G4V9I5_SCHMA Loading...

Inosine-5'-monophosphate dehydrogenase

Catalyzes the conversion of inosine 5'-phosphate (IMP) to xanthosine 5'-phosphate (XMP), the first committed and rate-limiting step in the de novo synthesis of guanine nucleotides, and therefore plays an important role in the regulation of cell growth.

AlphaFold DB , UniProt , Accession G4V9I5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 509 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	40.2	Very low	55.3	Low	248 Å²	248	123.4 Å²	123.4	100%	1.222	68%	0.682	S	S	*	*				0	48.7	0	-70.1	178.1	179.7	0	0	110.5
2	S	38	Very low	58.4	Low	82 Å²	82	115.1 Å²	115.1	57%	0.573	65%	0.646	S	S	*	*			trans	-146.9	37.6	-171.7	69.6	0	0	0	0	113.3
3	T	49	Very low	61.2	Low	103 Å²	103	108.5 Å²	108.5	63%	0.632	61%	0.61	S	S	*	*	S	Bend	trans	-126.8	3.8	-170.3	54.1	0	0	0	0	114.9
4	H	49.6	Very low	63.6	Low	155 Å²	155	101.5 Å²	101.5	72%	0.718	57%	0.572	S	S	*	*	S	Bend	trans	-122.9	-18.5	177.6	-67.6	-55.1	0	0	0	114.6	D6	H4-D6 VanDerWaalsContact C-N 3.31Å
5	S	48.1	Very low	65.8	Low	71 Å²	71	94.7 Å²	94.7	50%	0.497	53%	0.534	S	S	.	.	H	α-helix	trans	-65.5	-36.5	173.5	50	0	0	0	0	112	L7	S5-L7 VanDerWaalsContact C-N 3.33Å; S5-L7 PolarHBondContact O-N 2.81Å
6	D	56.8	Low	67.6	Low	93 Å²	93	91 Å²	91	50%	0.497	52%	0.516	S	S	.	.	H	α-helix	trans	-75.5	-21.1	-168.2	-61.8	0.8	0	0	0	113.4	H4 L10	H4-D6 VanDerWaalsContact C-N 3.31Å; D6-L10 WeakPolarHBondContact O-CD1 3.34Å; D6-L10 VanDerWaalsContact O-CG 3.31Å; D6-L10 WeakPolarHBondContact O-CG 3.24Å
7	L	54.2	Low	69.2	Low	133 Å²	133	90.9 Å²	90.9	70%	0.696	51%	0.51	S	S	*	.	H	α-helix	trans	-74.9	-35.1	-178.7	-82.7	156.8	0	0	0	112.7	S5	S5-L7 VanDerWaalsContact C-N 3.33Å; S5-L7 PolarHBondContact O-N 2.81Å
8	C	58.3	Low	70.6	Confident	111 Å²	111	85.9 Å²	85.9	75%	0.75	48%	0.482	S	S	*	.	H	α-helix	trans	-77.3	-28.8	179	-70.4	0	0	0	0	112.6	L10	C8-L10 VanDerWaalsContact C-N 3.27Å; C8-L10 PolarHBondContact O-N 3.03Å
9	D	57.9	Low	71.9	Confident	126 Å²	126	81.5 Å²	81.5	67%	0.674	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-6.5	-176.3	-75.2	-17.5	0	0	0	113.6
10	L	69.7	Low	72.8	Confident	107 Å²	107	85 Å²	85	56%	0.56	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.8	0.3	-169.9	-68	176.4	0	0	0	115.8	D6 C8 R484	D6-L10 WeakPolarHBondContact O-CD1 3.34Å; D6-L10 VanDerWaalsContact O-CG 3.31Å; D6-L10 WeakPolarHBondContact O-CG 3.24Å; C8-L10 VanDerWaalsContact C-N 3.27Å; C8-L10 PolarHBondContact O-N 3.03Å; L10-R484 PolarHBondContact O-NE 2.98Å; L10-R484 PolarHBondContact O-NH2 2.99Å
11	D	86.8	Confident	73.4	Confident	128 Å²	128	86.3 Å²	86.3	68%	0.684	47%	0.465	S	S	*	.			trans	-60.5	153.3	177.5	-167.3	22.5	0	0	0	112.2	R484	D11-R484 WeakPolarHBondContact O-CB 3.38Å; D11-R484 VanDerWaalsContact O-CG 3.23Å; D11-R484 WeakPolarHBondContact O-CG 3.31Å; D11-R484 PolarHBondContact O-NE 2.77Å
12	G	92.6	Very high	75.5	Confident	24 Å²	24	83.9 Å²	83.9	25%	0.247	45%	0.45	C	S	.	.	S	Bend	trans	72.9	-164.2	-167.6	0	0	0	0	0	113.5	R484	G12-R484 PolarHBondContact O-NH2 3.49Å
13	V	94.3	Very high	78	Confident	29 Å²	29	84.8 Å²	84.8	18%	0.176	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	143.8	-179.8	-63.1	0	0	0	0	112	E17 L18 F485	V13-E17 HydrophobicContact CB-CB 4.26Å; V13-L18 HydrophobicContact CG2-CB 4.12Å; V13-L18 HydrophobicContact CG2-CD1 4.01Å; V13-F485 HydrophobicContact CG2-CB 4.39Å; V13-F485 VanDerWaalsContact CG2-O 3.3Å; V13-F485 WeakPolarHBondContact CG2-O 3.28Å; V13-F485 PolarHBondContact N-O 2.9Å; V13-F485 WeakPolarHBondContact O-CD2 3.23Å; V13-F485 PolarHBondContact O-N 2.71Å
14	S	95.4	Very high	80	Confident	11 Å²	11	82.4 Å²	82.4	8%	0.077	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	162	170.3	63.8	0	0	0	0	111.3	S16 E17 L18	S14-S16 PolarHBondContact O-N 2.99Å; S14-E17 WeakPolarHBondContact CB-OE2 3.48Å; S14-E17 PolarHBondContact N-OE2 3.41Å; S14-E17 PolarHBondContact O-N 3.34Å; S14-E17 WeakPolarHBondContact OG-CB 3.48Å; S14-E17 VanDerWaalsContact OG-CD 3.23Å; S14-E17 VanDerWaalsContact OG-CG 3.26Å; S14-E17 WeakPolarHBondContact OG-CG 3.46Å; S14-E17 PolarHBondContact OG-N 3.06Å; S14-E17 VanDerWaalsContact OG-N 3.17Å; S14-E17 PolarHBondContact OG-OE2 3.39Å; S14-L18 VanDerWaalsContact O-CB 3.28Å; S14-L18 WeakPolarHBondContact O-CB 3.36Å; S14-L18 PolarHBondContact O-N 3.26Å
15	A	95.6	Very high	82.3	Confident	0 Å²	0	75.4 Å²	75.4	0%	0	41%	0.412	C	S	.	.	H	α-helix	trans	-58.6	-36.3	172.9	0	0	0	0	0	112.3	L18 F19 Y343 F485	A15-L18 PolarHBondContact O-N 2.96Å; A15-F19 HydrophobicContact CB-CD2 4.43Å; A15-F19 WeakPolarHBondContact O-CD2 3.32Å; A15-F19 PolarHBondContact O-N 3.23Å; A15-Y343 HydrophobicContact CB-CD2 4.03Å; A15-Y343 HydrophobicContact CB-CE2 3.43Å; A15-Y343 VanDerWaalsContact CB-CE2 3.43Å; A15-F485 HydrophobicContact CB-CD2 4.38Å; A15-F485 HydrophobicContact CB-CE2 3.77Å; A15-F485 HydrophobicContact CB-CZ 4.33Å
16	S	94.9	Very high	84.6	Confident	35 Å²	35	74.8 Å²	74.8	25%	0.245	41%	0.406	C	S	.	.	H	α-helix	trans	-64.2	-47.2	177.6	-167.9	0	0	0	0	111.5	S14 K20 Y343	S14-S16 PolarHBondContact O-N 2.99Å; S16-K20 VanDerWaalsContact O-CB 3.25Å; S16-K20 WeakPolarHBondContact O-CB 3.46Å; S16-K20 WeakPolarHBondContact O-CD 2.95Å; S16-K20 WeakPolarHBondContact O-CG 3.35Å; S16-K20 PolarHBondContact O-N 3.28Å; S16-K20 VanDerWaalsContact OG-CE 3.3Å; S16-K20 WeakPolarHBondContact OG-CE 3.29Å; S16-K20 PolarHBondContact OG-NZ 3.36Å; S16-Y343 WeakPolarHBondContact CA-OH 3.36Å; S16-Y343 PolarHBondContact N-OH 3.21Å
17	E	94.7	Very high	86.5	Confident	90 Å²	90	70.6 Å²	70.6	42%	0.421	38%	0.383	S	S	.	.	H	α-helix	trans	-64.1	-41.8	176.7	-70.4	160	147.3	0	0	111.7	V13 S14 R484	V13-E17 HydrophobicContact CB-CB 4.26Å; S14-E17 WeakPolarHBondContact CB-OE2 3.48Å; S14-E17 PolarHBondContact N-OE2 3.41Å; S14-E17 PolarHBondContact O-N 3.34Å; S14-E17 WeakPolarHBondContact OG-CB 3.48Å; S14-E17 VanDerWaalsContact OG-CD 3.23Å; S14-E17 VanDerWaalsContact OG-CG 3.26Å; S14-E17 WeakPolarHBondContact OG-CG 3.46Å; S14-E17 PolarHBondContact OG-N 3.06Å; S14-E17 VanDerWaalsContact OG-N 3.17Å; S14-E17 PolarHBondContact OG-OE2 3.39Å; E17-R484 IonicContact OE2-NH1 3.89Å; E17-R484 IonicContact OE2-NH2 3.51Å
18	L	94.3	Very high	88.5	Confident	0 Å²	0	66 Å²	66	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-59.6	-49.4	178.7	-176	68	0	0	0	111.9	V13 S14 A15 R21 L25 V30 F374 F485 L487	V13-L18 HydrophobicContact CG2-CB 4.12Å; V13-L18 HydrophobicContact CG2-CD1 4.01Å; S14-L18 VanDerWaalsContact O-CB 3.28Å; S14-L18 WeakPolarHBondContact O-CB 3.36Å; S14-L18 PolarHBondContact O-N 3.26Å; A15-L18 PolarHBondContact O-N 2.96Å; L18-R21 WeakPolarHBondContact O-CB 3.05Å; L18-L25 HydrophobicContact CD1-CD1 3.73Å; L18-L25 HydrophobicContact CD2-CD1 4.37Å; L18-L25 HydrophobicContact CG-CD1 3.71Å; L18-V30 HydrophobicContact CD2-CB 4.47Å; L18-V30 HydrophobicContact CD2-CG1 3.7Å; L18-V30 HydrophobicContact CD2-CG2 3.88Å; L18-F374 HydrophobicContact CD2-CE1 4.35Å; L18-F485 HydrophobicContact CD2-CB 4.14Å; L18-F485 HydrophobicContact CD2-CG 4.35Å; L18-L487 HydrophobicContact CD1-CD1 4.37Å; L18-L487 HydrophobicContact CD1-CD2 3.49Å; L18-L487 VanDerWaalsContact CD1-CD2 3.49Å; L18-L487 HydrophobicContact CD1-CG 3.65Å
19	F	94.8	Very high	90.3	Very high	3 Å²	3	62.7 Å²	62.7	1%	0.013	34%	0.337	C	S	.	.	H	α-helix	trans	-93.8	-2.2	-174.3	-66.5	-67.5	0	0	0	114.9	A15 R21 L25 A339 K340 Y343 F374	A15-F19 HydrophobicContact CB-CD2 4.43Å; A15-F19 WeakPolarHBondContact O-CD2 3.32Å; A15-F19 PolarHBondContact O-N 3.23Å; F19-R21 VanDerWaalsContact C-N 3.28Å; F19-L25 HydrophobicContact CD1-CD1 4.27Å; F19-L25 HydrophobicContact CE1-CB 4.12Å; F19-L25 HydrophobicContact CE1-CD1 4.17Å; F19-A339 HydrophobicContact CE1-CB 4.24Å; F19-A339 HydrophobicContact CZ-CB 4.13Å; F19-K340 HydrophobicContact CD1-CB 3.86Å; F19-K340 HydrophobicContact CD1-CG 3.87Å; F19-K340 HydrophobicContact CE1-CB 3.95Å; F19-K340 HydrophobicContact CE1-CG 4.48Å; F19-Y343 HydrophobicContact CB-CD1 3.42Å; F19-Y343 VanDerWaalsContact CB-CD1 3.42Å; F19-Y343 HydrophobicContact CB-CE1 3.64Å; F19-Y343 HydrophobicContact CB-CG 4.3Å; F19-Y343 HydrophobicContact CD1-CD1 4.5Å; F19-Y343 AromaticContact CD2-CD1 3.24Å; F19-Y343 HydrophobicContact CD2-CD1 3.24Å; F19-Y343 AromaticContact CD2-CD2 3.76Å; F19-Y343 HydrophobicContact CD2-CD2 3.76Å; F19-Y343 AromaticContact CD2-CE1 3.77Å; F19-Y343 HydrophobicContact CD2-CE1 3.77Å; F19-Y343 HydrophobicContact CD2-CE2 4.23Å; F19-Y343 AromaticContact CD2-CG 3.22Å; F19-Y343 HydrophobicContact CD2-CG 3.22Å; F19-Y343 HydrophobicContact CE2-CD1 4.1Å; F19-Y343 AromaticContact CE2-CD2 3.97Å; F19-Y343 HydrophobicContact CE2-CD2 3.97Å; F19-Y343 AromaticContact CE2-CG 3.61Å; F19-Y343 HydrophobicContact CE2-CG 3.61Å; F19-Y343 AromaticContact CG-CD1 3.49Å; F19-Y343 HydrophobicContact CG-CD1 3.49Å; F19-Y343 VanDerWaalsContact CG-CD1 3.49Å; F19-Y343 HydrophobicContact CG-CE1 4.08Å; F19-Y343 AromaticContact CG-CG 3.87Å; F19-Y343 HydrophobicContact CG-CG 3.87Å; F19-Y343 HydrophobicContact CZ-CG 4.5Å; F19-F374 AromaticContact CE2-CD1 3.54Å; F19-F374 HydrophobicContact CE2-CD1 3.54Å; F19-F374 AromaticContact CE2-CE1 3.62Å; F19-F374 HydrophobicContact CE2-CE1 3.62Å; F19-F374 HydrophobicContact CE2-CG 4.09Å; F19-F374 HydrophobicContact CE2-CZ 4.25Å; F19-F374 AromaticContact CZ-CD1 3.89Å; F19-F374 HydrophobicContact CZ-CD1 3.89Å; F19-F374 HydrophobicContact CZ-CD2 4.22Å; F19-F374 AromaticContact CZ-CE1 3.78Å; F19-F374 HydrophobicContact CZ-CE1 3.78Å; F19-F374 HydrophobicContact CZ-CE2 4.13Å; F19-F374 HydrophobicContact CZ-CG 4.12Å; F19-F374 AromaticContact CZ-CZ 3.92Å; F19-F374 HydrophobicContact CZ-CZ 3.92Å
20	K	91.8	Very high	92.2	Very high	151 Å²	151	56.7 Å²	56.7	66%	0.657	31%	0.305	S	S	*	.	H	α-helix	trans	-71.3	-25	163.3	-85.3	170.3	-178.2	173.1	0	112.1	S16	S16-K20 VanDerWaalsContact O-CB 3.25Å; S16-K20 WeakPolarHBondContact O-CB 3.46Å; S16-K20 WeakPolarHBondContact O-CD 2.95Å; S16-K20 WeakPolarHBondContact O-CG 3.35Å; S16-K20 PolarHBondContact O-N 3.28Å; S16-K20 VanDerWaalsContact OG-CE 3.3Å; S16-K20 WeakPolarHBondContact OG-CE 3.29Å; S16-K20 PolarHBondContact OG-NZ 3.36Å
21	R	84.8	Confident	93.5	Very high	113 Å²	113	54.7 Å²	54.7	43%	0.426	29%	0.294	S	S	.	.	S	Bend	trans	-61.1	151	175.4	-59.3	177.3	-175.3	-156.5	-0.3	110.9	L18 F19 L23 K340	L18-R21 WeakPolarHBondContact O-CB 3.05Å; F19-R21 VanDerWaalsContact C-N 3.28Å; R21-L23 PolarHBondContact O-N 3.09Å; R21-K340 PolarHBondContact O-NZ 3.44Å
22	E	84.8	Confident	94	Very high	196 Å²	196	49.9 Å²	49.9	92%	0.916	27%	0.268	S	S	*	.	S	Bend	trans	-71.4	-13.3	-178.4	-62.8	-170.4	158.8	0	0	113.3
23	L	90	Very high	94.2	Very high	101 Å²	101	50.6 Å²	50.6	53%	0.529	27%	0.266	S	S	.	.	S	Bend	trans	-65.5	143	-178.9	-61.2	174.2	0	0	0	113.6	R21 L25 K340	R21-L23 PolarHBondContact O-N 3.09Å; L23-L25 HydrophobicContact CB-CD2 4.08Å; L23-L25 HydrophobicContact CB-CG 4.4Å; L23-K340 WeakPolarHBondContact O-CD 3.36Å; L23-K340 PolarHBondContact O-NZ 3.44Å
24	G	91.5	Very high	94.3	Very high	53 Å²	53	54.4 Å²	54.4	55%	0.546	29%	0.291	S	S	.	.			trans	-83.3	112.5	163.6	0	0	0	0	0	109.7	S337	G24-S337 VanDerWaalsContact C-OG 3.28Å; G24-S337 WeakPolarHBondContact CA-OG 3.49Å
25	L	96.3	Very high	94.2	Very high	9 Å²	9	55.7 Å²	55.7	5%	0.047	31%	0.306	C	S	.	.			trans	-106.6	136.9	179.9	-56.6	174.1	0	0	0	111.1	L18 F19 L23 D29 V30 S337 A339 K340 L487	L18-L25 HydrophobicContact CD1-CD1 3.73Å; L18-L25 HydrophobicContact CD2-CD1 4.37Å; L18-L25 HydrophobicContact CG-CD1 3.71Å; F19-L25 HydrophobicContact CD1-CD1 4.27Å; F19-L25 HydrophobicContact CE1-CB 4.12Å; F19-L25 HydrophobicContact CE1-CD1 4.17Å; L23-L25 HydrophobicContact CB-CD2 4.08Å; L23-L25 HydrophobicContact CB-CG 4.4Å; L25-D29 HydrophobicContact CD2-CB 4.1Å; L25-V30 HydrophobicContact CB-CG2 4.39Å; L25-V30 HydrophobicContact CD1-CG2 4.29Å; L25-S337 PolarHBondContact N-OG 3.44Å; L25-S337 WeakPolarHBondContact O-CB 2.89Å; L25-S337 PolarHBondContact O-OG 2.76Å; L25-A339 WeakPolarHBondContact O-CB 3.29Å; L25-A339 PolarHBondContact O-N 2.91Å; L25-K340 PolarHBondContact O-N 3.38Å; L25-L487 HydrophobicContact CD1-CD2 3.69Å; L25-L487 HydrophobicContact CD2-CD2 3.53Å; L25-L487 HydrophobicContact CG-CD2 4.25Å
26	T	96.7	Very high	94.1	Very high	58 Å²	58	64.3 Å²	64.3	36%	0.356	34%	0.344	S	S	.	.			trans	-102	-179.2	169.6	74.3	0	0	0	0	110.4	S28 D29	T26-S28 VanDerWaalsContact C-N 3.3Å; T26-S28 PolarHBondContact O-N 3.01Å; T26-S28 PolarHBondContact OG1-N 3.43Å; T26-D29 WeakPolarHBondContact CA-OD2 3.25Å; T26-D29 WeakPolarHBondContact CB-OD2 3.44Å; T26-D29 PolarHBondContact N-OD2 3.27Å; T26-D29 PolarHBondContact OG1-OD2 2.93Å
27	F	97	Very high	94.1	Very high	5 Å²	5	65.6 Å²	65.6	2%	0.022	35%	0.35	C	S	.	.	S	Bend	trans	-66.3	-31.7	178.6	-57.4	-56.3	0	0	0	112.8	D29 Q338 A339 I362 H367 K370 A371 F374	F27-D29 VanDerWaalsContact C-N 3.32Å; F27-D29 PolarHBondContact O-N 3.16Å; F27-Q338 HydrophobicContact CE2-CB 4.06Å; F27-Q338 HydrophobicContact CE2-CG 3.56Å; F27-Q338 HydrophobicContact CZ-CB 4.23Å; F27-Q338 HydrophobicContact CZ-CG 3.57Å; F27-A339 HydrophobicContact CD1-CB 3.83Å; F27-A339 HydrophobicContact CE1-CB 4Å; F27-I362 HydrophobicContact CD2-CD1 4.12Å; F27-I362 HydrophobicContact CE2-CD1 3.47Å; F27-I362 VanDerWaalsContact CE2-CD1 3.47Å; F27-I362 HydrophobicContact CZ-CD1 3.88Å; F27-H367 HydrophobicContact CB-CB 4.37Å; F27-H367 HydrophobicContact CD2-CB 4.2Å; F27-H367 HydrophobicContact CG-CB 4.39Å; F27-K370 HydrophobicContact CB-CD 4.15Å; F27-K370 HydrophobicContact CD1-CB 4.04Å; F27-K370 WeakPolarHBondContact O-CD 3.43Å; F27-K370 WeakPolarHBondContact O-CE 3.44Å; F27-K370 PolarHBondContact O-NZ 3.42Å; F27-A371 HydrophobicContact CE1-CB 3.8Å; F27-A371 HydrophobicContact CZ-CB 3.86Å; F27-F374 HydrophobicContact CD1-CD2 4.24Å; F27-F374 HydrophobicContact CD1-CE2 4.12Å; F27-F374 HydrophobicContact CE1-CD2 4.18Å
28	S	96.6	Very high	94.1	Very high	37 Å²	37	63.6 Å²	63.6	26%	0.259	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-28.4	-177.8	-62.2	0	0	0	0	112.9	T26 V30 R488	T26-S28 VanDerWaalsContact C-N 3.3Å; T26-S28 PolarHBondContact O-N 3.01Å; T26-S28 PolarHBondContact OG1-N 3.43Å; S28-V30 PolarHBondContact O-N 2.8Å; S28-R488 WeakPolarHBondContact O-CD 3.4Å
29	D	96.8	Very high	94.3	Very high	40 Å²	40	64.6 Å²	64.6	21%	0.214	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-8.7	-176.6	-54.1	-48.2	0	0	0	113.9	L25 T26 F27 L487 R488 Q493	L25-D29 HydrophobicContact CD2-CB 4.1Å; T26-D29 WeakPolarHBondContact CA-OD2 3.25Å; T26-D29 WeakPolarHBondContact CB-OD2 3.44Å; T26-D29 PolarHBondContact N-OD2 3.27Å; T26-D29 PolarHBondContact OG1-OD2 2.93Å; F27-D29 VanDerWaalsContact C-N 3.32Å; F27-D29 PolarHBondContact O-N 3.16Å; D29-L487 CarbonylContact O-C 3.56Å; D29-L487 WeakPolarHBondContact O-CA 3.31Å; D29-R488 PolarHBondContact O-N 3.12Å; D29-Q493 PolarHBondContact OD1-NE2 2.99Å
30	V	96.7	Very high	94.3	Very high	0 Å²	0	66 Å²	66	0%	0	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	138.7	-173.9	-172.4	0	0	0	0	110	L18 L25 S28 K370 F374 F485 E486 L487	L18-V30 HydrophobicContact CD2-CB 4.47Å; L18-V30 HydrophobicContact CD2-CG1 3.7Å; L18-V30 HydrophobicContact CD2-CG2 3.88Å; L25-V30 HydrophobicContact CB-CG2 4.39Å; L25-V30 HydrophobicContact CD1-CG2 4.29Å; S28-V30 PolarHBondContact O-N 2.8Å; V30-K370 WeakPolarHBondContact O-CE 3.46Å; V30-K370 PolarHBondContact O-NZ 2.85Å; V30-F374 HydrophobicContact CB-CZ 4.09Å; V30-F374 HydrophobicContact CG1-CE1 4.47Å; V30-F374 HydrophobicContact CG1-CZ 3.9Å; V30-F374 HydrophobicContact CG2-CZ 4.28Å; V30-F485 HydrophobicContact CG1-CB 3.91Å; V30-F485 HydrophobicContact CG1-CD1 3.82Å; V30-F485 HydrophobicContact CG1-CG 4.26Å; V30-E486 WeakPolarHBondContact CA-O 3.33Å; V30-L487 HydrophobicContact CG2-CD2 4.36Å
31	I	97.4	Very high	94.3	Very high	66 Å²	66	63.3 Å²	63.3	34%	0.338	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	152.3	163.5	-161	64	0	0	0	109.7	L33 F485 E486 R488	I31-L33 HydrophobicContact CG2-CD2 4.49Å; I31-F485 VanDerWaalsContact O-CA 3.28Å; I31-F485 WeakPolarHBondContact O-CA 3.3Å; I31-E486 HydrophobicContact CG2-CB 3.78Å; I31-E486 PolarHBondContact N-O 2.98Å; I31-E486 PolarHBondContact O-N 3.38Å; I31-R488 HydrophobicContact CB-CG 4.07Å; I31-R488 HydrophobicContact CG2-CG 4.23Å
32	I	97.7	Very high	94.7	Very high	26 Å²	26	64.4 Å²	64.4	13%	0.133	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	130.4	174.7	-55.5	164.9	0	0	0	106.7	V369 K370 S373 I466 L483 F485	I32-V369 HydrophobicContact CD1-CG1 3.87Å; I32-K370 HydrophobicContact CD1-CG 3.95Å; I32-K370 HydrophobicContact CG1-CG 4.36Å; I32-S373 VanDerWaalsContact CD1-OG 3.28Å; I32-S373 WeakPolarHBondContact CD1-OG 3.43Å; I32-I466 HydrophobicContact CD1-CD1 3.97Å; I32-I466 HydrophobicContact CG2-CD1 3.92Å; I32-I466 HydrophobicContact CG2-CG1 3.82Å; I32-L483 HydrophobicContact CG2-CD1 3.61Å; I32-L483 HydrophobicContact CG2-CG 4.18Å; I32-F485 HydrophobicContact CB-CD1 4.4Å; I32-F485 HydrophobicContact CD1-CE1 4.49Å; I32-F485 HydrophobicContact CG1-CD1 3.82Å; I32-F485 HydrophobicContact CG1-CE1 3.72Å; I32-F485 HydrophobicContact CG2-CE1 4.46Å
33	L	96.7	Very high	95.3	Very high	40 Å²	40	60.1 Å²	60.1	21%	0.209	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-76.6	142.6	176.9	-58.7	-173.1	0	0	0	110.1	I31 R484 E486	I31-L33 HydrophobicContact CG2-CD2 4.49Å; L33-R484 HydrophobicContact CB-CB 4.17Å; L33-R484 HydrophobicContact CD1-CB 3.88Å; L33-R484 HydrophobicContact CG-CB 4.27Å; L33-R484 PolarHBondContact N-O 2.88Å; L33-E486 HydrophobicContact CD2-CB 4.12Å
34	P	95.9	Very high	95.7	Very high	108 Å²	108	55.3 Å²	55.3	70%	0.701	33%	0.331	S	S	*	.	P	Polyproline II helix	trans	-66.4	151.8	179.6	29.2	-35.1	0	0	0	111.3
35	G	93.7	Very high	96	Very high	38 Å²	38	56.6 Å²	56.6	39%	0.392	33%	0.325	S	S	.	.			trans	-114.3	-169	176	0	0	0	0	0	112.7	Q465 I466	G35-Q465 PolarHBondContact N-O 2.99Å; G35-I466 WeakPolarHBondContact CA-O 3.45Å
36	F	93.2	Very high	96.1	Very high	181 Å²	181	56.3 Å²	56.3	79%	0.794	32%	0.323	S	S	*	.			trans	-78.8	129.1	175	178.1	-96	0	0	0	111.4	G467	F36-G467 VanDerWaalsContact O-CA 3.27Å; F36-G467 WeakPolarHBondContact O-CA 3.33Å
37	V	95.6	Very high	96.2	Very high	63 Å²	63	55 Å²	55	38%	0.382	32%	0.316	S	S	.	.			trans	-111.7	113.9	-178.5	-171	0	0	0	0	110.6	Q464	V37-Q464 HydrophobicContact CG1-CG 3.68Å; V37-Q464 WeakPolarHBondContact CG2-O 3.28Å
38	G	94.7	Very high	96.2	Very high	48 Å²	48	55.3 Å²	55.3	50%	0.495	32%	0.318	S	S	.	.			trans	-123.5	26.9	178	0	0	0	0	0	113.9	R469	G38-R469 PolarHBondContact O-NH2 3.44Å
39	F	97.1	Very high	96.3	Very high	20 Å²	20	56.8 Å²	56.8	9%	0.088	32%	0.32	C	S	.	.	S	Bend	trans	-156.2	160.4	-175.5	55.5	-89	0	0	0	113	E43 V44 Q464 R469	F39-E43 HydrophobicContact CB-CB 4.4Å; F39-E43 WeakPolarHBondContact CB-OE1 3.19Å; F39-V44 HydrophobicContact CD2-CG2 4.1Å; F39-V44 HydrophobicContact CE2-CG2 3.55Å; F39-Q464 HydrophobicContact CD2-CG 4.33Å; F39-Q464 HydrophobicContact CE2-CB 4.12Å; F39-Q464 HydrophobicContact CE2-CG 3.95Å; F39-Q464 PolarHBondContact O-NE2 2.76Å; F39-R469 VanDerWaalsContact CB-CZ 3.46Å; F39-R469 VanDerWaalsContact CB-NH1 3.33Å; F39-R469 HydrophobicContact CD1-CG 3.56Å; F39-R469 HydrophobicContact CD2-CG 4.08Å; F39-R469 HydrophobicContact CE1-CG 3.52Å; F39-R469 HydrophobicContact CE2-CG 4.06Å; F39-R469 HydrophobicContact CG-CG 3.86Å; F39-R469 HydrophobicContact CZ-CG 3.78Å
40	G	95.1	Very high	96.3	Very high	32 Å²	32	54.9 Å²	54.9	33%	0.33	31%	0.31	S	S	.	.			trans	-83.4	155.5	174.9	0	0	0	0	0	113.1	N42 E43	G40-N42 PolarHBondContact O-N 3.23Å; G40-E43 PolarHBondContact N-OE1 2.86Å; G40-E43 WeakPolarHBondContact O-CB 3.22Å; G40-E43 PolarHBondContact O-N 3.01Å
41	K	92.7	Very high	96.4	Very high	96 Å²	96	54.9 Å²	54.9	42%	0.417	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-54	-30.2	178.7	76.5	-176.8	-175.6	179	0	114.3	E43 V44	K41-E43 PolarHBondContact O-N 3.37Å; K41-V44 WeakPolarHBondContact O-CB 3.25Å; K41-V44 PolarHBondContact O-N 3.48Å
42	N	93.6	Very high	96.4	Very high	135 Å²	135	55.7 Å²	55.7	72%	0.722	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-72.4	-21.1	-177	-66.5	-16.4	0	0	0	112.1	G40 V44	G40-N42 PolarHBondContact O-N 3.23Å; N42-V44 VanDerWaalsContact C-N 3.27Å
43	E	96.8	Very high	96.3	Very high	106 Å²	106	61.5 Å²	61.5	50%	0.495	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-80.1	-7.5	175.5	-61.5	172.9	-105	0	0	112.6	F39 G40 K41 D45 R469	F39-E43 HydrophobicContact CB-CB 4.4Å; F39-E43 WeakPolarHBondContact CB-OE1 3.19Å; G40-E43 PolarHBondContact N-OE1 2.86Å; G40-E43 WeakPolarHBondContact O-CB 3.22Å; G40-E43 PolarHBondContact O-N 3.01Å; K41-E43 PolarHBondContact O-N 3.37Å; E43-D45 PolarHBondContact O-N 2.87Å; E43-R469 IonicContact OE2-CZ 2.62Å; E43-R469 IonicContact OE2-NH1 3.22Å; E43-R469 PolarHBondContact OE2-NH1 2.76Å
44	V	98	Very high	96.4	Very high	1 Å²	1	60.9 Å²	60.9	1%	0.006	33%	0.327	C	S	.	.			trans	-78.2	117.3	177.6	-177.5	0	0	0	0	110.4	F39 K41 N42 I46 K460 L463 Q464 R469	F39-V44 HydrophobicContact CD2-CG2 4.1Å; F39-V44 HydrophobicContact CE2-CG2 3.55Å; K41-V44 WeakPolarHBondContact O-CB 3.25Å; K41-V44 PolarHBondContact O-N 3.48Å; N42-V44 VanDerWaalsContact C-N 3.27Å; V44-I46 HydrophobicContact CG1-CG2 4.02Å; V44-K460 HydrophobicContact CB-CB 4.3Å; V44-K460 HydrophobicContact CB-CD 4.44Å; V44-K460 HydrophobicContact CB-CG 4.15Å; V44-K460 HydrophobicContact CG1-CB 4.39Å; V44-K460 HydrophobicContact CG1-CG 4.12Å; V44-K460 VanDerWaalsContact O-CE 3.26Å; V44-K460 WeakPolarHBondContact O-CE 3.01Å; V44-K460 PolarHBondContact O-NZ 3.07Å; V44-L463 HydrophobicContact CG1-CB 3.78Å; V44-L463 HydrophobicContact CG1-CD2 3.79Å; V44-L463 HydrophobicContact CG1-CG 4.46Å; V44-Q464 HydrophobicContact CG2-CB 4.31Å; V44-R469 CarbonylContact C-O 3.53Å; V44-R469 WeakPolarHBondContact CA-O 3.23Å
45	D	97.8	Very high	96.4	Very high	79 Å²	79	58.8 Å²	58.8	42%	0.422	32%	0.315	S	S	.	.	B	Isolated β-bridge	trans	-97.1	118.5	172.4	-175.6	14.7	0	0	0	111.2	E43 T47 R469 S470 I471	E43-D45 PolarHBondContact O-N 2.87Å; D45-T47 WeakPolarHBondContact OD1-CB 3.35Å; D45-T47 PolarHBondContact OD1-N 3.35Å; D45-T47 PolarHBondContact OD1-OG1 2.77Å; D45-R469 PolarHBondContact N-O 2.99Å; D45-S470 WeakPolarHBondContact O-CA 3.48Å; D45-I471 PolarHBondContact O-N 3.25Å
46	I	98.2	Very high	96.7	Very high	3 Å²	3	57 Å²	57	2%	0.015	30%	0.296	C	S	.	.			trans	-103.6	16.5	178.5	64.4	174.1	0	0	0	112.2	V44 S48 K57 V58 P59 V456 V459 K460 L463 I471	V44-I46 HydrophobicContact CG1-CG2 4.02Å; I46-S48 PolarHBondContact O-N 3.08Å; I46-K57 WeakPolarHBondContact CG1-O 3.3Å; I46-V58 HydrophobicContact CD1-CG2 4.44Å; I46-P59 WeakPolarHBondContact O-CD 3.48Å; I46-V456 HydrophobicContact CD1-CB 4.29Å; I46-V456 HydrophobicContact CD1-CG1 3.75Å; I46-V456 HydrophobicContact CD1-CG2 4.01Å; I46-V459 HydrophobicContact CG2-CG1 4.1Å; I46-K460 HydrophobicContact CG2-CG 4.03Å; I46-L463 HydrophobicContact CG2-CD2 4.13Å; I46-I471 HydrophobicContact CB-CD1 4.12Å; I46-I471 VanDerWaalsContact O-CD1 3.22Å; I46-I471 WeakPolarHBondContact O-CD1 3.42Å
47	T	98.3	Very high	96.9	Very high	32 Å²	32	53.4 Å²	53.4	20%	0.196	28%	0.28	C	S	.	.			trans	-60.9	133.5	172.7	-56.6	0	0	0	0	109.9	D45 L56 K57	D45-T47 WeakPolarHBondContact OD1-CB 3.35Å; D45-T47 PolarHBondContact OD1-N 3.35Å; D45-T47 PolarHBondContact OD1-OG1 2.77Å; T47-L56 CarbonylContact C-O 3.55Å; T47-L56 VanDerWaalsContact CA-O 3.22Å; T47-L56 WeakPolarHBondContact CA-O 3.32Å; T47-L56 WeakPolarHBondContact CG2-O 3.45Å; T47-K57 HydrophobicContact CG2-CD 4.13Å; T47-K57 WeakPolarHBondContact OG1-CD 3.33Å
48	S	97.9	Very high	97	Very high	11 Å²	11	50.5 Å²	50.5	8%	0.077	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	158.9	-177.8	56	0	0	0	0	112.3	I46 S55 L56 P59 S377	I46-S48 PolarHBondContact O-N 3.08Å; S48-S55 CarbonylContact O-C 3.57Å; S48-S55 VanDerWaalsContact O-CA 3.22Å; S48-S55 WeakPolarHBondContact O-CA 3.46Å; S48-L56 PolarHBondContact N-O 2.68Å; S48-L56 PolarHBondContact O-N 2.88Å; S48-P59 VanDerWaalsContact OG-CB 3.24Å; S48-P59 WeakPolarHBondContact OG-CB 3.45Å; S48-S377 WeakPolarHBondContact CB-O 3.2Å; S48-S377 PolarHBondContact OG-O 2.81Å
49	K	98	Very high	97.2	Very high	67 Å²	67	48.2 Å²	48.2	29%	0.291	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	135.9	176.2	-68.2	-173.3	179.4	178	0	111.3	F54 D353 P355 S377	K49-F54 WeakPolarHBondContact CA-O 3.47Å; K49-D353 VanDerWaalsContact NZ-CG 3.26Å; K49-D353 IonicContact NZ-OD1 3.97Å; K49-D353 PolarHBondContact NZ-OD1 3.26Å; K49-D353 IonicContact NZ-OD2 2.69Å; K49-D353 PolarHBondContact NZ-OD2 3.45Å; K49-P355 HydrophobicContact CB-CB 4.07Å; K49-P355 HydrophobicContact CB-CG 3.49Å; K49-P355 VanDerWaalsContact CB-CG 3.49Å; K49-P355 HydrophobicContact CD-CG 4.09Å; K49-P355 HydrophobicContact CG-CG 4.46Å; K49-S377 WeakPolarHBondContact O-CB 3.35Å
50	I	98.3	Very high	97.2	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.235	C	C	.	.	S	Bend	trans	-95.4	-30.8	167.6	-172.7	66.1	0	0	0	111.3	F54 L56 A61 I83 F85 I265 I295 I357 S378	I50-F54 HydrophobicContact CG2-CB 3.67Å; I50-F54 WeakPolarHBondContact CG2-O 3.37Å; I50-F54 PolarHBondContact N-O 3Å; I50-L56 HydrophobicContact CB-CD1 3.83Å; I50-L56 HydrophobicContact CB-CG 3.96Å; I50-L56 HydrophobicContact CD1-CD1 4.11Å; I50-L56 HydrophobicContact CG1-CD1 4.09Å; I50-L56 HydrophobicContact CG2-CD1 4.33Å; I50-L56 HydrophobicContact CG2-CD2 4.22Å; I50-L56 HydrophobicContact CG2-CG 4.05Å; I50-A61 HydrophobicContact CD1-CB 4.42Å; I50-I83 HydrophobicContact CD1-CG2 4.46Å; I50-I83 HydrophobicContact CG1-CG2 4.33Å; I50-F85 HydrophobicContact CG1-CZ 4.44Å; I50-I265 HydrophobicContact CG2-CD1 3.71Å; I50-I295 HydrophobicContact CG1-CD1 4.35Å; I50-I357 HydrophobicContact CD1-CD1 3.41Å; I50-I357 VanDerWaalsContact CD1-CD1 3.41Å; I50-I357 HydrophobicContact CD1-CG1 3.87Å; I50-I357 HydrophobicContact CG1-CD1 4.16Å; I50-S378 WeakPolarHBondContact CD1-OG 3.33Å
51	C	98.1	Very high	97.4	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.219	C	C	.	.	S	Bend	trans	-149.9	-179.1	170.1	69.3	0	0	0	0	108.4	R53 F54 Q293 I295 D314	C51-R53 VanDerWaalsContact C-N 3.32Å; C51-R53 PolarHBondContact O-N 2.78Å; C51-F54 VanDerWaalsContact O-O 3.14Å; C51-F54 PolarHBondContact SG-N 3.38Å; C51-Q293 PolarHBondContact SG-OE1 2.86Å; C51-I295 HydrophobicContact CB-CG1 4.47Å; C51-D314 CarbonylContact C-O 3.48Å; C51-D314 WeakPolarHBondContact CA-O 3.42Å; C51-D314 HydrophobicContact CB-CB 4.16Å; C51-D314 WeakPolarHBondContact CB-O 3.1Å
52	K	97.1	Very high	97.7	Very high	84 Å²	84	41.2 Å²	41.2	37%	0.365	20%	0.199	S	C	.	.	S	Bend	trans	-52.7	-45.1	-177.7	-76.2	-179.9	-179.7	169.5	0	113.7	D314	K52-D314 HydrophobicContact CB-CB 4.28Å; K52-D314 HydrophobicContact CD-CB 4.48Å; K52-D314 HydrophobicContact CG-CB 4.39Å; K52-D314 PolarHBondContact N-O 2.74Å
53	R	96.4	Very high	97.8	Very high	148 Å²	148	35 Å²	35	56%	0.558	17%	0.166	S	C	*	.	S	Bend	trans	-84.1	-43.1	-177.1	-173.5	177.1	177.4	174.7	-1.2	113.9	C51 Q293	C51-R53 VanDerWaalsContact C-N 3.32Å; C51-R53 PolarHBondContact O-N 2.78Å; R53-Q293 HydrophobicContact CB-CG 3.85Å
54	F	97.3	Very high	97.9	Very high	26 Å²	26	29.9 Å²	29.9	11%	0.114	14%	0.143	C	C	.	.			trans	-97.1	135.8	-170.5	-67.6	-73.7	0	0	0	112.8	K49 I50 C51 I240 D264 I265 Q293	K49-F54 WeakPolarHBondContact CA-O 3.47Å; I50-F54 HydrophobicContact CG2-CB 3.67Å; I50-F54 WeakPolarHBondContact CG2-O 3.37Å; I50-F54 PolarHBondContact N-O 3Å; C51-F54 VanDerWaalsContact O-O 3.14Å; C51-F54 PolarHBondContact SG-N 3.38Å; F54-I240 HydrophobicContact CD1-CG2 4.27Å; F54-I240 HydrophobicContact CE1-CG2 4.04Å; F54-D264 HydrophobicContact CE2-CB 3.92Å; F54-D264 HydrophobicContact CZ-CB 3.81Å; F54-I265 HydrophobicContact CB-CD1 4.15Å; F54-I265 HydrophobicContact CD2-CD1 3.7Å; F54-I265 HydrophobicContact CD2-CG1 3.66Å; F54-I265 HydrophobicContact CE2-CD1 4.47Å; F54-I265 HydrophobicContact CE2-CG1 3.96Å; F54-I265 HydrophobicContact CG-CD1 4.19Å; F54-Q293 HydrophobicContact CD2-CB 4.41Å; F54-Q293 HydrophobicContact CD2-CG 3.83Å; F54-Q293 HydrophobicContact CE2-CB 4.43Å; F54-Q293 HydrophobicContact CE2-CG 3.76Å
55	S	97.5	Very high	97.7	Very high	64 Å²	64	30.5 Å²	30.5	45%	0.448	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	142.2	169.7	-60.6	0	0	0	0	110.4	S48	S48-S55 CarbonylContact O-C 3.57Å; S48-S55 VanDerWaalsContact O-CA 3.22Å; S48-S55 WeakPolarHBondContact O-CA 3.46Å
56	L	98.2	Very high	97.5	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	-107.5	139	178.6	-54.2	178.4	0	0	0	109.2	T47 S48 I50 V58 I83 I240	T47-L56 CarbonylContact C-O 3.55Å; T47-L56 VanDerWaalsContact CA-O 3.22Å; T47-L56 WeakPolarHBondContact CA-O 3.32Å; T47-L56 WeakPolarHBondContact CG2-O 3.45Å; S48-L56 PolarHBondContact N-O 2.68Å; S48-L56 PolarHBondContact O-N 2.88Å; I50-L56 HydrophobicContact CB-CD1 3.83Å; I50-L56 HydrophobicContact CB-CG 3.96Å; I50-L56 HydrophobicContact CD1-CD1 4.11Å; I50-L56 HydrophobicContact CG1-CD1 4.09Å; I50-L56 HydrophobicContact CG2-CD1 4.33Å; I50-L56 HydrophobicContact CG2-CD2 4.22Å; I50-L56 HydrophobicContact CG2-CG 4.05Å; L56-V58 WeakPolarHBondContact CB-O 3.47Å; L56-V58 PolarHBondContact O-N 3.12Å; L56-I83 HydrophobicContact CD1-CB 4.21Å; L56-I83 HydrophobicContact CD1-CG2 3.69Å; L56-I83 HydrophobicContact CD2-CB 4.05Å; L56-I83 HydrophobicContact CD2-CG2 4.37Å; L56-I240 HydrophobicContact CD2-CD1 3.56Å
57	K	97.4	Very high	97.3	Very high	107 Å²	107	27.8 Å²	27.8	47%	0.465	13%	0.132	S	C	.	.	S	Bend	trans	-69	-23.6	173.2	-66.4	-56.1	-173.3	-178.1	0	112.5	I46 T47 G81 L230	I46-K57 WeakPolarHBondContact CG1-O 3.3Å; T47-K57 HydrophobicContact CG2-CD 4.13Å; T47-K57 WeakPolarHBondContact OG1-CD 3.33Å; K57-G81 PolarHBondContact N-O 3.22Å; K57-L230 HydrophobicContact CB-CB 4.36Å; K57-L230 HydrophobicContact CB-CD2 4.46Å
58	V	98.2	Very high	97.3	Very high	2 Å²	2	26.3 Å²	26.3	1%	0.012	12%	0.122	C	C	.	.	S	Bend	trans	-128.2	124.4	175.4	175.4	0	0	0	0	107.6	I46 L56 F60 C80 G81 S82 V452 V456	I46-V58 HydrophobicContact CD1-CG2 4.44Å; L56-V58 WeakPolarHBondContact CB-O 3.47Å; L56-V58 PolarHBondContact O-N 3.12Å; V58-F60 HydrophobicContact CG1-CB 4.13Å; V58-F60 HydrophobicContact CG1-CD1 4.08Å; V58-F60 HydrophobicContact CG1-CD2 3.25Å; V58-F60 HydrophobicContact CG1-CE1 4.21Å; V58-F60 HydrophobicContact CG1-CE2 3.47Å; V58-F60 VanDerWaalsContact CG1-CE2 3.47Å; V58-F60 HydrophobicContact CG1-CG 3.57Å; V58-F60 HydrophobicContact CG1-CZ 3.94Å; V58-F60 PolarHBondContact O-N 3.11Å; V58-C80 VanDerWaalsContact CG2-O 3.29Å; V58-C80 WeakPolarHBondContact CG2-O 3.42Å; V58-G81 WeakPolarHBondContact CB-O 3.41Å; V58-G81 PolarHBondContact N-O 2.91Å; V58-S82 WeakPolarHBondContact CB-OG 3.44Å; V58-S82 VanDerWaalsContact CG1-OG 3.32Å; V58-S82 WeakPolarHBondContact CG1-OG 3.41Å; V58-V452 HydrophobicContact CG1-CG1 4.26Å; V58-V456 HydrophobicContact CB-CG2 4.3Å; V58-V456 HydrophobicContact CG1-CG2 3.53Å; V58-V456 HydrophobicContact CG2-CG2 3.76Å
59	P	98.3	Very high	97.3	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	12%	0.119	C	C	.	.			trans	-77.6	37.1	-167.9	35.6	-39.6	0	0	0	112.9	I46 S48 L372 S378 V379 I471	I46-P59 WeakPolarHBondContact O-CD 3.48Å; S48-P59 VanDerWaalsContact OG-CB 3.24Å; S48-P59 WeakPolarHBondContact OG-CB 3.45Å; P59-L372 HydrophobicContact CB-CD2 4.31Å; P59-L372 HydrophobicContact CG-CD1 4.09Å; P59-S378 CarbonylContact O-C 3.43Å; P59-S378 VanDerWaalsContact O-CA 3.28Å; P59-S378 WeakPolarHBondContact O-CA 3.26Å; P59-S378 VanDerWaalsContact O-CB 3.28Å; P59-S378 WeakPolarHBondContact O-CB 3.24Å; P59-V379 PolarHBondContact O-N 2.99Å; P59-I471 HydrophobicContact CB-CD1 3.97Å; P59-I471 HydrophobicContact CG-CD1 3.99Å
60	F	98.6	Very high	97.2	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	141.9	-172.8	-57.4	-13.9	0	0	0	110.7	V58 M77 S82 I83 I368 V379 M381 V452 L455 V456 V459	V58-F60 HydrophobicContact CG1-CB 4.13Å; V58-F60 HydrophobicContact CG1-CD1 4.08Å; V58-F60 HydrophobicContact CG1-CD2 3.25Å; V58-F60 HydrophobicContact CG1-CE1 4.21Å; V58-F60 HydrophobicContact CG1-CE2 3.47Å; V58-F60 VanDerWaalsContact CG1-CE2 3.47Å; V58-F60 HydrophobicContact CG1-CG 3.57Å; V58-F60 HydrophobicContact CG1-CZ 3.94Å; V58-F60 PolarHBondContact O-N 3.11Å; F60-M77 HydrophobicContact CB-CE 3.88Å; F60-S82 VanDerWaalsContact O-CB 3.25Å; F60-S82 WeakPolarHBondContact O-CB 3.33Å; F60-I83 PolarHBondContact O-N 2.96Å; F60-I368 HydrophobicContact CD1-CD1 4.5Å; F60-I368 HydrophobicContact CE1-CD1 3.95Å; F60-I368 HydrophobicContact CE1-CG2 3.87Å; F60-I368 HydrophobicContact CZ-CD1 4.18Å; F60-V379 HydrophobicContact CD1-CG2 3.77Å; F60-V379 HydrophobicContact CE1-CG2 4.37Å; F60-M381 HydrophobicContact CB-CE 3.57Å; F60-M381 HydrophobicContact CD1-CE 4.13Å; F60-M381 HydrophobicContact CD2-CE 3.94Å; F60-M381 HydrophobicContact CG-CE 3.6Å; F60-V452 HydrophobicContact CD2-CG1 3.94Å; F60-V452 HydrophobicContact CD2-CG2 4.43Å; F60-V452 HydrophobicContact CE2-CG1 4.08Å; F60-L455 HydrophobicContact CE2-CB 3.62Å; F60-L455 HydrophobicContact CE2-CD1 4.41Å; F60-L455 HydrophobicContact CZ-CB 3.81Å; F60-V456 HydrophobicContact CE2-CG2 3.81Å; F60-V456 HydrophobicContact CZ-CG2 4.14Å; F60-V459 HydrophobicContact CE1-CG2 4.34Å; F60-V459 HydrophobicContact CZ-CG2 4.25Å
61	A	98.6	Very high	97.2	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	138.1	172.5	0	0	0	0	0	110.3	I50 I83 F85 V379 M380 M381	I50-A61 HydrophobicContact CD1-CB 4.42Å; A61-I83 VanDerWaalsContact CA-O 3.31Å; A61-I83 WeakPolarHBondContact CA-O 3.4Å; A61-I83 HydrophobicContact CB-CG2 3.87Å; A61-F85 HydrophobicContact CB-CD2 4.16Å; A61-F85 HydrophobicContact CB-CE2 3.81Å; A61-V379 PolarHBondContact N-O 3.18Å; A61-M380 HydrophobicContact CB-CB 4.35Å; A61-M380 HydrophobicContact CB-CE 4.21Å; A61-M380 HydrophobicContact CB-CG 4.45Å; A61-M380 CarbonylContact O-C 3.52Å; A61-M380 VanDerWaalsContact O-CA 3.31Å; A61-M380 WeakPolarHBondContact O-CA 3.4Å; A61-M381 PolarHBondContact O-N 3.31Å
62	S	98.4	Very high	97	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	140.5	169.2	72.2	0	0	0	0	111.1	T69 I83 G84 F85	S62-T69 VanDerWaalsContact CB-OG1 3.23Å; S62-T69 WeakPolarHBondContact CB-OG1 3.47Å; S62-T69 WeakPolarHBondContact OG-CG2 3.39Å; S62-T69 PolarHBondContact OG-OG1 3.03Å; S62-I83 PolarHBondContact N-O 3.39Å; S62-G84 WeakPolarHBondContact OG-CA 3.1Å; S62-F85 PolarHBondContact O-N 3.48Å
63	S	97.5	Very high	97.1	Very high	4 Å²	4	30 Å²	30	3%	0.028	14%	0.139	C	C	.	.			trans	-68.9	141.7	-176.9	-174.7	0	0	0	0	112.3	M65 T69 M381	S63-M65 VanDerWaalsContact C-N 3.25Å; S63-M65 PolarHBondContact O-N 3.18Å; S63-M65 WeakPolarHBondContact OG-CG 3.35Å; S63-M65 PolarHBondContact OG-SD 3.08Å; S63-T69 WeakPolarHBondContact O-CB 3.49Å; S63-T69 PolarHBondContact O-OG1 3.26Å; S63-M381 PolarHBondContact N-O 3.38Å; S63-M381 VanDerWaalsContact N-O 3.11Å
64	P	97.2	Very high	97.1	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.112	C	C	.	.	S	Bend	trans	-73.9	77.8	173.3	31.4	-34.8	0	0	0	111.4	F85 A244 M380	P64-F85 WeakPolarHBondContact CA-O 3.44Å; P64-F85 HydrophobicContact CB-CB 3.97Å; P64-F85 HydrophobicContact CG-CB 4.32Å; P64-A244 HydrophobicContact CB-CB 3.55Å; P64-A244 HydrophobicContact CG-CB 4.12Å; P64-M380 VanDerWaalsContact CD-SD 3.59Å
65	M	95.5	Very high	97.1	Very high	13 Å²	13	22.7 Å²	22.7	6%	0.064	11%	0.112	C	C	.	.			trans	-133.5	142.7	178.5	-64	168.8	59.7	0	0	110.1	S63 T67 V68 T69 I325 Y406 R407 M409	S63-M65 VanDerWaalsContact C-N 3.25Å; S63-M65 PolarHBondContact O-N 3.18Å; S63-M65 WeakPolarHBondContact OG-CG 3.35Å; S63-M65 PolarHBondContact OG-SD 3.08Å; M65-T67 PolarHBondContact O-N 3.09Å; M65-T67 VanDerWaalsContact O-N 3.13Å; M65-V68 HydrophobicContact CB-CB 4.14Å; M65-V68 HydrophobicContact CB-CG2 3.92Å; M65-V68 HydrophobicContact CE-CG2 4.46Å; M65-V68 PolarHBondContact O-N 2.85Å; M65-V68 HydrophobicContact SD-CG2 4.26Å; M65-T69 PolarHBondContact O-N 2.94Å; M65-I325 HydrophobicContact CE-CD1 3.5Å; M65-Y406 HydrophobicContact CE-CD2 4.24Å; M65-Y406 HydrophobicContact CE-CE2 3.41Å; M65-Y406 VanDerWaalsContact CE-CE2 3.41Å; M65-Y406 HydrophobicContact SD-CE2 4.32Å; M65-R407 WeakPolarHBondContact CE-O 3.1Å; M65-M409 HydrophobicContact CB-SD 4.06Å; M65-M409 HydrophobicContact CG-CG 4.07Å; M65-M409 HydrophobicContact CG-SD 4.14Å
66	D	93.2	Very high	97.1	Very high	17 Å²	17	19.8 Å²	19.8	9%	0.091	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-14.2	179.3	56.9	20.4	0	0	0	114.8	H87 N89 A392 R407	D66-H87 VanDerWaalsContact CA-CD2 3.49Å; D66-H87 WeakPolarHBondContact CA-CD2 3.29Å; D66-N89 HydrophobicContact CB-CB 4.49Å; D66-N89 PolarHBondContact OD2-ND2 3.15Å; D66-A392 VanDerWaalsContact O-CB 3.24Å; D66-A392 WeakPolarHBondContact O-CB 3.39Å; D66-R407 VanDerWaalsContact CG-NH2 3.28Å; D66-R407 IonicContact OD1-CZ 2.69Å; D66-R407 IonicContact OD1-NE 3.11Å; D66-R407 PolarHBondContact OD1-NE 3.08Å; D66-R407 IonicContact OD1-NH2 2.88Å; D66-R407 IonicContact OD2-CZ 3.11Å; D66-R407 IonicContact OD2-NE 2.66Å; D66-R407 PolarHBondContact OD2-NE 2.88Å; D66-R407 IonicContact OD2-NH2 3.59Å; D66-R407 PolarHBondContact OD2-NH2 2.77Å
67	T	94.1	Very high	97.1	Very high	9 Å²	9	19.8 Å²	19.8	6%	0.055	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.8	4.9	173	46	0	0	0	0	113.3	M65 Y406 R407	M65-T67 PolarHBondContact O-N 3.09Å; M65-T67 VanDerWaalsContact O-N 3.13Å; T67-Y406 WeakPolarHBondContact OG1-CD2 3.35Å; T67-R407 HydrophobicContact CG2-CG 3.88Å; T67-R407 PolarHBondContact OG1-N 3.04Å; T67-R407 PolarHBondContact OG1-O 3.2Å
68	V	97	Very high	97.1	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.1	-59.2	-176.4	-173.8	0	0	0	0	111.8	M65 M73 L385 A386 S391 Y406	M65-V68 HydrophobicContact CB-CB 4.14Å; M65-V68 HydrophobicContact CB-CG2 3.92Å; M65-V68 HydrophobicContact CE-CG2 4.46Å; M65-V68 PolarHBondContact O-N 2.85Å; M65-V68 HydrophobicContact SD-CG2 4.26Å; V68-M73 WeakPolarHBondContact O-CB 3.16Å; V68-M73 WeakPolarHBondContact O-CG 3.43Å; V68-L385 HydrophobicContact CG1-CB 4.14Å; V68-A386 HydrophobicContact CG2-CB 4.1Å; V68-S391 WeakPolarHBondContact O-CA 3.49Å; V68-Y406 HydrophobicContact CG2-CD2 4.32Å; V68-Y406 HydrophobicContact CG2-CE2 3.84Å
69	T	98.1	Very high	96.9	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.07	C	C	.	.			trans	-125	104.1	-162.8	-48.2	0	0	0	0	114.6	S62 S63 M65 M73 A74 F85 H87	S62-T69 VanDerWaalsContact CB-OG1 3.23Å; S62-T69 WeakPolarHBondContact CB-OG1 3.47Å; S62-T69 WeakPolarHBondContact OG-CG2 3.39Å; S62-T69 PolarHBondContact OG-OG1 3.03Å; S63-T69 WeakPolarHBondContact O-CB 3.49Å; S63-T69 PolarHBondContact O-OG1 3.26Å; M65-T69 PolarHBondContact O-N 2.94Å; T69-M73 HydrophobicContact CG2-CB 4.25Å; T69-M73 HydrophobicContact CG2-CG 3.99Å; T69-A74 HydrophobicContact CG2-CB 4.21Å; T69-F85 WeakPolarHBondContact CB-O 3.44Å; T69-F85 WeakPolarHBondContact CG2-O 3.49Å; T69-H87 PolarHBondContact O-CD2 2.98Å
70	E	97.2	Very high	96.8	Very high	77 Å²	77	15.6 Å²	15.6	36%	0.36	8%	0.076	S	C	.	.	S	Bend	trans	-116.5	-168.4	158.6	-72.9	-178.7	163.2	0	0	109.4	K72 M73 A74 A392	E70-K72 VanDerWaalsContact C-N 3.29Å; E70-K72 PolarHBondContact O-N 2.92Å; E70-M73 PolarHBondContact O-N 2.8Å; E70-A74 WeakPolarHBondContact O-CB 3.26Å; E70-A74 PolarHBondContact O-N 2.97Å; E70-A392 HydrophobicContact CB-CB 4.27Å; E70-A392 HydrophobicContact CG-CB 3.71Å
71	A	96.5	Very high	96.7	Very high	4 Å²	4	15.6 Å²	15.6	3%	0.033	8%	0.076	C	C	.	.	H	α-helix	trans	-55.8	-38.4	-176.6	0	0	0	0	0	113.6	A74 I75 E98 K101 V102	A71-A74 PolarHBondContact O-N 3.18Å; A71-I75 HydrophobicContact CB-CD1 4.4Å; A71-I75 VanDerWaalsContact O-CB 3.3Å; A71-I75 WeakPolarHBondContact O-CB 3.46Å; A71-I75 WeakPolarHBondContact O-CD1 3.39Å; A71-I75 WeakPolarHBondContact O-CG1 3.27Å; A71-I75 PolarHBondContact O-N 3.27Å; A71-E98 WeakPolarHBondContact CA-OE2 3.42Å; A71-E98 WeakPolarHBondContact CB-OE2 3.39Å; A71-E98 PolarHBondContact N-OE2 3.21Å; A71-K101 HydrophobicContact CB-CB 3.73Å; A71-K101 HydrophobicContact CB-CD 4.04Å; A71-V102 HydrophobicContact CB-CG2 3.96Å
