G4VI16_SCHMA Loading...

Succinate--CoA ligase [ADP/GDP-forming] subunit alpha, mitochondrial

Succinyl-CoA synthetase functions in the citric acid cycle (TCA), coupling the hydrolysis of succinyl-CoA to the synthesis of either ATP or GTP and thus represents the only step of substrate-level phosphorylation in the TCA. The alpha subunit of the enzyme binds the substrates coenzyme A and phosphate, while succinate binding and specificity for either ATP or GTP is provided by different beta subunits.

AlphaFold DB , UniProt , Accession G4VI16, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 347 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.7	Very low	40.4	Very low	243 Å²	243	180.5 Å²	180.5	100%	1.197	84%	0.843	S	S	*	*				0	126.8	0	-102.2	-176.4	-104.9	0	0	107.8
2	L	36.4	Very low	40.9	Very low	176 Å²	176	167.6 Å²	167.6	92%	0.921	79%	0.794	S	S	*	*			trans	83.2	89.5	175.4	-67	157.4	0	0	0	119.1
3	N	36.1	Very low	41.7	Very low	151 Å²	151	165 Å²	165	81%	0.807	79%	0.788	S	S	*	*			trans	-33	136.5	141.6	-76.5	-14.9	0	0	0	112.8
4	S	36.7	Very low	42.5	Very low	97 Å²	97	158.4 Å²	158.4	68%	0.678	77%	0.768	S	S	*	*				117.8	123.9	64	65.9	0	0	0	0	108.6
5	F	40.9	Very low	43.1	Very low	187 Å²	187	155.9 Å²	155.9	82%	0.82	76%	0.759	S	S	*	*			trans	-152.1	102.7	152.5	-109.4	-80.7	0	0	0	108.3	Y7	F5-Y7 HydrophobicContact CD1-CD2 4.11Å; F5-Y7 HydrophobicContact CD1-CE2 4.2Å; F5-Y7 HydrophobicContact CE1-CE2 4.16Å
6	Q	39.1	Very low	43.8	Very low	179 Å²	179	154.9 Å²	154.9	84%	0.836	75%	0.753	S	S	*	*			trans	-86.7	119.8	162.5	-87.5	-178.5	-35	0	0	107.8
7	Y	38.8	Very low	44.5	Very low	216 Å²	216	155 Å²	155	85%	0.847	75%	0.748	S	S	*	*			trans	-109.8	126.5	160	-111.1	-88.6	0	0	0	109.3	F5	F5-Y7 HydrophobicContact CD1-CD2 4.11Å; F5-Y7 HydrophobicContact CD1-CE2 4.2Å; F5-Y7 HydrophobicContact CE1-CE2 4.16Å
8	H	44.5	Very low	45.1	Very low	172 Å²	172	151.7 Å²	151.7	80%	0.796	74%	0.735	S	S	*	*			trans	-73.4	147	-168.1	-115	43.4	0	0	0	113.8
9	N	42.2	Very low	45.7	Very low	134 Å²	134	146.7 Å²	146.7	72%	0.717	72%	0.721	S	S	*	*			trans	-75.3	116.9	-176.8	-156.8	-8.3	0	0	0	111
10	R	45.2	Very low	46.1	Very low	240 Å²	240	145.3 Å²	145.3	91%	0.906	72%	0.716	S	S	*	*	S	Bend	trans	-123.1	7.1	168	-86	-162.4	-168.5	-171.9	5.7	115
11	Y	46.1	Very low	46.4	Very low	191 Å²	191	145.7 Å²	145.7	75%	0.749	71%	0.714	S	S	*	*	S	Bend	trans	-118.4	2.6	-179.8	-78.4	-84.3	0	0	0	115	N13	Y11-N13 PolarHBondContact O-N 3.27Å
12	G	46.1	Very low	47.2	Very low	25 Å²	25	139.9 Å²	139.9	26%	0.258	69%	0.686	S	S	.	*	H	α-helix	trans	-67.5	-28.1	-172.2	0	0	0	0	0	117.2	Q16	G12-Q16 PolarHBondContact O-N 3.01Å
13	N	51.3	Low	47.9	Very low	134 Å²	134	138.3 Å²	138.3	72%	0.717	67%	0.672	S	S	*	*	H	α-helix	trans	-85.1	-22.5	-169.2	-88	-10	0	0	0	115.7	Y11	Y11-N13 PolarHBondContact O-N 3.27Å
14	S	53.2	Low	48.7	Very low	72 Å²	72	135.6 Å²	135.6	50%	0.503	66%	0.661	S	S	.	*	H	α-helix	trans	-85	-33.9	175.4	77.1	0	0	0	0	112.2	K17 N18	S14-K17 PolarHBondContact O-N 3.13Å; S14-N18 PolarHBondContact O-N 3.4Å; S14-N18 VanDerWaalsContact O-N 3.13Å
15	L	50.9	Low	49.2	Very low	121 Å²	121	137.8 Å²	137.8	63%	0.634	66%	0.658	S	S	*	*	H	α-helix	trans	-64.5	-40.7	176.5	-91.7	152	0	0	0	112.2	N18 A19	L15-N18 PolarHBondContact O-N 3.31Å; L15-A19 VanDerWaalsContact O-CB 3.3Å; L15-A19 WeakPolarHBondContact O-CB 3.29Å; L15-A19 PolarHBondContact O-N 3.15Å
16	Q	54	Low	49.5	Very low	140 Å²	140	131.5 Å²	131.5	65%	0.654	64%	0.641	S	S	*	*	H	α-helix	trans	-66.8	-38.7	176.6	-78.6	-170.7	-27.7	0	0	113.3	G12 A19 L20	G12-Q16 PolarHBondContact O-N 3.01Å; Q16-A19 PolarHBondContact O-N 3.31Å; Q16-L20 WeakPolarHBondContact O-CB 3.46Å; Q16-L20 PolarHBondContact O-N 2.88Å
17	K	55.6	Low	50.2	Low	157 Å²	157	129.3 Å²	129.3	68%	0.683	63%	0.629	S	S	*	*	H	α-helix	trans	-68.3	-36.8	177.4	-74	-174	178.9	-177.7	0	112.4	S14 K21	S14-K17 PolarHBondContact O-N 3.13Å; K17-K21 PolarHBondContact O-N 3.36Å
18	N	56.6	Low	50.5	Low	96 Å²	96	122.6 Å²	122.6	51%	0.513	61%	0.613	S	S	.	*	H	α-helix	trans	-72.1	-40	175.2	-75.6	-12.5	0	0	0	111.9	S14 L15 L20 K21 I22	S14-N18 PolarHBondContact O-N 3.4Å; S14-N18 VanDerWaalsContact O-N 3.13Å; L15-N18 PolarHBondContact O-N 3.31Å; N18-L20 VanDerWaalsContact C-N 3.34Å; N18-L20 PolarHBondContact O-N 3.47Å; N18-K21 PolarHBondContact O-N 3.05Å; N18-I22 VanDerWaalsContact O-CG1 3.27Å; N18-I22 WeakPolarHBondContact O-CG1 3.21Å; N18-I22 PolarHBondContact O-N 2.89Å
19	A	56	Low	50.5	Low	56 Å²	56	118.5 Å²	118.5	46%	0.463	60%	0.597	S	S	.	*	H	α-helix	trans	-60.3	-42.9	174.9	0	0	0	0	0	111.9	L15 Q16 I22 F23	L15-A19 VanDerWaalsContact O-CB 3.3Å; L15-A19 WeakPolarHBondContact O-CB 3.29Å; L15-A19 PolarHBondContact O-N 3.15Å; Q16-A19 PolarHBondContact O-N 3.31Å; A19-I22 PolarHBondContact O-N 3.49Å; A19-F23 WeakPolarHBondContact O-CB 3.38Å; A19-F23 PolarHBondContact O-N 2.95Å
20	L	54.1	Low	50.6	Low	119 Å²	119	115.8 Å²	115.8	62%	0.623	59%	0.587	S	S	*	*	H	α-helix	trans	-65.8	-40.7	178	-168	66.9	0	0	0	112.2	Q16 N18 F23 V24	Q16-L20 WeakPolarHBondContact O-CB 3.46Å; Q16-L20 PolarHBondContact O-N 2.88Å; N18-L20 VanDerWaalsContact C-N 3.34Å; N18-L20 PolarHBondContact O-N 3.47Å; L20-F23 PolarHBondContact O-N 3.37Å; L20-V24 VanDerWaalsContact O-CG2 3.3Å; L20-V24 WeakPolarHBondContact O-CG2 3.4Å; L20-V24 PolarHBondContact O-N 3.3Å
21	K	51.2	Low	50.6	Low	154 Å²	154	109.2 Å²	109.2	67%	0.67	57%	0.57	S	S	*	*	H	α-helix	trans	-63.4	-42.3	174.5	-77.9	-175.7	177.1	-176.3	0	112.3	K17 N18 F23 F25	K17-K21 PolarHBondContact O-N 3.36Å; N18-K21 PolarHBondContact O-N 3.05Å; K21-F23 VanDerWaalsContact C-N 3.34Å; K21-F25 WeakPolarHBondContact O-CB 3.4Å; K21-F25 PolarHBondContact O-N 3.38Å
22	I	56.5	Low	50.7	Low	120 Å²	120	103.7 Å²	103.7	62%	0.615	56%	0.556	S	S	*	*	H	α-helix	trans	-63.5	-43	176.4	-68.6	165.3	0	0	0	110.2	N18 A19 F25 A26	N18-I22 VanDerWaalsContact O-CG1 3.27Å; N18-I22 WeakPolarHBondContact O-CG1 3.21Å; N18-I22 PolarHBondContact O-N 2.89Å; A19-I22 PolarHBondContact O-N 3.49Å; I22-F25 PolarHBondContact O-N 2.98Å; I22-A26 VanDerWaalsContact O-CB 3.32Å; I22-A26 WeakPolarHBondContact O-CB 3.46Å; I22-A26 PolarHBondContact O-N 2.83Å
23	F	49.9	Very low	50.8	Low	144 Å²	144	106.3 Å²	106.3	63%	0.632	57%	0.57	S	S	*	*	H	α-helix	trans	-64.9	-45.9	179.9	-145.3	-91.3	0	0	0	111.8	A19 L20 K21 F25 A26 F27	A19-F23 WeakPolarHBondContact O-CB 3.38Å; A19-F23 PolarHBondContact O-N 2.95Å; L20-F23 PolarHBondContact O-N 3.37Å; K21-F23 VanDerWaalsContact C-N 3.34Å; F23-F25 PolarHBondContact O-N 2.96Å; F23-A26 PolarHBondContact O-N 2.94Å; F23-F27 HydrophobicContact CE1-CD2 4.21Å; F23-F27 WeakPolarHBondContact O-CB 3.42Å; F23-F27 PolarHBondContact O-N 2.96Å
24	V	54.4	Low	50.8	Low	93 Å²	93	104.5 Å²	104.5	56%	0.564	56%	0.564	S	S	*	*	H	α-helix	trans	-63.1	-41.2	176.7	173.1	0	0	0	0	111.2	L20 F27 C28	L20-V24 VanDerWaalsContact O-CG2 3.3Å; L20-V24 WeakPolarHBondContact O-CG2 3.4Å; L20-V24 PolarHBondContact O-N 3.3Å; V24-F27 PolarHBondContact O-N 3.15Å; V24-C28 VanDerWaalsContact O-CB 3.26Å; V24-C28 WeakPolarHBondContact O-CB 3.46Å; V24-C28 PolarHBondContact O-N 2.91Å
25	F	46.5	Very low	50.8	Low	143 Å²	143	105.1 Å²	105.1	63%	0.627	57%	0.565	S	S	*	*	H	α-helix	trans	-67.4	-41.2	178.4	-157.1	-100	0	0	0	112	K21 I22 F23 N29	K21-F25 WeakPolarHBondContact O-CB 3.4Å; K21-F25 PolarHBondContact O-N 3.38Å; I22-F25 PolarHBondContact O-N 2.98Å; F23-F25 PolarHBondContact O-N 2.96Å; F25-N29 WeakPolarHBondContact CD1-ND2 3.46Å; F25-N29 WeakPolarHBondContact CE1-ND2 3.41Å; F25-N29 WeakPolarHBondContact O-CB 3.39Å; F25-N29 PolarHBondContact O-N 3.22Å; F25-N29 PolarHBondContact O-ND2 2.94Å; F25-N29 VanDerWaalsContact O-ND2 3.16Å
26	A	48.2	Very low	50.9	Low	56 Å²	56	103.6 Å²	103.6	46%	0.463	56%	0.556	S	S	.	*	H	α-helix	trans	-65	-42.2	175	0	0	0	0	0	112	I22 F23 N29 C30	I22-A26 VanDerWaalsContact O-CB 3.32Å; I22-A26 WeakPolarHBondContact O-CB 3.46Å; I22-A26 PolarHBondContact O-N 2.83Å; F23-A26 PolarHBondContact O-N 2.94Å; A26-N29 PolarHBondContact O-N 2.87Å; A26-C30 VanDerWaalsContact O-CB 3.27Å; A26-C30 WeakPolarHBondContact O-CB 3.34Å; A26-C30 PolarHBondContact O-N 3.38Å
27	F	52.4	Low	51	Low	133 Å²	133	98.7 Å²	98.7	58%	0.583	54%	0.544	S	S	*	.	H	α-helix	trans	-66.7	-41.8	178.2	-140.3	-91.4	0	0	0	111.7	F23 V24 C30 L31	F23-F27 HydrophobicContact CE1-CD2 4.21Å; F23-F27 WeakPolarHBondContact O-CB 3.42Å; F23-F27 PolarHBondContact O-N 2.96Å; V24-F27 PolarHBondContact O-N 3.15Å; F27-C30 PolarHBondContact O-N 3.31Å; F27-L31 HydrophobicContact CD1-CD1 3.8Å; F27-L31 HydrophobicContact CE1-CD1 3.85Å; F27-L31 PolarHBondContact O-N 3.44Å
28	C	44.9	Very low	51.1	Low	75 Å²	75	95 Å²	95	51%	0.507	54%	0.538	S	S	.	.	H	α-helix	trans	-65.2	-45.1	176.9	-159	0	0	0	0	111.4	V24 C30 L31 V32	V24-C28 VanDerWaalsContact O-CB 3.26Å; V24-C28 WeakPolarHBondContact O-CB 3.46Å; V24-C28 PolarHBondContact O-N 2.91Å; C28-C30 VanDerWaalsContact C-N 3.31Å; C28-C30 PolarHBondContact O-N 3.39Å; C28-L31 PolarHBondContact O-N 2.84Å; C28-V32 VanDerWaalsContact O-CG2 3.3Å; C28-V32 WeakPolarHBondContact O-CG2 3.19Å; C28-V32 PolarHBondContact O-N 2.77Å
29	N	44.3	Very low	51.2	Low	85 Å²	85	94.4 Å²	94.4	46%	0.455	54%	0.537	S	S	.	.	H	α-helix	trans	-63.9	-35.5	174.7	-75.3	-32.6	0	0	0	112.6	F25 A26 S33	F25-N29 WeakPolarHBondContact CD1-ND2 3.46Å; F25-N29 WeakPolarHBondContact CE1-ND2 3.41Å; F25-N29 WeakPolarHBondContact O-CB 3.39Å; F25-N29 PolarHBondContact O-N 3.22Å; F25-N29 PolarHBondContact O-ND2 2.94Å; F25-N29 VanDerWaalsContact O-ND2 3.16Å; A26-N29 PolarHBondContact O-N 2.87Å; N29-S33 VanDerWaalsContact O-CB 3.27Å; N29-S33 WeakPolarHBondContact O-CB 3.29Å; N29-S33 PolarHBondContact O-N 3.11Å
30	C	44.3	Very low	51.3	Low	77 Å²	77	97.1 Å²	97.1	52%	0.52	54%	0.536	S	S	.	.	H	α-helix	trans	-65.8	-46.9	175.1	-165.3	0	0	0	0	110.9	A26 F27 C28 V32 S33 V34	A26-C30 VanDerWaalsContact O-CB 3.27Å; A26-C30 WeakPolarHBondContact O-CB 3.34Å; A26-C30 PolarHBondContact O-N 3.38Å; F27-C30 PolarHBondContact O-N 3.31Å; C28-C30 VanDerWaalsContact C-N 3.31Å; C28-C30 PolarHBondContact O-N 3.39Å; C30-V32 PolarHBondContact O-N 3.08Å; C30-S33 PolarHBondContact O-N 2.98Å; C30-V34 VanDerWaalsContact O-CG2 3.27Å; C30-V34 WeakPolarHBondContact O-CG2 3.47Å; C30-V34 PolarHBondContact O-N 3.44Å
31	L	46	Very low	51.5	Low	103 Å²	103	98.9 Å²	98.9	54%	0.539	53%	0.534	S	S	.	.	H	α-helix	trans	-59.7	-47	175.4	-114.2	100	0	0	0	111.8	F27 C28 S33 V34 V35	F27-L31 HydrophobicContact CD1-CD1 3.8Å; F27-L31 HydrophobicContact CE1-CD1 3.85Å; F27-L31 PolarHBondContact O-N 3.44Å; C28-L31 PolarHBondContact O-N 2.84Å; L31-S33 VanDerWaalsContact C-N 3.32Å; L31-S33 PolarHBondContact O-N 2.83Å; L31-V34 PolarHBondContact O-N 3Å; L31-V35 VanDerWaalsContact O-CG2 3.31Å; L31-V35 WeakPolarHBondContact O-CG2 3.27Å; L31-V35 PolarHBondContact O-N 3.17Å
32	V	49.2	Very low	52.2	Low	74 Å²	74	95.3 Å²	95.3	45%	0.448	53%	0.528	S	S	.	.	H	α-helix	trans	-61	-42.6	177.9	171.5	0	0	0	0	110.6	C28 C30 V34 V35 L36	C28-V32 VanDerWaalsContact O-CG2 3.3Å; C28-V32 WeakPolarHBondContact O-CG2 3.19Å; C28-V32 PolarHBondContact O-N 2.77Å; C30-V32 PolarHBondContact O-N 3.08Å; V32-V34 PolarHBondContact O-N 3.31Å; V32-V35 PolarHBondContact O-N 2.79Å; V32-L36 HydrophobicContact CG1-CD1 3.64Å; V32-L36 HydrophobicContact CG1-CG 4.26Å; V32-L36 VanDerWaalsContact O-CB 3.28Å; V32-L36 WeakPolarHBondContact O-CB 3.34Å; V32-L36 VanDerWaalsContact O-CG 3.22Å; V32-L36 WeakPolarHBondContact O-CG 3.36Å; V32-L36 PolarHBondContact O-N 3.12Å
33	S	47.4	Very low	53.6	Low	80 Å²	80	92 Å²	92	56%	0.559	52%	0.515	S	S	*	.	H	α-helix	trans	-65.2	-37.5	176.6	-172.4	0	0	0	0	112.8	N29 C30 L31 G37	N29-S33 VanDerWaalsContact O-CB 3.27Å; N29-S33 WeakPolarHBondContact O-CB 3.29Å; N29-S33 PolarHBondContact O-N 3.11Å; C30-S33 PolarHBondContact O-N 2.98Å; L31-S33 VanDerWaalsContact C-N 3.32Å; L31-S33 PolarHBondContact O-N 2.83Å; S33-G37 PolarHBondContact O-N 3.48Å
34	V	51	Low	55.8	Low	96 Å²	96	85.6 Å²	85.6	58%	0.582	49%	0.487	S	S	*	.	H	α-helix	trans	-68.9	-44.8	176.8	170.3	0	0	0	0	110.6	C30 L31 V32 G37 S38	C30-V34 VanDerWaalsContact O-CG2 3.27Å; C30-V34 WeakPolarHBondContact O-CG2 3.47Å; C30-V34 PolarHBondContact O-N 3.44Å; L31-V34 PolarHBondContact O-N 3Å; V32-V34 PolarHBondContact O-N 3.31Å; V34-G37 PolarHBondContact O-N 3.39Å; V34-S38 WeakPolarHBondContact O-CB 3.33Å; V34-S38 PolarHBondContact O-N 2.73Å
35	V	52.4	Low	57.7	Low	86 Å²	86	83.2 Å²	83.2	52%	0.521	47%	0.471	S	S	.	.	H	α-helix	trans	-63	-48.2	176.6	173.5	0	0	0	0	110.4	L31 V32 G37 S38 V39	L31-V35 VanDerWaalsContact O-CG2 3.31Å; L31-V35 WeakPolarHBondContact O-CG2 3.27Å; L31-V35 PolarHBondContact O-N 3.17Å; V32-V35 PolarHBondContact O-N 2.79Å; V35-G37 VanDerWaalsContact C-N 3.33Å; V35-G37 PolarHBondContact O-N 2.81Å; V35-S38 PolarHBondContact O-N 3.48Å; V35-V39 HydrophobicContact CG1-CG2 4.4Å; V35-V39 VanDerWaalsContact O-CG2 3.3Å; V35-V39 WeakPolarHBondContact O-CG2 3.45Å; V35-V39 PolarHBondContact O-N 3.27Å
36	L	53.6	Low	60.1	Low	88 Å²	88	79.3 Å²	79.3	46%	0.461	46%	0.461	S	S	.	.	H	α-helix	trans	-61.6	-40.6	176.2	-73.5	169.1	0	0	0	112	V32 V39 R40	V32-L36 HydrophobicContact CG1-CD1 3.64Å; V32-L36 HydrophobicContact CG1-CG 4.26Å; V32-L36 VanDerWaalsContact O-CB 3.28Å; V32-L36 WeakPolarHBondContact O-CB 3.34Å; V32-L36 VanDerWaalsContact O-CG 3.22Å; V32-L36 WeakPolarHBondContact O-CG 3.36Å; V32-L36 PolarHBondContact O-N 3.12Å; L36-V39 PolarHBondContact O-N 3.24Å; L36-R40 VanDerWaalsContact O-CB 3.29Å; L36-R40 WeakPolarHBondContact O-CB 3.44Å; L36-R40 WeakPolarHBondContact O-CD 3.45Å; L36-R40 WeakPolarHBondContact O-CG 3.4Å; L36-R40 PolarHBondContact O-N 3.24Å
37	G	55.6	Low	62.5	Low	38 Å²	38	76.6 Å²	76.6	39%	0.392	44%	0.439	S	S	.	.	H	α-helix	trans	-62.6	-42.2	175.4	0	0	0	0	0	112.6	S33 V34 V35 R41	S33-G37 PolarHBondContact O-N 3.48Å; V34-G37 PolarHBondContact O-N 3.39Å; V35-G37 VanDerWaalsContact C-N 3.33Å; V35-G37 PolarHBondContact O-N 2.81Å; G37-R41 WeakPolarHBondContact O-CB 3.17Å; G37-R41 PolarHBondContact O-N 3.37Å
38	S	58.7	Low	64.6	Low	80 Å²	80	71.5 Å²	71.5	56%	0.559	42%	0.416	S	S	*	.	H	α-helix	trans	-65.5	-46.5	175.8	-174.5	0	0	0	0	112	V34 V35 R40 R41 S42	V34-S38 WeakPolarHBondContact O-CB 3.33Å; V34-S38 PolarHBondContact O-N 2.73Å; V35-S38 PolarHBondContact O-N 3.48Å; S38-R40 PolarHBondContact O-N 3.22Å; S38-R41 PolarHBondContact O-N 2.73Å; S38-S42 WeakPolarHBondContact O-CB 3.43Å; S38-S42 PolarHBondContact O-N 3.1Å
39	V	59.5	Low	67.1	Low	82 Å²	82	75 Å²	75	50%	0.497	42%	0.422	S	S	.	.	H	α-helix	trans	-61.2	-45.5	176.4	173.6	0	0	0	0	110.9	V35 L36 R41 S42 C43	V35-V39 HydrophobicContact CG1-CG2 4.4Å; V35-V39 VanDerWaalsContact O-CG2 3.3Å; V35-V39 WeakPolarHBondContact O-CG2 3.45Å; V35-V39 PolarHBondContact O-N 3.27Å; L36-V39 PolarHBondContact O-N 3.24Å; V39-R41 PolarHBondContact O-N 3.34Å; V39-S42 WeakPolarHBondContact O-CB 3.28Å; V39-S42 PolarHBondContact O-N 3.44Å; V39-C43 PolarHBondContact O-N 2.63Å; V39-C43 PolarHBondContact O-SG 3.38Å
