S401-D407 PolarHBondContact OG-OD1 3.23Å
402	G	91.9	Very high	95.1	Very high	75 Å²	75	52.6 Å²	52.6	77%	0.773	30%	0.295	S	S	*	.	S	Bend	trans	83.4	-5.4	-173	0	0	0	0	0	113.8	S400	S400-G402 PolarHBondContact O-N 3.24Å; S400-G402 PolarHBondContact OG-N 3.13Å
403	S	94.4	Very high	95.1	Very high	48 Å²	48	54.8 Å²	54.8	34%	0.336	31%	0.31	S	S	.	.			trans	-126.3	121.9	174.4	177.1	0	0	0	0	111	S401 S405 S406 D407	S401-S403 PolarHBondContact O-N 2.66Å; S401-S403 PolarHBondContact OG-N 3.33Å; S401-S403 PolarHBondContact OG-O 3.47Å; S403-S405 VanDerWaalsContact C-N 3.26Å; S403-S405 PolarHBondContact O-N 3.34Å; S403-S405 PolarHBondContact OG-OG 2.91Å; S403-S406 PolarHBondContact O-N 3.33Å; S403-S406 VanDerWaalsContact O-N 3.17Å; S403-D407 PolarHBondContact O-N 2.97Å
404	R	93	Very high	95.1	Very high	53 Å²	53	54.8 Å²	54.8	20%	0.2	31%	0.31	C	S	.	.	H	α-helix	trans	-55.9	-40.6	177.4	-173.5	-176.8	179.9	79.7	1	112.3	D407 M408 Y430 E432 T439 P441	R404-D407 PolarHBondContact O-N 3.31Å; R404-M408 HydrophobicContact CG-CG 4.44Å; R404-M408 WeakPolarHBondContact O-CB 3.38Å; R404-M408 VanDerWaalsContact O-CG 3.25Å; R404-M408 WeakPolarHBondContact O-CG 3.48Å; R404-M408 PolarHBondContact O-N 2.99Å; R404-Y430 VanDerWaalsContact NH2-CD2 3.25Å; R404-E432 WeakPolarHBondContact CD-OE1 3.44Å; R404-E432 IonicContact NE-OE1 3.46Å; R404-E432 PolarHBondContact NE-OE1 2.94Å; R404-T439 PolarHBondContact NH1-O 3.45Å; R404-T439 PolarHBondContact NH2-O 2.82Å; R404-P441 HydrophobicContact CG-CG 3.63Å
405	S	91.8	Very high	95.1	Very high	85 Å²	85	55.2 Å²	55.2	59%	0.594	31%	0.313	S	S	*	.	H	α-helix	trans	-67.1	-39.4	-179.1	58.9	0	0	0	0	111.9	S403 Q409	S403-S405 VanDerWaalsContact C-N 3.26Å; S403-S405 PolarHBondContact O-N 3.34Å; S403-S405 PolarHBondContact OG-OG 2.91Å; S405-Q409 WeakPolarHBondContact O-CB 3.42Å; S405-Q409 PolarHBondContact O-N 2.97Å
406	S	94	Very high	95	Very high	44 Å²	44	58.2 Å²	58.2	31%	0.308	33%	0.329	S	S	.	.	H	α-helix	trans	-68	-43.2	175.5	-177.4	0	0	0	0	111.3	S401 S403 Q409 L410	S401-S406 WeakPolarHBondContact OG-CB 3.5Å; S401-S406 PolarHBondContact OG-OG 2.78Å; S403-S406 PolarHBondContact O-N 3.33Å; S403-S406 VanDerWaalsContact O-N 3.17Å; S406-Q409 PolarHBondContact O-N 3.05Å; S406-L410 WeakPolarHBondContact O-CG 3.27Å; S406-L410 PolarHBondContact O-N 3.35Å
407	D	95.7	Very high	95	Very high	9 Å²	9	58.5 Å²	58.5	5%	0.048	33%	0.329	C	S	.	.	H	α-helix	trans	-60.7	-46	174.9	-69.9	-7.6	0	0	0	111.8	L397 S400 S401 S403 R404 Q409 L410 L411 P441	L397-D407 HydrophobicContact CD1-CB 3.78Å; L397-D407 WeakPolarHBondContact CD1-OD1 3.43Å; S400-D407 VanDerWaalsContact CB-OD2 3.31Å; S400-D407 WeakPolarHBondContact CB-OD2 3.41Å; S400-D407 PolarHBondContact OG-OD2 3.23Å; S401-D407 WeakPolarHBondContact CB-OD1 3.48Å; S401-D407 PolarHBondContact N-OD1 3.22Å; S401-D407 PolarHBondContact OG-OD1 3.23Å; S403-D407 PolarHBondContact O-N 2.97Å; R404-D407 PolarHBondContact O-N 3.31Å; D407-Q409 VanDerWaalsContact C-N 3.29Å; D407-Q409 PolarHBondContact O-N 3.21Å; D407-L410 PolarHBondContact O-N 3.23Å; D407-L411 WeakPolarHBondContact O-CB 3.2Å; D407-L411 VanDerWaalsContact O-CG 3.3Å; D407-L411 WeakPolarHBondContact O-CG 3.4Å; D407-L411 PolarHBondContact O-N 3.29Å; D407-P441 HydrophobicContact CB-CB 4.11Å; D407-P441 HydrophobicContact CB-CG 3.95Å
408	M	94.4	Very high	95	Very high	23 Å²	23	57.6 Å²	57.6	11%	0.113	32%	0.324	C	S	.	.	H	α-helix	trans	-59.8	-38.8	174.3	-76.8	-68.7	-73.2	0	0	111.8	R404 R412 L427 Q429 P441	R404-M408 HydrophobicContact CG-CG 4.44Å; R404-M408 WeakPolarHBondContact O-CB 3.38Å; R404-M408 VanDerWaalsContact O-CG 3.25Å; R404-M408 WeakPolarHBondContact O-CG 3.48Å; R404-M408 PolarHBondContact O-N 2.99Å; M408-R412 VanDerWaalsContact O-CB 3.22Å; M408-R412 WeakPolarHBondContact O-CB 3.27Å; M408-R412 PolarHBondContact O-N 3.18Å; M408-L427 HydrophobicContact CE-CB 4.35Å; M408-L427 HydrophobicContact CE-CD1 4.05Å; M408-Q429 VanDerWaalsContact CE-OE1 3.27Å; M408-P441 HydrophobicContact CG-CB 3.89Å; M408-P441 HydrophobicContact CG-CG 3.86Å; M408-P441 HydrophobicContact SD-CB 3.62Å; M408-P441 HydrophobicContact SD-CG 4.09Å
409	Q	94	Very high	95.1	Very high	134 Å²	134	52.7 Å²	52.7	63%	0.626	30%	0.302	S	S	*	.	H	α-helix	trans	-68.3	-43.5	178.6	-173.1	173.6	-2.1	0	0	112	S405 S406 D407 R412 S413	S405-Q409 WeakPolarHBondContact O-CB 3.42Å; S405-Q409 PolarHBondContact O-N 2.97Å; S406-Q409 PolarHBondContact O-N 3.05Å; D407-Q409 VanDerWaalsContact C-N 3.29Å; D407-Q409 PolarHBondContact O-N 3.21Å; Q409-R412 WeakPolarHBondContact O-CB 3.21Å; Q409-R412 PolarHBondContact O-N 3.04Å; Q409-S413 PolarHBondContact O-N 2.97Å; Q409-S413 PolarHBondContact O-OG 2.87Å
410	L	96.1	Very high	95.2	Very high	57 Å²	57	50.5 Å²	50.5	30%	0.298	30%	0.295	S	S	.	.	H	α-helix	trans	-61.2	-47.7	175.7	-73.7	170.9	0	0	0	111.5	L397 S406 D407 R412 S413 I414 L471	L397-L410 HydrophobicContact CD1-CB 4.35Å; L397-L410 HydrophobicContact CD1-CD1 4.07Å; S406-L410 WeakPolarHBondContact O-CG 3.27Å; S406-L410 PolarHBondContact O-N 3.35Å; D407-L410 PolarHBondContact O-N 3.23Å; L410-R412 VanDerWaalsContact C-N 3.29Å; L410-R412 PolarHBondContact O-N 3.45Å; L410-S413 WeakPolarHBondContact O-CB 3.32Å; L410-S413 PolarHBondContact O-N 2.86Å; L410-I414 PolarHBondContact O-N 3.46Å; L410-I414 VanDerWaalsContact O-N 3.17Å; L410-L471 HydrophobicContact CB-CD2 4.37Å