72	K	95.2	Very high	96.7	Very high	159 Å²	159	15.6 Å²	15.6	69%	0.691	8%	0.076	S	C	*	.	H	α-helix	trans	-59.7	-51.9	-179.9	-71.4	-178	-178.5	173.4	0	111.9	E70 A76 E390	E70-K72 VanDerWaalsContact C-N 3.29Å; E70-K72 PolarHBondContact O-N 2.92Å; K72-A76 WeakPolarHBondContact O-CB 3.41Å; K72-A76 PolarHBondContact O-N 2.83Å; K72-E390 HydrophobicContact CB-CB 4.44Å
73	M	98	Very high	96.7	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-61.9	-46.5	175.3	174.3	61.9	68.3	0	0	111.1	V68 T69 E70 I75 A76 M77 L385 T388 E390 V448	V68-M73 WeakPolarHBondContact O-CB 3.16Å; V68-M73 WeakPolarHBondContact O-CG 3.43Å; T69-M73 HydrophobicContact CG2-CB 4.25Å; T69-M73 HydrophobicContact CG2-CG 3.99Å; E70-M73 PolarHBondContact O-N 2.8Å; M73-I75 VanDerWaalsContact C-N 3.35Å; M73-I75 PolarHBondContact O-N 3.32Å; M73-A76 PolarHBondContact O-N 2.89Å; M73-M77 HydrophobicContact CG-CG 4.22Å; M73-M77 WeakPolarHBondContact O-CB 3.28Å; M73-M77 VanDerWaalsContact O-CG 3.29Å; M73-M77 WeakPolarHBondContact O-CG 3.22Å; M73-M77 PolarHBondContact O-N 3.06Å; M73-M77 HydrophobicContact SD-CG 3.62Å; M73-M77 HydrophobicContact SD-SD 4.16Å; M73-L385 HydrophobicContact CE-CB 3.99Å; M73-L385 HydrophobicContact SD-CD1 4.3Å; M73-T388 WeakPolarHBondContact CE-OG1 3.42Å; M73-E390 HydrophobicContact CE-CB 4.46Å; M73-E390 PolarHBondContact N-O 3.37Å; M73-V448 HydrophobicContact CE-CG2 3.82Å; M73-V448 HydrophobicContact SD-CG2 3.84Å
74	A	98.2	Very high	96.7	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-62.2	-40.5	-178.7	0	0	0	0	0	112.7	T69 E70 A71 S78 V102 V241	T69-A74 HydrophobicContact CG2-CB 4.21Å; E70-A74 WeakPolarHBondContact O-CB 3.26Å; E70-A74 PolarHBondContact O-N 2.97Å; A71-A74 PolarHBondContact O-N 3.18Å; A74-S78 VanDerWaalsContact O-CB 3.3Å; A74-S78 WeakPolarHBondContact O-CB 3.49Å; A74-S78 PolarHBondContact O-N 3.04Å; A74-S78 PolarHBondContact O-OG 3.16Å; A74-V102 HydrophobicContact CB-CG2 3.73Å; A74-V241 HydrophobicContact CB-CG2 4.19Å
75	I	96.8	Very high	96.8	Very high	21 Å²	21	15.4 Å²	15.4	11%	0.108	7%	0.074	C	C	.	.	H	α-helix	trans	-62.2	-52.3	172.7	-71.7	160	0	0	0	110	A71 M73 M77 S78 L79 V102 Y105 L239	A71-I75 HydrophobicContact CB-CD1 4.4Å; A71-I75 VanDerWaalsContact O-CB 3.3Å; A71-I75 WeakPolarHBondContact O-CB 3.46Å; A71-I75 WeakPolarHBondContact O-CD1 3.39Å; A71-I75 WeakPolarHBondContact O-CG1 3.27Å; A71-I75 PolarHBondContact O-N 3.27Å; M73-I75 VanDerWaalsContact C-N 3.35Å; M73-I75 PolarHBondContact O-N 3.32Å; I75-M77 PolarHBondContact O-N 2.94Å; I75-S78 PolarHBondContact O-N 3.27Å; I75-L79 HydrophobicContact CG2-CD1 3.69Å; I75-L79 HydrophobicContact CG2-CG 4.22Å; I75-L79 WeakPolarHBondContact O-CB 3.11Å; I75-L79 VanDerWaalsContact O-CG 3.27Å; I75-L79 WeakPolarHBondContact O-CG 3.41Å; I75-L79 PolarHBondContact O-N 3.19Å; I75-V102 HydrophobicContact CG1-CB 4.21Å; I75-V102 HydrophobicContact CG1-CG1 4Å; I75-V102 HydrophobicContact CG1-CG2 4.09Å; I75-Y105 HydrophobicContact CD1-CD2 3.68Å; I75-Y105 HydrophobicContact CD1-CE2 4.45Å; I75-Y105 HydrophobicContact CD1-CG 3.96Å; I75-Y105 HydrophobicContact CG1-CD2 4.23Å; I75-Y105 HydrophobicContact CG1-CG 4.06Å; I75-Y105 HydrophobicContact CG2-CD1 3.71Å; I75-Y105 HydrophobicContact CG2-CD2 3.82Å; I75-Y105 HydrophobicContact CG2-CE1 3.78Å; I75-Y105 HydrophobicContact CG2-CE2 3.86Å; I75-Y105 HydrophobicContact CG2-CG 3.73Å; I75-L239 HydrophobicContact CB-CD1 4.47Å; I75-L239 HydrophobicContact CG1-CD1 4.42Å; I75-L239 HydrophobicContact CG2-CD1 4.1Å
76	A	96.6	Very high	97	Very high	3 Å²	3	14.8 Å²	14.8	3%	0.025	7%	0.071	C	C	.	.	H	α-helix	trans	-60.6	-44.7	-176.6	0	0	0	0	0	112.4	K72 M73 L79 C80 E390 V448	K72-A76 WeakPolarHBondContact O-CB 3.41Å; K72-A76 PolarHBondContact O-N 2.83Å; M73-A76 PolarHBondContact O-N 2.89Å; A76-L79 PolarHBondContact O-N 3.05Å; A76-C80 PolarHBondContact O-N 3Å; A76-C80 VanDerWaalsContact O-N 3.08Å; A76-C80 PolarHBondContact O-SG 3.02Å; A76-E390 HydrophobicContact CB-CB 4.32Å; A76-E390 HydrophobicContact CB-CG 3.88Å; A76-V448 HydrophobicContact CB-CB 4.28Å; A76-V448 HydrophobicContact CB-CG1 4.23Å
77	M	98.2	Very high	97.2	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-60.5	-47.6	175	-71.2	-61.7	-70.3	0	0	111.5	F60 M73 I75 L79 C80 G81 S82 L385 V448 V452	F60-M77 HydrophobicContact CB-CE 3.88Å; M73-M77 HydrophobicContact CG-CG 4.22Å; M73-M77 WeakPolarHBondContact O-CB 3.28Å; M73-M77 VanDerWaalsContact O-CG 3.29Å; M73-M77 WeakPolarHBondContact O-CG 3.22Å; M73-M77 PolarHBondContact O-N 3.06Å; M73-M77 HydrophobicContact SD-CG 3.62Å; M73-M77 HydrophobicContact SD-SD 4.16Å; I75-M77 PolarHBondContact O-N 2.94Å; M77-L79 PolarHBondContact O-N 3.26Å; M77-C80 CarbonylContact O-C 3.56Å; M77-C80 PolarHBondContact O-N 3.21Å; M77-C80 VanDerWaalsContact O-N 3.1Å; M77-G81 PolarHBondContact O-N 3.46Å; M77-S82 VanDerWaalsContact CE-CB 3.5Å; M77-S82 CarbonylContact O-C 3.45Å; M77-S82 WeakPolarHBondContact O-CA 3.39Å; M77-S82 VanDerWaalsContact O-CB 3.23Å; M77-S82 WeakPolarHBondContact O-CB 3.42Å; M77-S82 PolarHBondContact O-N 3.37Å; M77-L385 HydrophobicContact CE-CD1 4.04Å; M77-L385 HydrophobicContact SD-CD1 3.98Å; M77-L385 HydrophobicContact SD-CD2 4.42Å; M77-V448 HydrophobicContact SD-CG1 3.74Å; M77-V452 HydrophobicContact SD-CG2 4.03Å
78	S	97.2	Very high	97.2	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-64.8	-39.5	-178.9	-55	0	0	0	0	111.9	A74 I75 C80 G81 S82 A231 S232 I240	A74-S78 VanDerWaalsContact O-CB 3.3Å; A74-S78 WeakPolarHBondContact O-CB 3.49Å; A74-S78 PolarHBondContact O-N 3.04Å; A74-S78 PolarHBondContact O-OG 3.16Å; I75-S78 PolarHBondContact O-N 3.27Å; S78-C80 VanDerWaalsContact C-N 3.27Å; S78-C80 PolarHBondContact O-N 3.17Å; S78-G81 PolarHBondContact O-N 3.45Å; S78-S82 WeakPolarHBondContact CA-O 3.27Å; S78-A231 CarbonylContact O-C 3.25Å; S78-A231 VanDerWaalsContact O-CA 3.22Å; S78-A231 WeakPolarHBondContact O-CA 3.38Å; S78-S232 PolarHBondContact O-N 3.17Å; S78-I240 PolarHBondContact OG-O 2.94Å
79	L	95.2	Very high	97	Very high	4 Å²	4	14.3 Å²	14.3	2%	0.021	7%	0.068	C	C	.	.	H	α-helix	trans	-61.9	-33.9	172.7	-70.7	172.3	0	0	0	112.6	I75 A76 M77 G81 Y105 H228 A231 L239	I75-L79 HydrophobicContact CG2-CD1 3.69Å; I75-L79 HydrophobicContact CG2-CG 4.22Å; I75-L79 WeakPolarHBondContact O-CB 3.11Å; I75-L79 VanDerWaalsContact O-CG 3.27Å; I75-L79 WeakPolarHBondContact O-CG 3.41Å; I75-L79 PolarHBondContact O-N 3.19Å; A76-L79 PolarHBondContact O-N 3.05Å; M77-L79 PolarHBondContact O-N 3.26Å; L79-G81 PolarHBondContact O-N 3.31Å; L79-Y105 HydrophobicContact CD1-CE1 3.81Å; L79-Y105 HydrophobicContact CD2-CE1 4.18Å; L79-Y105 HydrophobicContact CG-CE1 4.42Å; L79-H228 HydrophobicContact CB-CB 4.26Å; L79-H228 HydrophobicContact CD2-CB 4.07Å; L79-H228 WeakPolarHBondContact O-CB 3.36Å; L79-A231 HydrophobicContact CD2-CB 4.49Å; L79-L239 HydrophobicContact CD2-CD1 4.19Å; L79-L239 HydrophobicContact CD2-CD2 4.05Å; L79-L239 HydrophobicContact CG-CD1 4.17Å
80	C	95.6	Very high	96.8	Very high	17 Å²	17	15.2 Å²	15.2	12%	0.115	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	7.7	174.4	-70.6	0	0	0	0	114.1	V58 A76 M77 S78 S82 V452	V58-C80 VanDerWaalsContact CG2-O 3.29Å; V58-C80 WeakPolarHBondContact CG2-O 3.42Å; A76-C80 PolarHBondContact O-N 3Å; A76-C80 VanDerWaalsContact O-N 3.08Å; A76-C80 PolarHBondContact O-SG 3.02Å; M77-C80 CarbonylContact O-C 3.56Å; M77-C80 PolarHBondContact O-N 3.21Å; M77-C80 VanDerWaalsContact O-N 3.1Å; S78-C80 VanDerWaalsContact C-N 3.27Å; S78-C80 PolarHBondContact O-N 3.17Å; C80-S82 VanDerWaalsContact C-N 3.32Å; C80-V452 HydrophobicContact CB-CB 4.24Å; C80-V452 HydrophobicContact CB-CG1 3.73Å
81	G	97	Very high	96.6	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	78	17.3	-178.9	0	0	0	0	0	114.8	K57 V58 M77 S78 L79 L230 S232	K57-G81 PolarHBondContact N-O 3.22Å; V58-G81 WeakPolarHBondContact CB-O 3.41Å; V58-G81 PolarHBondContact N-O 2.91Å; M77-G81 PolarHBondContact O-N 3.46Å; S78-G81 PolarHBondContact O-N 3.45Å; L79-G81 PolarHBondContact O-N 3.31Å; G81-L230 WeakPolarHBondContact CA-O 3.49Å; G81-S232 VanDerWaalsContact CA-OG 3.27Å; G81-S232 WeakPolarHBondContact CA-OG 3.45Å; G81-S232 PolarHBondContact O-OG 2.82Å; G81-S232 VanDerWaalsContact O-OG 3.06Å
82	S	97.9	Very high	96.6	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.083	C	C	.	.			trans	-106.6	-159.7	175.7	-55.5	0	0	0	0	109.8	V58 F60 M77 S78 C80 S232	V58-S82 WeakPolarHBondContact CB-OG 3.44Å; V58-S82 VanDerWaalsContact CG1-OG 3.32Å; V58-S82 WeakPolarHBondContact CG1-OG 3.41Å; F60-S82 VanDerWaalsContact O-CB 3.25Å; F60-S82 WeakPolarHBondContact O-CB 3.33Å; M77-S82 VanDerWaalsContact CE-CB 3.5Å; M77-S82 CarbonylContact O-C 3.45Å; M77-S82 WeakPolarHBondContact O-CA 3.39Å; M77-S82 VanDerWaalsContact O-CB 3.23Å; M77-S82 WeakPolarHBondContact O-CB 3.42Å; M77-S82 PolarHBondContact O-N 3.37Å; S78-S82 WeakPolarHBondContact CA-O 3.27Å; C80-S82 VanDerWaalsContact C-N 3.32Å; S82-S232 PolarHBondContact N-OG 3.31Å; S82-S232 WeakPolarHBondContact O-CB 3.05Å; S82-S232 PolarHBondContact O-OG 3.36Å
83	I	98.5	Very high	96.7	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	153.8	171.6	-168.5	170.5	0	0	0	110.5	I50 L56 F60 A61 S62 F85 I240 I265	I50-I83 HydrophobicContact CD1-CG2 4.46Å; I50-I83 HydrophobicContact CG1-CG2 4.33Å; L56-I83 HydrophobicContact CD1-CB 4.21Å; L56-I83 HydrophobicContact CD1-CG2 3.69Å; L56-I83 HydrophobicContact CD2-CB 4.05Å; L56-I83 HydrophobicContact CD2-CG2 4.37Å; F60-I83 PolarHBondContact O-N 2.96Å; A61-I83 VanDerWaalsContact CA-O 3.31Å; A61-I83 WeakPolarHBondContact CA-O 3.4Å; A61-I83 HydrophobicContact CB-CG2 3.87Å; S62-I83 PolarHBondContact N-O 3.39Å; I83-F85 HydrophobicContact CD1-CZ 4.25Å; I83-F85 HydrophobicContact CG2-CD2 4.46Å; I83-F85 HydrophobicContact CG2-CE2 3.75Å; I83-F85 HydrophobicContact CG2-CZ 4.27Å; I83-I240 HydrophobicContact CD1-CD1 4.02Å; I83-I240 HydrophobicContact CD1-CG1 4.14Å; I83-I240 HydrophobicContact CG1-CD1 4.42Å; I83-I240 HydrophobicContact CG1-CG1 4.26Å; I83-I265 HydrophobicContact CD1-CD1 3.73Å; I83-I265 HydrophobicContact CD1-CG1 4.42Å
84	G	98.5	Very high	96.6	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	143.3	166.5	0	0	0	0	0	113	S62 G242	S62-G84 WeakPolarHBondContact OG-CA 3.1Å; G84-G242 PolarHBondContact O-N 3.16Å
85	F	98.7	Very high	96.6	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	111	174.6	-68.9	-85	0	0	0	111	I50 A61 S62 P64 T69 I83 H87 G242 I265 V267 I295 M380	I50-F85 HydrophobicContact CG1-CZ 4.44Å; A61-F85 HydrophobicContact CB-CD2 4.16Å; A61-F85 HydrophobicContact CB-CE2 3.81Å; S62-F85 PolarHBondContact O-N 3.48Å; P64-F85 WeakPolarHBondContact CA-O 3.44Å; P64-F85 HydrophobicContact CB-CB 3.97Å; P64-F85 HydrophobicContact CG-CB 4.32Å; T69-F85 WeakPolarHBondContact CB-O 3.44Å; T69-F85 WeakPolarHBondContact CG2-O 3.49Å; I83-F85 HydrophobicContact CD1-CZ 4.25Å; I83-F85 HydrophobicContact CG2-CD2 4.46Å; I83-F85 HydrophobicContact CG2-CE2 3.75Å; I83-F85 HydrophobicContact CG2-CZ 4.27Å; F85-H87 PolarHBondContact O-N 3.18Å; F85-G242 CarbonylContact C-O 3.6Å; F85-G242 WeakPolarHBondContact CA-O 3.22Å; F85-G242 VanDerWaalsContact CD1-CA 3.5Å; F85-I265 HydrophobicContact CE1-CB 4.23Å; F85-I265 HydrophobicContact CE1-CG2 4.08Å; F85-V267 HydrophobicContact CD1-CB 4.16Å; F85-V267 HydrophobicContact CD1-CG2 3.34Å; F85-V267 HydrophobicContact CE1-CB 4.42Å; F85-V267 HydrophobicContact CE1-CG2 3.24Å; F85-V267 HydrophobicContact CG-CG2 4.09Å; F85-V267 HydrophobicContact CZ-CG2 3.89Å; F85-I295 HydrophobicContact CE1-CD1 3.96Å; F85-I295 HydrophobicContact CZ-CD1 3.63Å; F85-M380 HydrophobicContact CD2-CE 3.55Å; F85-M380 HydrophobicContact CE2-CE 3.77Å; F85-M380 HydrophobicContact CG-CE 4.27Å
86	V	98.5	Very high	96.6	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	129.3	177.8	-176.3	0	0	0	0	109.8	Q95 E98 V99 V241 G242 A243 A244	V86-Q95 HydrophobicContact CG1-CG 3.87Å; V86-Q95 PolarHBondContact O-NE2 3.21Å; V86-E98 HydrophobicContact CG1-CB 3.82Å; V86-E98 HydrophobicContact CG1-CG 4.35Å; V86-E98 HydrophobicContact CG2-CB 4.42Å; V86-V99 HydrophobicContact CG2-CG2 4.41Å; V86-V241 HydrophobicContact CG2-CG2 4.1Å; V86-G242 PolarHBondContact N-O 2.86Å; V86-A243 WeakPolarHBondContact O-CA 3.44Å; V86-A244 PolarHBondContact O-N 2.87Å
87	H	97.3	Very high	96.6	Very high	8 Å²	8	18.8 Å²	18.8	4%	0.037	11%	0.111	C	C	.	.			trans	-66.2	162.7	178.6	71	89.7	0	0	0	112.6	D66 T69 F85 N89 Q95	D66-H87 VanDerWaalsContact CA-CD2 3.49Å; D66-H87 WeakPolarHBondContact CA-CD2 3.29Å; T69-H87 PolarHBondContact O-CD2 2.98Å; F85-H87 PolarHBondContact O-N 3.18Å; H87-N89 PolarHBondContact ND1-N 2.98Å; H87-N89 VanDerWaalsContact ND1-N 3.16Å; H87-Q95 WeakPolarHBondContact O-CG 3.17Å; H87-Q95 PolarHBondContact O-NE2 3.01Å
88	N	95.1	Very high	96.5	Very high	4 Å²	4	20.1 Å²	20.1	2%	0.021	12%	0.117	C	C	.	.			trans	-105.4	3	176.6	65.5	-24.3	0	0	0	114.3	C90 A244 S246 E420	N88-C90 PolarHBondContact O-N 3.24Å; N88-A244 WeakPolarHBondContact CB-O 3.16Å; N88-S246 PolarHBondContact ND2-N 2.97Å; N88-E420 WeakPolarHBondContact O-CB 3.04Å; N88-E420 VanDerWaalsContact O-CG 3.29Å; N88-E420 WeakPolarHBondContact O-CG 3.24Å
89	N	93	Very high	96.6	Very high	4 Å²	4	20.1 Å²	20.1	2%	0.021	12%	0.117	C	C	.	.	S	Bend	trans	-71.9	55.1	174.8	-155.8	41.6	0	0	0	112.6	D66 H87 M409 A414 H418 S421	D66-N89 HydrophobicContact CB-CB 4.49Å; D66-N89 PolarHBondContact OD2-ND2 3.15Å; H87-N89 PolarHBondContact ND1-N 2.98Å; H87-N89 VanDerWaalsContact ND1-N 3.16Å; N89-M409 HydrophobicContact CB-CE 3.51Å; N89-A414 PolarHBondContact ND2-O 2.9Å; N89-H418 VanDerWaalsContact C-CD2 3.49Å; N89-H418 PolarHBondContact O-CD2 3.28Å; N89-H418 VanDerWaalsContact OD1-CB 3.32Å; N89-H418 WeakPolarHBondContact OD1-CB 3.25Å; N89-S421 PolarHBondContact ND2-OG 3.17Å; N89-S421 PolarHBondContact OD1-OG 3.12Å
90	C	93.1	Very high	96.5	Very high	19 Å²	19	24.2 Å²	24.2	13%	0.128	13%	0.134	C	C	.	.	S	Bend	trans	-167.1	173.3	179.8	60.3	0	0	0	0	109.7	N88 A94 R254	N88-C90 PolarHBondContact O-N 3.24Å; C90-A94 HydrophobicContact CB-CB 4.12Å; C90-R254 PolarHBondContact O-NH1 3.12Å; C90-R254 PolarHBondContact O-NH2 3.27Å
91	S	94.5	Very high	96.3	Very high	54 Å²	54	28.9 Å²	28.9	38%	0.378	15%	0.153	S	C	.	.			trans	-62.6	161.6	177	91.7	0	0	0	0	112.4	E93 A94 Q95 R254	S91-E93 VanDerWaalsContact C-N 3.3Å; S91-E93 VanDerWaalsContact CB-OE2 3.31Å; S91-E93 WeakPolarHBondContact CB-OE2 3.21Å; S91-E93 PolarHBondContact O-N 2.87Å; S91-E93 PolarHBondContact OG-N 3.35Å; S91-E93 PolarHBondContact OG-OE2 3.38Å; S91-A94 PolarHBondContact O-N 3.49Å; S91-A94 PolarHBondContact OG-N 2.89Å; S91-A94 VanDerWaalsContact OG-N 3.14Å; S91-Q95 PolarHBondContact O-N 2.76Å; S91-Q95 VanDerWaalsContact O-N 3.1Å; S91-R254 PolarHBondContact O-NH1 3.09Å
92	V	96.1	Very high	96.3	Very high	34 Å²	34	28.9 Å²	28.9	21%	0.206	15%	0.153	C	C	.	.	H	α-helix	trans	-59	-44	177.3	173.5	0	0	0	0	111.1	Q95 A96 R254 A257	V92-Q95 PolarHBondContact O-N 2.82Å; V92-A96 WeakPolarHBondContact O-CB 3.43Å; V92-A96 PolarHBondContact O-N 3.5Å; V92-R254 HydrophobicContact CG1-CB 4.32Å; V92-R254 HydrophobicContact CG1-CG 4.48Å; V92-R254 HydrophobicContact CG2-CB 3.91Å; V92-R254 HydrophobicContact CG2-CG 4.23Å; V92-A257 HydrophobicContact CG1-CB 3.36Å
93	E	96.1	Very high	96	Very high	120 Å²	120	29.3 Å²	29.3	56%	0.561	16%	0.155	S	C	*	.	H	α-helix	trans	-67.4	-40.3	-179.5	-53.7	72.4	-155.3	0	0	111.4	S91 A96 N97	S91-E93 VanDerWaalsContact C-N 3.3Å; S91-E93 VanDerWaalsContact CB-OE2 3.31Å; S91-E93 WeakPolarHBondContact CB-OE2 3.21Å; S91-E93 PolarHBondContact O-N 2.87Å; S91-E93 PolarHBondContact OG-N 3.35Å; S91-E93 PolarHBondContact OG-OE2 3.38Å; E93-A96 PolarHBondContact O-N 3.46Å; E93-N97 VanDerWaalsContact O-CB 3.31Å; E93-N97 WeakPolarHBondContact O-CB 3.44Å; E93-N97 PolarHBondContact O-N 3.19Å; E93-N97 PolarHBondContact O-ND2 3.4Å
94	A	95.7	Very high	95.5	Very high	38 Å²	38	35.7 Å²	35.7	31%	0.314	18%	0.183	S	C	.	.	H	α-helix	trans	-61.3	-48.5	177.6	0	0	0	0	0	110.7	C90 S91 N97 E98	C90-A94 HydrophobicContact CB-CB 4.12Å; S91-A94 PolarHBondContact O-N 3.49Å; S91-A94 PolarHBondContact OG-N 2.89Å; S91-A94 VanDerWaalsContact OG-N 3.14Å; A94-N97 WeakPolarHBondContact O-CB 3.28Å; A94-N97 PolarHBondContact O-N 3.02Å; A94-E98 PolarHBondContact O-N 3.34Å
95	Q	97.8	Very high	94.8	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-64.5	-44.2	178.4	-161.5	-172.6	18.6	0	0	112.4	V86 H87 S91 V92 N97 E98 V99 A244 R254 L258	V86-Q95 HydrophobicContact CG1-CG 3.87Å; V86-Q95 PolarHBondContact O-NE2 3.21Å; H87-Q95 WeakPolarHBondContact O-CG 3.17Å; H87-Q95 PolarHBondContact O-NE2 3.01Å; S91-Q95 PolarHBondContact O-N 2.76Å; S91-Q95 VanDerWaalsContact O-N 3.1Å; V92-Q95 PolarHBondContact O-N 2.82Å; Q95-N97 VanDerWaalsContact C-N 3.25Å; Q95-N97 PolarHBondContact O-N 3.1Å; Q95-E98 WeakPolarHBondContact O-CB 3.4Å; Q95-E98 PolarHBondContact O-N 3.21Å; Q95-E98 VanDerWaalsContact O-N 3.16Å; Q95-V99 PolarHBondContact O-N 3.5Å; Q95-A244 PolarHBondContact NE2-O 3.41Å; Q95-R254 VanDerWaalsContact OE1-CG 3.31Å; Q95-L258 HydrophobicContact CB-CD2 4.36Å; Q95-L258 HydrophobicContact CG-CD2 3.91Å
96	A	97.8	Very high	93.6	Very high	9 Å²	9	39.9 Å²	39.9	7%	0.074	20%	0.199	C	C	.	.	H	α-helix	trans	-61.8	-35	176.4	0	0	0	0	0	111.9	V92 E93 V99 K100 A257 A261	V92-A96 WeakPolarHBondContact O-CB 3.43Å; V92-A96 PolarHBondContact O-N 3.5Å; E93-A96 PolarHBondContact O-N 3.46Å; A96-V99 PolarHBondContact O-N 2.89Å; A96-K100 WeakPolarHBondContact O-CB 3.42Å; A96-K100 PolarHBondContact O-N 3.48Å; A96-A257 HydrophobicContact CB-CB 4.23Å; A96-A261 HydrophobicContact CB-CB 4.16Å; A96-A261 WeakPolarHBondContact O-CB 3.22Å
97	N	96.1	Very high	92.1	Very high	84 Å²	84	41.5 Å²	41.5	45%	0.449	21%	0.206	S	C	.	.	H	α-helix	trans	-67.9	-39.9	173.5	-76.9	-25.4	0	0	0	112.4	E93 A94 Q95 K100 K101	E93-N97 VanDerWaalsContact O-CB 3.31Å; E93-N97 WeakPolarHBondContact O-CB 3.44Å; E93-N97 PolarHBondContact O-N 3.19Å; E93-N97 PolarHBondContact O-ND2 3.4Å; A94-N97 WeakPolarHBondContact O-CB 3.28Å; A94-N97 PolarHBondContact O-N 3.02Å; Q95-N97 VanDerWaalsContact C-N 3.25Å; Q95-N97 PolarHBondContact O-N 3.1Å; N97-K100 PolarHBondContact O-N 3.46Å; N97-K101 WeakPolarHBondContact O-CG 3.44Å; N97-K101 PolarHBondContact O-N 2.92Å
98	E	97.4	Very high	91.1	Very high	28 Å²	28	41.3 Å²	41.3	13%	0.131	21%	0.207	C	C	.	.	H	α-helix	trans	-59.3	-46.7	172.5	-69.5	-54.4	118.2	0	0	111.3	A71 V86 A94 Q95 K100 K101 V102	A71-E98 WeakPolarHBondContact CA-OE2 3.42Å; A71-E98 WeakPolarHBondContact CB-OE2 3.39Å; A71-E98 PolarHBondContact N-OE2 3.21Å; V86-E98 HydrophobicContact CG1-CB 3.82Å; V86-E98 HydrophobicContact CG1-CG 4.35Å; V86-E98 HydrophobicContact CG2-CB 4.42Å; A94-E98 PolarHBondContact O-N 3.34Å; Q95-E98 WeakPolarHBondContact O-CB 3.4Å; Q95-E98 PolarHBondContact O-N 3.21Å; Q95-E98 VanDerWaalsContact O-N 3.16Å; E98-K100 PolarHBondContact O-N 3.13Å; E98-K101 WeakPolarHBondContact O-CB 3.01Å; E98-K101 PolarHBondContact O-N 2.93Å; E98-K101 IonicContact OE1-NZ 3.93Å; E98-K101 PolarHBondContact OE1-NZ 2.94Å; E98-V102 WeakPolarHBondContact O-CG2 3.31Å; E98-V102 PolarHBondContact O-N 3.3Å
99	V	97.7	Very high	90.4	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-58.2	-48.3	174.5	168.9	0	0	0	0	111.4	V86 Q95 A96 K101 V102 K103 V241 A243 L258 A261 V263	V86-V99 HydrophobicContact CG2-CG2 4.41Å; Q95-V99 PolarHBondContact O-N 3.5Å; A96-V99 PolarHBondContact O-N 2.89Å; V99-K101 VanDerWaalsContact C-N 3.28Å; V99-K101 PolarHBondContact O-N 2.84Å; V99-V102 PolarHBondContact O-N 2.82Å; V99-K103 HydrophobicContact CG1-CG 4.3Å; V99-K103 PolarHBondContact O-N 2.93Å; V99-V241 HydrophobicContact CG1-CG1 3.81Å; V99-A243 HydrophobicContact CG2-CB 4.19Å; V99-L258 HydrophobicContact CG2-CD2 3.75Å; V99-A261 HydrophobicContact CB-CB 4.05Å; V99-A261 HydrophobicContact CG1-CB 3.72Å; V99-V263 HydrophobicContact CG1-CB 4.09Å
100	K	94.1	Very high	90.1	Very high	89 Å²	89	44.6 Å²	44.6	39%	0.387	22%	0.222	S	C	.	.	H	α-helix	trans	-56.8	-39.9	176.4	-93.9	173.5	-179.3	169.8	0	112.5	A96 N97 E98 V102 K103 K104 A261	A96-K100 WeakPolarHBondContact O-CB 3.42Å; A96-K100 PolarHBondContact O-N 3.48Å; N97-K100 PolarHBondContact O-N 3.46Å; E98-K100 PolarHBondContact O-N 3.13Å; K100-V102 VanDerWaalsContact C-N 3.3Å; K100-V102 PolarHBondContact O-N 3.22Å; K100-K103 PolarHBondContact O-N 2.79Å; K100-K104 VanDerWaalsContact O-CB 3.25Å; K100-K104 WeakPolarHBondContact O-CB 3.2Å; K100-K104 VanDerWaalsContact O-CG 3.25Å; K100-K104 WeakPolarHBondContact O-CG 3.47Å; K100-K104 PolarHBondContact O-N 3.34Å; K100-A261 HydrophobicContact CG-CB 3.94Å
101	K	92	Very high	89.6	Confident	116 Å²	116	48.7 Å²	48.7	50%	0.504	24%	0.242	S	C	.	.	H	α-helix	trans	-60.2	-41.1	176.4	-71.8	169.2	-172.9	172.1	0	111.2	A71 N97 E98 V99 Y105	A71-K101 HydrophobicContact CB-CB 3.73Å; A71-K101 HydrophobicContact CB-CD 4.04Å; N97-K101 WeakPolarHBondContact O-CG 3.44Å; N97-K101 PolarHBondContact O-N 2.92Å; E98-K101 WeakPolarHBondContact O-CB 3.01Å; E98-K101 PolarHBondContact O-N 2.93Å; E98-K101 IonicContact OE1-NZ 3.93Å; E98-K101 PolarHBondContact OE1-NZ 2.94Å; V99-K101 VanDerWaalsContact C-N 3.28Å; V99-K101 PolarHBondContact O-N 2.84Å; K101-Y105 PolarHBondContact O-N 2.96Å
102	V	95.4	Very high	89.1	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-67.2	-51.6	177.9	-172.9	0	0	0	0	111.2	A71 A74 I75 E98 V99 K100 K104 Y105 L239 V241	A71-V102 HydrophobicContact CB-CG2 3.96Å; A74-V102 HydrophobicContact CB-CG2 3.73Å; I75-V102 HydrophobicContact CG1-CB 4.21Å; I75-V102 HydrophobicContact CG1-CG1 4Å; I75-V102 HydrophobicContact CG1-CG2 4.09Å; E98-V102 WeakPolarHBondContact O-CG2 3.31Å; E98-V102 PolarHBondContact O-N 3.3Å; V99-V102 PolarHBondContact O-N 2.82Å; K100-V102 VanDerWaalsContact C-N 3.3Å; K100-V102 PolarHBondContact O-N 3.22Å; V102-K104 VanDerWaalsContact C-N 3.27Å; V102-K104 PolarHBondContact O-N 2.75Å; V102-Y105 VanDerWaalsContact O-CB 3.31Å; V102-Y105 WeakPolarHBondContact O-CB 3.39Å; V102-Y105 PolarHBondContact O-N 2.89Å; V102-L239 HydrophobicContact CG1-CB 4.12Å; V102-V241 HydrophobicContact CB-CB 4.09Å; V102-V241 HydrophobicContact CB-CG1 4.46Å; V102-V241 HydrophobicContact CB-CG2 4.04Å; V102-V241 HydrophobicContact CG1-CB 3.82Å; V102-V241 HydrophobicContact CG1-CG2 4.05Å; V102-V241 HydrophobicContact CG2-CG2 3.9Å
103	K	93.3	Very high	88.7	Confident	8 Å²	8	49.8 Å²	49.8	4%	0.035	25%	0.251	C	S	.	.	H	α-helix	trans	-61.9	-33.5	-179.3	-61.1	-56.4	-64.3	-173.3	0	112.7	V99 K100 D234 L239 V241 G262 D264	V99-K103 HydrophobicContact CG1-CG 4.3Å; V99-K103 PolarHBondContact O-N 2.93Å; K100-K103 PolarHBondContact O-N 2.79Å; K103-D234 IonicContact NZ-OD2 3.45Å; K103-D234 PolarHBondContact NZ-OD2 3.27Å; K103-L239 VanDerWaalsContact CD-O 3.3Å; K103-L239 WeakPolarHBondContact CD-O 3.48Å; K103-L239 WeakPolarHBondContact CE-O 3.44Å; K103-L239 PolarHBondContact NZ-O 2.91Å; K103-V241 HydrophobicContact CD-CG1 3.7Å; K103-V241 HydrophobicContact CG-CG1 4.14Å; K103-G262 WeakPolarHBondContact CD-O 3.4Å; K103-G262 VanDerWaalsContact CE-O 3.25Å; K103-G262 WeakPolarHBondContact CE-O 3.45Å; K103-G262 WeakPolarHBondContact CG-O 3.29Å; K103-D264 IonicContact NZ-OD1 3.21Å; K103-D264 PolarHBondContact NZ-OD1 3.48Å; K103-D264 VanDerWaalsContact NZ-OD1 3.11Å; K103-D264 IonicContact NZ-OD2 2.94Å; K103-D264 PolarHBondContact NZ-OD2 2.91Å
104	K	87.7	Confident	88.5	Confident	135 Å²	135	46.1 Å²	46.1	59%	0.587	24%	0.237	S	C	*	.	H	α-helix	trans	-81.3	-10.1	176.7	-68	-173.7	175.6	-167.2	0	114.5	K100 V102 N106	K100-K104 VanDerWaalsContact O-CB 3.25Å; K100-K104 WeakPolarHBondContact O-CB 3.2Å; K100-K104 VanDerWaalsContact O-CG 3.25Å; K100-K104 WeakPolarHBondContact O-CG 3.47Å; K100-K104 PolarHBondContact O-N 3.34Å; V102-K104 VanDerWaalsContact C-N 3.27Å; V102-K104 PolarHBondContact O-N 2.75Å; K104-N106 PolarHBondContact O-N 2.85Å
105	Y	84.3	Confident	88.5	Confident	87 Å²	87	45.3 Å²	45.3	34%	0.341	23%	0.227	S	C	.	.	H	α-helix	trans	-66.7	-37.8	-175.1	-176.6	-91.1	0	0	0	112.7	I75 L79 K101 V102 K224 L239	I75-Y105 HydrophobicContact CD1-CD2 3.68Å; I75-Y105 HydrophobicContact CD1-CE2 4.45Å; I75-Y105 HydrophobicContact CD1-CG 3.96Å; I75-Y105 HydrophobicContact CG1-CD2 4.23Å; I75-Y105 HydrophobicContact CG1-CG 4.06Å; I75-Y105 HydrophobicContact CG2-CD1 3.71Å; I75-Y105 HydrophobicContact CG2-CD2 3.82Å; I75-Y105 HydrophobicContact CG2-CE1 3.78Å; I75-Y105 HydrophobicContact CG2-CE2 3.86Å; I75-Y105 HydrophobicContact CG2-CG 3.73Å; L79-Y105 HydrophobicContact CD1-CE1 3.81Å; L79-Y105 HydrophobicContact CD2-CE1 4.18Å; L79-Y105 HydrophobicContact CG-CE1 4.42Å; K101-Y105 PolarHBondContact O-N 2.96Å; V102-Y105 VanDerWaalsContact O-CB 3.31Å; V102-Y105 WeakPolarHBondContact O-CB 3.39Å; V102-Y105 PolarHBondContact O-N 2.89Å; Y105-K224 HydrophobicContact CD1-CD 4.33Å; Y105-K224 HydrophobicContact CE1-CD 3.71Å; Y105-K224 HydrophobicContact CE1-CG 4.47Å; Y105-K224 PolarHBondContact O-NZ 3.24Å; Y105-L239 HydrophobicContact CD1-CD1 3.77Å; Y105-L239 HydrophobicContact CG-CD1 4.34Å
106	N	73.4	Confident	88.4	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.228	C	C	.	.	S	Bend	trans	-134.3	119.8	177.1	-165.8	-3.7	0	0	0	107.5	K104 D221 N225 Q238 L239	K104-N106 PolarHBondContact O-N 2.85Å; N106-D221 WeakPolarHBondContact OD1-CB 3.28Å; N106-N225 PolarHBondContact ND2-OD1 3.19Å; N106-Q238 WeakPolarHBondContact O-CA 3.49Å; N106-L239 HydrophobicContact CB-CG 4.14Å
107	Q	66.3	Low	88.3	Confident	34 Å²	34	45.8 Å²	45.8	16%	0.159	23%	0.23	C	C	.	.			trans	-130.7	121.8	-179.1	-62.1	-173.4	-42.3	0	0	106.2	I110	Q107-I110 HydrophobicContact CB-CG1 3.8Å
108	G	76	Confident	88.3	Confident	5 Å²	5	42.6 Å²	42.6	5%	0.052	21%	0.214	C	C	.	.	S	Bend	trans	-59.7	-67.8	173.8	0	0	0	0	0	109.4
109	F	81.6	Confident	88.2	Confident	57 Å²	57	51.3 Å²	51.3	25%	0.25	25%	0.246	C	C	.	.	S	Bend	trans	-100.9	124.1	165	-70.2	-87.3	0	0	0	109.3	L111 V187 L189 A192 I206 A215 I217	F109-L111 HydrophobicContact CB-CD2 4.16Å; F109-L111 PolarHBondContact O-N 3.23Å; F109-V187 HydrophobicContact CE1-CG1 4.22Å; F109-V187 HydrophobicContact CZ-CG1 4.31Å; F109-V187 WeakPolarHBondContact CZ-O 3.3Å; F109-L189 HydrophobicContact CD2-CD1 4.17Å; F109-L189 HydrophobicContact CE2-CB 3.77Å; F109-L189 HydrophobicContact CE2-CD1 3.96Å; F109-L189 HydrophobicContact CE2-CG 4.44Å; F109-L189 HydrophobicContact CZ-CB 4.4Å; F109-L189 HydrophobicContact CZ-CD1 4.44Å; F109-A192 HydrophobicContact CZ-CB 4.48Å; F109-I206 HydrophobicContact CD1-CG1 4.05Å; F109-I206 HydrophobicContact CE1-CD1 4.13Å; F109-I206 HydrophobicContact CE1-CG1 3.98Å; F109-A215 HydrophobicContact CB-CB 4.3Å; F109-A215 HydrophobicContact CD1-CB 4.13Å; F109-I217 HydrophobicContact CD1-CD1 3.84Å; F109-I217 HydrophobicContact CD1-CG1 3.86Å; F109-I217 HydrophobicContact CE1-CD1 3.56Å; F109-I217 HydrophobicContact CE1-CG1 4.12Å; F109-I217 HydrophobicContact CZ-CD1 4.1Å
110	I	85.8	Confident	88	Confident	19 Å²	19	54.3 Å²	54.3	10%	0.097	26%	0.26	C	S	.	.	B	Isolated β-bridge	trans	-82.3	101.1	169.9	-54.8	164.1	0	0	0	106.3	Q107 P113 A215 L216 A218	Q107-I110 HydrophobicContact CB-CG1 3.8Å; I110-P113 HydrophobicContact CG2-CB 3.88Å; I110-P113 HydrophobicContact CG2-CG 4.48Å; I110-P113 WeakPolarHBondContact O-CD 3.35Å; I110-A215 CarbonylContact O-C 3.6Å; I110-A215 WeakPolarHBondContact O-CA 3.3Å; I110-A215 WeakPolarHBondContact O-CB 3.25Å; I110-L216 WeakPolarHBondContact CA-O 3.45Å; I110-L216 HydrophobicContact CB-CB 4.16Å; I110-L216 WeakPolarHBondContact CB-O 3.44Å; I110-L216 HydrophobicContact CD1-CB 4.38Å; I110-L216 HydrophobicContact CD1-CD2 4.3Å; I110-L216 HydrophobicContact CD1-CG 4.42Å; I110-L216 VanDerWaalsContact CG1-O 3.31Å; I110-L216 WeakPolarHBondContact CG1-O 3.16Å; I110-L216 PolarHBondContact N-O 2.96Å; I110-L216 PolarHBondContact O-N 2.83Å; I110-A218 HydrophobicContact CD1-CB 4.36Å
111	L	83.3	Confident	88	Confident	105 Å²	105	52 Å²	52	55%	0.55	25%	0.254	S	S	.	.	S	Bend	trans	-76.7	-19.6	-175.5	-60.9	178.6	0	0	0	114	F109 M145 A215	F109-L111 HydrophobicContact CB-CD2 4.16Å; F109-L111 PolarHBondContact O-N 3.23Å; L111-M145 WeakPolarHBondContact O-CE 3.43Å; L111-A215 HydrophobicContact CD2-CB 4.26Å
112	S	83.9	Confident	88	Confident	99 Å²	99	46.5 Å²	46.5	69%	0.692	23%	0.23	S	C	*	.	S	Bend	trans	-141.1	66.5	179.1	-53.7	0	0	0	0	110.3
113	P	88	Confident	87.9	Confident	13 Å²	13	51.9 Å²	51.9	8%	0.084	25%	0.251	C	S	.	.			trans	-61.4	153.4	173.4	29.1	-36.4	0	0	0	110.1	I110 V115 P138 M145 L213 L216	I110-P113 HydrophobicContact CG2-CB 3.88Å; I110-P113 HydrophobicContact CG2-CG 4.48Å; I110-P113 WeakPolarHBondContact O-CD 3.35Å; P113-V115 HydrophobicContact CG-CG1 4.36Å; P113-V115 PolarHBondContact O-N 3.24Å; P113-P138 HydrophobicContact CB-CG 4.45Å; P113-P138 HydrophobicContact CG-CG 4.37Å; P113-M145 WeakPolarHBondContact CD-SD 3.45Å; P113-M145 HydrophobicContact CG-CE 4.12Å; P113-M145 HydrophobicContact CG-SD 3.51Å; P113-M145 VanDerWaalsContact CG-SD 3.51Å; P113-L213 HydrophobicContact CG-CD2 4.13Å; P113-L216 HydrophobicContact CB-CB 4.09Å; P113-L216 HydrophobicContact CB-CD2 3.97Å; P113-L216 HydrophobicContact CG-CB 4Å
114	V	91.6	Very high	87.8	Confident	43 Å²	43	53.7 Å²	53.7	26%	0.261	26%	0.261	S	S	.	.			trans	-65.7	129.2	165.2	176.4	0	0	0	0	107.4	I128 Y132 F134 I137 P138	V114-I128 HydrophobicContact CG1-CD1 3.83Å; V114-I128 HydrophobicContact CG1-CG1 4.25Å; V114-I128 HydrophobicContact CG1-CG2 4.14Å; V114-Y132 HydrophobicContact CG2-CD2 4.48Å; V114-Y132 HydrophobicContact CG2-CE2 4.25Å; V114-F134 HydrophobicContact CB-CE2 4.15Å; V114-F134 HydrophobicContact CB-CZ 3.91Å; V114-F134 HydrophobicContact CG2-CE2 4.44Å; V114-F134 HydrophobicContact CG2-CZ 3.71Å; V114-I137 WeakPolarHBondContact O-CG2 3.47Å; V114-P138 WeakPolarHBondContact O-CD 3.49Å
115	V	94.9	Very high	88	Confident	20 Å²	20	47.3 Å²	47.3	12%	0.121	23%	0.233	C	C	.	.			trans	-122.5	160.4	178.4	-65.4	0	0	0	0	109.7	P113 P138 T140 G143 M145 L213	P113-V115 HydrophobicContact CG-CG1 4.36Å; P113-V115 PolarHBondContact O-N 3.24Å; V115-P138 WeakPolarHBondContact CA-O 3.39Å; V115-P138 HydrophobicContact CG1-CB 4.11Å; V115-P138 HydrophobicContact CG1-CG 4.39Å; V115-T140 HydrophobicContact CB-CG2 4.45Å; V115-T140 HydrophobicContact CG1-CG2 4.33Å; V115-G143 WeakPolarHBondContact CG2-O 3.3Å; V115-M145 HydrophobicContact CG1-CG 4.29Å; V115-M145 HydrophobicContact CG1-SD 3.58Å; V115-M145 VanDerWaalsContact CG1-SD 3.58Å; V115-M145 HydrophobicContact CG2-CG 4.26Å; V115-L213 HydrophobicContact CG1-CD2 3.62Å
116	V	95.4	Very high	88.2	Confident	1 Å²	1	44.6 Å²	44.6	1%	0.006	22%	0.224	C	C	.	.	B	Isolated β-bridge	trans	-135.3	158.1	178.2	-67.6	0	0	0	0	110.7	Q120 I125 I128 I137 P138 V139 T140 V170	V116-Q120 VanDerWaalsContact CB-OE1 3.26Å; V116-I125 HydrophobicContact CB-CD1 4.43Å; V116-I125 HydrophobicContact CG1-CD1 3.94Å; V116-I125 HydrophobicContact CG2-CD1 3.93Å; V116-I128 HydrophobicContact CG1-CD1 3.68Å; V116-I137 HydrophobicContact CB-CG2 4.4Å; V116-I137 HydrophobicContact CG1-CG2 3.93Å; V116-I137 HydrophobicContact CG2-CG2 3.85Å; V116-P138 PolarHBondContact N-O 2.85Å; V116-V139 HydrophobicContact CG2-CB 4.47Å; V116-V139 HydrophobicContact CG2-CG1 4.4Å; V116-V139 HydrophobicContact CG2-CG2 3.96Å; V116-V139 CarbonylContact O-C 3.46Å; V116-V139 VanDerWaalsContact O-CA 3.3Å; V116-V139 WeakPolarHBondContact O-CA 3.25Å; V116-V139 WeakPolarHBondContact O-CG1 3.25Å; V116-T140 PolarHBondContact O-N 3.36Å; V116-V170 HydrophobicContact CG2-CG1 4.33Å
117	S	96.5	Very high	89	Confident	18 Å²	18	47.7 Å²	47.7	13%	0.126	24%	0.239	C	C	.	.			trans	-82.7	148.4	171.1	170.2	0	0	0	0	110.8	R119 Q120	S117-R119 PolarHBondContact O-N 3.14Å; S117-R119 VanDerWaalsContact O-N 3.09Å; S117-R119 PolarHBondContact OG-N 3.03Å; S117-Q120 PolarHBondContact O-N 3.2Å; S117-Q120 VanDerWaalsContact O-N 3.12Å
118	P	96	Very high	90.1	Very high	17 Å²	17	47 Å²	47	11%	0.11	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-25.7	173.6	20.6	-33.4	0	0	0	113.9	V139 T140 V150 V170 E171	P118-V139 HydrophobicContact CB-CG1 4.19Å; P118-T140 WeakPolarHBondContact CD-O 3.44Å; P118-V150 HydrophobicContact CG-CG2 4.39Å; P118-V170 PolarHBondContact O-N 3.24Å; P118-E171 HydrophobicContact CB-CB 3.8Å; P118-E171 PolarHBondContact O-N 2.87Å
119	R	94.9	Very high	90.7	Very high	211 Å²	211	50.5 Å²	50.5	80%	0.796	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-11.8	-177.5	-61.6	-177.2	-177.6	178.8	2.5	114.1	S117	S117-R119 PolarHBondContact O-N 3.14Å; S117-R119 VanDerWaalsContact O-N 3.09Å; S117-R119 PolarHBondContact OG-N 3.03Å
120	Q	93.8	Very high	90.9	Very high	63 Å²	63	54.7 Å²	54.7	29%	0.294	27%	0.268	S	S	.	.	S	Bend	trans	-67.1	147.5	178.2	-77.1	-178.3	-82.3	0	0	110.7	V116 S117 D124 P169 V170	V116-Q120 VanDerWaalsContact CB-OE1 3.26Å; S117-Q120 PolarHBondContact O-N 3.2Å; S117-Q120 VanDerWaalsContact O-N 3.12Å; Q120-D124 PolarHBondContact NE2-OD2 3.37Å; Q120-P169 WeakPolarHBondContact O-CA 3.49Å; Q120-V170 WeakPolarHBondContact O-CG2 3.22Å; Q120-V170 PolarHBondContact O-N 2.87Å
121	P	94	Very high	90.8	Very high	41 Å²	41	61.1 Å²	61.1	27%	0.266	30%	0.296	S	S	.	.	B	Isolated β-bridge	trans	-71.4	151.7	175.9	30.6	-35	0	0	0	111.2	Y123 D124 T168	P121-Y123 PolarHBondContact O-N 2.74Å; P121-Y123 VanDerWaalsContact O-N 3.12Å; P121-D124 WeakPolarHBondContact O-CB 3.25Å; P121-D124 PolarHBondContact O-N 3.1Å; P121-T168 WeakPolarHBondContact CA-O 3.49Å
122	I	92.8	Very high	90.8	Very high	1 Å²	1	61.6 Å²	61.6	1%	0.005	29%	0.291	C	S	.	.	H	α-helix	trans	-56.8	-27.3	173.6	-70.3	166.8	0	0	0	112.2	D124 I125 I126 V158 L161 F166 T168 V173	I122-D124 PolarHBondContact O-N 3.33Å; I122-I125 WeakPolarHBondContact O-CA 3.31Å; I122-I125 VanDerWaalsContact O-CB 3.26Å; I122-I125 WeakPolarHBondContact O-CB 3.49Å; I122-I125 PolarHBondContact O-N 3.35Å; I122-I126 HydrophobicContact CG2-CD1 4.35Å; I122-I126 PolarHBondContact O-N 3.35Å; I122-V158 HydrophobicContact CG2-CB 4.15Å; I122-V158 HydrophobicContact CG2-CG1 3.74Å; I122-L161 HydrophobicContact CD1-CD1 3.46Å; I122-L161 VanDerWaalsContact CD1-CD1 3.46Å; I122-L161 HydrophobicContact CG2-CD1 4.05Å; I122-F166 HydrophobicContact CG2-CD1 4.45Å; I122-F166 PolarHBondContact N-O 3.17Å; I122-F166 VanDerWaalsContact N-O 3.17Å; I122-T168 HydrophobicContact CD1-CG2 4.38Å; I122-T168 WeakPolarHBondContact CG1-O 3.33Å; I122-T168 PolarHBondContact N-O 3.48Å; I122-V173 HydrophobicContact CD1-CB 4.32Å; I122-V173 HydrophobicContact CD1-CG1 3.7Å; I122-V173 HydrophobicContact CD1-CG2 3.65Å; I122-V173 HydrophobicContact CG1-CG2 3.92Å
123	Y	92	Very high	90.7	Very high	113 Å²	113	60.1 Å²	60.1	44%	0.443	29%	0.291	S	S	.	.	H	α-helix	trans	-47	-41.7	170.1	-178.5	-98.6	0	0	0	112.9	P121 I125 I126 E127 F166	P121-Y123 PolarHBondContact O-N 2.74Å; P121-Y123 VanDerWaalsContact O-N 3.12Å; Y123-I125 VanDerWaalsContact C-N 3.29Å; Y123-I125 PolarHBondContact O-N 2.78Å; Y123-I126 PolarHBondContact O-N 3.43Å; Y123-I126 VanDerWaalsContact O-N 3.15Å; Y123-E127 HydrophobicContact CD1-CG 4.11Å; Y123-E127 HydrophobicContact CE1-CG 3.58Å; Y123-E127 HydrophobicContact CE2-CG 4.29Å; Y123-E127 PolarHBondContact O-N 3.43Å; Y123-F166 PolarHBondContact N-O 3.17Å
124	D	91.6	Very high	90.4	Very high	46 Å²	46	62.9 Å²	62.9	25%	0.246	30%	0.302	C	S	.	.	H	α-helix	trans	-64.6	-35.5	179.8	-70.2	-5.5	0	0	0	111.5	Q120 P121 I122 I126 E127 I128	Q120-D124 PolarHBondContact NE2-OD2 3.37Å; P121-D124 WeakPolarHBondContact O-CB 3.25Å; P121-D124 PolarHBondContact O-N 3.1Å; I122-D124 PolarHBondContact O-N 3.33Å; D124-I126 VanDerWaalsContact C-N 3.33Å; D124-I126 PolarHBondContact O-N 2.74Å; D124-E127 PolarHBondContact O-N 3.02Å; D124-I128 WeakPolarHBondContact O-CB 3.42Å; D124-I128 WeakPolarHBondContact O-CD1 3.32Å; D124-I128 WeakPolarHBondContact O-CG1 3.41Å; D124-I128 PolarHBondContact O-N 2.88Å
125	I	91.3	Very high	89.9	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-63.5	-41.2	175.8	-53.5	-55.1	0	0	0	110.9	V116 I122 Y123 I128 K129 I137 V153 V158 V170	V116-I125 HydrophobicContact CB-CD1 4.43Å; V116-I125 HydrophobicContact CG1-CD1 3.94Å; V116-I125 HydrophobicContact CG2-CD1 3.93Å; I122-I125 WeakPolarHBondContact O-CA 3.31Å; I122-I125 VanDerWaalsContact O-CB 3.26Å; I122-I125 WeakPolarHBondContact O-CB 3.49Å; I122-I125 PolarHBondContact O-N 3.35Å; Y123-I125 VanDerWaalsContact C-N 3.29Å; Y123-I125 PolarHBondContact O-N 2.78Å; I125-I128 PolarHBondContact O-N 3.03Å; I125-K129 PolarHBondContact O-N 2.93Å; I125-I137 HydrophobicContact CD1-CD1 3.86Å; I125-I137 HydrophobicContact CG2-CD1 4.02Å; I125-V153 HydrophobicContact CD1-CG1 3.66Å; I125-V153 HydrophobicContact CG1-CG1 4.23Å; I125-V158 HydrophobicContact CG2-CG2 4.34Å; I125-V170 HydrophobicContact CD1-CG2 3.96Å; I125-V170 HydrophobicContact CG1-CG2 3.86Å
126	I	89	Confident	89.7	Confident	30 Å²	30	60.6 Å²	60.6	15%	0.154	29%	0.291	C	S	.	.	H	α-helix	trans	-68.6	-41.7	179.5	-62.1	173	0	0	0	110.3	I122 Y123 D124 K129 K130 F166	I122-I126 HydrophobicContact CG2-CD1 4.35Å; I122-I126 PolarHBondContact O-N 3.35Å; Y123-I126 PolarHBondContact O-N 3.43Å; Y123-I126 VanDerWaalsContact O-N 3.15Å; D124-I126 VanDerWaalsContact C-N 3.33Å; D124-I126 PolarHBondContact O-N 2.74Å; I126-K129 WeakPolarHBondContact O-CB 3.27Å; I126-K129 PolarHBondContact O-N 3.21Å; I126-K130 WeakPolarHBondContact O-CG 3.48Å; I126-K130 PolarHBondContact O-N 2.88Å; I126-F166 HydrophobicContact CD1-CD1 3.81Å; I126-F166 HydrophobicContact CD1-CD2 3.46Å; I126-F166 VanDerWaalsContact CD1-CD2 3.46Å; I126-F166 HydrophobicContact CD1-CE1 3.62Å; I126-F166 HydrophobicContact CD1-CE2 3.26Å; I126-F166 HydrophobicContact CD1-CG 3.73Å; I126-F166 HydrophobicContact CD1-CZ 3.35Å
127	E	90.2	Very high	89.7	Confident	65 Å²	65	60.6 Å²	60.6	30%	0.304	29%	0.291	S	S	.	.	H	α-helix	trans	-66.4	-38.8	175.1	-71.6	-56.3	126.7	0	0	112	Y123 D124 K129 K130 K131	Y123-E127 HydrophobicContact CD1-CG 4.11Å; Y123-E127 HydrophobicContact CE1-CG 3.58Å; Y123-E127 HydrophobicContact CE2-CG 4.29Å; Y123-E127 PolarHBondContact O-N 3.43Å; D124-E127 PolarHBondContact O-N 3.02Å; E127-K129 VanDerWaalsContact C-N 3.33Å; E127-K129 PolarHBondContact O-N 3.39Å; E127-K130 PolarHBondContact O-N 2.99Å; E127-K130 WeakPolarHBondContact OE1-CD 3.37Å; E127-K130 IonicContact OE1-NZ 3.65Å; E127-K130 PolarHBondContact OE1-NZ 3.26Å; E127-K131 VanDerWaalsContact O-CB 3.25Å; E127-K131 WeakPolarHBondContact O-CB 3.37Å; E127-K131 PolarHBondContact O-N 3.48Å
128	I	90	Very high	89.6	Confident	21 Å²	21	59.7 Å²	59.7	11%	0.108	29%	0.285	C	S	.	.	H	α-helix	trans	-60.1	-44	171.9	-70.1	163.2	0	0	0	110.4	V114 V116 D124 I125 K130 K131 Y132 F134 I137	V114-I128 HydrophobicContact CG1-CD1 3.83Å; V114-I128 HydrophobicContact CG1-CG1 4.25Å; V114-I128 HydrophobicContact CG1-CG2 4.14Å; V116-I128 HydrophobicContact CG1-CD1 3.68Å; D124-I128 WeakPolarHBondContact O-CB 3.42Å; D124-I128 WeakPolarHBondContact O-CD1 3.32Å; D124-I128 WeakPolarHBondContact O-CG1 3.41Å; D124-I128 PolarHBondContact O-N 2.88Å; I125-I128 PolarHBondContact O-N 3.03Å; I128-K130 PolarHBondContact O-N 3.36Å; I128-K131 PolarHBondContact O-N 2.97Å; I128-Y132 HydrophobicContact CB-CD2 4.36Å; I128-Y132 HydrophobicContact CG2-CD2 3.81Å; I128-Y132 HydrophobicContact CG2-CE2 4.42Å; I128-Y132 WeakPolarHBondContact O-CD2 3.44Å; I128-Y132 PolarHBondContact O-N 3.23Å; I128-F134 HydrophobicContact CG2-CE2 4.02Å; I128-F134 HydrophobicContact CG2-CZ 4.39Å; I128-I137 HydrophobicContact CB-CD1 3.98Å; I128-I137 HydrophobicContact CD1-CD1 3.94Å; I128-I137 HydrophobicContact CG2-CD1 3.51Å; I128-I137 HydrophobicContact CG2-CG1 4.3Å
129	K	87.6	Confident	89.7	Confident	78 Å²	78	58.9 Å²	58.9	34%	0.339	28%	0.28	S	S	.	.	H	α-helix	trans	-59.5	-46.3	175.4	-177.1	-168.9	-167.1	168	0	111.5	I125 I126 E127 G133 F134 L155 D159	I125-K129 PolarHBondContact O-N 2.93Å; I126-K129 WeakPolarHBondContact O-CB 3.27Å; I126-K129 PolarHBondContact O-N 3.21Å; E127-K129 VanDerWaalsContact C-N 3.33Å; E127-K129 PolarHBondContact O-N 3.39Å; K129-G133 WeakPolarHBondContact O-CA 3.19Å; K129-G133 PolarHBondContact O-N 3.48Å; K129-F134 WeakPolarHBondContact CA-O 3.4Å; K129-L155 HydrophobicContact CB-CD2 4.37Å; K129-L155 HydrophobicContact CD-CD1 4.42Å; K129-L155 HydrophobicContact CD-CD2 3.44Å; K129-L155 VanDerWaalsContact CD-CD2 3.44Å; K129-L155 VanDerWaalsContact CE-CD2 3.5Å; K129-L155 HydrophobicContact CG-CD2 3.93Å; K129-D159 IonicContact NZ-OD1 2.87Å; K129-D159 PolarHBondContact NZ-OD1 2.91Å; K129-D159 VanDerWaalsContact NZ-OD1 3.11Å