40	R	56.7	Low	69.6	Low	114 Å²	114	72.6 Å²	72.6	43%	0.43	41%	0.409	S	S	.	.	H	α-helix	trans	-60.8	-45.7	176.8	-75.8	172.2	-178.2	-140.1	-2	112.1	L36 S38 S42 C43 Y44 S161 E162	L36-R40 VanDerWaalsContact O-CB 3.29Å; L36-R40 WeakPolarHBondContact O-CB 3.44Å; L36-R40 WeakPolarHBondContact O-CD 3.45Å; L36-R40 WeakPolarHBondContact O-CG 3.4Å; L36-R40 PolarHBondContact O-N 3.24Å; S38-R40 PolarHBondContact O-N 3.22Å; R40-S42 VanDerWaalsContact C-N 3.29Å; R40-S42 PolarHBondContact O-N 2.92Å; R40-C43 WeakPolarHBondContact O-CB 3.06Å; R40-C43 PolarHBondContact O-N 3.04Å; R40-Y44 PolarHBondContact O-N 3.29Å; R40-S161 CarbonylContact C-O 3.59Å; R40-S161 WeakPolarHBondContact CB-O 3.46Å; R40-E162 IonicContact CZ-OE1 3.36Å; R40-E162 IonicContact NH1-OE1 3.34Å; R40-E162 PolarHBondContact NH1-OE1 3.31Å
41	R	59.7	Low	72.2	Confident	156 Å²	156	68.9 Å²	68.9	59%	0.589	39%	0.385	S	S	*	.	H	α-helix	trans	-63.6	-37.6	176.9	-162.1	172.8	-173.6	177.6	-0	111.4	G37 S38 V39 C43 Y44 N45	G37-R41 WeakPolarHBondContact O-CB 3.17Å; G37-R41 PolarHBondContact O-N 3.37Å; S38-R41 PolarHBondContact O-N 2.73Å; V39-R41 PolarHBondContact O-N 3.34Å; R41-C43 VanDerWaalsContact C-N 3.33Å; R41-C43 PolarHBondContact O-N 2.92Å; R41-Y44 PolarHBondContact O-N 3.02Å; R41-N45 VanDerWaalsContact O-CG 3.26Å; R41-N45 PolarHBondContact O-N 3.11Å; R41-N45 PolarHBondContact O-OD1 2.98Å
42	S	66.1	Low	74.6	Confident	78 Å²	78	67.5 Å²	67.5	55%	0.545	38%	0.377	S	S	.	.	H	α-helix	trans	-60.7	-39.6	174	-176	0	0	0	0	112.3	S38 V39 R40 Y44 N45 S46	S38-S42 WeakPolarHBondContact O-CB 3.43Å; S38-S42 PolarHBondContact O-N 3.1Å; V39-S42 WeakPolarHBondContact O-CB 3.28Å; V39-S42 PolarHBondContact O-N 3.44Å; R40-S42 VanDerWaalsContact C-N 3.29Å; R40-S42 PolarHBondContact O-N 2.92Å; S42-Y44 PolarHBondContact O-N 2.85Å; S42-N45 PolarHBondContact O-N 2.99Å; S42-S46 PolarHBondContact O-N 2.96Å
43	C	84.4	Confident	76.9	Confident	50 Å²	50	64.1 Å²	64.1	34%	0.338	36%	0.357	S	S	.	.	H	α-helix	trans	-60.3	-46.7	177	-65.4	0	0	0	0	112.5	V39 R40 R41 S46 S164	V39-C43 PolarHBondContact O-N 2.63Å; V39-C43 PolarHBondContact O-SG 3.38Å; R40-C43 WeakPolarHBondContact O-CB 3.06Å; R40-C43 PolarHBondContact O-N 3.04Å; R41-C43 VanDerWaalsContact C-N 3.33Å; R41-C43 PolarHBondContact O-N 2.92Å; C43-S46 PolarHBondContact O-N 3.22Å; C43-S46 PolarHBondContact O-OG 3.08Å; C43-S164 WeakPolarHBondContact O-CB 3.13Å
44	Y	96	Very high	79.2	Confident	10 Å²	10	63.4 Å²	63.4	4%	0.039	35%	0.347	C	S	.	.	H	α-helix	trans	-70	-36	-178.7	-172.8	-123.9	0	0	0	112.9	R40 R41 S42 S46 T47 L160 Q163 S166 R167 L168 G234	R40-Y44 PolarHBondContact O-N 3.29Å; R41-Y44 PolarHBondContact O-N 3.02Å; S42-Y44 PolarHBondContact O-N 2.85Å; Y44-S46 PolarHBondContact O-N 2.86Å; Y44-T47 HydrophobicContact CD2-CG2 4.46Å; Y44-T47 WeakPolarHBondContact O-CB 3.49Å; Y44-T47 PolarHBondContact O-N 2.99Å; Y44-T47 PolarHBondContact O-OG1 2.96Å; Y44-L160 HydrophobicContact CD2-CB 4.23Å; Y44-L160 WeakPolarHBondContact CD2-O 3.43Å; Y44-L160 HydrophobicContact CE1-CB 4.44Å; Y44-L160 HydrophobicContact CE2-CB 3.81Å; Y44-L160 HydrophobicContact CE2-CD2 3.78Å; Y44-L160 HydrophobicContact CE2-CG 4.28Å; Y44-Q163 VanDerWaalsContact CD2-NE2 3.31Å; Y44-S166 WeakPolarHBondContact CE2-O 3.48Å; Y44-R167 PolarHBondContact O-NH2 3.11Å; Y44-L168 PolarHBondContact OH-N 3.34Å; Y44-L168 VanDerWaalsContact OH-N 3.11Å; Y44-G234 VanDerWaalsContact CE1-O 3.29Å; Y44-G234 WeakPolarHBondContact CE1-O 3.39Å; Y44-G234 PolarHBondContact OH-O 3.34Å
45	N	95.5	Very high	81.3	Confident	44 Å²	44	63.3 Å²	63.3	24%	0.235	34%	0.343	C	S	.	.	H	α-helix	trans	-57.6	-33.7	177.8	-73.8	-1.6	0	0	0	112.4	R41 S42 T47 R48	R41-N45 VanDerWaalsContact O-CG 3.26Å; R41-N45 PolarHBondContact O-N 3.11Å; R41-N45 PolarHBondContact O-OD1 2.98Å; S42-N45 PolarHBondContact O-N 2.99Å; N45-T47 PolarHBondContact O-N 2.65Å; N45-R48 VanDerWaalsContact CG-CZ 3.43Å; N45-R48 WeakPolarHBondContact O-CB 3.35Å; N45-R48 WeakPolarHBondContact O-CD 3.37Å; N45-R48 WeakPolarHBondContact O-CG 3.36Å; N45-R48 PolarHBondContact O-N 2.91Å; N45-R48 PolarHBondContact OD1-NH2 2.89Å
46	S	96	Very high	83.4	Confident	60 Å²	60	66.2 Å²	66.2	42%	0.42	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-16.1	176.4	76.2	0	0	0	0	114.8	S42 C43 Y44	S42-S46 PolarHBondContact O-N 2.96Å; C43-S46 PolarHBondContact O-N 3.22Å; C43-S46 PolarHBondContact O-OG 3.08Å; Y44-S46 PolarHBondContact O-N 2.86Å
47	T	98	Very high	85.6	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-4.5	177.9	69.2	0	0	0	0	113.7	Y44 N45 K49 N50 S164 R167	Y44-T47 HydrophobicContact CD2-CG2 4.46Å; Y44-T47 WeakPolarHBondContact O-CB 3.49Å; Y44-T47 PolarHBondContact O-N 2.99Å; Y44-T47 PolarHBondContact O-OG1 2.96Å; N45-T47 PolarHBondContact O-N 2.65Å; T47-K49 PolarHBondContact O-N 3.24Å; T47-N50 VanDerWaalsContact O-CB 3.27Å; T47-N50 WeakPolarHBondContact O-CB 3.42Å; T47-N50 PolarHBondContact O-N 2.91Å; T47-S164 VanDerWaalsContact CG2-O 3.26Å; T47-S164 WeakPolarHBondContact CG2-O 3.35Å; T47-R167 PolarHBondContact OG1-NE 3.48Å; T47-R167 PolarHBondContact OG1-NH2 3.37Å
48	R	98.1	Very high	87.6	Confident	26 Å²	26	64.8 Å²	64.8	10%	0.098	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-55.2	-35.7	178.3	-75.1	165	-176.8	163.7	-16.4	112.8	N45 N50 I51 D239 E242 V243	N45-R48 VanDerWaalsContact CG-CZ 3.43Å; N45-R48 WeakPolarHBondContact O-CB 3.35Å; N45-R48 WeakPolarHBondContact O-CD 3.37Å; N45-R48 WeakPolarHBondContact O-CG 3.36Å; N45-R48 PolarHBondContact O-N 2.91Å; N45-R48 PolarHBondContact OD1-NH2 2.89Å; R48-N50 PolarHBondContact O-N 3.38Å; R48-I51 VanDerWaalsContact O-CB 3.24Å; R48-I51 WeakPolarHBondContact O-CB 3.26Å; R48-I51 VanDerWaalsContact O-CG1 3.28Å; R48-I51 WeakPolarHBondContact O-CG1 3.5Å; R48-I51 PolarHBondContact O-N 3.21Å; R48-D239 HydrophobicContact CG-CB 4.14Å; R48-D239 IonicContact CZ-OD1 2.83Å; R48-D239 VanDerWaalsContact CZ-OD1 3.25Å; R48-D239 IonicContact NE-OD1 3.37Å; R48-D239 PolarHBondContact NE-OD1 3.42Å; R48-D239 IonicContact NH2-OD1 2.73Å; R48-D239 PolarHBondContact NH2-OD1 2.92Å; R48-E242 WeakPolarHBondContact CD-OE1 3.43Å; R48-E242 IonicContact CZ-OE1 2.86Å; R48-E242 IonicContact CZ-OE2 3.49Å; R48-E242 IonicContact NE-OE1 3.38Å; R48-E242 IonicContact NE-OE2 2.85Å; R48-E242 IonicContact NH1-OE1 2.99Å; R48-E242 PolarHBondContact NH1-OE1 3.27Å; R48-E242 IonicContact NH1-OE2 3.69Å; R48-E242 PolarHBondContact NH1-OE2 3.31Å; R48-E242 IonicContact NH2-OE2 3.91Å; R48-V243 HydrophobicContact CB-CG2 4.09Å; R48-V243 WeakPolarHBondContact O-CG2 3.42Å
49	K	96.7	Very high	89.5	Confident	148 Å²	148	61 Å²	61	64%	0.643	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-52.5	-27.5	173.5	67.9	-174.8	177.6	-179.7	0	114	T47 I51 L52	T47-K49 PolarHBondContact O-N 3.24Å; K49-I51 PolarHBondContact O-N 2.89Å; K49-L52 PolarHBondContact O-N 3.46Å
50	N	97.9	Very high	91.4	Very high	34 Å²	34	57.1 Å²	57.1	18%	0.182	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-72.7	-9.3	179.2	-58.7	-16.7	0	0	0	112.8	T47 R48 L52 P139 A165 R167	T47-N50 VanDerWaalsContact O-CB 3.27Å; T47-N50 WeakPolarHBondContact O-CB 3.42Å; T47-N50 PolarHBondContact O-N 2.91Å; R48-N50 PolarHBondContact O-N 3.38Å; N50-L52 VanDerWaalsContact C-N 3.31Å; N50-P139 HydrophobicContact CB-CB 4.48Å; N50-P139 WeakPolarHBondContact CB-O 3.24Å; N50-P139 PolarHBondContact ND2-O 3.47Å; N50-A165 PolarHBondContact ND2-O 3.06Å; N50-R167 HydrophobicContact CB-CB 4.02Å
51	I	98.2	Very high	93.4	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-72.4	-27.7	172.7	-61.2	172.2	0	0	0	110.6	R48 K49 L53 R167 I176 L223 V225 T235 D239 V243	R48-I51 VanDerWaalsContact O-CB 3.24Å; R48-I51 WeakPolarHBondContact O-CB 3.26Å; R48-I51 VanDerWaalsContact O-CG1 3.28Å; R48-I51 WeakPolarHBondContact O-CG1 3.5Å; R48-I51 PolarHBondContact O-N 3.21Å; K49-I51 PolarHBondContact O-N 2.89Å; I51-L53 PolarHBondContact O-N 3.18Å; I51-R167 HydrophobicContact CD1-CG 4.35Å; I51-R167 HydrophobicContact CG1-CG 3.84Å; I51-I176 HydrophobicContact CG2-CD1 3.74Å; I51-I176 WeakPolarHBondContact O-CD1 3.26Å; I51-L223 HydrophobicContact CG2-CD2 4.11Å; I51-V225 HydrophobicContact CG2-CG2 3.81Å; I51-T235 HydrophobicContact CD1-CG2 3.75Å; I51-D239 HydrophobicContact CD1-CB 4.46Å; I51-V243 HydrophobicContact CB-CG2 4.34Å; I51-V243 HydrophobicContact CD1-CG2 4.36Å
52	L	96.4	Very high	95.3	Very high	74 Å²	74	44.4 Å²	44.4	39%	0.387	23%	0.231	S	C	.	.	S	Bend	trans	-71.7	100.6	178.5	-71.2	173.5	0	0	0	110.6	K49 N50 L223 V243 D247	K49-L52 PolarHBondContact O-N 3.46Å; N50-L52 VanDerWaalsContact C-N 3.31Å; L52-L223 HydrophobicContact CD2-CD2 4.19Å; L52-V243 HydrophobicContact CD1-CG1 4.25Å; L52-V243 HydrophobicContact CD2-CG1 3.34Å; L52-V243 HydrophobicContact CG-CG1 3.56Å; L52-D247 HydrophobicContact CD2-CB 4.44Å
53	L	96.6	Very high	96.8	Very high	3 Å²	3	41.7 Å²	41.7	2%	0.016	22%	0.215	C	C	.	.			trans	-70.1	148.7	173.1	-61.3	179.7	0	0	0	111.7	I51 T57 L140 I176 K178 C182 I184 L223	I51-L53 PolarHBondContact O-N 3.18Å; L53-T57 HydrophobicContact CD2-CG2 4.17Å; L53-L140 HydrophobicContact CD2-CD2 3.67Å; L53-I176 HydrophobicContact CD1-CB 4.42Å; L53-I176 HydrophobicContact CD1-CD1 4.26Å; L53-I176 HydrophobicContact CD1-CG1 3.82Å; L53-I176 HydrophobicContact CD1-CG2 4.06Å; L53-I176 HydrophobicContact CD2-CG2 4.48Å; L53-I176 HydrophobicContact CG-CD1 4.09Å; L53-I176 HydrophobicContact CG-CG1 4.2Å; L53-K178 HydrophobicContact CB-CB 3.96Å; L53-K178 HydrophobicContact CB-CD 4.45Å; L53-K178 HydrophobicContact CD1-CB 4.35Å; L53-K178 WeakPolarHBondContact O-CD 3.46Å; L53-K178 PolarHBondContact O-NZ 2.7Å; L53-K178 VanDerWaalsContact O-NZ 3.11Å; L53-C182 HydrophobicContact CB-CB 4.14Å; L53-C182 HydrophobicContact CD1-CB 4.08Å; L53-I184 HydrophobicContact CD2-CD1 3.7Å; L53-I184 HydrophobicContact CD2-CG1 4.5Å; L53-L223 HydrophobicContact CB-CD1 4.46Å; L53-L223 HydrophobicContact CD1-CD1 4.39Å; L53-L223 HydrophobicContact CG-CD1 4.35Å
54	D	95.6	Very high	97.5	Very high	64 Å²	64	39.3 Å²	39.3	34%	0.342	20%	0.199	S	C	.	.			trans	-140.9	175.8	173.4	65.8	18	0	0	0	111.3	K56 T57	D54-K56 PolarHBondContact O-N 3.32Å; D54-K56 WeakPolarHBondContact OD1-CA 3.35Å; D54-K56 WeakPolarHBondContact OD1-CB 3.3Å; D54-K56 PolarHBondContact OD1-N 3.17Å; D54-T57 PolarHBondContact N-OG1 3.22Å; D54-T57 WeakPolarHBondContact O-CB 3.22Å; D54-T57 PolarHBondContact O-N 2.92Å; D54-T57 PolarHBondContact O-OG1 3.46Å; D54-T57 VanDerWaalsContact O-OG1 3.14Å; D54-T57 PolarHBondContact OD1-N 2.77Å; D54-T57 PolarHBondContact OD1-OG1 3.4Å
55	D	95.7	Very high	97.6	Very high	94 Å²	94	40.4 Å²	40.4	50%	0.503	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-13	177.9	70.7	-46.8	0	0	0	112.2	K82 V181	D55-K82 VanDerWaalsContact O-CD 3.24Å; D55-K82 WeakPolarHBondContact O-CD 3.45Å; D55-K82 WeakPolarHBondContact O-CE 3.49Å; D55-K82 PolarHBondContact O-NZ 3.46Å; D55-V181 HydrophobicContact CB-CG1 4.14Å; D55-V181 VanDerWaalsContact N-CG1 3.28Å
56	K	97.1	Very high	97.8	Very high	147 Å²	147	39.9 Å²	39.9	64%	0.639	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-8.8	178.3	-62.4	174.5	-173.6	173.2	0	112.5	D54 K58	D54-K56 PolarHBondContact O-N 3.32Å; D54-K56 WeakPolarHBondContact OD1-CA 3.35Å; D54-K56 WeakPolarHBondContact OD1-CB 3.3Å; D54-K56 PolarHBondContact OD1-N 3.17Å; K56-K58 PolarHBondContact O-N 3.11Å; K56-K58 VanDerWaalsContact O-N 3.08Å
57	T	98.4	Very high	97.9	Very high	12 Å²	12	45.6 Å²	45.6	7%	0.074	23%	0.229	C	C	.	.			trans	-62.5	110.3	-177.8	-60.5	0	0	0	0	110.4	L53 D54 A116 I184	L53-T57 HydrophobicContact CD2-CG2 4.17Å; D54-T57 PolarHBondContact N-OG1 3.22Å; D54-T57 WeakPolarHBondContact O-CB 3.22Å; D54-T57 PolarHBondContact O-N 2.92Å; D54-T57 PolarHBondContact O-OG1 3.46Å; D54-T57 VanDerWaalsContact O-OG1 3.14Å; D54-T57 PolarHBondContact OD1-N 2.77Å; D54-T57 PolarHBondContact OD1-OG1 3.4Å; T57-A116 HydrophobicContact CG2-CB 3.85Å; T57-I184 HydrophobicContact CG2-CD1 4.26Å
58	K	98.8	Very high	97.9	Very high	84 Å²	84	50.1 Å²	50.1	37%	0.365	25%	0.25	S	S	.	.			trans	-95.6	119.7	177.3	-71	179.4	177.7	-178.3	0	109.4	K56 V84 T112 A114 T115 A116	K56-K58 PolarHBondContact O-N 3.11Å; K56-K58 VanDerWaalsContact O-N 3.08Å; K58-V84 HydrophobicContact CB-CG1 4.17Å; K58-V84 HydrophobicContact CB-CG2 4.15Å; K58-V84 HydrophobicContact CD-CG1 4.42Å; K58-V84 HydrophobicContact CG-CG1 4.15Å; K58-T112 WeakPolarHBondContact CD-O 3.15Å; K58-T112 PolarHBondContact NZ-O 3.44Å; K58-A114 WeakPolarHBondContact O-CA 3.35Å; K58-T115 PolarHBondContact N-OG1 3.31Å; K58-T115 VanDerWaalsContact N-OG1 3.12Å; K58-T115 PolarHBondContact O-N 3.26Å; K58-A116 PolarHBondContact O-N 2.92Å
59	L	98.9	Very high	97.9	Very high	1 Å²	1	49 Å²	49	1%	0.005	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	136	-172.6	-179.8	66.8	0	0	0	111.7	T76 T81 K82 L83 V84 A116 V118 I184	L59-T76 HydrophobicContact CD2-CG2 3.87Å; L59-T81 HydrophobicContact CD2-CG2 4.19Å; L59-K82 PolarHBondContact N-O 3.1Å; L59-L83 HydrophobicContact CB-CD1 4.39Å; L59-L83 HydrophobicContact CD2-CD1 4.1Å; L59-L83 HydrophobicContact CG-CD1 4.03Å; L59-L83 CarbonylContact O-C 3.49Å; L59-L83 WeakPolarHBondContact O-CA 3.4Å; L59-L83 WeakPolarHBondContact O-CD1 3.47Å; L59-V84 WeakPolarHBondContact O-CG2 3.3Å; L59-V84 PolarHBondContact O-N 3.05Å; L59-A116 WeakPolarHBondContact CA-O 3.33Å; L59-A116 HydrophobicContact CD1-CB 3.95Å; L59-V118 HydrophobicContact CD1-CB 4.19Å; L59-V118 HydrophobicContact CD1-CG1 4.16Å; L59-V118 HydrophobicContact CD2-CG1 4.21Å; L59-V118 HydrophobicContact CG-CG1 4.39Å; L59-I184 HydrophobicContact CD1-CD1 4.09Å; L59-I184 HydrophobicContact CD1-CG1 4.26Å; L59-I184 HydrophobicContact CD1-CG2 3.83Å; L59-I184 HydrophobicContact CD2-CG1 4.23Å; L59-I184 HydrophobicContact CD2-CG2 4.23Å
60	I	98.9	Very high	98	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	150.8	162.1	54.5	166.7	0	0	0	111.3	V84 G85 V105 A108 A114 A116 T117 V118 I138	I60-V84 HydrophobicContact CG2-CG2 3.86Å; I60-G85 WeakPolarHBondContact CA-O 3.47Å; I60-V105 HydrophobicContact CD1-CG1 3.9Å; I60-A108 HydrophobicContact CD1-CB 3.91Å; I60-A108 HydrophobicContact CG2-CB 4.25Å; I60-A114 HydrophobicContact CB-CB 4.4Å; I60-A114 HydrophobicContact CD1-CB 4.32Å; I60-A114 HydrophobicContact CG1-CB 4.01Å; I60-A114 HydrophobicContact CG2-CB 3.67Å; I60-A116 WeakPolarHBondContact CG1-O 3.43Å; I60-A116 PolarHBondContact N-O 3.19Å; I60-T117 CarbonylContact O-C 3.58Å; I60-T117 VanDerWaalsContact O-CA 3.23Å; I60-T117 WeakPolarHBondContact O-CA 3.35Å; I60-T117 PolarHBondContact O-OG1 3.11Å; I60-V118 PolarHBondContact O-N 3.18Å; I60-I138 HydrophobicContact CD1-CD1 4.21Å