411	L	97.3	Very high	95.5	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-63.3	-36.8	176.1	-67.1	172.1	0	0	0	111.4	L382 L397 D407 I414 V415 L427 P441 I443	L382-L411 HydrophobicContact CD2-CD2 4.03Å; L397-L411 HydrophobicContact CD2-CD2 3.69Å; L397-L411 HydrophobicContact CD2-CG 4.18Å; L397-L411 HydrophobicContact CG-CD1 4.45Å; L397-L411 HydrophobicContact CG-CD2 3.91Å; L397-L411 HydrophobicContact CG-CG 4.05Å; D407-L411 WeakPolarHBondContact O-CB 3.2Å; D407-L411 VanDerWaalsContact O-CG 3.3Å; D407-L411 WeakPolarHBondContact O-CG 3.4Å; D407-L411 PolarHBondContact O-N 3.29Å; L411-I414 HydrophobicContact CD2-CD1 4.49Å; L411-I414 WeakPolarHBondContact O-CB 3.16Å; L411-I414 PolarHBondContact O-N 3.16Å; L411-V415 WeakPolarHBondContact O-CG2 3.31Å; L411-V415 PolarHBondContact O-N 3.4Å; L411-L427 HydrophobicContact CB-CD2 3.62Å; L411-P441 VanDerWaalsContact CD1-C 3.4Å; L411-P441 HydrophobicContact CD1-CB 3.63Å; L411-P441 WeakPolarHBondContact CD1-O 3.31Å; L411-I443 HydrophobicContact CB-CD1 4.38Å; L411-I443 HydrophobicContact CB-CG1 4.05Å; L411-I443 HydrophobicContact CD2-CD1 3.91Å; L411-I443 HydrophobicContact CD2-CG1 4Å
412	R	95.9	Very high	95.7	Very high	88 Å²	88	53.9 Å²	53.9	33%	0.332	29%	0.29	S	S	.	.	H	α-helix	trans	-61.1	-43.8	173.5	-169.2	170.1	-175.2	152.3	5.9	111.7	M408 Q409 L410 I414 V415 D416 L427	M408-R412 VanDerWaalsContact O-CB 3.22Å; M408-R412 WeakPolarHBondContact O-CB 3.27Å; M408-R412 PolarHBondContact O-N 3.18Å; Q409-R412 WeakPolarHBondContact O-CB 3.21Å; Q409-R412 PolarHBondContact O-N 3.04Å; L410-R412 VanDerWaalsContact C-N 3.29Å; L410-R412 PolarHBondContact O-N 3.45Å; R412-I414 PolarHBondContact O-N 3.14Å; R412-V415 WeakPolarHBondContact O-CB 3.36Å; R412-V415 PolarHBondContact O-N 2.8Å; R412-V415 VanDerWaalsContact O-N 3.08Å; R412-D416 PolarHBondContact O-N 2.95Å; R412-L427 HydrophobicContact CB-CD1 3.79Å; R412-L427 HydrophobicContact CG-CD1 4.18Å
413	S	96.6	Very high	96	Very high	49 Å²	49	50.3 Å²	50.3	34%	0.343	25%	0.253	S	S	.	.	H	α-helix	trans	-59.8	-36.1	176.2	-62	0	0	0	0	112.1	Q409 L410 Y417	Q409-S413 PolarHBondContact O-N 2.97Å; Q409-S413 PolarHBondContact O-OG 2.87Å; L410-S413 WeakPolarHBondContact O-CB 3.32Å; L410-S413 PolarHBondContact O-N 2.86Å; S413-Y417 WeakPolarHBondContact O-CB 3.21Å; S413-Y417 PolarHBondContact O-N 3.29Å
414	I	97.9	Very high	96.2	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-65.4	-45.2	172.9	-66.6	170	0	0	0	111.1	L382 L410 L411 R412 Y417 C418 I443 A466 L470 L471	L382-I414 HydrophobicContact CD2-CD1 4.26Å; L410-I414 PolarHBondContact O-N 3.46Å; L410-I414 VanDerWaalsContact O-N 3.17Å; L411-I414 HydrophobicContact CD2-CD1 4.49Å; L411-I414 WeakPolarHBondContact O-CB 3.16Å; L411-I414 PolarHBondContact O-N 3.16Å; R412-I414 PolarHBondContact O-N 3.14Å; I414-Y417 PolarHBondContact O-N 2.91Å; I414-C418 PolarHBondContact O-N 3.41Å; I414-C418 PolarHBondContact O-SG 2.86Å; I414-I443 HydrophobicContact CB-CD1 3.89Å; I414-I443 HydrophobicContact CD1-CD1 4.44Å; I414-I443 HydrophobicContact CG2-CD1 3.55Å; I414-A466 HydrophobicContact CB-CB 4.42Å; I414-A466 HydrophobicContact CG1-CB 4.41Å; I414-A466 HydrophobicContact CG2-CB 3.89Å; I414-L470 HydrophobicContact CB-CD1 4.49Å; I414-L470 HydrophobicContact CG1-CD1 3.82Å; I414-L471 HydrophobicContact CD1-CD1 3.93Å; I414-L471 HydrophobicContact CD1-CD2 4.17Å; I414-L471 HydrophobicContact CD1-CG 4.09Å
415	V	97.2	Very high	96.4	Very high	10 Å²	10	46.3 Å²	46.3	6%	0.061	23%	0.232	C	C	.	.	H	α-helix	trans	-61.2	-47	177.6	171.1	0	0	0	0	111.2	L411 R412 C418 L419 L425 L427 I443	L411-V415 WeakPolarHBondContact O-CG2 3.31Å; L411-V415 PolarHBondContact O-N 3.4Å; R412-V415 WeakPolarHBondContact O-CB 3.36Å; R412-V415 PolarHBondContact O-N 2.8Å; R412-V415 VanDerWaalsContact O-N 3.08Å; V415-C418 PolarHBondContact O-N 3.01Å; V415-L419 WeakPolarHBondContact O-CB 3.47Å; V415-L419 PolarHBondContact O-N 2.9Å; V415-L425 HydrophobicContact CG1-CB 4.24Å; V415-L425 WeakPolarHBondContact CG1-O 3.34Å; V415-L425 HydrophobicContact CG2-CB 4.15Å; V415-L427 HydrophobicContact CG2-CD2 3.84Å; V415-L427 HydrophobicContact CG2-CG 4.16Å; V415-I443 HydrophobicContact CG2-CD1 4.18Å; V415-I443 HydrophobicContact CG2-CG1 3.85Å; V415-I443 HydrophobicContact CG2-CG2 4.05Å
416	D	96.2	Very high	96.5	Very high	64 Å²	64	44.7 Å²	44.7	34%	0.342	22%	0.219	S	C	.	.	H	α-helix	trans	-64.1	-42.3	179.9	-68.3	-22.3	0	0	0	110.9	R412 C418 L419 E420	R412-D416 PolarHBondContact O-N 2.95Å; D416-C418 VanDerWaalsContact C-N 3.31Å; D416-C418 PolarHBondContact O-N 3.42Å; D416-L419 WeakPolarHBondContact O-CB 3.49Å; D416-L419 PolarHBondContact O-N 3.45Å; D416-E420 WeakPolarHBondContact O-CG 3.46Å; D416-E420 PolarHBondContact O-N 3.38Å
417	Y	97.6	Very high	96.6	Very high	30 Å²	30	43.2 Å²	43.2	12%	0.118	21%	0.207	C	C	.	.	H	α-helix	trans	-58.9	-41.4	174.3	-176.4	-79.2	0	0	0	112.5	S413 I414 R421 E465 A466	S413-Y417 WeakPolarHBondContact O-CB 3.21Å; S413-Y417 PolarHBondContact O-N 3.29Å; I414-Y417 PolarHBondContact O-N 2.91Å; Y417-R421 VanDerWaalsContact CE1-NE 3.28Å; Y417-R421 VanDerWaalsContact CZ-NH1 3.31Å; Y417-R421 VanDerWaalsContact CZ-NH2 3.28Å; Y417-R421 PolarHBondContact O-N 3.13Å; Y417-R421 PolarHBondContact OH-NE 3.03Å; Y417-R421 PolarHBondContact OH-NH2 3.46Å; Y417-E465 HydrophobicContact CE1-CB 4.49Å; Y417-E465 HydrophobicContact CE1-CG 4.41Å; Y417-E465 WeakPolarHBondContact OH-CG 3.33Å; Y417-E465 PolarHBondContact OH-OE1 3.11Å; Y417-A466 HydrophobicContact CD1-CB 3.4Å; Y417-A466 HydrophobicContact CE1-CB 3.83Å; Y417-A466 HydrophobicContact CG-CB 3.91Å