130	K	86.1	Confident	89.8	Confident	144 Å²	144	48.9 Å²	48.9	63%	0.626	24%	0.242	S	C	*	.	H	α-helix	trans	-64	-42.9	178.2	-71.4	175.3	-171.9	165.5	0	112	I126 E127 I128	I126-K130 WeakPolarHBondContact O-CG 3.48Å; I126-K130 PolarHBondContact O-N 2.88Å; E127-K130 PolarHBondContact O-N 2.99Å; E127-K130 WeakPolarHBondContact OE1-CD 3.37Å; E127-K130 IonicContact OE1-NZ 3.65Å; E127-K130 PolarHBondContact OE1-NZ 3.26Å; I128-K130 PolarHBondContact O-N 3.36Å
131	K	84.6	Confident	89.9	Confident	155 Å²	155	50.5 Å²	50.5	67%	0.674	25%	0.25	S	C	*	.	H	α-helix	trans	-75.1	-41.9	-175.2	-175.7	172.4	179.6	177.8	0	113.2	E127 I128	E127-K131 VanDerWaalsContact O-CB 3.25Å; E127-K131 WeakPolarHBondContact O-CB 3.37Å; E127-K131 PolarHBondContact O-N 3.48Å; I128-K131 PolarHBondContact O-N 2.97Å
132	Y	82.3	Confident	89.9	Confident	115 Å²	115	52.4 Å²	52.4	45%	0.451	26%	0.257	S	S	.	.	H	α-helix	trans	-114.8	-10.7	-171.6	-54.5	-74.4	0	0	0	114.4	V114 I128 F134	V114-Y132 HydrophobicContact CG2-CD2 4.48Å; V114-Y132 HydrophobicContact CG2-CE2 4.25Å; I128-Y132 HydrophobicContact CB-CD2 4.36Å; I128-Y132 HydrophobicContact CG2-CD2 3.81Å; I128-Y132 HydrophobicContact CG2-CE2 4.42Å; I128-Y132 WeakPolarHBondContact O-CD2 3.44Å; I128-Y132 PolarHBondContact O-N 3.23Å; Y132-F134 VanDerWaalsContact C-N 3.3Å; Y132-F134 HydrophobicContact CD2-CZ 4.45Å; Y132-F134 HydrophobicContact CG-CE1 4.01Å; Y132-F134 HydrophobicContact CG-CZ 4.28Å; Y132-F134 PolarHBondContact O-N 3.46Å
133	G	81.5	Confident	89.9	Confident	67 Å²	67	53.1 Å²	53.1	69%	0.691	27%	0.265	S	S	*	.	S	Bend	trans	78.3	4.2	174.7	0	0	0	0	0	115.7	K129	K129-G133 WeakPolarHBondContact O-CA 3.19Å; K129-G133 PolarHBondContact O-N 3.48Å
134	F	82.7	Confident	89.9	Confident	71 Å²	71	55.8 Å²	55.8	31%	0.311	28%	0.275	S	S	.	.			trans	-121.4	157.7	175.6	63.9	-101.3	0	0	0	110.8	V114 I128 K129 Y132 I137	V114-F134 HydrophobicContact CB-CE2 4.15Å; V114-F134 HydrophobicContact CB-CZ 3.91Å; V114-F134 HydrophobicContact CG2-CE2 4.44Å; V114-F134 HydrophobicContact CG2-CZ 3.71Å; I128-F134 HydrophobicContact CG2-CE2 4.02Å; I128-F134 HydrophobicContact CG2-CZ 4.39Å; K129-F134 WeakPolarHBondContact CA-O 3.4Å; Y132-F134 VanDerWaalsContact C-N 3.3Å; Y132-F134 HydrophobicContact CD2-CZ 4.45Å; Y132-F134 HydrophobicContact CG-CE1 4.01Å; Y132-F134 HydrophobicContact CG-CZ 4.28Å; Y132-F134 PolarHBondContact O-N 3.46Å; F134-I137 HydrophobicContact CD2-CG1 4.5Å; F134-I137 HydrophobicContact CE2-CG1 4.3Å
135	G	80.9	Confident	89.9	Confident	8 Å²	8	56.5 Å²	56.5	8%	0.082	28%	0.278	C	S	.	.			trans	-146.2	47.9	176.2	0	0	0	0	0	112.7	T154 L155	G135-T154 CarbonylContact O-C 3.56Å; G135-T154 VanDerWaalsContact O-C 3.25Å; G135-T154 WeakPolarHBondContact O-CA 3.4Å; G135-L155 PolarHBondContact O-N 3.08Å
136	G	90.6	Very high	89.8	Confident	8 Å²	8	58.5 Å²	58.5	8%	0.082	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	102	163.1	0	0	0	0	0	107.5	V153	G136-V153 CarbonylContact C-O 3.39Å; G136-V153 WeakPolarHBondContact CA-O 3.25Å
137	I	94.7	Very high	90.1	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	118.9	-162.5	-57.1	171.4	0	0	0	108.1	V114 V116 I125 I128 F134 V153	V114-I137 WeakPolarHBondContact O-CG2 3.47Å; V116-I137 HydrophobicContact CB-CG2 4.4Å; V116-I137 HydrophobicContact CG1-CG2 3.93Å; V116-I137 HydrophobicContact CG2-CG2 3.85Å; I125-I137 HydrophobicContact CD1-CD1 3.86Å; I125-I137 HydrophobicContact CG2-CD1 4.02Å; I128-I137 HydrophobicContact CB-CD1 3.98Å; I128-I137 HydrophobicContact CD1-CD1 3.94Å; I128-I137 HydrophobicContact CG2-CD1 3.51Å; I128-I137 HydrophobicContact CG2-CG1 4.3Å; F134-I137 HydrophobicContact CD2-CG1 4.5Å; F134-I137 HydrophobicContact CE2-CG1 4.3Å; I137-V153 HydrophobicContact CB-CG1 3.96Å; I137-V153 PolarHBondContact N-O 3.33Å; I137-V153 PolarHBondContact O-N 3.46Å
138	P	96.2	Very high	90.4	Very high	0 Å²	0	60 Å²	60	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	144.6	172.5	-17.4	31.6	0	0	0	111.4	P113 V114 V115 V116 L149 L152 L213 L216	P113-P138 HydrophobicContact CB-CG 4.45Å; P113-P138 HydrophobicContact CG-CG 4.37Å; V114-P138 WeakPolarHBondContact O-CD 3.49Å; V115-P138 WeakPolarHBondContact CA-O 3.39Å; V115-P138 HydrophobicContact CG1-CB 4.11Å; V115-P138 HydrophobicContact CG1-CG 4.39Å; V116-P138 PolarHBondContact N-O 2.85Å; P138-L149 HydrophobicContact CB-CD1 3.8Å; P138-L152 HydrophobicContact CB-CD1 4.36Å; P138-L152 HydrophobicContact CG-CD1 4.16Å; P138-L213 HydrophobicContact CB-CD2 3.55Å; P138-L213 HydrophobicContact CG-CD2 3.88Å; P138-L216 HydrophobicContact CG-CD1 4Å; P138-L216 HydrophobicContact CG-CD2 3.95Å; P138-L216 HydrophobicContact CG-CG 4.46Å
139	V	97.1	Very high	90.8	Very high	0 Å²	0	59 Å²	59	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	118.4	178.5	-169.6	0	0	0	0	108.3	V116 P118 V150 G151 V153 V170 M174	V116-V139 HydrophobicContact CG2-CB 4.47Å; V116-V139 HydrophobicContact CG2-CG1 4.4Å; V116-V139 HydrophobicContact CG2-CG2 3.96Å; V116-V139 CarbonylContact O-C 3.46Å; V116-V139 VanDerWaalsContact O-CA 3.3Å; V116-V139 WeakPolarHBondContact O-CA 3.25Å; V116-V139 WeakPolarHBondContact O-CG1 3.25Å; P118-V139 HydrophobicContact CB-CG1 4.19Å; V139-V150 HydrophobicContact CB-CG2 4.06Å; V139-V150 HydrophobicContact CG1-CG2 3.7Å; V139-V150 VanDerWaalsContact O-CG2 3.29Å; V139-V150 WeakPolarHBondContact O-CG2 3.5Å; V139-V150 PolarHBondContact O-N 3.48Å; V139-G151 PolarHBondContact N-O 2.86Å; V139-G151 PolarHBondContact O-N 3.49Å; V139-V153 HydrophobicContact CG2-CB 4.48Å; V139-V153 HydrophobicContact CG2-CG1 4.28Å; V139-V170 HydrophobicContact CG1-CG1 4.26Å; V139-V170 HydrophobicContact CG2-CG1 3.73Å; V139-M174 HydrophobicContact CB-SD 3.86Å; V139-M174 HydrophobicContact CG1-SD 3.75Å; V139-M174 HydrophobicContact CG2-CB 4.23Å; V139-M174 HydrophobicContact CG2-SD 3.91Å
140	T	97	Very high	91.2	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	155.9	176.9	59.8	0	0	0	0	110.4	V115 V116 P118 D142 G143 Y144 R148 L213	V115-T140 HydrophobicContact CB-CG2 4.45Å; V115-T140 HydrophobicContact CG1-CG2 4.33Å; V116-T140 PolarHBondContact O-N 3.36Å; P118-T140 WeakPolarHBondContact CD-O 3.44Å; T140-D142 PolarHBondContact O-N 3.27Å; T140-D142 VanDerWaalsContact O-N 3.12Å; T140-G143 PolarHBondContact O-N 3.45Å; T140-G143 VanDerWaalsContact OG1-CA 3.32Å; T140-G143 WeakPolarHBondContact OG1-CA 3.45Å; T140-G143 PolarHBondContact OG1-N 2.95Å; T140-Y144 PolarHBondContact OG1-N 3.27Å; T140-Y144 VanDerWaalsContact OG1-N 3.16Å; T140-Y144 PolarHBondContact OG1-O 3.49Å; T140-R148 CarbonylContact C-O 3.49Å; T140-R148 VanDerWaalsContact CA-O 3.25Å; T140-R148 WeakPolarHBondContact CA-O 3.43Å; T140-L213 HydrophobicContact CG2-CB 4.2Å; T140-L213 HydrophobicContact CG2-CD2 4.2Å
141	E	95.7	Very high	91.7	Very high	98 Å²	98	50 Å²	50	46%	0.458	26%	0.26	S	S	.	.	S	Bend	trans	-50.5	-41.1	-174	-73.8	-175.6	168.8	0	0	113.3	R148 V150	E141-R148 HydrophobicContact CG-CB 4.01Å; E141-R148 HydrophobicContact CG-CG 4.43Å; E141-R148 PolarHBondContact N-O 3.43Å; E141-R148 VanDerWaalsContact OE1-CD 3.31Å; E141-R148 WeakPolarHBondContact OE1-CD 3.43Å; E141-R148 IonicContact OE1-NE 3.42Å; E141-R148 IonicContact OE1-NH1 3.18Å; E141-V150 HydrophobicContact CB-CG1 4.49Å; E141-V150 HydrophobicContact CG-CG1 3.42Å; E141-V150 VanDerWaalsContact CG-CG1 3.42Å
142	D	94.3	Very high	92.3	Very high	80 Å²	80	43.3 Å²	43.3	43%	0.428	23%	0.232	S	C	.	.	S	Bend	trans	-109.8	-5.5	-175.8	56.4	21.7	0	0	0	114.4	T140 Y144 S147	T140-D142 PolarHBondContact O-N 3.27Å; T140-D142 VanDerWaalsContact O-N 3.12Å; D142-Y144 HydrophobicContact CB-CD2 3.99Å; D142-Y144 WeakPolarHBondContact O-CD2 3.17Å; D142-Y144 WeakPolarHBondContact OD1-CB 3.37Å; D142-Y144 PolarHBondContact OD1-N 3.43Å; D142-S147 VanDerWaalsContact CG-CB 3.42Å; D142-S147 WeakPolarHBondContact OD1-CB 3.11Å; D142-S147 PolarHBondContact OD1-OG 2.92Å; D142-S147 VanDerWaalsContact OD2-CB 3.24Å; D142-S147 WeakPolarHBondContact OD2-CB 3.42Å; D142-S147 PolarHBondContact OD2-OG 3.33Å
143	G	92.6	Very high	92.9	Very high	16 Å²	16	37.9 Å²	37.9	17%	0.165	21%	0.21	C	C	.	.	S	Bend	trans	78.7	19.5	-174.5	0	0	0	0	0	115	V115 T140	V115-G143 WeakPolarHBondContact CG2-O 3.3Å; T140-G143 PolarHBondContact O-N 3.45Å; T140-G143 VanDerWaalsContact OG1-CA 3.32Å; T140-G143 WeakPolarHBondContact OG1-CA 3.45Å; T140-G143 PolarHBondContact OG1-N 2.95Å
144	Y	92.7	Very high	93.4	Very high	169 Å²	169	36.4 Å²	36.4	66%	0.663	19%	0.188	S	C	*	.	S	Bend	trans	-114.8	152.1	173.7	-63.2	-82.1	0	0	0	112.6	T140 D142 S147	T140-Y144 PolarHBondContact OG1-N 3.27Å; T140-Y144 VanDerWaalsContact OG1-N 3.16Å; T140-Y144 PolarHBondContact OG1-O 3.49Å; D142-Y144 HydrophobicContact CB-CD2 3.99Å; D142-Y144 WeakPolarHBondContact O-CD2 3.17Å; D142-Y144 WeakPolarHBondContact OD1-CB 3.37Å; D142-Y144 PolarHBondContact OD1-N 3.43Å; Y144-S147 WeakPolarHBondContact O-CB 3.35Å; Y144-S147 PolarHBondContact O-N 3.12Å
145	M	91.5	Very high	93.6	Very high	62 Å²	62	35.3 Å²	35.3	31%	0.305	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	145.3	170.6	-83.6	-60.8	-58.7	0	0	110.5	L111 P113 V115 S147 L213	L111-M145 WeakPolarHBondContact O-CE 3.43Å; P113-M145 WeakPolarHBondContact CD-SD 3.45Å; P113-M145 HydrophobicContact CG-CE 4.12Å; P113-M145 HydrophobicContact CG-SD 3.51Å; P113-M145 VanDerWaalsContact CG-SD 3.51Å; V115-M145 HydrophobicContact CG1-CG 4.29Å; V115-M145 HydrophobicContact CG1-SD 3.58Å; V115-M145 VanDerWaalsContact CG1-SD 3.58Å; V115-M145 HydrophobicContact CG2-CG 4.26Å; M145-S147 PolarHBondContact O-N 3.48Å; M145-L213 HydrophobicContact CE-CD2 4.23Å; M145-L213 HydrophobicContact CE-CG 4.1Å; M145-L213 WeakPolarHBondContact CE-O 3.5Å; M145-L213 HydrophobicContact SD-CD2 3.63Å; M145-L213 HydrophobicContact SD-CG 4.16Å
146	G	89.6	Confident	94.1	Very high	41 Å²	41	45.4 Å²	45.4	42%	0.423	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.9	-1.6	-173.8	0	0	0	0	0	114.2	E212 L213	G146-E212 WeakPolarHBondContact O-CB 3.25Å; G146-E212 WeakPolarHBondContact O-CG 3.3Å; G146-L213 PolarHBondContact N-O 3.16Å
147	S	94.6	Very high	94.1	Very high	16 Å²	16	47.4 Å²	47.4	11%	0.112	23%	0.23	C	C	.	.	S	Bend	trans	-88.2	166.5	170.8	-167.8	0	0	0	0	111.6	D142 Y144 M145 L149 E212 L213	D142-S147 VanDerWaalsContact CG-CB 3.42Å; D142-S147 WeakPolarHBondContact OD1-CB 3.11Å; D142-S147 PolarHBondContact OD1-OG 2.92Å; D142-S147 VanDerWaalsContact OD2-CB 3.24Å; D142-S147 WeakPolarHBondContact OD2-CB 3.42Å; D142-S147 PolarHBondContact OD2-OG 3.33Å; Y144-S147 WeakPolarHBondContact O-CB 3.35Å; Y144-S147 PolarHBondContact O-N 3.12Å; M145-S147 PolarHBondContact O-N 3.48Å; S147-L149 PolarHBondContact O-N 3.03Å; S147-E212 WeakPolarHBondContact O-CA 3.39Å; S147-L213 PolarHBondContact O-N 3.03Å
148	R	96.4	Very high	93.8	Very high	110 Å²	110	47.8 Å²	47.8	42%	0.415	23%	0.232	S	C	.	.	B	Isolated β-bridge	trans	-64.3	126.6	-176.1	-179.6	165	173.7	-162.2	7.5	111	T140 E141 V150 R211	T140-R148 CarbonylContact C-O 3.49Å; T140-R148 VanDerWaalsContact CA-O 3.25Å; T140-R148 WeakPolarHBondContact CA-O 3.43Å; E141-R148 HydrophobicContact CG-CB 4.01Å; E141-R148 HydrophobicContact CG-CG 4.43Å; E141-R148 PolarHBondContact N-O 3.43Å; E141-R148 VanDerWaalsContact OE1-CD 3.31Å; E141-R148 WeakPolarHBondContact OE1-CD 3.43Å; E141-R148 IonicContact OE1-NE 3.42Å; E141-R148 IonicContact OE1-NH1 3.18Å; R148-V150 PolarHBondContact O-N 2.94Å; R148-R211 WeakPolarHBondContact CA-O 3.39Å; R148-R211 HydrophobicContact CG-CB 4.17Å
149	L	97.2	Very high	93.2	Very high	2 Å²	2	51.5 Å²	51.5	1%	0.01	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	122.6	178.1	-176.2	71.9	0	0	0	109.9	P138 S147 G151 F177 L180 T182 P205 I207 R211 L213	P138-L149 HydrophobicContact CB-CD1 3.8Å; S147-L149 PolarHBondContact O-N 3.03Å; L149-G151 WeakPolarHBondContact CD1-O 3.46Å; L149-F177 HydrophobicContact CB-CD2 4.29Å; L149-F177 HydrophobicContact CB-CE2 4.4Å; L149-F177 HydrophobicContact CD2-CD2 4.12Å; L149-F177 HydrophobicContact CD2-CE2 4.14Å; L149-F177 HydrophobicContact CG-CD2 4.17Å; L149-F177 WeakPolarHBondContact O-CD2 3.47Å; L149-L180 HydrophobicContact CD2-CD1 4.18Å; L149-T182 HydrophobicContact CD2-CG2 4.18Å; L149-P205 HydrophobicContact CD2-CB 3.53Å; L149-P205 HydrophobicContact CD2-CG 3.99Å; L149-I207 HydrophobicContact CB-CG2 4.22Å; L149-I207 HydrophobicContact CD2-CG2 3.81Å; L149-R211 PolarHBondContact N-O 3.16Å; L149-L213 HydrophobicContact CD1-CD1 4.34Å; L149-L213 HydrophobicContact CD1-CD2 4.47Å
150	V	97.1	Very high	92.7	Very high	32 Å²	32	60.9 Å²	60.9	19%	0.194	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	-19.3	178.9	-64.1	0	0	0	0	113.3	P118 V139 E141 R148 M174 F177	P118-V150 HydrophobicContact CG-CG2 4.39Å; V139-V150 HydrophobicContact CB-CG2 4.06Å; V139-V150 HydrophobicContact CG1-CG2 3.7Å; V139-V150 VanDerWaalsContact O-CG2 3.29Å; V139-V150 WeakPolarHBondContact O-CG2 3.5Å; V139-V150 PolarHBondContact O-N 3.48Å; E141-V150 HydrophobicContact CB-CG1 4.49Å; E141-V150 HydrophobicContact CG-CG1 3.42Å; E141-V150 VanDerWaalsContact CG-CG1 3.42Å; R148-V150 PolarHBondContact O-N 2.94Å; V150-M174 HydrophobicContact CB-CE 4.47Å; V150-M174 HydrophobicContact CG2-CE 4.22Å; V150-M174 HydrophobicContact CG2-SD 4.43Å; V150-F177 WeakPolarHBondContact O-CB 3.31Å; V150-F177 PolarHBondContact O-N 3.45Å
151	G	96.9	Very high	92.3	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-176.6	-175.5	-179.2	0	0	0	0	0	114.3	V139 L149 T175	V139-G151 PolarHBondContact N-O 2.86Å; V139-G151 PolarHBondContact O-N 3.49Å; L149-G151 WeakPolarHBondContact CD1-O 3.46Å; G151-T175 CarbonylContact C-O 3.58Å; G151-T175 WeakPolarHBondContact CA-O 3.33Å
152	L	96.1	Very high	91.9	Very high	14 Å²	14	62.4 Å²	62.4	7%	0.073	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	132.5	173.6	-175.9	84.3	0	0	0	108.2	P138 T154 T175 L180 K203	P138-L152 HydrophobicContact CB-CD1 4.36Å; P138-L152 HydrophobicContact CG-CD1 4.16Å; L152-T154 HydrophobicContact CD2-CG2 3.98Å; L152-T154 HydrophobicContact CG-CG2 4.36Å; L152-T175 PolarHBondContact N-O 2.94Å; L152-T175 PolarHBondContact O-N 2.89Å; L152-L180 HydrophobicContact CB-CD1 4.05Å; L152-L180 HydrophobicContact CB-CD2 3.69Å; L152-K203 HydrophobicContact CD1-CB 4.5Å; L152-K203 HydrophobicContact CD2-CB 4.09Å
153	V	94.8	Very high	91.5	Very high	1 Å²	1	63 Å²	63	1%	0.006	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	136.1	171.1	66.1	0	0	0	0	109.9	I125 G136 I137 V139 D157 V158 V170 V173 M174	I125-V153 HydrophobicContact CD1-CG1 3.66Å; I125-V153 HydrophobicContact CG1-CG1 4.23Å; G136-V153 CarbonylContact C-O 3.39Å; G136-V153 WeakPolarHBondContact CA-O 3.25Å; I137-V153 HydrophobicContact CB-CG1 3.96Å; I137-V153 PolarHBondContact N-O 3.33Å; I137-V153 PolarHBondContact O-N 3.46Å; V139-V153 HydrophobicContact CG2-CB 4.48Å; V139-V153 HydrophobicContact CG2-CG1 4.28Å; V153-D157 HydrophobicContact CG2-CB 4.18Å; V153-V158 HydrophobicContact CG2-CG1 4.15Å; V153-V170 HydrophobicContact CB-CG1 4.3Å; V153-V170 HydrophobicContact CG1-CG1 4.25Å; V153-V173 HydrophobicContact CG2-CG2 4.41Å; V153-M174 HydrophobicContact CB-CB 4.37Å
154	T	93.2	Very high	91.2	Very high	37 Å²	37	68.7 Å²	68.7	23%	0.227	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	164.2	178.8	74.2	0	0	0	0	111.2	G135 L152 R156 D157	G135-T154 CarbonylContact O-C 3.56Å; G135-T154 VanDerWaalsContact O-C 3.25Å; G135-T154 WeakPolarHBondContact O-CA 3.4Å; L152-T154 HydrophobicContact CD2-CG2 3.98Å; L152-T154 HydrophobicContact CG-CG2 4.36Å; T154-R156 PolarHBondContact O-N 3.22Å; T154-D157 WeakPolarHBondContact CA-OD2 3.34Å; T154-D157 WeakPolarHBondContact CB-OD2 3.16Å; T154-D157 PolarHBondContact N-OD2 2.95Å; T154-D157 WeakPolarHBondContact O-CB 3.18Å; T154-D157 PolarHBondContact O-N 3.25Å; T154-D157 PolarHBondContact OG1-OD2 3.32Å
155	L	87.2	Confident	91	Very high	48 Å²	48	64.2 Å²	64.2	25%	0.251	33%	0.327	S	S	.	.	H	α-helix	trans	-54.6	-36	175.8	-68.2	-177.5	0	0	0	112.7	K129 G135 D157 V158 D159	K129-L155 HydrophobicContact CB-CD2 4.37Å; K129-L155 HydrophobicContact CD-CD1 4.42Å; K129-L155 HydrophobicContact CD-CD2 3.44Å; K129-L155 VanDerWaalsContact CD-CD2 3.44Å; K129-L155 VanDerWaalsContact CE-CD2 3.5Å; K129-L155 HydrophobicContact CG-CD2 3.93Å; G135-L155 PolarHBondContact O-N 3.08Å; L155-D157 PolarHBondContact O-N 3.06Å; L155-D157 VanDerWaalsContact O-N 3.17Å; L155-V158 WeakPolarHBondContact O-CG2 3.32Å; L155-V158 PolarHBondContact O-N 3.49Å; L155-D159 VanDerWaalsContact O-CB 3.3Å; L155-D159 WeakPolarHBondContact O-CB 3.43Å; L155-D159 PolarHBondContact O-N 2.99Å
156	R	90.1	Very high	91	Very high	220 Å²	220	63.6 Å²	63.6	83%	0.83	32%	0.322	S	S	*	.	H	α-helix	trans	-63.6	-24.1	179.9	-68.1	-176.5	178.5	-176.1	-3	113.2	T154 V158	T154-R156 PolarHBondContact O-N 3.22Å; R156-V158 VanDerWaalsContact C-N 3.3Å
157	D	90.7	Very high	91.1	Very high	49 Å²	49	68.2 Å²	68.2	26%	0.262	34%	0.337	S	S	.	.	H	α-helix	trans	-80.6	-16.2	-179.7	-49.6	-44.3	0	0	0	111.4	V153 T154 L155	V153-D157 HydrophobicContact CG2-CB 4.18Å; T154-D157 WeakPolarHBondContact CA-OD2 3.34Å; T154-D157 WeakPolarHBondContact CB-OD2 3.16Å; T154-D157 PolarHBondContact N-OD2 2.95Å; T154-D157 WeakPolarHBondContact O-CB 3.18Å; T154-D157 PolarHBondContact O-N 3.25Å; T154-D157 PolarHBondContact OG1-OD2 3.32Å; L155-D157 PolarHBondContact O-N 3.06Å; L155-D157 VanDerWaalsContact O-N 3.17Å
158	V	88.7	Confident	91	Very high	9 Å²	9	69.1 Å²	69.1	6%	0.055	34%	0.342	C	S	.	.	H	α-helix	trans	-125.1	-15.6	-174.7	-59.1	0	0	0	0	115	I122 I125 V153 L155 R156 F160 L161 V173	I122-V158 HydrophobicContact CG2-CB 4.15Å; I122-V158 HydrophobicContact CG2-CG1 3.74Å; I125-V158 HydrophobicContact CG2-CG2 4.34Å; V153-V158 HydrophobicContact CG2-CG1 4.15Å; L155-V158 WeakPolarHBondContact O-CG2 3.32Å; L155-V158 PolarHBondContact O-N 3.49Å; R156-V158 VanDerWaalsContact C-N 3.3Å; V158-F160 PolarHBondContact O-N 3.28Å; V158-F160 VanDerWaalsContact O-N 3.08Å; V158-L161 HydrophobicContact CB-CD1 4.04Å; V158-L161 HydrophobicContact CG1-CD1 4.06Å; V158-L161 PolarHBondContact O-N 3.06Å; V158-V173 HydrophobicContact CG1-CG2 4.42Å
159	D	84.2	Confident	90.9	Very high	78 Å²	78	65.5 Å²	65.5	42%	0.417	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-21.1	-170.7	-81.4	-23.9	0	0	0	113.8	K129 L155	K129-D159 IonicContact NZ-OD1 2.87Å; K129-D159 PolarHBondContact NZ-OD1 2.91Å; K129-D159 VanDerWaalsContact NZ-OD1 3.11Å; L155-D159 VanDerWaalsContact O-CB 3.3Å; L155-D159 WeakPolarHBondContact O-CB 3.43Å; L155-D159 PolarHBondContact O-N 2.99Å
160	F	87.1	Confident	90.8	Very high	197 Å²	197	65.4 Å²	65.4	86%	0.864	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.2	13.7	-178.2	-59.9	-66.8	0	0	0	114.3	V158	V158-F160 PolarHBondContact O-N 3.28Å; V158-F160 VanDerWaalsContact O-N 3.08Å
161	L	86.7	Confident	90.7	Very high	50 Å²	50	68.7 Å²	68.7	26%	0.262	35%	0.346	S	S	.	.			trans	-74.1	142.3	174.4	-67.3	172.5	0	0	0	110.6	I122 V158 F166 V173	I122-L161 HydrophobicContact CD1-CD1 3.46Å; I122-L161 VanDerWaalsContact CD1-CD1 3.46Å; I122-L161 HydrophobicContact CG2-CD1 4.05Å; V158-L161 HydrophobicContact CB-CD1 4.04Å; V158-L161 HydrophobicContact CG1-CD1 4.06Å; V158-L161 PolarHBondContact O-N 3.06Å; L161-F166 HydrophobicContact CB-CE1 4.17Å; L161-V173 HydrophobicContact CD1-CG1 4.31Å
162	D	87.6	Confident	90.5	Very high	79 Å²	79	76 Å²	76	42%	0.422	38%	0.378	S	S	.	.			trans	-65.2	138.9	172.2	-169	-67.4	0	0	0	108.8	N164 D165	D162-N164 PolarHBondContact O-N 2.69Å; D162-N164 VanDerWaalsContact OD1-CB 3.28Å; D162-N164 WeakPolarHBondContact OD1-CB 3.5Å; D162-N164 VanDerWaalsContact OD1-CG 3.27Å; D162-N164 PolarHBondContact OD1-N 3.04Å; D162-N164 PolarHBondContact OD1-ND2 2.74Å; D162-D165 WeakPolarHBondContact O-CB 3.35Å; D162-D165 PolarHBondContact O-N 3Å
163	P	86.3	Confident	90.4	Very high	94 Å²	94	77 Å²	77	61%	0.61	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-51.1	-27.5	175.1	-29.3	36.2	0	0	0	114.7	D165 F166	P163-D165 PolarHBondContact O-N 3.3Å; P163-F166 HydrophobicContact CB-CE2 4.17Å; P163-F166 HydrophobicContact CB-CZ 4.3Å; P163-F166 HydrophobicContact CG-CZ 4.35Å; P163-F166 WeakPolarHBondContact O-CG 3.38Å; P163-F166 PolarHBondContact O-N 2.84Å
164	N	87.4	Confident	90.4	Very high	135 Å²	135	78.5 Å²	78.5	72%	0.722	39%	0.392	S	S	*	.	G	3₁₀ helix	trans	-65.1	-24.4	174.8	-65.1	-52.6	0	0	0	113.1	D162	D162-N164 PolarHBondContact O-N 2.69Å; D162-N164 VanDerWaalsContact OD1-CB 3.28Å; D162-N164 WeakPolarHBondContact OD1-CB 3.5Å; D162-N164 VanDerWaalsContact OD1-CG 3.27Å; D162-N164 PolarHBondContact OD1-N 3.04Å; D162-N164 PolarHBondContact OD1-ND2 2.74Å
165	D	88.4	Confident	90.5	Very high	74 Å²	74	78.7 Å²	78.7	40%	0.396	39%	0.393	S	S	.	.	G	3₁₀ helix	trans	-89.3	-0	-178.4	-64.2	-38.5	0	0	0	113.2	D162 P163 N167 T168	D162-D165 WeakPolarHBondContact O-CB 3.35Å; D162-D165 PolarHBondContact O-N 3Å; P163-D165 PolarHBondContact O-N 3.3Å; D165-N167 PolarHBondContact O-N 2.95Å; D165-N167 VanDerWaalsContact O-N 3.09Å; D165-T168 WeakPolarHBondContact O-CB 3.42Å; D165-T168 PolarHBondContact O-N 2.92Å; D165-T168 PolarHBondContact O-OG1 3.48Å
166	F	90	Very high	90.9	Very high	50 Å²	50	79.2 Å²	79.2	22%	0.219	40%	0.399	C	S	.	.	G	3₁₀ helix	trans	-66.4	-15.1	-175.7	-70	-1	0	0	0	114.1	I122 Y123 I126 L161 P163 T168	I122-F166 HydrophobicContact CG2-CD1 4.45Å; I122-F166 PolarHBondContact N-O 3.17Å; I122-F166 VanDerWaalsContact N-O 3.17Å; Y123-F166 PolarHBondContact N-O 3.17Å; I126-F166 HydrophobicContact CD1-CD1 3.81Å; I126-F166 HydrophobicContact CD1-CD2 3.46Å; I126-F166 VanDerWaalsContact CD1-CD2 3.46Å; I126-F166 HydrophobicContact CD1-CE1 3.62Å; I126-F166 HydrophobicContact CD1-CE2 3.26Å; I126-F166 HydrophobicContact CD1-CG 3.73Å; I126-F166 HydrophobicContact CD1-CZ 3.35Å; L161-F166 HydrophobicContact CB-CE1 4.17Å; P163-F166 HydrophobicContact CB-CE2 4.17Å; P163-F166 HydrophobicContact CB-CZ 4.3Å; P163-F166 HydrophobicContact CG-CZ 4.35Å; P163-F166 WeakPolarHBondContact O-CG 3.38Å; P163-F166 PolarHBondContact O-N 2.84Å; F166-T168 VanDerWaalsContact C-N 3.28Å
167	N	92.2	Very high	91.2	Very high	137 Å²	137	70.3 Å²	70.3	73%	0.733	37%	0.366	S	S	*	.	G	3₁₀ helix	trans	-82	-3.9	171.3	-70.9	-35.1	0	0	0	113.5	D165	D165-N167 PolarHBondContact O-N 2.95Å; D165-N167 VanDerWaalsContact O-N 3.09Å
168	T	92.2	Very high	91.3	Very high	35 Å²	35	74.4 Å²	74.4	22%	0.215	39%	0.388	C	S	.	.	S	Bend	trans	-64.9	136.9	177.4	-57.4	0	0	0	0	110.3	P121 I122 D165 F166 K172	P121-T168 WeakPolarHBondContact CA-O 3.49Å; I122-T168 HydrophobicContact CD1-CG2 4.38Å; I122-T168 WeakPolarHBondContact CG1-O 3.33Å; I122-T168 PolarHBondContact N-O 3.48Å; D165-T168 WeakPolarHBondContact O-CB 3.42Å; D165-T168 PolarHBondContact O-N 2.92Å; D165-T168 PolarHBondContact O-OG1 3.48Å; F166-T168 VanDerWaalsContact C-N 3.28Å; T168-K172 HydrophobicContact CG2-CB 3.94Å; T168-K172 HydrophobicContact CG2-CD 3.73Å; T168-K172 HydrophobicContact CG2-CG 4.24Å
169	P	94.6	Very high	91.6	Very high	35 Å²	35	79.2 Å²	79.2	23%	0.227	41%	0.413	C	S	.	.	B	Isolated β-bridge	trans	-61.2	142.1	174.6	-26.5	36.5	0	0	0	113.1	Q120 E171 K172	Q120-P169 WeakPolarHBondContact O-CA 3.49Å; P169-E171 HydrophobicContact CB-CG 3.95Å; P169-E171 PolarHBondContact O-N 3.11Å; P169-K172 PolarHBondContact O-N 2.69Å; P169-K172 VanDerWaalsContact O-N 3.11Å
170	V	94.5	Very high	92	Very high	0 Å²	0	76.8 Å²	76.8	0%	0	40%	0.4	C	S	.	.	G	3₁₀ helix	trans	-55.1	-34.1	178.9	167	0	0	0	0	112.5	V116 P118 Q120 I125 V139 V153 K172 V173 M174	V116-V170 HydrophobicContact CG2-CG1 4.33Å; P118-V170 PolarHBondContact O-N 3.24Å; Q120-V170 WeakPolarHBondContact O-CG2 3.22Å; Q120-V170 PolarHBondContact O-N 2.87Å; I125-V170 HydrophobicContact CD1-CG2 3.96Å; I125-V170 HydrophobicContact CG1-CG2 3.86Å; V139-V170 HydrophobicContact CG1-CG1 4.26Å; V139-V170 HydrophobicContact CG2-CG1 3.73Å; V153-V170 HydrophobicContact CB-CG1 4.3Å; V153-V170 HydrophobicContact CG1-CG1 4.25Å; V170-K172 PolarHBondContact O-N 2.97Å; V170-K172 VanDerWaalsContact O-N 3.09Å; V170-V173 WeakPolarHBondContact O-CG2 3.27Å; V170-V173 PolarHBondContact O-N 2.86Å; V170-V173 VanDerWaalsContact O-N 3.08Å; V170-M174 HydrophobicContact CG1-CB 4.19Å; V170-M174 WeakPolarHBondContact O-CB 3.4Å; V170-M174 PolarHBondContact O-N 3.34Å
171	E	95.3	Very high	92.4	Very high	100 Å²	100	69.9 Å²	69.9	47%	0.467	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-56.8	-25.6	178.9	67.3	-174.3	174.6	0	0	114.5	P118 P169 V173 M174	P118-E171 HydrophobicContact CB-CB 3.8Å; P118-E171 PolarHBondContact O-N 2.87Å; P169-E171 HydrophobicContact CB-CG 3.95Å; P169-E171 PolarHBondContact O-N 3.11Å; E171-V173 VanDerWaalsContact C-N 3.34Å; E171-M174 HydrophobicContact CB-CE 4.17Å
172	K	93.4	Very high	92.8	Very high	155 Å²	155	69.2 Å²	69.2	67%	0.674	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-79.9	-16.2	-179.1	-64.8	-166	-176.5	175.4	0	113.8	T168 P169 V170	T168-K172 HydrophobicContact CG2-CB 3.94Å; T168-K172 HydrophobicContact CG2-CD 3.73Å; T168-K172 HydrophobicContact CG2-CG 4.24Å; P169-K172 PolarHBondContact O-N 2.69Å; P169-K172 VanDerWaalsContact O-N 3.11Å; V170-K172 PolarHBondContact O-N 2.97Å; V170-K172 VanDerWaalsContact O-N 3.09Å
173	V	92.9	Very high	93.2	Very high	35 Å²	35	65.9 Å²	65.9	21%	0.212	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122	-18.6	-175.2	-60.7	0	0	0	0	113.4	I122 V153 V158 L161 V170 E171	I122-V173 HydrophobicContact CD1-CB 4.32Å; I122-V173 HydrophobicContact CD1-CG1 3.7Å; I122-V173 HydrophobicContact CD1-CG2 3.65Å; I122-V173 HydrophobicContact CG1-CG2 3.92Å; V153-V173 HydrophobicContact CG2-CG2 4.41Å; V158-V173 HydrophobicContact CG1-CG2 4.42Å; L161-V173 HydrophobicContact CD1-CG1 4.31Å; V170-V173 WeakPolarHBondContact O-CG2 3.27Å; V170-V173 PolarHBondContact O-N 2.86Å; V170-V173 VanDerWaalsContact O-N 3.08Å; E171-V173 VanDerWaalsContact C-N 3.34Å
174	M	94.9	Very high	93.6	Very high	32 Å²	32	67.9 Å²	67.9	16%	0.158	36%	0.355	C	S	.	.	S	Bend	trans	-65.5	153	-179.6	72.2	-179.9	-175.1	0	0	112.1	V139 V150 V153 V170 E171	V139-M174 HydrophobicContact CB-SD 3.86Å; V139-M174 HydrophobicContact CG1-SD 3.75Å; V139-M174 HydrophobicContact CG2-CB 4.23Å; V139-M174 HydrophobicContact CG2-SD 3.91Å; V150-M174 HydrophobicContact CB-CE 4.47Å; V150-M174 HydrophobicContact CG2-CE 4.22Å; V150-M174 HydrophobicContact CG2-SD 4.43Å; V153-M174 HydrophobicContact CB-CB 4.37Å; V170-M174 HydrophobicContact CG1-CB 4.19Å; V170-M174 WeakPolarHBondContact O-CB 3.4Å; V170-M174 PolarHBondContact O-N 3.34Å; E171-M174 HydrophobicContact CB-CE 4.17Å
175	T	95.7	Very high	93.7	Very high	41 Å²	41	64.3 Å²	64.3	25%	0.252	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	122	163.4	-57	0	0	0	0	108.5	G151 L152 D179 L180	G151-T175 CarbonylContact C-O 3.58Å; G151-T175 WeakPolarHBondContact CA-O 3.33Å; L152-T175 PolarHBondContact N-O 2.94Å; L152-T175 PolarHBondContact O-N 2.89Å; T175-D179 HydrophobicContact CG2-CB 3.7Å; T175-L180 HydrophobicContact CG2-CD2 3.57Å; T175-L180 HydrophobicContact CG2-CG 4.46Å
176	P	96.2	Very high	93.7	Very high	58 Å²	58	64.6 Å²	64.6	38%	0.377	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	156.4	-178.7	30.2	-35.3	0	0	0	111.3	D178 D179	P176-D178 VanDerWaalsContact C-N 3.26Å; P176-D178 PolarHBondContact O-N 3.06Å; P176-D178 VanDerWaalsContact O-N 3.16Å; P176-D179 HydrophobicContact CG-CB 4.35Å; P176-D179 WeakPolarHBondContact CG-OD2 3.42Å; P176-D179 PolarHBondContact O-N 3.29Å
177	F	95.4	Very high	93.7	Very high	33 Å²	33	63.8 Å²	63.8	15%	0.145	36%	0.36	C	S	.	.	G	3₁₀ helix	trans	-50.2	-42.1	-175.8	-179.8	-90.9	0	0	0	114.1	L149 V150 D179 L180 T182 I207 R211	L149-F177 HydrophobicContact CB-CD2 4.29Å; L149-F177 HydrophobicContact CB-CE2 4.4Å; L149-F177 HydrophobicContact CD2-CD2 4.12Å; L149-F177 HydrophobicContact CD2-CE2 4.14Å; L149-F177 HydrophobicContact CG-CD2 4.17Å; L149-F177 WeakPolarHBondContact O-CD2 3.47Å; V150-F177 WeakPolarHBondContact O-CB 3.31Å; V150-F177 PolarHBondContact O-N 3.45Å; F177-D179 PolarHBondContact O-N 3.16Å; F177-L180 WeakPolarHBondContact O-CB 3.04Å; F177-L180 PolarHBondContact O-N 2.88Å; F177-T182 HydrophobicContact CE2-CG2 4.28Å; F177-I207 HydrophobicContact CE2-CD1 3.95Å; F177-I207 HydrophobicContact CZ-CD1 3.77Å; F177-R211 HydrophobicContact CE2-CB 4.45Å; F177-R211 HydrophobicContact CZ-CB 4.42Å; F177-R211 HydrophobicContact CZ-CG 4.06Å
178	D	94	Very high	93.5	Very high	136 Å²	136	60.6 Å²	60.6	73%	0.727	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-66.1	-19.8	-175.2	-62.8	-30.2	0	0	0	113	P176	P176-D178 VanDerWaalsContact C-N 3.26Å; P176-D178 PolarHBondContact O-N 3.06Å; P176-D178 VanDerWaalsContact O-N 3.16Å
179	D	93.7	Very high	93.1	Very high	109 Å²	109	61.2 Å²	61.2	58%	0.583	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-96	-2	175.5	-67	-33.5	0	0	0	113	T175 P176 F177	T175-D179 HydrophobicContact CG2-CB 3.7Å; P176-D179 HydrophobicContact CG-CB 4.35Å; P176-D179 WeakPolarHBondContact CG-OD2 3.42Å; P176-D179 PolarHBondContact O-N 3.29Å; F177-D179 PolarHBondContact O-N 3.16Å
180	L	94.5	Very high	92.8	Very high	27 Å²	27	63 Å²	63	14%	0.141	36%	0.361	C	S	.	.			trans	-85.1	137.3	178.7	-59.5	-176.1	0	0	0	111.4	L149 L152 T175 F177 T182	L149-L180 HydrophobicContact CD2-CD1 4.18Å; L152-L180 HydrophobicContact CB-CD1 4.05Å; L152-L180 HydrophobicContact CB-CD2 3.69Å; T175-L180 HydrophobicContact CG2-CD2 3.57Å; T175-L180 HydrophobicContact CG2-CG 4.46Å; F177-L180 WeakPolarHBondContact O-CB 3.04Å; F177-L180 PolarHBondContact O-N 2.88Å; L180-T182 HydrophobicContact CB-CG2 4.09Å
181	V	94	Very high	92.6	Very high	52 Å²	52	68.2 Å²	68.2	32%	0.315	39%	0.385	S	S	.	.			trans	-83	123	160.3	-176.7	0	0	0	0	107.5	L195 L204	V181-L195 HydrophobicContact CG1-CD1 4.13Å; V181-L195 HydrophobicContact CG1-CD2 4.1Å; V181-L195 HydrophobicContact CG1-CG 3.96Å; V181-L204 HydrophobicContact CG1-CD1 4.01Å; V181-L204 WeakPolarHBondContact O-CD1 3.45Å
182	T	95.8	Very high	92.3	Very high	36 Å²	36	63.4 Å²	63.4	22%	0.221	36%	0.363	C	S	.	.			trans	-126.4	164.9	178	60.7	0	0	0	0	110.4	L149 F177 L180 L195 P205 I207	L149-T182 HydrophobicContact CD2-CG2 4.18Å; F177-T182 HydrophobicContact CE2-CG2 4.28Å; L180-T182 HydrophobicContact CB-CG2 4.09Å; T182-L195 WeakPolarHBondContact O-CD2 3.29Å; T182-P205 WeakPolarHBondContact CA-O 3.46Å; T182-P205 HydrophobicContact CG2-CB 4.26Å; T182-P205 HydrophobicContact CG2-CG 4.47Å; T182-I207 HydrophobicContact CG2-CD1 4.43Å
183	A	95.5	Very high	92.1	Very high	9 Å²	9	57 Å²	57	7%	0.074	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	151.3	169.1	0	0	0	0	0	110.6	V187 L195 L204 P205 I206 I207	A183-V187 HydrophobicContact CB-CB 4.49Å; A183-V187 HydrophobicContact CB-CG1 4.04Å; A183-L195 HydrophobicContact CB-CD2 3.88Å; A183-L204 HydrophobicContact CB-CD2 4.28Å; A183-P205 PolarHBondContact N-O 3.29Å; A183-I206 HydrophobicContact CB-CD1 3.81Å; A183-I206 CarbonylContact O-C 3.56Å; A183-I206 VanDerWaalsContact O-CA 3.29Å; A183-I206 WeakPolarHBondContact O-CA 3.16Å; A183-I207 PolarHBondContact O-N 2.8Å
184	F	95.1	Very high	92	Very high	136 Å²	136	58.3 Å²	58.3	60%	0.596	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.9	150.6	176.7	-72.8	-75.7	0	0	0	112.2	V187 I207	F184-V187 WeakPolarHBondContact O-CB 3.41Å; F184-V187 WeakPolarHBondContact O-CG1 3.33Å; F184-V187 PolarHBondContact O-N 2.86Å; F184-I207 CarbonylContact C-O 3.6Å; F184-I207 VanDerWaalsContact CA-O 3.25Å; F184-I207 WeakPolarHBondContact CA-O 3.31Å; F184-I207 HydrophobicContact CD1-CG1 4.44Å
185	S	90.1	Very high	92	Very high	60 Å²	60	59.6 Å²	59.6	42%	0.42	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	137.7	171.3	57.1	0	0	0	0	110.8	I207	S185-I207 PolarHBondContact N-O 3.28Å
186	G	88.1	Confident	91.8	Very high	80 Å²	80	57.7 Å²	57.7	83%	0.825	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.1	-9.9	-174.1	0	0	0	0	0	114.1
187	V	90.5	Very high	91.5	Very high	33 Å²	33	61 Å²	61	20%	0.2	34%	0.342	C	S	.	.			trans	-60.4	137.5	170.9	69	0	0	0	0	111	F109 A183 F184 E191 A192 I206	F109-V187 HydrophobicContact CE1-CG1 4.22Å; F109-V187 HydrophobicContact CZ-CG1 4.31Å; F109-V187 WeakPolarHBondContact CZ-O 3.3Å; A183-V187 HydrophobicContact CB-CB 4.49Å; A183-V187 HydrophobicContact CB-CG1 4.04Å; F184-V187 WeakPolarHBondContact O-CB 3.41Å; F184-V187 WeakPolarHBondContact O-CG1 3.33Å; F184-V187 PolarHBondContact O-N 2.86Å; V187-E191 HydrophobicContact CG2-CB 3.51Å; V187-A192 HydrophobicContact CG1-CB 3.94Å; V187-A192 HydrophobicContact CG2-CB 3.97Å; V187-I206 HydrophobicContact CG1-CD1 4.06Å; V187-I206 HydrophobicContact CG1-CG2 4.49Å
188	T	87.4	Confident	91.4	Very high	71 Å²	71	67.5 Å²	67.5	44%	0.436	37%	0.37	S	S	.	.			trans	-73.2	155.8	173.7	66.3	0	0	0	0	110.7	S190 E191 A192	T188-S190 PolarHBondContact O-N 2.97Å; T188-E191 WeakPolarHBondContact CB-OE2 3.47Å; T188-E191 WeakPolarHBondContact CG2-OE2 3.13Å; T188-E191 PolarHBondContact N-OE2 3.5Å; T188-E191 PolarHBondContact O-N 2.97Å; T188-E191 WeakPolarHBondContact OG1-CB 3.3Å; T188-E191 WeakPolarHBondContact OG1-CG 3.43Å; T188-E191 PolarHBondContact OG1-N 3.29Å; T188-E191 PolarHBondContact OG1-OE2 3.33Å; T188-A192 WeakPolarHBondContact O-CB 3.39Å; T188-A192 PolarHBondContact O-N 3.45Å
189	L	84.5	Confident	91.4	Very high	47 Å²	47	62.4 Å²	62.4	25%	0.246	35%	0.345	C	S	.	.	H	α-helix	trans	-57.7	-34	175.9	-175	59.8	0	0	0	111.7	F109 N193 I217 N237	F109-L189 HydrophobicContact CD2-CD1 4.17Å; F109-L189 HydrophobicContact CE2-CB 3.77Å; F109-L189 HydrophobicContact CE2-CD1 3.96Å; F109-L189 HydrophobicContact CE2-CG 4.44Å; F109-L189 HydrophobicContact CZ-CB 4.4Å; F109-L189 HydrophobicContact CZ-CD1 4.44Å; L189-N193 WeakPolarHBondContact O-CB 3.41Å; L189-N193 PolarHBondContact O-N 3.37Å; L189-N193 PolarHBondContact O-ND2 2.94Å; L189-I217 HydrophobicContact CD1-CD1 4.24Å; L189-N237 HydrophobicContact CD2-CB 4.28Å
190	S	86.4	Confident	91.3	Very high	74 Å²	74	65.2 Å²	65.2	52%	0.517	35%	0.352	S	S	.	.	H	α-helix	trans	-65.5	-49.8	177.8	-169.3	0	0	0	0	111.9	T188 A192 N193 D194	T188-S190 PolarHBondContact O-N 2.97Å; S190-A192 PolarHBondContact O-N 2.89Å; S190-N193 WeakPolarHBondContact O-CB 3.25Å; S190-N193 PolarHBondContact O-N 3.04Å; S190-D194 PolarHBondContact O-N 3.16Å
191	E	90.4	Very high	91.2	Very high	108 Å²	108	69.2 Å²	69.2	51%	0.505	37%	0.369	S	S	.	.	H	α-helix	trans	-63.7	-42.2	179	-70.8	161.7	150.6	0	0	111.7	V187 T188 N193 D194 L195	V187-E191 HydrophobicContact CG2-CB 3.51Å; T188-E191 WeakPolarHBondContact CB-OE2 3.47Å; T188-E191 WeakPolarHBondContact CG2-OE2 3.13Å; T188-E191 PolarHBondContact N-OE2 3.5Å; T188-E191 PolarHBondContact O-N 2.97Å; T188-E191 WeakPolarHBondContact OG1-CB 3.3Å; T188-E191 WeakPolarHBondContact OG1-CG 3.43Å; T188-E191 PolarHBondContact OG1-N 3.29Å; T188-E191 PolarHBondContact OG1-OE2 3.33Å; E191-N193 VanDerWaalsContact C-N 3.31Å; E191-N193 PolarHBondContact O-N 3.08Å; E191-D194 WeakPolarHBondContact O-CB 3.33Å; E191-D194 PolarHBondContact O-N 2.94Å; E191-D194 VanDerWaalsContact O-N 3.16Å; E191-L195 PolarHBondContact O-N 3.47Å
192	A	90.7	Very high	91.1	Very high	0 Å²	0	68.9 Å²	68.9	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-66.4	-37.1	178.7	0	0	0	0	0	111.4	F109 V187 T188 S190 L195 L196 L204 I217	F109-A192 HydrophobicContact CZ-CB 4.48Å; V187-A192 HydrophobicContact CG1-CB 3.94Å; V187-A192 HydrophobicContact CG2-CB 3.97Å; T188-A192 WeakPolarHBondContact O-CB 3.39Å; T188-A192 PolarHBondContact O-N 3.45Å; S190-A192 PolarHBondContact O-N 2.89Å; A192-L195 PolarHBondContact O-N 3.05Å; A192-L196 WeakPolarHBondContact O-CB 3.25Å; A192-L196 PolarHBondContact O-N 3.49Å; A192-L204 HydrophobicContact CB-CD2 4.03Å; A192-L204 VanDerWaalsContact O-CD2 3.28Å; A192-L204 WeakPolarHBondContact O-CD2 3.43Å; A192-I217 HydrophobicContact CB-CD1 3.25Å
193	N	88.5	Confident	91	Very high	21 Å²	21	69 Å²	69	11%	0.112	37%	0.374	C	S	.	.	H	α-helix	trans	-63.7	-39.1	171.2	-77.8	-28.4	0	0	0	112.6	L189 S190 E191 L196 R197 L222	L189-N193 WeakPolarHBondContact O-CB 3.41Å; L189-N193 PolarHBondContact O-N 3.37Å; L189-N193 PolarHBondContact O-ND2 2.94Å; S190-N193 WeakPolarHBondContact O-CB 3.25Å; S190-N193 PolarHBondContact O-N 3.04Å; E191-N193 VanDerWaalsContact C-N 3.31Å; E191-N193 PolarHBondContact O-N 3.08Å; N193-L196 PolarHBondContact O-N 3.21Å; N193-R197 WeakPolarHBondContact O-CB 3.41Å; N193-R197 WeakPolarHBondContact O-CG 3.43Å; N193-R197 PolarHBondContact O-N 2.88Å; N193-L222 HydrophobicContact CB-CD1 4.15Å; N193-L222 HydrophobicContact CB-CD2 3.79Å; N193-L222 HydrophobicContact CB-CG 4.41Å; N193-L222 WeakPolarHBondContact ND2-CD2 3.45Å; N193-L222 WeakPolarHBondContact OD1-CD2 3.46Å; N193-L222 WeakPolarHBondContact OD1-CG 3.32Å
194	D	91.6	Very high	90.9	Very high	61 Å²	61	68.6 Å²	68.6	33%	0.326	37%	0.37	S	S	.	.	H	α-helix	trans	-63.3	-43.4	173.7	-84.1	-44.4	0	0	0	112.4	S190 E191 R197 K198	S190-D194 PolarHBondContact O-N 3.16Å; E191-D194 WeakPolarHBondContact O-CB 3.33Å; E191-D194 PolarHBondContact O-N 2.94Å; E191-D194 VanDerWaalsContact O-N 3.16Å; D194-R197 WeakPolarHBondContact O-CB 3.42Å; D194-R197 PolarHBondContact O-N 3.26Å; D194-R197 IonicContact OD1-CZ 3.83Å; D194-R197 VanDerWaalsContact OD1-CZ 3.31Å; D194-R197 IonicContact OD1-NE 3.83Å; D194-R197 PolarHBondContact OD1-NE 2.97Å; D194-R197 IonicContact OD1-NH2 2.95Å; D194-R197 PolarHBondContact OD1-NH2 2.93Å; D194-R197 IonicContact OD2-NH2 2.96Å; D194-K198 WeakPolarHBondContact O-CB 3.3Å; D194-K198 WeakPolarHBondContact O-CG 3.43Å; D194-K198 PolarHBondContact O-N 3.5Å
195	L	93.5	Very high	91	Very high	59 Å²	59	62.1 Å²	62.1	31%	0.309	34%	0.342	S	S	.	.	H	α-helix	trans	-64.2	-42.4	176.9	-173	65.4	0	0	0	111.6	V181 T182 A183 E191 A192 R197 K198 S199 L204	V181-L195 HydrophobicContact CG1-CD1 4.13Å; V181-L195 HydrophobicContact CG1-CD2 4.1Å; V181-L195 HydrophobicContact CG1-CG 3.96Å; T182-L195 WeakPolarHBondContact O-CD2 3.29Å; A183-L195 HydrophobicContact CB-CD2 3.88Å; E191-L195 PolarHBondContact O-N 3.47Å; A192-L195 PolarHBondContact O-N 3.05Å; L195-R197 PolarHBondContact O-N 2.92Å; L195-K198 PolarHBondContact O-N 2.93Å; L195-S199 WeakPolarHBondContact O-CB 3.4Å; L195-S199 PolarHBondContact O-N 3.3Å; L195-S199 PolarHBondContact O-OG 2.86Å; L195-S199 VanDerWaalsContact O-OG 3.05Å; L195-L204 HydrophobicContact CB-CD2 4.25Å; L195-L204 HydrophobicContact CD2-CD1 3.77Å; L195-L204 HydrophobicContact CD2-CD2 4.09Å; L195-L204 HydrophobicContact CG-CD1 4.24Å; L195-L204 HydrophobicContact CG-CD2 4.44Å
196	L	91.9	Very high	91.2	Very high	1 Å²	1	59.5 Å²	59.5	1%	0.005	32%	0.323	C	S	.	.	H	α-helix	trans	-64.1	-39.1	175.4	-175.9	61.8	0	0	0	111.9	A192 N193 S199 K200 K201 L204 I217 R219 L222	A192-L196 WeakPolarHBondContact O-CB 3.25Å; A192-L196 PolarHBondContact O-N 3.49Å; N193-L196 PolarHBondContact O-N 3.21Å; L196-S199 WeakPolarHBondContact CA-OG 3.4Å; L196-S199 PolarHBondContact O-OG 3.37Å; L196-S199 VanDerWaalsContact O-OG 3.08Å; L196-K200 PolarHBondContact O-N 2.66Å; L196-K201 WeakPolarHBondContact CD1-O 3.44Å; L196-L204 HydrophobicContact CB-CB 4.39Å; L196-L204 HydrophobicContact CB-CD2 4.35Å; L196-L204 HydrophobicContact CD1-CB 3.97Å; L196-I217 HydrophobicContact CD2-CG2 3.77Å; L196-R219 HydrophobicContact CD2-CB 4.09Å; L196-R219 HydrophobicContact CG-CB 4.38Å; L196-L222 HydrophobicContact CD2-CD1 3.94Å; L196-L222 HydrophobicContact CG-CD1 4.39Å
197	R	90.6	Very high	91.6	Very high	129 Å²	129	55.9 Å²	55.9	49%	0.487	29%	0.285	S	S	.	.	H	α-helix	trans	-61.3	-47.9	172.8	-79.5	-173.4	-73.4	-98.1	9.1	111.9	N193 D194 L195 K200 L222	N193-R197 WeakPolarHBondContact O-CB 3.41Å; N193-R197 WeakPolarHBondContact O-CG 3.43Å; N193-R197 PolarHBondContact O-N 2.88Å; D194-R197 WeakPolarHBondContact O-CB 3.42Å; D194-R197 PolarHBondContact O-N 3.26Å; D194-R197 IonicContact OD1-CZ 3.83Å; D194-R197 VanDerWaalsContact OD1-CZ 3.31Å; D194-R197 IonicContact OD1-NE 3.83Å; D194-R197 PolarHBondContact OD1-NE 2.97Å; D194-R197 IonicContact OD1-NH2 2.95Å; D194-R197 PolarHBondContact OD1-NH2 2.93Å; D194-R197 IonicContact OD2-NH2 2.96Å; L195-R197 PolarHBondContact O-N 2.92Å; R197-K200 PolarHBondContact O-N 2.94Å; R197-L222 HydrophobicContact CG-CD1 4.33Å