61	C	98.9	Very high	98.1	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	120.5	178.2	-175.3	0	0	0	0	111	F64 L83 G85 G86 V87 V118	C61-F64 HydrophobicContact CB-CB 4.15Å; C61-F64 HydrophobicContact CB-CD2 3.69Å; C61-F64 HydrophobicContact CB-CE2 4.46Å; C61-F64 HydrophobicContact CB-CG 4.15Å; C61-F64 WeakPolarHBondContact O-CB 3.12Å; C61-L83 HydrophobicContact CB-CD1 4.13Å; C61-G85 PolarHBondContact N-O 3.26Å; C61-G85 VanDerWaalsContact N-O 3.11Å; C61-G86 CarbonylContact O-C 3.5Å; C61-G86 WeakPolarHBondContact O-CA 3.32Å; C61-V87 PolarHBondContact O-N 3.49Å; C61-V118 CarbonylContact C-O 3.53Å; C61-V118 HydrophobicContact CB-CG1 4.12Å
62	Q	98.9	Very high	98.1	Very high	4 Å²	4	47.3 Å²	47.3	2%	0.019	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	129.6	169.7	-70.9	179.9	74.7	0	0	110.1	V87 V105 T117 V118 I119 Y120 V121 A129	Q62-V87 HydrophobicContact CG-CB 4.19Å; Q62-V87 HydrophobicContact CG-CG2 4.34Å; Q62-V105 VanDerWaalsContact CD-CG2 3.41Å; Q62-V105 HydrophobicContact CG-CG2 3.81Å; Q62-T117 PolarHBondContact NE2-OG1 3.43Å; Q62-V118 PolarHBondContact N-O 3.36Å; Q62-I119 HydrophobicContact CB-CG1 4.07Å; Q62-I119 HydrophobicContact CG-CG1 4.48Å; Q62-Y120 PolarHBondContact O-N 2.89Å; Q62-V121 HydrophobicContact CB-CG2 4.26Å; Q62-A129 PolarHBondContact OE1-O 2.88Å; Q62-A129 VanDerWaalsContact OE1-O 3.06Å
63	G	98.5	Very high	98.2	Very high	20 Å²	20	43.9 Å²	43.9	21%	0.206	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.7	28	-164.4	0	0	0	0	0	112.3	T65 G66 V87	G63-T65 VanDerWaalsContact C-N 3.35Å; G63-T65 PolarHBondContact O-N 3.43Å; G63-G66 PolarHBondContact O-N 3.38Å; G63-V87 PolarHBondContact N-O 2.86Å
64	F	98.8	Very high	98.3	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-43.8	-169.2	-172	-152.7	0	0	0	114.5	C61 G66 G69 T70 S73 L83 G86 V87 S88 H96 L97 L99 V101	C61-F64 HydrophobicContact CB-CB 4.15Å; C61-F64 HydrophobicContact CB-CD2 3.69Å; C61-F64 HydrophobicContact CB-CE2 4.46Å; C61-F64 HydrophobicContact CB-CG 4.15Å; C61-F64 WeakPolarHBondContact O-CB 3.12Å; F64-G66 VanDerWaalsContact C-N 3.31Å; F64-G69 CarbonylContact O-C 3.44Å; F64-T70 PolarHBondContact O-N 3.42Å; F64-T70 PolarHBondContact O-OG1 3.01Å; F64-S73 WeakPolarHBondContact CE2-OG 3.36Å; F64-L83 HydrophobicContact CE2-CD2 4.07Å; F64-G86 VanDerWaalsContact CD1-CA 3.5Å; F64-V87 PolarHBondContact N-O 3.43Å; F64-S88 PolarHBondContact N-OG 2.95Å; F64-H96 HydrophobicContact CD1-CB 4.15Å; F64-H96 AromaticContact CD2-CD2 3.98Å; F64-H96 HydrophobicContact CE1-CB 3.77Å; F64-H96 AromaticContact CE2-CD2 3.9Å; F64-H96 HydrophobicContact CZ-CB 4.21Å; F64-H96 AromaticContact CZ-CD2 3.94Å; F64-H96 WeakPolarHBondContact CZ-O 3.33Å; F64-H96 PolarHBondContact O-CD2 3.04Å; F64-L97 HydrophobicContact CE2-CD1 4.04Å; F64-L97 HydrophobicContact CZ-CB 4.44Å; F64-L97 HydrophobicContact CZ-CD1 4.43Å; F64-L99 HydrophobicContact CE1-CB 4.26Å; F64-L99 HydrophobicContact CZ-CB 4.12Å; F64-L99 HydrophobicContact CZ-CD1 4.27Å; F64-V101 HydrophobicContact CD1-CG2 4.02Å; F64-V101 HydrophobicContact CE1-CG2 4.23Å
65	T	98.6	Very high	98.4	Very high	33 Å²	33	48.8 Å²	48.8	20%	0.202	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	0.5	-177.7	62.7	0	0	0	0	113.4	G63 S88 K91 H96 V101	G63-T65 VanDerWaalsContact C-N 3.35Å; G63-T65 PolarHBondContact O-N 3.43Å; T65-S88 PolarHBondContact N-OG 3.16Å; T65-S88 WeakPolarHBondContact OG1-CB 3.39Å; T65-S88 PolarHBondContact OG1-OG 3Å; T65-K91 HydrophobicContact CG2-CD 4.02Å; T65-K91 WeakPolarHBondContact OG1-CD 3.3Å; T65-K91 PolarHBondContact OG1-NZ 2.68Å; T65-H96 HydrophobicContact CG2-CB 4Å; T65-V101 HydrophobicContact CG2-CG1 4.41Å; T65-V101 HydrophobicContact CG2-CG2 4.22Å
66	G	98.1	Very high	98.5	Very high	34 Å²	34	44.5 Å²	44.5	35%	0.351	22%	0.22	S	C	.	.	S	Bend	trans	-72.3	164.8	172.3	0	0	0	0	0	111.7	G63 F64 Q68 G69 T70	G63-G66 PolarHBondContact O-N 3.38Å; F64-G66 VanDerWaalsContact C-N 3.31Å; G66-Q68 PolarHBondContact O-N 3.17Å; G66-G69 PolarHBondContact O-N 3.35Å; G66-T70 VanDerWaalsContact O-CB 3.31Å; G66-T70 WeakPolarHBondContact O-CB 3.45Å; G66-T70 PolarHBondContact O-N 3.46Å; G66-T70 PolarHBondContact O-OG1 3.44Å
67	K	98.3	Very high	98.5	Very high	179 Å²	179	40.6 Å²	40.6	78%	0.778	21%	0.206	S	C	*	.	H	α-helix	trans	-55	-51.5	-178.5	-178.2	178.1	178	178.6	0	112.6	F71	K67-F71 WeakPolarHBondContact O-CB 3.25Å; K67-F71 PolarHBondContact O-N 3.16Å; K67-F71 VanDerWaalsContact O-N 3.1Å
68	Q	98.4	Very high	98.5	Very high	96 Å²	96	44.5 Å²	44.5	45%	0.449	24%	0.24	S	C	.	.	H	α-helix	trans	-72.2	-41.6	-178.8	-61.5	-58.1	-20.6	0	0	112.2	G66 T70 F71 H72 Y120	G66-Q68 PolarHBondContact O-N 3.17Å; Q68-T70 VanDerWaalsContact C-N 3.31Å; Q68-T70 PolarHBondContact O-N 3.35Å; Q68-F71 PolarHBondContact O-N 3.48Å; Q68-H72 PolarHBondContact O-CD2 3.04Å; Q68-H72 PolarHBondContact O-N 2.93Å; Q68-Y120 HydrophobicContact CB-CD1 4.25Å
69	G	98.6	Very high	98.4	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.01	23%	0.232	C	C	.	.	H	α-helix	trans	-55.8	-46.7	173.9	0	0	0	0	0	111.7	F64 G66 S73	F64-G69 CarbonylContact O-C 3.44Å; G66-G69 PolarHBondContact O-N 3.35Å; G69-S73 WeakPolarHBondContact O-CB 3.44Å; G69-S73 PolarHBondContact O-N 3.24Å; G69-S73 PolarHBondContact O-OG 3.48Å
70	T	98.7	Very high	98.4	Very high	28 Å²	28	45.5 Å²	45.5	17%	0.172	26%	0.259	C	S	.	.	H	α-helix	trans	-61.5	-53.8	177.4	-57.5	0	0	0	0	111.9	F64 G66 Q68 H72 S73 Q74 H96 L97	F64-T70 PolarHBondContact O-N 3.42Å; F64-T70 PolarHBondContact O-OG1 3.01Å; G66-T70 VanDerWaalsContact O-CB 3.31Å; G66-T70 WeakPolarHBondContact O-CB 3.45Å; G66-T70 PolarHBondContact O-N 3.46Å; G66-T70 PolarHBondContact O-OG1 3.44Å; Q68-T70 VanDerWaalsContact C-N 3.31Å; Q68-T70 PolarHBondContact O-N 3.35Å; T70-H72 PolarHBondContact O-N 3.38Å; T70-S73 PolarHBondContact O-N 3.36Å; T70-Q74 WeakPolarHBondContact O-CG 3.45Å; T70-Q74 PolarHBondContact O-N 3.08Å; T70-H96 WeakPolarHBondContact CG2-NE2 3.28Å; T70-H96 PolarHBondContact OG1-CE1 3.4Å; T70-H96 PolarHBondContact OG1-NE2 2.83Å; T70-L97 HydrophobicContact CG2-CD2 4.24Å
71	F	98.6	Very high	98.3	Very high	100 Å²	100	45.7 Å²	45.7	44%	0.439	26%	0.26	S	S	.	.	H	α-helix	trans	-60	-47.5	-175.5	176	-105.7	0	0	0	112.1	K67 Q68 Q74 Q75	K67-F71 WeakPolarHBondContact O-CB 3.25Å; K67-F71 PolarHBondContact O-N 3.16Å; K67-F71 VanDerWaalsContact O-N 3.1Å; Q68-F71 PolarHBondContact O-N 3.48Å; F71-Q74 PolarHBondContact O-N 3.17Å; F71-Q75 PolarHBondContact O-N 2.97Å
72	H	98.7	Very high	98.3	Very high	19 Å²	19	50.6 Å²	50.6	9%	0.088	28%	0.281	C	S	.	.	H	α-helix	trans	-75.5	-31.8	179.9	-71.8	-64.4	0	0	0	112.7	Q68 T70 Q74 Q75 T76 Y120 I186	Q68-H72 PolarHBondContact O-CD2 3.04Å; Q68-H72 PolarHBondContact O-N 2.93Å; T70-H72 PolarHBondContact O-N 3.38Å; H72-Q74 VanDerWaalsContact C-N 3.33Å; H72-Q74 PolarHBondContact O-N 3.26Å; H72-Q75 PolarHBondContact O-N 3.19Å; H72-T76 WeakPolarHBondContact O-CB 3.33Å; H72-T76 PolarHBondContact O-N 3.25Å; H72-T76 PolarHBondContact O-OG1 3.43Å; H72-T76 VanDerWaalsContact O-OG1 3.07Å; H72-Y120 HydrophobicContact CB-CE1 4.05Å; H72-Y120 HydrophobicContact CB-CE2 4.01Å; H72-Y120 VanDerWaalsContact CB-OH 3.28Å; H72-Y120 WeakPolarHBondContact CB-OH 3.48Å; H72-Y120 AromaticContact CD2-CE1 3.62Å; H72-Y120 AromaticContact CG-CE1 3.98Å; H72-Y120 AromaticContact CG-CZ 3.93Å; H72-I186 VanDerWaalsContact CE1-CG2 3.41Å; H72-I186 WeakPolarHBondContact CE1-CG2 3.49Å; H72-I186 VanDerWaalsContact NE2-CG2 3.34Å; H72-I186 WeakPolarHBondContact NE2-CG2 3.46Å
73	S	98.7	Very high	98.3	Very high	2 Å²	2	50.8 Å²	50.8	1%	0.014	28%	0.282	C	S	.	.	H	α-helix	trans	-62.9	-37.7	172.1	-76.5	0	0	0	0	112.7	F64 G69 T70 T76 L77	F64-S73 WeakPolarHBondContact CE2-OG 3.36Å; G69-S73 WeakPolarHBondContact O-CB 3.44Å; G69-S73 PolarHBondContact O-N 3.24Å; G69-S73 PolarHBondContact O-OG 3.48Å; T70-S73 PolarHBondContact O-N 3.36Å; S73-T76 PolarHBondContact O-N 3.33Å; S73-L77 WeakPolarHBondContact O-CB 3.18Å; S73-L77 WeakPolarHBondContact O-CG 2.97Å; S73-L77 PolarHBondContact O-N 2.97Å
74	Q	98.4	Very high	98.3	Very high	100 Å²	100	51.4 Å²	51.4	47%	0.467	28%	0.282	S	S	.	.	H	α-helix	trans	-60.1	-45.2	172.7	-74.2	173.6	-28.1	0	0	111.6	T70 F71 H72 L77 A78 L97	T70-Q74 WeakPolarHBondContact O-CG 3.45Å; T70-Q74 PolarHBondContact O-N 3.08Å; F71-Q74 PolarHBondContact O-N 3.17Å; H72-Q74 VanDerWaalsContact C-N 3.33Å; H72-Q74 PolarHBondContact O-N 3.26Å; Q74-L77 PolarHBondContact O-N 2.93Å; Q74-A78 WeakPolarHBondContact O-CB 3.38Å; Q74-A78 PolarHBondContact O-N 3.45Å; Q74-L97 HydrophobicContact CG-CD1 3.77Å; Q74-L97 HydrophobicContact CG-CD2 3.6Å; Q74-L97 HydrophobicContact CG-CG 4.34Å
75	Q	97.7	Very high	98.3	Very high	70 Å²	70	51.4 Å²	51.4	33%	0.327	28%	0.282	S	S	.	.	H	α-helix	trans	-69	-37.6	177.7	-65.6	-171.1	25.7	0	0	113	F71 H72 L77 A78 Y79	F71-Q75 PolarHBondContact O-N 2.97Å; H72-Q75 PolarHBondContact O-N 3.19Å; Q75-L77 VanDerWaalsContact C-N 3.33Å; Q75-A78 PolarHBondContact O-N 3.09Å; Q75-Y79 WeakPolarHBondContact O-CB 3.42Å; Q75-Y79 PolarHBondContact O-N 2.98Å
76	T	98.2	Very high	98.3	Very high	4 Å²	4	49.8 Å²	49.8	3%	0.025	27%	0.273	C	S	.	.	H	α-helix	trans	-60.5	-43	174.5	-72.5	0	0	0	0	111	L59 H72 S73 Y79 G80 T81 L83	L59-T76 HydrophobicContact CD2-CG2 3.87Å; H72-T76 WeakPolarHBondContact O-CB 3.33Å; H72-T76 PolarHBondContact O-N 3.25Å; H72-T76 PolarHBondContact O-OG1 3.43Å; H72-T76 VanDerWaalsContact O-OG1 3.07Å; S73-T76 PolarHBondContact O-N 3.33Å; T76-Y79 PolarHBondContact O-N 3.31Å; T76-G80 PolarHBondContact O-N 3.34Å; T76-T81 HydrophobicContact CG2-CG2 3.66Å; T76-T81 WeakPolarHBondContact O-CB 3.42Å; T76-T81 PolarHBondContact O-N 3.28Å; T76-T81 VanDerWaalsContact O-N 3.1Å; T76-L83 HydrophobicContact CG2-CB 4.22Å
77	L	98	Very high	98.3	Very high	66 Å²	66	48.4 Å²	48.4	35%	0.346	26%	0.257	S	S	.	.	H	α-helix	trans	-64.8	-46.8	173.3	-75.6	169.1	0	0	0	111.8	S73 Q74 Q75 Y79 G80 L83 L97 L99	S73-L77 WeakPolarHBondContact O-CB 3.18Å; S73-L77 WeakPolarHBondContact O-CG 2.97Å; S73-L77 PolarHBondContact O-N 2.97Å; Q74-L77 PolarHBondContact O-N 2.93Å; Q75-L77 VanDerWaalsContact C-N 3.33Å; L77-Y79 PolarHBondContact O-N 2.93Å; L77-G80 PolarHBondContact O-N 2.85Å; L77-L83 HydrophobicContact CD1-CD2 4.16Å; L77-L83 HydrophobicContact CD2-CB 3.93Å; L77-L83 HydrophobicContact CD2-CD2 4.4Å; L77-L83 HydrophobicContact CG-CB 4.27Å; L77-L83 HydrophobicContact CG-CD2 3.97Å; L77-L97 HydrophobicContact CD1-CB 4.25Å; L77-L97 HydrophobicContact CD1-CD1 4.43Å; L77-L99 HydrophobicContact CD1-CD1 4.21Å; L77-L99 HydrophobicContact CD2-CD1 4.25Å
78	A	97.7	Very high	98.3	Very high	93 Å²	93	40.3 Å²	40.3	77%	0.769	22%	0.223	S	C	*	.	H	α-helix	trans	-61.7	-28.9	178.7	0	0	0	0	0	113.1	Q74 Q75 G80	Q74-A78 WeakPolarHBondContact O-CB 3.38Å; Q74-A78 PolarHBondContact O-N 3.45Å; Q75-A78 PolarHBondContact O-N 3.09Å; A78-G80 VanDerWaalsContact C-N 3.3Å
79	Y	97.4	Very high	98.3	Very high	50 Å²	50	40.7 Å²	40.7	20%	0.196	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-13.7	174.5	-169.5	-114.2	0	0	0	113.7	Q75 T76 L77 I177 D180 K183 A189	Q75-Y79 WeakPolarHBondContact O-CB 3.42Å; Q75-Y79 PolarHBondContact O-N 2.98Å; T76-Y79 PolarHBondContact O-N 3.31Å; L77-Y79 PolarHBondContact O-N 2.93Å; Y79-I177 HydrophobicContact CE1-CD1 4.19Å; Y79-I177 HydrophobicContact CE1-CG1 4.5Å; Y79-D180 PolarHBondContact OH-N 3.35Å; Y79-K183 HydrophobicContact CD1-CB 3.34Å; Y79-K183 HydrophobicContact CD1-CD 4.17Å; Y79-K183 HydrophobicContact CD1-CG 4.36Å; Y79-K183 HydrophobicContact CE1-CB 3.57Å; Y79-K183 HydrophobicContact CG-CB 4.24Å; Y79-K183 HydrophobicContact CG-CD 4.29Å; Y79-A189 HydrophobicContact CD1-CB 4.47Å; Y79-A189 HydrophobicContact CD2-CB 3.29Å; Y79-A189 HydrophobicContact CE1-CB 4.47Å; Y79-A189 HydrophobicContact CE2-CB 3.32Å; Y79-A189 HydrophobicContact CG-CB 3.9Å
80	G	97.3	Very high	98.2	Very high	56 Å²	56	44.1 Å²	44.1	58%	0.577	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.1	10.2	-178.5	0	0	0	0	0	114.9	T76 L77 A78	T76-G80 PolarHBondContact O-N 3.34Å; L77-G80 PolarHBondContact O-N 2.85Å; A78-G80 VanDerWaalsContact C-N 3.3Å
81	T	98	Very high	98.1	Very high	5 Å²	5	47.7 Å²	47.7	3%	0.031	28%	0.282	C	S	.	.			trans	-69.9	138.5	173.4	-61.3	0	0	0	0	110.6	L59 T76 L83 K183	L59-T81 HydrophobicContact CD2-CG2 4.19Å; T76-T81 HydrophobicContact CG2-CG2 3.66Å; T76-T81 WeakPolarHBondContact O-CB 3.42Å; T76-T81 PolarHBondContact O-N 3.28Å; T76-T81 VanDerWaalsContact O-N 3.1Å; T81-L83 PolarHBondContact O-N 3.12Å; T81-K183 PolarHBondContact OG1-N 2.97Å; T81-K183 PolarHBondContact OG1-O 2.79Å
82	K	98.4	Very high	98.1	Very high	102 Å²	102	44.3 Å²	44.3	44%	0.443	28%	0.276	S	S	.	.			trans	-74	69.6	-179.2	-63.9	-179.5	-179	170.4	0	112.2	D55 L59 V84	D55-K82 VanDerWaalsContact O-CD 3.24Å; D55-K82 WeakPolarHBondContact O-CD 3.45Å; D55-K82 WeakPolarHBondContact O-CE 3.49Å; D55-K82 PolarHBondContact O-NZ 3.46Å; L59-K82 PolarHBondContact N-O 3.1Å; K82-V84 PolarHBondContact O-N 3.49Å
83	L	98.8	Very high	98	Very high	8 Å²	8	47.3 Å²	47.3	4%	0.042	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	118	168.5	-177.4	73	0	0	0	109.1	L59 C61 F64 T76 L77 T81 L99	L59-L83 HydrophobicContact CB-CD1 4.39Å; L59-L83 HydrophobicContact CD2-CD1 4.1Å; L59-L83 HydrophobicContact CG-CD1 4.03Å; L59-L83 CarbonylContact O-C 3.49Å; L59-L83 WeakPolarHBondContact O-CA 3.4Å; L59-L83 WeakPolarHBondContact O-CD1 3.47Å; C61-L83 HydrophobicContact CB-CD1 4.13Å; F64-L83 HydrophobicContact CE2-CD2 4.07Å; T76-L83 HydrophobicContact CG2-CB 4.22Å; L77-L83 HydrophobicContact CD1-CD2 4.16Å; L77-L83 HydrophobicContact CD2-CB 3.93Å; L77-L83 HydrophobicContact CD2-CD2 4.4Å; L77-L83 HydrophobicContact CG-CB 4.27Å; L77-L83 HydrophobicContact CG-CD2 3.97Å; T81-L83 PolarHBondContact O-N 3.12Å; L83-L99 HydrophobicContact CB-CD1 4.22Å; L83-L99 HydrophobicContact CD2-CD1 3.73Å; L83-L99 HydrophobicContact CG-CD1 3.71Å; L83-L99 WeakPolarHBondContact O-CD1 3.3Å
84	V	98.8	Very high	98	Very high	33 Å²	33	49.8 Å²	49.8	20%	0.2	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	-1	-171.1	-65.3	0	0	0	0	114.1	K58 L59 I60 K82 T112 A114	K58-V84 HydrophobicContact CB-CG1 4.17Å; K58-V84 HydrophobicContact CB-CG2 4.15Å; K58-V84 HydrophobicContact CD-CG1 4.42Å; K58-V84 HydrophobicContact CG-CG1 4.15Å; L59-V84 WeakPolarHBondContact O-CG2 3.3Å; L59-V84 PolarHBondContact O-N 3.05Å; I60-V84 HydrophobicContact CG2-CG2 3.86Å; K82-V84 PolarHBondContact O-N 3.49Å; V84-T112 HydrophobicContact CB-CG2 4.24Å; V84-T112 HydrophobicContact CG2-CG2 4.05Å; V84-A114 HydrophobicContact CG2-CB 4.41Å
85	G	98.8	Very high	98	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	155.4	-166.6	178.9	0	0	0	0	0	112.2	I60 C61 P100	I60-G85 WeakPolarHBondContact CA-O 3.47Å; C61-G85 PolarHBondContact N-O 3.26Å; C61-G85 VanDerWaalsContact N-O 3.11Å; G85-P100 VanDerWaalsContact CA-O 3.28Å; G85-P100 WeakPolarHBondContact CA-O 3.23Å