418	C	97.9	Very high	96.5	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-68.7	-40.1	176.7	-68.1	0	0	0	0	111.8	I414 V415 D416 E420 R421 K422 V423 L425 C462	I414-C418 PolarHBondContact O-N 3.41Å; I414-C418 PolarHBondContact O-SG 2.86Å; V415-C418 PolarHBondContact O-N 3.01Å; D416-C418 VanDerWaalsContact C-N 3.31Å; D416-C418 PolarHBondContact O-N 3.42Å; C418-E420 VanDerWaalsContact C-N 3.33Å; C418-E420 PolarHBondContact O-N 2.93Å; C418-R421 CarbonylContact O-C 3.49Å; C418-R421 WeakPolarHBondContact O-CA 3.48Å; C418-R421 PolarHBondContact O-N 3.13Å; C418-K422 PolarHBondContact O-N 3.1Å; C418-V423 CarbonylContact C-O 3.57Å; C418-V423 HydrophobicContact CB-CB 4.15Å; C418-V423 HydrophobicContact CB-CG1 4.45Å; C418-V423 PolarHBondContact O-N 3.44Å; C418-L425 HydrophobicContact CB-CD1 3.83Å; C418-C462 VanDerWaalsContact SG-SG 3.67Å
419	L	97	Very high	96.3	Very high	24 Å²	24	47.4 Å²	47.4	13%	0.126	23%	0.226	C	C	.	.	H	α-helix	trans	-62.2	-40.6	178	-176.2	63.3	0	0	0	111.5	V94 V415 D416 R421 K422 V423 A424	V94-L419 HydrophobicContact CB-CD1 4.08Å; V94-L419 HydrophobicContact CG1-CD1 4.02Å; V94-L419 HydrophobicContact CG1-CD2 4.38Å; V415-L419 WeakPolarHBondContact O-CB 3.47Å; V415-L419 PolarHBondContact O-N 2.9Å; D416-L419 WeakPolarHBondContact O-CB 3.49Å; D416-L419 PolarHBondContact O-N 3.45Å; L419-R421 PolarHBondContact O-N 2.87Å; L419-K422 PolarHBondContact O-N 3.33Å; L419-V423 WeakPolarHBondContact CA-O 3.18Å; L419-V423 PolarHBondContact N-O 2.91Å; L419-A424 HydrophobicContact CD1-CB 4.48Å
420	E	96.8	Very high	96.1	Very high	131 Å²	131	42.1 Å²	42.1	61%	0.612	20%	0.201	S	C	*	.	H	α-helix	trans	-59.1	-32.1	173.3	-72.8	-179.5	172.2	0	0	112.9	D416 C418 K422	D416-E420 WeakPolarHBondContact O-CG 3.46Å; D416-E420 PolarHBondContact O-N 3.38Å; C418-E420 VanDerWaalsContact C-N 3.33Å; C418-E420 PolarHBondContact O-N 2.93Å; E420-K422 VanDerWaalsContact C-N 3.29Å; E420-K422 PolarHBondContact O-N 3.23Å
421	R	97.5	Very high	95.8	Very high	90 Å²	90	44 Å²	44	34%	0.34	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	16.4	176.2	-73.8	167.5	175.7	63.6	4.7	113.6	Y417 C418 L419 C462 E465	Y417-R421 VanDerWaalsContact CE1-NE 3.28Å; Y417-R421 VanDerWaalsContact CZ-NH1 3.31Å; Y417-R421 VanDerWaalsContact CZ-NH2 3.28Å; Y417-R421 PolarHBondContact O-N 3.13Å; Y417-R421 PolarHBondContact OH-NE 3.03Å; Y417-R421 PolarHBondContact OH-NH2 3.46Å; C418-R421 CarbonylContact O-C 3.49Å; C418-R421 WeakPolarHBondContact O-CA 3.48Å; C418-R421 PolarHBondContact O-N 3.13Å; L419-R421 PolarHBondContact O-N 2.87Å; R421-C462 VanDerWaalsContact CD-SG 3.55Å; R421-E465 IonicContact NE-OE1 2.81Å; R421-E465 IonicContact NE-OE2 2.69Å; R421-E465 IonicContact NH2-OE1 2.83Å
422	K	97.4	Very high	95.3	Very high	118 Å²	118	48.9 Å²	48.9	51%	0.513	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.6	35.2	176.5	-53.2	-179.5	178.7	-176.6	0	113.6	E98 C99 I100 C418 L419 E420	E98-K422 WeakPolarHBondContact O-CB 3.25Å; E98-K422 WeakPolarHBondContact O-CD 3.36Å; E98-K422 WeakPolarHBondContact O-CG 3.49Å; C99-K422 CarbonylContact C-O 3.3Å; C99-K422 VanDerWaalsContact CA-O 3.28Å; C99-K422 WeakPolarHBondContact CA-O 3.43Å; I100-K422 PolarHBondContact N-O 3Å; C418-K422 PolarHBondContact O-N 3.1Å; L419-K422 PolarHBondContact O-N 3.33Å; E420-K422 VanDerWaalsContact C-N 3.29Å; E420-K422 PolarHBondContact O-N 3.23Å
423	V	97.9	Very high	94.9	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	111	171.4	179.1	0	0	0	0	108.1	F102 C418 L419 L425 A459 C462	F102-V423 HydrophobicContact CD2-CG1 4.44Å; C418-V423 CarbonylContact C-O 3.57Å; C418-V423 HydrophobicContact CB-CB 4.15Å; C418-V423 HydrophobicContact CB-CG1 4.45Å; C418-V423 PolarHBondContact O-N 3.44Å; L419-V423 WeakPolarHBondContact CA-O 3.18Å; L419-V423 PolarHBondContact N-O 2.91Å; V423-L425 HydrophobicContact CG1-CD1 4.46Å; V423-L425 HydrophobicContact CG1-CG 4.27Å; V423-A459 HydrophobicContact CG1-CB 3.76Å; V423-A459 HydrophobicContact CG2-CB 4.48Å; V423-C462 HydrophobicContact CG2-CB 4.21Å
424	A	97.4	Very high	94.6	Very high	5 Å²	5	57.4 Å²	57.4	4%	0.041	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	117.5	-179.1	0	0	0	0	0	110.4	I92 V94 C99 I100 F102 A103 L419	I92-A424 HydrophobicContact CG2-CB 3.9Å; V94-A424 HydrophobicContact CG2-CB 4.29Å; C99-A424 HydrophobicContact CB-CB 3.92Å; I100-A424 PolarHBondContact O-N 2.83Å; F102-A424 CarbonylContact C-O 3.59Å; F102-A424 WeakPolarHBondContact CA-O 3.32Å; F102-A424 PolarHBondContact N-O 2.81Å; A103-A424 PolarHBondContact N-O 2.99Å; L419-A424 HydrophobicContact CD1-CB 4.48Å
425	L	96.9	Very high	94.4	Very high	12 Å²	12	58.4 Å²	58.4	6%	0.063	27%	0.273	C	S	.	.			trans	-123.7	166.3	174.8	-67.5	167.2	0	0	0	109.2	F102 V415 C418 V423 I443 V445 I463	F102-L425 HydrophobicContact CB-CD2 3.66Å; V415-L425 HydrophobicContact CG1-CB 4.24Å; V415-L425 WeakPolarHBondContact CG1-O 3.34Å; V415-L425 HydrophobicContact CG2-CB 4.15Å; C418-L425 HydrophobicContact CB-CD1 3.83Å; V423-L425 HydrophobicContact CG1-CD1 4.46Å; V423-L425 HydrophobicContact CG1-CG 4.27Å; L425-I443 HydrophobicContact CB-CG2 4.1Å; L425-I443 HydrophobicContact CD1-CG2 4.28Å; L425-I443 HydrophobicContact CD2-CG2 4.39Å; L425-V445 HydrophobicContact CD2-CG1 4.35Å; L425-V445 HydrophobicContact CD2-CG2 4.1Å; L425-I463 HydrophobicContact CD1-CD1 3.9Å; L425-I463 HydrophobicContact CD1-CG1 3.74Å; L425-I463 HydrophobicContact CD2-CD1 4.41Å