198	K	93.6	Very high	91.8	Very high	168 Å²	168	55.9 Å²	55.9	73%	0.73	28%	0.284	S	S	*	.	H	α-helix	trans	-65.6	-43.9	-178.8	-73.3	173.1	-177.4	176	0	112.3	D194 L195 K200	D194-K198 WeakPolarHBondContact O-CB 3.3Å; D194-K198 WeakPolarHBondContact O-CG 3.43Å; D194-K198 PolarHBondContact O-N 3.5Å; L195-K198 PolarHBondContact O-N 2.93Å; K198-K200 PolarHBondContact O-N 2.53Å
199	S	93.1	Very high	92.1	Very high	29 Å²	29	61 Å²	61	20%	0.203	30%	0.302	C	S	.	.	H	α-helix	trans	-69.2	-20.4	-179.9	64.9	0	0	0	0	113.6	L195 L196 K201	L195-S199 WeakPolarHBondContact O-CB 3.4Å; L195-S199 PolarHBondContact O-N 3.3Å; L195-S199 PolarHBondContact O-OG 2.86Å; L195-S199 VanDerWaalsContact O-OG 3.05Å; L196-S199 WeakPolarHBondContact CA-OG 3.4Å; L196-S199 PolarHBondContact O-OG 3.37Å; L196-S199 VanDerWaalsContact O-OG 3.08Å; S199-K201 PolarHBondContact O-N 2.77Å; S199-K201 PolarHBondContact OG-N 2.88Å
200	K	91.5	Very high	92.5	Very high	168 Å²	168	63.9 Å²	63.9	73%	0.73	32%	0.318	S	S	*	.			trans	56.6	16.4	-175	-57.6	178.9	-178.2	176.8	0	113.7	L196 R197 K198 R219	L196-K200 PolarHBondContact O-N 2.66Å; R197-K200 PolarHBondContact O-N 2.94Å; K198-K200 PolarHBondContact O-N 2.53Å; K200-R219 PolarHBondContact O-NH1 2.86Å
201	K	92.3	Very high	92.9	Very high	111 Å²	111	65.1 Å²	65.1	48%	0.483	31%	0.311	S	S	.	.			trans	-81	164.9	177.3	-60.2	-63.6	-177.2	164.8	0	110.9	L196 S199 R219	L196-K201 WeakPolarHBondContact CD1-O 3.44Å; S199-K201 PolarHBondContact O-N 2.77Å; S199-K201 PolarHBondContact OG-N 2.88Å; K201-R219 WeakPolarHBondContact O-CD 3.05Å
202	G	91.5	Very high	93.2	Very high	46 Å²	46	63.1 Å²	63.1	47%	0.474	30%	0.302	S	S	.	.	S	Bend	trans	-83.7	-24.1	-179.9	0	0	0	0	0	113.9	R219	G202-R219 WeakPolarHBondContact O-CB 3.36Å; G202-R219 PolarHBondContact O-N 2.81Å
203	K	93.4	Very high	93.4	Very high	38 Å²	38	63.2 Å²	63.2	17%	0.165	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	151.9	-175.3	-60.5	-65.5	-170.1	165.7	0	109.7	L152 L216 I217 A218	L152-K203 HydrophobicContact CD1-CB 4.5Å; L152-K203 HydrophobicContact CD2-CB 4.09Å; K203-L216 HydrophobicContact CB-CD1 4.05Å; K203-L216 HydrophobicContact CD-CD2 4.15Å; K203-L216 HydrophobicContact CD-CG 4.43Å; K203-I217 CarbonylContact C-O 3.6Å; K203-I217 VanDerWaalsContact CA-O 3.25Å; K203-I217 WeakPolarHBondContact CA-O 3.07Å; K203-A218 HydrophobicContact CD-CB 3.72Å; K203-A218 VanDerWaalsContact NZ-CB 3.34Å
204	L	94.9	Very high	93.6	Very high	0 Å²	0	65.2 Å²	65.2	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	105.1	174.6	177	71.5	0	0	0	108.9	V181 A183 A192 L195 L196 I206 I217	V181-L204 HydrophobicContact CG1-CD1 4.01Å; V181-L204 WeakPolarHBondContact O-CD1 3.45Å; A183-L204 HydrophobicContact CB-CD2 4.28Å; A192-L204 HydrophobicContact CB-CD2 4.03Å; A192-L204 VanDerWaalsContact O-CD2 3.28Å; A192-L204 WeakPolarHBondContact O-CD2 3.43Å; L195-L204 HydrophobicContact CB-CD2 4.25Å; L195-L204 HydrophobicContact CD2-CD1 3.77Å; L195-L204 HydrophobicContact CD2-CD2 4.09Å; L195-L204 HydrophobicContact CG-CD1 4.24Å; L195-L204 HydrophobicContact CG-CD2 4.44Å; L196-L204 HydrophobicContact CB-CB 4.39Å; L196-L204 HydrophobicContact CB-CD2 4.35Å; L196-L204 HydrophobicContact CD1-CB 3.97Å; L204-I206 HydrophobicContact CD2-CD1 4.3Å; L204-I206 HydrophobicContact CG-CD1 4.31Å; L204-I217 HydrophobicContact CB-CB 4.35Å; L204-I217 PolarHBondContact N-O 2.98Å; L204-I217 PolarHBondContact O-N 3.23Å
205	P	96.2	Very high	93.6	Very high	1 Å²	1	62.4 Å²	62.4	1%	0.006	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	140.2	172.3	-19.3	33.2	0	0	0	111.7	L149 T182 A183 L213 L216	L149-P205 HydrophobicContact CD2-CB 3.53Å; L149-P205 HydrophobicContact CD2-CG 3.99Å; T182-P205 WeakPolarHBondContact CA-O 3.46Å; T182-P205 HydrophobicContact CG2-CB 4.26Å; T182-P205 HydrophobicContact CG2-CG 4.47Å; A183-P205 PolarHBondContact N-O 3.29Å; P205-L213 HydrophobicContact CB-CD1 3.91Å; P205-L216 HydrophobicContact CB-CD1 4.37Å; P205-L216 HydrophobicContact CG-CD1 4.11Å
206	I	95.3	Very high	93.6	Very high	5 Å²	5	59.7 Å²	59.7	3%	0.026	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	123.4	174.7	-47.3	-59.5	0	0	0	108.1	F109 A183 V187 L204 V214 A215 I217	F109-I206 HydrophobicContact CD1-CG1 4.05Å; F109-I206 HydrophobicContact CE1-CD1 4.13Å; F109-I206 HydrophobicContact CE1-CG1 3.98Å; A183-I206 HydrophobicContact CB-CD1 3.81Å; A183-I206 CarbonylContact O-C 3.56Å; A183-I206 VanDerWaalsContact O-CA 3.29Å; A183-I206 WeakPolarHBondContact O-CA 3.16Å; V187-I206 HydrophobicContact CG1-CD1 4.06Å; V187-I206 HydrophobicContact CG1-CG2 4.49Å; L204-I206 HydrophobicContact CD2-CD1 4.3Å; L204-I206 HydrophobicContact CG-CD1 4.31Å; I206-V214 PolarHBondContact O-N 3.02Å; I206-A215 HydrophobicContact CB-CB 4Å; I206-A215 HydrophobicContact CG1-CB 4Å; I206-A215 PolarHBondContact N-O 3.49Å; I206-A215 PolarHBondContact O-N 2.66Å; I206-I217 HydrophobicContact CD1-CD1 4.09Å; I206-I217 HydrophobicContact CD1-CG1 4.43Å
207	I	96.2	Very high	93.5	Very high	4 Å²	4	59.8 Å²	59.8	2%	0.021	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	154.6	-174.6	61.3	175.5	0	0	0	111.7	L149 F177 T182 A183 F184 S185 E212	L149-I207 HydrophobicContact CB-CG2 4.22Å; L149-I207 HydrophobicContact CD2-CG2 3.81Å; F177-I207 HydrophobicContact CE2-CD1 3.95Å; F177-I207 HydrophobicContact CZ-CD1 3.77Å; T182-I207 HydrophobicContact CG2-CD1 4.43Å; A183-I207 PolarHBondContact O-N 2.8Å; F184-I207 CarbonylContact C-O 3.6Å; F184-I207 VanDerWaalsContact CA-O 3.25Å; F184-I207 WeakPolarHBondContact CA-O 3.31Å; F184-I207 HydrophobicContact CD1-CG1 4.44Å; S185-I207 PolarHBondContact N-O 3.28Å; I207-E212 CarbonylContact C-O 3.58Å; I207-E212 WeakPolarHBondContact CA-O 3.19Å
208	N	94.5	Very high	93.5	Very high	33 Å²	33	53.7 Å²	53.7	18%	0.176	26%	0.264	C	S	.	.			trans	-88.1	-173.9	167.9	70.2	9.6	0	0	0	111.6	N210 R211 E212 V214	N208-N210 PolarHBondContact O-N 3.05Å; N208-N210 WeakPolarHBondContact OD1-CA 3.2Å; N208-N210 WeakPolarHBondContact OD1-CB 3.46Å; N208-N210 PolarHBondContact OD1-N 3.22Å; N208-R211 PolarHBondContact O-N 3.34Å; N208-R211 PolarHBondContact OD1-N 3.1Å; N208-E212 PolarHBondContact N-O 2.79Å; N208-E212 VanDerWaalsContact N-O 3.08Å; N208-E212 PolarHBondContact ND2-OE2 3.33Å; N208-E212 WeakPolarHBondContact OD1-CB 3.39Å; N208-E212 PolarHBondContact OD1-N 3.22Å; N208-V214 HydrophobicContact CB-CG2 4.08Å
209	E	93.6	Very high	93.3	Very high	177 Å²	177	52.2 Å²	52.2	83%	0.827	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-28.6	179.5	-59.9	-179.4	179.4	0	0	113.3	R211	E209-R211 VanDerWaalsContact C-N 3.26Å; E209-R211 PolarHBondContact O-N 2.91Å
210	N	93.5	Very high	93	Very high	108 Å²	108	54.8 Å²	54.8	58%	0.578	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	5.9	178	-63.1	-27.7	0	0	0	113.4	N208 E212	N208-N210 PolarHBondContact O-N 3.05Å; N208-N210 WeakPolarHBondContact OD1-CA 3.2Å; N208-N210 WeakPolarHBondContact OD1-CB 3.46Å; N208-N210 PolarHBondContact OD1-N 3.22Å; N210-E212 HydrophobicContact CB-CG 3.97Å; N210-E212 PolarHBondContact O-N 2.85Å
211	R	94.3	Very high	92.7	Very high	100 Å²	100	47.4 Å²	47.4	38%	0.377	24%	0.237	S	C	.	.			trans	62.7	22.6	-171.5	-51.8	-178.3	-176.9	-165	2	114.1	R148 L149 F177 N208 E209	R148-R211 WeakPolarHBondContact CA-O 3.39Å; R148-R211 HydrophobicContact CG-CB 4.17Å; L149-R211 PolarHBondContact N-O 3.16Å; F177-R211 HydrophobicContact CE2-CB 4.45Å; F177-R211 HydrophobicContact CZ-CB 4.42Å; F177-R211 HydrophobicContact CZ-CG 4.06Å; N208-R211 PolarHBondContact O-N 3.34Å; N208-R211 PolarHBondContact OD1-N 3.1Å; E209-R211 VanDerWaalsContact C-N 3.26Å; E209-R211 PolarHBondContact O-N 2.91Å
212	E	95.7	Very high	92.3	Very high	67 Å²	67	43.5 Å²	43.5	31%	0.313	22%	0.222	S	C	.	.	B	Isolated β-bridge	trans	-80.1	137.4	175.7	-62.6	164	173	0	0	110.1	G146 S147 I207 N208 N210 V214	G146-E212 WeakPolarHBondContact O-CB 3.25Å; G146-E212 WeakPolarHBondContact O-CG 3.3Å; S147-E212 WeakPolarHBondContact O-CA 3.39Å; I207-E212 CarbonylContact C-O 3.58Å; I207-E212 WeakPolarHBondContact CA-O 3.19Å; N208-E212 PolarHBondContact N-O 2.79Å; N208-E212 VanDerWaalsContact N-O 3.08Å; N208-E212 PolarHBondContact ND2-OE2 3.33Å; N208-E212 WeakPolarHBondContact OD1-CB 3.39Å; N208-E212 PolarHBondContact OD1-N 3.22Å; N210-E212 HydrophobicContact CB-CG 3.97Å; N210-E212 PolarHBondContact O-N 2.85Å; E212-V214 PolarHBondContact O-N 2.97Å
213	L	95.8	Very high	92.1	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.005	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	117.8	-178.8	-178.1	68.6	0	0	0	111.2	P113 V115 P138 T140 M145 G146 S147 L149 P205 A215	P113-L213 HydrophobicContact CG-CD2 4.13Å; V115-L213 HydrophobicContact CG1-CD2 3.62Å; P138-L213 HydrophobicContact CB-CD2 3.55Å; P138-L213 HydrophobicContact CG-CD2 3.88Å; T140-L213 HydrophobicContact CG2-CB 4.2Å; T140-L213 HydrophobicContact CG2-CD2 4.2Å; M145-L213 HydrophobicContact CE-CD2 4.23Å; M145-L213 HydrophobicContact CE-CG 4.1Å; M145-L213 WeakPolarHBondContact CE-O 3.5Å; M145-L213 HydrophobicContact SD-CD2 3.63Å; M145-L213 HydrophobicContact SD-CG 4.16Å; G146-L213 PolarHBondContact N-O 3.16Å; S147-L213 PolarHBondContact O-N 3.03Å; L149-L213 HydrophobicContact CD1-CD1 4.34Å; L149-L213 HydrophobicContact CD1-CD2 4.47Å; P205-L213 HydrophobicContact CB-CD1 3.91Å; L213-A215 WeakPolarHBondContact CD1-O 3.24Å
214	V	93.2	Very high	91.7	Very high	63 Å²	63	47.6 Å²	47.6	38%	0.382	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	-42.2	179.6	-178.4	0	0	0	0	111.5	I206 N208 E212	I206-V214 PolarHBondContact O-N 3.02Å; N208-V214 HydrophobicContact CB-CG2 4.08Å; E212-V214 PolarHBondContact O-N 2.97Å
215	A	91.9	Very high	91.2	Very high	3 Å²	3	49.3 Å²	49.3	3%	0.025	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	172.6	-178.7	0	0	0	0	0	112.2	F109 I110 L111 I206 L213	F109-A215 HydrophobicContact CB-CB 4.3Å; F109-A215 HydrophobicContact CD1-CB 4.13Å; I110-A215 CarbonylContact O-C 3.6Å; I110-A215 WeakPolarHBondContact O-CA 3.3Å; I110-A215 WeakPolarHBondContact O-CB 3.25Å; L111-A215 HydrophobicContact CD2-CB 4.26Å; I206-A215 HydrophobicContact CB-CB 4Å; I206-A215 HydrophobicContact CG1-CB 4Å; I206-A215 PolarHBondContact N-O 3.49Å; I206-A215 PolarHBondContact O-N 2.66Å; L213-A215 WeakPolarHBondContact CD1-O 3.24Å
216	L	92.5	Very high	90.7	Very high	2 Å²	2	56.7 Å²	56.7	1%	0.01	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	140.1	174	-174.7	71.2	0	0	0	110.1	I110 P113 P138 K203 P205	I110-L216 WeakPolarHBondContact CA-O 3.45Å; I110-L216 HydrophobicContact CB-CB 4.16Å; I110-L216 WeakPolarHBondContact CB-O 3.44Å; I110-L216 HydrophobicContact CD1-CB 4.38Å; I110-L216 HydrophobicContact CD1-CD2 4.3Å; I110-L216 HydrophobicContact CD1-CG 4.42Å; I110-L216 VanDerWaalsContact CG1-O 3.31Å; I110-L216 WeakPolarHBondContact CG1-O 3.16Å; I110-L216 PolarHBondContact N-O 2.96Å; I110-L216 PolarHBondContact O-N 2.83Å; P113-L216 HydrophobicContact CB-CB 4.09Å; P113-L216 HydrophobicContact CB-CD2 3.97Å; P113-L216 HydrophobicContact CG-CB 4Å; P138-L216 HydrophobicContact CG-CD1 4Å; P138-L216 HydrophobicContact CG-CD2 3.95Å; P138-L216 HydrophobicContact CG-CG 4.46Å; K203-L216 HydrophobicContact CB-CD1 4.05Å; K203-L216 HydrophobicContact CD-CD2 4.15Å; K203-L216 HydrophobicContact CD-CG 4.43Å; P205-L216 HydrophobicContact CB-CD1 4.37Å; P205-L216 HydrophobicContact CG-CD1 4.11Å
217	I	90.7	Very high	90.4	Very high	2 Å²	2	60.9 Å²	60.9	1%	0.01	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	142.9	169.3	-62.6	175.7	0	0	0	109.1	F109 L189 A192 L196 K203 L204 I206	F109-I217 HydrophobicContact CD1-CD1 3.84Å; F109-I217 HydrophobicContact CD1-CG1 3.86Å; F109-I217 HydrophobicContact CE1-CD1 3.56Å; F109-I217 HydrophobicContact CE1-CG1 4.12Å; F109-I217 HydrophobicContact CZ-CD1 4.1Å; L189-I217 HydrophobicContact CD1-CD1 4.24Å; A192-I217 HydrophobicContact CB-CD1 3.25Å; L196-I217 HydrophobicContact CD2-CG2 3.77Å; K203-I217 CarbonylContact C-O 3.6Å; K203-I217 VanDerWaalsContact CA-O 3.25Å; K203-I217 WeakPolarHBondContact CA-O 3.07Å; L204-I217 HydrophobicContact CB-CB 4.35Å; L204-I217 PolarHBondContact N-O 2.98Å; L204-I217 PolarHBondContact O-N 3.23Å; I206-I217 HydrophobicContact CD1-CD1 4.09Å; I206-I217 HydrophobicContact CD1-CG1 4.43Å
218	A	90.1	Very high	90.2	Very high	1 Å²	1	62.8 Å²	62.8	1%	0.008	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	137.7	178.4	0	0	0	0	0	113	I110 K203 T220 D221	I110-A218 HydrophobicContact CD1-CB 4.36Å; K203-A218 HydrophobicContact CD-CB 3.72Å; K203-A218 VanDerWaalsContact NZ-CB 3.34Å; A218-T220 WeakPolarHBondContact CB-OG1 3.33Å; A218-T220 PolarHBondContact O-N 2.88Å; A218-D221 PolarHBondContact O-N 3.03Å
219	R	89.9	Confident	90	Very high	137 Å²	137	66.4 Å²	66.4	52%	0.517	33%	0.326	S	S	.	.	H	α-helix	trans	-64.3	-26.9	177.5	-178.5	175.5	172.9	-174.8	-1.4	112.1	L196 K200 K201 G202 D221 L222 K223	L196-R219 HydrophobicContact CD2-CB 4.09Å; L196-R219 HydrophobicContact CG-CB 4.38Å; K200-R219 PolarHBondContact O-NH1 2.86Å; K201-R219 WeakPolarHBondContact O-CD 3.05Å; G202-R219 WeakPolarHBondContact O-CB 3.36Å; G202-R219 PolarHBondContact O-N 2.81Å; R219-D221 PolarHBondContact O-N 3.23Å; R219-L222 WeakPolarHBondContact O-CB 3.45Å; R219-L222 PolarHBondContact O-N 3.37Å; R219-K223 PolarHBondContact O-N 2.98Å; R219-K223 VanDerWaalsContact O-N 3.07Å
220	T	86.5	Confident	89.9	Confident	83 Å²	83	62.2 Å²	62.2	51%	0.509	31%	0.309	S	S	.	.	H	α-helix	trans	-59.8	-34.4	174.1	47.1	0	0	0	0	112.1	A218 K223 K224	A218-T220 WeakPolarHBondContact CB-OG1 3.33Å; A218-T220 PolarHBondContact O-N 2.88Å; T220-K223 PolarHBondContact O-N 2.81Å; T220-K224 VanDerWaalsContact O-CG 3.29Å; T220-K224 WeakPolarHBondContact O-CG 3.45Å; T220-K224 PolarHBondContact O-N 2.9Å
221	D	83.8	Confident	90	Very high	13 Å²	13	58 Å²	58	7%	0.07	29%	0.289	C	S	.	.	H	α-helix	trans	-76.6	-35	-178.3	-61.5	-27.5	0	0	0	111.2	N106 A218 R219 K223 K224 N225	N106-D221 WeakPolarHBondContact OD1-CB 3.28Å; A218-D221 PolarHBondContact O-N 3.03Å; R219-D221 PolarHBondContact O-N 3.23Å; D221-K223 VanDerWaalsContact C-N 3.35Å; D221-K223 PolarHBondContact O-N 3.29Å; D221-K224 PolarHBondContact O-N 3.19Å; D221-K224 IonicContact OD1-NZ 2.74Å; D221-K224 PolarHBondContact OD1-NZ 3.2Å; D221-N225 WeakPolarHBondContact O-CB 3.45Å; D221-N225 PolarHBondContact O-N 2.94Å; D221-N225 PolarHBondContact O-ND2 3.18Å; D221-N225 VanDerWaalsContact O-ND2 3.16Å; D221-N225 PolarHBondContact O-OD1 3Å
222	L	84.4	Confident	90.1	Very high	30 Å²	30	53.5 Å²	53.5	16%	0.157	27%	0.273	C	S	.	.	H	α-helix	trans	-57.2	-46.7	166.2	-83.1	-179.1	0	0	0	112.6	N193 L196 R197 R219 N225 Q226	N193-L222 HydrophobicContact CB-CD1 4.15Å; N193-L222 HydrophobicContact CB-CD2 3.79Å; N193-L222 HydrophobicContact CB-CG 4.41Å; N193-L222 WeakPolarHBondContact ND2-CD2 3.45Å; N193-L222 WeakPolarHBondContact OD1-CD2 3.46Å; N193-L222 WeakPolarHBondContact OD1-CG 3.32Å; L196-L222 HydrophobicContact CD2-CD1 3.94Å; L196-L222 HydrophobicContact CG-CD1 4.39Å; R197-L222 HydrophobicContact CG-CD1 4.33Å; R219-L222 WeakPolarHBondContact O-CB 3.45Å; R219-L222 PolarHBondContact O-N 3.37Å; L222-N225 PolarHBondContact O-N 2.87Å; L222-Q226 PolarHBondContact O-N 3.11Å; L222-Q226 VanDerWaalsContact O-N 3.08Å
223	K	86.8	Confident	90	Very high	127 Å²	127	53 Å²	53	55%	0.552	27%	0.27	S	S	*	.	H	α-helix	trans	-63.7	-46.6	178.7	-173.2	178.7	176.5	-175	0	111.3	R219 T220 D221 N225 Q226 D227	R219-K223 PolarHBondContact O-N 2.98Å; R219-K223 VanDerWaalsContact O-N 3.07Å; T220-K223 PolarHBondContact O-N 2.81Å; D221-K223 VanDerWaalsContact C-N 3.35Å; D221-K223 PolarHBondContact O-N 3.29Å; K223-N225 VanDerWaalsContact C-N 3.26Å; K223-N225 PolarHBondContact O-N 2.79Å; K223-Q226 WeakPolarHBondContact O-CB 3.41Å; K223-Q226 PolarHBondContact O-N 2.65Å; K223-Q226 VanDerWaalsContact O-N 3.09Å; K223-D227 WeakPolarHBondContact CE-OD2 3.4Å; K223-D227 WeakPolarHBondContact CG-OD2 3.47Å; K223-D227 WeakPolarHBondContact O-CB 3.42Å; K223-D227 VanDerWaalsContact O-CG 3.28Å; K223-D227 PolarHBondContact O-N 3.25Å
224	K	86.1	Confident	89.8	Confident	43 Å²	43	54.3 Å²	54.3	19%	0.187	28%	0.277	C	S	.	.	H	α-helix	trans	-56.3	-41.1	175.2	-71.5	167.5	-170.4	162.5	0	112	Y105 T220 D221 Q226 D227 H228	Y105-K224 HydrophobicContact CD1-CD 4.33Å; Y105-K224 HydrophobicContact CE1-CD 3.71Å; Y105-K224 HydrophobicContact CE1-CG 4.47Å; Y105-K224 PolarHBondContact O-NZ 3.24Å; T220-K224 VanDerWaalsContact O-CG 3.29Å; T220-K224 WeakPolarHBondContact O-CG 3.45Å; T220-K224 PolarHBondContact O-N 2.9Å; D221-K224 PolarHBondContact O-N 3.19Å; D221-K224 IonicContact OD1-NZ 2.74Å; D221-K224 PolarHBondContact OD1-NZ 3.2Å; K224-Q226 VanDerWaalsContact C-N 3.32Å; K224-Q226 PolarHBondContact O-N 3.3Å; K224-D227 PolarHBondContact O-N 3.38Å; K224-H228 WeakPolarHBondContact O-CB 3.32Å; K224-H228 PolarHBondContact O-CD2 3.11Å; K224-H228 PolarHBondContact O-N 3.34Å
225	N	84	Confident	89.5	Confident	35 Å²	35	56.8 Å²	56.8	19%	0.187	30%	0.297	C	S	.	.	H	α-helix	trans	-67.3	-34.4	178.9	-65.7	-20.3	0	0	0	112.5	N106 D221 L222 K223 H228 K233	N106-N225 PolarHBondContact ND2-OD1 3.19Å; D221-N225 WeakPolarHBondContact O-CB 3.45Å; D221-N225 PolarHBondContact O-N 2.94Å; D221-N225 PolarHBondContact O-ND2 3.18Å; D221-N225 VanDerWaalsContact O-ND2 3.16Å; D221-N225 PolarHBondContact O-OD1 3Å; L222-N225 PolarHBondContact O-N 2.87Å; K223-N225 VanDerWaalsContact C-N 3.26Å; K223-N225 PolarHBondContact O-N 2.79Å; N225-H228 CarbonylContact O-C 3.6Å; N225-K233 VanDerWaalsContact CG-NZ 3.26Å; N225-K233 WeakPolarHBondContact OD1-CE 3.32Å; N225-K233 PolarHBondContact OD1-NZ 3.21Å
226	Q	86.2	Confident	89.1	Confident	156 Å²	156	62.1 Å²	62.1	73%	0.729	32%	0.322	S	S	*	.	H	α-helix	trans	-70.2	-44.2	173.7	-176.7	177.7	14.3	0	0	111.7	L222 K223 K224 H228	L222-Q226 PolarHBondContact O-N 3.11Å; L222-Q226 VanDerWaalsContact O-N 3.08Å; K223-Q226 WeakPolarHBondContact O-CB 3.41Å; K223-Q226 PolarHBondContact O-N 2.65Å; K223-Q226 VanDerWaalsContact O-N 3.09Å; K224-Q226 VanDerWaalsContact C-N 3.32Å; K224-Q226 PolarHBondContact O-N 3.3Å; Q226-H228 VanDerWaalsContact C-N 3.31Å; Q226-H228 PolarHBondContact O-N 2.77Å
227	D	89	Confident	88.8	Confident	93 Å²	93	63.7 Å²	63.7	50%	0.497	33%	0.33	S	S	.	.	H	α-helix	trans	-71.1	-28.2	-178.9	-65.1	-16.9	0	0	0	111.7	K223 K224 P229	K223-D227 WeakPolarHBondContact CE-OD2 3.4Å; K223-D227 WeakPolarHBondContact CG-OD2 3.47Å; K223-D227 WeakPolarHBondContact O-CB 3.42Å; K223-D227 VanDerWaalsContact O-CG 3.28Å; K223-D227 PolarHBondContact O-N 3.25Å; K224-D227 PolarHBondContact O-N 3.38Å; D227-P229 WeakPolarHBondContact O-CD 3.43Å
228	H	91.2	Very high	88.8	Confident	44 Å²	44	65 Å²	65	20%	0.204	34%	0.336	C	S	.	.			trans	-126.9	69.1	-177.5	-59.4	-72.9	0	0	0	112.1	L79 K224 N225 Q226 L230 A231 H449	L79-H228 HydrophobicContact CB-CB 4.26Å; L79-H228 HydrophobicContact CD2-CB 4.07Å; L79-H228 WeakPolarHBondContact O-CB 3.36Å; K224-H228 WeakPolarHBondContact O-CB 3.32Å; K224-H228 PolarHBondContact O-CD2 3.11Å; K224-H228 PolarHBondContact O-N 3.34Å; N225-H228 CarbonylContact O-C 3.6Å; Q226-H228 VanDerWaalsContact C-N 3.31Å; Q226-H228 PolarHBondContact O-N 2.77Å; H228-L230 PolarHBondContact O-N 2.91Å; H228-A231 HydrophobicContact CB-CB 4.23Å; H228-A231 VanDerWaalsContact O-CB 3.3Å; H228-A231 WeakPolarHBondContact O-CB 3.38Å; H228-A231 PolarHBondContact O-N 3.44Å; H228-A231 VanDerWaalsContact O-N 3.17Å; H228-H449 AromaticContact CE1-CE1 3.84Å; H228-H449 AromaticContact CE1-ND1 3.92Å
229	P	90	Very high	89.1	Confident	109 Å²	109	65 Å²	65	71%	0.708	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-20.1	-175.3	27.9	-35.9	0	0	0	113.5	D227	D227-P229 WeakPolarHBondContact O-CD 3.43Å
230	L	93	Very high	89.4	Confident	90 Å²	90	58.6 Å²	58.6	47%	0.471	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-0.2	178.9	-61.6	-178.8	0	0	0	113.4	K57 G81 H228 S232	K57-L230 HydrophobicContact CB-CB 4.36Å; K57-L230 HydrophobicContact CB-CD2 4.46Å; G81-L230 WeakPolarHBondContact CA-O 3.49Å; H228-L230 PolarHBondContact O-N 2.91Å; L230-S232 PolarHBondContact O-N 2.98Å
231	A	94.9	Very high	90	Very high	18 Å²	18	54.6 Å²	54.6	15%	0.149	29%	0.288	C	S	.	.			trans	-53.2	131.5	-171.5	0	0	0	0	0	113.1	S78 L79 H228 K233 L239	S78-A231 CarbonylContact O-C 3.25Å; S78-A231 VanDerWaalsContact O-CA 3.22Å; S78-A231 WeakPolarHBondContact O-CA 3.38Å; L79-A231 HydrophobicContact CD2-CB 4.49Å; H228-A231 HydrophobicContact CB-CB 4.23Å; H228-A231 VanDerWaalsContact O-CB 3.3Å; H228-A231 WeakPolarHBondContact O-CB 3.38Å; H228-A231 PolarHBondContact O-N 3.44Å; H228-A231 VanDerWaalsContact O-N 3.17Å; A231-K233 HydrophobicContact CB-CG 4.43Å; A231-K233 PolarHBondContact O-N 3.06Å; A231-L239 HydrophobicContact CB-CD2 4.24Å
232	S	95.7	Very high	90.7	Very high	7 Å²	7	54 Å²	54	5%	0.049	28%	0.284	C	S	.	.			trans	-77.2	116.3	177.4	-58.7	0	0	0	0	110.2	S78 G81 S82 L230 L239 I240	S78-S232 PolarHBondContact O-N 3.17Å; G81-S232 VanDerWaalsContact CA-OG 3.27Å; G81-S232 WeakPolarHBondContact CA-OG 3.45Å; G81-S232 PolarHBondContact O-OG 2.82Å; G81-S232 VanDerWaalsContact O-OG 3.06Å; S82-S232 PolarHBondContact N-OG 3.31Å; S82-S232 WeakPolarHBondContact O-CB 3.05Å; S82-S232 PolarHBondContact O-OG 3.36Å; L230-S232 PolarHBondContact O-N 2.98Å; S232-L239 WeakPolarHBondContact O-CA 3.3Å; S232-I240 PolarHBondContact O-N 3.25Å; S232-I240 VanDerWaalsContact O-N 3.12Å
233	K	93.4	Very high	91.4	Very high	55 Å²	55	52.6 Å²	52.6	24%	0.239	28%	0.277	C	S	.	.	B	Isolated β-bridge	trans	-137.4	156.2	-173.7	-61.2	177.7	-171.3	166.1	0	112.5	N225 A231 N237 Q238 L239	N225-K233 VanDerWaalsContact CG-NZ 3.26Å; N225-K233 WeakPolarHBondContact OD1-CE 3.32Å; N225-K233 PolarHBondContact OD1-NZ 3.21Å; A231-K233 HydrophobicContact CB-CG 4.43Å; A231-K233 PolarHBondContact O-N 3.06Å; K233-N237 WeakPolarHBondContact CD-OD1 3.12Å; K233-N237 PolarHBondContact NZ-OD1 2.93Å; K233-Q238 CarbonylContact C-O 3.56Å; K233-Q238 WeakPolarHBondContact CA-O 2.98Å; K233-Q238 VanDerWaalsContact CB-O 3.24Å; K233-Q238 WeakPolarHBondContact CB-O 3.46Å; K233-L239 HydrophobicContact CG-CD2 4.17Å
234	D	92.1	Very high	91.9	Very high	30 Å²	30	46.5 Å²	46.5	16%	0.16	25%	0.25	C	S	.	.			trans	-83.7	-174.7	171.8	63.9	22.4	0	0	0	112.1	K103 E236 N237 Q238 I240	K103-D234 IonicContact NZ-OD2 3.45Å; K103-D234 PolarHBondContact NZ-OD2 3.27Å; D234-E236 PolarHBondContact O-N 3.46Å; D234-E236 WeakPolarHBondContact OD1-CA 3.42Å; D234-E236 WeakPolarHBondContact OD1-CB 3.24Å; D234-E236 PolarHBondContact OD1-N 3.12Å; D234-N237 PolarHBondContact O-N 3.48Å; D234-N237 VanDerWaalsContact O-N 3.16Å; D234-N237 PolarHBondContact OD1-N 3.46Å; D234-Q238 PolarHBondContact N-O 2.91Å; D234-Q238 PolarHBondContact OD1-N 2.87Å; D234-I240 HydrophobicContact CB-CG2 4.14Å
235	S	87.5	Confident	92.5	Very high	115 Å²	115	44.5 Å²	44.5	80%	0.804	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-19.8	177.1	47	0	0	0	0	114.1	N237	S235-N237 VanDerWaalsContact C-N 3.28Å
236	E	84	Confident	93	Very high	115 Å²	115	42.9 Å²	42.9	54%	0.537	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91	6.9	176	-60.9	-170	179.6	0	0	112.3	D234 Q238	D234-E236 PolarHBondContact O-N 3.46Å; D234-E236 WeakPolarHBondContact OD1-CA 3.42Å; D234-E236 WeakPolarHBondContact OD1-CB 3.24Å; D234-E236 PolarHBondContact OD1-N 3.12Å; E236-Q238 HydrophobicContact CB-CG 4.27Å; E236-Q238 PolarHBondContact O-N 2.69Å
237	N	85.7	Confident	93.4	Very high	35 Å²	35	36 Å²	36	19%	0.187	20%	0.202	C	C	.	.	S	Bend	trans	62	23.9	-176.9	-166.2	49.2	0	0	0	112.8	L189 K233 D234 S235	L189-N237 HydrophobicContact CD2-CB 4.28Å; K233-N237 WeakPolarHBondContact CD-OD1 3.12Å; K233-N237 PolarHBondContact NZ-OD1 2.93Å; D234-N237 PolarHBondContact O-N 3.48Å; D234-N237 VanDerWaalsContact O-N 3.16Å; D234-N237 PolarHBondContact OD1-N 3.46Å; S235-N237 VanDerWaalsContact C-N 3.28Å
238	Q	91.2	Very high	93.4	Very high	30 Å²	30	33.4 Å²	33.4	14%	0.14	19%	0.187	C	C	.	.	P	Polyproline II helix	trans	-88.9	152.6	169.3	-57.4	178.7	-3.4	0	0	110.2	N106 K233 D234 E236 I240	N106-Q238 WeakPolarHBondContact O-CA 3.49Å; K233-Q238 CarbonylContact C-O 3.56Å; K233-Q238 WeakPolarHBondContact CA-O 2.98Å; K233-Q238 VanDerWaalsContact CB-O 3.24Å; K233-Q238 WeakPolarHBondContact CB-O 3.46Å; D234-Q238 PolarHBondContact N-O 2.91Å; D234-Q238 PolarHBondContact OD1-N 2.87Å; E236-Q238 HydrophobicContact CB-CG 4.27Å; E236-Q238 PolarHBondContact O-N 2.69Å; Q238-I240 PolarHBondContact O-N 3.27Å
239	L	95.1	Very high	93.3	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-62.4	138	174.2	-64.3	179.9	0	0	0	109.8	I75 L79 V102 K103 Y105 N106 A231 S232 K233	I75-L239 HydrophobicContact CB-CD1 4.47Å; I75-L239 HydrophobicContact CG1-CD1 4.42Å; I75-L239 HydrophobicContact CG2-CD1 4.1Å; L79-L239 HydrophobicContact CD2-CD1 4.19Å; L79-L239 HydrophobicContact CD2-CD2 4.05Å; L79-L239 HydrophobicContact CG-CD1 4.17Å; V102-L239 HydrophobicContact CG1-CB 4.12Å; K103-L239 VanDerWaalsContact CD-O 3.3Å; K103-L239 WeakPolarHBondContact CD-O 3.48Å; K103-L239 WeakPolarHBondContact CE-O 3.44Å; K103-L239 PolarHBondContact NZ-O 2.91Å; Y105-L239 HydrophobicContact CD1-CD1 3.77Å; Y105-L239 HydrophobicContact CG-CD1 4.34Å; N106-L239 HydrophobicContact CB-CG 4.14Å; A231-L239 HydrophobicContact CB-CD2 4.24Å; S232-L239 WeakPolarHBondContact O-CA 3.3Å; K233-L239 HydrophobicContact CG-CD2 4.17Å
240	I	97.2	Very high	93.3	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.01	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-76.3	147.1	172.2	64.5	177.6	0	0	0	110.6	F54 L56 S78 I83 S232 D234 Q238 D264	F54-I240 HydrophobicContact CD1-CG2 4.27Å; F54-I240 HydrophobicContact CE1-CG2 4.04Å; L56-I240 HydrophobicContact CD2-CD1 3.56Å; S78-I240 PolarHBondContact OG-O 2.94Å; I83-I240 HydrophobicContact CD1-CD1 4.02Å; I83-I240 HydrophobicContact CD1-CG1 4.14Å; I83-I240 HydrophobicContact CG1-CD1 4.42Å; I83-I240 HydrophobicContact CG1-CG1 4.26Å; S232-I240 PolarHBondContact O-N 3.25Å; S232-I240 VanDerWaalsContact O-N 3.12Å; D234-I240 HydrophobicContact CB-CG2 4.14Å; Q238-I240 PolarHBondContact O-N 3.27Å; I240-D264 WeakPolarHBondContact CA-OD2 3.49Å; I240-D264 HydrophobicContact CB-CB 4.32Å
241	V	98.4	Very high	93.2	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.176	C	C	.	.			trans	-143.6	140.7	178.2	66.9	0	0	0	0	111	A74 V86 V99 V102 K103 D264 I265	A74-V241 HydrophobicContact CB-CG2 4.19Å; V86-V241 HydrophobicContact CG2-CG2 4.1Å; V99-V241 HydrophobicContact CG1-CG1 3.81Å; V102-V241 HydrophobicContact CB-CB 4.09Å; V102-V241 HydrophobicContact CB-CG1 4.46Å; V102-V241 HydrophobicContact CB-CG2 4.04Å; V102-V241 HydrophobicContact CG1-CB 3.82Å; V102-V241 HydrophobicContact CG1-CG2 4.05Å; V102-V241 HydrophobicContact CG2-CG2 3.9Å; K103-V241 HydrophobicContact CD-CG1 3.7Å; K103-V241 HydrophobicContact CG-CG1 4.14Å; V241-D264 PolarHBondContact N-OD2 2.69Å; V241-D264 PolarHBondContact O-N 3.21Å; V241-I265 PolarHBondContact O-N 3.44Å
242	G	98.7	Very high	93.2	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	158	170.3	0	0	0	0	0	112.1	G84 F85 V86 I265	G84-G242 PolarHBondContact O-N 3.16Å; F85-G242 CarbonylContact C-O 3.6Å; F85-G242 WeakPolarHBondContact CA-O 3.22Å; F85-G242 VanDerWaalsContact CD1-CA 3.5Å; V86-G242 PolarHBondContact N-O 2.86Å; G242-I265 CarbonylContact C-O 3.57Å; G242-I265 WeakPolarHBondContact CA-O 3.47Å
243	A	98.7	Very high	93.2	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	145.4	171.1	0	0	0	0	0	111.1	V86 V99 L258 V263 I265 I266 V267	V86-A243 WeakPolarHBondContact O-CA 3.44Å; V99-A243 HydrophobicContact CG2-CB 4.19Å; A243-L258 HydrophobicContact CB-CD1 3.84Å; A243-L258 HydrophobicContact CB-CD2 3.91Å; A243-L258 HydrophobicContact CB-CG 4.46Å; A243-V263 HydrophobicContact CB-CG2 3.85Å; A243-I265 PolarHBondContact N-O 3.36Å; A243-I266 HydrophobicContact CB-CD1 4.33Å; A243-I266 WeakPolarHBondContact O-CA 3.17Å; A243-V267 PolarHBondContact O-N 3.42Å
244	A	98.1	Very high	93.4	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	149.7	173.2	0	0	0	0	0	111.5	P64 V86 N88 Q95 V267 D269	P64-A244 HydrophobicContact CB-CB 3.55Å; P64-A244 HydrophobicContact CG-CB 4.12Å; V86-A244 PolarHBondContact O-N 2.87Å; N88-A244 WeakPolarHBondContact CB-O 3.16Å; Q95-A244 PolarHBondContact NE2-O 3.41Å; A244-V267 CarbonylContact C-O 3.55Å; A244-V267 VanDerWaalsContact CA-O 3.25Å; A244-V267 WeakPolarHBondContact CA-O 3.22Å; A244-D269 HydrophobicContact CB-CB 4.17Å
245	I	97.5	Very high	93.7	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	162.6	165.6	66.5	169.9	0	0	0	109.2	R254 V255 L258 I266 V267 I268 D269 M281	I245-R254 HydrophobicContact CG2-CG 4.27Å; I245-V255 HydrophobicContact CD1-CG2 3.49Å; I245-V255 VanDerWaalsContact CD1-CG2 3.49Å; I245-V255 HydrophobicContact CG2-CG2 4.17Å; I245-L258 HydrophobicContact CG2-CD1 3.82Å; I245-I266 HydrophobicContact CD1-CG2 3.65Å; I245-I266 HydrophobicContact CG1-CG2 3.65Å; I245-I266 HydrophobicContact CG2-CD1 4.32Å; I245-I266 HydrophobicContact CG2-CG2 4.21Å; I245-V267 PolarHBondContact N-O 3.48Å; I245-I268 HydrophobicContact CD1-CG1 4.07Å; I245-I268 HydrophobicContact CG1-CB 4.47Å; I245-I268 HydrophobicContact CG1-CG1 4.01Å; I245-I268 HydrophobicContact CG1-CG2 4.5Å; I245-D269 PolarHBondContact O-N 3.41Å; I245-M281 HydrophobicContact CD1-CG 4.12Å; I245-M281 HydrophobicContact CD1-SD 4.28Å
246	S	95.2	Very high	94.2	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.007	15%	0.152	C	C	.	.			trans	-86.6	-172	169.4	84.1	0	0	0	0	111.4	N88 Q248 D251	N88-S246 PolarHBondContact ND2-N 2.97Å; S246-Q248 PolarHBondContact OG-N 3.37Å; S246-D251 WeakPolarHBondContact CA-OD2 3.44Å; S246-D251 WeakPolarHBondContact CB-OD2 3.46Å; S246-D251 PolarHBondContact N-OD2 3.22Å; S246-D251 PolarHBondContact OG-OD2 3.05Å
247	T	94.3	Very high	94.8	Very high	12 Å²	12	27.9 Å²	27.9	7%	0.074	14%	0.136	C	C	.	.	S	Bend	trans	-97.4	-0.3	178.2	59	0	0	0	0	113.2	I268 Q278	T247-I268 HydrophobicContact CG2-CG2 3.66Å; T247-Q278 HydrophobicContact CG2-CB 3.72Å; T247-Q278 HydrophobicContact CG2-CG 4.24Å
248	Q	90.1	Very high	95.4	Very high	39 Å²	39	26.2 Å²	26.2	18%	0.182	13%	0.127	C	C	.	.	S	Bend	trans	-74.2	147.9	-177.1	-69.4	178.5	68.2	0	0	112.1	S246 R250 D251 M281 A423 E428	S246-Q248 PolarHBondContact OG-N 3.37Å; Q248-R250 VanDerWaalsContact C-N 3.28Å; Q248-R250 HydrophobicContact CB-CG 4.05Å; Q248-R250 PolarHBondContact O-N 3.24Å; Q248-D251 WeakPolarHBondContact O-CB 3.33Å; Q248-D251 PolarHBondContact O-N 3.23Å; Q248-M281 WeakPolarHBondContact O-CE 3.16Å; Q248-A423 HydrophobicContact CG-CB 4.38Å; Q248-E428 VanDerWaalsContact CD-CD 3.45Å; Q248-E428 PolarHBondContact NE2-OE1 3.4Å; Q248-E428 PolarHBondContact NE2-OE2 3.35Å; Q248-E428 PolarHBondContact OE1-OE1 3.07Å; Q248-E428 PolarHBondContact OE1-OE2 3.44Å
249	E	88.2	Confident	95.7	Very high	146 Å²	146	26.8 Å²	26.8	68%	0.682	13%	0.133	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-39.2	179.7	-170.8	172.2	-169.7	0	0	113.1	D251 F252 R284	E249-D251 PolarHBondContact O-N 2.76Å; E249-F252 VanDerWaalsContact O-CB 3.27Å; E249-F252 WeakPolarHBondContact O-CB 3.3Å; E249-F252 PolarHBondContact O-N 2.92Å; E249-R284 IonicContact OE1-NH1 3.52Å; E249-R284 PolarHBondContact OE1-NH1 3.31Å
250	R	89.7	Confident	95.8	Very high	121 Å²	121	33 Å²	33	46%	0.457	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-25.3	177.1	65.3	176.9	172.4	151.8	-1.9	113.9	Q248 F252 D253 T419 E428	Q248-R250 VanDerWaalsContact C-N 3.28Å; Q248-R250 HydrophobicContact CB-CG 4.05Å; Q248-R250 PolarHBondContact O-N 3.24Å; R250-F252 PolarHBondContact O-N 3.41Å; R250-D253 PolarHBondContact O-N 3.33Å; R250-T419 PolarHBondContact NH2-OG1 3.45Å; R250-E428 IonicContact NH2-OE1 3.47Å; R250-E428 PolarHBondContact NH2-OE1 2.97Å
251	D	91.6	Very high	95.7	Very high	4 Å²	4	33.3 Å²	33.3	2%	0.021	17%	0.169	C	C	.	.	H	α-helix	trans	-74	-3.1	177.4	-99.7	-7.5	0	0	0	112.5	S246 Q248 E249 D253 R254 V255 M281	S246-D251 WeakPolarHBondContact CA-OD2 3.44Å; S246-D251 WeakPolarHBondContact CB-OD2 3.46Å; S246-D251 PolarHBondContact N-OD2 3.22Å; S246-D251 PolarHBondContact OG-OD2 3.05Å; Q248-D251 WeakPolarHBondContact O-CB 3.33Å; Q248-D251 PolarHBondContact O-N 3.23Å; E249-D251 PolarHBondContact O-N 2.76Å; D251-D253 VanDerWaalsContact C-N 3.26Å; D251-D253 PolarHBondContact O-N 2.65Å; D251-R254 HydrophobicContact CB-CB 4.44Å; D251-R254 VanDerWaalsContact O-CB 3.25Å; D251-R254 WeakPolarHBondContact O-CB 3.21Å; D251-R254 PolarHBondContact O-N 3.3Å; D251-R254 WeakPolarHBondContact OD1-CD 3.26Å; D251-R254 IonicContact OD1-CZ 3.36Å; D251-R254 IonicContact OD1-NE 3.62Å; D251-R254 PolarHBondContact OD1-NE 2.62Å; D251-V255 PolarHBondContact O-N 2.99Å; D251-M281 HydrophobicContact CB-CE 4.49Å
252	F	95.3	Very high	95.6	Very high	14 Å²	14	34.7 Å²	34.7	6%	0.061	18%	0.183	C	C	.	.	H	α-helix	trans	-64.1	-32.7	167.9	-163.6	-100.2	0	0	0	112.2	E249 R250 R254 V255 N256 M281 R284 V285 V288 F289	E249-F252 VanDerWaalsContact O-CB 3.27Å; E249-F252 WeakPolarHBondContact O-CB 3.3Å; E249-F252 PolarHBondContact O-N 2.92Å; R250-F252 PolarHBondContact O-N 3.41Å; F252-R254 VanDerWaalsContact C-N 3.28Å; F252-R254 PolarHBondContact O-N 3.39Å; F252-V255 WeakPolarHBondContact O-CB 3.42Å; F252-V255 PolarHBondContact O-N 2.87Å; F252-N256 PolarHBondContact O-N 3.11Å; F252-N256 PolarHBondContact O-ND2 3.38Å; F252-M281 HydrophobicContact CD2-SD 4.21Å; F252-R284 HydrophobicContact CD2-CG 3.86Å; F252-R284 HydrophobicContact CE2-CB 4.4Å; F252-R284 HydrophobicContact CE2-CG 3.57Å; F252-R284 VanDerWaalsContact CG-NE 3.31Å; F252-R284 HydrophobicContact CZ-CG 4.13Å; F252-V285 HydrophobicContact CD2-CG2 4.26Å; F252-V285 HydrophobicContact CE2-CG2 4.04Å; F252-V288 HydrophobicContact CZ-CB 3.99Å; F252-V288 HydrophobicContact CZ-CG1 4.22Å; F252-V288 HydrophobicContact CZ-CG2 3.75Å; F252-F289 HydrophobicContact CZ-CE2 4.33Å
253	D	95.7	Very high	95.6	Very high	107 Å²	107	35.2 Å²	35.2	57%	0.572	19%	0.186	S	C	*	.	H	α-helix	trans	-66.1	-35	172.9	-68.3	-25.2	0	0	0	111.5	R250 D251 N256 A257	R250-D253 PolarHBondContact O-N 3.33Å; D251-D253 VanDerWaalsContact C-N 3.26Å; D251-D253 PolarHBondContact O-N 2.65Å; D253-N256 PolarHBondContact O-N 2.78Å; D253-A257 PolarHBondContact O-N 3.1Å
254	R	97.3	Very high	95.6	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.008	19%	0.192	C	C	.	.	H	α-helix	trans	-61.6	-43.5	171.1	-172.1	-179.5	-71.5	-79.4	2.8	111.1	C90 S91 V92 Q95 I245 D251 F252 N256 A257 L258 E420	C90-R254 PolarHBondContact O-NH1 3.12Å; C90-R254 PolarHBondContact O-NH2 3.27Å; S91-R254 PolarHBondContact O-NH1 3.09Å; V92-R254 HydrophobicContact CG1-CB 4.32Å; V92-R254 HydrophobicContact CG1-CG 4.48Å; V92-R254 HydrophobicContact CG2-CB 3.91Å; V92-R254 HydrophobicContact CG2-CG 4.23Å; Q95-R254 VanDerWaalsContact OE1-CG 3.31Å; I245-R254 HydrophobicContact CG2-CG 4.27Å; D251-R254 HydrophobicContact CB-CB 4.44Å; D251-R254 VanDerWaalsContact O-CB 3.25Å; D251-R254 WeakPolarHBondContact O-CB 3.21Å; D251-R254 PolarHBondContact O-N 3.3Å; D251-R254 WeakPolarHBondContact OD1-CD 3.26Å; D251-R254 IonicContact OD1-CZ 3.36Å; D251-R254 IonicContact OD1-NE 3.62Å; D251-R254 PolarHBondContact OD1-NE 2.62Å; F252-R254 VanDerWaalsContact C-N 3.28Å; F252-R254 PolarHBondContact O-N 3.39Å; R254-N256 PolarHBondContact O-N 3.21Å; R254-A257 PolarHBondContact O-N 2.72Å; R254-L258 HydrophobicContact CG-CD1 3.91Å; R254-L258 HydrophobicContact CG-CG 4.36Å; R254-L258 WeakPolarHBondContact O-CB 3.41Å; R254-L258 WeakPolarHBondContact O-CG 3.46Å; R254-L258 PolarHBondContact O-N 3.09Å; R254-E420 IonicContact NH2-OE1 3.95Å; R254-E420 PolarHBondContact NH2-OE1 2.95Å
255	V	97.8	Very high	95.6	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-57.6	-49.1	174.1	177.5	0	0	0	0	111.1	I245 D251 F252 A257 L258 V259 V285 F289 L292	I245-V255 HydrophobicContact CD1-CG2 3.49Å; I245-V255 VanDerWaalsContact CD1-CG2 3.49Å; I245-V255 HydrophobicContact CG2-CG2 4.17Å; D251-V255 PolarHBondContact O-N 2.99Å; F252-V255 WeakPolarHBondContact O-CB 3.42Å; F252-V255 PolarHBondContact O-N 2.87Å; V255-A257 VanDerWaalsContact C-N 3.33Å; V255-A257 PolarHBondContact O-N 3.41Å; V255-L258 PolarHBondContact O-N 3.43Å; V255-V259 HydrophobicContact CG1-CG2 4.21Å; V255-V259 WeakPolarHBondContact O-CG2 3.45Å; V255-V259 PolarHBondContact O-N 2.82Å; V255-V285 HydrophobicContact CG1-CG1 4.19Å; V255-V285 HydrophobicContact CG1-CG2 4.2Å; V255-V285 HydrophobicContact CG2-CG2 4.07Å; V255-F289 HydrophobicContact CG1-CD2 3.98Å; V255-F289 HydrophobicContact CG1-CE2 3.9Å; V255-L292 HydrophobicContact CG1-CD2 4.25Å
256	N	97.6	Very high	95.6	Very high	47 Å²	47	36.2 Å²	36.2	25%	0.251	19%	0.192	S	C	.	.	H	α-helix	trans	-56.4	-46.9	178.2	-69.6	-37.4	0	0	0	111.8	F252 D253 R254 L258 V259 N260 F289	F252-N256 PolarHBondContact O-N 3.11Å; F252-N256 PolarHBondContact O-ND2 3.38Å; D253-N256 PolarHBondContact O-N 2.78Å; R254-N256 PolarHBondContact O-N 3.21Å; N256-L258 PolarHBondContact O-N 3.12Å; N256-V259 PolarHBondContact O-N 3.09Å; N256-N260 WeakPolarHBondContact O-CB 3.3Å; N256-N260 VanDerWaalsContact O-CG 3.22Å; N256-N260 PolarHBondContact O-N 3.4Å; N256-N260 PolarHBondContact O-ND2 3.18Å; N256-F289 WeakPolarHBondContact OD1-CE2 3.46Å; N256-F289 VanDerWaalsContact OD1-CZ 3.22Å; N256-F289 WeakPolarHBondContact OD1-CZ 3.28Å
257	A	98	Very high	95.8	Very high	25 Å²	25	36.1 Å²	36.1	21%	0.207	19%	0.191	C	C	.	.	H	α-helix	trans	-64	-39.4	178.8	0	0	0	0	0	112.8	V92 A96 D253 R254 V255 N260 A261	V92-A257 HydrophobicContact CG1-CB 3.36Å; A96-A257 HydrophobicContact CB-CB 4.23Å; D253-A257 PolarHBondContact O-N 3.1Å; R254-A257 PolarHBondContact O-N 2.72Å; V255-A257 VanDerWaalsContact C-N 3.33Å; V255-A257 PolarHBondContact O-N 3.41Å; A257-N260 PolarHBondContact O-N 3.16Å; A257-A261 WeakPolarHBondContact O-CB 3.46Å; A257-A261 PolarHBondContact O-N 2.83Å
258	L	98.4	Very high	96	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-69.9	-40.5	178.5	-67.5	169.1	0	0	0	112.2	Q95 V99 A243 I245 R254 V255 N256 A261 G262 V263 I266	Q95-L258 HydrophobicContact CB-CD2 4.36Å; Q95-L258 HydrophobicContact CG-CD2 3.91Å; V99-L258 HydrophobicContact CG2-CD2 3.75Å; A243-L258 HydrophobicContact CB-CD1 3.84Å; A243-L258 HydrophobicContact CB-CD2 3.91Å; A243-L258 HydrophobicContact CB-CG 4.46Å; I245-L258 HydrophobicContact CG2-CD1 3.82Å; R254-L258 HydrophobicContact CG-CD1 3.91Å; R254-L258 HydrophobicContact CG-CG 4.36Å; R254-L258 WeakPolarHBondContact O-CB 3.41Å; R254-L258 WeakPolarHBondContact O-CG 3.46Å; R254-L258 PolarHBondContact O-N 3.09Å; V255-L258 PolarHBondContact O-N 3.43Å; N256-L258 PolarHBondContact O-N 3.12Å; L258-A261 CarbonylContact O-C 3.56Å; L258-A261 WeakPolarHBondContact O-CA 3.27Å; L258-A261 WeakPolarHBondContact O-CB 3.49Å; L258-A261 PolarHBondContact O-N 2.92Å; L258-A261 VanDerWaalsContact O-N 3.1Å; L258-G262 PolarHBondContact O-N 2.85Å; L258-G262 VanDerWaalsContact O-N 3.16Å; L258-V263 HydrophobicContact CB-CB 4.15Å; L258-V263 HydrophobicContact CB-CG1 3.79Å; L258-V263 WeakPolarHBondContact O-CB 3.46Å; L258-V263 WeakPolarHBondContact O-CG1 3.22Å; L258-V263 PolarHBondContact O-N 3.31Å; L258-I266 HydrophobicContact CB-CD1 4.36Å; L258-I266 HydrophobicContact CD1-CD1 3.76Å
259	V	97.6	Very high	96.2	Very high	42 Å²	42	34 Å²	34	26%	0.255	18%	0.18	S	C	.	.	H	α-helix	trans	-62	-45.5	173.8	173	0	0	0	0	110.3	V255 N256 A261 G262 V263 F289 L292	V255-V259 HydrophobicContact CG1-CG2 4.21Å; V255-V259 WeakPolarHBondContact O-CG2 3.45Å; V255-V259 PolarHBondContact O-N 2.82Å; N256-V259 PolarHBondContact O-N 3.09Å; V259-A261 PolarHBondContact O-N 3.41Å; V259-G262 PolarHBondContact O-N 3.11Å; V259-V263 HydrophobicContact CG2-CG1 4.39Å; V259-F289 HydrophobicContact CB-CE1 4.26Å; V259-F289 HydrophobicContact CB-CZ 4.36Å; V259-F289 HydrophobicContact CG1-CD1 3.97Å; V259-F289 HydrophobicContact CG1-CE1 3.78Å; V259-F289 HydrophobicContact CG1-CZ 4.37Å; V259-F289 HydrophobicContact CG2-CD1 4.26Å; V259-F289 HydrophobicContact CG2-CD2 4.23Å; V259-F289 HydrophobicContact CG2-CE1 4.28Å; V259-F289 HydrophobicContact CG2-CE2 4.26Å; V259-F289 HydrophobicContact CG2-CG 4.23Å; V259-F289 HydrophobicContact CG2-CZ 4.27Å; V259-L292 HydrophobicContact CG2-CD1 4.48Å; V259-L292 HydrophobicContact CG2-CD2 3.74Å