86	G	98.8	Very high	98.1	Very high	0 Å²	0	48 Å²	48	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.9	170.6	173.4	0	0	0	0	0	114.5	C61 F64 P100 V101 F102	C61-G86 CarbonylContact O-C 3.5Å; C61-G86 WeakPolarHBondContact O-CA 3.32Å; F64-G86 VanDerWaalsContact CD1-CA 3.5Å; G86-P100 PolarHBondContact N-O 2.87Å; G86-P100 VanDerWaalsContact N-O 3.12Å; G86-V101 CarbonylContact O-C 3.56Å; G86-V101 WeakPolarHBondContact O-CA 3.48Å; G86-F102 PolarHBondContact O-N 3.3Å
87	V	98.9	Very high	98.1	Very high	4 Å²	4	50.4 Å²	50.4	2%	0.024	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	129.7	-174	-177	0	0	0	0	109.3	C61 Q62 G63 F64 F102 V105 A108	C61-V87 PolarHBondContact O-N 3.49Å; Q62-V87 HydrophobicContact CG-CB 4.19Å; Q62-V87 HydrophobicContact CG-CG2 4.34Å; G63-V87 PolarHBondContact N-O 2.86Å; F64-V87 PolarHBondContact N-O 3.43Å; V87-F102 WeakPolarHBondContact CA-O 3.44Å; V87-V105 HydrophobicContact CG2-CG2 4.03Å; V87-A108 HydrophobicContact CG2-CB 3.95Å
88	S	98.3	Very high	98.1	Very high	9 Å²	9	50.8 Å²	50.8	6%	0.063	36%	0.364	C	S	.	.			trans	-150.3	98.5	171.1	-70.3	0	0	0	0	107.6	F64 T65 G90 K91 F102	F64-S88 PolarHBondContact N-OG 2.95Å; T65-S88 PolarHBondContact N-OG 3.16Å; T65-S88 WeakPolarHBondContact OG1-CB 3.39Å; T65-S88 PolarHBondContact OG1-OG 3Å; S88-G90 PolarHBondContact O-N 2.77Å; S88-K91 WeakPolarHBondContact O-CB 3.33Å; S88-K91 PolarHBondContact O-N 2.96Å; S88-F102 PolarHBondContact N-O 3.1Å
89	P	96.6	Very high	98.1	Very high	105 Å²	105	48 Å²	48	68%	0.682	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	133.7	-176.3	-29.1	36	0	0	0	112.4	K91	P89-K91 VanDerWaalsContact C-N 3.32Å
90	G	97.2	Very high	98.2	Very high	73 Å²	73	48.3 Å²	48.3	75%	0.753	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.7	-0.4	-175.7	0	0	0	0	0	114.7	S88 N103	S88-G90 PolarHBondContact O-N 2.77Å; G90-N103 WeakPolarHBondContact CA-OD1 3.48Å; G90-N103 PolarHBondContact N-OD1 2.87Å
91	K	97.8	Very high	98.3	Very high	102 Å²	102	45.7 Å²	45.7	44%	0.443	32%	0.317	S	S	.	.			trans	-120.7	10.9	177.1	-55.6	-174.3	-176	177.9	0	113.4	T65 S88 P89 G93 S94 V101 N103	T65-K91 HydrophobicContact CG2-CD 4.02Å; T65-K91 WeakPolarHBondContact OG1-CD 3.3Å; T65-K91 PolarHBondContact OG1-NZ 2.68Å; S88-K91 WeakPolarHBondContact O-CB 3.33Å; S88-K91 PolarHBondContact O-N 2.96Å; P89-K91 VanDerWaalsContact C-N 3.32Å; K91-G93 PolarHBondContact O-N 2.93Å; K91-S94 WeakPolarHBondContact O-CB 3.45Å; K91-S94 PolarHBondContact O-N 3.13Å; K91-S94 PolarHBondContact O-OG 3.1Å; K91-V101 HydrophobicContact CB-CG1 3.9Å; K91-V101 WeakPolarHBondContact O-CG1 3.3Å; K91-N103 PolarHBondContact N-OD1 2.81Å
92	G	97.5	Very high	98.3	Very high	30 Å²	30	46.9 Å²	46.9	31%	0.309	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	136.7	176	0	0	0	0	0	112.1	V101 N103	G92-V101 CarbonylContact C-O 3.58Å; G92-V101 WeakPolarHBondContact CA-O 3.03Å; G92-N103 PolarHBondContact N-OD1 2.75Å
93	G	97.5	Very high	98.3	Very high	82 Å²	82	45 Å²	45	85%	0.845	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.2	-8.5	-176.6	0	0	0	0	0	114.7	K91 V101	K91-G93 PolarHBondContact O-N 2.93Å; G93-V101 PolarHBondContact N-O 2.92Å
94	S	98.4	Very high	98.3	Very high	53 Å²	53	46 Å²	46	37%	0.371	32%	0.324	S	S	.	.			trans	-84.6	177.1	170.9	83.8	0	0	0	0	112	K91 V101	K91-S94 WeakPolarHBondContact O-CB 3.45Å; K91-S94 PolarHBondContact O-N 3.13Å; K91-S94 PolarHBondContact O-OG 3.1Å; S94-V101 PolarHBondContact O-N 3.49Å
95	S	98.3	Very high	98.3	Very high	91 Å²	91	44.4 Å²	44.4	64%	0.636	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.9	151.8	169.9	64.8	0	0	0	0	111.7	L99	S95-L99 CarbonylContact C-O 3.56Å; S95-L99 VanDerWaalsContact CA-O 3.28Å; S95-L99 WeakPolarHBondContact CA-O 3.45Å
96	H	98.7	Very high	98.3	Very high	43 Å²	43	48 Å²	48	20%	0.199	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	133	172.3	-174	55.8	0	0	0	109.3	F64 T65 T70 G98 L99 V101	F64-H96 HydrophobicContact CD1-CB 4.15Å; F64-H96 AromaticContact CD2-CD2 3.98Å; F64-H96 HydrophobicContact CE1-CB 3.77Å; F64-H96 AromaticContact CE2-CD2 3.9Å; F64-H96 HydrophobicContact CZ-CB 4.21Å; F64-H96 AromaticContact CZ-CD2 3.94Å; F64-H96 WeakPolarHBondContact CZ-O 3.33Å; F64-H96 PolarHBondContact O-CD2 3.04Å; T65-H96 HydrophobicContact CG2-CB 4Å; T70-H96 WeakPolarHBondContact CG2-NE2 3.28Å; T70-H96 PolarHBondContact OG1-CE1 3.4Å; T70-H96 PolarHBondContact OG1-NE2 2.83Å; H96-G98 PolarHBondContact O-N 3.08Å; H96-G98 VanDerWaalsContact O-N 3.15Å; H96-L99 PolarHBondContact N-O 3.13Å; H96-L99 PolarHBondContact O-N 2.85Å; H96-V101 HydrophobicContact CB-CG2 3.73Å
97	L	98.4	Very high	98.3	Very high	53 Å²	53	52 Å²	52	28%	0.277	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.6	30.4	-171.5	-52.4	179.1	0	0	0	113.6	F64 T70 Q74 L77 L99	F64-L97 HydrophobicContact CE2-CD1 4.04Å; F64-L97 HydrophobicContact CZ-CB 4.44Å; F64-L97 HydrophobicContact CZ-CD1 4.43Å; T70-L97 HydrophobicContact CG2-CD2 4.24Å; Q74-L97 HydrophobicContact CG-CD1 3.77Å; Q74-L97 HydrophobicContact CG-CD2 3.6Å; Q74-L97 HydrophobicContact CG-CG 4.34Å; L77-L97 HydrophobicContact CD1-CB 4.25Å; L77-L97 HydrophobicContact CD1-CD1 4.43Å; L97-L99 VanDerWaalsContact C-N 3.25Å; L97-L99 PolarHBondContact O-N 3.46Å
98	G	98	Very high	98.3	Very high	75 Å²	75	51.8 Å²	51.8	77%	0.773	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.5	7.7	-175.8	0	0	0	0	0	115.2	H96	H96-G98 PolarHBondContact O-N 3.08Å; H96-G98 VanDerWaalsContact O-N 3.15Å
99	L	98.7	Very high	98.3	Very high	33 Å²	33	54.2 Å²	54.2	17%	0.173	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	154.9	-178.2	-63.5	176.6	0	0	0	111.9	F64 L77 L83 S95 H96 L97	F64-L99 HydrophobicContact CE1-CB 4.26Å; F64-L99 HydrophobicContact CZ-CB 4.12Å; F64-L99 HydrophobicContact CZ-CD1 4.27Å; L77-L99 HydrophobicContact CD1-CD1 4.21Å; L77-L99 HydrophobicContact CD2-CD1 4.25Å; L83-L99 HydrophobicContact CB-CD1 4.22Å; L83-L99 HydrophobicContact CD2-CD1 3.73Å; L83-L99 HydrophobicContact CG-CD1 3.71Å; L83-L99 WeakPolarHBondContact O-CD1 3.3Å; S95-L99 CarbonylContact C-O 3.56Å; S95-L99 VanDerWaalsContact CA-O 3.28Å; S95-L99 WeakPolarHBondContact CA-O 3.45Å; H96-L99 PolarHBondContact N-O 3.13Å; H96-L99 PolarHBondContact O-N 2.85Å; L97-L99 VanDerWaalsContact C-N 3.25Å; L97-L99 PolarHBondContact O-N 3.46Å
100	P	98.7	Very high	98.4	Very high	57 Å²	57	57.1 Å²	57.1	37%	0.37	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	142.4	-179.2	28.1	-35.3	0	0	0	112.4	G85 G86 F102	G85-P100 VanDerWaalsContact CA-O 3.28Å; G85-P100 WeakPolarHBondContact CA-O 3.23Å; G86-P100 PolarHBondContact N-O 2.87Å; G86-P100 VanDerWaalsContact N-O 3.12Å; P100-F102 HydrophobicContact CB-CE1 4.49Å; P100-F102 HydrophobicContact CB-CE2 3.84Å; P100-F102 HydrophobicContact CB-CZ 3.74Å; P100-F102 HydrophobicContact CG-CE2 3.72Å; P100-F102 HydrophobicContact CG-CZ 3.74Å
101	V	98.9	Very high	98.5	Very high	2 Å²	2	57 Å²	57	1%	0.012	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	135.1	171	-173.2	0	0	0	0	109.1	F64 T65 G86 K91 G92 G93 S94 H96	F64-V101 HydrophobicContact CD1-CG2 4.02Å; F64-V101 HydrophobicContact CE1-CG2 4.23Å; T65-V101 HydrophobicContact CG2-CG1 4.41Å; T65-V101 HydrophobicContact CG2-CG2 4.22Å; G86-V101 CarbonylContact O-C 3.56Å; G86-V101 WeakPolarHBondContact O-CA 3.48Å; K91-V101 HydrophobicContact CB-CG1 3.9Å; K91-V101 WeakPolarHBondContact O-CG1 3.3Å; G92-V101 CarbonylContact C-O 3.58Å; G92-V101 WeakPolarHBondContact CA-O 3.03Å; G93-V101 PolarHBondContact N-O 2.92Å; S94-V101 PolarHBondContact O-N 3.49Å; H96-V101 HydrophobicContact CB-CG2 3.73Å
102	F	98.9	Very high	98.5	Very high	29 Å²	29	53.3 Å²	53.3	13%	0.127	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	158	-179.4	-56.5	-85.7	0	0	0	111.1	G86 V87 S88 P100 E107 A108 A111 T112	G86-F102 PolarHBondContact O-N 3.3Å; V87-F102 WeakPolarHBondContact CA-O 3.44Å; S88-F102 PolarHBondContact N-O 3.1Å; P100-F102 HydrophobicContact CB-CE1 4.49Å; P100-F102 HydrophobicContact CB-CE2 3.84Å; P100-F102 HydrophobicContact CB-CZ 3.74Å; P100-F102 HydrophobicContact CG-CE2 3.72Å; P100-F102 HydrophobicContact CG-CZ 3.74Å; F102-E107 HydrophobicContact CB-CB 4.21Å; F102-E107 HydrophobicContact CD1-CB 4.1Å; F102-A108 HydrophobicContact CB-CB 3.9Å; F102-A108 HydrophobicContact CD1-CB 4.46Å; F102-A108 HydrophobicContact CD2-CB 3.39Å; F102-A108 HydrophobicContact CE2-CB 3.98Å; F102-A108 HydrophobicContact CG-CB 3.67Å; F102-A111 HydrophobicContact CE1-CB 3.53Å; F102-A111 HydrophobicContact CZ-CB 3.74Å; F102-T112 HydrophobicContact CE2-CG2 3.91Å; F102-T112 HydrophobicContact CZ-CG2 3.84Å
103	N	98.6	Very high	98.5	Very high	64 Å²	64	53.7 Å²	53.7	34%	0.342	35%	0.347	S	S	.	.	S	Bend	trans	-81.3	-30.7	176.3	-75.1	-52.3	0	0	0	112.2	G90 K91 G92 E107	G90-N103 WeakPolarHBondContact CA-OD1 3.48Å; G90-N103 PolarHBondContact N-OD1 2.87Å; K91-N103 PolarHBondContact N-OD1 2.81Å; G92-N103 PolarHBondContact N-OD1 2.75Å; N103-E107 WeakPolarHBondContact CB-OE2 3.05Å; N103-E107 PolarHBondContact N-OE2 3.37Å
104	S	98.7	Very high	98.6	Very high	28 Å²	28	50 Å²	50	20%	0.196	31%	0.308	C	S	.	.	S	Bend	trans	-133.5	161.2	-179.6	68.6	0	0	0	0	113.2	N106 E107 A108 E132	S104-N106 VanDerWaalsContact C-N 3.3Å; S104-E107 PolarHBondContact N-OE2 2.83Å; S104-E107 VanDerWaalsContact OG-CG 3.31Å; S104-E107 WeakPolarHBondContact OG-CG 3.23Å; S104-E107 PolarHBondContact OG-N 2.93Å; S104-A108 PolarHBondContact O-N 3.41Å; S104-E132 WeakPolarHBondContact CA-OE1 3.42Å; S104-E132 WeakPolarHBondContact CB-OE1 3.28Å
105	V	98.8	Very high	98.6	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-64.8	-35.2	173.6	-179.8	0	0	0	0	111.5	I60 Q62 V87 A108 K109 E132 A133 A136 I138	I60-V105 HydrophobicContact CD1-CG1 3.9Å; Q62-V105 VanDerWaalsContact CD-CG2 3.41Å; Q62-V105 HydrophobicContact CG-CG2 3.81Å; V87-V105 HydrophobicContact CG2-CG2 4.03Å; V105-A108 PolarHBondContact O-N 3.45Å; V105-K109 WeakPolarHBondContact O-CB 3.24Å; V105-K109 PolarHBondContact O-N 3.15Å; V105-E132 HydrophobicContact CB-CG 4.03Å; V105-E132 HydrophobicContact CG2-CB 4.37Å; V105-E132 HydrophobicContact CG2-CG 3.83Å; V105-E132 PolarHBondContact N-OE1 2.67Å; V105-A133 HydrophobicContact CG1-CB 4.41Å; V105-A136 HydrophobicContact CB-CB 4.08Å; V105-A136 HydrophobicContact CG1-CB 3.57Å; V105-I138 HydrophobicContact CG1-CD1 3.96Å; V105-I138 HydrophobicContact CG1-CG1 3.58Å
106	N	98.6	Very high	98.6	Very high	75 Å²	75	45.8 Å²	45.8	40%	0.401	28%	0.276	S	S	.	.	H	α-helix	trans	-60	-53.2	176.3	-82.5	-22.1	0	0	0	111.6	S104 A108 K109 E110 A136	S104-N106 VanDerWaalsContact C-N 3.3Å; N106-A108 VanDerWaalsContact C-N 3.3Å; N106-A108 PolarHBondContact O-N 3Å; N106-K109 PolarHBondContact O-N 2.96Å; N106-E110 WeakPolarHBondContact O-CG 3.12Å; N106-E110 PolarHBondContact O-N 3.43Å; N106-A136 WeakPolarHBondContact OD1-CA 3.39Å; N106-A136 WeakPolarHBondContact OD1-CB 3.3Å
107	E	98.6	Very high	98.6	Very high	84 Å²	84	43.7 Å²	43.7	39%	0.393	27%	0.267	S	S	.	.	H	α-helix	trans	-55.7	-46.4	176.7	-73.3	166.1	-163.1	0	0	111.4	F102 N103 S104 K109 E110 A111	F102-E107 HydrophobicContact CB-CB 4.21Å; F102-E107 HydrophobicContact CD1-CB 4.1Å; N103-E107 WeakPolarHBondContact CB-OE2 3.05Å; N103-E107 PolarHBondContact N-OE2 3.37Å; S104-E107 PolarHBondContact N-OE2 2.83Å; S104-E107 VanDerWaalsContact OG-CG 3.31Å; S104-E107 WeakPolarHBondContact OG-CG 3.23Å; S104-E107 PolarHBondContact OG-N 2.93Å; E107-K109 PolarHBondContact O-N 2.92Å; E107-E110 PolarHBondContact O-N 2.95Å; E107-A111 VanDerWaalsContact O-CB 3.3Å; E107-A111 WeakPolarHBondContact O-CB 3.41Å; E107-A111 PolarHBondContact O-N 3.4Å
108	A	98.8	Very high	98.7	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-61.9	-43.2	179.6	0	0	0	0	0	111.9	I60 V87 F102 S104 V105 N106 T112	I60-A108 HydrophobicContact CD1-CB 3.91Å; I60-A108 HydrophobicContact CG2-CB 4.25Å; V87-A108 HydrophobicContact CG2-CB 3.95Å; F102-A108 HydrophobicContact CB-CB 3.9Å; F102-A108 HydrophobicContact CD1-CB 4.46Å; F102-A108 HydrophobicContact CD2-CB 3.39Å; F102-A108 HydrophobicContact CE2-CB 3.98Å; F102-A108 HydrophobicContact CG-CB 3.67Å; S104-A108 PolarHBondContact O-N 3.41Å; V105-A108 PolarHBondContact O-N 3.45Å; N106-A108 VanDerWaalsContact C-N 3.3Å; N106-A108 PolarHBondContact O-N 3Å; A108-T112 WeakPolarHBondContact O-CB 3.4Å; A108-T112 WeakPolarHBondContact O-CG2 3.48Å; A108-T112 PolarHBondContact O-N 3.19Å; A108-T112 VanDerWaalsContact O-N 3.12Å; A108-T112 PolarHBondContact O-OG1 3Å
109	K	98.7	Very high	98.7	Very high	59 Å²	59	37.7 Å²	37.7	26%	0.257	22%	0.217	S	C	.	.	H	α-helix	trans	-65	-48.6	178.9	-172.7	-170.3	175.9	-157.9	0	111.5	V105 N106 E107 A111 T112 G113 A136 Q137 I138	V105-K109 WeakPolarHBondContact O-CB 3.24Å; V105-K109 PolarHBondContact O-N 3.15Å; N106-K109 PolarHBondContact O-N 2.96Å; E107-K109 PolarHBondContact O-N 2.92Å; K109-A111 PolarHBondContact O-N 3.08Å; K109-T112 PolarHBondContact O-N 3.14Å; K109-G113 VanDerWaalsContact O-CA 3.28Å; K109-G113 WeakPolarHBondContact O-CA 3.2Å; K109-G113 PolarHBondContact O-N 3.12Å; K109-A136 WeakPolarHBondContact CD-O 3.3Å; K109-A136 WeakPolarHBondContact CE-O 3.35Å; K109-A136 PolarHBondContact NZ-O 2.83Å; K109-Q137 PolarHBondContact NZ-O 3.47Å; K109-I138 HydrophobicContact CB-CD1 3.9Å; K109-I138 HydrophobicContact CD-CD1 3.82Å; K109-I138 HydrophobicContact CG-CD1 3.77Å
110	E	98.6	Very high	98.7	Very high	166 Å²	166	37.3 Å²	37.3	78%	0.776	21%	0.214	S	C	*	.	H	α-helix	trans	-61.4	-43.5	-179.7	-72.8	177.9	177.4	0	0	111.8	N106 E107	N106-E110 WeakPolarHBondContact O-CG 3.12Å; N106-E110 PolarHBondContact O-N 3.43Å; E107-E110 PolarHBondContact O-N 2.95Å
111	A	98.6	Very high	98.7	Very high	71 Å²	71	35.6 Å²	35.6	59%	0.587	20%	0.202	S	C	*	.	H	α-helix	trans	-73	-30.8	-178.2	0	0	0	0	0	113.9	F102 E107 K109	F102-A111 HydrophobicContact CE1-CB 3.53Å; F102-A111 HydrophobicContact CZ-CB 3.74Å; E107-A111 VanDerWaalsContact O-CB 3.3Å; E107-A111 WeakPolarHBondContact O-CB 3.41Å; E107-A111 PolarHBondContact O-N 3.4Å; K109-A111 PolarHBondContact O-N 3.08Å
112	T	98.5	Very high	98.7	Very high	24 Å²	24	39.4 Å²	39.4	15%	0.147	23%	0.227	C	C	.	.	H	α-helix	trans	-112.6	-19.9	-169.7	69	0	0	0	0	114.2	K58 V84 F102 A108 K109 A114	K58-T112 WeakPolarHBondContact CD-O 3.15Å; K58-T112 PolarHBondContact NZ-O 3.44Å; V84-T112 HydrophobicContact CB-CG2 4.24Å; V84-T112 HydrophobicContact CG2-CG2 4.05Å; F102-T112 HydrophobicContact CE2-CG2 3.91Å; F102-T112 HydrophobicContact CZ-CG2 3.84Å; A108-T112 WeakPolarHBondContact O-CB 3.4Å; A108-T112 WeakPolarHBondContact O-CG2 3.48Å; A108-T112 PolarHBondContact O-N 3.19Å; A108-T112 VanDerWaalsContact O-N 3.12Å; A108-T112 PolarHBondContact O-OG1 3Å; K109-T112 PolarHBondContact O-N 3.14Å; T112-A114 VanDerWaalsContact C-N 3.34Å; T112-A114 WeakPolarHBondContact OG1-CB 3.34Å; T112-A114 PolarHBondContact OG1-N 2.9Å