426	T	94.8	Very high	94.2	Very high	50 Å²	50	65.9 Å²	65.9	31%	0.307	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	154.1	173.2	-167.3	0	0	0	0	111.3	A103 R444	A103-T426 HydrophobicContact CB-CG2 4.45Å; T426-R444 HydrophobicContact CG2-CB 4.01Å; T426-R444 PolarHBondContact O-N 3.36Å
427	L	95.2	Very high	94	Very high	13 Å²	13	65.9 Å²	65.9	7%	0.068	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	144.8	166.9	-63.6	174.8	0	0	0	109.4	M408 L411 R412 V415 Q429 I443	M408-L427 HydrophobicContact CE-CB 4.35Å; M408-L427 HydrophobicContact CE-CD1 4.05Å; L411-L427 HydrophobicContact CB-CD2 3.62Å; R412-L427 HydrophobicContact CB-CD1 3.79Å; R412-L427 HydrophobicContact CG-CD1 4.18Å; V415-L427 HydrophobicContact CG2-CD2 3.84Å; V415-L427 HydrophobicContact CG2-CG 4.16Å; L427-Q429 HydrophobicContact CB-CG 4.46Å; L427-Q429 PolarHBondContact O-N 3.46Å; L427-I443 HydrophobicContact CD2-CG1 3.81Å
428	A	94.4	Very high	93.7	Very high	0 Å²	0	67.6 Å²	67.6	0%	0	31%	0.308	C	S	.	.			trans	-69.1	110.1	162.5	0	0	0	0	0	108.2	Y430 S442	A428-Y430 HydrophobicContact CB-CE2 3.68Å; A428-Y430 WeakPolarHBondContact O-CE2 3.47Å; A428-S442 PolarHBondContact N-O 3.17Å
429	Q	89.6	Confident	93.4	Very high	120 Å²	120	68.4 Å²	68.4	56%	0.561	31%	0.313	S	S	*	.			trans	-102.7	141.9	-178.2	-68.6	-73.2	3.4	0	0	110.3	M408 L427	M408-Q429 VanDerWaalsContact CE-OE1 3.27Å; L427-Q429 HydrophobicContact CB-CG 4.46Å; L427-Q429 PolarHBondContact O-N 3.46Å
430	Y	91.3	Very high	93.3	Very high	23 Å²	23	70.5 Å²	70.5	9%	0.09	33%	0.328	C	S	.	.			trans	-136.8	149.2	-173.9	-61.2	-77	0	0	0	110.3	N249 R404 A428 E432 E435 L438 T439	N249-Y430 WeakPolarHBondContact OD1-CE1 3.43Å; N249-Y430 PolarHBondContact OD1-OH 2.83Å; R404-Y430 VanDerWaalsContact NH2-CD2 3.25Å; A428-Y430 HydrophobicContact CB-CE2 3.68Å; A428-Y430 WeakPolarHBondContact O-CE2 3.47Å; Y430-E432 PolarHBondContact O-N 3.01Å; Y430-E435 WeakPolarHBondContact CA-OE1 3.35Å; Y430-E435 WeakPolarHBondContact CB-OE1 3.36Å; Y430-E435 WeakPolarHBondContact CD1-OE1 3.16Å; Y430-E435 WeakPolarHBondContact CD1-OE2 3.27Å; Y430-L438 HydrophobicContact CG-CD2 4.4Å; Y430-T439 WeakPolarHBondContact CE2-OG1 3.37Å; Y430-T439 PolarHBondContact OH-OG1 3.25Å
431	L	90.1	Very high	93.2	Very high	96 Å²	96	64.8 Å²	64.8	50%	0.503	30%	0.302	S	S	.	.			trans	-85.8	85	173.8	-66.5	177.2	0	0	0	109.5	F192 K433 E434 E435	F192-L431 HydrophobicContact CD1-CD1 4.36Å; F192-L431 HydrophobicContact CE1-CD1 3.51Å; F192-L431 HydrophobicContact CZ-CB 4.46Å; F192-L431 HydrophobicContact CZ-CD1 3.56Å; L431-K433 PolarHBondContact O-N 3.34Å; L431-E434 HydrophobicContact CB-CB 3.92Å; L431-E434 HydrophobicContact CB-CG 4.41Å; L431-E434 PolarHBondContact O-N 2.91Å; L431-E435 HydrophobicContact CB-CG 4.44Å; L431-E435 PolarHBondContact N-OE1 2.88Å; L431-E435 PolarHBondContact O-N 3.2Å
432	E	86.4	Confident	93.2	Very high	104 Å²	104	60.5 Å²	60.5	49%	0.486	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-28	-169.7	-60.6	-173	169.7	0	0	115.7	R404 Y430 L438	R404-E432 WeakPolarHBondContact CD-OE1 3.44Å; R404-E432 IonicContact NE-OE1 3.46Å; R404-E432 PolarHBondContact NE-OE1 2.94Å; Y430-E432 PolarHBondContact O-N 3.01Å; E432-L438 HydrophobicContact CB-CD1 4.1Å; E432-L438 HydrophobicContact CG-CD1 4.17Å
433	K	87.8	Confident	93.3	Very high	208 Å²	208	54.9 Å²	54.9	90%	0.904	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-18.8	178.6	-64	-176.5	179.4	179.8	0	113.8	L431	L431-K433 PolarHBondContact O-N 3.34Å
434	E	89.8	Confident	93.2	Very high	108 Å²	108	56.1 Å²	56.1	51%	0.505	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.4	-31.4	-170.6	-70	-76	164.3	0	0	112.2	F192 K196 L431	F192-E434 HydrophobicContact CE2-CB 3.94Å; F192-E434 HydrophobicContact CZ-CB 3.99Å; K196-E434 IonicContact NZ-OE2 2.97Å; K196-E434 PolarHBondContact NZ-OE2 3.23Å; L431-E434 HydrophobicContact CB-CB 3.92Å; L431-E434 HydrophobicContact CB-CG 4.41Å; L431-E434 PolarHBondContact O-N 2.91Å
435	E	92.9	Very high	93.2	Very high	20 Å²	20	56 Å²	56	9%	0.093	27%	0.265	C	S	.	.			trans	-80.9	133.4	178.7	-73.7	-170.4	-119.5	0	0	111.2	F192 Y430 L431 L438	F192-E435 HydrophobicContact CB-CG 4.49Å; F192-E435 HydrophobicContact CD2-CG 3.38Å; F192-E435 HydrophobicContact CE2-CG 3.69Å; F192-E435 HydrophobicContact CG-CG 4.14Å; Y430-E435 WeakPolarHBondContact CA-OE1 3.35Å; Y430-E435 WeakPolarHBondContact CB-OE1 3.36Å; Y430-E435 WeakPolarHBondContact CD1-OE1 3.16Å; Y430-E435 WeakPolarHBondContact CD1-OE2 3.27Å; L431-E435 HydrophobicContact CB-CG 4.44Å; L431-E435 PolarHBondContact N-OE1 2.88Å; L431-E435 PolarHBondContact O-N 3.2Å; E435-L438 HydrophobicContact CB-CD2 3.82Å
436	R	92.8	Very high	93.3	Very high	167 Å²	167	55.5 Å²	55.5	63%	0.63	26%	0.263	S	S	*	.	S	Bend	trans	-78.3	-39.3	-172.7	-170.2	173.6	179.8	97.4	1.4	113.1	Y207	Y207-R436 VanDerWaalsContact CE2-CD 3.46Å