260	N	96.6	Very high	96.5	Very high	131 Å²	131	27 Å²	27	70%	0.701	15%	0.148	S	C	*	.	H	α-helix	trans	-63.3	-22.8	174.3	-70.7	-24.3	0	0	0	113.4	N256 A257 G262	N256-N260 WeakPolarHBondContact O-CB 3.3Å; N256-N260 VanDerWaalsContact O-CG 3.22Å; N256-N260 PolarHBondContact O-N 3.4Å; N256-N260 PolarHBondContact O-ND2 3.18Å; A257-N260 PolarHBondContact O-N 3.16Å; N260-G262 VanDerWaalsContact C-N 3.35Å
261	A	95.9	Very high	96.5	Very high	8 Å²	8	22 Å²	22	7%	0.066	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-10.2	173.3	0	0	0	0	0	113.5	A96 V99 K100 A257 L258 V259	A96-A261 HydrophobicContact CB-CB 4.16Å; A96-A261 WeakPolarHBondContact O-CB 3.22Å; V99-A261 HydrophobicContact CB-CB 4.05Å; V99-A261 HydrophobicContact CG1-CB 3.72Å; K100-A261 HydrophobicContact CG-CB 3.94Å; A257-A261 WeakPolarHBondContact O-CB 3.46Å; A257-A261 PolarHBondContact O-N 2.83Å; L258-A261 CarbonylContact O-C 3.56Å; L258-A261 WeakPolarHBondContact O-CA 3.27Å; L258-A261 WeakPolarHBondContact O-CB 3.49Å; L258-A261 PolarHBondContact O-N 2.92Å; L258-A261 VanDerWaalsContact O-N 3.1Å; V259-A261 PolarHBondContact O-N 3.41Å
262	G	95.7	Very high	96.7	Very high	29 Å²	29	24.4 Å²	24.4	30%	0.299	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.1	29.3	179.8	0	0	0	0	0	114.4	K103 L258 V259 N260	K103-G262 WeakPolarHBondContact CD-O 3.4Å; K103-G262 VanDerWaalsContact CE-O 3.25Å; K103-G262 WeakPolarHBondContact CE-O 3.45Å; K103-G262 WeakPolarHBondContact CG-O 3.29Å; L258-G262 PolarHBondContact O-N 2.85Å; L258-G262 VanDerWaalsContact O-N 3.16Å; V259-G262 PolarHBondContact O-N 3.11Å; N260-G262 VanDerWaalsContact C-N 3.35Å
263	V	98.1	Very high	96.8	Very high	12 Å²	12	23.7 Å²	23.7	7%	0.073	14%	0.139	C	C	.	.			trans	-61.7	139.3	174.9	74.7	0	0	0	0	111.3	V99 A243 L258 V259 I266 L292	V99-V263 HydrophobicContact CG1-CB 4.09Å; A243-V263 HydrophobicContact CB-CG2 3.85Å; L258-V263 HydrophobicContact CB-CB 4.15Å; L258-V263 HydrophobicContact CB-CG1 3.79Å; L258-V263 WeakPolarHBondContact O-CB 3.46Å; L258-V263 WeakPolarHBondContact O-CG1 3.22Å; L258-V263 PolarHBondContact O-N 3.31Å; V259-V263 HydrophobicContact CG2-CG1 4.39Å; V263-I266 HydrophobicContact CG1-CD1 3.91Å; V263-I266 HydrophobicContact CG1-CG1 4.38Å; V263-I266 HydrophobicContact CG2-CD1 4.13Å; V263-L292 HydrophobicContact CG1-CD1 4.18Å
264	D	98.2	Very high	96.8	Very high	20 Å²	20	20.8 Å²	20.8	11%	0.107	12%	0.124	C	C	.	.			trans	-93.9	-36.3	-178.7	-57.5	-88.2	0	0	0	112.2	F54 K103 I240 V241	F54-D264 HydrophobicContact CE2-CB 3.92Å; F54-D264 HydrophobicContact CZ-CB 3.81Å; K103-D264 IonicContact NZ-OD1 3.21Å; K103-D264 PolarHBondContact NZ-OD1 3.48Å; K103-D264 VanDerWaalsContact NZ-OD1 3.11Å; K103-D264 IonicContact NZ-OD2 2.94Å; K103-D264 PolarHBondContact NZ-OD2 2.91Å; I240-D264 WeakPolarHBondContact CA-OD2 3.49Å; I240-D264 HydrophobicContact CB-CB 4.32Å; V241-D264 PolarHBondContact N-OD2 2.69Å; V241-D264 PolarHBondContact O-N 3.21Å
265	I	98.6	Very high	96.8	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	131	-174.5	-47.4	-179	0	0	0	110.9	I50 F54 I83 F85 V241 G242 A243 Q293 I295	I50-I265 HydrophobicContact CG2-CD1 3.71Å; F54-I265 HydrophobicContact CB-CD1 4.15Å; F54-I265 HydrophobicContact CD2-CD1 3.7Å; F54-I265 HydrophobicContact CD2-CG1 3.66Å; F54-I265 HydrophobicContact CE2-CD1 4.47Å; F54-I265 HydrophobicContact CE2-CG1 3.96Å; F54-I265 HydrophobicContact CG-CD1 4.19Å; I83-I265 HydrophobicContact CD1-CD1 3.73Å; I83-I265 HydrophobicContact CD1-CG1 4.42Å; F85-I265 HydrophobicContact CE1-CB 4.23Å; F85-I265 HydrophobicContact CE1-CG2 4.08Å; V241-I265 PolarHBondContact O-N 3.44Å; G242-I265 CarbonylContact C-O 3.57Å; G242-I265 WeakPolarHBondContact CA-O 3.47Å; A243-I265 PolarHBondContact N-O 3.36Å; I265-Q293 WeakPolarHBondContact CA-O 3.37Å; I265-Q293 HydrophobicContact CG1-CB 4.23Å; I265-Q293 HydrophobicContact CG2-CB 4.25Å; I265-I295 HydrophobicContact CG2-CD1 3.52Å; I265-I295 HydrophobicContact CG2-CG1 3.91Å
266	I	98.5	Very high	96.8	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	131.9	170.5	-67.2	-61.7	0	0	0	110.1	A243 I245 L258 V263 I268 L292 Q293 I294 I295	A243-I266 HydrophobicContact CB-CD1 4.33Å; A243-I266 WeakPolarHBondContact O-CA 3.17Å; I245-I266 HydrophobicContact CD1-CG2 3.65Å; I245-I266 HydrophobicContact CG1-CG2 3.65Å; I245-I266 HydrophobicContact CG2-CD1 4.32Å; I245-I266 HydrophobicContact CG2-CG2 4.21Å; L258-I266 HydrophobicContact CB-CD1 4.36Å; L258-I266 HydrophobicContact CD1-CD1 3.76Å; V263-I266 HydrophobicContact CG1-CD1 3.91Å; V263-I266 HydrophobicContact CG1-CG1 4.38Å; V263-I266 HydrophobicContact CG2-CD1 4.13Å; I266-I268 HydrophobicContact CG2-CG1 4.35Å; I266-L292 HydrophobicContact CG1-CD1 4.36Å; I266-L292 HydrophobicContact CG1-CD2 3.79Å; I266-L292 HydrophobicContact CG1-CG 4.29Å; I266-Q293 PolarHBondContact N-O 3.3Å; I266-I294 CarbonylContact O-C 3.49Å; I266-I294 WeakPolarHBondContact O-CA 3.18Å; I266-I295 PolarHBondContact O-N 2.87Å
267	V	98.5	Very high	96.7	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	124.3	165.3	168.4	0	0	0	0	108.2	F85 A243 A244 I245 D269 I295	F85-V267 HydrophobicContact CD1-CB 4.16Å; F85-V267 HydrophobicContact CD1-CG2 3.34Å; F85-V267 HydrophobicContact CE1-CB 4.42Å; F85-V267 HydrophobicContact CE1-CG2 3.24Å; F85-V267 HydrophobicContact CG-CG2 4.09Å; F85-V267 HydrophobicContact CZ-CG2 3.89Å; A243-V267 PolarHBondContact O-N 3.42Å; A244-V267 CarbonylContact C-O 3.55Å; A244-V267 VanDerWaalsContact CA-O 3.25Å; A244-V267 WeakPolarHBondContact CA-O 3.22Å; I245-V267 PolarHBondContact N-O 3.48Å; V267-D269 PolarHBondContact O-N 2.69Å; V267-I295 WeakPolarHBondContact CA-O 3.48Å; V267-I295 HydrophobicContact CG2-CB 3.79Å; V267-I295 HydrophobicContact CG2-CD1 3.89Å; V267-I295 HydrophobicContact CG2-CG1 4.45Å; V267-I295 HydrophobicContact CG2-CG2 4.05Å
268	I	98	Very high	96.7	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.005	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	106.9	170.5	-52	179.5	0	0	0	107.6	I245 T247 I266 S270 Q278 M281 I282 I294 I295 G297	I245-I268 HydrophobicContact CD1-CG1 4.07Å; I245-I268 HydrophobicContact CG1-CB 4.47Å; I245-I268 HydrophobicContact CG1-CG1 4.01Å; I245-I268 HydrophobicContact CG1-CG2 4.5Å; T247-I268 HydrophobicContact CG2-CG2 3.66Å; I266-I268 HydrophobicContact CG2-CG1 4.35Å; I268-S270 PolarHBondContact O-N 3.34Å; I268-Q278 HydrophobicContact CB-CG 4.31Å; I268-Q278 HydrophobicContact CD1-CG 4.28Å; I268-Q278 HydrophobicContact CG2-CG 3.85Å; I268-M281 HydrophobicContact CD1-CB 4.38Å; I268-M281 HydrophobicContact CD1-CG 3.95Å; I268-I282 HydrophobicContact CD1-CD1 4.39Å; I268-I282 HydrophobicContact CD1-CG1 3.46Å; I268-I282 VanDerWaalsContact CD1-CG1 3.46Å; I268-I294 HydrophobicContact CD1-CG2 3.88Å; I268-I294 HydrophobicContact CG1-CG2 4.07Å; I268-I295 PolarHBondContact N-O 3.36Å; I268-G297 VanDerWaalsContact O-O 3.1Å
269	D	94.6	Very high	96.7	Very high	4 Å²	4	30.9 Å²	30.9	2%	0.021	17%	0.165	C	C	.	.			trans	-92	104.4	-171.1	-167	37.4	0	0	0	110.6	A244 I245 V267 R317 R424	A244-D269 HydrophobicContact CB-CB 4.17Å; I245-D269 PolarHBondContact O-N 3.41Å; V267-D269 PolarHBondContact O-N 2.69Å; D269-R317 IonicContact OD1-CZ 2.7Å; D269-R317 IonicContact OD1-NH1 3.07Å; D269-R317 PolarHBondContact OD1-NH1 3.38Å; D269-R424 IonicContact OD1-CZ 3.7Å; D269-R424 IonicContact OD1-NE 3.35Å; D269-R424 IonicContact OD1-NH1 3.26Å; D269-R424 PolarHBondContact OD1-NH1 2.72Å; D269-R424 IonicContact OD1-NH2 2.79Å; D269-R424 PolarHBondContact OD1-NH2 3.45Å; D269-R424 WeakPolarHBondContact OD2-CD 3.43Å; D269-R424 IonicContact OD2-CZ 3.71Å; D269-R424 IonicContact OD2-NE 2.86Å; D269-R424 PolarHBondContact OD2-NE 3.48Å; D269-R424 IonicContact OD2-NH1 2.74Å; D269-R424 PolarHBondContact OD2-NH1 2.85Å
270	S	94.1	Very high	96.7	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.007	17%	0.173	C	C	.	.			trans	-130.8	146.2	172.4	178.8	0	0	0	0	110	I268 Q272 G297 N298	I268-S270 PolarHBondContact O-N 3.34Å; S270-Q272 PolarHBondContact O-N 3.38Å; S270-Q272 VanDerWaalsContact OG-C 3.3Å; S270-Q272 PolarHBondContact OG-N 2.84Å; S270-Q272 PolarHBondContact OG-O 3.47Å; S270-G297 PolarHBondContact N-O 2.8Å; S270-N298 PolarHBondContact O-N 2.84Å
271	S	91.6	Very high	96.7	Very high	14 Å²	14	26.7 Å²	26.7	10%	0.098	14%	0.141	C	C	.	.	S	Bend	trans	-60.9	-34.3	169.8	56.7	0	0	0	0	112.2	M320 R424	S271-M320 WeakPolarHBondContact O-CG 3.27Å; S271-R424 WeakPolarHBondContact CB-O 3.44Å; S271-R424 PolarHBondContact N-O 2.96Å; S271-R424 VanDerWaalsContact N-O 3.09Å; S271-R424 PolarHBondContact OG-O 3.11Å
272	Q	95.3	Very high	96.8	Very high	55 Å²	55	26.3 Å²	26.3	26%	0.257	14%	0.138	S	C	.	.	S	Bend	trans	-138.5	100.1	177.6	-158	-68.6	82.2	0	0	108.2	S270 N274 M320	S270-Q272 PolarHBondContact O-N 3.38Å; S270-Q272 VanDerWaalsContact OG-C 3.3Å; S270-Q272 PolarHBondContact OG-N 2.84Å; S270-Q272 PolarHBondContact OG-O 3.47Å; Q272-N274 VanDerWaalsContact C-N 3.35Å; Q272-N274 PolarHBondContact NE2-O 3.29Å; Q272-N274 PolarHBondContact O-N 2.96Å; Q272-N274 VanDerWaalsContact OE1-CB 3.23Å; Q272-M320 HydrophobicContact CB-CE 4.02Å; Q272-M320 HydrophobicContact CB-SD 4.34Å; Q272-M320 HydrophobicContact CG-CE 4.18Å; Q272-M320 HydrophobicContact CG-SD 4.16Å
273	G	96.1	Very high	96.9	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.146	C	C	.	.			trans	-77.8	-11.9	-168	0	0	0	0	0	116	S275 Q278 G297 N298	G273-S275 VanDerWaalsContact C-N 3.34Å; G273-S275 PolarHBondContact O-N 3.2Å; G273-Q278 VanDerWaalsContact O-CB 3.3Å; G273-Q278 WeakPolarHBondContact O-CB 3.32Å; G273-Q278 VanDerWaalsContact O-CD 3.28Å; G273-Q278 PolarHBondContact O-NE2 3.44Å; G273-G297 VanDerWaalsContact CA-O 3.3Å; G273-G297 WeakPolarHBondContact CA-O 3.38Å; G273-N298 PolarHBondContact N-O 3.34Å
274	N	97.4	Very high	96.9	Very high	46 Å²	46	34 Å²	34	25%	0.246	16%	0.16	C	C	.	.			trans	-84.7	78.9	177.1	-174.3	42.6	0	0	0	110.4	Q272 Q304 N307	Q272-N274 VanDerWaalsContact C-N 3.35Å; Q272-N274 PolarHBondContact NE2-O 3.29Å; Q272-N274 PolarHBondContact O-N 2.96Å; Q272-N274 VanDerWaalsContact OE1-CB 3.23Å; N274-Q304 HydrophobicContact CB-CB 3.86Å; N274-Q304 HydrophobicContact CB-CG 3.58Å; N274-N307 WeakPolarHBondContact OD1-CB 3.29Å; N274-N307 PolarHBondContact OD1-ND2 3.03Å
275	S	97	Very high	96.9	Very high	21 Å²	21	33.1 Å²	33.1	15%	0.147	16%	0.155	C	C	.	.	S	Bend	trans	-135.6	154.3	175.4	70.9	0	0	0	0	110.4	G273 Y277 Q278 L279	G273-S275 VanDerWaalsContact C-N 3.34Å; G273-S275 PolarHBondContact O-N 3.2Å; S275-Y277 PolarHBondContact O-N 3.45Å; S275-Q278 PolarHBondContact O-N 2.82Å; S275-Q278 PolarHBondContact OG-N 3.29Å; S275-L279 VanDerWaalsContact O-CG 3.3Å; S275-L279 WeakPolarHBondContact O-CG 3.3Å; S275-L279 PolarHBondContact O-N 3.4Å; S275-L279 VanDerWaalsContact O-N 3.1Å
276	I	96.7	Very high	96.8	Very high	96 Å²	96	35.2 Å²	35.2	49%	0.492	16%	0.164	S	C	.	.	H	α-helix	trans	-56.6	-39.1	175.5	-171.4	58.4	0	0	0	111.4	Q278 L279 D280	I276-Q278 PolarHBondContact O-N 3.45Å; I276-L279 PolarHBondContact O-N 2.84Å; I276-D280 WeakPolarHBondContact CG1-OD2 3.25Å; I276-D280 WeakPolarHBondContact O-CB 3.21Å; I276-D280 PolarHBondContact O-N 3.35Å
277	Y	96.7	Very high	96.7	Very high	141 Å²	141	39.4 Å²	39.4	55%	0.553	19%	0.194	S	C	*	.	H	α-helix	trans	-59.6	-44	178.8	-48.6	-54.8	0	0	0	112.8	S275 M281 F426	S275-Y277 PolarHBondContact O-N 3.45Å; Y277-M281 VanDerWaalsContact O-CB 3.3Å; Y277-M281 WeakPolarHBondContact O-CB 3.38Å; Y277-M281 PolarHBondContact O-N 3.32Å; Y277-F426 AromaticContact CD2-CE1 3.84Å; Y277-F426 HydrophobicContact CD2-CE1 3.84Å; Y277-F426 HydrophobicContact CE2-CE1 4.25Å
278	Q	97.8	Very high	96.7	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-69.4	-42.8	176.8	-174	159.5	148.6	0	0	111.5	T247 I268 G273 S275 I276 D280 M281 I282 G297 L308	T247-Q278 HydrophobicContact CG2-CB 3.72Å; T247-Q278 HydrophobicContact CG2-CG 4.24Å; I268-Q278 HydrophobicContact CB-CG 4.31Å; I268-Q278 HydrophobicContact CD1-CG 4.28Å; I268-Q278 HydrophobicContact CG2-CG 3.85Å; G273-Q278 VanDerWaalsContact O-CB 3.3Å; G273-Q278 WeakPolarHBondContact O-CB 3.32Å; G273-Q278 VanDerWaalsContact O-CD 3.28Å; G273-Q278 PolarHBondContact O-NE2 3.44Å; S275-Q278 PolarHBondContact O-N 2.82Å; S275-Q278 PolarHBondContact OG-N 3.29Å; I276-Q278 PolarHBondContact O-N 3.45Å; Q278-D280 VanDerWaalsContact C-N 3.31Å; Q278-D280 PolarHBondContact O-N 2.84Å; Q278-M281 PolarHBondContact O-N 2.71Å; Q278-I282 HydrophobicContact CG-CD1 3.84Å; Q278-I282 HydrophobicContact CG-CG1 4.36Å; Q278-I282 WeakPolarHBondContact O-CD1 3.5Å; Q278-I282 WeakPolarHBondContact O-CG1 3.47Å; Q278-I282 PolarHBondContact O-N 3.42Å; Q278-G297 PolarHBondContact NE2-O 3.34Å; Q278-G297 PolarHBondContact OE1-O 3.08Å; Q278-L308 HydrophobicContact CG-CD2 4.13Å
279	L	98	Very high	96.7	Very high	27 Å²	27	45.1 Å²	45.1	14%	0.141	23%	0.225	C	C	.	.	H	α-helix	trans	-60.5	-42.7	179.2	-63	173.4	0	0	0	111.4	S275 I276 I282 K283 N307 L308 A311	S275-L279 VanDerWaalsContact O-CG 3.3Å; S275-L279 WeakPolarHBondContact O-CG 3.3Å; S275-L279 PolarHBondContact O-N 3.4Å; S275-L279 VanDerWaalsContact O-N 3.1Å; I276-L279 PolarHBondContact O-N 2.84Å; L279-I282 PolarHBondContact O-N 2.88Å; L279-K283 WeakPolarHBondContact O-CG 3.37Å; L279-K283 PolarHBondContact O-N 3.21Å; L279-K283 VanDerWaalsContact O-N 3.12Å; L279-N307 HydrophobicContact CD2-CB 4.11Å; L279-N307 VanDerWaalsContact CD2-O 3.25Å; L279-N307 WeakPolarHBondContact CD2-O 3.43Å; L279-L308 HydrophobicContact CD2-CD2 3.83Å; L279-A311 HydrophobicContact CB-CB 4.47Å; L279-A311 HydrophobicContact CD2-CB 3.68Å
280	D	97.3	Very high	96.8	Very high	77 Å²	77	48.7 Å²	48.7	41%	0.412	25%	0.248	S	C	.	.	H	α-helix	trans	-71.8	-38.5	179	-68.1	-16.4	0	0	0	111.8	I276 Q278 I282 K283 R284	I276-D280 WeakPolarHBondContact CG1-OD2 3.25Å; I276-D280 WeakPolarHBondContact O-CB 3.21Å; I276-D280 PolarHBondContact O-N 3.35Å; Q278-D280 VanDerWaalsContact C-N 3.31Å; Q278-D280 PolarHBondContact O-N 2.84Å; D280-I282 PolarHBondContact O-N 3.02Å; D280-K283 PolarHBondContact O-N 3.04Å; D280-K283 IonicContact OD1-NZ 3.84Å; D280-R284 VanDerWaalsContact O-CB 3.28Å; D280-R284 WeakPolarHBondContact O-CB 3.43Å; D280-R284 PolarHBondContact O-N 2.95Å
281	M	97.5	Very high	96.9	Very high	8 Å²	8	54.5 Å²	54.5	4%	0.039	28%	0.279	C	S	.	.	H	α-helix	trans	-59.4	-45.6	171.9	-178.7	60	77.8	0	0	111.5	I245 Q248 D251 F252 I268 Y277 Q278 K283 R284 V285	I245-M281 HydrophobicContact CD1-CG 4.12Å; I245-M281 HydrophobicContact CD1-SD 4.28Å; Q248-M281 WeakPolarHBondContact O-CE 3.16Å; D251-M281 HydrophobicContact CB-CE 4.49Å; F252-M281 HydrophobicContact CD2-SD 4.21Å; I268-M281 HydrophobicContact CD1-CB 4.38Å; I268-M281 HydrophobicContact CD1-CG 3.95Å; Y277-M281 VanDerWaalsContact O-CB 3.3Å; Y277-M281 WeakPolarHBondContact O-CB 3.38Å; Y277-M281 PolarHBondContact O-N 3.32Å; Q278-M281 PolarHBondContact O-N 2.71Å; M281-K283 PolarHBondContact O-N 3.41Å; M281-R284 PolarHBondContact O-N 2.79Å; M281-V285 HydrophobicContact CG-CG2 4.3Å; M281-V285 WeakPolarHBondContact O-CB 3.42Å; M281-V285 VanDerWaalsContact O-CG2 3.27Å; M281-V285 WeakPolarHBondContact O-CG2 3.26Å; M281-V285 PolarHBondContact O-N 3.02Å; M281-V285 HydrophobicContact SD-CG2 3.79Å
282	I	98	Very high	97.2	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-57.9	-52.7	177.1	-66.2	157.8	0	0	0	110	I268 Q278 L279 D280 R284 V285 K286 I294 L308 A311 V313	I268-I282 HydrophobicContact CD1-CD1 4.39Å; I268-I282 HydrophobicContact CD1-CG1 3.46Å; I268-I282 VanDerWaalsContact CD1-CG1 3.46Å; Q278-I282 HydrophobicContact CG-CD1 3.84Å; Q278-I282 HydrophobicContact CG-CG1 4.36Å; Q278-I282 WeakPolarHBondContact O-CD1 3.5Å; Q278-I282 WeakPolarHBondContact O-CG1 3.47Å; Q278-I282 PolarHBondContact O-N 3.42Å; L279-I282 PolarHBondContact O-N 2.88Å; D280-I282 PolarHBondContact O-N 3.02Å; I282-R284 VanDerWaalsContact C-N 3.33Å; I282-R284 PolarHBondContact O-N 3.38Å; I282-V285 PolarHBondContact O-N 3.16Å; I282-K286 HydrophobicContact CG2-CG 4.36Å; I282-K286 WeakPolarHBondContact O-CG 3.24Å; I282-K286 PolarHBondContact O-N 3.21Å; I282-I294 HydrophobicContact CG1-CG2 4.39Å; I282-I294 HydrophobicContact CG2-CD1 4.41Å; I282-L308 HydrophobicContact CD1-CD2 3.76Å; I282-A311 HydrophobicContact CB-CB 4.26Å; I282-A311 HydrophobicContact CD1-CB 4.22Å; I282-A311 HydrophobicContact CG2-CB 4.08Å; I282-A311 VanDerWaalsContact CG2-O 3.3Å; I282-A311 WeakPolarHBondContact CG2-O 3.44Å; I282-V313 HydrophobicContact CD1-CG1 3.45Å; I282-V313 VanDerWaalsContact CD1-CG1 3.45Å; I282-V313 HydrophobicContact CG1-CG1 3.99Å; I282-V313 HydrophobicContact CG2-CG1 4.08Å
283	K	97.6	Very high	97.3	Very high	109 Å²	109	52.6 Å²	52.6	47%	0.474	27%	0.269	S	S	.	.	H	α-helix	trans	-58.9	-44.8	-179.8	-69.3	168.6	-171.6	167.6	0	111.7	L279 D280 M281 K286 S287	L279-K283 WeakPolarHBondContact O-CG 3.37Å; L279-K283 PolarHBondContact O-N 3.21Å; L279-K283 VanDerWaalsContact O-N 3.12Å; D280-K283 PolarHBondContact O-N 3.04Å; D280-K283 IonicContact OD1-NZ 3.84Å; M281-K283 PolarHBondContact O-N 3.41Å; K283-K286 PolarHBondContact O-N 3.37Å; K283-S287 WeakPolarHBondContact O-CB 3.48Å; K283-S287 PolarHBondContact O-N 2.92Å
284	R	97.2	Very high	97.4	Very high	94 Å²	94	52.7 Å²	52.7	36%	0.355	27%	0.269	S	S	.	.	H	α-helix	trans	-61.8	-49.7	179	-172.7	-179.3	172.8	154.4	-4.2	111.1	E249 F252 D280 M281 I282 K286 S287 V288	E249-R284 IonicContact OE1-NH1 3.52Å; E249-R284 PolarHBondContact OE1-NH1 3.31Å; F252-R284 HydrophobicContact CD2-CG 3.86Å; F252-R284 HydrophobicContact CE2-CB 4.4Å; F252-R284 HydrophobicContact CE2-CG 3.57Å; F252-R284 VanDerWaalsContact CG-NE 3.31Å; F252-R284 HydrophobicContact CZ-CG 4.13Å; D280-R284 VanDerWaalsContact O-CB 3.28Å; D280-R284 WeakPolarHBondContact O-CB 3.43Å; D280-R284 PolarHBondContact O-N 2.95Å; M281-R284 PolarHBondContact O-N 2.79Å; I282-R284 VanDerWaalsContact C-N 3.33Å; I282-R284 PolarHBondContact O-N 3.38Å; R284-K286 PolarHBondContact O-N 3.04Å; R284-S287 PolarHBondContact O-N 2.81Å; R284-S287 PolarHBondContact O-OG 3.2Å; R284-V288 PolarHBondContact O-N 3.08Å
285	V	97.5	Very high	97.5	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.006	26%	0.258	C	S	.	.	H	α-helix	trans	-61.7	-46.1	178.4	176.6	0	0	0	0	111.1	F252 V255 M281 I282 S287 V288 F289 L292 I294	F252-V285 HydrophobicContact CD2-CG2 4.26Å; F252-V285 HydrophobicContact CE2-CG2 4.04Å; V255-V285 HydrophobicContact CG1-CG1 4.19Å; V255-V285 HydrophobicContact CG1-CG2 4.2Å; V255-V285 HydrophobicContact CG2-CG2 4.07Å; M281-V285 HydrophobicContact CG-CG2 4.3Å; M281-V285 WeakPolarHBondContact O-CB 3.42Å; M281-V285 VanDerWaalsContact O-CG2 3.27Å; M281-V285 WeakPolarHBondContact O-CG2 3.26Å; M281-V285 PolarHBondContact O-N 3.02Å; M281-V285 HydrophobicContact SD-CG2 3.79Å; I282-V285 PolarHBondContact O-N 3.16Å; V285-S287 VanDerWaalsContact C-N 3.27Å; V285-S287 PolarHBondContact O-N 3.31Å; V285-V288 PolarHBondContact O-N 3.46Å; V285-F289 HydrophobicContact CG1-CD2 4.49Å; V285-F289 CarbonylContact O-C 3.53Å; V285-F289 WeakPolarHBondContact O-CA 3.36Å; V285-F289 PolarHBondContact O-N 3.17Å; V285-L292 HydrophobicContact CG1-CD2 3.78Å; V285-I294 HydrophobicContact CB-CD1 3.68Å; V285-I294 HydrophobicContact CG1-CD1 3.49Å; V285-I294 VanDerWaalsContact CG1-CD1 3.49Å; V285-I294 HydrophobicContact CG1-CG1 4.17Å
286	K	97.4	Very high	97.6	Very high	44 Å²	44	49.5 Å²	49.5	19%	0.191	25%	0.251	C	S	.	.	H	α-helix	trans	-64.6	-30	177.2	-65	-58.2	-64.2	-173.4	0	113	I282 K283 R284 P290 L292 I294 D314	I282-K286 HydrophobicContact CG2-CG 4.36Å; I282-K286 WeakPolarHBondContact O-CG 3.24Å; I282-K286 PolarHBondContact O-N 3.21Å; K283-K286 PolarHBondContact O-N 3.37Å; R284-K286 PolarHBondContact O-N 3.04Å; K286-P290 WeakPolarHBondContact CE-O 3.21Å; K286-P290 PolarHBondContact NZ-O 3.44Å; K286-P290 VanDerWaalsContact O-CA 3.27Å; K286-P290 WeakPolarHBondContact O-CA 3.49Å; K286-L292 PolarHBondContact NZ-O 3.06Å; K286-I294 HydrophobicContact CD-CD1 3.49Å; K286-I294 VanDerWaalsContact CD-CD1 3.49Å; K286-I294 HydrophobicContact CD-CG1 4Å; K286-I294 HydrophobicContact CG-CD1 3.73Å; K286-D314 IonicContact NZ-OD1 2.72Å; K286-D314 IonicContact NZ-OD2 2.69Å; K286-D314 PolarHBondContact NZ-OD2 3.36Å
287	S	97.4	Very high	97.6	Very high	89 Å²	89	44.9 Å²	44.9	62%	0.622	23%	0.227	S	C	*	.	H	α-helix	trans	-70	-35.3	177.5	74	0	0	0	0	113.3	K283 R284 V285	K283-S287 WeakPolarHBondContact O-CB 3.48Å; K283-S287 PolarHBondContact O-N 2.92Å; R284-S287 PolarHBondContact O-N 2.81Å; R284-S287 PolarHBondContact O-OG 3.2Å; V285-S287 VanDerWaalsContact C-N 3.27Å; V285-S287 PolarHBondContact O-N 3.31Å
288	V	97.6	Very high	97.7	Very high	76 Å²	76	38.5 Å²	38.5	46%	0.461	20%	0.203	S	C	.	.	H	α-helix	trans	-92.1	-37.1	-178.7	179.9	0	0	0	0	111.6	F252 R284 V285 P290	F252-V288 HydrophobicContact CZ-CB 3.99Å; F252-V288 HydrophobicContact CZ-CG1 4.22Å; F252-V288 HydrophobicContact CZ-CG2 3.75Å; R284-V288 PolarHBondContact O-N 3.08Å; V285-V288 PolarHBondContact O-N 3.46Å; V288-P290 WeakPolarHBondContact O-CD 3.41Å
289	F	97.6	Very high	97.7	Very high	44 Å²	44	38.5 Å²	38.5	19%	0.193	20%	0.203	C	C	.	.			trans	-125.8	73.2	-177.9	-54.9	-68.7	0	0	0	110.4	F252 V255 N256 V259 V285 D291 L292	F252-F289 HydrophobicContact CZ-CE2 4.33Å; V255-F289 HydrophobicContact CG1-CD2 3.98Å; V255-F289 HydrophobicContact CG1-CE2 3.9Å; N256-F289 WeakPolarHBondContact OD1-CE2 3.46Å; N256-F289 VanDerWaalsContact OD1-CZ 3.22Å; N256-F289 WeakPolarHBondContact OD1-CZ 3.28Å; V259-F289 HydrophobicContact CB-CE1 4.26Å; V259-F289 HydrophobicContact CB-CZ 4.36Å; V259-F289 HydrophobicContact CG1-CD1 3.97Å; V259-F289 HydrophobicContact CG1-CE1 3.78Å; V259-F289 HydrophobicContact CG1-CZ 4.37Å; V259-F289 HydrophobicContact CG2-CD1 4.26Å; V259-F289 HydrophobicContact CG2-CD2 4.23Å; V259-F289 HydrophobicContact CG2-CE1 4.28Å; V259-F289 HydrophobicContact CG2-CE2 4.26Å; V259-F289 HydrophobicContact CG2-CG 4.23Å; V259-F289 HydrophobicContact CG2-CZ 4.27Å; V285-F289 HydrophobicContact CG1-CD2 4.49Å; V285-F289 CarbonylContact O-C 3.53Å; V285-F289 WeakPolarHBondContact O-CA 3.36Å; V285-F289 PolarHBondContact O-N 3.17Å; F289-D291 PolarHBondContact O-N 2.98Å; F289-L292 HydrophobicContact CB-CB 3.73Å; F289-L292 HydrophobicContact CB-CD2 4.17Å; F289-L292 WeakPolarHBondContact O-CB 3.24Å; F289-L292 PolarHBondContact O-N 2.77Å; F289-L292 VanDerWaalsContact O-N 3.13Å
290	P	97	Very high	97.7	Very high	80 Å²	80	37.5 Å²	37.5	52%	0.519	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-32.8	-174.3	22.4	-33.7	0	0	0	113.7	K286 V288	K286-P290 WeakPolarHBondContact CE-O 3.21Å; K286-P290 PolarHBondContact NZ-O 3.44Å; K286-P290 VanDerWaalsContact O-CA 3.27Å; K286-P290 WeakPolarHBondContact O-CA 3.49Å; V288-P290 WeakPolarHBondContact O-CD 3.41Å
291	D	95.7	Very high	97.7	Very high	122 Å²	122	36.1 Å²	36.1	65%	0.652	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-16.6	-178.9	-64.9	-39.1	0	0	0	113.9	F289 Q293	F289-D291 PolarHBondContact O-N 2.98Å; D291-Q293 PolarHBondContact O-N 3.37Å; D291-Q293 PolarHBondContact O-NE2 3.31Å
292	L	97.8	Very high	97.7	Very high	16 Å²	16	37.8 Å²	37.8	8%	0.084	20%	0.204	C	C	.	.	S	Bend	trans	-68.2	132.6	179.7	-175.2	63.1	0	0	0	109.8	V255 V259 V263 I266 V285 K286 F289	V255-L292 HydrophobicContact CG1-CD2 4.25Å; V259-L292 HydrophobicContact CG2-CD1 4.48Å; V259-L292 HydrophobicContact CG2-CD2 3.74Å; V263-L292 HydrophobicContact CG1-CD1 4.18Å; I266-L292 HydrophobicContact CG1-CD1 4.36Å; I266-L292 HydrophobicContact CG1-CD2 3.79Å; I266-L292 HydrophobicContact CG1-CG 4.29Å; V285-L292 HydrophobicContact CG1-CD2 3.78Å; K286-L292 PolarHBondContact NZ-O 3.06Å; F289-L292 HydrophobicContact CB-CB 3.73Å; F289-L292 HydrophobicContact CB-CD2 4.17Å; F289-L292 WeakPolarHBondContact O-CB 3.24Å; F289-L292 PolarHBondContact O-N 2.77Å; F289-L292 VanDerWaalsContact O-N 3.13Å
293	Q	98.3	Very high	97.7	Very high	14 Å²	14	40.9 Å²	40.9	7%	0.065	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	129.6	-179.7	-62.9	-64.9	-78.5	0	0	110.4	C51 R53 F54 I265 I266 D291 D314	C51-Q293 PolarHBondContact SG-OE1 2.86Å; R53-Q293 HydrophobicContact CB-CG 3.85Å; F54-Q293 HydrophobicContact CD2-CB 4.41Å; F54-Q293 HydrophobicContact CD2-CG 3.83Å; F54-Q293 HydrophobicContact CE2-CB 4.43Å; F54-Q293 HydrophobicContact CE2-CG 3.76Å; I265-Q293 WeakPolarHBondContact CA-O 3.37Å; I265-Q293 HydrophobicContact CG1-CB 4.23Å; I265-Q293 HydrophobicContact CG2-CB 4.25Å; I266-Q293 PolarHBondContact N-O 3.3Å; D291-Q293 PolarHBondContact O-N 3.37Å; D291-Q293 PolarHBondContact O-NE2 3.31Å; Q293-D314 WeakPolarHBondContact CA-OD2 3.28Å
294	I	98.6	Very high	97.7	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.005	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	127.5	-178.8	-52.9	179.5	0	0	0	110.6	I266 I268 I282 V285 K286 D314 G315	I266-I294 CarbonylContact O-C 3.49Å; I266-I294 WeakPolarHBondContact O-CA 3.18Å; I268-I294 HydrophobicContact CD1-CG2 3.88Å; I268-I294 HydrophobicContact CG1-CG2 4.07Å; I282-I294 HydrophobicContact CG1-CG2 4.39Å; I282-I294 HydrophobicContact CG2-CD1 4.41Å; V285-I294 HydrophobicContact CB-CD1 3.68Å; V285-I294 HydrophobicContact CG1-CD1 3.49Å; V285-I294 VanDerWaalsContact CG1-CD1 3.49Å; V285-I294 HydrophobicContact CG1-CG1 4.17Å; K286-I294 HydrophobicContact CD-CD1 3.49Å; K286-I294 VanDerWaalsContact CD-CD1 3.49Å; K286-I294 HydrophobicContact CD-CG1 4Å; K286-I294 HydrophobicContact CG-CD1 3.73Å; I294-D314 PolarHBondContact N-OD2 3.39Å; I294-D314 VanDerWaalsContact N-OD2 3.11Å; I294-D314 WeakPolarHBondContact O-CA 3.47Å; I294-D314 PolarHBondContact O-N 3.49Å; I294-G315 PolarHBondContact O-N 2.92Å
295	I	98.8	Very high	97.8	Very high	0 Å²	0	32 Å²	32	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	118.2	167.3	-65.4	161.4	0	0	0	108.2	I50 C51 F85 I265 I266 V267 I268 G315 R317 I357	I50-I295 HydrophobicContact CG1-CD1 4.35Å; C51-I295 HydrophobicContact CB-CG1 4.47Å; F85-I295 HydrophobicContact CE1-CD1 3.96Å; F85-I295 HydrophobicContact CZ-CD1 3.63Å; I265-I295 HydrophobicContact CG2-CD1 3.52Å; I265-I295 HydrophobicContact CG2-CG1 3.91Å; I266-I295 PolarHBondContact O-N 2.87Å; V267-I295 WeakPolarHBondContact CA-O 3.48Å; V267-I295 HydrophobicContact CG2-CB 3.79Å; V267-I295 HydrophobicContact CG2-CD1 3.89Å; V267-I295 HydrophobicContact CG2-CG1 4.45Å; V267-I295 HydrophobicContact CG2-CG2 4.05Å; I268-I295 PolarHBondContact N-O 3.36Å; I295-G315 WeakPolarHBondContact CA-O 3.23Å; I295-R317 HydrophobicContact CG2-CB 3.91Å; I295-I357 HydrophobicContact CD1-CD1 3.62Å; I295-I357 HydrophobicContact CG1-CD1 4.32Å; I295-I357 HydrophobicContact CG2-CD1 4.01Å
296	G	98.5	Very high	97.8	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	148.2	175.6	0	0	0	0	0	112.4	G315 L316 R317	G296-G315 PolarHBondContact N-O 3.29Å; G296-L316 WeakPolarHBondContact O-CA 3.25Å; G296-R317 PolarHBondContact O-N 3.09Å
297	G	97.3	Very high	97.9	Very high	0 Å²	0	37 Å²	37	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171.5	-178.6	178.3	0	0	0	0	0	115	I268 S270 G273 Q278	I268-G297 VanDerWaalsContact O-O 3.1Å; S270-G297 PolarHBondContact N-O 2.8Å; G273-G297 VanDerWaalsContact CA-O 3.3Å; G273-G297 WeakPolarHBondContact CA-O 3.38Å; Q278-G297 PolarHBondContact NE2-O 3.34Å; Q278-G297 PolarHBondContact OE1-O 3.08Å
298	N	98	Very high	97.9	Very high	6 Å²	6	32.7 Å²	32.7	3%	0.032	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	cis	-85.7	146.1	-6	-74.7	28.7	0	0	0	111.5	S270 G273 R317 G319 D359	S270-N298 PolarHBondContact O-N 2.84Å; G273-N298 PolarHBondContact N-O 3.34Å; N298-R317 WeakPolarHBondContact CA-O 3.4Å; N298-R317 WeakPolarHBondContact OD1-CD 3.23Å; N298-R317 WeakPolarHBondContact OD1-CG 3.47Å; N298-R317 PolarHBondContact OD1-NE 3.41Å; N298-G319 WeakPolarHBondContact CB-O 3.38Å; N298-G319 PolarHBondContact ND2-O 3.08Å; N298-D359 PolarHBondContact ND2-OD2 3.49Å
299	V	98.4	Very high	98	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	156.5	175.5	-58.8	0	0	0	0	111.3	Q304 L308 L316 R317 V318 G319 V345	V299-Q304 HydrophobicContact CB-CB 3.77Å; V299-Q304 HydrophobicContact CG1-CB 3.63Å; V299-L308 HydrophobicContact CG1-CD1 3.34Å; V299-L308 HydrophobicContact CG1-CG 4.24Å; V299-L316 HydrophobicContact CG2-CD2 4.41Å; V299-R317 PolarHBondContact N-O 2.96Å; V299-V318 HydrophobicContact CG2-CG2 3.94Å; V299-V318 VanDerWaalsContact O-CA 3.28Å; V299-V318 WeakPolarHBondContact O-CA 3.22Å; V299-V318 WeakPolarHBondContact O-CG1 3.11Å; V299-G319 PolarHBondContact O-N 3.48Å; V299-V345 HydrophobicContact CG2-CG1 4.18Å; V299-V345 HydrophobicContact CG2-CG2 4.38Å
300	V	98.3	Very high	98	Very high	7 Å²	7	32.1 Å²	32.1	4%	0.042	18%	0.184	C	C	.	.			trans	-135.3	-0.1	175.5	-67.3	0	0	0	0	113.7	M320 R336 A341	V300-M320 HydrophobicContact CG1-CB 3.55Å; V300-R336 HydrophobicContact CB-CB 3.75Å; V300-R336 HydrophobicContact CG1-CB 4.17Å; V300-R336 HydrophobicContact CG2-CB 4.01Å; V300-R336 WeakPolarHBondContact O-CD 3.22Å; V300-R336 PolarHBondContact O-NH1 2.85Å; V300-A341 HydrophobicContact CB-CB 4.05Å; V300-A341 HydrophobicContact CG1-CB 4.15Å
301	T	98	Very high	98.1	Very high	47 Å²	47	28.9 Å²	28.9	29%	0.288	17%	0.165	S	C	.	.	S	Bend	trans	-134.9	157.2	-177.7	68.2	0	0	0	0	112.8	A303 Q304 A305	T301-A303 VanDerWaalsContact C-N 3.27Å; T301-A303 PolarHBondContact O-N 2.74Å; T301-Q304 PolarHBondContact O-N 3.35Å; T301-Q304 VanDerWaalsContact OG1-CG 3.24Å; T301-Q304 WeakPolarHBondContact OG1-CG 3.41Å; T301-Q304 PolarHBondContact OG1-N 2.85Å; T301-Q304 PolarHBondContact OG1-OE1 3.39Å; T301-A305 PolarHBondContact O-N 3.18Å; T301-A305 VanDerWaalsContact O-N 3.08Å
302	C	96.9	Very high	98.2	Very high	43 Å²	43	24.4 Å²	24.4	29%	0.291	15%	0.147	S	C	.	.	H	α-helix	trans	-61.8	-34.5	175.9	-50.8	0	0	0	0	112.3	A305 K306 K344 Y348	C302-A305 PolarHBondContact O-N 3.3Å; C302-K306 WeakPolarHBondContact O-CB 3.47Å; C302-K306 PolarHBondContact O-N 3.46Å; C302-K344 PolarHBondContact SG-O 3.24Å; C302-Y348 HydrophobicContact CB-CD2 4.28Å; C302-Y348 HydrophobicContact CB-CG 4.22Å
303	A	97.8	Very high	98.2	Very high	65 Å²	65	23.6 Å²	23.6	54%	0.537	14%	0.143	S	C	.	.	H	α-helix	trans	-65.2	-43.9	179.7	0	0	0	0	0	111.9	T301 K306 N307	T301-A303 VanDerWaalsContact C-N 3.27Å; T301-A303 PolarHBondContact O-N 2.74Å; A303-K306 PolarHBondContact O-N 2.95Å; A303-N307 PolarHBondContact O-N 3.25Å
304	Q	98.4	Very high	98.2	Very high	18 Å²	18	23.6 Å²	23.6	8%	0.084	14%	0.143	C	C	.	.	H	α-helix	trans	-64.4	-44.2	174.1	-64.5	168.7	-59.8	0	0	111	N274 V299 T301 K306 N307 L308	N274-Q304 HydrophobicContact CB-CB 3.86Å; N274-Q304 HydrophobicContact CB-CG 3.58Å; V299-Q304 HydrophobicContact CB-CB 3.77Å; V299-Q304 HydrophobicContact CG1-CB 3.63Å; T301-Q304 PolarHBondContact O-N 3.35Å; T301-Q304 VanDerWaalsContact OG1-CG 3.24Å; T301-Q304 WeakPolarHBondContact OG1-CG 3.41Å; T301-Q304 PolarHBondContact OG1-N 2.85Å; T301-Q304 PolarHBondContact OG1-OE1 3.39Å; Q304-K306 VanDerWaalsContact C-N 3.34Å; Q304-K306 PolarHBondContact O-N 2.69Å; Q304-N307 PolarHBondContact O-N 3.35Å; Q304-L308 PolarHBondContact O-N 3.04Å
305	A	98.5	Very high	98.2	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-59	-44.1	177.4	0	0	0	0	0	111.9	T301 C302 N307 L308 I309 L316 V345 Y348	T301-A305 PolarHBondContact O-N 3.18Å; T301-A305 VanDerWaalsContact O-N 3.08Å; C302-A305 PolarHBondContact O-N 3.3Å; A305-N307 PolarHBondContact O-N 3.26Å; A305-L308 PolarHBondContact O-N 3.13Å; A305-I309 WeakPolarHBondContact O-CB 3.31Å; A305-I309 WeakPolarHBondContact O-CG1 3.4Å; A305-I309 PolarHBondContact O-N 2.91Å; A305-L316 HydrophobicContact CB-CD1 3.76Å; A305-V345 HydrophobicContact CB-CG1 3.83Å; A305-Y348 HydrophobicContact CB-CD1 4.28Å
306	K	98.4	Very high	98.2	Very high	89 Å²	89	23.5 Å²	23.5	39%	0.387	14%	0.143	S	C	.	.	H	α-helix	trans	-53.4	-53.1	175.6	177.1	177.7	-174.7	-53.8	0	111.6	C302 A303 Q304 L308 I309 D310 Y348	C302-K306 WeakPolarHBondContact O-CB 3.47Å; C302-K306 PolarHBondContact O-N 3.46Å; A303-K306 PolarHBondContact O-N 2.95Å; Q304-K306 VanDerWaalsContact C-N 3.34Å; Q304-K306 PolarHBondContact O-N 2.69Å; K306-L308 VanDerWaalsContact C-N 3.33Å; K306-L308 PolarHBondContact O-N 3.41Å; K306-I309 PolarHBondContact O-N 2.91Å; K306-D310 WeakPolarHBondContact CG-OD2 3.34Å; K306-D310 IonicContact NZ-OD2 3.87Å; K306-D310 PolarHBondContact NZ-OD2 3.36Å; K306-D310 WeakPolarHBondContact O-CB 3.34Å; K306-D310 PolarHBondContact O-N 2.79Å; K306-Y348 HydrophobicContact CB-CE1 3.83Å; K306-Y348 WeakPolarHBondContact CB-OH 3.31Å; K306-Y348 VanDerWaalsContact CG-OH 3.26Å; K306-Y348 WeakPolarHBondContact CG-OH 3.31Å
307	N	98.5	Very high	98.3	Very high	59 Å²	59	23.6 Å²	23.6	32%	0.316	14%	0.143	S	C	.	.	H	α-helix	trans	-61.9	-41.1	-176.4	-68.3	-8.9	0	0	0	112.3	N274 L279 A303 Q304 A305 A311	N274-N307 WeakPolarHBondContact OD1-CB 3.29Å; N274-N307 PolarHBondContact OD1-ND2 3.03Å; L279-N307 HydrophobicContact CD2-CB 4.11Å; L279-N307 VanDerWaalsContact CD2-O 3.25Å; L279-N307 WeakPolarHBondContact CD2-O 3.43Å; A303-N307 PolarHBondContact O-N 3.25Å; Q304-N307 PolarHBondContact O-N 3.35Å; A305-N307 PolarHBondContact O-N 3.26Å; N307-A311 WeakPolarHBondContact O-CB 3.41Å; N307-A311 PolarHBondContact O-N 2.9Å
308	L	98.6	Very high	98.3	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-68.2	-41.7	176.9	-64.8	-171.9	0	0	0	112.3	Q278 L279 I282 V299 Q304 A305 K306 A311 G312 V313 L316	Q278-L308 HydrophobicContact CG-CD2 4.13Å; L279-L308 HydrophobicContact CD2-CD2 3.83Å; I282-L308 HydrophobicContact CD1-CD2 3.76Å; V299-L308 HydrophobicContact CG1-CD1 3.34Å; V299-L308 HydrophobicContact CG1-CG 4.24Å; Q304-L308 PolarHBondContact O-N 3.04Å; A305-L308 PolarHBondContact O-N 3.13Å; K306-L308 VanDerWaalsContact C-N 3.33Å; K306-L308 PolarHBondContact O-N 3.41Å; L308-A311 PolarHBondContact O-N 3.02Å; L308-G312 PolarHBondContact O-N 2.7Å; L308-V313 HydrophobicContact CB-CG1 4.13Å; L308-V313 HydrophobicContact CB-CG2 4.14Å; L308-V313 WeakPolarHBondContact O-CG1 3.4Å; L308-V313 WeakPolarHBondContact O-CG2 3.25Å; L308-V313 PolarHBondContact O-N 2.9Å; L308-L316 HydrophobicContact CB-CD2 3.84Å; L308-L316 HydrophobicContact CD1-CD2 3.84Å; L308-L316 HydrophobicContact CG-CD2 4.47Å
309	I	98.5	Very high	98.3	Very high	16 Å²	16	23.4 Å²	23.4	8%	0.082	14%	0.143	C	C	.	.	H	α-helix	trans	-61	-47.1	175.8	-69.7	172.7	0	0	0	110.4	A305 K306 A311 G312 V313 L316 Y348 A349 Y352 V354	A305-I309 WeakPolarHBondContact O-CB 3.31Å; A305-I309 WeakPolarHBondContact O-CG1 3.4Å; A305-I309 PolarHBondContact O-N 2.91Å; K306-I309 PolarHBondContact O-N 2.91Å; I309-A311 PolarHBondContact O-N 3.04Å; I309-G312 PolarHBondContact O-N 3.01Å; I309-V313 HydrophobicContact CG1-CG2 4.29Å; I309-L316 HydrophobicContact CD1-CD1 3.89Å; I309-L316 HydrophobicContact CG1-CD1 4.03Å; I309-Y348 HydrophobicContact CD1-CD1 4.12Å; I309-Y348 HydrophobicContact CD1-CE1 4.08Å; I309-A349 HydrophobicContact CD1-CB 4.12Å; I309-Y352 HydrophobicContact CD1-CD2 4.23Å; I309-Y352 HydrophobicContact CG2-CD1 4.1Å; I309-Y352 HydrophobicContact CG2-CD2 4.29Å; I309-Y352 HydrophobicContact CG2-CG 3.88Å; I309-V354 HydrophobicContact CD1-CB 4.27Å; I309-V354 HydrophobicContact CD1-CG1 4.45Å; I309-V354 HydrophobicContact CD1-CG2 4.26Å; I309-V354 HydrophobicContact CG1-CB 4.39Å; I309-V354 HydrophobicContact CG1-CG1 4.26Å; I309-V354 HydrophobicContact CG1-CG2 4.08Å; I309-V354 HydrophobicContact CG2-CG2 4.35Å
310	D	98.2	Very high	98.2	Very high	91 Å²	91	24.1 Å²	24.1	49%	0.487	15%	0.146	S	C	.	.	H	α-helix	trans	-63.6	-29.5	178.5	-66.6	-13.3	0	0	0	112.1	K306 G312	K306-D310 WeakPolarHBondContact CG-OD2 3.34Å; K306-D310 IonicContact NZ-OD2 3.87Å; K306-D310 PolarHBondContact NZ-OD2 3.36Å; K306-D310 WeakPolarHBondContact O-CB 3.34Å; K306-D310 PolarHBondContact O-N 2.79Å; D310-G312 VanDerWaalsContact C-N 3.28Å; D310-G312 PolarHBondContact O-N 2.87Å
311	A	98.1	Very high	97.9	Very high	13 Å²	13	24.5 Å²	24.5	11%	0.107	15%	0.152	C	C	.	.	H	α-helix	trans	-73.7	-16.7	173.8	0	0	0	0	0	113.7	L279 I282 N307 L308 I309	L279-A311 HydrophobicContact CB-CB 4.47Å; L279-A311 HydrophobicContact CD2-CB 3.68Å; I282-A311 HydrophobicContact CB-CB 4.26Å; I282-A311 HydrophobicContact CD1-CB 4.22Å; I282-A311 HydrophobicContact CG2-CB 4.08Å; I282-A311 VanDerWaalsContact CG2-O 3.3Å; I282-A311 WeakPolarHBondContact CG2-O 3.44Å; N307-A311 WeakPolarHBondContact O-CB 3.41Å; N307-A311 PolarHBondContact O-N 2.9Å; L308-A311 PolarHBondContact O-N 3.02Å; I309-A311 PolarHBondContact O-N 3.04Å
312	G	98	Very high	97.6	Very high	27 Å²	27	23.5 Å²	23.5	28%	0.278	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	108.1	26	173.5	0	0	0	0	0	115.8	L308 I309 D310	L308-G312 PolarHBondContact O-N 2.7Å; I309-G312 PolarHBondContact O-N 3.01Å; D310-G312 VanDerWaalsContact C-N 3.28Å; D310-G312 PolarHBondContact O-N 2.87Å
313	V	98.5	Very high	97.2	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	15%	0.146	C	C	.	.			trans	-66.4	148.8	173	-57.7	0	0	0	0	112.2	I282 L308 I309 L316	I282-V313 HydrophobicContact CD1-CG1 3.45Å; I282-V313 VanDerWaalsContact CD1-CG1 3.45Å; I282-V313 HydrophobicContact CG1-CG1 3.99Å; I282-V313 HydrophobicContact CG2-CG1 4.08Å; L308-V313 HydrophobicContact CB-CG1 4.13Å; L308-V313 HydrophobicContact CB-CG2 4.14Å; L308-V313 WeakPolarHBondContact O-CG1 3.4Å; L308-V313 WeakPolarHBondContact O-CG2 3.25Å; L308-V313 PolarHBondContact O-N 2.9Å; I309-V313 HydrophobicContact CG1-CG2 4.29Å; V313-L316 HydrophobicContact CG2-CD2 3.9Å; V313-L316 HydrophobicContact CG2-CG 4.3Å
314	D	98.7	Very high	96.7	Very high	13 Å²	13	23.7 Å²	23.7	7%	0.07	15%	0.149	C	C	.	.	S	Bend	trans	-99.1	-7	177.3	-60.1	-64.4	0	0	0	112.5	C51 K52 K286 Q293 I294 P355	C51-D314 CarbonylContact C-O 3.48Å; C51-D314 WeakPolarHBondContact CA-O 3.42Å; C51-D314 HydrophobicContact CB-CB 4.16Å; C51-D314 WeakPolarHBondContact CB-O 3.1Å; K52-D314 HydrophobicContact CB-CB 4.28Å; K52-D314 HydrophobicContact CD-CB 4.48Å; K52-D314 HydrophobicContact CG-CB 4.39Å; K52-D314 PolarHBondContact N-O 2.74Å; K286-D314 IonicContact NZ-OD1 2.72Å; K286-D314 IonicContact NZ-OD2 2.69Å; K286-D314 PolarHBondContact NZ-OD2 3.36Å; Q293-D314 WeakPolarHBondContact CA-OD2 3.28Å; I294-D314 PolarHBondContact N-OD2 3.39Å; I294-D314 VanDerWaalsContact N-OD2 3.11Å; I294-D314 WeakPolarHBondContact O-CA 3.47Å; I294-D314 PolarHBondContact O-N 3.49Å; D314-P355 WeakPolarHBondContact O-CD 3.28Å
315	G	98.7	Very high	96.2	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.2	162.7	174.9	0	0	0	0	0	111.5	I294 I295 G296 P355	I294-G315 PolarHBondContact O-N 2.92Å; I295-G315 WeakPolarHBondContact CA-O 3.23Å; G296-G315 PolarHBondContact N-O 3.29Å; G315-P355 WeakPolarHBondContact CA-O 3.3Å
316	L	98.8	Very high	95.9	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	133	179.3	-73.7	172.4	0	0	0	111.8	G296 V299 A305 L308 I309 V313 V345 A349 V354 P355 V356 I357	G296-L316 WeakPolarHBondContact O-CA 3.25Å; V299-L316 HydrophobicContact CG2-CD2 4.41Å; A305-L316 HydrophobicContact CB-CD1 3.76Å; L308-L316 HydrophobicContact CB-CD2 3.84Å; L308-L316 HydrophobicContact CD1-CD2 3.84Å; L308-L316 HydrophobicContact CG-CD2 4.47Å; I309-L316 HydrophobicContact CD1-CD1 3.89Å; I309-L316 HydrophobicContact CG1-CD1 4.03Å; V313-L316 HydrophobicContact CG2-CD2 3.9Å; V313-L316 HydrophobicContact CG2-CG 4.3Å; L316-V345 HydrophobicContact CD1-CG1 3.93Å; L316-A349 HydrophobicContact CD1-CB 3.91Å; L316-V354 HydrophobicContact CD1-CG1 4.12Å; L316-V354 HydrophobicContact CG-CG1 3.88Å; L316-P355 PolarHBondContact N-O 2.86Å; L316-V356 HydrophobicContact CB-CG2 4.27Å; L316-V356 WeakPolarHBondContact O-CA 3.32Å; L316-I357 PolarHBondContact O-N 2.78Å