113	G	98.4	Very high	98.7	Very high	39 Å²	39	40.1 Å²	40.1	40%	0.402	23%	0.234	S	C	.	.			trans	67.7	32.4	-168.5	0	0	0	0	0	112.9	K109 T115	K109-G113 VanDerWaalsContact O-CA 3.28Å; K109-G113 WeakPolarHBondContact O-CA 3.2Å; K109-G113 PolarHBondContact O-N 3.12Å; G113-T115 PolarHBondContact O-N 3.4Å
114	A	98.7	Very high	98.6	Very high	3 Å²	3	41.9 Å²	41.9	3%	0.025	25%	0.249	C	C	.	.			trans	-55.9	132.1	-179.7	0	0	0	0	0	112.2	K58 I60 V84 T112 I138	K58-A114 WeakPolarHBondContact O-CA 3.35Å; I60-A114 HydrophobicContact CB-CB 4.4Å; I60-A114 HydrophobicContact CD1-CB 4.32Å; I60-A114 HydrophobicContact CG1-CB 4.01Å; I60-A114 HydrophobicContact CG2-CB 3.67Å; V84-A114 HydrophobicContact CG2-CB 4.41Å; T112-A114 VanDerWaalsContact C-N 3.34Å; T112-A114 WeakPolarHBondContact OG1-CB 3.34Å; T112-A114 PolarHBondContact OG1-N 2.9Å; A114-I138 HydrophobicContact CB-CD1 4.46Å
115	T	98.7	Very high	98.6	Very high	56 Å²	56	46.3 Å²	46.3	34%	0.344	27%	0.267	S	S	.	.			trans	-107	-9.7	176.9	56.4	0	0	0	0	112.6	K58 G113 P139 L140	K58-T115 PolarHBondContact N-OG1 3.31Å; K58-T115 VanDerWaalsContact N-OG1 3.12Å; K58-T115 PolarHBondContact O-N 3.26Å; G113-T115 PolarHBondContact O-N 3.4Å; T115-P139 WeakPolarHBondContact O-CB 3.37Å; T115-P139 VanDerWaalsContact O-CD 3.29Å; T115-P139 WeakPolarHBondContact O-CD 3.44Å; T115-L140 PolarHBondContact O-N 3.13Å; T115-L140 VanDerWaalsContact O-N 3.16Å
116	A	98.9	Very high	98.6	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	154.9	174.9	0	0	0	0	0	112.4	T57 K58 L59 I60 L140 I184	T57-A116 HydrophobicContact CG2-CB 3.85Å; K58-A116 PolarHBondContact O-N 2.92Å; L59-A116 WeakPolarHBondContact CA-O 3.33Å; L59-A116 HydrophobicContact CD1-CB 3.95Å; I60-A116 WeakPolarHBondContact CG1-O 3.43Å; I60-A116 PolarHBondContact N-O 3.19Å; A116-L140 CarbonylContact C-O 3.56Å; A116-L140 WeakPolarHBondContact CA-O 3.46Å; A116-L140 HydrophobicContact CB-CB 4.02Å; A116-L140 HydrophobicContact CB-CD2 4.4Å; A116-I184 HydrophobicContact CB-CD1 3.86Å
117	T	98.9	Very high	98.6	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	142.3	169.4	-173.4	0	0	0	0	111.6	I60 Q62 A133 I138 L140 I141 V142	I60-T117 CarbonylContact O-C 3.58Å; I60-T117 VanDerWaalsContact O-CA 3.23Å; I60-T117 WeakPolarHBondContact O-CA 3.35Å; I60-T117 PolarHBondContact O-OG1 3.11Å; Q62-T117 PolarHBondContact NE2-OG1 3.43Å; T117-A133 HydrophobicContact CG2-CB 3.78Å; T117-I138 HydrophobicContact CG2-CB 4.36Å; T117-I138 HydrophobicContact CG2-CG2 3.85Å; T117-L140 PolarHBondContact N-O 3.33Å; T117-I141 HydrophobicContact CG2-CB 4.12Å; T117-I141 HydrophobicContact CG2-CG1 3.94Å; T117-I141 HydrophobicContact CG2-CG2 3.93Å; T117-V142 PolarHBondContact O-N 3.42Å
118	V	98.9	Very high	98.6	Very high	2 Å²	2	42.2 Å²	42.2	1%	0.012	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	138.1	169.1	64	0	0	0	0	110.1	L59 I60 C61 Q62 Y120 V142 I144 I184	L59-V118 HydrophobicContact CD1-CB 4.19Å; L59-V118 HydrophobicContact CD1-CG1 4.16Å; L59-V118 HydrophobicContact CD2-CG1 4.21Å; L59-V118 HydrophobicContact CG-CG1 4.39Å; I60-V118 PolarHBondContact O-N 3.18Å; C61-V118 CarbonylContact C-O 3.53Å; C61-V118 HydrophobicContact CB-CG1 4.12Å; Q62-V118 PolarHBondContact N-O 3.36Å; V118-Y120 HydrophobicContact CB-CE2 4.21Å; V118-Y120 HydrophobicContact CG1-CD2 4.22Å; V118-Y120 HydrophobicContact CG1-CE2 3.67Å; V118-Y120 HydrophobicContact CG2-CD2 4.14Å; V118-Y120 HydrophobicContact CG2-CE2 3.49Å; V118-Y120 VanDerWaalsContact CG2-CE2 3.49Å; V118-V142 CarbonylContact C-O 3.48Å; V118-V142 WeakPolarHBondContact CA-O 2.99Å; V118-I144 HydrophobicContact CG2-CD1 4.4Å; V118-I144 HydrophobicContact CG2-CG1 3.85Å; V118-I184 HydrophobicContact CB-CG2 3.72Å; V118-I184 HydrophobicContact CG2-CG2 4.05Å
119	I	98.9	Very high	98.6	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	118.2	-176.6	-59.1	170.6	0	0	0	109.5	Q62 V121 A129 I130 I141 V142 C143 I144	Q62-I119 HydrophobicContact CB-CG1 4.07Å; Q62-I119 HydrophobicContact CG-CG1 4.48Å; I119-V121 HydrophobicContact CG2-CB 3.78Å; I119-V121 HydrophobicContact CG2-CG2 3.92Å; I119-A129 HydrophobicContact CD1-CB 4.17Å; I119-A129 HydrophobicContact CG1-CB 4.5Å; I119-A129 HydrophobicContact CG2-CB 3.95Å; I119-I130 HydrophobicContact CD1-CB 4.32Å; I119-I130 HydrophobicContact CD1-CG1 3.56Å; I119-I141 HydrophobicContact CD1-CG2 3.68Å; I119-I141 HydrophobicContact CG1-CG2 4.5Å; I119-V142 PolarHBondContact N-O 3.01Å; I119-C143 HydrophobicContact CB-CB 4.4Å; I119-C143 HydrophobicContact CD1-CB 4.39Å; I119-I144 PolarHBondContact O-N 3.46Å; I119-I144 VanDerWaalsContact O-N 3.13Å
120	Y	98.8	Very high	98.6	Very high	25 Å²	25	39.7 Å²	39.7	10%	0.098	25%	0.248	C	C	.	.			trans	-114.4	19.5	170.2	-64.2	-77.2	0	0	0	112.1	Q62 Q68 H72 V118 I144 G185 I186	Q62-Y120 PolarHBondContact O-N 2.89Å; Q68-Y120 HydrophobicContact CB-CD1 4.25Å; H72-Y120 HydrophobicContact CB-CE1 4.05Å; H72-Y120 HydrophobicContact CB-CE2 4.01Å; H72-Y120 VanDerWaalsContact CB-OH 3.28Å; H72-Y120 WeakPolarHBondContact CB-OH 3.48Å; H72-Y120 AromaticContact CD2-CE1 3.62Å; H72-Y120 AromaticContact CG-CE1 3.98Å; H72-Y120 AromaticContact CG-CZ 3.93Å; V118-Y120 HydrophobicContact CB-CE2 4.21Å; V118-Y120 HydrophobicContact CG1-CD2 4.22Å; V118-Y120 HydrophobicContact CG1-CE2 3.67Å; V118-Y120 HydrophobicContact CG2-CD2 4.14Å; V118-Y120 HydrophobicContact CG2-CE2 3.49Å; V118-Y120 VanDerWaalsContact CG2-CE2 3.49Å; Y120-I144 HydrophobicContact CD1-CB 4.03Å; Y120-I144 HydrophobicContact CD1-CG1 4.12Å; Y120-I144 HydrophobicContact CD1-CG2 4.21Å; Y120-I144 HydrophobicContact CE1-CB 3.91Å; Y120-I144 HydrophobicContact CE1-CG1 3.61Å; Y120-I144 HydrophobicContact CE1-CG2 3.95Å; Y120-G185 WeakPolarHBondContact OH-CA 3.29Å; Y120-G185 PolarHBondContact OH-O 2.74Å; Y120-I186 HydrophobicContact CE1-CG2 3.67Å
121	V	98.6	Very high	98.6	Very high	21 Å²	21	33.7 Å²	33.7	13%	0.127	22%	0.22	C	C	.	.			trans	-69	138.2	-179.7	174.9	0	0	0	0	110	Q62 I119 H125 A129 T145	Q62-V121 HydrophobicContact CB-CG2 4.26Å; I119-V121 HydrophobicContact CG2-CB 3.78Å; I119-V121 HydrophobicContact CG2-CG2 3.92Å; V121-H125 HydrophobicContact CG1-CB 3.51Å; V121-A129 HydrophobicContact CB-CB 4.27Å; V121-A129 HydrophobicContact CG1-CB 4.47Å; V121-A129 HydrophobicContact CG2-CB 4Å; V121-T145 WeakPolarHBondContact O-CB 3.44Å; V121-T145 WeakPolarHBondContact O-CG2 3.25Å; V121-T145 PolarHBondContact O-OG1 2.85Å
122	P	98.2	Very high	98.6	Very high	81 Å²	81	33.1 Å²	33.1	53%	0.526	21%	0.205	S	C	.	.			trans	-57.3	157.5	178.9	-27.4	35.9	0	0	0	114.4	P124 H125 A126	P122-P124 VanDerWaalsContact C-CD 3.47Å; P122-H125 PolarHBondContact O-N 3.41Å; P122-A126 PolarHBondContact O-N 3.09Å; P122-A126 VanDerWaalsContact O-N 3.07Å
123	P	98.3	Very high	98.6	Very high	45 Å²	45	32 Å²	32	29%	0.292	20%	0.198	S	C	.	.	H	α-helix	trans	-53.4	-41.8	-170.4	-24.4	32.9	0	0	0	116.1	H125 A126 T145 E146 G147	P123-H125 PolarHBondContact O-N 3.39Å; P123-A126 PolarHBondContact O-N 3.45Å; P123-T145 HydrophobicContact CB-CG2 4.24Å; P123-T145 HydrophobicContact CG-CG2 3.85Å; P123-E146 VanDerWaalsContact CG-O 3.24Å; P123-E146 WeakPolarHBondContact CG-O 3.2Å; P123-G147 WeakPolarHBondContact CB-O 3.36Å
124	P	97.9	Very high	98.6	Very high	101 Å²	101	30.6 Å²	30.6	66%	0.656	18%	0.181	S	C	*	.	H	α-helix	trans	-61.6	-17.4	179.2	-25.4	36.1	0	0	0	115.2	P122	P122-P124 VanDerWaalsContact C-CD 3.47Å
125	H	98.2	Very high	98.6	Very high	121 Å²	121	35 Å²	35	56%	0.56	20%	0.204	S	C	*	.	H	α-helix	trans	-122.2	-8.8	-174.3	-52.8	-55.5	0	0	0	113.1	V121 P122 P123 A127 A128 A129	V121-H125 HydrophobicContact CG1-CB 3.51Å; P122-H125 PolarHBondContact O-N 3.41Å; P123-H125 PolarHBondContact O-N 3.39Å; H125-A127 PolarHBondContact O-N 3.21Å; H125-A128 WeakPolarHBondContact O-CB 3.41Å; H125-A128 PolarHBondContact O-N 2.88Å; H125-A129 PolarHBondContact O-N 2.84Å
126	A	98.6	Very high	98.6	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-66.1	-35.6	-174.7	0	0	0	0	0	113.2	P122 P123 A128 A129 I130 T145 I148	P122-A126 PolarHBondContact O-N 3.09Å; P122-A126 VanDerWaalsContact O-N 3.07Å; P123-A126 PolarHBondContact O-N 3.45Å; A126-A128 VanDerWaalsContact C-N 3.31Å; A126-A128 PolarHBondContact O-N 3.01Å; A126-A129 WeakPolarHBondContact O-CB 3.43Å; A126-A129 PolarHBondContact O-N 2.86Å; A126-I130 WeakPolarHBondContact O-CG1 3.36Å; A126-I130 PolarHBondContact O-N 3.03Å; A126-T145 HydrophobicContact CB-CG2 3.84Å; A126-I148 HydrophobicContact CB-CD1 3.43Å; A126-I148 VanDerWaalsContact CB-CD1 3.43Å; A126-I148 HydrophobicContact CB-CG1 3.84Å
127	A	98.7	Very high	98.6	Very high	10 Å²	10	38 Å²	38	8%	0.083	22%	0.215	C	C	.	.	H	α-helix	trans	-62.7	-38.1	174	0	0	0	0	0	112.3	H125 I130 H131 I148 D152 V156	H125-A127 PolarHBondContact O-N 3.21Å; A127-I130 PolarHBondContact O-N 2.82Å; A127-H131 PolarHBondContact O-CD2 2.84Å; A127-H131 PolarHBondContact O-N 3.5Å; A127-I148 HydrophobicContact CB-CG2 4.15Å; A127-D152 HydrophobicContact CB-CB 3.75Å; A127-V156 HydrophobicContact CB-CG2 4.27Å
128	A	98.6	Very high	98.6	Very high	62 Å²	62	38 Å²	38	51%	0.512	22%	0.215	S	C	.	.	H	α-helix	trans	-66.5	-40.8	174.9	0	0	0	0	0	111.7	H125 A126 I130 H131 E132	H125-A128 WeakPolarHBondContact O-CB 3.41Å; H125-A128 PolarHBondContact O-N 2.88Å; A126-A128 VanDerWaalsContact C-N 3.31Å; A126-A128 PolarHBondContact O-N 3.01Å; A128-I130 VanDerWaalsContact C-N 3.34Å; A128-I130 PolarHBondContact O-N 3.32Å; A128-H131 WeakPolarHBondContact O-CB 3.49Å; A128-H131 PolarHBondContact O-N 2.79Å; A128-E132 PolarHBondContact O-N 2.89Å
129	A	98.8	Very high	98.6	Very high	7 Å²	7	39.8 Å²	39.8	6%	0.058	23%	0.226	C	C	.	.	H	α-helix	trans	-62.2	-38	174.2	0	0	0	0	0	112.7	Q62 I119 V121 H125 A126 A133	Q62-A129 PolarHBondContact OE1-O 2.88Å; Q62-A129 VanDerWaalsContact OE1-O 3.06Å; I119-A129 HydrophobicContact CD1-CB 4.17Å; I119-A129 HydrophobicContact CG1-CB 4.5Å; I119-A129 HydrophobicContact CG2-CB 3.95Å; V121-A129 HydrophobicContact CB-CB 4.27Å; V121-A129 HydrophobicContact CG1-CB 4.47Å; V121-A129 HydrophobicContact CG2-CB 4Å; H125-A129 PolarHBondContact O-N 2.84Å; A126-A129 WeakPolarHBondContact O-CB 3.43Å; A126-A129 PolarHBondContact O-N 2.86Å; A129-A133 PolarHBondContact O-N 3.16Å; A129-A133 VanDerWaalsContact O-N 3.14Å
130	I	98.9	Very high	98.6	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-64.1	-46.7	172.6	-64.5	164.7	0	0	0	110.2	I119 A126 A127 A128 E132 A133 I134 C143 I148 M153 V156 L168	I119-I130 HydrophobicContact CD1-CB 4.32Å; I119-I130 HydrophobicContact CD1-CG1 3.56Å; A126-I130 WeakPolarHBondContact O-CG1 3.36Å; A126-I130 PolarHBondContact O-N 3.03Å; A127-I130 PolarHBondContact O-N 2.82Å; A128-I130 VanDerWaalsContact C-N 3.34Å; A128-I130 PolarHBondContact O-N 3.32Å; I130-E132 VanDerWaalsContact C-N 3.34Å; I130-E132 PolarHBondContact O-N 3.23Å; I130-A133 PolarHBondContact O-N 3.22Å; I130-I134 HydrophobicContact CG2-CD1 3.9Å; I130-I134 HydrophobicContact CG2-CG1 4.42Å; I130-I134 WeakPolarHBondContact O-CG1 3.28Å; I130-I134 PolarHBondContact O-N 3.47Å; I130-C143 HydrophobicContact CD1-CB 4.01Å; I130-C143 HydrophobicContact CG1-CB 4.2Å; I130-I148 HydrophobicContact CD1-CD1 4.23Å; I130-M153 HydrophobicContact CD1-SD 4.04Å; I130-V156 HydrophobicContact CB-CG2 4.5Å; I130-V156 HydrophobicContact CD1-CG1 4.5Å; I130-V156 HydrophobicContact CG2-CG1 3.63Å; I130-V156 HydrophobicContact CG2-CG2 4.35Å; I130-L168 HydrophobicContact CD1-CD1 4.36Å; I130-L168 HydrophobicContact CD1-CD2 4.31Å; I130-L168 HydrophobicContact CG1-CD1 4.32Å; I130-L168 HydrophobicContact CG2-CD1 4.27Å; I130-L168 HydrophobicContact CG2-CD2 4.18Å
131	H	98.7	Very high	98.6	Very high	40 Å²	40	38.8 Å²	38.8	19%	0.185	22%	0.223	C	C	.	.	H	α-helix	trans	-58.1	-45.3	177.4	-77.5	-33.5	0	0	0	112.4	A127 A128 A133 I134 D135 R159	A127-H131 PolarHBondContact O-CD2 2.84Å; A127-H131 PolarHBondContact O-N 3.5Å; A128-H131 WeakPolarHBondContact O-CB 3.49Å; A128-H131 PolarHBondContact O-N 2.79Å; H131-A133 VanDerWaalsContact C-N 3.32Å; H131-A133 PolarHBondContact O-N 2.8Å; H131-I134 WeakPolarHBondContact O-CB 3.45Å; H131-I134 PolarHBondContact O-N 3.43Å; H131-I134 VanDerWaalsContact O-N 3.13Å; H131-D135 PolarHBondContact O-N 3.21Å; H131-R159 VanDerWaalsContact CB-NH1 3.33Å; H131-R159 WeakPolarHBondContact ND1-CD 3.45Å; H131-R159 PolarHBondContact ND1-NH1 2.87Å; H131-R159 PolarHBondContact O-NH1 2.88Å
132	E	98.8	Very high	98.6	Very high	58 Å²	58	37.8 Å²	37.8	27%	0.271	22%	0.217	S	C	.	.	H	α-helix	trans	-58.1	-43	176.7	-168.2	-172.9	174	0	0	111.9	S104 V105 A128 I130 D135 A136	S104-E132 WeakPolarHBondContact CA-OE1 3.42Å; S104-E132 WeakPolarHBondContact CB-OE1 3.28Å; V105-E132 HydrophobicContact CB-CG 4.03Å; V105-E132 HydrophobicContact CG2-CB 4.37Å; V105-E132 HydrophobicContact CG2-CG 3.83Å; V105-E132 PolarHBondContact N-OE1 2.67Å; A128-E132 PolarHBondContact O-N 2.89Å; I130-E132 VanDerWaalsContact C-N 3.34Å; I130-E132 PolarHBondContact O-N 3.23Å; E132-D135 PolarHBondContact O-N 3.29Å; E132-A136 WeakPolarHBondContact O-CB 3.46Å; E132-A136 PolarHBondContact O-N 3.35Å
133	A	98.9	Very high	98.6	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-69.7	-31.2	176.9	0	0	0	0	0	114.1	V105 T117 A129 I130 H131 Q137 I138 I141	V105-A133 HydrophobicContact CG1-CB 4.41Å; T117-A133 HydrophobicContact CG2-CB 3.78Å; A129-A133 PolarHBondContact O-N 3.16Å; A129-A133 VanDerWaalsContact O-N 3.14Å; I130-A133 PolarHBondContact O-N 3.22Å; H131-A133 VanDerWaalsContact C-N 3.32Å; H131-A133 PolarHBondContact O-N 2.8Å; A133-Q137 PolarHBondContact O-N 3.13Å; A133-I138 HydrophobicContact CB-CB 4.49Å; A133-I138 HydrophobicContact CB-CG1 4.39Å; A133-I138 PolarHBondContact O-N 3.06Å; A133-I141 HydrophobicContact CB-CD1 3.56Å; A133-I141 HydrophobicContact CB-CG1 3.81Å; A133-I141 HydrophobicContact CB-CG2 4.32Å
134	I	98.6	Very high	98.7	Very high	10 Å²	10	32.7 Å²	32.7	5%	0.051	18%	0.182	C	C	.	.	H	α-helix	trans	-67	-45.3	170.8	-65.6	166	0	0	0	109.9	I130 H131 A136 Q137 I141 R159 L160 Q163	I130-I134 HydrophobicContact CG2-CD1 3.9Å; I130-I134 HydrophobicContact CG2-CG1 4.42Å; I130-I134 WeakPolarHBondContact O-CG1 3.28Å; I130-I134 PolarHBondContact O-N 3.47Å; H131-I134 WeakPolarHBondContact O-CB 3.45Å; H131-I134 PolarHBondContact O-N 3.43Å; H131-I134 VanDerWaalsContact O-N 3.13Å; I134-A136 VanDerWaalsContact C-N 3.27Å; I134-A136 PolarHBondContact O-N 3.31Å; I134-Q137 PolarHBondContact O-N 3Å; I134-I141 HydrophobicContact CG1-CD1 3.77Å; I134-R159 HydrophobicContact CD1-CB 4.48Å; I134-L160 HydrophobicContact CD1-CD2 3.61Å; I134-L160 HydrophobicContact CD1-CG 3.95Å; I134-L160 HydrophobicContact CG1-CD2 4Å; I134-Q163 HydrophobicContact CG2-CG 4.08Å