437	F	92.6	Very high	93.4	Very high	65 Å²	65	53.1 Å²	53.1	29%	0.285	25%	0.248	S	C	.	.	S	Bend	trans	-125.5	113.5	-179.3	-60.1	-83.2	0	0	0	108.2	E188 Y207	E188-F437 HydrophobicContact CB-CD1 4.05Å; E188-F437 HydrophobicContact CB-CD2 3.93Å; E188-F437 HydrophobicContact CB-CE1 4.14Å; E188-F437 HydrophobicContact CB-CE2 4.04Å; E188-F437 HydrophobicContact CB-CG 3.94Å; E188-F437 HydrophobicContact CB-CZ 4.14Å; E188-F437 VanDerWaalsContact O-CB 3.28Å; E188-F437 WeakPolarHBondContact O-CB 3.33Å; E188-F437 WeakPolarHBondContact O-CD2 3.33Å; Y207-F437 HydrophobicContact CD1-CD2 4.15Å; Y207-F437 AromaticContact CD1-CE2 3.34Å; Y207-F437 HydrophobicContact CD1-CE2 3.34Å; Y207-F437 HydrophobicContact CD1-CZ 4.08Å; Y207-F437 AromaticContact CD2-CE2 3.98Å; Y207-F437 HydrophobicContact CD2-CE2 3.98Å; Y207-F437 HydrophobicContact CD2-CZ 4.23Å; Y207-F437 HydrophobicContact CE1-CD2 4.2Å; Y207-F437 AromaticContact CE1-CE2 3.6Å; Y207-F437 HydrophobicContact CE1-CE2 3.6Å; Y207-F437 HydrophobicContact CE2-CE2 4.2Å; Y207-F437 AromaticContact CG-CE2 3.54Å; Y207-F437 HydrophobicContact CG-CE2 3.54Å; Y207-F437 AromaticContact CG-CZ 3.85Å; Y207-F437 HydrophobicContact CG-CZ 3.85Å
438	L	90.9	Very high	93.4	Very high	66 Å²	66	52.9 Å²	52.9	35%	0.346	25%	0.247	S	C	.	.	P	Polyproline II helix	trans	-94.4	123.9	179.4	-65.2	173.3	0	0	0	109.3	Y430 E432 E435	Y430-L438 HydrophobicContact CG-CD2 4.4Å; E432-L438 HydrophobicContact CB-CD1 4.1Å; E432-L438 HydrophobicContact CG-CD1 4.17Å; E435-L438 HydrophobicContact CB-CD2 3.82Å
439	T	91.9	Very high	93.5	Very high	16 Å²	16	53.8 Å²	53.8	10%	0.098	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-72.9	155.9	168.9	55.4	0	0	0	0	110.9	N249 T250 R404 Y430	N249-T439 HydrophobicContact CB-CG2 3.79Å; T250-T439 HydrophobicContact CG2-CG2 4.25Å; R404-T439 PolarHBondContact NH1-O 3.45Å; R404-T439 PolarHBondContact NH2-O 2.82Å; Y430-T439 WeakPolarHBondContact CE2-OG1 3.37Å; Y430-T439 PolarHBondContact OH-OG1 3.25Å
440	P	94.1	Very high	93.8	Very high	69 Å²	69	52.9 Å²	52.9	45%	0.448	25%	0.247	S	C	.	.	P	Polyproline II helix	trans	-54.8	142.3	175.5	-25	34	0	0	0	112.1	Q396 S442	Q396-P440 HydrophobicContact CG-CB 4.32Å; P440-S442 PolarHBondContact O-N 3.5Å
441	P	96.4	Very high	94	Very high	11 Å²	11	51.9 Å²	51.9	7%	0.071	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-47.3	134.7	173.2	-33.7	41.8	0	0	0	112.4	R404 D407 M408 L411	R404-P441 HydrophobicContact CG-CG 3.63Å; D407-P441 HydrophobicContact CB-CB 4.11Å; D407-P441 HydrophobicContact CB-CG 3.95Å; M408-P441 HydrophobicContact CG-CB 3.89Å; M408-P441 HydrophobicContact CG-CG 3.86Å; M408-P441 HydrophobicContact SD-CB 3.62Å; M408-P441 HydrophobicContact SD-CG 4.09Å; L411-P441 VanDerWaalsContact CD1-C 3.4Å; L411-P441 HydrophobicContact CD1-CB 3.63Å; L411-P441 WeakPolarHBondContact CD1-O 3.31Å
442	S	97.6	Very high	94.2	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	152.9	-179.5	43.8	0	0	0	0	112.8	H394 L395 A428 P440	H394-S442 PolarHBondContact ND1-OG 3.37Å; L395-S442 CarbonylContact O-C 3.54Å; L395-S442 WeakPolarHBondContact O-CA 3.47Å; L395-S442 WeakPolarHBondContact O-CB 3.27Å; A428-S442 PolarHBondContact N-O 3.17Å; P440-S442 PolarHBondContact O-N 3.5Å
443	I	98.1	Very high	94.7	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	128	162.4	-59.8	163.9	0	0	0	106.9	L395 L411 I414 V415 L425 L427 V445	L395-I443 HydrophobicContact CB-CB 4.27Å; L395-I443 PolarHBondContact N-O 2.82Å; L395-I443 PolarHBondContact O-N 2.8Å; L411-I443 HydrophobicContact CB-CD1 4.38Å; L411-I443 HydrophobicContact CB-CG1 4.05Å; L411-I443 HydrophobicContact CD2-CD1 3.91Å; L411-I443 HydrophobicContact CD2-CG1 4Å; I414-I443 HydrophobicContact CB-CD1 3.89Å; I414-I443 HydrophobicContact CD1-CD1 4.44Å; I414-I443 HydrophobicContact CG2-CD1 3.55Å; V415-I443 HydrophobicContact CG2-CD1 4.18Å; V415-I443 HydrophobicContact CG2-CG1 3.85Å; V415-I443 HydrophobicContact CG2-CG2 4.05Å; L425-I443 HydrophobicContact CB-CG2 4.1Å; L425-I443 HydrophobicContact CD1-CG2 4.28Å; L425-I443 HydrophobicContact CD2-CG2 4.39Å; L427-I443 HydrophobicContact CD2-CG1 3.81Å; I443-V445 HydrophobicContact CG2-CG2 4.34Å
444	R	97.3	Very high	95.1	Very high	25 Å²	25	48.2 Å²	48.2	9%	0.094	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	121.4	173.7	-171.8	178	-73.7	147.2	-5	109	F105 I248 A392 L393 T426 V446	F105-R444 VanDerWaalsContact CZ-CD 3.42Å; I248-R444 PolarHBondContact O-NH2 2.82Å; A392-R444 HydrophobicContact CB-CG 4.09Å; L393-R444 CarbonylContact O-C 3.55Å; L393-R444 WeakPolarHBondContact O-CA 3.49Å; T426-R444 HydrophobicContact CG2-CB 4.01Å; T426-R444 PolarHBondContact O-N 3.36Å; R444-V446 HydrophobicContact CG-CG2 3.95Å
445	V	97.5	Very high	95.5	Very high	3 Å²	3	44 Å²	44	2%	0.018	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	108.1	176.9	-172.4	0	0	0	0	108.3	F102 V372 L376 L393 L395 L425 I443	F102-V445 HydrophobicContact CB-CG1 4.22Å; F102-V445 HydrophobicContact CD1-CG1 3.71Å; F102-V445 HydrophobicContact CG-CG1 4.29Å; V372-V445 HydrophobicContact CG1-CG1 4.33Å; L376-V445 HydrophobicContact CD1-CB 4.2Å; L376-V445 HydrophobicContact CD1-CG1 4.11Å; L376-V445 HydrophobicContact CD1-CG2 4.15Å; L393-V445 HydrophobicContact CB-CB 4.49Å; L393-V445 PolarHBondContact N-O 3.2Å; L393-V445 PolarHBondContact O-N 3.41Å; L395-V445 HydrophobicContact CD1-CG2 3.66Å; L395-V445 HydrophobicContact CG-CG2 4.16Å; L425-V445 HydrophobicContact CD2-CG1 4.35Å; L425-V445 HydrophobicContact CD2-CG2 4.1Å; I443-V445 HydrophobicContact CG2-CG2 4.34Å
446	V	97.1	Very high	95.7	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.006	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	132.1	-175.3	-173	0	0	0	0	111.4	F102 S104 F105 F107 P391 A392 R444 Q451	F102-V446 WeakPolarHBondContact CA-O 3.3Å; F102-V446 VanDerWaalsContact CD1-O 3.25Å; F102-V446 WeakPolarHBondContact CD1-O 3.17Å; F102-V446 PolarHBondContact O-N 3.11Å; S104-V446 WeakPolarHBondContact O-CG1 3.33Å; F105-V446 HydrophobicContact CD1-CG1 4.42Å; F105-V446 HydrophobicContact CD1-CG2 4.39Å; F105-V446 HydrophobicContact CE1-CG2 4.35Å; F107-V446 HydrophobicContact CD1-CG1 4.08Å; F107-V446 HydrophobicContact CE1-CG1 3.84Å; P391-V446 CarbonylContact O-C 3.04Å; P391-V446 WeakPolarHBondContact O-CA 3.29Å; A392-V446 HydrophobicContact CB-CG2 4.22Å; R444-V446 HydrophobicContact CG-CG2 3.95Å; V446-Q451 PolarHBondContact O-NE2 2.79Å