317	R	98.7	Very high	95.6	Very high	1 Å²	1	23.4 Å²	23.4	0%	0.004	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	118.2	171.4	-174.7	177.8	175.9	-167	0.8	110	D269 I295 G296 N298 V299 D359 M380	D269-R317 IonicContact OD1-CZ 2.7Å; D269-R317 IonicContact OD1-NH1 3.07Å; D269-R317 PolarHBondContact OD1-NH1 3.38Å; I295-R317 HydrophobicContact CG2-CB 3.91Å; G296-R317 PolarHBondContact O-N 3.09Å; N298-R317 WeakPolarHBondContact CA-O 3.4Å; N298-R317 WeakPolarHBondContact OD1-CD 3.23Å; N298-R317 WeakPolarHBondContact OD1-CG 3.47Å; N298-R317 PolarHBondContact OD1-NE 3.41Å; V299-R317 PolarHBondContact N-O 2.96Å; R317-D359 HydrophobicContact CG-CB 3.86Å; R317-D359 IonicContact CZ-OD2 3.92Å; R317-D359 IonicContact NE-OD2 2.81Å; R317-D359 PolarHBondContact NE-OD2 2.65Å; R317-D359 IonicContact NH2-OD1 2.65Å; R317-D359 IonicContact NH2-OD2 3.97Å; R317-D359 PolarHBondContact NH2-OD2 2.84Å; R317-M380 PolarHBondContact NE-SD 2.68Å; R317-M380 PolarHBondContact NH2-SD 2.79Å; R317-M380 VanDerWaalsContact NH2-SD 3.41Å
318	V	98.6	Very high	95.3	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	122.9	-170.1	179	0	0	0	0	111.1	V299 Q338 A341 V342 V345 V356 I357 D359	V299-V318 HydrophobicContact CG2-CG2 3.94Å; V299-V318 VanDerWaalsContact O-CA 3.28Å; V299-V318 WeakPolarHBondContact O-CA 3.22Å; V299-V318 WeakPolarHBondContact O-CG1 3.11Å; V318-Q338 PolarHBondContact O-NE2 3.36Å; V318-A341 HydrophobicContact CG1-CB 3.98Å; V318-V342 HydrophobicContact CG1-CG2 4.15Å; V318-V345 HydrophobicContact CG1-CB 4.33Å; V318-V345 HydrophobicContact CG1-CG2 4.24Å; V318-V345 HydrophobicContact CG2-CB 3.85Å; V318-V345 HydrophobicContact CG2-CG1 3.49Å; V318-V345 VanDerWaalsContact CG2-CG1 3.49Å; V318-V345 HydrophobicContact CG2-CG2 4.26Å; V318-V356 HydrophobicContact CB-CG1 4.07Å; V318-V356 HydrophobicContact CG2-CG1 3.5Å; V318-V356 VanDerWaalsContact CG2-CG1 3.5Å; V318-V356 HydrophobicContact CG2-CG2 4.49Å; V318-I357 PolarHBondContact N-O 3.17Å; V318-D359 PolarHBondContact O-N 3.39Å
319	G	97.7	Very high	95.1	Very high	3 Å²	3	24.5 Å²	24.5	3%	0.031	16%	0.157	C	C	.	.			trans	144.7	133	172.9	0	0	0	0	0	113.6	N298 V299	N298-G319 WeakPolarHBondContact CB-O 3.38Å; N298-G319 PolarHBondContact ND2-O 3.08Å; V299-G319 PolarHBondContact O-N 3.48Å
320	M	96.7	Very high	94.9	Very high	14 Å²	14	31.5 Å²	31.5	7%	0.069	19%	0.19	C	C	.	.	S	Bend	trans	-145.1	120.5	179.4	-173.9	178.9	-179.7	0	0	109.4	S271 Q272 V300 S322 T328 Q329 I334	S271-M320 WeakPolarHBondContact O-CG 3.27Å; Q272-M320 HydrophobicContact CB-CE 4.02Å; Q272-M320 HydrophobicContact CB-SD 4.34Å; Q272-M320 HydrophobicContact CG-CE 4.18Å; Q272-M320 HydrophobicContact CG-SD 4.16Å; V300-M320 HydrophobicContact CG1-CB 3.55Å; M320-S322 VanDerWaalsContact C-N 3.26Å; M320-S322 PolarHBondContact O-N 2.7Å; M320-T328 HydrophobicContact CE-CG2 3.8Å; M320-T328 HydrophobicContact CG-CG2 4.39Å; M320-Q329 PolarHBondContact O-NE2 3.11Å; M320-I334 HydrophobicContact CE-CB 4.01Å; M320-I334 HydrophobicContact CE-CG2 3.49Å; M320-I334 VanDerWaalsContact CE-CG2 3.49Å; M320-I334 HydrophobicContact SD-CG2 3.78Å
321	G	91.7	Very high	94.6	Very high	16 Å²	16	30.2 Å²	30.2	17%	0.165	19%	0.185	C	C	.	.	S	Bend	trans	74.9	6.1	-176.4	0	0	0	0	0	115.7	Q329	G321-Q329 PolarHBondContact O-NE2 3.05Å
322	S	92.2	Very high	94.3	Very high	25 Å²	25	31.9 Å²	31.9	18%	0.175	19%	0.194	C	C	.	.			trans	-94.2	-9.5	-177.1	57	0	0	0	0	114.1	M320 Q338 D359 G361	M320-S322 VanDerWaalsContact C-N 3.26Å; M320-S322 PolarHBondContact O-N 2.7Å; S322-Q338 PolarHBondContact OG-OE1 3.19Å; S322-D359 PolarHBondContact OG-O 3.29Å; S322-G361 VanDerWaalsContact O-CA 3.31Å; S322-G361 WeakPolarHBondContact O-CA 3.16Å; S322-G361 PolarHBondContact O-N 2.71Å
323	G	87.7	Confident	94.1	Very high	26 Å²	26	34.8 Å²	34.8	27%	0.268	22%	0.215	S	C	.	.	S	Bend	trans	-69.2	147.8	179.1	0	0	0	0	0	112.2	I325 C326	G323-I325 PolarHBondContact O-N 3.37Å; G323-C326 WeakPolarHBondContact O-CB 3.21Å; G323-C326 PolarHBondContact O-N 3.01Å; G323-C326 VanDerWaalsContact O-N 3.08Å
324	S	87	Confident	94	Very high	86 Å²	86	39.2 Å²	39.2	60%	0.601	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-9.1	-175.1	63.2	0	0	0	0	115.9
325	I	89.3	Confident	93.8	Very high	20 Å²	20	40.1 Å²	40.1	10%	0.103	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-131.2	7.2	-177.3	54.2	169.5	0	0	0	111.6	M65 G323 Y406 R407 G437 V438	M65-I325 HydrophobicContact CE-CD1 3.5Å; G323-I325 PolarHBondContact O-N 3.37Å; I325-Y406 HydrophobicContact CB-CE1 4.33Å; I325-Y406 HydrophobicContact CD1-CD1 4.22Å; I325-Y406 HydrophobicContact CD1-CD2 4.47Å; I325-Y406 HydrophobicContact CD1-CE1 3.68Å; I325-Y406 HydrophobicContact CD1-CE2 3.96Å; I325-Y406 HydrophobicContact CG1-CE1 3.98Å; I325-Y406 HydrophobicContact CG2-CD1 3.64Å; I325-Y406 HydrophobicContact CG2-CE1 3.45Å; I325-Y406 VanDerWaalsContact CG2-CE1 3.45Å; I325-R407 WeakPolarHBondContact CD1-O 3.38Å; I325-G437 CarbonylContact O-C 3.53Å; I325-G437 WeakPolarHBondContact O-CA 3.28Å; I325-V438 HydrophobicContact CB-CG2 4.07Å; I325-V438 HydrophobicContact CG2-CG2 4.34Å; I325-V438 PolarHBondContact O-N 3.33Å
326	C	90.8	Very high	93.7	Very high	37 Å²	37	43.4 Å²	43.4	25%	0.25	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-95.2	125.5	-178.4	-170.5	0	0	0	0	107.8	G323 T328	G323-C326 WeakPolarHBondContact O-CB 3.21Å; G323-C326 PolarHBondContact O-N 3.01Å; G323-C326 VanDerWaalsContact O-N 3.08Å; C326-T328 PolarHBondContact SG-OG1 3.36Å
327	I	93.3	Very high	93.6	Very high	44 Å²	44	44.5 Å²	44.5	23%	0.226	27%	0.271	C	S	.	.			trans	-113	15.8	177.2	61.2	170.8	0	0	0	111.4	Q329 E330 V331 Q436 V438	I327-Q329 PolarHBondContact O-N 2.79Å; I327-E330 PolarHBondContact O-N 2.88Å; I327-V331 HydrophobicContact CB-CG2 4.37Å; I327-V331 HydrophobicContact CD1-CG2 3.73Å; I327-V331 HydrophobicContact CG1-CG2 3.91Å; I327-V331 WeakPolarHBondContact O-CG2 3.05Å; I327-V331 PolarHBondContact O-N 2.84Å; I327-Q436 PolarHBondContact N-O 2.97Å; I327-V438 HydrophobicContact CD1-CG1 4.15Å; I327-V438 HydrophobicContact CG2-CG1 4.07Å
328	T	92.3	Very high	93.6	Very high	2 Å²	2	44.8 Å²	44.8	1%	0.012	27%	0.272	C	S	.	.	H	α-helix	trans	-50.7	-42.8	178.4	-63.6	0	0	0	0	112.4	M320 C326 E330 V331 T332 Q436	M320-T328 HydrophobicContact CE-CG2 3.8Å; M320-T328 HydrophobicContact CG-CG2 4.39Å; C326-T328 PolarHBondContact SG-OG1 3.36Å; T328-E330 VanDerWaalsContact C-N 3.33Å; T328-E330 PolarHBondContact O-N 2.84Å; T328-V331 PolarHBondContact O-N 2.87Å; T328-T332 HydrophobicContact CG2-CG2 4.44Å; T328-T332 WeakPolarHBondContact CG2-OG1 3.24Å; T328-T332 WeakPolarHBondContact O-CB 3.13Å; T328-T332 PolarHBondContact O-N 3.24Å; T328-T332 PolarHBondContact O-OG1 3.17Å; T328-Q436 PolarHBondContact N-O 3.38Å; T328-Q436 PolarHBondContact OG1-OE1 2.84Å
329	Q	94.1	Very high	93.5	Very high	80 Å²	80	44.8 Å²	44.8	37%	0.374	27%	0.272	S	S	.	.	H	α-helix	trans	-64.3	-37.9	180	-82.8	176.8	39.1	0	0	112.5	M320 G321 I327 A333 I334	M320-Q329 PolarHBondContact O-NE2 3.11Å; G321-Q329 PolarHBondContact O-NE2 3.05Å; I327-Q329 PolarHBondContact O-N 2.79Å; Q329-A333 WeakPolarHBondContact O-CA 3.22Å; Q329-A333 PolarHBondContact O-N 2.83Å; Q329-A333 VanDerWaalsContact O-N 3.11Å; Q329-I334 WeakPolarHBondContact CG-O 3.44Å
330	E	93.3	Very high	93.5	Very high	164 Å²	164	45.7 Å²	45.7	77%	0.766	28%	0.275	S	S	*	.	H	α-helix	trans	-72.1	-44.9	179	-174.8	-179.5	167.9	0	0	111.3	I327 T328	I327-E330 PolarHBondContact O-N 2.88Å; T328-E330 VanDerWaalsContact C-N 3.33Å; T328-E330 PolarHBondContact O-N 2.84Å
331	V	92	Very high	93.6	Very high	63 Å²	63	45 Å²	45	38%	0.382	27%	0.272	S	S	.	.	H	α-helix	trans	-82.8	-32.7	-171.8	178.7	0	0	0	0	112.7	I327 T328 V434	I327-V331 HydrophobicContact CB-CG2 4.37Å; I327-V331 HydrophobicContact CD1-CG2 3.73Å; I327-V331 HydrophobicContact CG1-CG2 3.91Å; I327-V331 WeakPolarHBondContact O-CG2 3.05Å; I327-V331 PolarHBondContact O-N 2.84Å; T328-V331 PolarHBondContact O-N 2.87Å; V331-V434 HydrophobicContact CG1-CG1 3.4Å
332	T	92	Very high	93.9	Very high	49 Å²	49	44.3 Å²	44.3	30%	0.301	26%	0.264	S	S	.	.	H	α-helix	trans	-113.3	-8.2	-174.2	72.4	0	0	0	0	113.9	T328 I334 Q436	T328-T332 HydrophobicContact CG2-CG2 4.44Å; T328-T332 WeakPolarHBondContact CG2-OG1 3.24Å; T328-T332 WeakPolarHBondContact O-CB 3.13Å; T328-T332 PolarHBondContact O-N 3.24Å; T328-T332 PolarHBondContact O-OG1 3.17Å; T332-I334 WeakPolarHBondContact O-CG1 3.48Å; T332-I334 PolarHBondContact O-N 3.42Å; T332-I334 VanDerWaalsContact O-N 3.13Å; T332-I334 PolarHBondContact OG1-N 3.23Å; T332-Q436 HydrophobicContact CG2-CG 4.2Å
333	A	94.9	Very high	94.1	Very high	88 Å²	88	44 Å²	44	73%	0.727	26%	0.26	S	S	*	.	S	Bend	trans	58	15.2	-170.6	0	0	0	0	0	114.7	Q329	Q329-A333 WeakPolarHBondContact O-CA 3.22Å; Q329-A333 PolarHBondContact O-N 2.83Å; Q329-A333 VanDerWaalsContact O-N 3.11Å
334	I	95.3	Very high	94.6	Very high	92 Å²	92	44.8 Å²	44.8	47%	0.472	26%	0.256	S	S	.	.			trans	-109.4	129.3	179.6	-54	-56.6	0	0	0	111	M320 Q329 T332	M320-I334 HydrophobicContact CE-CB 4.01Å; M320-I334 HydrophobicContact CE-CG2 3.49Å; M320-I334 VanDerWaalsContact CE-CG2 3.49Å; M320-I334 HydrophobicContact SD-CG2 3.78Å; Q329-I334 WeakPolarHBondContact CG-O 3.44Å; T332-I334 WeakPolarHBondContact O-CG1 3.48Å; T332-I334 PolarHBondContact O-N 3.42Å; T332-I334 VanDerWaalsContact O-N 3.13Å; T332-I334 PolarHBondContact OG1-N 3.23Å
335	G	95.3	Very high	95.1	Very high	33 Å²	33	40.7 Å²	40.7	34%	0.34	23%	0.227	S	C	.	.			trans	166.7	-166.9	172.4	0	0	0	0	0	112.1
336	R	96.3	Very high	95.6	Very high	68 Å²	68	40.1 Å²	40.1	26%	0.257	22%	0.224	S	C	.	.			trans	-156.9	151	174	-159.4	174.4	-162.3	-172.2	4.3	110.3	V300 Q338 A341	V300-R336 HydrophobicContact CB-CB 3.75Å; V300-R336 HydrophobicContact CG1-CB 4.17Å; V300-R336 HydrophobicContact CG2-CB 4.01Å; V300-R336 WeakPolarHBondContact O-CD 3.22Å; V300-R336 PolarHBondContact O-NH1 2.85Å; R336-Q338 PolarHBondContact O-N 3.3Å; R336-A341 HydrophobicContact CB-CB 4.24Å; R336-A341 HydrophobicContact CG-CB 4.34Å
337	S	96.8	Very high	95.8	Very high	24 Å²	24	42.3 Å²	42.3	17%	0.168	23%	0.231	C	C	.	.			trans	-60.7	128.4	171.5	72.8	0	0	0	0	110.5	G24 L25 A339 K340 A341	G24-S337 VanDerWaalsContact C-OG 3.28Å; G24-S337 WeakPolarHBondContact CA-OG 3.49Å; L25-S337 PolarHBondContact N-OG 3.44Å; L25-S337 WeakPolarHBondContact O-CB 2.89Å; L25-S337 PolarHBondContact O-OG 2.76Å; S337-A339 PolarHBondContact O-N 3.36Å; S337-K340 PolarHBondContact O-N 3.1Å; S337-K340 WeakPolarHBondContact OG-CB 3.48Å; S337-A341 PolarHBondContact O-N 3.45Å
338	Q	97.7	Very high	96	Very high	6 Å²	6	42.1 Å²	42.1	3%	0.028	23%	0.228	C	C	.	.	H	α-helix	trans	-63.2	-41.2	-163.5	-172.1	64.9	10.5	0	0	113.6	F27 V318 S322 R336 K340 A341 V342 D359	F27-Q338 HydrophobicContact CE2-CB 4.06Å; F27-Q338 HydrophobicContact CE2-CG 3.56Å; F27-Q338 HydrophobicContact CZ-CB 4.23Å; F27-Q338 HydrophobicContact CZ-CG 3.57Å; V318-Q338 PolarHBondContact O-NE2 3.36Å; S322-Q338 PolarHBondContact OG-OE1 3.19Å; R336-Q338 PolarHBondContact O-N 3.3Å; Q338-K340 PolarHBondContact O-N 3.45Å; Q338-A341 PolarHBondContact O-N 2.95Å; Q338-V342 HydrophobicContact CG-CG2 4.39Å; Q338-V342 VanDerWaalsContact O-CG2 3.31Å; Q338-V342 WeakPolarHBondContact O-CG2 3.21Å; Q338-V342 PolarHBondContact O-N 2.9Å; Q338-D359 PolarHBondContact NE2-O 3.01Å
339	A	97.7	Very high	96.3	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-63.8	-42.6	-179.5	0	0	0	0	0	111.5	F19 L25 F27 S337 Y343 F374	F19-A339 HydrophobicContact CE1-CB 4.24Å; F19-A339 HydrophobicContact CZ-CB 4.13Å; L25-A339 WeakPolarHBondContact O-CB 3.29Å; L25-A339 PolarHBondContact O-N 2.91Å; F27-A339 HydrophobicContact CD1-CB 3.83Å; F27-A339 HydrophobicContact CE1-CB 4Å; S337-A339 PolarHBondContact O-N 3.36Å; A339-Y343 WeakPolarHBondContact O-CB 3.35Å; A339-Y343 PolarHBondContact O-N 3.42Å; A339-F374 HydrophobicContact CB-CD2 3.85Å; A339-F374 HydrophobicContact CB-CE2 3.65Å
340	K	97.2	Very high	96.4	Very high	23 Å²	23	42.6 Å²	42.6	10%	0.1	23%	0.23	C	C	.	.	H	α-helix	trans	-66.9	-38.5	175.8	-168.2	168.3	-165.3	168	0	112.3	F19 R21 L23 L25 S337 Q338 K344	F19-K340 HydrophobicContact CD1-CB 3.86Å; F19-K340 HydrophobicContact CD1-CG 3.87Å; F19-K340 HydrophobicContact CE1-CB 3.95Å; F19-K340 HydrophobicContact CE1-CG 4.48Å; R21-K340 PolarHBondContact O-NZ 3.44Å; L23-K340 WeakPolarHBondContact O-CD 3.36Å; L23-K340 PolarHBondContact O-NZ 3.44Å; L25-K340 PolarHBondContact O-N 3.38Å; S337-K340 PolarHBondContact O-N 3.1Å; S337-K340 WeakPolarHBondContact OG-CB 3.48Å; Q338-K340 PolarHBondContact O-N 3.45Å; K340-K344 HydrophobicContact CG-CG 4.4Å; K340-K344 WeakPolarHBondContact O-CB 3.46Å; K340-K344 WeakPolarHBondContact O-CG 3.46Å; K340-K344 PolarHBondContact O-N 3.08Å; K340-K344 VanDerWaalsContact O-N 3.08Å
341	A	97.9	Very high	96.6	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-61.5	-51.5	175.9	0	0	0	0	0	111.3	V300 V318 R336 S337 Q338 V345	V300-A341 HydrophobicContact CB-CB 4.05Å; V300-A341 HydrophobicContact CG1-CB 4.15Å; V318-A341 HydrophobicContact CG1-CB 3.98Å; R336-A341 HydrophobicContact CB-CB 4.24Å; R336-A341 HydrophobicContact CG-CB 4.34Å; S337-A341 PolarHBondContact O-N 3.45Å; Q338-A341 PolarHBondContact O-N 2.95Å; A341-V345 WeakPolarHBondContact O-CB 3.37Å; A341-V345 VanDerWaalsContact O-CG2 3.31Å; A341-V345 WeakPolarHBondContact O-CG2 3.46Å; A341-V345 PolarHBondContact O-N 3.34Å
342	V	98.4	Very high	96.9	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-56.7	-54.5	177.1	170.6	0	0	0	0	110.3	V318 Q338 K344 V345 S346 A358 F374 A376	V318-V342 HydrophobicContact CG1-CG2 4.15Å; Q338-V342 HydrophobicContact CG-CG2 4.39Å; Q338-V342 VanDerWaalsContact O-CG2 3.31Å; Q338-V342 WeakPolarHBondContact O-CG2 3.21Å; Q338-V342 PolarHBondContact O-N 2.9Å; V342-K344 PolarHBondContact O-N 2.97Å; V342-V345 PolarHBondContact O-N 3.17Å; V342-S346 WeakPolarHBondContact O-CB 3.41Å; V342-S346 PolarHBondContact O-N 2.87Å; V342-S346 PolarHBondContact O-OG 3.24Å; V342-S346 VanDerWaalsContact O-OG 3.08Å; V342-A358 HydrophobicContact CG1-CB 4.44Å; V342-A358 HydrophobicContact CG2-CB 3.56Å; V342-F374 HydrophobicContact CG1-CB 4.14Å; V342-A376 HydrophobicContact CG1-CB 3.81Å
343	Y	97.8	Very high	97.1	Very high	20 Å²	20	46 Å²	46	8%	0.078	24%	0.235	C	C	.	.	H	α-helix	trans	-56	-51.5	-178.3	177.9	-103.4	0	0	0	113.1	A15 S16 F19 A339 V345 S346 E347 F374	A15-Y343 HydrophobicContact CB-CD2 4.03Å; A15-Y343 HydrophobicContact CB-CE2 3.43Å; A15-Y343 VanDerWaalsContact CB-CE2 3.43Å; S16-Y343 WeakPolarHBondContact CA-OH 3.36Å; S16-Y343 PolarHBondContact N-OH 3.21Å; F19-Y343 HydrophobicContact CB-CD1 3.42Å; F19-Y343 VanDerWaalsContact CB-CD1 3.42Å; F19-Y343 HydrophobicContact CB-CE1 3.64Å; F19-Y343 HydrophobicContact CB-CG 4.3Å; F19-Y343 HydrophobicContact CD1-CD1 4.5Å; F19-Y343 AromaticContact CD2-CD1 3.24Å; F19-Y343 HydrophobicContact CD2-CD1 3.24Å; F19-Y343 AromaticContact CD2-CD2 3.76Å; F19-Y343 HydrophobicContact CD2-CD2 3.76Å; F19-Y343 AromaticContact CD2-CE1 3.77Å; F19-Y343 HydrophobicContact CD2-CE1 3.77Å; F19-Y343 HydrophobicContact CD2-CE2 4.23Å; F19-Y343 AromaticContact CD2-CG 3.22Å; F19-Y343 HydrophobicContact CD2-CG 3.22Å; F19-Y343 HydrophobicContact CE2-CD1 4.1Å; F19-Y343 AromaticContact CE2-CD2 3.97Å; F19-Y343 HydrophobicContact CE2-CD2 3.97Å; F19-Y343 AromaticContact CE2-CG 3.61Å; F19-Y343 HydrophobicContact CE2-CG 3.61Å; F19-Y343 AromaticContact CG-CD1 3.49Å; F19-Y343 HydrophobicContact CG-CD1 3.49Å; F19-Y343 VanDerWaalsContact CG-CD1 3.49Å; F19-Y343 HydrophobicContact CG-CE1 4.08Å; F19-Y343 AromaticContact CG-CG 3.87Å; F19-Y343 HydrophobicContact CG-CG 3.87Å; F19-Y343 HydrophobicContact CZ-CG 4.5Å; A339-Y343 WeakPolarHBondContact O-CB 3.35Å; A339-Y343 PolarHBondContact O-N 3.42Å; Y343-V345 PolarHBondContact O-N 3.21Å; Y343-S346 PolarHBondContact O-N 2.86Å; Y343-E347 WeakPolarHBondContact O-CB 3.24Å; Y343-E347 PolarHBondContact O-N 2.83Å; Y343-F374 WeakPolarHBondContact CA-O 3.37Å
344	K	97.3	Very high	97.3	Very high	42 Å²	42	42.1 Å²	42.1	18%	0.183	20%	0.202	C	C	.	.	H	α-helix	trans	-67.5	-38.2	-176.1	-71.5	-65.8	-178.9	-172.6	0	112.8	C302 K340 V342 E347 Y348	C302-K344 PolarHBondContact SG-O 3.24Å; K340-K344 HydrophobicContact CG-CG 4.4Å; K340-K344 WeakPolarHBondContact O-CB 3.46Å; K340-K344 WeakPolarHBondContact O-CG 3.46Å; K340-K344 PolarHBondContact O-N 3.08Å; K340-K344 VanDerWaalsContact O-N 3.08Å; V342-K344 PolarHBondContact O-N 2.97Å; K344-E347 IonicContact NZ-OE2 3.31Å; K344-Y348 PolarHBondContact O-N 3.3Å
345	V	98.3	Very high	97.4	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-72.1	-43.5	177.4	175.6	0	0	0	0	110.5	V299 A305 L316 V318 A341 V342 Y343 Y348 A349 V356	V299-V345 HydrophobicContact CG2-CG1 4.18Å; V299-V345 HydrophobicContact CG2-CG2 4.38Å; A305-V345 HydrophobicContact CB-CG1 3.83Å; L316-V345 HydrophobicContact CD1-CG1 3.93Å; V318-V345 HydrophobicContact CG1-CB 4.33Å; V318-V345 HydrophobicContact CG1-CG2 4.24Å; V318-V345 HydrophobicContact CG2-CB 3.85Å; V318-V345 HydrophobicContact CG2-CG1 3.49Å; V318-V345 VanDerWaalsContact CG2-CG1 3.49Å; V318-V345 HydrophobicContact CG2-CG2 4.26Å; A341-V345 WeakPolarHBondContact O-CB 3.37Å; A341-V345 VanDerWaalsContact O-CG2 3.31Å; A341-V345 WeakPolarHBondContact O-CG2 3.46Å; A341-V345 PolarHBondContact O-N 3.34Å; V342-V345 PolarHBondContact O-N 3.17Å; Y343-V345 PolarHBondContact O-N 3.21Å; V345-Y348 PolarHBondContact O-N 3.5Å; V345-A349 VanDerWaalsContact O-CB 3.25Å; V345-A349 WeakPolarHBondContact O-CB 3.29Å; V345-A349 PolarHBondContact O-N 2.87Å; V345-V356 HydrophobicContact CG1-CG2 4.05Å
346	S	98.2	Very high	97.6	Very high	7 Å²	7	36.4 Å²	36.4	5%	0.049	17%	0.165	C	C	.	.	H	α-helix	trans	-61.7	-42.6	177.1	-71	0	0	0	0	113.2	V342 Y343 Y348 A349 H350 V356 G375	V342-S346 WeakPolarHBondContact O-CB 3.41Å; V342-S346 PolarHBondContact O-N 2.87Å; V342-S346 PolarHBondContact O-OG 3.24Å; V342-S346 VanDerWaalsContact O-OG 3.08Å; Y343-S346 PolarHBondContact O-N 2.86Å; S346-Y348 VanDerWaalsContact C-N 3.26Å; S346-Y348 PolarHBondContact O-N 2.65Å; S346-A349 PolarHBondContact O-N 3.01Å; S346-H350 WeakPolarHBondContact O-CB 3.16Å; S346-H350 PolarHBondContact O-N 2.85Å; S346-V356 WeakPolarHBondContact OG-CB 3.42Å; S346-V356 WeakPolarHBondContact OG-CG1 3.5Å; S346-G375 VanDerWaalsContact CB-O 3.26Å; S346-G375 WeakPolarHBondContact CB-O 3.4Å; S346-G375 PolarHBondContact OG-O 3.4Å
347	E	96.4	Very high	97.7	Very high	83 Å²	83	33.2 Å²	33.2	39%	0.388	15%	0.153	S	C	.	.	H	α-helix	trans	-57.5	-40	175.8	-177.9	-178.6	-148.7	0	0	111.7	Y343 K344	Y343-E347 WeakPolarHBondContact O-CB 3.24Å; Y343-E347 PolarHBondContact O-N 2.83Å; K344-E347 IonicContact NZ-OE2 3.31Å
348	Y	97.7	Very high	97.8	Very high	41 Å²	41	32 Å²	32	16%	0.161	15%	0.145	C	C	.	.	H	α-helix	trans	-75	-51.1	176.9	-175	-91.2	0	0	0	112.3	C302 A305 K306 I309 K344 V345 S346 H350 K351 Y352	C302-Y348 HydrophobicContact CB-CD2 4.28Å; C302-Y348 HydrophobicContact CB-CG 4.22Å; A305-Y348 HydrophobicContact CB-CD1 4.28Å; K306-Y348 HydrophobicContact CB-CE1 3.83Å; K306-Y348 WeakPolarHBondContact CB-OH 3.31Å; K306-Y348 VanDerWaalsContact CG-OH 3.26Å; K306-Y348 WeakPolarHBondContact CG-OH 3.31Å; I309-Y348 HydrophobicContact CD1-CD1 4.12Å; I309-Y348 HydrophobicContact CD1-CE1 4.08Å; K344-Y348 PolarHBondContact O-N 3.3Å; V345-Y348 PolarHBondContact O-N 3.5Å; S346-Y348 VanDerWaalsContact C-N 3.26Å; S346-Y348 PolarHBondContact O-N 2.65Å; Y348-H350 VanDerWaalsContact C-N 3.27Å; Y348-H350 PolarHBondContact O-N 2.88Å; Y348-K351 WeakPolarHBondContact O-CB 3.06Å; Y348-K351 PolarHBondContact O-N 2.87Å; Y348-K351 VanDerWaalsContact O-N 3.16Å; Y348-Y352 HydrophobicContact CD1-CE2 4.35Å; Y348-Y352 HydrophobicContact CE1-CD2 4.2Å; Y348-Y352 AromaticContact CE1-CE2 3.68Å; Y348-Y352 HydrophobicContact CE1-CE2 3.68Å; Y348-Y352 HydrophobicContact CE2-CE2 4.38Å; Y348-Y352 AromaticContact CZ-CE2 3.7Å; Y348-Y352 PolarHBondContact OH-OH 3.24Å
349	A	98.3	Very high	97.8	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-63.5	-31.6	-174.7	0	0	0	0	0	112.9	I309 L316 V345 S346 K351 Y352 D353 V354 V356	I309-A349 HydrophobicContact CD1-CB 4.12Å; L316-A349 HydrophobicContact CD1-CB 3.91Å; V345-A349 VanDerWaalsContact O-CB 3.25Å; V345-A349 WeakPolarHBondContact O-CB 3.29Å; V345-A349 PolarHBondContact O-N 2.87Å; S346-A349 PolarHBondContact O-N 3.01Å; A349-K351 PolarHBondContact O-N 2.66Å; A349-Y352 PolarHBondContact O-N 2.86Å; A349-D353 PolarHBondContact O-N 2.63Å; A349-V354 HydrophobicContact CB-CB 4.24Å; A349-V354 WeakPolarHBondContact CB-O 3.38Å; A349-V354 PolarHBondContact O-N 3.32Å; A349-V356 HydrophobicContact CB-CG2 3.77Å
350	H	96.5	Very high	97.6	Very high	91 Å²	91	33.1 Å²	33.1	42%	0.421	15%	0.154	S	C	.	.	G	3₁₀ helix	trans	-55.7	-34.1	175.4	174.5	57.1	0	0	0	113.1	S346 Y348 Y352 D353 R479	S346-H350 WeakPolarHBondContact O-CB 3.16Å; S346-H350 PolarHBondContact O-N 2.85Å; Y348-H350 VanDerWaalsContact C-N 3.27Å; Y348-H350 PolarHBondContact O-N 2.88Å; H350-Y352 PolarHBondContact O-N 3.31Å; H350-Y352 VanDerWaalsContact O-N 3.08Å; H350-D353 PolarHBondContact O-N 2.87Å; H350-R479 PolarHBondContact CE1-NH1 3.49Å; H350-R479 PolarHBondContact NE2-NH1 2.68Å
351	K	96.8	Very high	97.3	Very high	155 Å²	155	33.2 Å²	33.2	67%	0.674	16%	0.161	S	C	*	.	G	3₁₀ helix	trans	-62.5	-17.1	178.5	-60.5	-178.7	-178.6	-178.2	0	113.5	Y348 A349	Y348-K351 WeakPolarHBondContact O-CB 3.06Å; Y348-K351 PolarHBondContact O-N 2.87Å; Y348-K351 VanDerWaalsContact O-N 3.16Å; A349-K351 PolarHBondContact O-N 2.66Å
352	Y	97.6	Very high	97.3	Very high	104 Å²	104	34 Å²	34	41%	0.408	17%	0.165	S	C	.	.	G	3₁₀ helix	trans	-117.1	11	-177	-59.5	-88	0	0	0	112.7	I309 Y348 A349 H350 V354	I309-Y352 HydrophobicContact CD1-CD2 4.23Å; I309-Y352 HydrophobicContact CG2-CD1 4.1Å; I309-Y352 HydrophobicContact CG2-CD2 4.29Å; I309-Y352 HydrophobicContact CG2-CG 3.88Å; Y348-Y352 HydrophobicContact CD1-CE2 4.35Å; Y348-Y352 HydrophobicContact CE1-CD2 4.2Å; Y348-Y352 AromaticContact CE1-CE2 3.68Å; Y348-Y352 HydrophobicContact CE1-CE2 3.68Å; Y348-Y352 HydrophobicContact CE2-CE2 4.38Å; Y348-Y352 AromaticContact CZ-CE2 3.7Å; Y348-Y352 PolarHBondContact OH-OH 3.24Å; A349-Y352 PolarHBondContact O-N 2.86Å; H350-Y352 PolarHBondContact O-N 3.31Å; H350-Y352 VanDerWaalsContact O-N 3.08Å; Y352-V354 PolarHBondContact O-N 3.13Å
353	D	96.8	Very high	97	Very high	89 Å²	89	40 Å²	40	48%	0.476	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.2	38.8	-172.6	-169.2	38.7	0	0	0	112.6	K49 A349 H350 P355	K49-D353 VanDerWaalsContact NZ-CG 3.26Å; K49-D353 IonicContact NZ-OD1 3.97Å; K49-D353 PolarHBondContact NZ-OD1 3.26Å; K49-D353 IonicContact NZ-OD2 2.69Å; K49-D353 PolarHBondContact NZ-OD2 3.45Å; A349-D353 PolarHBondContact O-N 2.63Å; H350-D353 PolarHBondContact O-N 2.87Å; D353-P355 WeakPolarHBondContact O-CD 3.49Å
354	V	98.5	Very high	96.8	Very high	6 Å²	6	42.1 Å²	42.1	4%	0.036	21%	0.206	C	C	.	.			trans	-100.6	112.5	177.2	176.9	0	0	0	0	109.2	I309 L316 A349 Y352	I309-V354 HydrophobicContact CD1-CB 4.27Å; I309-V354 HydrophobicContact CD1-CG1 4.45Å; I309-V354 HydrophobicContact CD1-CG2 4.26Å; I309-V354 HydrophobicContact CG1-CB 4.39Å; I309-V354 HydrophobicContact CG1-CG1 4.26Å; I309-V354 HydrophobicContact CG1-CG2 4.08Å; I309-V354 HydrophobicContact CG2-CG2 4.35Å; L316-V354 HydrophobicContact CD1-CG1 4.12Å; L316-V354 HydrophobicContact CG-CG1 3.88Å; A349-V354 HydrophobicContact CB-CB 4.24Å; A349-V354 WeakPolarHBondContact CB-O 3.38Å; A349-V354 PolarHBondContact O-N 3.32Å; Y352-V354 PolarHBondContact O-N 3.13Å
355	P	98.6	Very high	96.8	Very high	4 Å²	4	40.6 Å²	40.6	3%	0.026	20%	0.201	C	C	.	.			trans	-64.6	148.7	177.8	-24.1	36.9	0	0	0	112.8	K49 D314 G315 L316 D353 S377	K49-P355 HydrophobicContact CB-CB 4.07Å; K49-P355 HydrophobicContact CB-CG 3.49Å; K49-P355 VanDerWaalsContact CB-CG 3.49Å; K49-P355 HydrophobicContact CD-CG 4.09Å; K49-P355 HydrophobicContact CG-CG 4.46Å; D314-P355 WeakPolarHBondContact O-CD 3.28Å; G315-P355 WeakPolarHBondContact CA-O 3.3Å; L316-P355 PolarHBondContact N-O 2.86Å; D353-P355 WeakPolarHBondContact O-CD 3.49Å; P355-S377 WeakPolarHBondContact CA-OG 3.32Å; P355-S377 WeakPolarHBondContact CB-OG 3.18Å
356	V	98.8	Very high	96.8	Very high	2 Å²	2	42.2 Å²	42.2	1%	0.012	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	130.8	179.9	166.5	0	0	0	0	110.8	L316 V318 V345 S346 A349 A376 S377 S378	L316-V356 HydrophobicContact CB-CG2 4.27Å; L316-V356 WeakPolarHBondContact O-CA 3.32Å; V318-V356 HydrophobicContact CB-CG1 4.07Å; V318-V356 HydrophobicContact CG2-CG1 3.5Å; V318-V356 VanDerWaalsContact CG2-CG1 3.5Å; V318-V356 HydrophobicContact CG2-CG2 4.49Å; V345-V356 HydrophobicContact CG1-CG2 4.05Å; S346-V356 WeakPolarHBondContact OG-CB 3.42Å; S346-V356 WeakPolarHBondContact OG-CG1 3.5Å; A349-V356 HydrophobicContact CB-CG2 3.77Å; V356-A376 CarbonylContact O-C 3.51Å; V356-S377 PolarHBondContact N-OG 3.01Å; V356-S377 PolarHBondContact O-N 3.38Å; V356-S378 PolarHBondContact O-N 3.38Å
357	I	98.8	Very high	96.8	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	118.1	174.9	-46.5	-178.5	0	0	0	108.4	I50 I295 L316 V318 D359 S378 M380	I50-I357 HydrophobicContact CD1-CD1 3.41Å; I50-I357 VanDerWaalsContact CD1-CD1 3.41Å; I50-I357 HydrophobicContact CD1-CG1 3.87Å; I50-I357 HydrophobicContact CG1-CD1 4.16Å; I295-I357 HydrophobicContact CD1-CD1 3.62Å; I295-I357 HydrophobicContact CG1-CD1 4.32Å; I295-I357 HydrophobicContact CG2-CD1 4.01Å; L316-I357 PolarHBondContact O-N 2.78Å; V318-I357 PolarHBondContact N-O 3.17Å; I357-D359 PolarHBondContact O-N 3.22Å; I357-S378 WeakPolarHBondContact CA-O 3.4Å; I357-S378 WeakPolarHBondContact CG1-OG 3.39Å; I357-M380 HydrophobicContact CG2-CB 3.73Å; I357-M380 HydrophobicContact CG2-CE 4.49Å
358	A	98.7	Very high	96.9	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	110.4	172	0	0	0	0	0	110	V342 A371 A376 S378 V379 M380	V342-A358 HydrophobicContact CG1-CB 4.44Å; V342-A358 HydrophobicContact CG2-CB 3.56Å; A358-A371 HydrophobicContact CB-CB 3.92Å; A358-A376 HydrophobicContact CB-CB 3.87Å; A358-S378 PolarHBondContact N-O 3.04Å; A358-V379 HydrophobicContact CB-CG1 4.3Å; A358-V379 WeakPolarHBondContact O-CA 3.26Å; A358-M380 PolarHBondContact O-N 2.89Å
359	D	98.1	Very high	96.9	Very high	15 Å²	15	37 Å²	37	8%	0.08	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	121.2	-177.3	178	32.5	0	0	0	111.9	N298 R317 V318 S322 Q338 I357 M380	N298-D359 PolarHBondContact ND2-OD2 3.49Å; R317-D359 HydrophobicContact CG-CB 3.86Å; R317-D359 IonicContact CZ-OD2 3.92Å; R317-D359 IonicContact NE-OD2 2.81Å; R317-D359 PolarHBondContact NE-OD2 2.65Å; R317-D359 IonicContact NH2-OD1 2.65Å; R317-D359 IonicContact NH2-OD2 3.97Å; R317-D359 PolarHBondContact NH2-OD2 2.84Å; V318-D359 PolarHBondContact O-N 3.39Å; S322-D359 PolarHBondContact OG-O 3.29Å; Q338-D359 PolarHBondContact NE2-O 3.01Å; I357-D359 PolarHBondContact O-N 3.22Å; D359-M380 HydrophobicContact CB-CB 4.02Å
360	G	92.6	Very high	96.9	Very high	13 Å²	13	37.9 Å²	37.9	13%	0.134	20%	0.198	C	C	.	.	S	Bend	trans	93.4	159.7	-179	0	0	0	0	0	114.5	I362	G360-I362 PolarHBondContact O-N 2.79Å; G360-I362 VanDerWaalsContact O-N 3.15Å
361	G	92.2	Very high	97	Very high	25 Å²	25	33.5 Å²	33.5	26%	0.258	18%	0.178	S	C	.	.			trans	72.2	-2.6	179.6	0	0	0	0	0	116.4	S322 Q363 H367	S322-G361 VanDerWaalsContact O-CA 3.31Å; S322-G361 WeakPolarHBondContact O-CA 3.16Å; S322-G361 PolarHBondContact O-N 2.71Å; G361-Q363 PolarHBondContact O-N 3.16Å; G361-H367 PolarHBondContact O-ND1 2.91Å
362	I	95.9	Very high	97.1	Very high	16 Å²	16	26.1 Å²	26.1	8%	0.082	15%	0.146	C	C	.	.			trans	-83.5	116.4	-179.5	-50.8	-60.5	0	0	0	110.2	F27 G360 H367 I368 A371 V379 M381 L384	F27-I362 HydrophobicContact CD2-CD1 4.12Å; F27-I362 HydrophobicContact CE2-CD1 3.47Å; F27-I362 VanDerWaalsContact CE2-CD1 3.47Å; F27-I362 HydrophobicContact CZ-CD1 3.88Å; G360-I362 PolarHBondContact O-N 2.79Å; G360-I362 VanDerWaalsContact O-N 3.15Å; I362-H367 HydrophobicContact CD1-CB 4.03Å; I362-H367 HydrophobicContact CG2-CB 4.18Å; I362-I368 HydrophobicContact CG2-CD1 4.27Å; I362-I368 HydrophobicContact CG2-CG1 3.49Å; I362-I368 VanDerWaalsContact CG2-CG1 3.49Å; I362-A371 HydrophobicContact CD1-CB 4.13Å; I362-V379 HydrophobicContact CD1-CG1 4.4Å; I362-V379 HydrophobicContact CG1-CB 4.44Å; I362-M381 HydrophobicContact CB-CG 4.48Å; I362-M381 HydrophobicContact CG2-CG 4.27Å; I362-M381 HydrophobicContact CG2-SD 4.46Å; I362-L384 HydrophobicContact CB-CD1 4.46Å; I362-L384 HydrophobicContact CG2-CD1 3.71Å
363	Q	93.2	Very high	97.1	Very high	128 Å²	128	21.2 Å²	21.2	60%	0.598	13%	0.127	S	C	*	.			trans	-118.9	-17.5	-176	-65.8	-179.4	-16.3	0	0	114	G361 H367 L384	G361-Q363 PolarHBondContact O-N 3.16Å; Q363-H367 PolarHBondContact N-ND1 2.93Å; Q363-L384 WeakPolarHBondContact O-CD2 3.43Å
364	N	94.6	Very high	97.2	Very high	64 Å²	64	17 Å²	17	34%	0.342	10%	0.104	S	C	.	.	S	Bend	trans	-161	170.3	-174.7	56.5	62.4	0	0	0	110	G366 H367 I368	N364-G366 PolarHBondContact O-N 3.47Å; N364-G366 WeakPolarHBondContact OD1-CA 3.4Å; N364-G366 PolarHBondContact OD1-N 3.3Å; N364-H367 PolarHBondContact ND2-NE2 3Å; N364-H367 PolarHBondContact O-N 2.83Å; N364-H367 VanDerWaalsContact O-N 3.13Å; N364-H367 PolarHBondContact OD1-CD2 3.14Å; N364-H367 PolarHBondContact OD1-N 2.9Å; N364-I368 PolarHBondContact O-N 2.65Å
365	A	96.4	Very high	97.2	Very high	10 Å²	10	17.6 Å²	17.6	8%	0.083	11%	0.111	C	C	.	.	H	α-helix	trans	-58.1	-32.9	178.9	0	0	0	0	0	113.2	H367 I368 V369 L455	A365-H367 PolarHBondContact O-N 3.31Å; A365-I368 WeakPolarHBondContact O-CB 3.42Å; A365-I368 PolarHBondContact O-N 3.17Å; A365-I368 VanDerWaalsContact O-N 3.13Å; A365-V369 WeakPolarHBondContact O-CG2 3.09Å; A365-V369 PolarHBondContact O-N 3.01Å; A365-L455 HydrophobicContact CB-CD2 4.17Å
366	G	97.5	Very high	97.2	Very high	33 Å²	33	17.4 Å²	17.4	34%	0.34	11%	0.11	S	C	.	.	H	α-helix	trans	-62.7	-38.4	176.5	0	0	0	0	0	113.1	N364 I368 V369 K370	N364-G366 PolarHBondContact O-N 3.47Å; N364-G366 WeakPolarHBondContact OD1-CA 3.4Å; N364-G366 PolarHBondContact OD1-N 3.3Å; G366-I368 VanDerWaalsContact C-N 3.29Å; G366-I368 PolarHBondContact O-N 2.88Å; G366-V369 PolarHBondContact O-N 2.82Å; G366-K370 VanDerWaalsContact O-CG 3.25Å; G366-K370 WeakPolarHBondContact O-CG 3.18Å; G366-K370 PolarHBondContact O-N 2.93Å
367	H	98.2	Very high	97.2	Very high	12 Å²	12	18.1 Å²	18.1	6%	0.056	12%	0.115	C	C	.	.	H	α-helix	trans	-66.2	-34.9	174.2	-68	-170.4	0	0	0	111.5	F27 G361 I362 Q363 N364 A365 K370 A371	F27-H367 HydrophobicContact CB-CB 4.37Å; F27-H367 HydrophobicContact CD2-CB 4.2Å; F27-H367 HydrophobicContact CG-CB 4.39Å; G361-H367 PolarHBondContact O-ND1 2.91Å; I362-H367 HydrophobicContact CD1-CB 4.03Å; I362-H367 HydrophobicContact CG2-CB 4.18Å; Q363-H367 PolarHBondContact N-ND1 2.93Å; N364-H367 PolarHBondContact ND2-NE2 3Å; N364-H367 PolarHBondContact O-N 2.83Å; N364-H367 VanDerWaalsContact O-N 3.13Å; N364-H367 PolarHBondContact OD1-CD2 3.14Å; N364-H367 PolarHBondContact OD1-N 2.9Å; A365-H367 PolarHBondContact O-N 3.31Å; H367-K370 PolarHBondContact O-N 2.95Å; H367-A371 WeakPolarHBondContact O-CB 3.48Å; H367-A371 PolarHBondContact O-N 3.16Å
368	I	98.5	Very high	97.2	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-63.8	-50.6	175.1	-56.3	178.2	0	0	0	110	F60 I362 N364 A365 G366 K370 A371 L372 V379 M381 L455 V459	F60-I368 HydrophobicContact CD1-CD1 4.5Å; F60-I368 HydrophobicContact CE1-CD1 3.95Å; F60-I368 HydrophobicContact CE1-CG2 3.87Å; F60-I368 HydrophobicContact CZ-CD1 4.18Å; I362-I368 HydrophobicContact CG2-CD1 4.27Å; I362-I368 HydrophobicContact CG2-CG1 3.49Å; I362-I368 VanDerWaalsContact CG2-CG1 3.49Å; N364-I368 PolarHBondContact O-N 2.65Å; A365-I368 WeakPolarHBondContact O-CB 3.42Å; A365-I368 PolarHBondContact O-N 3.17Å; A365-I368 VanDerWaalsContact O-N 3.13Å; G366-I368 VanDerWaalsContact C-N 3.29Å; G366-I368 PolarHBondContact O-N 2.88Å; I368-K370 VanDerWaalsContact C-N 3.29Å; I368-K370 PolarHBondContact O-N 3.22Å; I368-A371 PolarHBondContact O-N 3.09Å; I368-L372 HydrophobicContact CG2-CD1 4.05Å; I368-L372 HydrophobicContact CG2-CG 4.38Å; I368-L372 WeakPolarHBondContact O-CG 3.39Å; I368-L372 PolarHBondContact O-N 2.88Å; I368-V379 HydrophobicContact CB-CG2 4.47Å; I368-V379 HydrophobicContact CD1-CG2 4.28Å; I368-V379 HydrophobicContact CG1-CG2 4.07Å; I368-V379 HydrophobicContact CG2-CG1 4.01Å; I368-V379 HydrophobicContact CG2-CG2 3.8Å; I368-M381 HydrophobicContact CD1-SD 3.98Å; I368-L455 HydrophobicContact CD1-CD1 4.41Å; I368-L455 HydrophobicContact CD1-CD2 4.25Å; I368-V459 HydrophobicContact CB-CG2 3.96Å; I368-V459 HydrophobicContact CG2-CG2 3.6Å
369	V	98.5	Very high	97.2	Very high	11 Å²	11	18.1 Å²	18.1	7%	0.067	12%	0.115	C	C	.	.	H	α-helix	trans	-54.8	-48.1	176.8	175.7	0	0	0	0	110.3	I32 A365 G366 A371 L372 S373 V459 L463 I466	I32-V369 HydrophobicContact CD1-CG1 3.87Å; A365-V369 WeakPolarHBondContact O-CG2 3.09Å; A365-V369 PolarHBondContact O-N 3.01Å; G366-V369 PolarHBondContact O-N 2.82Å; V369-A371 PolarHBondContact O-N 3.34Å; V369-L372 PolarHBondContact O-N 2.59Å; V369-S373 WeakPolarHBondContact O-CB 3.3Å; V369-S373 PolarHBondContact O-N 3.37Å; V369-S373 PolarHBondContact O-OG 3.38Å; V369-V459 HydrophobicContact CG2-CB 4.36Å; V369-V459 HydrophobicContact CG2-CG1 4.4Å; V369-V459 HydrophobicContact CG2-CG2 4.23Å; V369-L463 HydrophobicContact CG1-CD1 4.38Å; V369-I466 HydrophobicContact CG1-CD1 3.77Å
370	K	98.6	Very high	97.2	Very high	17 Å²	17	17.4 Å²	17.4	7%	0.074	11%	0.112	C	C	.	.	H	α-helix	trans	-60.9	-45.4	177.8	-69.1	171.9	-176.6	-174.2	0	113	F27 V30 I32 G366 H367 I368 L372 S373 F374	F27-K370 HydrophobicContact CB-CD 4.15Å; F27-K370 HydrophobicContact CD1-CB 4.04Å; F27-K370 WeakPolarHBondContact O-CD 3.43Å; F27-K370 WeakPolarHBondContact O-CE 3.44Å; F27-K370 PolarHBondContact O-NZ 3.42Å; V30-K370 WeakPolarHBondContact O-CE 3.46Å; V30-K370 PolarHBondContact O-NZ 2.85Å; I32-K370 HydrophobicContact CD1-CG 3.95Å; I32-K370 HydrophobicContact CG1-CG 4.36Å; G366-K370 VanDerWaalsContact O-CG 3.25Å; G366-K370 WeakPolarHBondContact O-CG 3.18Å; G366-K370 PolarHBondContact O-N 2.93Å; H367-K370 PolarHBondContact O-N 2.95Å; I368-K370 VanDerWaalsContact C-N 3.29Å; I368-K370 PolarHBondContact O-N 3.22Å; K370-L372 VanDerWaalsContact C-N 3.34Å; K370-L372 PolarHBondContact O-N 2.87Å; K370-S373 PolarHBondContact O-N 2.93Å; K370-F374 HydrophobicContact CB-CE2 4.09Å; K370-F374 WeakPolarHBondContact O-CD2 3.47Å; K370-F374 VanDerWaalsContact O-CG 3.24Å; K370-F374 WeakPolarHBondContact O-CG 3.42Å; K370-F374 PolarHBondContact O-N 2.83Å
371	A	98.6	Very high	97.4	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-59.6	-44.6	177.1	0	0	0	0	0	111.8	F27 A358 I362 H367 I368 V369 F374 G375 A376 V379	F27-A371 HydrophobicContact CE1-CB 3.8Å; F27-A371 HydrophobicContact CZ-CB 3.86Å; A358-A371 HydrophobicContact CB-CB 3.92Å; I362-A371 HydrophobicContact CD1-CB 4.13Å; H367-A371 WeakPolarHBondContact O-CB 3.48Å; H367-A371 PolarHBondContact O-N 3.16Å; I368-A371 PolarHBondContact O-N 3.09Å; V369-A371 PolarHBondContact O-N 3.34Å; A371-F374 PolarHBondContact O-N 3.16Å; A371-G375 PolarHBondContact O-N 2.9Å; A371-A376 HydrophobicContact CB-CB 4.41Å; A371-A376 VanDerWaalsContact O-CB 3.24Å; A371-A376 WeakPolarHBondContact O-CB 3.38Å; A371-A376 PolarHBondContact O-N 3.38Å; A371-A376 VanDerWaalsContact O-N 3.11Å; A371-V379 HydrophobicContact CB-CG1 3.82Å
372	L	98.6	Very high	97.5	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-64.4	-42.3	175.9	-63.4	175.8	0	0	0	111.5	P59 I368 V369 K370 F374 G375 A376 V459 I471 L474 H475	P59-L372 HydrophobicContact CB-CD2 4.31Å; P59-L372 HydrophobicContact CG-CD1 4.09Å; I368-L372 HydrophobicContact CG2-CD1 4.05Å; I368-L372 HydrophobicContact CG2-CG 4.38Å; I368-L372 WeakPolarHBondContact O-CG 3.39Å; I368-L372 PolarHBondContact O-N 2.88Å; V369-L372 PolarHBondContact O-N 2.59Å; K370-L372 VanDerWaalsContact C-N 3.34Å; K370-L372 PolarHBondContact O-N 2.87Å; L372-F374 PolarHBondContact O-N 3.49Å; L372-G375 PolarHBondContact O-N 2.92Å; L372-A376 WeakPolarHBondContact CD2-O 3.33Å; L372-V459 HydrophobicContact CD1-CG1 4.04Å; L372-I471 HydrophobicContact CD1-CD1 4.02Å; L372-I471 HydrophobicContact CD1-CG1 4.39Å; L372-I471 HydrophobicContact CD2-CD1 4.3Å; L372-L474 HydrophobicContact CB-CD2 3.93Å; L372-H475 PolarHBondContact O-CD2 2.8Å; L372-H475 PolarHBondContact O-NE2 3.03Å; L372-H475 VanDerWaalsContact O-NE2 3.08Å
373	S	98.4	Very high	97.3	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-61.5	-28.5	175.4	-63.1	0	0	0	0	113.4	I32 V369 K370 G375 S478	I32-S373 VanDerWaalsContact CD1-OG 3.28Å; I32-S373 WeakPolarHBondContact CD1-OG 3.43Å; V369-S373 WeakPolarHBondContact O-CB 3.3Å; V369-S373 PolarHBondContact O-N 3.37Å; V369-S373 PolarHBondContact O-OG 3.38Å; K370-S373 PolarHBondContact O-N 2.93Å; S373-G375 VanDerWaalsContact C-N 3.26Å; S373-G375 PolarHBondContact O-N 3.08Å; S373-S478 VanDerWaalsContact O-CB 3.25Å; S373-S478 WeakPolarHBondContact O-CB 3.31Å; S373-S478 PolarHBondContact O-OG 3.45Å
374	F	98.2	Very high	97.3	Very high	1 Å²	1	10.4 Å²	10.4	0%	0.004	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85	7.1	174.1	-60	-37.4	0	0	0	113.7	L18 F19 F27 V30 A339 V342 Y343 K370 A371 L372 F485	L18-F374 HydrophobicContact CD2-CE1 4.35Å; F19-F374 AromaticContact CE2-CD1 3.54Å; F19-F374 HydrophobicContact CE2-CD1 3.54Å; F19-F374 AromaticContact CE2-CE1 3.62Å; F19-F374 HydrophobicContact CE2-CE1 3.62Å; F19-F374 HydrophobicContact CE2-CG 4.09Å; F19-F374 HydrophobicContact CE2-CZ 4.25Å; F19-F374 AromaticContact CZ-CD1 3.89Å; F19-F374 HydrophobicContact CZ-CD1 3.89Å; F19-F374 HydrophobicContact CZ-CD2 4.22Å; F19-F374 AromaticContact CZ-CE1 3.78Å; F19-F374 HydrophobicContact CZ-CE1 3.78Å; F19-F374 HydrophobicContact CZ-CE2 4.13Å; F19-F374 HydrophobicContact CZ-CG 4.12Å; F19-F374 AromaticContact CZ-CZ 3.92Å; F19-F374 HydrophobicContact CZ-CZ 3.92Å; F27-F374 HydrophobicContact CD1-CD2 4.24Å; F27-F374 HydrophobicContact CD1-CE2 4.12Å; F27-F374 HydrophobicContact CE1-CD2 4.18Å; V30-F374 HydrophobicContact CB-CZ 4.09Å; V30-F374 HydrophobicContact CG1-CE1 4.47Å; V30-F374 HydrophobicContact CG1-CZ 3.9Å; V30-F374 HydrophobicContact CG2-CZ 4.28Å; A339-F374 HydrophobicContact CB-CD2 3.85Å; A339-F374 HydrophobicContact CB-CE2 3.65Å; V342-F374 HydrophobicContact CG1-CB 4.14Å; Y343-F374 WeakPolarHBondContact CA-O 3.37Å; K370-F374 HydrophobicContact CB-CE2 4.09Å; K370-F374 WeakPolarHBondContact O-CD2 3.47Å; K370-F374 VanDerWaalsContact O-CG 3.24Å; K370-F374 WeakPolarHBondContact O-CG 3.42Å; K370-F374 PolarHBondContact O-N 2.83Å; A371-F374 PolarHBondContact O-N 3.16Å; L372-F374 PolarHBondContact O-N 3.49Å; F374-F485 HydrophobicContact CD1-CE1 4.01Å; F374-F485 HydrophobicContact CD1-CZ 4.15Å; F374-F485 AromaticContact CE1-CD1 3.81Å; F374-F485 HydrophobicContact CE1-CD1 3.81Å; F374-F485 AromaticContact CE1-CE1 3.34Å; F374-F485 HydrophobicContact CE1-CE1 3.34Å; F374-F485 AromaticContact CE1-CZ 3.86Å; F374-F485 HydrophobicContact CE1-CZ 3.86Å; F374-F485 HydrophobicContact CZ-CD1 4.32Å; F374-F485 HydrophobicContact CZ-CE1 4.11Å
375	G	98	Very high	97.4	Very high	18 Å²	18	7.3 Å²	7.3	19%	0.186	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	96.9	7.1	172.6	0	0	0	0	0	114.6	S346 A371 L372 S373	S346-G375 VanDerWaalsContact CB-O 3.26Å; S346-G375 WeakPolarHBondContact CB-O 3.4Å; S346-G375 PolarHBondContact OG-O 3.4Å; A371-G375 PolarHBondContact O-N 2.9Å; L372-G375 PolarHBondContact O-N 2.92Å; S373-G375 VanDerWaalsContact C-N 3.26Å; S373-G375 PolarHBondContact O-N 3.08Å
376	A	98.6	Very high	97.3	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	6%	0.055	C	C	.	.			trans	-63.4	138.9	165.2	0	0	0	0	0	109.1	V342 V356 A358 A371 L372 H475	V342-A376 HydrophobicContact CG1-CB 3.81Å; V356-A376 CarbonylContact O-C 3.51Å; A358-A376 HydrophobicContact CB-CB 3.87Å; A371-A376 HydrophobicContact CB-CB 4.41Å; A371-A376 VanDerWaalsContact O-CB 3.24Å; A371-A376 WeakPolarHBondContact O-CB 3.38Å; A371-A376 PolarHBondContact O-N 3.38Å; A371-A376 VanDerWaalsContact O-N 3.11Å; L372-A376 WeakPolarHBondContact CD2-O 3.33Å; A376-H475 PolarHBondContact O-CE1 3.4Å; A376-H475 VanDerWaalsContact O-CE1 3.29Å; A376-H475 PolarHBondContact O-NE2 3.39Å