135	D	98.5	Very high	98.7	Very high	95 Å²	95	28.6 Å²	28.6	51%	0.508	16%	0.156	S	C	.	.	H	α-helix	trans	-60.6	-38.7	177.4	-71.8	-47.7	0	0	0	111.4	H131 E132 Q137 R159	H131-D135 PolarHBondContact O-N 3.21Å; E132-D135 PolarHBondContact O-N 3.29Å; D135-Q137 PolarHBondContact O-N 3Å; D135-R159 IonicContact OD1-CZ 3.43Å; D135-R159 IonicContact OD1-NH1 2.81Å; D135-R159 PolarHBondContact OD1-NH1 2.72Å; D135-R159 IonicContact OD1-NH2 3.87Å; D135-R159 PolarHBondContact OD1-NH2 3.21Å; D135-R159 IonicContact OD2-CZ 3.63Å; D135-R159 IonicContact OD2-NH1 3.88Å; D135-R159 PolarHBondContact OD2-NH1 3.23Å; D135-R159 IonicContact OD2-NH2 2.88Å; D135-R159 PolarHBondContact OD2-NH2 3.31Å
136	A	98.6	Very high	98.7	Very high	3 Å²	3	28.2 Å²	28.2	3%	0.025	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-4.8	174.1	0	0	0	0	0	114.8	V105 N106 K109 E132 I134 I138	V105-A136 HydrophobicContact CB-CB 4.08Å; V105-A136 HydrophobicContact CG1-CB 3.57Å; N106-A136 WeakPolarHBondContact OD1-CA 3.39Å; N106-A136 WeakPolarHBondContact OD1-CB 3.3Å; K109-A136 WeakPolarHBondContact CD-O 3.3Å; K109-A136 WeakPolarHBondContact CE-O 3.35Å; K109-A136 PolarHBondContact NZ-O 2.83Å; E132-A136 WeakPolarHBondContact O-CB 3.46Å; E132-A136 PolarHBondContact O-N 3.35Å; I134-A136 VanDerWaalsContact C-N 3.27Å; I134-A136 PolarHBondContact O-N 3.31Å; A136-I138 VanDerWaalsContact C-N 3.28Å; A136-I138 HydrophobicContact CB-CG1 4.2Å; A136-I138 PolarHBondContact O-N 3.14Å
137	Q	98.4	Very high	98.7	Very high	118 Å²	118	30.6 Å²	30.6	55%	0.551	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.5	45.1	-176	-57.1	-179	-17	0	0	112.1	K109 A133 I134 D135 P139 A165	K109-Q137 PolarHBondContact NZ-O 3.47Å; A133-Q137 PolarHBondContact O-N 3.13Å; I134-Q137 PolarHBondContact O-N 3Å; D135-Q137 PolarHBondContact O-N 3Å; Q137-P139 WeakPolarHBondContact O-CD 3.25Å; Q137-A165 HydrophobicContact CB-CB 3.91Å; Q137-A165 HydrophobicContact CG-CB 4.14Å
138	I	98.7	Very high	98.7	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	18%	0.176	C	C	.	.			trans	-69.1	124	170.8	-64.8	-70.7	0	0	0	108.1	I60 V105 K109 A114 T117 A133 A136 L140 I141 S166	I60-I138 HydrophobicContact CD1-CD1 4.21Å; V105-I138 HydrophobicContact CG1-CD1 3.96Å; V105-I138 HydrophobicContact CG1-CG1 3.58Å; K109-I138 HydrophobicContact CB-CD1 3.9Å; K109-I138 HydrophobicContact CD-CD1 3.82Å; K109-I138 HydrophobicContact CG-CD1 3.77Å; A114-I138 HydrophobicContact CB-CD1 4.46Å; T117-I138 HydrophobicContact CG2-CB 4.36Å; T117-I138 HydrophobicContact CG2-CG2 3.85Å; A133-I138 HydrophobicContact CB-CB 4.49Å; A133-I138 HydrophobicContact CB-CG1 4.39Å; A133-I138 PolarHBondContact O-N 3.06Å; A136-I138 VanDerWaalsContact C-N 3.28Å; A136-I138 HydrophobicContact CB-CG1 4.2Å; A136-I138 PolarHBondContact O-N 3.14Å; I138-L140 VanDerWaalsContact CG2-O 3.31Å; I138-L140 WeakPolarHBondContact CG2-O 3.35Å; I138-L140 PolarHBondContact O-N 3.38Å; I138-I141 HydrophobicContact CB-CG1 4.42Å; I138-I141 HydrophobicContact CG2-CG1 4.46Å; I138-S166 WeakPolarHBondContact O-CA 3.26Å; I138-S166 WeakPolarHBondContact O-CB 3.27Å; I138-S166 PolarHBondContact O-OG 3.25Å
139	P	98.7	Very high	98.6	Very high	38 Å²	38	30.5 Å²	30.5	25%	0.247	17%	0.171	C	C	.	.	S	Bend	trans	-56.5	-44	-176.6	-27.3	32.8	0	0	0	114.6	N50 T115 Q137 A165 S166 R167	N50-P139 HydrophobicContact CB-CB 4.48Å; N50-P139 WeakPolarHBondContact CB-O 3.24Å; N50-P139 PolarHBondContact ND2-O 3.47Å; T115-P139 WeakPolarHBondContact O-CB 3.37Å; T115-P139 VanDerWaalsContact O-CD 3.29Å; T115-P139 WeakPolarHBondContact O-CD 3.44Å; Q137-P139 WeakPolarHBondContact O-CD 3.25Å; P139-A165 WeakPolarHBondContact CA-O 3.4Å; P139-S166 CarbonylContact O-C 3.39Å; P139-R167 PolarHBondContact O-N 3.42Å
140	L	98.9	Very high	98.6	Very high	4 Å²	4	33.5 Å²	33.5	2%	0.021	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	124.6	179	-177.2	63.3	0	0	0	112.3	L53 T115 A116 T117 I138 V142 R167 I169 I176 I184	L53-L140 HydrophobicContact CD2-CD2 3.67Å; T115-L140 PolarHBondContact O-N 3.13Å; T115-L140 VanDerWaalsContact O-N 3.16Å; A116-L140 CarbonylContact C-O 3.56Å; A116-L140 WeakPolarHBondContact CA-O 3.46Å; A116-L140 HydrophobicContact CB-CB 4.02Å; A116-L140 HydrophobicContact CB-CD2 4.4Å; T117-L140 PolarHBondContact N-O 3.33Å; I138-L140 VanDerWaalsContact CG2-O 3.31Å; I138-L140 WeakPolarHBondContact CG2-O 3.35Å; I138-L140 PolarHBondContact O-N 3.38Å; L140-V142 HydrophobicContact CD2-CG2 4.31Å; L140-V142 HydrophobicContact CG-CG2 4.12Å; L140-R167 HydrophobicContact CD1-CB 4.36Å; L140-R167 HydrophobicContact CD1-CG 4.22Å; L140-I169 HydrophobicContact CD1-CD1 3.84Å; L140-I169 HydrophobicContact CD1-CG1 4.15Å; L140-I176 HydrophobicContact CD2-CG2 4.45Å; L140-I184 HydrophobicContact CD2-CD1 4.04Å
141	I	98.9	Very high	98.5	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	125.3	177	-53.5	170.2	0	0	0	107.7	T117 I119 A133 I134 I138 R167 L168 I169	T117-I141 HydrophobicContact CG2-CB 4.12Å; T117-I141 HydrophobicContact CG2-CG1 3.94Å; T117-I141 HydrophobicContact CG2-CG2 3.93Å; I119-I141 HydrophobicContact CD1-CG2 3.68Å; I119-I141 HydrophobicContact CG1-CG2 4.5Å; A133-I141 HydrophobicContact CB-CD1 3.56Å; A133-I141 HydrophobicContact CB-CG1 3.81Å; A133-I141 HydrophobicContact CB-CG2 4.32Å; I134-I141 HydrophobicContact CG1-CD1 3.77Å; I138-I141 HydrophobicContact CB-CG1 4.42Å; I138-I141 HydrophobicContact CG2-CG1 4.46Å; I141-R167 PolarHBondContact N-O 2.87Å; I141-L168 HydrophobicContact CB-CD1 4Å; I141-L168 HydrophobicContact CG2-CD1 3.66Å; I141-L168 CarbonylContact O-C 3.58Å; I141-L168 VanDerWaalsContact O-CA 3.32Å; I141-L168 WeakPolarHBondContact O-CA 3.5Å; I141-I169 PolarHBondContact O-N 2.82Å
142	V	98.9	Very high	98.5	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	108.9	177.4	-175.2	0	0	0	0	108.9	T117 V118 I119 L140 I144 I169 I176 I184	T117-V142 PolarHBondContact O-N 3.42Å; V118-V142 CarbonylContact C-O 3.48Å; V118-V142 WeakPolarHBondContact CA-O 2.99Å; I119-V142 PolarHBondContact N-O 3.01Å; L140-V142 HydrophobicContact CD2-CG2 4.31Å; L140-V142 HydrophobicContact CG-CG2 4.12Å; V142-I144 HydrophobicContact CG1-CD1 3.88Å; V142-I169 HydrophobicContact CG2-CB 4.41Å; V142-I169 HydrophobicContact CG2-CD1 4.47Å; V142-I176 HydrophobicContact CG2-CG2 3.95Å; V142-I184 HydrophobicContact CB-CG2 3.86Å; V142-I184 HydrophobicContact CG1-CG2 4.25Å; V142-I184 HydrophobicContact CG2-CB 4.35Å; V142-I184 HydrophobicContact CG2-CG2 3.72Å
143	C	98.9	Very high	98.5	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	112.4	179.7	-171.1	0	0	0	0	110.9	I119 I130 L168 I169 P171 C173	I119-C143 HydrophobicContact CB-CB 4.4Å; I119-C143 HydrophobicContact CD1-CB 4.39Å; I130-C143 HydrophobicContact CD1-CB 4.01Å; I130-C143 HydrophobicContact CG1-CB 4.2Å; C143-L168 HydrophobicContact CB-CD1 4.05Å; C143-I169 PolarHBondContact N-O 2.7Å; C143-P171 HydrophobicContact CB-CB 4.19Å; C143-P171 VanDerWaalsContact O-CA 3.29Å; C143-P171 WeakPolarHBondContact O-CA 3.3Å; C143-C173 PolarHBondContact O-SG 2.9Å
144	I	98.8	Very high	98.5	Very high	20 Å²	20	40 Å²	40	10%	0.103	22%	0.218	C	C	.	.			trans	-83.1	-31	-179.3	-55.5	-56.9	0	0	0	111	V118 I119 Y120 V142 E146 C173 I186	V118-I144 HydrophobicContact CG2-CD1 4.4Å; V118-I144 HydrophobicContact CG2-CG1 3.85Å; I119-I144 PolarHBondContact O-N 3.46Å; I119-I144 VanDerWaalsContact O-N 3.13Å; Y120-I144 HydrophobicContact CD1-CB 4.03Å; Y120-I144 HydrophobicContact CD1-CG1 4.12Å; Y120-I144 HydrophobicContact CD1-CG2 4.21Å; Y120-I144 HydrophobicContact CE1-CB 3.91Å; Y120-I144 HydrophobicContact CE1-CG1 3.61Å; Y120-I144 HydrophobicContact CE1-CG2 3.95Å; V142-I144 HydrophobicContact CG1-CD1 3.88Å; I144-E146 PolarHBondContact O-N 3.47Å; I144-C173 WeakPolarHBondContact CD1-O 3.34Å; I144-I186 HydrophobicContact CG2-CD1 4.2Å; I144-I186 HydrophobicContact CG2-CG2 3.76Å
145	T	98.7	Very high	98.4	Very high	15 Å²	15	46.3 Å²	46.3	9%	0.092	24%	0.241	C	C	.	.			trans	-51.3	120.3	-171.5	-50.4	0	0	0	0	112.8	V121 P123 A126 I148 P171 N172	V121-T145 WeakPolarHBondContact O-CB 3.44Å; V121-T145 WeakPolarHBondContact O-CG2 3.25Å; V121-T145 PolarHBondContact O-OG1 2.85Å; P123-T145 HydrophobicContact CB-CG2 4.24Å; P123-T145 HydrophobicContact CG-CG2 3.85Å; A126-T145 HydrophobicContact CB-CG2 3.84Å; T145-I148 HydrophobicContact CG2-CG1 4.23Å; T145-P171 WeakPolarHBondContact O-CB 3.42Å; T145-N172 PolarHBondContact O-N 3.19Å
146	E	98.3	Very high	98.4	Very high	112 Å²	112	41.8 Å²	41.8	52%	0.523	22%	0.217	S	C	.	.	S	Bend	trans	-85.9	146.9	168.1	177.2	171.3	-154.6	0	0	110.5	P123 I144 N172	P123-E146 VanDerWaalsContact CG-O 3.24Å; P123-E146 WeakPolarHBondContact CG-O 3.2Å; I144-E146 PolarHBondContact O-N 3.47Å; E146-N172 HydrophobicContact CB-CB 4.25Å; E146-N172 WeakPolarHBondContact CB-OD1 3.27Å; E146-N172 HydrophobicContact CG-CB 4.4Å; E146-N172 WeakPolarHBondContact CG-OD1 3.33Å
147	G	97.9	Very high	98.4	Very high	50 Å²	50	45.6 Å²	45.6	52%	0.515	23%	0.23	S	C	.	.			trans	91.9	14.8	170.7	0	0	0	0	0	115.2	P123	P123-G147 WeakPolarHBondContact CB-O 3.36Å
148	I	98.5	Very high	98.3	Very high	7 Å²	7	46.1 Å²	46.1	4%	0.036	23%	0.231	C	C	.	.			trans	-62.4	132.7	169.5	-53.7	-175	0	0	0	108.5	A126 A127 I130 T145 Q150 D152 M153 P171	A126-I148 HydrophobicContact CB-CD1 3.43Å; A126-I148 VanDerWaalsContact CB-CD1 3.43Å; A126-I148 HydrophobicContact CB-CG1 3.84Å; A127-I148 HydrophobicContact CB-CG2 4.15Å; I130-I148 HydrophobicContact CD1-CD1 4.23Å; T145-I148 HydrophobicContact CG2-CG1 4.23Å; I148-Q150 PolarHBondContact O-N 3.36Å; I148-D152 HydrophobicContact CG2-CB 4.16Å; I148-M153 HydrophobicContact CB-CG 4.27Å; I148-M153 HydrophobicContact CD1-SD 4.27Å; I148-M153 HydrophobicContact CG2-CG 3.93Å; I148-M153 HydrophobicContact CG2-SD 4.19Å; I148-P171 HydrophobicContact CD1-CB 3.62Å; I148-P171 HydrophobicContact CD1-CG 4.1Å; I148-P171 HydrophobicContact CG1-CB 4.32Å
149	P	98.1	Very high	98.2	Very high	63 Å²	63	49.7 Å²	49.7	41%	0.409	24%	0.244	S	C	.	.			trans	-54.4	131.6	175.8	-26.9	35.5	0	0	0	111.9	H151 D152 M153	P149-H151 PolarHBondContact O-N 3.35Å; P149-H151 VanDerWaalsContact O-N 3.12Å; P149-D152 HydrophobicContact CB-CB 4.46Å; P149-D152 WeakPolarHBondContact O-CB 3.34Å; P149-D152 PolarHBondContact O-N 2.92Å; P149-M153 PolarHBondContact O-N 3.45Å
150	Q	97.5	Very high	98.2	Very high	70 Å²	70	47.9 Å²	47.9	33%	0.327	23%	0.232	S	C	.	.	H	α-helix	trans	-55.9	-35.7	-177.9	-64.7	-175.3	16.1	0	0	112.4	I148 D152 M153 I154 P231 F232	I148-Q150 PolarHBondContact O-N 3.36Å; Q150-D152 VanDerWaalsContact C-N 3.32Å; Q150-D152 PolarHBondContact O-N 2.9Å; Q150-M153 PolarHBondContact O-N 3.33Å; Q150-I154 WeakPolarHBondContact O-CG1 3.45Å; Q150-I154 PolarHBondContact O-N 2.96Å; Q150-P231 HydrophobicContact CG-CG 4.12Å; Q150-F232 HydrophobicContact CB-CD2 4.12Å; Q150-F232 HydrophobicContact CB-CE2 4.22Å
151	H	97.6	Very high	98	Very high	109 Å²	109	49.5 Å²	49.5	51%	0.505	24%	0.244	S	C	.	.	H	α-helix	trans	-62.8	-36	176.6	176.4	-105.8	0	0	0	113	P149 I154 R155	P149-H151 PolarHBondContact O-N 3.35Å; P149-H151 VanDerWaalsContact O-N 3.12Å; H151-I154 PolarHBondContact O-N 2.89Å; H151-R155 PolarHBondContact CE1-NE 2.88Å; H151-R155 PolarHBondContact CE1-NH2 3.44Å; H151-R155 PolarHBondContact O-N 3.38Å
152	D	98.6	Very high	97.9	Very high	43 Å²	43	53.7 Å²	53.7	23%	0.23	26%	0.264	C	S	.	.	H	α-helix	trans	-69.3	-39.3	174.7	-65.4	-19.8	0	0	0	110.4	A127 I148 P149 Q150 I154 R155 V156	A127-D152 HydrophobicContact CB-CB 3.75Å; I148-D152 HydrophobicContact CG2-CB 4.16Å; P149-D152 HydrophobicContact CB-CB 4.46Å; P149-D152 WeakPolarHBondContact O-CB 3.34Å; P149-D152 PolarHBondContact O-N 2.92Å; Q150-D152 VanDerWaalsContact C-N 3.32Å; Q150-D152 PolarHBondContact O-N 2.9Å; D152-I154 VanDerWaalsContact C-N 3.32Å; D152-I154 PolarHBondContact O-N 2.89Å; D152-R155 WeakPolarHBondContact O-CB 3.41Å; D152-R155 PolarHBondContact O-N 3.18Å; D152-R155 VanDerWaalsContact O-N 3.09Å; D152-V156 WeakPolarHBondContact O-CG2 3.46Å; D152-V156 PolarHBondContact O-N 3.39Å
153	M	98.6	Very high	97.7	Very high	2 Å²	2	55.2 Å²	55.2	1%	0.01	27%	0.271	C	S	.	.	H	α-helix	trans	-66	-30.5	174.8	-75.7	-51.4	-52	0	0	113.8	I130 I148 P149 Q150 R155 V156 R157 L168 P171 F232	I130-M153 HydrophobicContact CD1-SD 4.04Å; I148-M153 HydrophobicContact CB-CG 4.27Å; I148-M153 HydrophobicContact CD1-SD 4.27Å; I148-M153 HydrophobicContact CG2-CG 3.93Å; I148-M153 HydrophobicContact CG2-SD 4.19Å; P149-M153 PolarHBondContact O-N 3.45Å; Q150-M153 PolarHBondContact O-N 3.33Å; M153-R155 VanDerWaalsContact C-N 3.32Å; M153-R155 PolarHBondContact O-N 3.22Å; M153-V156 HydrophobicContact CE-CB 3.88Å; M153-V156 HydrophobicContact CE-CG1 3.67Å; M153-V156 PolarHBondContact O-N 3.49Å; M153-V156 HydrophobicContact SD-CB 4.12Å; M153-V156 HydrophobicContact SD-CG1 4.29Å; M153-V156 HydrophobicContact SD-CG2 4.12Å; M153-R157 WeakPolarHBondContact O-CB 3.4Å; M153-R157 VanDerWaalsContact O-CG 3.26Å; M153-R157 WeakPolarHBondContact O-CG 3.33Å; M153-R157 PolarHBondContact O-N 3.09Å; M153-L168 HydrophobicContact CE-CD2 3.97Å; M153-P171 HydrophobicContact CE-CG 4Å; M153-P171 HydrophobicContact CG-CG 3.84Å; M153-P171 HydrophobicContact SD-CG 3.65Å; M153-F232 HydrophobicContact CB-CB 3.92Å; M153-F232 WeakPolarHBondContact CE-O 3.27Å
154	I	97.9	Very high	97.6	Very high	82 Å²	82	58.7 Å²	58.7	42%	0.421	30%	0.295	S	S	.	.	H	α-helix	trans	-61.9	-41.4	170.2	-68.4	167.9	0	0	0	110.7	Q150 H151 D152 R157 K158 F232	Q150-I154 WeakPolarHBondContact O-CG1 3.45Å; Q150-I154 PolarHBondContact O-N 2.96Å; H151-I154 PolarHBondContact O-N 2.89Å; D152-I154 VanDerWaalsContact C-N 3.32Å; D152-I154 PolarHBondContact O-N 2.89Å; I154-R157 PolarHBondContact O-N 3.5Å; I154-K158 PolarHBondContact O-N 3.38Å; I154-F232 HydrophobicContact CD1-CE1 4.47Å; I154-F232 HydrophobicContact CD1-CE2 4.05Å; I154-F232 HydrophobicContact CD1-CZ 4.02Å; I154-F232 HydrophobicContact CG1-CD1 4.13Å; I154-F232 HydrophobicContact CG1-CD2 4.06Å; I154-F232 HydrophobicContact CG1-CE1 4.1Å; I154-F232 HydrophobicContact CG1-CE2 4.05Å; I154-F232 HydrophobicContact CG1-CG 4.11Å; I154-F232 HydrophobicContact CG1-CZ 4.06Å
155	R	98.2	Very high	97.5	Very high	142 Å²	142	59.3 Å²	59.3	54%	0.536	30%	0.304	S	S	.	.	H	α-helix	trans	-67	-40.3	176.3	-64.6	169	171.6	-164.4	-9.2	111.8	H151 D152 M153 K158 R159	H151-R155 PolarHBondContact CE1-NE 2.88Å; H151-R155 PolarHBondContact CE1-NH2 3.44Å; H151-R155 PolarHBondContact O-N 3.38Å; D152-R155 WeakPolarHBondContact O-CB 3.41Å; D152-R155 PolarHBondContact O-N 3.18Å; D152-R155 VanDerWaalsContact O-N 3.09Å; M153-R155 VanDerWaalsContact C-N 3.32Å; M153-R155 PolarHBondContact O-N 3.22Å; R155-K158 PolarHBondContact O-N 3.32Å; R155-R159 PolarHBondContact O-N 3.43Å; R155-R159 VanDerWaalsContact O-N 3.13Å