447	V	96.9	Very high	95.9	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.205	C	C	.	.			trans	-101.7	138.2	-177.8	-174.7	0	0	0	0	110.2	L365 K368 V372 P391	L365-V447 HydrophobicContact CD1-CG1 4.37Å; K368-V447 HydrophobicContact CB-CG1 3.87Å; V372-V447 HydrophobicContact CB-CG2 3.97Å; V372-V447 HydrophobicContact CG1-CG2 4.01Å; V372-V447 HydrophobicContact CG2-CG1 4.33Å; V372-V447 HydrophobicContact CG2-CG2 3.96Å; P391-V447 PolarHBondContact O-N 3.41Å
448	T	95.8	Very high	96.1	Very high	8 Å²	8	42.6 Å²	42.6	5%	0.049	21%	0.212	C	C	.	.			trans	-132.4	148.6	173.1	179	0	0	0	0	111.1	H90 N106 F107 K450 Q451	H90-T448 HydrophobicContact CB-CG2 4.24Å; N106-T448 WeakPolarHBondContact O-CB 3.42Å; N106-T448 PolarHBondContact O-OG1 2.65Å; F107-T448 CarbonylContact O-C 3.59Å; F107-T448 VanDerWaalsContact O-CA 3.25Å; F107-T448 WeakPolarHBondContact O-CA 3.26Å; F107-T448 PolarHBondContact O-OG1 3.45Å; T448-K450 HydrophobicContact CG2-CB 4.48Å; T448-K450 PolarHBondContact O-N 2.83Å; T448-Q451 HydrophobicContact CG2-CB 4.36Å; T448-Q451 HydrophobicContact CG2-CG 3.56Å; T448-Q451 PolarHBondContact O-N 3.34Å; T448-Q451 VanDerWaalsContact O-N 3.14Å; T448-Q451 PolarHBondContact O-OE1 2.87Å
449	V	96.4	Very high	96.4	Very high	19 Å²	19	39.6 Å²	39.6	12%	0.115	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-21.1	177.7	-59.8	0	0	0	0	113.8	F107 L108 I361 V364 L365 K368	F107-V449 PolarHBondContact O-N 3.37Å; L108-V449 HydrophobicContact CD2-CG1 4.39Å; L108-V449 WeakPolarHBondContact O-CG2 2.92Å; I361-V449 HydrophobicContact CD1-CG2 4.39Å; I361-V449 HydrophobicContact CG1-CG1 4.06Å; I361-V449 HydrophobicContact CG1-CG2 4.39Å; V364-V449 HydrophobicContact CG1-CB 4.37Å; V364-V449 HydrophobicContact CG1-CG1 4.37Å; L365-V449 HydrophobicContact CB-CG1 3.65Å; L365-V449 HydrophobicContact CD1-CG1 4.13Å; L365-V449 HydrophobicContact CG-CG1 4.44Å; K368-V449 VanDerWaalsContact CE-O 3.24Å; K368-V449 WeakPolarHBondContact CE-O 3.42Å
450	K	95.4	Very high	96.7	Very high	102 Å²	102	39.3 Å²	39.3	44%	0.443	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-12.9	-178.1	-63.6	-66.4	-176.1	-178	0	114.1	H90 T448	H90-K450 HydrophobicContact CB-CB 3.75Å; H90-K450 PolarHBondContact CD2-O 3.25Å; T448-K450 HydrophobicContact CG2-CB 4.48Å; T448-K450 PolarHBondContact O-N 2.83Å
451	Q	95.4	Very high	96.8	Very high	2 Å²	2	39.3 Å²	39.3	1%	0.009	20%	0.196	C	C	.	.			trans	-66.6	131.4	176.2	-78.5	155.1	-9.7	0	0	110.3	H90 N101 F102 K368 V446 T448 I456	H90-Q451 HydrophobicContact CB-CG 4.35Å; N101-Q451 PolarHBondContact O-NE2 3.23Å; F102-Q451 VanDerWaalsContact CE1-CD 3.42Å; F102-Q451 HydrophobicContact CE1-CG 4.31Å; F102-Q451 HydrophobicContact CZ-CG 4.08Å; K368-Q451 WeakPolarHBondContact CE-O 3.27Å; K368-Q451 PolarHBondContact NZ-O 3.33Å; V446-Q451 PolarHBondContact O-NE2 2.79Å; T448-Q451 HydrophobicContact CG2-CB 4.36Å; T448-Q451 HydrophobicContact CG2-CG 3.56Å; T448-Q451 PolarHBondContact O-N 3.34Å; T448-Q451 VanDerWaalsContact O-N 3.14Å; T448-Q451 PolarHBondContact O-OE1 2.87Å; Q451-I456 HydrophobicContact CB-CG1 4.49Å
452	K	95.8	Very high	96.9	Very high	130 Å²	130	39 Å²	39	57%	0.565	20%	0.195	S	C	*	.			trans	-86.2	164.3	175.9	-58.2	178.3	-175.5	-179.6	0	110.8	D454 D455 I456	K452-D454 VanDerWaalsContact C-N 3.28Å; K452-D454 PolarHBondContact O-N 3.07Å; K452-D455 WeakPolarHBondContact CB-OD2 3.26Å; K452-D455 PolarHBondContact N-OD2 3.16Å; K452-D455 VanDerWaalsContact O-CB 3.29Å; K452-D455 WeakPolarHBondContact O-CB 3.44Å; K452-D455 PolarHBondContact O-N 2.73Å; K452-I456 WeakPolarHBondContact O-CG1 3.44Å; K452-I456 PolarHBondContact O-N 3.15Å; K452-I456 VanDerWaalsContact O-N 3.09Å
453	D	96.1	Very high	96.9	Very high	83 Å²	83	39.1 Å²	39.1	44%	0.444	20%	0.195	S	C	.	.	H	α-helix	trans	-63.6	-36.7	178.4	-67.3	-20.4	0	0	0	111.9	H371 D455 I456 Q457	H371-D453 IonicContact CE1-OD1 3.67Å; H371-D453 IonicContact ND1-OD1 3.59Å; D453-D455 VanDerWaalsContact C-N 3.28Å; D453-D455 PolarHBondContact O-N 2.94Å; D453-I456 PolarHBondContact O-N 2.69Å; D453-Q457 WeakPolarHBondContact O-CG 3.46Å; D453-Q457 PolarHBondContact O-N 3.27Å
454	D	96.9	Very high	96.9	Very high	118 Å²	118	44.1 Å²	44.1	63%	0.631	21%	0.214	S	C	*	.	H	α-helix	trans	-61.3	-36.5	172.4	-64.6	-8.7	0	0	0	112.2	K452 K458	K452-D454 VanDerWaalsContact C-N 3.28Å; K452-D454 PolarHBondContact O-N 3.07Å; D454-K458 VanDerWaalsContact O-CB 3.26Å; D454-K458 WeakPolarHBondContact O-CB 3.43Å; D454-K458 PolarHBondContact O-N 3.13Å
455	D	96.8	Very high	96.9	Very high	19 Å²	19	47.1 Å²	47.1	10%	0.102	23%	0.229	C	C	.	.	H	α-helix	trans	-64.9	-44.5	177.2	-65	-37	0	0	0	110.3	H90 I100 K452 D453 A459	H90-D455 IonicContact CD2-OD2 2.67Å; I100-D455 HydrophobicContact CD1-CB 4.36Å; I100-D455 HydrophobicContact CG2-CB 3.75Å; K452-D455 WeakPolarHBondContact CB-OD2 3.26Å; K452-D455 PolarHBondContact N-OD2 3.16Å; K452-D455 VanDerWaalsContact O-CB 3.29Å; K452-D455 WeakPolarHBondContact O-CB 3.44Å; K452-D455 PolarHBondContact O-N 2.73Å; D453-D455 VanDerWaalsContact C-N 3.28Å; D453-D455 PolarHBondContact O-N 2.94Å; D455-A459 WeakPolarHBondContact O-CB 3.48Å; D455-A459 PolarHBondContact O-N 3.03Å