377	S	98.5	Very high	97.1	Very high	17 Å²	17	5.3 Å²	5.3	12%	0.119	4%	0.039	C	C	.	.	S	Bend	trans	-83.4	-31	171.9	-47.9	0	0	0	0	110.6	S48 K49 P355 V356	S48-S377 WeakPolarHBondContact CB-O 3.2Å; S48-S377 PolarHBondContact OG-O 2.81Å; K49-S377 WeakPolarHBondContact O-CB 3.35Å; P355-S377 WeakPolarHBondContact CA-OG 3.32Å; P355-S377 WeakPolarHBondContact CB-OG 3.18Å; V356-S377 PolarHBondContact N-OG 3.01Å; V356-S377 PolarHBondContact O-N 3.38Å
378	S	98.6	Very high	97	Very high	0 Å²	0	4.7 Å²	4.7	0%	0	4%	0.036	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	170.9	176.2	64.5	0	0	0	0	111.7	I50 P59 V356 I357 A358	I50-S378 WeakPolarHBondContact CD1-OG 3.33Å; P59-S378 CarbonylContact O-C 3.43Å; P59-S378 VanDerWaalsContact O-CA 3.28Å; P59-S378 WeakPolarHBondContact O-CA 3.26Å; P59-S378 VanDerWaalsContact O-CB 3.28Å; P59-S378 WeakPolarHBondContact O-CB 3.24Å; V356-S378 PolarHBondContact O-N 3.38Å; I357-S378 WeakPolarHBondContact CA-O 3.4Å; I357-S378 WeakPolarHBondContact CG1-OG 3.39Å; A358-S378 PolarHBondContact N-O 3.04Å
379	V	98.6	Very high	96.8	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	138.2	176.4	-61.4	0	0	0	0	110.8	P59 F60 A61 A358 I362 I368 A371 M381	P59-V379 PolarHBondContact O-N 2.99Å; F60-V379 HydrophobicContact CD1-CG2 3.77Å; F60-V379 HydrophobicContact CE1-CG2 4.37Å; A61-V379 PolarHBondContact N-O 3.18Å; A358-V379 HydrophobicContact CB-CG1 4.3Å; A358-V379 WeakPolarHBondContact O-CA 3.26Å; I362-V379 HydrophobicContact CD1-CG1 4.4Å; I362-V379 HydrophobicContact CG1-CB 4.44Å; I368-V379 HydrophobicContact CB-CG2 4.47Å; I368-V379 HydrophobicContact CD1-CG2 4.28Å; I368-V379 HydrophobicContact CG1-CG2 4.07Å; I368-V379 HydrophobicContact CG2-CG1 4.01Å; I368-V379 HydrophobicContact CG2-CG2 3.8Å; A371-V379 HydrophobicContact CB-CG1 3.82Å; V379-M381 HydrophobicContact CG2-CG 4.41Å; V379-M381 HydrophobicContact CG2-SD 4.45Å
380	M	98.6	Very high	96.7	Very high	1 Å²	1	9 Å²	9	1%	0.005	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	129.4	173.1	-174.9	171.9	-73.5	0	0	110.3	A61 P64 F85 R317 I357 A358 D359	A61-M380 HydrophobicContact CB-CB 4.35Å; A61-M380 HydrophobicContact CB-CE 4.21Å; A61-M380 HydrophobicContact CB-CG 4.45Å; A61-M380 CarbonylContact O-C 3.52Å; A61-M380 VanDerWaalsContact O-CA 3.31Å; A61-M380 WeakPolarHBondContact O-CA 3.4Å; P64-M380 VanDerWaalsContact CD-SD 3.59Å; F85-M380 HydrophobicContact CD2-CE 3.55Å; F85-M380 HydrophobicContact CE2-CE 3.77Å; F85-M380 HydrophobicContact CG-CE 4.27Å; R317-M380 PolarHBondContact NE-SD 2.68Å; R317-M380 PolarHBondContact NH2-SD 2.79Å; R317-M380 VanDerWaalsContact NH2-SD 3.41Å; I357-M380 HydrophobicContact CG2-CB 3.73Å; I357-M380 HydrophobicContact CG2-CE 4.49Å; A358-M380 PolarHBondContact O-N 2.89Å; D359-M380 HydrophobicContact CB-CB 4.02Å
381	M	96.7	Very high	96.6	Very high	2 Å²	2	8.6 Å²	8.6	1%	0.01	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	120.6	-171.7	-66.5	180	-69.9	0	0	110.8	F60 A61 S63 I362 I368 V379 L384 L385 L455	F60-M381 HydrophobicContact CB-CE 3.57Å; F60-M381 HydrophobicContact CD1-CE 4.13Å; F60-M381 HydrophobicContact CD2-CE 3.94Å; F60-M381 HydrophobicContact CG-CE 3.6Å; A61-M381 PolarHBondContact O-N 3.31Å; S63-M381 PolarHBondContact N-O 3.38Å; S63-M381 VanDerWaalsContact N-O 3.11Å; I362-M381 HydrophobicContact CB-CG 4.48Å; I362-M381 HydrophobicContact CG2-CG 4.27Å; I362-M381 HydrophobicContact CG2-SD 4.46Å; I368-M381 HydrophobicContact CD1-SD 3.98Å; V379-M381 HydrophobicContact CG2-CG 4.41Å; V379-M381 HydrophobicContact CG2-SD 4.45Å; M381-L384 HydrophobicContact CB-CB 4.24Å; M381-L384 HydrophobicContact CG-CB 4.5Å; M381-L384 HydrophobicContact CG-CD1 4.06Å; M381-L384 HydrophobicContact SD-CB 4.22Å; M381-L384 HydrophobicContact SD-CD1 3.48Å; M381-L384 WeakPolarHBondContact SD-CD1 3.43Å; M381-L384 HydrophobicContact SD-CG 4.49Å; M381-L385 HydrophobicContact CB-CD1 4Å; M381-L385 HydrophobicContact CB-CG 4.03Å; M381-L385 HydrophobicContact CE-CD1 4.44Å; M381-L455 HydrophobicContact CE-CD1 4.37Å; M381-L455 HydrophobicContact SD-CD1 4.12Å
382	G	94.2	Very high	96.1	Very high	10 Å²	10	10 Å²	10	10%	0.103	7%	0.071	C	C	.	.	S	Bend	trans	-95.8	-79.9	167.6	0	0	0	0	0	110.5	L384 L385 A386	G382-L384 VanDerWaalsContact C-N 3.28Å; G382-L384 PolarHBondContact O-N 3.48Å; G382-L384 VanDerWaalsContact O-N 3.14Å; G382-L385 PolarHBondContact O-N 2.96Å; G382-A386 PolarHBondContact O-N 2.9Å
383	G	92.3	Very high	95.4	Very high	14 Å²	14	10.4 Å²	10.4	14%	0.144	8%	0.075	C	C	.	.	H	α-helix	trans	-56.7	-33.6	-172.7	0	0	0	0	0	115	L385 Y406 I442	G383-L385 PolarHBondContact O-N 3.08Å; G383-Y406 PolarHBondContact N-OH 3.11Å; G383-I442 WeakPolarHBondContact O-CD1 3.46Å
384	L	92.7	Very high	94.8	Very high	8 Å²	8	16.3 Å²	16.3	4%	0.042	10%	0.103	C	C	.	.	H	α-helix	trans	-61.2	-33	175.3	-83.1	176.7	0	0	0	113.1	I362 Q363 M381 G382 R445 L451	I362-L384 HydrophobicContact CB-CD1 4.46Å; I362-L384 HydrophobicContact CG2-CD1 3.71Å; Q363-L384 WeakPolarHBondContact O-CD2 3.43Å; M381-L384 HydrophobicContact CB-CB 4.24Å; M381-L384 HydrophobicContact CG-CB 4.5Å; M381-L384 HydrophobicContact CG-CD1 4.06Å; M381-L384 HydrophobicContact SD-CB 4.22Å; M381-L384 HydrophobicContact SD-CD1 3.48Å; M381-L384 WeakPolarHBondContact SD-CD1 3.43Å; M381-L384 HydrophobicContact SD-CG 4.49Å; G382-L384 VanDerWaalsContact C-N 3.28Å; G382-L384 PolarHBondContact O-N 3.48Å; G382-L384 VanDerWaalsContact O-N 3.14Å; L384-R445 WeakPolarHBondContact O-CD 3.22Å; L384-R445 PolarHBondContact O-NH1 3.29Å; L384-L451 WeakPolarHBondContact O-CD2 3.47Å
385	L	96.4	Very high	94.4	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-101.4	-21.2	-174.6	-60.4	-179.8	0	0	0	113	V68 M73 M77 M381 G382 G383 G387 T388 L451	V68-L385 HydrophobicContact CG1-CB 4.14Å; M73-L385 HydrophobicContact CE-CB 3.99Å; M73-L385 HydrophobicContact SD-CD1 4.3Å; M77-L385 HydrophobicContact CE-CD1 4.04Å; M77-L385 HydrophobicContact SD-CD1 3.98Å; M77-L385 HydrophobicContact SD-CD2 4.42Å; M381-L385 HydrophobicContact CB-CD1 4Å; M381-L385 HydrophobicContact CB-CG 4.03Å; M381-L385 HydrophobicContact CE-CD1 4.44Å; G382-L385 PolarHBondContact O-N 2.96Å; G383-L385 PolarHBondContact O-N 3.08Å; L385-G387 PolarHBondContact O-N 3.12Å; L385-T388 WeakPolarHBondContact O-CB 3.41Å; L385-T388 WeakPolarHBondContact O-CG2 3.47Å; L385-T388 PolarHBondContact O-N 3.12Å; L385-T388 PolarHBondContact O-OG1 3.28Å; L385-L451 HydrophobicContact CD2-CD2 4Å
386	A	95	Very high	94.1	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-58.2	-31.5	-176.3	0	0	0	0	0	113.8	V68 G382 T388 S391 K404 Y406 I442	V68-A386 HydrophobicContact CG2-CB 4.1Å; G382-A386 PolarHBondContact O-N 2.9Å; A386-T388 VanDerWaalsContact C-N 3.32Å; A386-T388 PolarHBondContact O-N 3.45Å; A386-S391 WeakPolarHBondContact O-CB 3.21Å; A386-S391 PolarHBondContact O-OG 3.43Å; A386-K404 WeakPolarHBondContact O-CD 3.2Å; A386-Y406 HydrophobicContact CB-CD1 4.42Å; A386-Y406 HydrophobicContact CB-CD2 3.26Å; A386-Y406 HydrophobicContact CB-CE2 3.62Å; A386-Y406 HydrophobicContact CB-CG 3.72Å; A386-I442 HydrophobicContact CB-CG2 4.09Å
387	G	92.9	Very high	93.8	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	4	177.5	0	0	0	0	0	115.1	L385 D444 R445	L385-G387 PolarHBondContact O-N 3.12Å; G387-D444 CarbonylContact O-C 3.5Å; G387-D444 WeakPolarHBondContact O-CA 3.44Å; G387-D444 VanDerWaalsContact O-OD1 3.07Å; G387-R445 PolarHBondContact O-N 3.02Å
388	T	95.9	Very high	93.3	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.164	C	C	.	.	B	Isolated β-bridge	trans	-84.8	158.1	-176.1	60.9	0	0	0	0	112.7	M73 L385 A386 E390 S391 K404 R445 G446 V448 L451	M73-T388 WeakPolarHBondContact CE-OG1 3.42Å; L385-T388 WeakPolarHBondContact O-CB 3.41Å; L385-T388 WeakPolarHBondContact O-CG2 3.47Å; L385-T388 PolarHBondContact O-N 3.12Å; L385-T388 PolarHBondContact O-OG1 3.28Å; A386-T388 VanDerWaalsContact C-N 3.32Å; A386-T388 PolarHBondContact O-N 3.45Å; T388-E390 PolarHBondContact O-N 2.9Å; T388-S391 PolarHBondContact O-N 3.27Å; T388-S391 VanDerWaalsContact O-N 3.17Å; T388-S391 PolarHBondContact O-OG 2.92Å; T388-K404 VanDerWaalsContact O-CE 3.26Å; T388-K404 WeakPolarHBondContact O-CE 3.35Å; T388-K404 PolarHBondContact O-NZ 3.42Å; T388-R445 HydrophobicContact CG2-CB 4.4Å; T388-G446 CarbonylContact C-O 3.54Å; T388-G446 WeakPolarHBondContact CA-O 3.3Å; T388-G446 VanDerWaalsContact CB-O 3.3Å; T388-G446 WeakPolarHBondContact CB-O 3.36Å; T388-V448 HydrophobicContact CG2-CG2 3.85Å; T388-V448 WeakPolarHBondContact OG1-CG2 3.29Å; T388-L451 HydrophobicContact CG2-CD2 3.68Å
389	T	95.1	Very high	92.9	Very high	72 Å²	72	38 Å²	38	44%	0.442	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-41.7	179.2	-55	0	0	0	0	112.4	S391 Y395 K404 G446	T389-S391 VanDerWaalsContact C-N 3.34Å; T389-S391 PolarHBondContact O-N 2.96Å; T389-Y395 WeakPolarHBondContact CA-OH 2.9Å; T389-K404 PolarHBondContact O-NZ 2.98Å; T389-K404 VanDerWaalsContact O-NZ 3.16Å; T389-G446 PolarHBondContact N-O 3.42Å; T389-G446 PolarHBondContact OG1-O 3.3Å
390	E	95.7	Very high	92.5	Very high	30 Å²	30	41.6 Å²	41.6	14%	0.14	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-11.9	-174.4	-60.7	78.1	-168.6	0	0	114.2	K72 M73 A76 T388 S447 V448 H449	K72-E390 HydrophobicContact CB-CB 4.44Å; M73-E390 HydrophobicContact CE-CB 4.46Å; M73-E390 PolarHBondContact N-O 3.37Å; A76-E390 HydrophobicContact CB-CB 4.32Å; A76-E390 HydrophobicContact CB-CG 3.88Å; T388-E390 PolarHBondContact O-N 2.9Å; E390-S447 WeakPolarHBondContact OE1-CB 3.48Å; E390-S447 PolarHBondContact OE1-OG 3.28Å; E390-S447 WeakPolarHBondContact OE2-CA 3.46Å; E390-V448 HydrophobicContact CB-CG2 4.41Å; E390-V448 WeakPolarHBondContact OE2-CG2 3.36Å; E390-V448 PolarHBondContact OE2-N 3.4Å; E390-H449 IonicContact OE1-CD2 2.76Å
391	S	95.9	Very high	92.1	Very high	7 Å²	7	44.6 Å²	44.6	5%	0.049	26%	0.261	C	S	.	.	S	Bend	trans	-66.7	149.2	177.4	73.8	0	0	0	0	111.8	V68 A386 T388 T389 G393 K404	V68-S391 WeakPolarHBondContact O-CA 3.49Å; A386-S391 WeakPolarHBondContact O-CB 3.21Å; A386-S391 PolarHBondContact O-OG 3.43Å; T388-S391 PolarHBondContact O-N 3.27Å; T388-S391 VanDerWaalsContact O-N 3.17Å; T388-S391 PolarHBondContact O-OG 2.92Å; T389-S391 VanDerWaalsContact C-N 3.34Å; T389-S391 PolarHBondContact O-N 2.96Å; S391-G393 PolarHBondContact O-N 3.45Å; S391-K404 PolarHBondContact O-NZ 3.49Å; S391-K404 WeakPolarHBondContact OG-CD 3.49Å; S391-K404 PolarHBondContact OG-NZ 2.99Å
392	A	89.4	Confident	91.9	Very high	31 Å²	31	48.1 Å²	48.1	26%	0.256	28%	0.276	S	S	.	.	S	Bend	trans	-69.1	-19.2	-177.2	0	0	0	0	0	114.1	D66 E70	D66-A392 VanDerWaalsContact O-CB 3.24Å; D66-A392 WeakPolarHBondContact O-CB 3.39Å; E70-A392 HydrophobicContact CB-CB 4.27Å; E70-A392 HydrophobicContact CG-CB 3.71Å
393	G	83.4	Confident	91.8	Very high	8 Å²	8	48.6 Å²	48.6	8%	0.082	28%	0.276	C	S	.	.	S	Bend	trans	-61.1	138	178.7	0	0	0	0	0	113.3	S391 K404	S391-G393 PolarHBondContact O-N 3.45Å; G393-K404 VanDerWaalsContact O-CD 3.3Å; G393-K404 WeakPolarHBondContact O-CD 3.29Å; G393-K404 WeakPolarHBondContact O-CE 3.29Å; G393-K404 PolarHBondContact O-NZ 3.49Å
394	E	85.6	Confident	91.8	Very high	123 Å²	123	48.1 Å²	48.1	58%	0.575	27%	0.27	S	S	*	.	P	Polyproline II helix	trans	-70.4	144.3	174.8	-63.1	-179.6	146.9	0	0	111.7	K404 K405	E394-K404 WeakPolarHBondContact O-CA 3.43Å; E394-K405 PolarHBondContact O-N 3.48Å; E394-K405 IonicContact OE2-NZ 2.91Å; E394-K405 PolarHBondContact OE2-NZ 2.85Å
395	Y	90.6	Very high	91.8	Very high	74 Å²	74	51.6 Å²	51.6	29%	0.29	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	138	169.6	-78.5	-70.1	0	0	0	111.1	T389 K402 L403 K404 D444	T389-Y395 WeakPolarHBondContact CA-OH 2.9Å; Y395-K402 HydrophobicContact CD1-CD 4.18Å; Y395-K402 VanDerWaalsContact CD1-CE 3.46Å; Y395-K402 HydrophobicContact CD1-CG 3.72Å; Y395-K402 HydrophobicContact CE1-CD 4.18Å; Y395-K402 VanDerWaalsContact CE1-CE 3.42Å; Y395-K402 HydrophobicContact CE1-CG 4.03Å; Y395-L403 CarbonylContact C-O 3.42Å; Y395-L403 VanDerWaalsContact CA-O 3.29Å; Y395-L403 WeakPolarHBondContact CA-O 3.12Å; Y395-L403 WeakPolarHBondContact CD1-O 3.31Å; Y395-K404 HydrophobicContact CD1-CD 4.37Å; Y395-K404 HydrophobicContact CD1-CG 3.53Å; Y395-K404 HydrophobicContact CE1-CD 4.08Å; Y395-K404 HydrophobicContact CE1-CG 3.59Å; Y395-K404 HydrophobicContact CG-CG 4.08Å; Y395-D444 HydrophobicContact CE1-CB 3.93Å; Y395-D444 VanDerWaalsContact CE1-CG 3.49Å; Y395-D444 WeakPolarHBondContact CE1-OD1 3.26Å; Y395-D444 PolarHBondContact OH-OD1 3.43Å
396	I	91.9	Very high	91.5	Very high	50 Å²	50	52.5 Å²	52.5	26%	0.256	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	158.4	169.4	68.4	174.3	0	0	0	108.8	L403 K405 T441	I396-L403 HydrophobicContact CD1-CB 4.45Å; I396-L403 HydrophobicContact CG1-CB 3.84Å; I396-L403 PolarHBondContact N-O 2.85Å; I396-L403 PolarHBondContact O-N 2.87Å; I396-L403 VanDerWaalsContact O-O 3.07Å; I396-K405 HydrophobicContact CG2-CG 4.29Å; I396-T441 HydrophobicContact CD1-CG2 3.45Å; I396-T441 VanDerWaalsContact CD1-CG2 3.45Å
397	F	90.9	Very high	91.2	Very high	152 Å²	152	53.3 Å²	53.3	67%	0.667	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.2	130	173.1	-68.9	-91.7	0	0	0	109	V401 K402	F397-V401 WeakPolarHBondContact CA-O 3.44Å; F397-K402 HydrophobicContact CD1-CB 4.17Å; F397-K402 HydrophobicContact CD1-CG 4.46Å; F397-K402 HydrophobicContact CE1-CB 3.78Å; F397-K402 HydrophobicContact CE1-CD 4.17Å; F397-K402 HydrophobicContact CE1-CG 3.83Å; F397-K402 HydrophobicContact CZ-CB 4.45Å; F397-K402 HydrophobicContact CZ-CD 4.13Å; F397-K402 HydrophobicContact CZ-CG 3.99Å
398	S	89.8	Confident	90.8	Very high	55 Å²	55	53.6 Å²	53.6	39%	0.385	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	126.8	172.1	-167	0	0	0	0	108.2	G400 V401	S398-G400 PolarHBondContact O-N 2.87Å; S398-G400 VanDerWaalsContact O-N 3.14Å; S398-V401 PolarHBondContact N-O 3.29Å; S398-V401 VanDerWaalsContact N-O 3.09Å; S398-V401 WeakPolarHBondContact O-CB 3.44Å; S398-V401 PolarHBondContact O-N 3.44Å
399	D	89.8	Confident	90.4	Very high	160 Å²	160	53.7 Å²	53.7	86%	0.856	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	51	38.1	178.9	-53.2	-46.4	0	0	0	114.1	V401	D399-V401 PolarHBondContact O-N 3.12Å
400	G	89.8	Confident	89.8	Confident	77 Å²	77	50.3 Å²	50.3	79%	0.794	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.7	-2.3	-177.9	0	0	0	0	0	114.9	S398	S398-G400 PolarHBondContact O-N 2.87Å; S398-G400 VanDerWaalsContact O-N 3.14Å
401	V	90.7	Very high	89.4	Confident	64 Å²	64	49 Å²	49	39%	0.388	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	130.1	176.3	-171.1	0	0	0	0	109.8	F397 S398 D399 L403 I443	F397-V401 WeakPolarHBondContact CA-O 3.44Å; S398-V401 PolarHBondContact N-O 3.29Å; S398-V401 VanDerWaalsContact N-O 3.09Å; S398-V401 WeakPolarHBondContact O-CB 3.44Å; S398-V401 PolarHBondContact O-N 3.44Å; D399-V401 PolarHBondContact O-N 3.12Å; V401-L403 HydrophobicContact CB-CD2 4.28Å; V401-L403 HydrophobicContact CB-CG 4.49Å; V401-L403 HydrophobicContact CG1-CD2 3.6Å; V401-L403 HydrophobicContact CG1-CG 4.24Å; V401-I443 HydrophobicContact CG1-CG1 4.42Å; V401-I443 HydrophobicContact CG1-CG2 4.45Å
402	K	91.7	Very high	88.9	Confident	76 Å²	76	53.4 Å²	53.4	33%	0.33	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	118	173.1	-170.1	176	174.8	-137.5	0	109.6	Y395 F397 D444	Y395-K402 HydrophobicContact CD1-CD 4.18Å; Y395-K402 VanDerWaalsContact CD1-CE 3.46Å; Y395-K402 HydrophobicContact CD1-CG 3.72Å; Y395-K402 HydrophobicContact CE1-CD 4.18Å; Y395-K402 VanDerWaalsContact CE1-CE 3.42Å; Y395-K402 HydrophobicContact CE1-CG 4.03Å; F397-K402 HydrophobicContact CD1-CB 4.17Å; F397-K402 HydrophobicContact CD1-CG 4.46Å; F397-K402 HydrophobicContact CE1-CB 3.78Å; F397-K402 HydrophobicContact CE1-CD 4.17Å; F397-K402 HydrophobicContact CE1-CG 3.83Å; F397-K402 HydrophobicContact CZ-CB 4.45Å; F397-K402 HydrophobicContact CZ-CD 4.13Å; F397-K402 HydrophobicContact CZ-CG 3.99Å; K402-D444 HydrophobicContact CB-CB 4.34Å; K402-D444 HydrophobicContact CD-CB 4.43Å; K402-D444 WeakPolarHBondContact CD-OD2 3.44Å; K402-D444 HydrophobicContact CG-CB 4.21Å; K402-D444 IonicContact NZ-OD2 2.78Å; K402-D444 PolarHBondContact NZ-OD2 2.97Å; K402-D444 WeakPolarHBondContact O-CB 3.4Å; K402-D444 PolarHBondContact O-N 3.29Å
403	L	93.1	Very high	88.8	Confident	19 Å²	19	55.7 Å²	55.7	10%	0.099	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	161.2	-175.5	-54	174.4	0	0	0	110.3	Y395 I396 V401 I442 I443	Y395-L403 CarbonylContact C-O 3.42Å; Y395-L403 VanDerWaalsContact CA-O 3.29Å; Y395-L403 WeakPolarHBondContact CA-O 3.12Å; Y395-L403 WeakPolarHBondContact CD1-O 3.31Å; I396-L403 HydrophobicContact CD1-CB 4.45Å; I396-L403 HydrophobicContact CG1-CB 3.84Å; I396-L403 PolarHBondContact N-O 2.85Å; I396-L403 PolarHBondContact O-N 2.87Å; I396-L403 VanDerWaalsContact O-O 3.07Å; V401-L403 HydrophobicContact CB-CD2 4.28Å; V401-L403 HydrophobicContact CB-CG 4.49Å; V401-L403 HydrophobicContact CG1-CD2 3.6Å; V401-L403 HydrophobicContact CG1-CG 4.24Å; L403-I442 CarbonylContact C-O 3.55Å; L403-I442 WeakPolarHBondContact CA-O 3.45Å; L403-I443 HydrophobicContact CD2-CB 4.26Å; L403-I443 HydrophobicContact CD2-CG1 3.73Å
404	K	92.5	Very high	88.8	Confident	4 Å²	4	55.3 Å²	55.3	2%	0.017	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	146.4	164.9	-79.6	-164.5	168.5	-164.7	0	111.2	A386 T388 T389 S391 G393 E394 Y395 T441 I442	A386-K404 WeakPolarHBondContact O-CD 3.2Å; T388-K404 VanDerWaalsContact O-CE 3.26Å; T388-K404 WeakPolarHBondContact O-CE 3.35Å; T388-K404 PolarHBondContact O-NZ 3.42Å; T389-K404 PolarHBondContact O-NZ 2.98Å; T389-K404 VanDerWaalsContact O-NZ 3.16Å; S391-K404 PolarHBondContact O-NZ 3.49Å; S391-K404 WeakPolarHBondContact OG-CD 3.49Å; S391-K404 PolarHBondContact OG-NZ 2.99Å; G393-K404 VanDerWaalsContact O-CD 3.3Å; G393-K404 WeakPolarHBondContact O-CD 3.29Å; G393-K404 WeakPolarHBondContact O-CE 3.29Å; G393-K404 PolarHBondContact O-NZ 3.49Å; E394-K404 WeakPolarHBondContact O-CA 3.43Å; Y395-K404 HydrophobicContact CD1-CD 4.37Å; Y395-K404 HydrophobicContact CD1-CG 3.53Å; Y395-K404 HydrophobicContact CE1-CD 4.08Å; Y395-K404 HydrophobicContact CE1-CG 3.59Å; Y395-K404 HydrophobicContact CG-CG 4.08Å; K404-T441 CarbonylContact O-C 3.57Å; K404-T441 VanDerWaalsContact O-CA 3.29Å; K404-T441 WeakPolarHBondContact O-CA 3.41Å; K404-I442 HydrophobicContact CB-CG2 4.2Å; K404-I442 PolarHBondContact N-O 3.09Å; K404-I442 PolarHBondContact O-N 2.87Å
405	K	90.9	Very high	88.8	Confident	82 Å²	82	49.6 Å²	49.6	36%	0.357	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	133.5	169	-67.3	177	-174.3	160.2	0	109.8	E394 I396	E394-K405 PolarHBondContact O-N 3.48Å; E394-K405 IonicContact OE2-NZ 2.91Å; E394-K405 PolarHBondContact OE2-NZ 2.85Å; I396-K405 HydrophobicContact CG2-CG 4.29Å
406	Y	90.5	Very high	88.5	Confident	18 Å²	18	50.4 Å²	50.4	7%	0.071	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	121.3	176.6	178.7	-126.8	0	0	0	109.5	M65 T67 V68 I325 G383 A386 G440	M65-Y406 HydrophobicContact CE-CD2 4.24Å; M65-Y406 HydrophobicContact CE-CE2 3.41Å; M65-Y406 VanDerWaalsContact CE-CE2 3.41Å; M65-Y406 HydrophobicContact SD-CE2 4.32Å; T67-Y406 WeakPolarHBondContact OG1-CD2 3.35Å; V68-Y406 HydrophobicContact CG2-CD2 4.32Å; V68-Y406 HydrophobicContact CG2-CE2 3.84Å; I325-Y406 HydrophobicContact CB-CE1 4.33Å; I325-Y406 HydrophobicContact CD1-CD1 4.22Å; I325-Y406 HydrophobicContact CD1-CD2 4.47Å; I325-Y406 HydrophobicContact CD1-CE1 3.68Å; I325-Y406 HydrophobicContact CD1-CE2 3.96Å; I325-Y406 HydrophobicContact CG1-CE1 3.98Å; I325-Y406 HydrophobicContact CG2-CD1 3.64Å; I325-Y406 HydrophobicContact CG2-CE1 3.45Å; I325-Y406 VanDerWaalsContact CG2-CE1 3.45Å; G383-Y406 PolarHBondContact N-OH 3.11Å; A386-Y406 HydrophobicContact CB-CD1 4.42Å; A386-Y406 HydrophobicContact CB-CD2 3.26Å; A386-Y406 HydrophobicContact CB-CE2 3.62Å; A386-Y406 HydrophobicContact CB-CG 3.72Å; Y406-G440 PolarHBondContact N-O 3.26Å; Y406-G440 CarbonylContact O-C 3.54Å; Y406-G440 PolarHBondContact O-N 3.5Å
407	R	89.8	Confident	87.9	Confident	17 Å²	17	52.7 Å²	52.7	6%	0.064	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	154.3	-174.1	73	-173.8	-179.5	-173.5	4.3	112.1	M65 D66 T67 I325 E413 S439	M65-R407 WeakPolarHBondContact CE-O 3.1Å; D66-R407 VanDerWaalsContact CG-NH2 3.28Å; D66-R407 IonicContact OD1-CZ 2.69Å; D66-R407 IonicContact OD1-NE 3.11Å; D66-R407 PolarHBondContact OD1-NE 3.08Å; D66-R407 IonicContact OD1-NH2 2.88Å; D66-R407 IonicContact OD2-CZ 3.11Å; D66-R407 IonicContact OD2-NE 2.66Å; D66-R407 PolarHBondContact OD2-NE 2.88Å; D66-R407 IonicContact OD2-NH2 3.59Å; D66-R407 PolarHBondContact OD2-NH2 2.77Å; T67-R407 HydrophobicContact CG2-CG 3.88Å; T67-R407 PolarHBondContact OG1-N 3.04Å; T67-R407 PolarHBondContact OG1-O 3.2Å; I325-R407 WeakPolarHBondContact CD1-O 3.38Å; R407-E413 IonicContact CZ-OE1 2.87Å; R407-E413 VanDerWaalsContact NH1-CD 3.32Å; R407-E413 IonicContact NH1-OE1 2.88Å; R407-E413 PolarHBondContact NH1-OE1 2.85Å; R407-S439 WeakPolarHBondContact CB-OG 3.34Å
408	G	84.2	Confident	87.4	Confident	6 Å²	6	49.1 Å²	49.1	6%	0.062	28%	0.277	C	S	.	.			trans	-85.9	146	-179	0	0	0	0	0	110.1	G410 S411 A414 V438	G408-G410 PolarHBondContact O-N 3.43Å; G408-S411 VanDerWaalsContact O-CB 3.24Å; G408-S411 WeakPolarHBondContact O-CB 3.41Å; G408-S411 PolarHBondContact O-N 2.96Å; G408-S411 PolarHBondContact O-OG 3.25Å; G408-A414 VanDerWaalsContact O-CB 3.26Å; G408-A414 WeakPolarHBondContact O-CB 3.41Å; G408-V438 PolarHBondContact N-O 2.82Å
409	M	86.2	Confident	87	Confident	3 Å²	3	49 Å²	49	2%	0.015	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-19.8	173.1	-56.5	-45	-63.5	0	0	112.3	M65 N89 S421 Y425	M65-M409 HydrophobicContact CB-SD 4.06Å; M65-M409 HydrophobicContact CG-CG 4.07Å; M65-M409 HydrophobicContact CG-SD 4.14Å; N89-M409 HydrophobicContact CB-CE 3.51Å; M409-S421 WeakPolarHBondContact CE-OG 3.36Å; M409-S421 WeakPolarHBondContact O-CB 3.33Å; M409-Y425 VanDerWaalsContact C-CE2 3.49Å; M409-Y425 HydrophobicContact CB-CE2 4.41Å; M409-Y425 WeakPolarHBondContact O-CE2 3.34Å
410	G	82.9	Confident	86.7	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	6.8	174.6	0	0	0	0	0	114.8	G408 Y425 A435 Q436 G437	G408-G410 PolarHBondContact O-N 3.43Å; G410-Y425 WeakPolarHBondContact CA-OH 3.24Å; G410-Y425 VanDerWaalsContact N-CE2 3.27Å; G410-Y425 PolarHBondContact N-OH 3.48Å; G410-A435 CarbonylContact O-C 3.41Å; G410-A435 WeakPolarHBondContact O-CA 3.25Å; G410-Q436 PolarHBondContact O-N 3.13Å; G410-G437 PolarHBondContact O-N 3.32Å
411	S	87	Confident	86.1	Confident	2 Å²	2	38.7 Å²	38.7	1%	0.014	20%	0.2	C	C	.	.	S	Bend	trans	-74.4	150.3	170.8	67.3	0	0	0	0	110.2	G408 E413 A414 M415 G437	G408-S411 VanDerWaalsContact O-CB 3.24Å; G408-S411 WeakPolarHBondContact O-CB 3.41Å; G408-S411 PolarHBondContact O-N 2.96Å; G408-S411 PolarHBondContact O-OG 3.25Å; S411-E413 PolarHBondContact O-N 3.33Å; S411-A414 PolarHBondContact O-N 3.17Å; S411-A414 WeakPolarHBondContact OG-CB 3.34Å; S411-A414 PolarHBondContact OG-N 2.92Å; S411-M415 WeakPolarHBondContact O-CB 3.43Å; S411-M415 VanDerWaalsContact O-CG 3.25Å; S411-M415 WeakPolarHBondContact O-CG 3.48Å; S411-M415 PolarHBondContact O-N 3.29Å; S411-G437 WeakPolarHBondContact CA-O 3.45Å
412	L	86.9	Confident	85.8	Confident	100 Å²	100	37 Å²	37	52%	0.524	19%	0.188	S	C	.	.	H	α-helix	trans	-56.4	-37	175	-66.5	177.3	0	0	0	111.7	M415 S416 K433 A435	L412-M415 PolarHBondContact O-N 2.75Å; L412-S416 WeakPolarHBondContact O-CB 3.38Å; L412-S416 PolarHBondContact O-N 3.44Å; L412-S416 PolarHBondContact O-OG 2.81Å; L412-K433 HydrophobicContact CD2-CB 4.05Å; L412-A435 HydrophobicContact CD2-CB 4.1Å; L412-A435 HydrophobicContact CG-CB 3.97Å
413	E	86.5	Confident	85.3	Confident	79 Å²	79	33.6 Å²	33.6	37%	0.369	17%	0.173	S	C	.	.	H	α-helix	trans	-62.5	-50.9	179.2	-161.9	-164.9	149.2	0	0	111.3	R407 S411 S416 Q417 S439	R407-E413 IonicContact CZ-OE1 2.87Å; R407-E413 VanDerWaalsContact NH1-CD 3.32Å; R407-E413 IonicContact NH1-OE1 2.88Å; R407-E413 PolarHBondContact NH1-OE1 2.85Å; S411-E413 PolarHBondContact O-N 3.33Å; E413-S416 PolarHBondContact O-N 3.44Å; E413-S416 PolarHBondContact O-OG 2.82Å; E413-Q417 PolarHBondContact O-N 2.79Å; E413-S439 VanDerWaalsContact OE2-CB 3.29Å; E413-S439 WeakPolarHBondContact OE2-CB 3.39Å; E413-S439 PolarHBondContact OE2-OG 3.2Å
414	A	83.1	Confident	84.9	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-64.4	-42.2	177.3	0	0	0	0	0	112.3	N89 G408 S411 S416 Q417 S421	N89-A414 PolarHBondContact ND2-O 2.9Å; G408-A414 VanDerWaalsContact O-CB 3.26Å; G408-A414 WeakPolarHBondContact O-CB 3.41Å; S411-A414 PolarHBondContact O-N 3.17Å; S411-A414 WeakPolarHBondContact OG-CB 3.34Å; S411-A414 PolarHBondContact OG-N 2.92Å; A414-S416 VanDerWaalsContact C-N 3.28Å; A414-S416 PolarHBondContact O-N 2.72Å; A414-Q417 PolarHBondContact O-N 2.81Å; A414-S421 PolarHBondContact O-OG 3.15Å
415	M	86	Confident	84.5	Confident	3 Å²	3	35 Å²	35	2%	0.015	18%	0.178	C	C	.	.	H	α-helix	trans	-64.1	-30.4	177.2	-70.5	175.6	70.3	0	0	113.1	S411 L412 Q422 S427 K433	S411-M415 WeakPolarHBondContact O-CB 3.43Å; S411-M415 VanDerWaalsContact O-CG 3.25Å; S411-M415 WeakPolarHBondContact O-CG 3.48Å; S411-M415 PolarHBondContact O-N 3.29Å; L412-M415 PolarHBondContact O-N 2.75Å; M415-Q422 HydrophobicContact CB-CG 3.95Å; M415-Q422 HydrophobicContact CE-CB 4.39Å; M415-Q422 HydrophobicContact CE-CG 4.12Å; M415-Q422 HydrophobicContact CG-CG 4.34Å; M415-Q422 WeakPolarHBondContact O-CG 3.18Å; M415-Q422 PolarHBondContact O-NE2 3.47Å; M415-S427 WeakPolarHBondContact CE-OG 3.3Å; M415-K433 HydrophobicContact CE-CB 4.03Å; M415-K433 HydrophobicContact CE-CD 4.27Å; M415-K433 HydrophobicContact CE-CG 4.37Å
416	S	83.4	Confident	84.1	Confident	91 Å²	91	35.4 Å²	35.4	64%	0.636	18%	0.18	S	C	*	.	H	α-helix	trans	-77.2	-22.5	179	70.3	0	0	0	0	113.8	L412 E413 A414	L412-S416 WeakPolarHBondContact O-CB 3.38Å; L412-S416 PolarHBondContact O-N 3.44Å; L412-S416 PolarHBondContact O-OG 2.81Å; E413-S416 PolarHBondContact O-N 3.44Å; E413-S416 PolarHBondContact O-OG 2.82Å; A414-S416 VanDerWaalsContact C-N 3.28Å; A414-S416 PolarHBondContact O-N 2.72Å
417	Q	79.4	Confident	83.6	Confident	98 Å²	98	34.8 Å²	34.8	46%	0.458	18%	0.178	S	C	.	.	H	α-helix	trans	-78.2	-48.7	-177	-73.7	-165.6	-4	0	0	112.9	E413 A414	E413-Q417 PolarHBondContact O-N 2.79Å; A414-Q417 PolarHBondContact O-N 2.81Å
418	H	80.7	Confident	83	Confident	77 Å²	77	36.9 Å²	36.9	36%	0.356	19%	0.188	S	C	.	.			trans	-143.1	155	175.2	-55.5	-83.1	0	0	0	112	N89 E420	N89-H418 VanDerWaalsContact C-CD2 3.49Å; N89-H418 PolarHBondContact O-CD2 3.28Å; N89-H418 VanDerWaalsContact OD1-CB 3.32Å; N89-H418 WeakPolarHBondContact OD1-CB 3.25Å; H418-E420 VanDerWaalsContact CB-OE2 3.22Å; H418-E420 WeakPolarHBondContact CB-OE2 3.37Å; H418-E420 PolarHBondContact O-N 3.26Å
419	T	81.7	Confident	82.6	Confident	52 Å²	52	42 Å²	42	32%	0.319	22%	0.223	S	C	.	.	H	α-helix	trans	-66.3	-21.9	-176.2	52.1	0	0	0	0	113.3	R250 S421 Q422 A423	R250-T419 PolarHBondContact NH2-OG1 3.45Å; T419-S421 VanDerWaalsContact C-N 3.31Å; T419-S421 PolarHBondContact O-N 2.97Å; T419-Q422 WeakPolarHBondContact O-CA 3.46Å; T419-Q422 VanDerWaalsContact O-CB 3.27Å; T419-Q422 WeakPolarHBondContact O-CB 3.2Å; T419-Q422 PolarHBondContact O-N 3.08Å; T419-A423 PolarHBondContact O-N 3.33Å
420	E	83.6	Confident	82.3	Confident	21 Å²	21	45.3 Å²	45.3	10%	0.098	24%	0.241	C	C	.	.	H	α-helix	trans	-64.1	-36.8	-176.2	-71.9	83	167.3	0	0	111.6	N88 R254 H418 Q422 A423 R424	N88-E420 WeakPolarHBondContact O-CB 3.04Å; N88-E420 VanDerWaalsContact O-CG 3.29Å; N88-E420 WeakPolarHBondContact O-CG 3.24Å; R254-E420 IonicContact NH2-OE1 3.95Å; R254-E420 PolarHBondContact NH2-OE1 2.95Å; H418-E420 VanDerWaalsContact CB-OE2 3.22Å; H418-E420 WeakPolarHBondContact CB-OE2 3.37Å; H418-E420 PolarHBondContact O-N 3.26Å; E420-Q422 VanDerWaalsContact C-N 3.32Å; E420-A423 WeakPolarHBondContact O-CB 3.34Å; E420-A423 PolarHBondContact O-N 3.15Å; E420-R424 PolarHBondContact O-N 3.02Å
421	S	77.4	Confident	82	Confident	1 Å²	1	57.2 Å²	57.2	1%	0.007	29%	0.286	C	S	.	.	H	α-helix	trans	-63.9	-37.5	170.5	-68.6	0	0	0	0	112	N89 M409 A414 T419 Y425	N89-S421 PolarHBondContact ND2-OG 3.17Å; N89-S421 PolarHBondContact OD1-OG 3.12Å; M409-S421 WeakPolarHBondContact CE-OG 3.36Å; M409-S421 WeakPolarHBondContact O-CB 3.33Å; A414-S421 PolarHBondContact O-OG 3.15Å; T419-S421 VanDerWaalsContact C-N 3.31Å; T419-S421 PolarHBondContact O-N 2.97Å; S421-Y425 VanDerWaalsContact O-CD2 3.24Å; S421-Y425 WeakPolarHBondContact O-CD2 3.35Å
422	Q	84.3	Confident	81.8	Confident	29 Å²	29	63.5 Å²	63.5	14%	0.136	32%	0.318	C	S	.	.	H	α-helix	trans	-69.6	-37.9	178.6	-55.5	176.2	26.4	0	0	111.7	M415 T419 E420 R424 Y425 F426 S427 E428 K433	M415-Q422 HydrophobicContact CB-CG 3.95Å; M415-Q422 HydrophobicContact CE-CB 4.39Å; M415-Q422 HydrophobicContact CE-CG 4.12Å; M415-Q422 HydrophobicContact CG-CG 4.34Å; M415-Q422 WeakPolarHBondContact O-CG 3.18Å; M415-Q422 PolarHBondContact O-NE2 3.47Å; T419-Q422 WeakPolarHBondContact O-CA 3.46Å; T419-Q422 VanDerWaalsContact O-CB 3.27Å; T419-Q422 WeakPolarHBondContact O-CB 3.2Å; T419-Q422 PolarHBondContact O-N 3.08Å; E420-Q422 VanDerWaalsContact C-N 3.32Å; Q422-R424 VanDerWaalsContact C-N 3.29Å; Q422-R424 PolarHBondContact O-N 2.77Å; Q422-Y425 CarbonylContact O-C 3.54Å; Q422-Y425 PolarHBondContact O-N 3.35Å; Q422-Y425 VanDerWaalsContact O-N 3.12Å; Q422-F426 PolarHBondContact O-N 3.48Å; Q422-S427 PolarHBondContact O-N 2.88Å; Q422-S427 VanDerWaalsContact O-N 3.09Å; Q422-S427 PolarHBondContact O-OG 3.45Å; Q422-E428 HydrophobicContact CB-CG 3.86Å; Q422-K433 VanDerWaalsContact OE1-CE 3.3Å
423	A	81.7	Confident	81.7	Confident	3 Å²	3	61.7 Å²	61.7	3%	0.025	31%	0.305	C	S	.	.	H	α-helix	trans	-58.2	-39.4	177.5	0	0	0	0	0	112.9	Q248 T419 E420 Y425 F426 E428	Q248-A423 HydrophobicContact CG-CB 4.38Å; T419-A423 PolarHBondContact O-N 3.33Å; E420-A423 WeakPolarHBondContact O-CB 3.34Å; E420-A423 PolarHBondContact O-N 3.15Å; A423-Y425 PolarHBondContact O-N 3.26Å; A423-Y425 VanDerWaalsContact O-N 3.11Å; A423-F426 PolarHBondContact O-N 3.19Å; A423-F426 VanDerWaalsContact O-N 3.12Å; A423-E428 HydrophobicContact CB-CG 4.14Å
424	R	85.2	Confident	81.6	Confident	30 Å²	30	61.6 Å²	61.6	11%	0.113	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-25.5	177.4	-176.8	176.2	176.6	167.8	-1.3	113.5	D269 S271 E420 Q422	D269-R424 IonicContact OD1-CZ 3.7Å; D269-R424 IonicContact OD1-NE 3.35Å; D269-R424 IonicContact OD1-NH1 3.26Å; D269-R424 PolarHBondContact OD1-NH1 2.72Å; D269-R424 IonicContact OD1-NH2 2.79Å; D269-R424 PolarHBondContact OD1-NH2 3.45Å; D269-R424 WeakPolarHBondContact OD2-CD 3.43Å; D269-R424 IonicContact OD2-CZ 3.71Å; D269-R424 IonicContact OD2-NE 2.86Å; D269-R424 PolarHBondContact OD2-NE 3.48Å; D269-R424 IonicContact OD2-NH1 2.74Å; D269-R424 PolarHBondContact OD2-NH1 2.85Å; S271-R424 WeakPolarHBondContact CB-O 3.44Å; S271-R424 PolarHBondContact N-O 2.96Å; S271-R424 VanDerWaalsContact N-O 3.09Å; S271-R424 PolarHBondContact OG-O 3.11Å; E420-R424 PolarHBondContact O-N 3.02Å; Q422-R424 VanDerWaalsContact C-N 3.29Å; Q422-R424 PolarHBondContact O-N 2.77Å
425	Y	84	Confident	81.9	Confident	24 Å²	24	62.8 Å²	62.8	9%	0.094	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.1	14.8	-178.8	-56.7	-81.8	0	0	0	113.2	M409 G410 S421 Q422 A423 S427 Q436	M409-Y425 VanDerWaalsContact C-CE2 3.49Å; M409-Y425 HydrophobicContact CB-CE2 4.41Å; M409-Y425 WeakPolarHBondContact O-CE2 3.34Å; G410-Y425 WeakPolarHBondContact CA-OH 3.24Å; G410-Y425 VanDerWaalsContact N-CE2 3.27Å; G410-Y425 PolarHBondContact N-OH 3.48Å; S421-Y425 VanDerWaalsContact O-CD2 3.24Å; S421-Y425 WeakPolarHBondContact O-CD2 3.35Å; Q422-Y425 CarbonylContact O-C 3.54Å; Q422-Y425 PolarHBondContact O-N 3.35Å; Q422-Y425 VanDerWaalsContact O-N 3.12Å; A423-Y425 PolarHBondContact O-N 3.26Å; A423-Y425 VanDerWaalsContact O-N 3.11Å; Y425-S427 PolarHBondContact O-N 3.26Å; Y425-Q436 HydrophobicContact CD1-CB 3.83Å; Y425-Q436 HydrophobicContact CD1-CG 3.99Å; Y425-Q436 HydrophobicContact CE1-CB 3.67Å; Y425-Q436 HydrophobicContact CE1-CG 4.33Å
426	F	81.7	Confident	82.1	Confident	90 Å²	90	63.7 Å²	63.7	40%	0.395	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.9	32.6	-179.6	-56.4	-75.1	0	0	0	114.4	Y277 Q422 A423	Y277-F426 AromaticContact CD2-CE1 3.84Å; Y277-F426 HydrophobicContact CD2-CE1 3.84Å; Y277-F426 HydrophobicContact CE2-CE1 4.25Å; Q422-F426 PolarHBondContact O-N 3.48Å; A423-F426 PolarHBondContact O-N 3.19Å; A423-F426 VanDerWaalsContact O-N 3.12Å
427	S	79.2	Confident	82.4	Confident	4 Å²	4	59.6 Å²	59.6	3%	0.028	30%	0.297	C	S	.	.			trans	-111.4	7.7	-169.2	63.5	0	0	0	0	114	M415 Q422 Y425 S429 D430 K433	M415-S427 WeakPolarHBondContact CE-OG 3.3Å; Q422-S427 PolarHBondContact O-N 2.88Å; Q422-S427 VanDerWaalsContact O-N 3.09Å; Q422-S427 PolarHBondContact O-OG 3.45Å; Y425-S427 PolarHBondContact O-N 3.26Å; S427-S429 VanDerWaalsContact C-N 3.33Å; S427-S429 PolarHBondContact O-N 2.96Å; S427-D430 WeakPolarHBondContact CA-OD2 3.21Å; S427-D430 WeakPolarHBondContact O-CB 3.43Å; S427-D430 PolarHBondContact O-N 3.47Å; S427-D430 VanDerWaalsContact O-N 3.11Å; S427-K433 PolarHBondContact O-NZ 3.41Å
428	E	77.9	Confident	82.9	Confident	61 Å²	61	58.1 Å²	58.1	29%	0.285	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-42	-171.1	-62.3	-178.9	109.1	0	0	113	Q248 R250 Q422 A423 K433	Q248-E428 VanDerWaalsContact CD-CD 3.45Å; Q248-E428 PolarHBondContact NE2-OE1 3.4Å; Q248-E428 PolarHBondContact NE2-OE2 3.35Å; Q248-E428 PolarHBondContact OE1-OE1 3.07Å; Q248-E428 PolarHBondContact OE1-OE2 3.44Å; R250-E428 IonicContact NH2-OE1 3.47Å; R250-E428 PolarHBondContact NH2-OE1 2.97Å; Q422-E428 HydrophobicContact CB-CG 3.86Å; A423-E428 HydrophobicContact CB-CG 4.14Å; E428-K433 PolarHBondContact O-NZ 2.99Å
429	S	76.7	Confident	83.4	Confident	113 Å²	113	57.1 Å²	57.1	79%	0.79	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-7.5	179.6	51.3	0	0	0	0	114.6	S427	S427-S429 VanDerWaalsContact C-N 3.33Å; S427-S429 PolarHBondContact O-N 2.96Å
430	D	78.8	Confident	83.8	Confident	73 Å²	73	56.3 Å²	56.3	39%	0.39	30%	0.298	S	S	.	.			trans	-74.1	134.3	-171.1	-66.2	-15.7	0	0	0	111.6	S427 I432 K433	S427-D430 WeakPolarHBondContact CA-OD2 3.21Å; S427-D430 WeakPolarHBondContact O-CB 3.43Å; S427-D430 PolarHBondContact O-N 3.47Å; S427-D430 VanDerWaalsContact O-N 3.11Å; D430-I432 VanDerWaalsContact C-N 3.35Å; D430-K433 HydrophobicContact CB-CD 4.38Å; D430-K433 WeakPolarHBondContact O-CE 3.12Å; D430-K433 PolarHBondContact O-NZ 3.13Å
431	R	77.8	Confident	84.2	Confident	250 Å²	250	59.1 Å²	59.1	94%	0.943	32%	0.317	S	S	*	.	S	Bend	trans	-67.5	-36.9	172.4	-175.2	179.3	177.2	-173.8	-0.4	111.9
432	I	82.3	Confident	84.9	Confident	134 Å²	134	60.4 Å²	60.4	69%	0.687	32%	0.323	S	S	*	.	S	Bend	trans	-111.7	113.7	177.5	-59.8	175.7	0	0	0	107.3	D430 V434	D430-I432 VanDerWaalsContact C-N 3.35Å; I432-V434 PolarHBondContact O-N 3.45Å
433	K	83.6	Confident	85.3	Confident	62 Å²	62	64.1 Å²	64.1	27%	0.27	34%	0.343	S	S	.	.			trans	-80.7	118.7	176.3	-56.3	-53.6	-170.2	-161.4	0	109.3	L412 M415 Q422 S427 E428 D430	L412-K433 HydrophobicContact CD2-CB 4.05Å; M415-K433 HydrophobicContact CE-CB 4.03Å; M415-K433 HydrophobicContact CE-CD 4.27Å; M415-K433 HydrophobicContact CE-CG 4.37Å; Q422-K433 VanDerWaalsContact OE1-CE 3.3Å; S427-K433 PolarHBondContact O-NZ 3.41Å; E428-K433 PolarHBondContact O-NZ 2.99Å; D430-K433 HydrophobicContact CB-CD 4.38Å; D430-K433 WeakPolarHBondContact O-CE 3.12Å; D430-K433 PolarHBondContact O-NZ 3.13Å
434	V	85.8	Confident	85.8	Confident	77 Å²	77	66 Å²	66	47%	0.467	35%	0.352	S	S	.	.			trans	-91.1	110.4	175.1	179.7	0	0	0	0	108.8	V331 I432	V331-V434 HydrophobicContact CG1-CG1 3.4Å; I432-V434 PolarHBondContact O-N 3.45Å
435	A	89.3	Confident	86.1	Confident	25 Å²	25	68.7 Å²	68.7	21%	0.207	36%	0.362	C	S	.	.			trans	-68.5	133.8	179.8	0	0	0	0	0	111.2	G410 L412	G410-A435 CarbonylContact O-C 3.41Å; G410-A435 WeakPolarHBondContact O-CA 3.25Å; L412-A435 HydrophobicContact CD2-CB 4.1Å; L412-A435 HydrophobicContact CG-CB 3.97Å
436	Q	90	Very high	86.5	Confident	23 Å²	23	68.6 Å²	68.6	11%	0.107	37%	0.369	C	S	.	.			trans	-114.2	9.2	174	-66.4	-167.2	33.4	0	0	112.5	I327 T328 T332 G410 Y425	I327-Q436 PolarHBondContact N-O 2.97Å; T328-Q436 PolarHBondContact N-O 3.38Å; T328-Q436 PolarHBondContact OG1-OE1 2.84Å; T332-Q436 HydrophobicContact CG2-CG 4.2Å; G410-Q436 PolarHBondContact O-N 3.13Å; Y425-Q436 HydrophobicContact CD1-CB 3.83Å; Y425-Q436 HydrophobicContact CD1-CG 3.99Å; Y425-Q436 HydrophobicContact CE1-CB 3.67Å; Y425-Q436 HydrophobicContact CE1-CG 4.33Å
437	G	88.9	Confident	87.2	Confident	5 Å²	5	65.5 Å²	65.5	5%	0.052	36%	0.358	C	S	.	.	B	Isolated β-bridge	trans	-149.2	171.2	173.4	0	0	0	0	0	112	I325 G410 S411	I325-G437 CarbonylContact O-C 3.53Å; I325-G437 WeakPolarHBondContact O-CA 3.28Å; G410-G437 PolarHBondContact O-N 3.32Å; S411-G437 WeakPolarHBondContact CA-O 3.45Å
438	V	90.5	Very high	87.9	Confident	66 Å²	66	65.3 Å²	65.3	40%	0.4	36%	0.357	S	S	.	.			trans	-118.5	161.4	178.8	-62.3	0	0	0	0	111.3	I325 I327 G408	I325-V438 HydrophobicContact CB-CG2 4.07Å; I325-V438 HydrophobicContact CG2-CG2 4.34Å; I325-V438 PolarHBondContact O-N 3.33Å; I327-V438 HydrophobicContact CD1-CG1 4.15Å; I327-V438 HydrophobicContact CG2-CG1 4.07Å; G408-V438 PolarHBondContact N-O 2.82Å
439	S	90.2	Very high	88.6	Confident	56 Å²	56	65.8 Å²	65.8	39%	0.392	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	140.3	166	-65.9	0	0	0	0	109.2	R407 E413	R407-S439 WeakPolarHBondContact CB-OG 3.34Å; E413-S439 VanDerWaalsContact OE2-CB 3.29Å; E413-S439 WeakPolarHBondContact OE2-CB 3.39Å; E413-S439 PolarHBondContact OE2-OG 3.2Å
440	G	91.1	Very high	89.5	Confident	36 Å²	36	66.3 Å²	66.3	37%	0.371	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	-163.2	177.5	0	0	0	0	0	111.8	Y406	Y406-G440 PolarHBondContact N-O 3.26Å; Y406-G440 CarbonylContact O-C 3.54Å; Y406-G440 PolarHBondContact O-N 3.5Å
441	T	91.7	Very high	90.3	Very high	80 Å²	80	63 Å²	63	49%	0.491	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	146.6	-176.9	57.1	0	0	0	0	110.1	I396 K404	I396-T441 HydrophobicContact CD1-CG2 3.45Å; I396-T441 VanDerWaalsContact CD1-CG2 3.45Å; K404-T441 CarbonylContact O-C 3.57Å; K404-T441 VanDerWaalsContact O-CA 3.29Å; K404-T441 WeakPolarHBondContact O-CA 3.41Å
442	I	92	Very high	91.2	Very high	27 Å²	27	51.2 Å²	51.2	14%	0.138	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	144.5	178.3	-168.4	166.5	0	0	0	110.9	G383 A386 L403 K404	G383-I442 WeakPolarHBondContact O-CD1 3.46Å; A386-I442 HydrophobicContact CB-CG2 4.09Å; L403-I442 CarbonylContact C-O 3.55Å; L403-I442 WeakPolarHBondContact CA-O 3.45Å; K404-I442 HydrophobicContact CB-CG2 4.2Å; K404-I442 PolarHBondContact N-O 3.09Å; K404-I442 PolarHBondContact O-N 2.87Å
443	I	92.8	Very high	91.8	Very high	107 Å²	107	48 Å²	48	55%	0.549	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	140.7	177.6	-59	169.2	0	0	0	110.5	V401 L403	V401-I443 HydrophobicContact CG1-CG1 4.42Å; V401-I443 HydrophobicContact CG1-CG2 4.45Å; L403-I443 HydrophobicContact CD2-CB 4.26Å; L403-I443 HydrophobicContact CD2-CG1 3.73Å
444	D	92.2	Very high	92.4	Very high	42 Å²	42	48.1 Å²	48.1	23%	0.225	27%	0.274	C	S	.	.			trans	-56.1	138	172.2	-171.8	21.8	0	0	0	111.3	G387 Y395 K402 G446	G387-D444 CarbonylContact O-C 3.5Å; G387-D444 WeakPolarHBondContact O-CA 3.44Å; G387-D444 VanDerWaalsContact O-OD1 3.07Å; Y395-D444 HydrophobicContact CE1-CB 3.93Å; Y395-D444 VanDerWaalsContact CE1-CG 3.49Å; Y395-D444 WeakPolarHBondContact CE1-OD1 3.26Å; Y395-D444 PolarHBondContact OH-OD1 3.43Å; K402-D444 HydrophobicContact CB-CB 4.34Å; K402-D444 HydrophobicContact CD-CB 4.43Å; K402-D444 WeakPolarHBondContact CD-OD2 3.44Å; K402-D444 HydrophobicContact CG-CB 4.21Å; K402-D444 IonicContact NZ-OD2 2.78Å; K402-D444 PolarHBondContact NZ-OD2 2.97Å; K402-D444 WeakPolarHBondContact O-CB 3.4Å; K402-D444 PolarHBondContact O-N 3.29Å; D444-G446 PolarHBondContact OD1-N 2.74Å