156	V	98.5	Very high	97.5	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-58.9	-49.1	171.3	170.8	0	0	0	0	111	A127 I130 D152 M153 K158 R159 L160 L168	A127-V156 HydrophobicContact CB-CG2 4.27Å; I130-V156 HydrophobicContact CB-CG2 4.5Å; I130-V156 HydrophobicContact CD1-CG1 4.5Å; I130-V156 HydrophobicContact CG2-CG1 3.63Å; I130-V156 HydrophobicContact CG2-CG2 4.35Å; D152-V156 WeakPolarHBondContact O-CG2 3.46Å; D152-V156 PolarHBondContact O-N 3.39Å; M153-V156 HydrophobicContact CE-CB 3.88Å; M153-V156 HydrophobicContact CE-CG1 3.67Å; M153-V156 PolarHBondContact O-N 3.49Å; M153-V156 HydrophobicContact SD-CB 4.12Å; M153-V156 HydrophobicContact SD-CG1 4.29Å; M153-V156 HydrophobicContact SD-CG2 4.12Å; V156-K158 VanDerWaalsContact C-N 3.31Å; V156-K158 PolarHBondContact O-N 3Å; V156-R159 PolarHBondContact O-N 3.36Å; V156-L160 HydrophobicContact CG1-CD1 3.78Å; V156-L160 HydrophobicContact CG1-CG 4.22Å; V156-L160 WeakPolarHBondContact O-CG 3.21Å; V156-L160 PolarHBondContact O-N 2.99Å; V156-L168 HydrophobicContact CG1-CD2 3.86Å
157	R	97.5	Very high	97.6	Very high	83 Å²	83	53.3 Å²	53.3	31%	0.313	27%	0.274	S	S	.	.	H	α-helix	trans	-57.2	-42.2	176.9	-73.5	-67.7	-62.6	171.7	2.2	112.4	M153 I154 L160 S161 F232 N233 G234	M153-R157 WeakPolarHBondContact O-CB 3.4Å; M153-R157 VanDerWaalsContact O-CG 3.26Å; M153-R157 WeakPolarHBondContact O-CG 3.33Å; M153-R157 PolarHBondContact O-N 3.09Å; I154-R157 PolarHBondContact O-N 3.5Å; R157-L160 PolarHBondContact O-N 2.98Å; R157-S161 PolarHBondContact O-N 3.41Å; R157-S161 PolarHBondContact O-OG 3.49Å; R157-F232 HydrophobicContact CG-CB 4.3Å; R157-N233 WeakPolarHBondContact CD-O 3.28Å; R157-N233 PolarHBondContact NE-O 3.37Å; R157-N233 PolarHBondContact NH1-O 3.47Å; R157-G234 PolarHBondContact NH1-O 2.88Å
158	K	97.2	Very high	97.6	Very high	129 Å²	129	50.9 Å²	50.9	56%	0.561	25%	0.25	S	C	*	.	H	α-helix	trans	-57.7	-53	175.1	-177.4	-177.5	175.7	-175.7	0	110.8	I154 R155 V156 L160 S161 E162	I154-K158 PolarHBondContact O-N 3.38Å; R155-K158 PolarHBondContact O-N 3.32Å; V156-K158 VanDerWaalsContact C-N 3.31Å; V156-K158 PolarHBondContact O-N 3Å; K158-L160 VanDerWaalsContact C-N 3.34Å; K158-L160 PolarHBondContact O-N 2.81Å; K158-S161 PolarHBondContact O-N 3.32Å; K158-S161 VanDerWaalsContact O-N 3.14Å; K158-S161 PolarHBondContact O-OG 3.27Å; K158-E162 WeakPolarHBondContact CE-OE1 3.25Å; K158-E162 WeakPolarHBondContact O-CG 3.42Å; K158-E162 PolarHBondContact O-N 3.4Å
159	R	96.8	Very high	97.6	Very high	74 Å²	74	50.6 Å²	50.6	28%	0.279	25%	0.248	S	C	.	.	H	α-helix	trans	-61.4	-41.1	179.3	-74	-162	58.6	-152.2	-6.9	112.4	H131 I134 D135 R155 V156 S161 E162 Q163	H131-R159 VanDerWaalsContact CB-NH1 3.33Å; H131-R159 WeakPolarHBondContact ND1-CD 3.45Å; H131-R159 PolarHBondContact ND1-NH1 2.87Å; H131-R159 PolarHBondContact O-NH1 2.88Å; I134-R159 HydrophobicContact CD1-CB 4.48Å; D135-R159 IonicContact OD1-CZ 3.43Å; D135-R159 IonicContact OD1-NH1 2.81Å; D135-R159 PolarHBondContact OD1-NH1 2.72Å; D135-R159 IonicContact OD1-NH2 3.87Å; D135-R159 PolarHBondContact OD1-NH2 3.21Å; D135-R159 IonicContact OD2-CZ 3.63Å; D135-R159 IonicContact OD2-NH1 3.88Å; D135-R159 PolarHBondContact OD2-NH1 3.23Å; D135-R159 IonicContact OD2-NH2 2.88Å; D135-R159 PolarHBondContact OD2-NH2 3.31Å; R155-R159 PolarHBondContact O-N 3.43Å; R155-R159 VanDerWaalsContact O-N 3.13Å; V156-R159 PolarHBondContact O-N 3.36Å; R159-S161 VanDerWaalsContact C-N 3.29Å; R159-S161 PolarHBondContact O-N 2.97Å; R159-E162 PolarHBondContact O-N 3.38Å; R159-E162 VanDerWaalsContact O-N 3.15Å; R159-Q163 VanDerWaalsContact O-CG 3.32Å; R159-Q163 WeakPolarHBondContact O-CG 3.29Å
160	L	97.4	Very high	97.7	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-58.9	-40.7	175.5	-72.3	169.7	0	0	0	112	Y44 I134 V156 R157 K158 E162 Q163 L168	Y44-L160 HydrophobicContact CD2-CB 4.23Å; Y44-L160 WeakPolarHBondContact CD2-O 3.43Å; Y44-L160 HydrophobicContact CE1-CB 4.44Å; Y44-L160 HydrophobicContact CE2-CB 3.81Å; Y44-L160 HydrophobicContact CE2-CD2 3.78Å; Y44-L160 HydrophobicContact CE2-CG 4.28Å; I134-L160 HydrophobicContact CD1-CD2 3.61Å; I134-L160 HydrophobicContact CD1-CG 3.95Å; I134-L160 HydrophobicContact CG1-CD2 4Å; V156-L160 HydrophobicContact CG1-CD1 3.78Å; V156-L160 HydrophobicContact CG1-CG 4.22Å; V156-L160 WeakPolarHBondContact O-CG 3.21Å; V156-L160 PolarHBondContact O-N 2.99Å; R157-L160 PolarHBondContact O-N 2.98Å; K158-L160 VanDerWaalsContact C-N 3.34Å; K158-L160 PolarHBondContact O-N 2.81Å; L160-E162 PolarHBondContact O-N 3.44Å; L160-Q163 PolarHBondContact O-NE2 2.74Å; L160-L168 HydrophobicContact CD1-CB 3.82Å; L160-L168 HydrophobicContact CD1-CD2 3.67Å; L160-L168 HydrophobicContact CD1-CG 4.38Å; L160-L168 HydrophobicContact CD2-CB 4.01Å
161	S	95.7	Very high	97.7	Very high	39 Å²	39	44.2 Å²	44.2	27%	0.273	21%	0.213	S	C	.	.	H	α-helix	trans	-71.5	-11.3	179	73.3	0	0	0	0	114.8	R40 R157 K158 R159	R40-S161 CarbonylContact C-O 3.59Å; R40-S161 WeakPolarHBondContact CB-O 3.46Å; R157-S161 PolarHBondContact O-N 3.41Å; R157-S161 PolarHBondContact O-OG 3.49Å; K158-S161 PolarHBondContact O-N 3.32Å; K158-S161 VanDerWaalsContact O-N 3.14Å; K158-S161 PolarHBondContact O-OG 3.27Å; R159-S161 VanDerWaalsContact C-N 3.29Å; R159-S161 PolarHBondContact O-N 2.97Å
162	E	95.5	Very high	97.8	Very high	87 Å²	87	39.8 Å²	39.8	41%	0.407	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.1	8.2	-177.2	-69.3	175.4	155.2	0	0	112.5	R40 K158 R159 L160	R40-E162 IonicContact CZ-OE1 3.36Å; R40-E162 IonicContact NH1-OE1 3.34Å; R40-E162 PolarHBondContact NH1-OE1 3.31Å; K158-E162 WeakPolarHBondContact CE-OE1 3.25Å; K158-E162 WeakPolarHBondContact O-CG 3.42Å; K158-E162 PolarHBondContact O-N 3.4Å; R159-E162 PolarHBondContact O-N 3.38Å; R159-E162 VanDerWaalsContact O-N 3.15Å; L160-E162 PolarHBondContact O-N 3.44Å
163	Q	95.7	Very high	97.8	Very high	33 Å²	33	38 Å²	38	15%	0.154	18%	0.184	C	C	.	.			trans	-143	167.4	-176.1	63.5	77.6	40.1	0	0	112.1	Y44 I134 R159 L160 S166	Y44-Q163 VanDerWaalsContact CD2-NE2 3.31Å; I134-Q163 HydrophobicContact CG2-CG 4.08Å; R159-Q163 VanDerWaalsContact O-CG 3.32Å; R159-Q163 WeakPolarHBondContact O-CG 3.29Å; L160-Q163 PolarHBondContact O-NE2 2.74Å; Q163-S166 PolarHBondContact NE2-O 2.61Å
164	S	96.6	Very high	97.8	Very high	73 Å²	73	38.3 Å²	38.3	51%	0.51	19%	0.186	S	C	.	.	S	Bend	trans	-135.3	17.1	-175	64	0	0	0	0	114.4	C43 T47	C43-S164 WeakPolarHBondContact O-CB 3.13Å; T47-S164 VanDerWaalsContact CG2-O 3.26Å; T47-S164 WeakPolarHBondContact CG2-O 3.35Å
165	A	97.8	Very high	97.8	Very high	33 Å²	33	34.5 Å²	34.5	27%	0.273	17%	0.166	S	C	.	.	S	Bend	trans	-101.5	-48.8	-178.6	0	0	0	0	0	112.2	N50 Q137 P139	N50-A165 PolarHBondContact ND2-O 3.06Å; Q137-A165 HydrophobicContact CB-CB 3.91Å; Q137-A165 HydrophobicContact CG-CB 4.14Å; P139-A165 WeakPolarHBondContact CA-O 3.4Å
166	S	98.6	Very high	97.8	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.141	C	C	.	.			trans	-101.1	133.8	-170.8	-63	0	0	0	0	111.7	Y44 I138 P139 Q163	Y44-S166 WeakPolarHBondContact CE2-O 3.48Å; I138-S166 WeakPolarHBondContact O-CA 3.26Å; I138-S166 WeakPolarHBondContact O-CB 3.27Å; I138-S166 PolarHBondContact O-OG 3.25Å; P139-S166 CarbonylContact O-C 3.39Å; Q163-S166 PolarHBondContact NE2-O 2.61Å
167	R	98.8	Very high	97.8	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	136.3	167.3	174	50.4	53.6	162.1	9.8	108.7	Y44 T47 N50 I51 P139 L140 I141 G234 T235 D239	Y44-R167 PolarHBondContact O-NH2 3.11Å; T47-R167 PolarHBondContact OG1-NE 3.48Å; T47-R167 PolarHBondContact OG1-NH2 3.37Å; N50-R167 HydrophobicContact CB-CB 4.02Å; I51-R167 HydrophobicContact CD1-CG 4.35Å; I51-R167 HydrophobicContact CG1-CG 3.84Å; P139-R167 PolarHBondContact O-N 3.42Å; L140-R167 HydrophobicContact CD1-CB 4.36Å; L140-R167 HydrophobicContact CD1-CG 4.22Å; I141-R167 PolarHBondContact N-O 2.87Å; R167-G234 PolarHBondContact NH1-O 3.11Å; R167-T235 WeakPolarHBondContact CD-OG1 3.41Å; R167-D239 IonicContact CZ-OD2 3.54Å; R167-D239 IonicContact NH1-OD1 2.58Å; R167-D239 IonicContact NH1-OD2 3.38Å; R167-D239 PolarHBondContact NH1-OD2 3.26Å
168	L	98.9	Very high	97.9	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	130.7	176.8	171.5	70.9	0	0	0	110	Y44 I130 I141 C143 M153 V156 L160 G234 T235	Y44-L168 PolarHBondContact OH-N 3.34Å; Y44-L168 VanDerWaalsContact OH-N 3.11Å; I130-L168 HydrophobicContact CD1-CD1 4.36Å; I130-L168 HydrophobicContact CD1-CD2 4.31Å; I130-L168 HydrophobicContact CG1-CD1 4.32Å; I130-L168 HydrophobicContact CG2-CD1 4.27Å; I130-L168 HydrophobicContact CG2-CD2 4.18Å; I141-L168 HydrophobicContact CB-CD1 4Å; I141-L168 HydrophobicContact CG2-CD1 3.66Å; I141-L168 CarbonylContact O-C 3.58Å; I141-L168 VanDerWaalsContact O-CA 3.32Å; I141-L168 WeakPolarHBondContact O-CA 3.5Å; C143-L168 HydrophobicContact CB-CD1 4.05Å; M153-L168 HydrophobicContact CE-CD2 3.97Å; V156-L168 HydrophobicContact CG1-CD2 3.86Å; L160-L168 HydrophobicContact CD1-CB 3.82Å; L160-L168 HydrophobicContact CD1-CD2 3.67Å; L160-L168 HydrophobicContact CD1-CG 4.38Å; L160-L168 HydrophobicContact CD2-CB 4.01Å; L168-G234 CarbonylContact O-C 3.6Å; L168-G234 WeakPolarHBondContact O-CA 3.31Å; L168-T235 WeakPolarHBondContact O-CB 3.3Å; L168-T235 PolarHBondContact O-N 3.19Å; L168-T235 PolarHBondContact O-OG1 2.94Å
169	I	98.9	Very high	97.9	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	135.2	164.8	-60.8	173.1	0	0	0	107.9	L140 I141 V142 C143 I176 V225 G226	L140-I169 HydrophobicContact CD1-CD1 3.84Å; L140-I169 HydrophobicContact CD1-CG1 4.15Å; I141-I169 PolarHBondContact O-N 2.82Å; V142-I169 HydrophobicContact CG2-CB 4.41Å; V142-I169 HydrophobicContact CG2-CD1 4.47Å; C143-I169 PolarHBondContact N-O 2.7Å; I169-I176 HydrophobicContact CD1-CB 4.02Å; I169-I176 HydrophobicContact CD1-CD1 3.73Å; I169-I176 HydrophobicContact CD1-CG1 4.46Å; I169-I176 HydrophobicContact CD1-CG2 3.99Å; I169-V225 HydrophobicContact CD1-CG1 4.01Å; I169-V225 HydrophobicContact CG1-CG1 4.49Å; I169-V225 HydrophobicContact CG2-CG1 4.2Å; I169-G226 WeakPolarHBondContact CG2-O 3.33Å
170	G	98.7	Very high	97.9	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.129	C	C	.	.			trans	87.5	-164.7	-170.9	0	0	0	0	0	113.6	I227 N233 G234	G170-I227 WeakPolarHBondContact CA-O 3.3Å; G170-I227 PolarHBondContact N-O 3.35Å; G170-N233 CarbonylContact O-C 3.54Å; G170-N233 VanDerWaalsContact O-CA 3.29Å; G170-N233 WeakPolarHBondContact O-CA 3.3Å; G170-N233 VanDerWaalsContact O-CB 3.28Å; G170-N233 WeakPolarHBondContact O-CB 3.22Å; G170-G234 PolarHBondContact O-N 2.57Å
171	P	98.8	Very high	97.9	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.143	C	C	.	.	S	Bend	cis	-74.8	-170.7	11.7	36	-41.8	0	0	0	113.6	C143 T145 I148 M153 C173 D230	C143-P171 HydrophobicContact CB-CB 4.19Å; C143-P171 VanDerWaalsContact O-CA 3.29Å; C143-P171 WeakPolarHBondContact O-CA 3.3Å; T145-P171 WeakPolarHBondContact O-CB 3.42Å; I148-P171 HydrophobicContact CD1-CB 3.62Å; I148-P171 HydrophobicContact CD1-CG 4.1Å; I148-P171 HydrophobicContact CG1-CB 4.32Å; M153-P171 HydrophobicContact CE-CG 4Å; M153-P171 HydrophobicContact CG-CG 3.84Å; M153-P171 HydrophobicContact SD-CG 3.65Å; P171-C173 PolarHBondContact O-N 3.42Å; P171-D230 HydrophobicContact CG-CB 4.24Å; P171-D230 WeakPolarHBondContact CG-OD2 3.26Å
172	N	98.7	Very high	98.1	Very high	16 Å²	16	23.2 Å²	23.2	9%	0.086	13%	0.131	C	C	.	.	S	Bend	trans	52	52.5	177.7	-169.9	10.4	0	0	0	112.5	T145 E146 G228 G229 D230	T145-N172 PolarHBondContact O-N 3.19Å; E146-N172 HydrophobicContact CB-CB 4.25Å; E146-N172 WeakPolarHBondContact CB-OD1 3.27Å; E146-N172 HydrophobicContact CG-CB 4.4Å; E146-N172 WeakPolarHBondContact CG-OD1 3.33Å; N172-G228 CarbonylContact O-C 3.55Å; N172-G228 WeakPolarHBondContact O-CA 3.12Å; N172-G229 PolarHBondContact O-N 3.37Å; N172-D230 HydrophobicContact CB-CB 4.23Å; N172-D230 VanDerWaalsContact CB-CG 3.45Å; N172-D230 VanDerWaalsContact CB-OD1 3.28Å; N172-D230 WeakPolarHBondContact CB-OD1 3.38Å; N172-D230 PolarHBondContact ND2-OD1 3.41Å
173	C	98.7	Very high	98.2	Very high	5 Å²	5	19.1 Å²	19.1	3%	0.034	11%	0.112	C	C	.	.	S	Bend	trans	-135.9	156	-172.9	82.4	0	0	0	0	112.4	C143 I144 P171 G175 G226	C143-C173 PolarHBondContact O-SG 2.9Å; I144-C173 WeakPolarHBondContact CD1-O 3.34Å; P171-C173 PolarHBondContact O-N 3.42Å; C173-G175 PolarHBondContact O-N 2.92Å; C173-G226 VanDerWaalsContact CB-O 3.25Å; C173-G226 WeakPolarHBondContact CB-O 3.32Å
174	P	98.5	Very high	98.3	Very high	9 Å²	9	17.6 Å²	17.6	6%	0.058	11%	0.105	C	C	.	.			trans	-75.2	-14.6	175.6	34.2	-39.6	0	0	0	112.7	G185 I186 M187	P174-G185 CarbonylContact O-C 3.49Å; P174-G185 WeakPolarHBondContact O-CA 3.29Å; P174-I186 HydrophobicContact CB-CG1 4.22Å; P174-I186 PolarHBondContact O-N 2.63Å; P174-M187 WeakPolarHBondContact O-CE 3.27Å
175	G	98.7	Very high	98.4	Very high	1 Å²	1	14.1 Å²	14.1	1%	0.01	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	99.3	-150.9	-175.8	0	0	0	0	0	113.8	C173 I184 M187 G226	C173-G175 PolarHBondContact O-N 2.92Å; G175-I184 CarbonylContact C-O 3.32Å; G175-I184 VanDerWaalsContact CA-O 3.27Å; G175-I184 WeakPolarHBondContact CA-O 3.04Å; G175-M187 VanDerWaalsContact C-CE 3.5Å; G175-G226 PolarHBondContact O-N 3.39Å
176	I	98.8	Very high	98.5	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	143.6	-173.5	-177.4	170.1	0	0	0	110.8	I51 L53 L140 V142 I169 I184 L223 C224 V225	I51-I176 HydrophobicContact CG2-CD1 3.74Å; I51-I176 WeakPolarHBondContact O-CD1 3.26Å; L53-I176 HydrophobicContact CD1-CB 4.42Å; L53-I176 HydrophobicContact CD1-CD1 4.26Å; L53-I176 HydrophobicContact CD1-CG1 3.82Å; L53-I176 HydrophobicContact CD1-CG2 4.06Å; L53-I176 HydrophobicContact CD2-CG2 4.48Å; L53-I176 HydrophobicContact CG-CD1 4.09Å; L53-I176 HydrophobicContact CG-CG1 4.2Å; L140-I176 HydrophobicContact CD2-CG2 4.45Å; V142-I176 HydrophobicContact CG2-CG2 3.95Å; I169-I176 HydrophobicContact CD1-CB 4.02Å; I169-I176 HydrophobicContact CD1-CD1 3.73Å; I169-I176 HydrophobicContact CD1-CG1 4.46Å; I169-I176 HydrophobicContact CD1-CG2 3.99Å; I176-I184 HydrophobicContact CG2-CB 3.96Å; I176-I184 HydrophobicContact CG2-CD1 4.41Å; I176-I184 HydrophobicContact CG2-CG1 4.48Å; I176-I184 PolarHBondContact N-O 2.82Å; I176-I184 PolarHBondContact O-N 3.13Å; I176-L223 HydrophobicContact CD1-CD1 4.04Å; I176-L223 HydrophobicContact CD1-CD2 4.42Å; I176-L223 HydrophobicContact CD1-CG 4.46Å; I176-L223 HydrophobicContact CG1-CD1 3.95Å; I176-C224 VanDerWaalsContact CA-O 3.31Å; I176-C224 WeakPolarHBondContact CA-O 3.27Å; I176-C224 WeakPolarHBondContact CG1-O 3.47Å; I176-V225 HydrophobicContact CD1-CG1 4.44Å; I176-V225 HydrophobicContact CD1-CG2 3.79Å; I176-V225 HydrophobicContact CG1-CG2 4.05Å