456	I	97.1	Very high	96.9	Very high	1 Å²	1	47 Å²	47	1%	0.005	23%	0.228	C	C	.	.	H	α-helix	trans	-63.5	-50.7	177.7	-63.7	167.3	0	0	0	110.3	F102 V372 Q451 K452 D453 K458 A459 V460	F102-I456 HydrophobicContact CZ-CG1 4.15Å; V372-I456 HydrophobicContact CG2-CD1 3.83Å; V372-I456 HydrophobicContact CG2-CG1 3.87Å; V372-I456 HydrophobicContact CG2-CG2 3.89Å; Q451-I456 HydrophobicContact CB-CG1 4.49Å; K452-I456 WeakPolarHBondContact O-CG1 3.44Å; K452-I456 PolarHBondContact O-N 3.15Å; K452-I456 VanDerWaalsContact O-N 3.09Å; D453-I456 PolarHBondContact O-N 2.69Å; I456-K458 VanDerWaalsContact C-N 3.32Å; I456-K458 PolarHBondContact O-N 3.3Å; I456-A459 PolarHBondContact O-N 3.33Å; I456-V460 HydrophobicContact CG2-CG2 4.19Å; I456-V460 WeakPolarHBondContact O-CB 3.47Å; I456-V460 WeakPolarHBondContact O-CG2 3.49Å; I456-V460 PolarHBondContact O-N 3.21Å
457	Q	97.1	Very high	96.9	Very high	122 Å²	122	47 Å²	47	57%	0.57	23%	0.228	S	C	*	.	H	α-helix	trans	-59.3	-44.3	180	-72.9	178.9	4.1	0	0	111.6	D453 S461	D453-Q457 WeakPolarHBondContact O-CG 3.46Å; D453-Q457 PolarHBondContact O-N 3.27Å; Q457-S461 VanDerWaalsContact O-CB 3.25Å; Q457-S461 WeakPolarHBondContact O-CB 3.3Å; Q457-S461 PolarHBondContact O-N 2.79Å
458	K	97.5	Very high	96.8	Very high	100 Å²	100	49.6 Å²	49.6	44%	0.435	25%	0.247	S	C	.	.	H	α-helix	trans	-64.1	-44.8	178.1	-177.8	170.6	170.7	-170.5	0	112	I100 D454 I456 C462	I100-K458 HydrophobicContact CD1-CB 4.28Å; I100-K458 HydrophobicContact CD1-CD 3.73Å; I100-K458 HydrophobicContact CD1-CG 4.23Å; D454-K458 VanDerWaalsContact O-CB 3.26Å; D454-K458 WeakPolarHBondContact O-CB 3.43Å; D454-K458 PolarHBondContact O-N 3.13Å; I456-K458 VanDerWaalsContact C-N 3.32Å; I456-K458 PolarHBondContact O-N 3.3Å; K458-C462 VanDerWaalsContact O-CB 3.24Å; K458-C462 WeakPolarHBondContact O-CB 3.24Å; K458-C462 PolarHBondContact O-N 3.5Å
459	A	97.5	Very high	96.8	Very high	3 Å²	3	53 Å²	53	3%	0.025	27%	0.267	C	S	.	.	H	α-helix	trans	-63.2	-48.1	178.3	0	0	0	0	0	111.8	F102 V423 D455 I456 S461 C462 I463	F102-A459 HydrophobicContact CD2-CB 3.76Å; F102-A459 HydrophobicContact CE2-CB 3.34Å; F102-A459 HydrophobicContact CZ-CB 3.87Å; V423-A459 HydrophobicContact CG1-CB 3.76Å; V423-A459 HydrophobicContact CG2-CB 4.48Å; D455-A459 WeakPolarHBondContact O-CB 3.48Å; D455-A459 PolarHBondContact O-N 3.03Å; I456-A459 PolarHBondContact O-N 3.33Å; A459-S461 PolarHBondContact O-N 3.25Å; A459-C462 WeakPolarHBondContact O-CB 3.36Å; A459-C462 PolarHBondContact O-N 3.08Å; A459-I463 VanDerWaalsContact O-CG1 3.29Å; A459-I463 WeakPolarHBondContact O-CG1 3.4Å; A459-I463 PolarHBondContact O-N 3.14Å
460	V	97.5	Very high	96.7	Very high	10 Å²	10	55 Å²	55	6%	0.061	28%	0.277	C	S	.	.	H	α-helix	trans	-62.1	-44.8	179	171.4	0	0	0	0	111.3	A375 L376 I456 C462 I463 R464	A375-V460 HydrophobicContact CB-CB 4.47Å; A375-V460 HydrophobicContact CB-CG1 4.16Å; A375-V460 HydrophobicContact CB-CG2 3.72Å; A375-V460 WeakPolarHBondContact O-CG1 3.28Å; L376-V460 HydrophobicContact CD2-CG2 3.96Å; L376-V460 HydrophobicContact CG-CG2 4.35Å; I456-V460 HydrophobicContact CG2-CG2 4.19Å; I456-V460 WeakPolarHBondContact O-CB 3.47Å; I456-V460 WeakPolarHBondContact O-CG2 3.49Å; I456-V460 PolarHBondContact O-N 3.21Å; V460-C462 VanDerWaalsContact C-N 3.31Å; V460-C462 PolarHBondContact O-N 2.88Å; V460-I463 PolarHBondContact O-N 2.98Å; V460-R464 WeakPolarHBondContact O-CB 3.19Å; V460-R464 PolarHBondContact O-N 3.01Å
461	S	97.7	Very high	96.5	Very high	68 Å²	68	52.2 Å²	52.2	48%	0.476	27%	0.267	S	S	.	.	H	α-helix	trans	-60.7	-42.5	176.2	-172.6	0	0	0	0	111.4	Q457 A459 R464 E465	Q457-S461 VanDerWaalsContact O-CB 3.25Å; Q457-S461 WeakPolarHBondContact O-CB 3.3Å; Q457-S461 PolarHBondContact O-N 2.79Å; A459-S461 PolarHBondContact O-N 3.25Å; S461-R464 PolarHBondContact O-N 3.11Å; S461-E465 WeakPolarHBondContact O-CB 3.48Å; S461-E465 PolarHBondContact O-N 3.31Å
462	C	98	Very high	95.4	Very high	6 Å²	6	63.7 Å²	63.7	4%	0.041	32%	0.316	C	S	.	.	H	α-helix	trans	-64.6	-43.4	178.6	-171.6	0	0	0	0	112.1	C418 R421 V423 K458 A459 V460 R464 E465 A466	C418-C462 VanDerWaalsContact SG-SG 3.67Å; R421-C462 VanDerWaalsContact CD-SG 3.55Å; V423-C462 HydrophobicContact CG2-CB 4.21Å; K458-C462 VanDerWaalsContact O-CB 3.24Å; K458-C462 WeakPolarHBondContact O-CB 3.24Å; K458-C462 PolarHBondContact O-N 3.5Å; A459-C462 WeakPolarHBondContact O-CB 3.36Å; A459-C462 PolarHBondContact O-N 3.08Å; V460-C462 VanDerWaalsContact C-N 3.31Å; V460-C462 PolarHBondContact O-N 2.88Å; C462-R464 VanDerWaalsContact C-N 3.34Å; C462-E465 PolarHBondContact O-N 3.23Å; C462-A466 WeakPolarHBondContact O-CB 3.25Å; C462-A466 PolarHBondContact O-N 2.92Å
463	I	98.1	Very high	95.4	Very high	1 Å²	1	60.4 Å²	60.4	1%	0.005	30%	0.304	C	S	.	.	H	α-helix	trans	-63	-43.1	176	-65.9	163.9	0	0	0	110.3	L376 I379 L382 L395 L425 A459 V460 A466 A467	L376-I463 HydrophobicContact CD2-CD1 3.94Å; I379-I463 HydrophobicContact CD1-CB 4.43Å; I379-I463 HydrophobicContact CD1-CG2 3.89Å; L382-I463 HydrophobicContact CD1-CG2 3.94Å; L395-I463 HydrophobicContact CD1-CD1 4.37Å; L395-I463 HydrophobicContact CD1-CG2 4.06Å; L425-I463 HydrophobicContact CD1-CD1 3.9Å; L425-I463 HydrophobicContact CD1-CG1 3.74Å; L425-I463 HydrophobicContact CD2-CD1 4.41Å; A459-I463 VanDerWaalsContact O-CG1 3.29Å; A459-I463 WeakPolarHBondContact O-CG1 3.4Å; A459-I463 PolarHBondContact O-N 3.14Å; V460-I463 PolarHBondContact O-N 2.98Å; I463-A466 PolarHBondContact O-N 2.81Å; I463-A467 WeakPolarHBondContact O-CB 3.41Å; I463-A467 PolarHBondContact O-N 2.92Å