445	R	92.3	Very high	92.9	Very high	87 Å²	87	44.6 Å²	44.6	33%	0.328	25%	0.253	S	S	.	.			trans	-121.7	6.4	-178	-65.8	-173.4	175.7	-153.8	-3.1	113.2	L384 G387 T388 Y509	L384-R445 WeakPolarHBondContact O-CD 3.22Å; L384-R445 PolarHBondContact O-NH1 3.29Å; G387-R445 PolarHBondContact O-N 3.02Å; T388-R445 HydrophobicContact CG2-CB 4.4Å; R445-Y509 PolarHBondContact O-OH 2.86Å
446	G	92.6	Very high	93.3	Very high	22 Å²	22	44.4 Å²	44.4	23%	0.227	25%	0.249	C	C	.	.	B	Isolated β-bridge	trans	71	-154.8	-175	0	0	0	0	0	112.1	T388 T389 D444	T388-G446 CarbonylContact C-O 3.54Å; T388-G446 WeakPolarHBondContact CA-O 3.3Å; T388-G446 VanDerWaalsContact CB-O 3.3Å; T388-G446 WeakPolarHBondContact CB-O 3.36Å; T389-G446 PolarHBondContact N-O 3.42Å; T389-G446 PolarHBondContact OG1-O 3.3Å; D444-G446 PolarHBondContact OD1-N 2.74Å
447	S	94.5	Very high	93.7	Very high	25 Å²	25	45.4 Å²	45.4	18%	0.175	26%	0.261	C	S	.	.			trans	-81.8	144.1	-172.9	178.1	0	0	0	0	113	E390 H449 Q450 L451	E390-S447 WeakPolarHBondContact OE1-CB 3.48Å; E390-S447 PolarHBondContact OE1-OG 3.28Å; E390-S447 WeakPolarHBondContact OE2-CA 3.46Å; S447-H449 PolarHBondContact O-N 3.3Å; S447-H449 VanDerWaalsContact O-N 3.16Å; S447-H449 WeakPolarHBondContact OG-CB 3.45Å; S447-H449 PolarHBondContact OG-CD2 3.43Å; S447-H449 PolarHBondContact OG-N 2.9Å; S447-H449 VanDerWaalsContact OG-N 3.09Å; S447-Q450 PolarHBondContact O-N 2.91Å; S447-L451 PolarHBondContact O-N 3.44Å; S447-L451 VanDerWaalsContact O-N 3.15Å
448	V	95.3	Very high	94.1	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-51.3	-33.1	166	170.4	0	0	0	0	111.7	M73 A76 M77 T388 E390 Q450 L451 V452	M73-V448 HydrophobicContact CE-CG2 3.82Å; M73-V448 HydrophobicContact SD-CG2 3.84Å; A76-V448 HydrophobicContact CB-CB 4.28Å; A76-V448 HydrophobicContact CB-CG1 4.23Å; M77-V448 HydrophobicContact SD-CG1 3.74Å; T388-V448 HydrophobicContact CG2-CG2 3.85Å; T388-V448 WeakPolarHBondContact OG1-CG2 3.29Å; E390-V448 HydrophobicContact CB-CG2 4.41Å; E390-V448 WeakPolarHBondContact OE2-CG2 3.36Å; E390-V448 PolarHBondContact OE2-N 3.4Å; V448-Q450 PolarHBondContact O-N 2.93Å; V448-Q450 VanDerWaalsContact O-N 3.16Å; V448-L451 PolarHBondContact O-N 3.23Å; V448-V452 HydrophobicContact CG1-CB 4.41Å; V448-V452 HydrophobicContact CG1-CG2 3.58Å; V448-V452 WeakPolarHBondContact O-CB 3.42Å; V448-V452 PolarHBondContact O-N 3.46Å
449	H	92.7	Very high	94.4	Very high	72 Å²	72	43.2 Å²	43.2	33%	0.333	25%	0.252	S	S	.	.	H	α-helix	trans	-65.9	-14.1	179.2	-65	-59.4	0	0	0	114.2	H228 E390 S447 P453	H228-H449 AromaticContact CE1-CE1 3.84Å; H228-H449 AromaticContact CE1-ND1 3.92Å; E390-H449 IonicContact OE1-CD2 2.76Å; S447-H449 PolarHBondContact O-N 3.3Å; S447-H449 VanDerWaalsContact O-N 3.16Å; S447-H449 WeakPolarHBondContact OG-CB 3.45Å; S447-H449 PolarHBondContact OG-CD2 3.43Å; S447-H449 PolarHBondContact OG-N 2.9Å; S447-H449 VanDerWaalsContact OG-N 3.09Å; H449-P453 WeakPolarHBondContact O-CD 3.36Å; H449-P453 VanDerWaalsContact O-CG 3.24Å; H449-P453 WeakPolarHBondContact O-CG 3.47Å
450	Q	94.5	Very high	94.8	Very high	124 Å²	124	43 Å²	43	58%	0.579	24%	0.244	S	C	*	.	H	α-helix	trans	-103.1	-43.4	170.3	-68.5	175.5	-31.3	0	0	111.3	S447 V448 P453 Y454 Y509	S447-Q450 PolarHBondContact O-N 2.91Å; V448-Q450 PolarHBondContact O-N 2.93Å; V448-Q450 VanDerWaalsContact O-N 3.16Å; Q450-P453 WeakPolarHBondContact O-CD 3.36Å; Q450-Y454 PolarHBondContact O-N 2.97Å; Q450-Y509 HydrophobicContact CB-CD2 4.34Å; Q450-Y509 HydrophobicContact CB-CE2 4.24Å
451	L	95.8	Very high	95.1	Very high	4 Å²	4	45 Å²	45	2%	0.021	24%	0.243	C	C	.	.	H	α-helix	trans	-63.4	-44.9	-177.7	176.9	62.9	0	0	0	112.7	L384 L385 T388 S447 V448 Y454 L455 Y509	L384-L451 WeakPolarHBondContact O-CD2 3.47Å; L385-L451 HydrophobicContact CD2-CD2 4Å; T388-L451 HydrophobicContact CG2-CD2 3.68Å; S447-L451 PolarHBondContact O-N 3.44Å; S447-L451 VanDerWaalsContact O-N 3.15Å; V448-L451 PolarHBondContact O-N 3.23Å; L451-Y454 HydrophobicContact CD1-CD1 4.23Å; L451-Y454 WeakPolarHBondContact O-CB 3.44Å; L451-Y454 PolarHBondContact O-N 3.41Å; L451-L455 HydrophobicContact CD1-CD1 4.26Å; L451-L455 HydrophobicContact CD1-CG 4.22Å; L451-L455 HydrophobicContact CG-CD1 4.15Å; L451-L455 HydrophobicContact CG-CG 4.49Å; L451-L455 WeakPolarHBondContact O-CG 3.48Å; L451-L455 PolarHBondContact O-N 2.94Å; L451-Y509 HydrophobicContact CD1-CE1 3.63Å
452	V	96.5	Very high	95.4	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.012	23%	0.227	C	C	.	.	H	α-helix	trans	-65.8	-47.9	-178.3	169	0	0	0	0	111.7	V58 F60 M77 C80 V448 Y454 L455 V456	V58-V452 HydrophobicContact CG1-CG1 4.26Å; F60-V452 HydrophobicContact CD2-CG1 3.94Å; F60-V452 HydrophobicContact CD2-CG2 4.43Å; F60-V452 HydrophobicContact CE2-CG1 4.08Å; M77-V452 HydrophobicContact SD-CG2 4.03Å; C80-V452 HydrophobicContact CB-CB 4.24Å; C80-V452 HydrophobicContact CB-CG1 3.73Å; V448-V452 HydrophobicContact CG1-CB 4.41Å; V448-V452 HydrophobicContact CG1-CG2 3.58Å; V448-V452 WeakPolarHBondContact O-CB 3.42Å; V448-V452 PolarHBondContact O-N 3.46Å; V452-Y454 VanDerWaalsContact C-N 3.28Å; V452-Y454 PolarHBondContact O-N 3.36Å; V452-L455 PolarHBondContact O-N 3.07Å; V452-L455 VanDerWaalsContact O-N 3.13Å; V452-V456 HydrophobicContact CG1-CG2 4.21Å; V452-V456 WeakPolarHBondContact O-CG2 3.45Å; V452-V456 PolarHBondContact O-N 3.4Å
453	P	95.1	Very high	95.7	Very high	67 Å²	67	40.6 Å²	40.6	44%	0.435	22%	0.22	S	C	.	.	H	α-helix	trans	-55.8	-38.9	172.6	-30.9	38.7	0	0	0	114.1	H449 Q450 V456 A457	H449-P453 WeakPolarHBondContact O-CD 3.36Å; H449-P453 VanDerWaalsContact O-CG 3.24Å; H449-P453 WeakPolarHBondContact O-CG 3.47Å; Q450-P453 WeakPolarHBondContact O-CD 3.36Å; P453-V456 PolarHBondContact O-N 3.4Å; P453-A457 WeakPolarHBondContact O-CB 3.21Å; P453-A457 PolarHBondContact O-N 3.45Å
454	Y	96.4	Very high	96	Very high	64 Å²	64	37.3 Å²	37.3	25%	0.251	20%	0.203	S	C	.	.	H	α-helix	trans	-60.1	-49.7	172.9	160.3	-101.8	0	0	0	111.8	Q450 L451 V452 V456 A457 G458 L508 Y509	Q450-Y454 PolarHBondContact O-N 2.97Å; L451-Y454 HydrophobicContact CD1-CD1 4.23Å; L451-Y454 WeakPolarHBondContact O-CB 3.44Å; L451-Y454 PolarHBondContact O-N 3.41Å; V452-Y454 VanDerWaalsContact C-N 3.28Å; V452-Y454 PolarHBondContact O-N 3.36Å; Y454-V456 VanDerWaalsContact C-N 3.33Å; Y454-V456 PolarHBondContact O-N 3.15Å; Y454-A457 PolarHBondContact O-N 2.75Å; Y454-G458 PolarHBondContact O-N 3.05Å; Y454-L508 WeakPolarHBondContact CD2-O 3.45Å; Y454-L508 HydrophobicContact CE1-CB 4.36Å; Y454-L508 HydrophobicContact CE2-CB 4.22Å; Y454-L508 WeakPolarHBondContact CE2-O 3.35Å; Y454-Y509 AromaticContact CD1-CD1 3.64Å; Y454-Y509 HydrophobicContact CD1-CD1 3.64Å; Y454-Y509 HydrophobicContact CD1-CE1 4.13Å; Y454-Y509 HydrophobicContact CD1-CG 4.49Å; Y454-Y509 HydrophobicContact CD2-CD1 4.09Å; Y454-Y509 HydrophobicContact CD2-CG 4.38Å; Y454-Y509 HydrophobicContact CE1-CD1 4.12Å; Y454-Y509 AromaticContact CG-CD1 3.62Å; Y454-Y509 HydrophobicContact CG-CD1 3.62Å; Y454-Y509 HydrophobicContact CG-CE1 4.48Å; Y454-Y509 HydrophobicContact CG-CG 4.05Å
455	L	97.5	Very high	96.2	Very high	2 Å²	2	41.2 Å²	41.2	1%	0.01	22%	0.22	C	C	.	.	H	α-helix	trans	-62.3	-41.1	178.5	-68.8	175	0	0	0	111.6	F60 A365 I368 M381 L451 V452 G458 V459	F60-L455 HydrophobicContact CE2-CB 3.62Å; F60-L455 HydrophobicContact CE2-CD1 4.41Å; F60-L455 HydrophobicContact CZ-CB 3.81Å; A365-L455 HydrophobicContact CB-CD2 4.17Å; I368-L455 HydrophobicContact CD1-CD1 4.41Å; I368-L455 HydrophobicContact CD1-CD2 4.25Å; M381-L455 HydrophobicContact CE-CD1 4.37Å; M381-L455 HydrophobicContact SD-CD1 4.12Å; L451-L455 HydrophobicContact CD1-CD1 4.26Å; L451-L455 HydrophobicContact CD1-CG 4.22Å; L451-L455 HydrophobicContact CG-CD1 4.15Å; L451-L455 HydrophobicContact CG-CG 4.49Å; L451-L455 WeakPolarHBondContact O-CG 3.48Å; L451-L455 PolarHBondContact O-N 2.94Å; V452-L455 PolarHBondContact O-N 3.07Å; V452-L455 VanDerWaalsContact O-N 3.13Å; L455-G458 PolarHBondContact O-N 3.26Å; L455-V459 WeakPolarHBondContact O-CG2 3.48Å; L455-V459 PolarHBondContact O-N 3.26Å
456	V	97.5	Very high	96.4	Very high	22 Å²	22	37.5 Å²	37.5	13%	0.133	21%	0.206	C	C	.	.	H	α-helix	trans	-58.7	-47.7	174.4	165.9	0	0	0	0	110.8	I46 V58 F60 V452 P453 Y454 G458 V459 K460	I46-V456 HydrophobicContact CD1-CB 4.29Å; I46-V456 HydrophobicContact CD1-CG1 3.75Å; I46-V456 HydrophobicContact CD1-CG2 4.01Å; V58-V456 HydrophobicContact CB-CG2 4.3Å; V58-V456 HydrophobicContact CG1-CG2 3.53Å; V58-V456 HydrophobicContact CG2-CG2 3.76Å; F60-V456 HydrophobicContact CE2-CG2 3.81Å; F60-V456 HydrophobicContact CZ-CG2 4.14Å; V452-V456 HydrophobicContact CG1-CG2 4.21Å; V452-V456 WeakPolarHBondContact O-CG2 3.45Å; V452-V456 PolarHBondContact O-N 3.4Å; P453-V456 PolarHBondContact O-N 3.4Å; Y454-V456 VanDerWaalsContact C-N 3.33Å; Y454-V456 PolarHBondContact O-N 3.15Å; V456-G458 VanDerWaalsContact C-N 3.34Å; V456-G458 PolarHBondContact O-N 3.43Å; V456-V459 PolarHBondContact O-N 2.9Å; V456-K460 HydrophobicContact CG1-CD 4.32Å; V456-K460 HydrophobicContact CG1-CG 4.47Å; V456-K460 WeakPolarHBondContact O-CG 3.15Å; V456-K460 PolarHBondContact O-N 3.42Å
457	A	97.3	Very high	96.6	Very high	43 Å²	43	37 Å²	37	36%	0.355	20%	0.201	S	C	.	.	H	α-helix	trans	-59.9	-45.3	177.2	0	0	0	0	0	111.2	P453 Y454 V459 K460 H461	P453-A457 WeakPolarHBondContact O-CB 3.21Å; P453-A457 PolarHBondContact O-N 3.45Å; Y454-A457 PolarHBondContact O-N 2.75Å; A457-V459 PolarHBondContact O-N 2.78Å; A457-K460 PolarHBondContact O-N 2.93Å; A457-H461 WeakPolarHBondContact O-CB 3.25Å; A457-H461 PolarHBondContact O-CD2 3.01Å; A457-H461 PolarHBondContact O-N 3.24Å
458	G	97.2	Very high	96.8	Very high	25 Å²	25	35.8 Å²	35.8	26%	0.258	19%	0.192	S	C	.	.	H	α-helix	trans	-59.3	-43.4	176.3	0	0	0	0	0	113.2	Y454 L455 V456 H461 G462	Y454-G458 PolarHBondContact O-N 3.05Å; L455-G458 PolarHBondContact O-N 3.26Å; V456-G458 VanDerWaalsContact C-N 3.34Å; V456-G458 PolarHBondContact O-N 3.43Å; G458-H461 PolarHBondContact O-N 3.41Å; G458-G462 PolarHBondContact O-N 3.21Å
459	V	98.1	Very high	96.9	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-65.4	-45.7	176.3	173.5	0	0	0	0	111.2	I46 F60 I368 V369 L372 L455 V456 A457 H461 G462 L463	I46-V459 HydrophobicContact CG2-CG1 4.1Å; F60-V459 HydrophobicContact CE1-CG2 4.34Å; F60-V459 HydrophobicContact CZ-CG2 4.25Å; I368-V459 HydrophobicContact CB-CG2 3.96Å; I368-V459 HydrophobicContact CG2-CG2 3.6Å; V369-V459 HydrophobicContact CG2-CB 4.36Å; V369-V459 HydrophobicContact CG2-CG1 4.4Å; V369-V459 HydrophobicContact CG2-CG2 4.23Å; L372-V459 HydrophobicContact CD1-CG1 4.04Å; L455-V459 WeakPolarHBondContact O-CG2 3.48Å; L455-V459 PolarHBondContact O-N 3.26Å; V456-V459 PolarHBondContact O-N 2.9Å; A457-V459 PolarHBondContact O-N 2.78Å; V459-H461 VanDerWaalsContact C-N 3.33Å; V459-H461 PolarHBondContact O-N 2.82Å; V459-G462 PolarHBondContact O-N 3.09Å; V459-G462 VanDerWaalsContact O-N 3.15Å; V459-L463 HydrophobicContact CG1-CD1 3.91Å; V459-L463 WeakPolarHBondContact O-CD1 3.48Å; V459-L463 PolarHBondContact O-N 2.85Å
460	K	98.2	Very high	97.2	Very high	53 Å²	53	38.6 Å²	38.6	23%	0.23	20%	0.204	C	C	.	.	H	α-helix	trans	-61.2	-40.9	177.6	-72.9	-169.3	178.2	-146.2	0	112.2	V44 I46 V456 A457 L463 Q464	V44-K460 HydrophobicContact CB-CB 4.3Å; V44-K460 HydrophobicContact CB-CD 4.44Å; V44-K460 HydrophobicContact CB-CG 4.15Å; V44-K460 HydrophobicContact CG1-CB 4.39Å; V44-K460 HydrophobicContact CG1-CG 4.12Å; V44-K460 VanDerWaalsContact O-CE 3.26Å; V44-K460 WeakPolarHBondContact O-CE 3.01Å; V44-K460 PolarHBondContact O-NZ 3.07Å; I46-K460 HydrophobicContact CG2-CG 4.03Å; V456-K460 HydrophobicContact CG1-CD 4.32Å; V456-K460 HydrophobicContact CG1-CG 4.47Å; V456-K460 WeakPolarHBondContact O-CG 3.15Å; V456-K460 PolarHBondContact O-N 3.42Å; A457-K460 PolarHBondContact O-N 2.93Å; K460-L463 PolarHBondContact O-N 3.25Å; K460-Q464 VanDerWaalsContact O-CB 3.31Å; K460-Q464 WeakPolarHBondContact O-CB 3.45Å; K460-Q464 PolarHBondContact O-N 2.67Å
461	H	97.4	Very high	97.4	Very high	76 Å²	76	32.9 Å²	32.9	35%	0.352	18%	0.178	S	C	.	.	H	α-helix	trans	-61.8	-43.5	173.2	-84.6	-68.8	0	0	0	111.9	A457 G458 V459 Q464 Q465	A457-H461 WeakPolarHBondContact O-CB 3.25Å; A457-H461 PolarHBondContact O-CD2 3.01Å; A457-H461 PolarHBondContact O-N 3.24Å; G458-H461 PolarHBondContact O-N 3.41Å; V459-H461 VanDerWaalsContact C-N 3.33Å; V459-H461 PolarHBondContact O-N 2.82Å; H461-Q464 PolarHBondContact O-N 3.46Å; H461-Q465 WeakPolarHBondContact O-CG 3.34Å; H461-Q465 PolarHBondContact O-N 3.5Å
462	G	97.7	Very high	97.5	Very high	15 Å²	15	36.9 Å²	36.9	16%	0.155	20%	0.203	C	C	.	.	H	α-helix	trans	-60.6	-48.1	175.6	0	0	0	0	0	112.9	G458 V459 Q464 Q465 I466	G458-G462 PolarHBondContact O-N 3.21Å; V459-G462 PolarHBondContact O-N 3.09Å; V459-G462 VanDerWaalsContact O-N 3.15Å; G462-Q464 VanDerWaalsContact C-N 3.34Å; G462-Q464 PolarHBondContact O-N 3.45Å; G462-Q465 PolarHBondContact O-N 3.35Å; G462-I466 WeakPolarHBondContact O-CD1 3.47Å; G462-I466 VanDerWaalsContact O-CG1 3.27Å; G462-I466 WeakPolarHBondContact O-CG1 3.48Å; G462-I466 PolarHBondContact O-N 2.92Å
463	L	98.4	Very high	97.5	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-63.7	-38.8	177.3	-94.1	66.6	0	0	0	112.2	V44 I46 V369 V459 K460 I466 G467 A468 I471 L474	V44-L463 HydrophobicContact CG1-CB 3.78Å; V44-L463 HydrophobicContact CG1-CD2 3.79Å; V44-L463 HydrophobicContact CG1-CG 4.46Å; I46-L463 HydrophobicContact CG2-CD2 4.13Å; V369-L463 HydrophobicContact CG1-CD1 4.38Å; V459-L463 HydrophobicContact CG1-CD1 3.91Å; V459-L463 WeakPolarHBondContact O-CD1 3.48Å; V459-L463 PolarHBondContact O-N 2.85Å; K460-L463 PolarHBondContact O-N 3.25Å; L463-I466 PolarHBondContact O-N 3.4Å; L463-G467 PolarHBondContact O-N 3.01Å; L463-A468 CarbonylContact C-O 3.59Å; L463-A468 PolarHBondContact O-N 2.98Å; L463-I471 HydrophobicContact CD2-CG1 4.27Å; L463-L474 HydrophobicContact CD1-CD2 4.1Å; L463-L474 HydrophobicContact CG-CD2 4.32Å
464	Q	98.1	Very high	97.7	Very high	38 Å²	38	36.7 Å²	36.7	18%	0.178	20%	0.196	C	C	.	.	H	α-helix	trans	-59.6	-48.7	174.3	-173.8	-172.6	24.1	0	0	111.3	V37 F39 V44 K460 H461 G462 I466 G467	V37-Q464 HydrophobicContact CG1-CG 3.68Å; V37-Q464 WeakPolarHBondContact CG2-O 3.28Å; F39-Q464 HydrophobicContact CD2-CG 4.33Å; F39-Q464 HydrophobicContact CE2-CB 4.12Å; F39-Q464 HydrophobicContact CE2-CG 3.95Å; F39-Q464 PolarHBondContact O-NE2 2.76Å; V44-Q464 HydrophobicContact CG2-CB 4.31Å; K460-Q464 VanDerWaalsContact O-CB 3.31Å; K460-Q464 WeakPolarHBondContact O-CB 3.45Å; K460-Q464 PolarHBondContact O-N 2.67Å; H461-Q464 PolarHBondContact O-N 3.46Å; G462-Q464 VanDerWaalsContact C-N 3.34Å; G462-Q464 PolarHBondContact O-N 3.45Å; Q464-I466 VanDerWaalsContact C-N 3.27Å; Q464-I466 PolarHBondContact O-N 2.98Å; Q464-G467 WeakPolarHBondContact O-CA 3.26Å; Q464-G467 PolarHBondContact O-N 3.49Å
465	Q	97.3	Very high	97.8	Very high	125 Å²	125	34.9 Å²	34.9	58%	0.584	19%	0.19	S	C	*	.	H	α-helix	trans	-65.7	-29.7	179.2	-72	179.8	-4.5	0	0	113.2	G35 H461 G462	G35-Q465 PolarHBondContact N-O 2.99Å; H461-Q465 WeakPolarHBondContact O-CG 3.34Å; H461-Q465 PolarHBondContact O-N 3.5Å; G462-Q465 PolarHBondContact O-N 3.35Å
466	I	97.1	Very high	97.7	Very high	9 Å²	9	38.5 Å²	38.5	5%	0.046	21%	0.209	C	C	.	.	H	α-helix	trans	-70.6	-24.7	171.2	-70.2	166.1	0	0	0	111.4	I32 G35 V369 G462 L463 Q464 A468 L474 M477 L483	I32-I466 HydrophobicContact CD1-CD1 3.97Å; I32-I466 HydrophobicContact CG2-CD1 3.92Å; I32-I466 HydrophobicContact CG2-CG1 3.82Å; G35-I466 WeakPolarHBondContact CA-O 3.45Å; V369-I466 HydrophobicContact CG1-CD1 3.77Å; G462-I466 WeakPolarHBondContact O-CD1 3.47Å; G462-I466 VanDerWaalsContact O-CG1 3.27Å; G462-I466 WeakPolarHBondContact O-CG1 3.48Å; G462-I466 PolarHBondContact O-N 2.92Å; L463-I466 PolarHBondContact O-N 3.4Å; Q464-I466 VanDerWaalsContact C-N 3.27Å; Q464-I466 PolarHBondContact O-N 2.98Å; I466-A468 HydrophobicContact CG2-CB 4.21Å; I466-L474 HydrophobicContact CD1-CD1 4.03Å; I466-L474 HydrophobicContact CG2-CD1 3.85Å; I466-M477 HydrophobicContact CG2-CE 3.99Å; I466-L483 HydrophobicContact CG1-CD1 4.46Å; I466-L483 HydrophobicContact CG2-CD1 3.4Å
467	G	97.1	Very high	97.7	Very high	10 Å²	10	38.2 Å²	38.2	10%	0.103	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.2	19.7	-172.9	0	0	0	0	0	113.9	F36 L463 Q464	F36-G467 VanDerWaalsContact O-CA 3.27Å; F36-G467 WeakPolarHBondContact O-CA 3.33Å; L463-G467 PolarHBondContact O-N 3.01Å; Q464-G467 WeakPolarHBondContact O-CA 3.26Å; Q464-G467 PolarHBondContact O-N 3.49Å
468	A	97.7	Very high	97.7	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.192	C	C	.	.			trans	-100.2	122.3	175.9	0	0	0	0	0	111.3	L463 I466 S470 E473 L474 M477	L463-A468 CarbonylContact C-O 3.59Å; L463-A468 PolarHBondContact O-N 2.98Å; I466-A468 HydrophobicContact CG2-CB 4.21Å; A468-S470 VanDerWaalsContact C-N 3.35Å; A468-E473 HydrophobicContact CB-CG 4.49Å; A468-L474 HydrophobicContact CB-CB 3.99Å; A468-L474 HydrophobicContact CB-CD1 4.17Å; A468-M477 HydrophobicContact CB-SD 3.93Å
469	R	98.1	Very high	97.6	Very high	101 Å²	101	41.1 Å²	41.1	38%	0.381	20%	0.201	S	C	.	.	S	Bend	trans	-81.5	-15	176.8	-61.4	174.8	178.7	-102.8	2.3	112.8	G38 F39 E43 V44 D45 E473	G38-R469 PolarHBondContact O-NH2 3.44Å; F39-R469 VanDerWaalsContact CB-CZ 3.46Å; F39-R469 VanDerWaalsContact CB-NH1 3.33Å; F39-R469 HydrophobicContact CD1-CG 3.56Å; F39-R469 HydrophobicContact CD2-CG 4.08Å; F39-R469 HydrophobicContact CE1-CG 3.52Å; F39-R469 HydrophobicContact CE2-CG 4.06Å; F39-R469 HydrophobicContact CG-CG 3.86Å; F39-R469 HydrophobicContact CZ-CG 3.78Å; E43-R469 IonicContact OE2-CZ 2.62Å; E43-R469 IonicContact OE2-NH1 3.22Å; E43-R469 PolarHBondContact OE2-NH1 2.76Å; V44-R469 CarbonylContact C-O 3.53Å; V44-R469 WeakPolarHBondContact CA-O 3.23Å; D45-R469 PolarHBondContact N-O 2.99Å; R469-E473 WeakPolarHBondContact CA-OE2 3.47Å; R469-E473 VanDerWaalsContact CB-OE2 3.3Å; R469-E473 WeakPolarHBondContact CB-OE2 3.27Å; R469-E473 PolarHBondContact N-OE2 2.99Å
470	S	98.4	Very high	97.4	Very high	30 Å²	30	45.2 Å²	45.2	21%	0.21	23%	0.23	C	C	.	.	B	Isolated β-bridge	trans	-149.2	164.7	176.5	66.5	0	0	0	0	113.7	D45 A468 T472 E473 L474	D45-S470 WeakPolarHBondContact O-CA 3.48Å; A468-S470 VanDerWaalsContact C-N 3.35Å; S470-T472 VanDerWaalsContact C-N 3.27Å; S470-T472 PolarHBondContact O-N 3.17Å; S470-E473 PolarHBondContact O-N 3.13Å; S470-E473 WeakPolarHBondContact OG-CB 3.31Å; S470-E473 PolarHBondContact OG-N 3.26Å; S470-E473 VanDerWaalsContact OG-N 3.09Å; S470-L474 WeakPolarHBondContact O-CB 3.48Å; S470-L474 PolarHBondContact O-N 3.48Å
471	I	98.2	Very high	97.2	Very high	4 Å²	4	43.5 Å²	43.5	2%	0.021	23%	0.227	C	C	.	.	H	α-helix	trans	-62.2	-36.7	171.4	-67.8	173.7	0	0	0	111.1	D45 I46 P59 L372 L463 E473 L474 H475	D45-I471 PolarHBondContact O-N 3.25Å; I46-I471 HydrophobicContact CB-CD1 4.12Å; I46-I471 VanDerWaalsContact O-CD1 3.22Å; I46-I471 WeakPolarHBondContact O-CD1 3.42Å; P59-I471 HydrophobicContact CB-CD1 3.97Å; P59-I471 HydrophobicContact CG-CD1 3.99Å; L372-I471 HydrophobicContact CD1-CD1 4.02Å; L372-I471 HydrophobicContact CD1-CG1 4.39Å; L372-I471 HydrophobicContact CD2-CD1 4.3Å; L463-I471 HydrophobicContact CD2-CG1 4.27Å; I471-E473 PolarHBondContact O-N 2.9Å; I471-L474 WeakPolarHBondContact O-CB 3.27Å; I471-L474 PolarHBondContact O-N 2.94Å; I471-H475 PolarHBondContact O-N 2.9Å
472	T	97.6	Very high	97.1	Very high	89 Å²	89	46.8 Å²	46.8	55%	0.546	24%	0.241	S	C	.	.	H	α-helix	trans	-60.5	-45.8	174.9	-57.2	0	0	0	0	111.5	S470 H475 N476	S470-T472 VanDerWaalsContact C-N 3.27Å; S470-T472 PolarHBondContact O-N 3.17Å; T472-H475 PolarHBondContact O-N 3.31Å; T472-N476 VanDerWaalsContact O-CG 3.25Å; T472-N476 PolarHBondContact O-N 3.31Å; T472-N476 PolarHBondContact O-ND2 3.37Å
473	E	97.8	Very high	97	Very high	65 Å²	65	46.2 Å²	46.2	30%	0.304	23%	0.234	S	C	.	.	H	α-helix	trans	-63.3	-44.4	175.4	-174.3	175.2	-170	0	0	111.2	A468 R469 S470 I471 H475 N476 M477	A468-E473 HydrophobicContact CB-CG 4.49Å; R469-E473 WeakPolarHBondContact CA-OE2 3.47Å; R469-E473 VanDerWaalsContact CB-OE2 3.3Å; R469-E473 WeakPolarHBondContact CB-OE2 3.27Å; R469-E473 PolarHBondContact N-OE2 2.99Å; S470-E473 PolarHBondContact O-N 3.13Å; S470-E473 WeakPolarHBondContact OG-CB 3.31Å; S470-E473 PolarHBondContact OG-N 3.26Å; S470-E473 VanDerWaalsContact OG-N 3.09Å; I471-E473 PolarHBondContact O-N 2.9Å; E473-H475 VanDerWaalsContact C-N 3.33Å; E473-H475 PolarHBondContact O-N 2.71Å; E473-N476 PolarHBondContact O-N 3.3Å; E473-N476 VanDerWaalsContact O-N 3.12Å; E473-M477 HydrophobicContact CG-CG 4.38Å; E473-M477 HydrophobicContact CG-SD 4.11Å; E473-M477 VanDerWaalsContact O-CG 3.29Å; E473-M477 WeakPolarHBondContact O-CG 3.4Å; E473-M477 PolarHBondContact O-N 3.45Å
474	L	98.3	Very high	96.9	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-55.8	-46.4	176	-178.1	68.5	0	0	0	111.9	L372 L463 I466 A468 S470 I471 M477 S478 L483	L372-L474 HydrophobicContact CB-CD2 3.93Å; L463-L474 HydrophobicContact CD1-CD2 4.1Å; L463-L474 HydrophobicContact CG-CD2 4.32Å; I466-L474 HydrophobicContact CD1-CD1 4.03Å; I466-L474 HydrophobicContact CG2-CD1 3.85Å; A468-L474 HydrophobicContact CB-CB 3.99Å; A468-L474 HydrophobicContact CB-CD1 4.17Å; S470-L474 WeakPolarHBondContact O-CB 3.48Å; S470-L474 PolarHBondContact O-N 3.48Å; I471-L474 WeakPolarHBondContact O-CB 3.27Å; I471-L474 PolarHBondContact O-N 2.94Å; L474-M477 PolarHBondContact O-N 3.15Å; L474-S478 WeakPolarHBondContact O-CB 3.44Å; L474-S478 PolarHBondContact O-N 2.9Å; L474-L483 HydrophobicContact CD1-CD2 3.86Å
475	H	98.1	Very high	96.9	Very high	26 Å²	26	46 Å²	46	12%	0.12	23%	0.231	C	C	.	.	H	α-helix	trans	-65.1	-39.1	177.3	-69.1	177.4	0	0	0	112.2	L372 A376 I471 T472 E473 S478 R479	L372-H475 PolarHBondContact O-CD2 2.8Å; L372-H475 PolarHBondContact O-NE2 3.03Å; L372-H475 VanDerWaalsContact O-NE2 3.08Å; A376-H475 PolarHBondContact O-CE1 3.4Å; A376-H475 VanDerWaalsContact O-CE1 3.29Å; A376-H475 PolarHBondContact O-NE2 3.39Å; I471-H475 PolarHBondContact O-N 2.9Å; T472-H475 PolarHBondContact O-N 3.31Å; E473-H475 VanDerWaalsContact C-N 3.33Å; E473-H475 PolarHBondContact O-N 2.71Å; H475-S478 PolarHBondContact O-N 2.77Å; H475-R479 WeakPolarHBondContact O-CB 3.49Å; H475-R479 WeakPolarHBondContact O-CG 3.43Å; H475-R479 PolarHBondContact O-N 2.92Å; H475-R479 PolarHBondContact O-NE 3.01Å
476	N	97.3	Very high	96.8	Very high	77 Å²	77	45.2 Å²	45.2	41%	0.412	23%	0.228	S	C	.	.	H	α-helix	trans	-66	-41.9	176.6	-70.4	-16.3	0	0	0	111.3	T472 E473 S478 R479 S480	T472-N476 VanDerWaalsContact O-CG 3.25Å; T472-N476 PolarHBondContact O-N 3.31Å; T472-N476 PolarHBondContact O-ND2 3.37Å; E473-N476 PolarHBondContact O-N 3.3Å; E473-N476 VanDerWaalsContact O-N 3.12Å; N476-S478 VanDerWaalsContact C-N 3.35Å; N476-R479 PolarHBondContact O-N 3.14Å; N476-R479 PolarHBondContact OD1-NH1 3.25Å; N476-R479 PolarHBondContact OD1-NH2 3.44Å; N476-S480 WeakPolarHBondContact O-CB 3.1Å; N476-S480 PolarHBondContact O-N 3Å; N476-S480 PolarHBondContact O-OG 3.46Å; N476-S480 VanDerWaalsContact O-OG 3.12Å
477	M	96.8	Very high	96.7	Very high	17 Å²	17	47.3 Å²	47.3	8%	0.084	24%	0.239	C	C	.	.	H	α-helix	trans	-62.4	-41	174.7	-67.4	172	66.6	0	0	112	I466 A468 E473 L474 S480 G481 K482 L483	I466-M477 HydrophobicContact CG2-CE 3.99Å; A468-M477 HydrophobicContact CB-SD 3.93Å; E473-M477 HydrophobicContact CG-CG 4.38Å; E473-M477 HydrophobicContact CG-SD 4.11Å; E473-M477 VanDerWaalsContact O-CG 3.29Å; E473-M477 WeakPolarHBondContact O-CG 3.4Å; E473-M477 PolarHBondContact O-N 3.45Å; L474-M477 PolarHBondContact O-N 3.15Å; M477-S480 PolarHBondContact O-OG 2.9Å; M477-G481 PolarHBondContact O-N 3.47Å; M477-K482 HydrophobicContact CB-CB 4.48Å; M477-K482 HydrophobicContact CG-CD 4.41Å; M477-K482 PolarHBondContact O-N 2.94Å; M477-K482 VanDerWaalsContact O-N 3.07Å; M477-L483 HydrophobicContact CB-CB 4Å; M477-L483 HydrophobicContact CE-CD1 4.48Å; M477-L483 PolarHBondContact O-N 3.03Å
478	S	96.6	Very high	96.7	Very high	7 Å²	7	49.1 Å²	49.1	5%	0.049	24%	0.243	C	C	.	.	H	α-helix	trans	-63.6	-45.1	175.9	-171.5	0	0	0	0	112	S373 L474 H475 N476 G481	S373-S478 VanDerWaalsContact O-CB 3.25Å; S373-S478 WeakPolarHBondContact O-CB 3.31Å; S373-S478 PolarHBondContact O-OG 3.45Å; L474-S478 WeakPolarHBondContact O-CB 3.44Å; L474-S478 PolarHBondContact O-N 2.9Å; H475-S478 PolarHBondContact O-N 2.77Å; N476-S478 VanDerWaalsContact C-N 3.35Å; S478-G481 PolarHBondContact O-N 2.86Å
479	R	95.4	Very high	96.6	Very high	121 Å²	121	52.6 Å²	52.6	46%	0.457	27%	0.267	S	S	.	.	H	α-helix	trans	-71	-36.8	179.6	-76.8	-176.8	-92.1	126.9	6.2	113.4	H350 H475 N476 G481	H350-R479 PolarHBondContact CE1-NH1 3.49Å; H350-R479 PolarHBondContact NE2-NH1 2.68Å; H475-R479 WeakPolarHBondContact O-CB 3.49Å; H475-R479 WeakPolarHBondContact O-CG 3.43Å; H475-R479 PolarHBondContact O-N 2.92Å; H475-R479 PolarHBondContact O-NE 3.01Å; N476-R479 PolarHBondContact O-N 3.14Å; N476-R479 PolarHBondContact OD1-NH1 3.25Å; N476-R479 PolarHBondContact OD1-NH2 3.44Å; R479-G481 PolarHBondContact O-N 3.24Å
480	S	94.7	Very high	96.4	Very high	87 Å²	87	52.3 Å²	52.3	61%	0.608	28%	0.28	S	S	*	.	H	α-helix	trans	-75.5	-10.8	177	68.9	0	0	0	0	113.5	N476 M477 K482	N476-S480 WeakPolarHBondContact O-CB 3.1Å; N476-S480 PolarHBondContact O-N 3Å; N476-S480 PolarHBondContact O-OG 3.46Å; N476-S480 VanDerWaalsContact O-OG 3.12Å; M477-S480 PolarHBondContact O-OG 2.9Å; S480-K482 PolarHBondContact O-N 2.89Å; S480-K482 WeakPolarHBondContact OG-CB 3.41Å; S480-K482 PolarHBondContact OG-N 2.81Å
481	G	94.3	Very high	96.4	Very high	16 Å²	16	55 Å²	55	17%	0.165	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.9	3.2	-175.2	0	0	0	0	0	114.3	M477 S478 R479 L483 R484	M477-G481 PolarHBondContact O-N 3.47Å; S478-G481 PolarHBondContact O-N 2.86Å; R479-G481 PolarHBondContact O-N 3.24Å; G481-L483 VanDerWaalsContact C-N 3.33Å; G481-R484 VanDerWaalsContact O-CD 3.23Å; G481-R484 WeakPolarHBondContact O-CD 3.07Å; G481-R484 PolarHBondContact O-NH1 3.02Å
482	K	94.2	Very high	96.4	Very high	145 Å²	145	56.3 Å²	56.3	63%	0.63	31%	0.31	S	S	*	.			trans	-65.9	-36	173.7	-177.1	177.6	-179.7	-176.8	0	111.7	M477 S480 R484	M477-K482 HydrophobicContact CB-CB 4.48Å; M477-K482 HydrophobicContact CG-CD 4.41Å; M477-K482 PolarHBondContact O-N 2.94Å; M477-K482 VanDerWaalsContact O-N 3.07Å; S480-K482 PolarHBondContact O-N 2.89Å; S480-K482 WeakPolarHBondContact OG-CB 3.41Å; S480-K482 PolarHBondContact OG-N 2.81Å; K482-R484 PolarHBondContact O-N 2.71Å
483	L	95.5	Very high	96.3	Very high	3 Å²	3	54.5 Å²	54.5	2%	0.016	30%	0.296	C	S	.	.	S	Bend	trans	-74.1	120.6	172.1	-171.6	60.6	0	0	0	109.3	I32 I466 L474 M477 G481 F485	I32-L483 HydrophobicContact CG2-CD1 3.61Å; I32-L483 HydrophobicContact CG2-CG 4.18Å; I466-L483 HydrophobicContact CG1-CD1 4.46Å; I466-L483 HydrophobicContact CG2-CD1 3.4Å; L474-L483 HydrophobicContact CD1-CD2 3.86Å; M477-L483 HydrophobicContact CB-CB 4Å; M477-L483 HydrophobicContact CE-CD1 4.48Å; M477-L483 PolarHBondContact O-N 3.03Å; G481-L483 VanDerWaalsContact C-N 3.33Å; L483-F485 HydrophobicContact CB-CE2 4.23Å; L483-F485 HydrophobicContact CB-CZ 4.48Å; L483-F485 HydrophobicContact CD2-CE1 4.21Å; L483-F485 HydrophobicContact CD2-CE2 4.09Å; L483-F485 HydrophobicContact CD2-CZ 3.5Å; L483-F485 HydrophobicContact CG-CE1 4.43Å; L483-F485 HydrophobicContact CG-CE2 3.86Å; L483-F485 HydrophobicContact CG-CZ 3.73Å; L483-F485 WeakPolarHBondContact O-CE2 3.36Å
484	R	96.5	Very high	96.2	Very high	33 Å²	33	57.6 Å²	57.6	13%	0.125	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	148	-176.8	-47.5	-57.3	-66.9	172.4	-1.4	110.7	L10 D11 G12 E17 L33 G481 K482	L10-R484 PolarHBondContact O-NE 2.98Å; L10-R484 PolarHBondContact O-NH2 2.99Å; D11-R484 WeakPolarHBondContact O-CB 3.38Å; D11-R484 VanDerWaalsContact O-CG 3.23Å; D11-R484 WeakPolarHBondContact O-CG 3.31Å; D11-R484 PolarHBondContact O-NE 2.77Å; G12-R484 PolarHBondContact O-NH2 3.49Å; E17-R484 IonicContact OE2-NH1 3.89Å; E17-R484 IonicContact OE2-NH2 3.51Å; L33-R484 HydrophobicContact CB-CB 4.17Å; L33-R484 HydrophobicContact CD1-CB 3.88Å; L33-R484 HydrophobicContact CG-CB 4.27Å; L33-R484 PolarHBondContact N-O 2.88Å; G481-R484 VanDerWaalsContact O-CD 3.23Å; G481-R484 WeakPolarHBondContact O-CD 3.07Å; G481-R484 PolarHBondContact O-NH1 3.02Å; K482-R484 PolarHBondContact O-N 2.71Å
485	F	97	Very high	96.1	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	165.1	-176.3	-57.3	-95.4	0	0	0	110.1	V13 A15 L18 V30 I31 I32 F374 L483	V13-F485 HydrophobicContact CG2-CB 4.39Å; V13-F485 VanDerWaalsContact CG2-O 3.3Å; V13-F485 WeakPolarHBondContact CG2-O 3.28Å; V13-F485 PolarHBondContact N-O 2.9Å; V13-F485 WeakPolarHBondContact O-CD2 3.23Å; V13-F485 PolarHBondContact O-N 2.71Å; A15-F485 HydrophobicContact CB-CD2 4.38Å; A15-F485 HydrophobicContact CB-CE2 3.77Å; A15-F485 HydrophobicContact CB-CZ 4.33Å; L18-F485 HydrophobicContact CD2-CB 4.14Å; L18-F485 HydrophobicContact CD2-CG 4.35Å; V30-F485 HydrophobicContact CG1-CB 3.91Å; V30-F485 HydrophobicContact CG1-CD1 3.82Å; V30-F485 HydrophobicContact CG1-CG 4.26Å; I31-F485 VanDerWaalsContact O-CA 3.28Å; I31-F485 WeakPolarHBondContact O-CA 3.3Å; I32-F485 HydrophobicContact CB-CD1 4.4Å; I32-F485 HydrophobicContact CD1-CE1 4.49Å; I32-F485 HydrophobicContact CG1-CD1 3.82Å; I32-F485 HydrophobicContact CG1-CE1 3.72Å; I32-F485 HydrophobicContact CG2-CE1 4.46Å; F374-F485 HydrophobicContact CD1-CE1 4.01Å; F374-F485 HydrophobicContact CD1-CZ 4.15Å; F374-F485 AromaticContact CE1-CD1 3.81Å; F374-F485 HydrophobicContact CE1-CD1 3.81Å; F374-F485 AromaticContact CE1-CE1 3.34Å; F374-F485 HydrophobicContact CE1-CE1 3.34Å; F374-F485 AromaticContact CE1-CZ 3.86Å; F374-F485 HydrophobicContact CE1-CZ 3.86Å; F374-F485 HydrophobicContact CZ-CD1 4.32Å; F374-F485 HydrophobicContact CZ-CE1 4.11Å; L483-F485 HydrophobicContact CB-CE2 4.23Å; L483-F485 HydrophobicContact CB-CZ 4.48Å; L483-F485 HydrophobicContact CD2-CE1 4.21Å; L483-F485 HydrophobicContact CD2-CE2 4.09Å; L483-F485 HydrophobicContact CD2-CZ 3.5Å; L483-F485 HydrophobicContact CG-CE1 4.43Å; L483-F485 HydrophobicContact CG-CE2 3.86Å; L483-F485 HydrophobicContact CG-CZ 3.73Å; L483-F485 WeakPolarHBondContact O-CE2 3.36Å
486	E	96	Very high	95.9	Very high	110 Å²	110	65.9 Å²	65.9	51%	0.514	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	144.2	171.6	-177.6	169.7	-151.9	0	0	110.9	V30 I31 L33	V30-E486 WeakPolarHBondContact CA-O 3.33Å; I31-E486 HydrophobicContact CG2-CB 3.78Å; I31-E486 PolarHBondContact N-O 2.98Å; I31-E486 PolarHBondContact O-N 3.38Å; L33-E486 HydrophobicContact CD2-CB 4.12Å
487	L	95.7	Very high	95.7	Very high	52 Å²	52	64.3 Å²	64.3	27%	0.272	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	136	174	-76.3	177	0	0	0	110.2	L18 L25 D29 V30	L18-L487 HydrophobicContact CD1-CD1 4.37Å; L18-L487 HydrophobicContact CD1-CD2 3.49Å; L18-L487 VanDerWaalsContact CD1-CD2 3.49Å; L18-L487 HydrophobicContact CD1-CG 3.65Å; L25-L487 HydrophobicContact CD1-CD2 3.69Å; L25-L487 HydrophobicContact CD2-CD2 3.53Å; L25-L487 HydrophobicContact CG-CD2 4.25Å; D29-L487 CarbonylContact O-C 3.56Å; D29-L487 WeakPolarHBondContact O-CA 3.31Å; V30-L487 HydrophobicContact CG2-CD2 4.36Å
488	R	95.9	Very high	95.6	Very high	49 Å²	49	67.4 Å²	67.4	19%	0.185	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-103.9	117	177.5	-56.5	178.4	78.4	-162.7	3.5	109.9	S28 D29 I31 A492 Q493 G496	S28-R488 WeakPolarHBondContact O-CD 3.4Å; D29-R488 PolarHBondContact O-N 3.12Å; I31-R488 HydrophobicContact CB-CG 4.07Å; I31-R488 HydrophobicContact CG2-CG 4.23Å; R488-A492 HydrophobicContact CB-CB 4.14Å; R488-A492 PolarHBondContact NH2-O 3.2Å; R488-Q493 HydrophobicContact CB-CG 3.72Å; R488-Q493 PolarHBondContact NH2-O 3.37Å; R488-Q493 PolarHBondContact O-NE2 3.09Å; R488-Q493 VanDerWaalsContact O-NE2 3.16Å; R488-G496 VanDerWaalsContact NH2-CA 3.27Å
489	S	95.9	Very high	95.4	Very high	73 Å²	73	71.9 Å²	71.9	51%	0.51	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-59.2	161.7	164.2	69.8	0	0	0	0	110.5	S491 A492 Q493	S489-S491 PolarHBondContact O-N 3.35Å; S489-A492 PolarHBondContact O-N 3.06Å; S489-A492 PolarHBondContact OG-N 3.05Å; S489-A492 VanDerWaalsContact OG-N 3.14Å; S489-Q493 WeakPolarHBondContact O-CG 3.39Å; S489-Q493 PolarHBondContact O-N 3.43Å
490	S	95.3	Very high	95.4	Very high	94 Å²	94	71.7 Å²	71.7	66%	0.657	43%	0.427	S	S	*	.	H	α-helix	trans	-55.2	-36.3	175.2	-53.2	0	0	0	0	112.3	Q493 L494	S490-Q493 WeakPolarHBondContact O-CB 3.46Å; S490-Q493 PolarHBondContact O-N 3.41Å; S490-L494 WeakPolarHBondContact O-CG 3.44Å; S490-L494 PolarHBondContact O-N 3.16Å
491	S	97.3	Very high	95.3	Very high	87 Å²	87	73 Å²	73	61%	0.608	43%	0.427	S	S	*	.	H	α-helix	trans	-65.8	-44.1	174.7	-51.7	0	0	0	0	112.4	S489 Q493 L494 E495	S489-S491 PolarHBondContact O-N 3.35Å; S491-Q493 PolarHBondContact O-N 3.37Å; S491-L494 PolarHBondContact O-N 3.2Å; S491-E495 PolarHBondContact O-N 3.12Å
492	A	97.4	Very high	95.2	Very high	31 Å²	31	83.7 Å²	83.7	26%	0.256	46%	0.464	S	S	.	.	H	α-helix	trans	-64.9	-29.5	175.1	0	0	0	0	0	112	R488 S489 G496	R488-A492 HydrophobicContact CB-CB 4.14Å; R488-A492 PolarHBondContact NH2-O 3.2Å; S489-A492 PolarHBondContact O-N 3.06Å; S489-A492 PolarHBondContact OG-N 3.05Å; S489-A492 VanDerWaalsContact OG-N 3.14Å; A492-G496 PolarHBondContact O-N 2.9Å; A492-G496 VanDerWaalsContact O-N 3.12Å
493	Q	96.4	Very high	95.1	Very high	51 Å²	51	81 Å²	81	24%	0.238	46%	0.463	C	S	.	.	H	α-helix	trans	-66.8	-45.8	173	-67.4	-177.5	39.7	0	0	112.1	D29 R488 S489 S490 S491 G496 G497	D29-Q493 PolarHBondContact OD1-NE2 2.99Å; R488-Q493 HydrophobicContact CB-CG 3.72Å; R488-Q493 PolarHBondContact NH2-O 3.37Å; R488-Q493 PolarHBondContact O-NE2 3.09Å; R488-Q493 VanDerWaalsContact O-NE2 3.16Å; S489-Q493 WeakPolarHBondContact O-CG 3.39Å; S489-Q493 PolarHBondContact O-N 3.43Å; S490-Q493 WeakPolarHBondContact O-CB 3.46Å; S490-Q493 PolarHBondContact O-N 3.41Å; S491-Q493 PolarHBondContact O-N 3.37Å; Q493-G496 PolarHBondContact O-N 3.35Å; Q493-G497 PolarHBondContact O-N 3.29Å
494	L	95.6	Very high	94.9	Very high	131 Å²	131	87.4 Å²	87.4	69%	0.686	49%	0.488	S	S	*	.	H	α-helix	trans	-60.4	-44.3	174.3	-69.4	170.7	0	0	0	111.7	S490 S491 G496 G497	S490-L494 WeakPolarHBondContact O-CG 3.44Å; S490-L494 PolarHBondContact O-N 3.16Å; S491-L494 PolarHBondContact O-N 3.2Å; L494-G496 PolarHBondContact O-N 2.73Å; L494-G497 PolarHBondContact O-N 3.05Å; L494-G497 VanDerWaalsContact O-N 3.09Å
495	E	96.3	Very high	94.5	Very high	141 Å²	141	91.8 Å²	91.8	66%	0.659	51%	0.514	S	S	*	.	H	α-helix	trans	-60.8	-42.9	177.6	-175.6	-174.5	83.1	0	0	112.5	S491 G497 H499	S491-E495 PolarHBondContact O-N 3.12Å; E495-G497 PolarHBondContact O-N 2.96Å; E495-H499 PolarHBondContact O-CD2 3.23Å; E495-H499 PolarHBondContact O-NE2 3.14Å
496	G	94.2	Very high	93.9	Very high	59 Å²	59	98.4 Å²	98.4	61%	0.608	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	1.8	177.3	0	0	0	0	0	114.6	R488 A492 Q493 L494	R488-G496 VanDerWaalsContact NH2-CA 3.27Å; A492-G496 PolarHBondContact O-N 2.9Å; A492-G496 VanDerWaalsContact O-N 3.12Å; Q493-G496 PolarHBondContact O-N 3.35Å; L494-G496 PolarHBondContact O-N 2.73Å
497	G	93.3	Very high	93.2	Very high	44 Å²	44	99.4 Å²	99.4	45%	0.454	55%	0.552	S	S	.	*	S	Bend	trans	-90.2	-175	168.2	0	0	0	0	0	112.1	Q493 L494 E495 H499	Q493-G497 PolarHBondContact O-N 3.29Å; L494-G497 PolarHBondContact O-N 3.05Å; L494-G497 VanDerWaalsContact O-N 3.09Å; E495-G497 PolarHBondContact O-N 2.96Å; G497-H499 PolarHBondContact O-CD2 3.46Å
498	V	93.1	Very high	92.5	Very high	82 Å²	82	101.2 Å²	101.2	50%	0.497	56%	0.561	S	S	.	*	S	Bend	trans	-80.7	123.7	166.4	179.2	0	0	0	0	107.5	L501 Y504	V498-L501 HydrophobicContact CG1-CD1 3.78Å; V498-Y504 HydrophobicContact CB-CD2 4.47Å; V498-Y504 HydrophobicContact CB-CE2 4.37Å; V498-Y504 HydrophobicContact CG1-CD1 3.87Å; V498-Y504 HydrophobicContact CG1-CD2 4.08Å; V498-Y504 HydrophobicContact CG1-CE1 4.22Å; V498-Y504 HydrophobicContact CG1-CE2 4.4Å; V498-Y504 HydrophobicContact CG1-CG 3.81Å; V498-Y504 HydrophobicContact CG2-CD2 4.44Å; V498-Y504 HydrophobicContact CG2-CE2 4.39Å
499	H	93.9	Very high	92	Very high	101 Å²	101	105.5 Å²	105.5	47%	0.468	58%	0.578	S	S	.	*			trans	-142.5	166	-178.3	66.2	83	0	0	0	111.9	E495 G497 L501	E495-H499 PolarHBondContact O-CD2 3.23Å; E495-H499 PolarHBondContact O-NE2 3.14Å; G497-H499 PolarHBondContact O-CD2 3.46Å; H499-L501 PolarHBondContact O-N 3.15Å
500	S	94.3	Very high	91.8	Very high	116 Å²	116	107.1 Å²	107.1	81%	0.811	58%	0.582	S	S	*	*	S	Bend	trans	62.6	33.8	174.5	-49.7	0	0	0	0	116.4
501	L	92.7	Very high	91.6	Very high	116 Å²	116	107.8 Å²	107.8	61%	0.607	58%	0.578	S	S	*	*			trans	-126.4	150.2	177.7	-61.2	172.9	0	0	0	111.3	V498 H499	V498-L501 HydrophobicContact CG1-CD1 3.78Å; H499-L501 PolarHBondContact O-N 3.15Å
502	Y	92.1	Very high	91.3	Very high	240 Å²	240	108.9 Å²	108.9	94%	0.941	58%	0.576	S	S	*	*	S	Bend	trans	-67.5	-41.7	173.6	175.6	-103	0	0	0	112.3
503	S	93.5	Very high	90.9	Very high	88 Å²	88	113.5 Å²	113.5	62%	0.615	60%	0.595	S	S	*	*			trans	-155.6	158.3	174.9	66.8	0	0	0	0	109.6
504	Y	91	Very high	90.6	Very high	137 Å²	137	117.4 Å²	117.4	54%	0.537	62%	0.617	S	S	.	*			trans	-148.8	153.5	174	69.4	-82.6	0	0	0	110.1	V498 K506	V498-Y504 HydrophobicContact CB-CD2 4.47Å; V498-Y504 HydrophobicContact CB-CE2 4.37Å; V498-Y504 HydrophobicContact CG1-CD1 3.87Å; V498-Y504 HydrophobicContact CG1-CD2 4.08Å; V498-Y504 HydrophobicContact CG1-CE1 4.22Å; V498-Y504 HydrophobicContact CG1-CE2 4.4Å; V498-Y504 HydrophobicContact CG1-CG 3.81Å; V498-Y504 HydrophobicContact CG2-CD2 4.44Å; V498-Y504 HydrophobicContact CG2-CE2 4.39Å; Y504-K506 HydrophobicContact CD2-CB 4.29Å; Y504-K506 HydrophobicContact CE2-CB 3.98Å; Y504-K506 HydrophobicContact CE2-CD 4.38Å
505	N	88	Confident	90.3	Very high	126 Å²	126	116.5 Å²	116.5	67%	0.674	61%	0.612	S	S	*	*			trans	-107.9	129	170.8	-168.7	-10.6	0	0	0	109.3	N507	N505-N507 PolarHBondContact ND2-ND2 3.48Å; N505-N507 PolarHBondContact OD1-OD1 3.24Å; N505-N507 VanDerWaalsContact OD1-OD1 3.06Å
506	K	83.7	Confident	89.8	Confident	139 Å²	139	114.8 Å²	114.8	60%	0.604	61%	0.609	S	S	*	*			trans	-103.8	74.2	-178.6	-164.5	172.6	-178.1	171.3	0	110.5	Y504 L508	Y504-K506 HydrophobicContact CD2-CB 4.29Å; Y504-K506 HydrophobicContact CE2-CB 3.98Å; Y504-K506 HydrophobicContact CE2-CD 4.38Å; K506-L508 HydrophobicContact CD-CD2 4.46Å; K506-L508 HydrophobicContact CG-CD2 3.89Å; K506-L508 HydrophobicContact CG-CG 4.23Å; K506-L508 PolarHBondContact O-N 3.43Å
507	N	82.3	Confident	89.5	Confident	131 Å²	131	119.1 Å²	119.1	70%	0.701	61%	0.609	S	S	*	*			trans	-83.1	107.6	172.4	-63.9	-33.2	0	0	0	109	N505	N505-N507 PolarHBondContact ND2-ND2 3.48Å; N505-N507 PolarHBondContact OD1-OD1 3.24Å; N505-N507 VanDerWaalsContact OD1-OD1 3.06Å
508	L	81	Confident	89.2	Confident	89 Å²	89	125.3 Å²	125.3	47%	0.466	62%	0.622	S	S	.	*			trans	-88.6	-32.3	-174.9	-66.5	-179.4	0	0	0	113.2	Y454 K506	Y454-L508 WeakPolarHBondContact CD2-O 3.45Å; Y454-L508 HydrophobicContact CE1-CB 4.36Å; Y454-L508 HydrophobicContact CE2-CB 4.22Å; Y454-L508 WeakPolarHBondContact CE2-O 3.35Å; K506-L508 HydrophobicContact CD-CD2 4.46Å; K506-L508 HydrophobicContact CG-CD2 3.89Å; K506-L508 HydrophobicContact CG-CG 4.23Å; K506-L508 PolarHBondContact O-N 3.43Å
509	Y	84.6	Confident	88.8	Confident	139 Å²	139	129.3 Å²	129.3	55%	0.545	63%	0.634	S	S	.	*			trans	-158.5	0	179.5	56.1	-90.7	0	0	0	111.4	R445 Q450 L451 Y454	R445-Y509 PolarHBondContact O-OH 2.86Å; Q450-Y509 HydrophobicContact CB-CD2 4.34Å; Q450-Y509 HydrophobicContact CB-CE2 4.24Å; L451-Y509 HydrophobicContact CD1-CE1 3.63Å; Y454-Y509 AromaticContact CD1-CD1 3.64Å; Y454-Y509 HydrophobicContact CD1-CD1 3.64Å; Y454-Y509 HydrophobicContact CD1-CE1 4.13Å; Y454-Y509 HydrophobicContact CD1-CG 4.49Å; Y454-Y509 HydrophobicContact CD2-CD1 4.09Å; Y454-Y509 HydrophobicContact CD2-CG 4.38Å; Y454-Y509 HydrophobicContact CE1-CD1 4.12Å; Y454-Y509 AromaticContact CG-CD1 3.62Å; Y454-Y509 HydrophobicContact CG-CD1 3.62Å; Y454-Y509 HydrophobicContact CG-CE1 4.48Å; Y454-Y509 HydrophobicContact CG-CG 4.05Å

Retrieved 509 of 509 residues in 878.9 ms (Link to these results)

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