464	R	97.6	Very high	95.3	Very high	105 Å²	105	59.2 Å²	59.2	40%	0.396	30%	0.297	S	S	.	.	H	α-helix	trans	-64	-43.1	178.6	-173.8	-178.6	-63.3	141.1	2.9	112.2	I379 V460 S461 C462 S468	I379-R464 HydrophobicContact CG1-CB 4.42Å; I379-R464 HydrophobicContact CG2-CB 4.46Å; V460-R464 WeakPolarHBondContact O-CB 3.19Å; V460-R464 PolarHBondContact O-N 3.01Å; S461-R464 PolarHBondContact O-N 3.11Å; C462-R464 VanDerWaalsContact C-N 3.34Å; R464-S468 WeakPolarHBondContact O-CB 3.4Å; R464-S468 PolarHBondContact O-N 3.48Å; R464-S468 PolarHBondContact O-OG 3.2Å
465	E	97.6	Very high	95.3	Very high	88 Å²	88	55.9 Å²	55.9	41%	0.411	28%	0.278	S	S	.	.	H	α-helix	trans	-61.2	-48.5	174.7	-168.6	-170.5	169.3	0	0	110.4	Y417 R421 S461 C462 A467 S468 V469	Y417-E465 HydrophobicContact CE1-CB 4.49Å; Y417-E465 HydrophobicContact CE1-CG 4.41Å; Y417-E465 WeakPolarHBondContact OH-CG 3.33Å; Y417-E465 PolarHBondContact OH-OE1 3.11Å; R421-E465 IonicContact NE-OE1 2.81Å; R421-E465 IonicContact NE-OE2 2.69Å; R421-E465 IonicContact NH2-OE1 2.83Å; S461-E465 WeakPolarHBondContact O-CB 3.48Å; S461-E465 PolarHBondContact O-N 3.31Å; C462-E465 PolarHBondContact O-N 3.23Å; E465-A467 PolarHBondContact O-N 3.17Å; E465-S468 PolarHBondContact O-N 3.36Å; E465-V469 WeakPolarHBondContact O-CG2 3.49Å; E465-V469 PolarHBondContact O-N 3.29Å
466	A	97.6	Very high	95.2	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-57.4	-49.3	177.8	0	0	0	0	0	112.1	I414 Y417 C462 I463 S468 V469 L470	I414-A466 HydrophobicContact CB-CB 4.42Å; I414-A466 HydrophobicContact CG1-CB 4.41Å; I414-A466 HydrophobicContact CG2-CB 3.89Å; Y417-A466 HydrophobicContact CD1-CB 3.4Å; Y417-A466 HydrophobicContact CE1-CB 3.83Å; Y417-A466 HydrophobicContact CG-CB 3.91Å; C462-A466 WeakPolarHBondContact O-CB 3.25Å; C462-A466 PolarHBondContact O-N 2.92Å; I463-A466 PolarHBondContact O-N 2.81Å; A466-S468 VanDerWaalsContact C-N 3.34Å; A466-S468 PolarHBondContact O-N 2.95Å; A466-V469 PolarHBondContact O-N 3.1Å; A466-L470 VanDerWaalsContact O-CB 3.31Å; A466-L470 WeakPolarHBondContact O-CB 3.38Å; A466-L470 WeakPolarHBondContact O-CG 3.34Å; A466-L470 PolarHBondContact O-N 2.89Å
467	A	96.5	Very high	95	Very high	1 Å²	1	61.6 Å²	61.6	1%	0.008	31%	0.306	C	S	.	.	H	α-helix	trans	-60.2	-44	177.8	0	0	0	0	0	111.6	I379 L382 I463 E465 V469 L470 L471	I379-A467 HydrophobicContact CG2-CB 3.77Å; L382-A467 HydrophobicContact CD1-CB 4.07Å; L382-A467 HydrophobicContact CG-CB 4.32Å; I463-A467 WeakPolarHBondContact O-CB 3.41Å; I463-A467 PolarHBondContact O-N 2.92Å; E465-A467 PolarHBondContact O-N 3.17Å; A467-V469 VanDerWaalsContact C-N 3.27Å; A467-V469 PolarHBondContact O-N 2.9Å; A467-L470 PolarHBondContact O-N 3.26Å; A467-L471 HydrophobicContact CB-CD1 4.06Å; A467-L471 VanDerWaalsContact O-CB 3.3Å; A467-L471 WeakPolarHBondContact O-CB 3.44Å; A467-L471 PolarHBondContact O-N 3.13Å
468	S	95	Very high	94.9	Very high	56 Å²	56	57.6 Å²	57.6	39%	0.392	29%	0.289	S	S	.	.	H	α-helix	trans	-65.5	-28.4	179.7	-56.9	0	0	0	0	113.4	R464 E465 A466 K472	R464-S468 WeakPolarHBondContact O-CB 3.4Å; R464-S468 PolarHBondContact O-N 3.48Å; R464-S468 PolarHBondContact O-OG 3.2Å; E465-S468 PolarHBondContact O-N 3.36Å; A466-S468 VanDerWaalsContact C-N 3.34Å; A466-S468 PolarHBondContact O-N 2.95Å; S468-K472 WeakPolarHBondContact O-CE 3.23Å; S468-K472 WeakPolarHBondContact O-CG 3.38Å
469	V	95.3	Very high	94.7	Very high	79 Å²	79	54.6 Å²	54.6	48%	0.479	28%	0.278	S	S	.	.	H	α-helix	trans	-84.1	-40.7	178.1	172.2	0	0	0	0	111.4	E465 A466 A467	E465-V469 WeakPolarHBondContact O-CG2 3.49Å; E465-V469 PolarHBondContact O-N 3.29Å; A466-V469 PolarHBondContact O-N 3.1Å; A467-V469 VanDerWaalsContact C-N 3.27Å; A467-V469 PolarHBondContact O-N 2.9Å
470	L	94.3	Very high	94.5	Very high	62 Å²	62	58.5 Å²	58.5	33%	0.325	30%	0.298	S	S	.	.	H	α-helix	trans	-99.2	-23.6	-166.3	-63.6	171	0	0	0	114.8	I414 A466 A467	I414-L470 HydrophobicContact CB-CD1 4.49Å; I414-L470 HydrophobicContact CG1-CD1 3.82Å; A466-L470 VanDerWaalsContact O-CB 3.31Å; A466-L470 WeakPolarHBondContact O-CB 3.38Å; A466-L470 WeakPolarHBondContact O-CG 3.34Å; A466-L470 PolarHBondContact O-N 2.89Å; A467-L470 PolarHBondContact O-N 3.26Å
471	L	90.7	Very high	94.3	Very high	43 Å²	43	62.6 Å²	62.6	23%	0.225	32%	0.317	C	S	.	.			trans	-104.5	21.9	-174.3	-55.6	-178.6	0	0	0	113.8	L382 L397 L410 I414 A467	L382-L471 HydrophobicContact CD2-CD1 3.79Å; L382-L471 HydrophobicContact CG-CD1 3.98Å; L397-L471 HydrophobicContact CD2-CD1 3.92Å; L397-L471 HydrophobicContact CD2-CD2 3.67Å; L397-L471 HydrophobicContact CD2-CG 4.48Å; L410-L471 HydrophobicContact CB-CD2 4.37Å; I414-L471 HydrophobicContact CD1-CD1 3.93Å; I414-L471 HydrophobicContact CD1-CD2 4.17Å; I414-L471 HydrophobicContact CD1-CG 4.09Å; A467-L471 HydrophobicContact CB-CD1 4.06Å; A467-L471 VanDerWaalsContact O-CB 3.3Å; A467-L471 WeakPolarHBondContact O-CB 3.44Å; A467-L471 PolarHBondContact O-N 3.13Å
472	K	72.6	Confident	93.9	Very high	242 Å²	242	62.1 Å²	62.1	100%	1.052	30%	0.303	S	S	*	.			trans	-65.1	0	-179.7	-74.6	-173	177.8	178.8	0	113.9	S468	S468-K472 WeakPolarHBondContact O-CE 3.23Å; S468-K472 WeakPolarHBondContact O-CG 3.38Å

Retrieved 472 of 472 residues in 354.2 ms (Link to these results)

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