177	I	98.8	Very high	98.5	Very high	1 Å²	1	15.8 Å²	15.8	1%	0.005	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	132.6	178.6	-175.6	169.6	0	0	0	111.4	Y79 C182 K183 M187 A189 H192 C224	Y79-I177 HydrophobicContact CE1-CD1 4.19Å; Y79-I177 HydrophobicContact CE1-CG1 4.5Å; I177-C182 WeakPolarHBondContact CA-O 3.47Å; I177-K183 HydrophobicContact CD1-CB 4.02Å; I177-K183 HydrophobicContact CD1-CD 4.15Å; I177-K183 HydrophobicContact CD1-CG 4.19Å; I177-K183 HydrophobicContact CG1-CB 4.05Å; I177-M187 HydrophobicContact CB-CE 4.26Å; I177-M187 HydrophobicContact CB-CG 4.22Å; I177-M187 HydrophobicContact CB-SD 4.07Å; I177-M187 HydrophobicContact CD1-CG 4.1Å; I177-M187 HydrophobicContact CD1-SD 4.45Å; I177-M187 HydrophobicContact CG2-CE 4.32Å; I177-M187 HydrophobicContact CG2-CG 3.97Å; I177-M187 HydrophobicContact CG2-SD 4.37Å; I177-A189 HydrophobicContact CD1-CB 4.3Å; I177-H192 HydrophobicContact CD1-CB 4.42Å; I177-H192 WeakPolarHBondContact CG2-NE2 3.13Å; I177-C224 HydrophobicContact CG2-CB 3.78Å; I177-C224 PolarHBondContact N-O 2.99Å; I177-C224 PolarHBondContact O-N 3.14Å
178	K	98.5	Very high	98.4	Very high	59 Å²	59	17.5 Å²	17.5	26%	0.257	10%	0.095	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	112.1	162	-178.1	168.7	-178.5	169.1	0	107.3	L53 D180 V181 C182 L223	L53-K178 HydrophobicContact CB-CB 3.96Å; L53-K178 HydrophobicContact CB-CD 4.45Å; L53-K178 HydrophobicContact CD1-CB 4.35Å; L53-K178 WeakPolarHBondContact O-CD 3.46Å; L53-K178 PolarHBondContact O-NZ 2.7Å; L53-K178 VanDerWaalsContact O-NZ 3.11Å; K178-D180 PolarHBondContact O-N 2.91Å; K178-V181 HydrophobicContact CB-CB 4.16Å; K178-V181 HydrophobicContact CD-CB 4.04Å; K178-V181 HydrophobicContact CD-CG1 4.11Å; K178-V181 HydrophobicContact CD-CG2 4.16Å; K178-V181 HydrophobicContact CG-CB 3.85Å; K178-V181 HydrophobicContact CG-CG1 4.43Å; K178-V181 HydrophobicContact CG-CG2 4.02Å; K178-V181 PolarHBondContact O-N 2.64Å; K178-V181 VanDerWaalsContact O-N 3.09Å; K178-C182 PolarHBondContact N-O 3.28Å; K178-C182 PolarHBondContact O-N 3.22Å; K178-L223 HydrophobicContact CB-CD1 3.95Å
179	P	98.3	Very high	98.3	Very high	5 Å²	5	18.1 Å²	18.1	3%	0.032	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	137	-172.4	-26.6	35.9	0	0	0	112.2	V181 H192 K193 P194 Q221	P179-V181 PolarHBondContact O-N 3.13Å; P179-V181 VanDerWaalsContact O-N 3.08Å; P179-H192 HydrophobicContact CB-CB 4.07Å; P179-H192 HydrophobicContact CG-CB 3.93Å; P179-K193 VanDerWaalsContact CB-C 3.5Å; P179-P194 HydrophobicContact CB-CG 4.14Å; P179-Q221 HydrophobicContact CG-CB 4.1Å; P179-Q221 WeakPolarHBondContact CG-O 3.28Å
180	D	96.7	Very high	98.1	Very high	114 Å²	114	25.9 Å²	25.9	61%	0.61	14%	0.136	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.1	10.9	-177.1	-59.4	-12.8	0	0	0	115.8	Y79 K178 P194	Y79-D180 PolarHBondContact OH-N 3.35Å; K178-D180 PolarHBondContact O-N 2.91Å; D180-P194 HydrophobicContact CB-CG 3.79Å; D180-P194 WeakPolarHBondContact OD2-CD 3.49Å; D180-P194 WeakPolarHBondContact OD2-CG 3.14Å
181	V	97.4	Very high	98.1	Very high	48 Å²	48	27.5 Å²	27.5	29%	0.291	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.3	-59.2	-179.3	179.4	0	0	0	0	111.7	D55 K178 P179	D55-V181 HydrophobicContact CB-CG1 4.14Å; D55-V181 VanDerWaalsContact N-CG1 3.28Å; K178-V181 HydrophobicContact CB-CB 4.16Å; K178-V181 HydrophobicContact CD-CB 4.04Å; K178-V181 HydrophobicContact CD-CG1 4.11Å; K178-V181 HydrophobicContact CD-CG2 4.16Å; K178-V181 HydrophobicContact CG-CB 3.85Å; K178-V181 HydrophobicContact CG-CG1 4.43Å; K178-V181 HydrophobicContact CG-CG2 4.02Å; K178-V181 PolarHBondContact O-N 2.64Å; K178-V181 VanDerWaalsContact O-N 3.09Å; P179-V181 PolarHBondContact O-N 3.13Å; P179-V181 VanDerWaalsContact O-N 3.08Å
182	C	98	Very high	98.1	Very high	3 Å²	3	27.9 Å²	27.9	2%	0.02	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	132.8	-172.9	-177.9	0	0	0	0	111.2	L53 I177 K178	L53-C182 HydrophobicContact CB-CB 4.14Å; L53-C182 HydrophobicContact CD1-CB 4.08Å; I177-C182 WeakPolarHBondContact CA-O 3.47Å; K178-C182 PolarHBondContact N-O 3.28Å; K178-C182 PolarHBondContact O-N 3.22Å
183	K	98.4	Very high	98.1	Very high	2 Å²	2	33 Å²	33	1%	0.009	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	119.2	177.9	167.4	173.9	153.2	56.3	0	110.2	Y79 T81 I177 G185 M187 A189	Y79-K183 HydrophobicContact CD1-CB 3.34Å; Y79-K183 HydrophobicContact CD1-CD 4.17Å; Y79-K183 HydrophobicContact CD1-CG 4.36Å; Y79-K183 HydrophobicContact CE1-CB 3.57Å; Y79-K183 HydrophobicContact CG-CB 4.24Å; Y79-K183 HydrophobicContact CG-CD 4.29Å; T81-K183 PolarHBondContact OG1-N 2.97Å; T81-K183 PolarHBondContact OG1-O 2.79Å; I177-K183 HydrophobicContact CD1-CB 4.02Å; I177-K183 HydrophobicContact CD1-CD 4.15Å; I177-K183 HydrophobicContact CD1-CG 4.19Å; I177-K183 HydrophobicContact CG1-CB 4.05Å; K183-G185 PolarHBondContact NZ-O 3.24Å; K183-M187 HydrophobicContact CD-SD 3.94Å; K183-M187 WeakPolarHBondContact CE-O 3.48Å; K183-M187 HydrophobicContact CG-SD 3.61Å; K183-M187 PolarHBondContact NZ-O 2.85Å; K183-M187 PolarHBondContact NZ-SD 2.88Å; K183-A189 HydrophobicContact CD-CB 3.55Å
184	I	98.7	Very high	98	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	101.9	176.1	-49	179.3	0	0	0	108.6	L53 T57 L59 A116 V118 L140 V142 G175 I176	L53-I184 HydrophobicContact CD2-CD1 3.7Å; L53-I184 HydrophobicContact CD2-CG1 4.5Å; T57-I184 HydrophobicContact CG2-CD1 4.26Å; L59-I184 HydrophobicContact CD1-CD1 4.09Å; L59-I184 HydrophobicContact CD1-CG1 4.26Å; L59-I184 HydrophobicContact CD1-CG2 3.83Å; L59-I184 HydrophobicContact CD2-CG1 4.23Å; L59-I184 HydrophobicContact CD2-CG2 4.23Å; A116-I184 HydrophobicContact CB-CD1 3.86Å; V118-I184 HydrophobicContact CB-CG2 3.72Å; V118-I184 HydrophobicContact CG2-CG2 4.05Å; L140-I184 HydrophobicContact CD2-CD1 4.04Å; V142-I184 HydrophobicContact CB-CG2 3.86Å; V142-I184 HydrophobicContact CG1-CG2 4.25Å; V142-I184 HydrophobicContact CG2-CB 4.35Å; V142-I184 HydrophobicContact CG2-CG2 3.72Å; G175-I184 CarbonylContact C-O 3.32Å; G175-I184 VanDerWaalsContact CA-O 3.27Å; G175-I184 WeakPolarHBondContact CA-O 3.04Å; I176-I184 HydrophobicContact CG2-CB 3.96Å; I176-I184 HydrophobicContact CG2-CD1 4.41Å; I176-I184 HydrophobicContact CG2-CG1 4.48Å; I176-I184 PolarHBondContact N-O 2.82Å; I176-I184 PolarHBondContact O-N 3.13Å
185	G	98.6	Very high	98	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.01	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	133.2	-151.7	177.3	0	0	0	0	0	113.7	Y120 P174 K183	Y120-G185 WeakPolarHBondContact OH-CA 3.29Å; Y120-G185 PolarHBondContact OH-O 2.74Å; P174-G185 CarbonylContact O-C 3.49Å; P174-G185 WeakPolarHBondContact O-CA 3.29Å; K183-G185 PolarHBondContact NZ-O 3.24Å
186	I	98.7	Very high	98	Very high	61 Å²	61	39.5 Å²	39.5	31%	0.313	21%	0.213	S	C	.	.	S	Bend	trans	-111.9	0.2	-163.1	66.3	170.8	0	0	0	115	H72 Y120 I144 P174	H72-I186 VanDerWaalsContact CE1-CG2 3.41Å; H72-I186 WeakPolarHBondContact CE1-CG2 3.49Å; H72-I186 VanDerWaalsContact NE2-CG2 3.34Å; H72-I186 WeakPolarHBondContact NE2-CG2 3.46Å; Y120-I186 HydrophobicContact CE1-CG2 3.67Å; I144-I186 HydrophobicContact CG2-CD1 4.2Å; I144-I186 HydrophobicContact CG2-CG2 3.76Å; P174-I186 HydrophobicContact CB-CG1 4.22Å; P174-I186 PolarHBondContact O-N 2.63Å
187	M	98.5	Very high	98	Very high	6 Å²	6	39.5 Å²	39.5	3%	0.03	21%	0.213	C	C	.	.	S	Bend	trans	-63.8	146	-179.2	69.7	-65	-70.2	0	0	113.4	P174 G175 I177 K183 A189 Y208	P174-M187 WeakPolarHBondContact O-CE 3.27Å; G175-M187 VanDerWaalsContact C-CE 3.5Å; I177-M187 HydrophobicContact CB-CE 4.26Å; I177-M187 HydrophobicContact CB-CG 4.22Å; I177-M187 HydrophobicContact CB-SD 4.07Å; I177-M187 HydrophobicContact CD1-CG 4.1Å; I177-M187 HydrophobicContact CD1-SD 4.45Å; I177-M187 HydrophobicContact CG2-CE 4.32Å; I177-M187 HydrophobicContact CG2-CG 3.97Å; I177-M187 HydrophobicContact CG2-SD 4.37Å; K183-M187 HydrophobicContact CD-SD 3.94Å; K183-M187 WeakPolarHBondContact CE-O 3.48Å; K183-M187 HydrophobicContact CG-SD 3.61Å; K183-M187 PolarHBondContact NZ-O 2.85Å; K183-M187 PolarHBondContact NZ-SD 2.88Å; M187-A189 PolarHBondContact O-N 2.86Å; M187-A189 VanDerWaalsContact O-N 3.16Å; M187-Y208 WeakPolarHBondContact CA-OH 3.38Å; M187-Y208 HydrophobicContact CB-CD1 4.34Å; M187-Y208 HydrophobicContact CB-CE1 3.45Å; M187-Y208 VanDerWaalsContact CB-CE1 3.45Å
188	P	97.5	Very high	98	Very high	36 Å²	36	39.4 Å²	39.4	23%	0.234	21%	0.213	C	C	.	.			trans	-66.8	113.6	171.7	26.3	-31.3	0	0	0	109.7	H190 I191 H192 Y208	P188-H190 PolarHBondContact O-N 2.97Å; P188-I191 HydrophobicContact CB-CG1 4.5Å; P188-I191 HydrophobicContact CG-CD1 3.82Å; P188-I191 HydrophobicContact CG-CG1 4.06Å; P188-I191 VanDerWaalsContact O-CG1 3.27Å; P188-I191 WeakPolarHBondContact O-CG1 3.45Å; P188-H192 PolarHBondContact O-CE1 3.42Å; P188-H192 PolarHBondContact O-ND1 3.37Å; P188-Y208 HydrophobicContact CG-CD1 4.41Å; P188-Y208 HydrophobicContact CG-CD2 4.23Å; P188-Y208 HydrophobicContact CG-CE2 4.41Å; P188-Y208 HydrophobicContact CG-CG 4.25Å
189	A	96.3	Very high	98	Very high	13 Å²	13	36.6 Å²	36.6	11%	0.107	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-70	-35.3	-172.1	0	0	0	0	0	112.8	Y79 I177 K183 M187 I191 H192	Y79-A189 HydrophobicContact CD1-CB 4.47Å; Y79-A189 HydrophobicContact CD2-CB 3.29Å; Y79-A189 HydrophobicContact CE1-CB 4.47Å; Y79-A189 HydrophobicContact CE2-CB 3.32Å; Y79-A189 HydrophobicContact CG-CB 3.9Å; I177-A189 HydrophobicContact CD1-CB 4.3Å; K183-A189 HydrophobicContact CD-CB 3.55Å; M187-A189 PolarHBondContact O-N 2.86Å; M187-A189 VanDerWaalsContact O-N 3.16Å; A189-I191 PolarHBondContact O-N 2.9Å; A189-I191 VanDerWaalsContact O-N 3.14Å; A189-H192 WeakPolarHBondContact O-CB 3.29Å; A189-H192 PolarHBondContact O-N 2.87Å; A189-H192 PolarHBondContact O-ND1 3.41Å
190	H	95.7	Very high	98.1	Very high	163 Å²	163	36.4 Å²	36.4	76%	0.755	20%	0.199	S	C	*	.	G	3₁₀ helix	trans	-65.7	-15.9	-172.6	63.7	-91.8	0	0	0	115.6	P188 H192	P188-H190 PolarHBondContact O-N 2.97Å; H190-H192 VanDerWaalsContact C-N 3.34Å
191	I	97.7	Very high	98.2	Very high	34 Å²	34	31 Å²	31	17%	0.174	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-82.8	-14.7	175.4	62.1	164.3	0	0	0	112.8	P188 A189 Y208 V211 T215	P188-I191 HydrophobicContact CB-CG1 4.5Å; P188-I191 HydrophobicContact CG-CD1 3.82Å; P188-I191 HydrophobicContact CG-CG1 4.06Å; P188-I191 VanDerWaalsContact O-CG1 3.27Å; P188-I191 WeakPolarHBondContact O-CG1 3.45Å; A189-I191 PolarHBondContact O-N 2.9Å; A189-I191 VanDerWaalsContact O-N 3.14Å; I191-Y208 HydrophobicContact CD1-CD1 4.38Å; I191-Y208 HydrophobicContact CD1-CG 4.26Å; I191-V211 HydrophobicContact CB-CG1 4.25Å; I191-V211 HydrophobicContact CD1-CB 4.13Å; I191-V211 HydrophobicContact CD1-CG1 3.77Å; I191-V211 HydrophobicContact CG1-CG1 3.74Å; I191-V211 WeakPolarHBondContact O-CG1 3.31Å; I191-T215 PolarHBondContact O-OG1 3.18Å; I191-T215 VanDerWaalsContact O-OG1 3.08Å
192	H	98.6	Very high	98.2	Very high	8 Å²	8	29.2 Å²	29.2	4%	0.037	16%	0.159	C	C	.	.			trans	-86.4	147.4	-179	-59.4	75.3	0	0	0	110.5	I177 P179 P188 A189 H190 V211	I177-H192 HydrophobicContact CD1-CB 4.42Å; I177-H192 WeakPolarHBondContact CG2-NE2 3.13Å; P179-H192 HydrophobicContact CB-CB 4.07Å; P179-H192 HydrophobicContact CG-CB 3.93Å; P188-H192 PolarHBondContact O-CE1 3.42Å; P188-H192 PolarHBondContact O-ND1 3.37Å; A189-H192 WeakPolarHBondContact O-CB 3.29Å; A189-H192 PolarHBondContact O-N 2.87Å; A189-H192 PolarHBondContact O-ND1 3.41Å; H190-H192 VanDerWaalsContact C-N 3.34Å; H192-V211 HydrophobicContact CB-CG1 4.35Å
193	K	98.3	Very high	98.1	Very high	125 Å²	125	29.5 Å²	29.5	54%	0.543	16%	0.161	S	C	.	.			trans	-137.7	143.1	169.5	-69.6	-165.4	-177.9	179.7	0	110	P179 G195 T215 G220 Q221	P179-K193 VanDerWaalsContact CB-C 3.5Å; K193-G195 PolarHBondContact O-N 3.37Å; K193-T215 HydrophobicContact CB-CG2 4.46Å; K193-T215 HydrophobicContact CD-CG2 3.82Å; K193-T215 HydrophobicContact CG-CG2 3.89Å; K193-G220 CarbonylContact O-C 3.52Å; K193-G220 WeakPolarHBondContact O-CA 3.48Å; K193-Q221 VanDerWaalsContact N-OE1 3.08Å; K193-Q221 PolarHBondContact O-N 3Å; K193-Q221 PolarHBondContact O-OE1 2.92Å
194	P	98.4	Very high	98	Very high	73 Å²	73	30.1 Å²	30.1	47%	0.474	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.7	134	172.3	-26.4	34.8	0	0	0	111	P179 D180	P179-P194 HydrophobicContact CB-CG 4.14Å; D180-P194 HydrophobicContact CB-CG 3.79Å; D180-P194 WeakPolarHBondContact OD2-CD 3.49Å; D180-P194 WeakPolarHBondContact OD2-CG 3.14Å
195	G	98.4	Very high	97.9	Very high	26 Å²	26	34.8 Å²	34.8	27%	0.268	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-172	-154.2	-178.1	0	0	0	0	0	111.7	K193 L219 Q221 S222	K193-G195 PolarHBondContact O-N 3.37Å; G195-L219 VanDerWaalsContact CA-O 3.26Å; G195-L219 WeakPolarHBondContact CA-O 3.41Å; G195-Q221 PolarHBondContact N-O 2.83Å; G195-Q221 CarbonylContact O-C 3.5Å; G195-S222 WeakPolarHBondContact O-CA 3.42Å; G195-S222 PolarHBondContact O-N 3.36Å
196	T	98.3	Very high	97.8	Very high	51 Å²	51	36.1 Å²	36.1	31%	0.313	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	3	-167.1	63	0	0	0	0	114.9	L219 N249 T250 K251 S252	T196-L219 PolarHBondContact N-O 3.18Å; T196-L219 VanDerWaalsContact N-O 3.13Å; T196-N249 WeakPolarHBondContact CA-O 3.18Å; T196-T250 CarbonylContact O-C 3.45Å; T196-T250 WeakPolarHBondContact O-CA 3.31Å; T196-K251 HydrophobicContact CG2-CB 4.47Å; T196-K251 HydrophobicContact CG2-CG 3.89Å; T196-K251 PolarHBondContact O-N 3.28Å; T196-S252 PolarHBondContact O-N 2.91Å
197	V	98.8	Very high	97.8	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	119.1	-177.6	-171.3	0	0	0	0	111.3	I199 T214 L219 G220 Q221 S222 S252 I254 L337	V197-I199 HydrophobicContact CG1-CD1 4.5Å; V197-I199 HydrophobicContact CG1-CG1 3.95Å; V197-T214 HydrophobicContact CG1-CG2 4.38Å; V197-T214 HydrophobicContact CG2-CG2 4.21Å; V197-L219 HydrophobicContact CG2-CB 3.74Å; V197-L219 HydrophobicContact CG2-CD1 4.3Å; V197-G220 VanDerWaalsContact CB-O 3.29Å; V197-G220 WeakPolarHBondContact CB-O 3.3Å; V197-G220 WeakPolarHBondContact CG2-O 3.45Å; V197-Q221 CarbonylContact O-C 3.6Å; V197-Q221 VanDerWaalsContact O-CA 3.25Å; V197-Q221 WeakPolarHBondContact O-CA 3.48Å; V197-S222 VanDerWaalsContact C-OG 3.23Å; V197-S222 PolarHBondContact O-N 3.41Å; V197-S222 PolarHBondContact O-OG 3.42Å; V197-S252 WeakPolarHBondContact CA-O 3.05Å; V197-I254 HydrophobicContact CG1-CD1 3.75Å; V197-I254 HydrophobicContact CG1-CG1 3.79Å; V197-L337 HydrophobicContact CB-CD2 4.28Å; V197-L337 HydrophobicContact CG1-CD2 3.56Å; V197-L337 HydrophobicContact CG2-CD2 3.65Å
198	G	98.9	Very high	97.7	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	128.9	167.3	0	0	0	0	0	110.1	S222 L223 S252 I253 I254	G198-S222 WeakPolarHBondContact CA-OG 3.42Å; G198-S222 PolarHBondContact N-OG 2.81Å; G198-L223 WeakPolarHBondContact CA-O 3.28Å; G198-S252 PolarHBondContact N-O 3.07Å; G198-I253 CarbonylContact O-C 3.56Å; G198-I253 VanDerWaalsContact O-CA 3.3Å; G198-I253 WeakPolarHBondContact O-CA 3.48Å; G198-I254 PolarHBondContact O-N 3.45Å
199	I	98.9	Very high	97.8	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	125	-179.4	-52.8	-175.3	0	0	0	109.6	V197 T207 A210 V211 Q221 L223 C224 V225 I254 L256	V197-I199 HydrophobicContact CG1-CD1 4.5Å; V197-I199 HydrophobicContact CG1-CG1 3.95Å; I199-T207 HydrophobicContact CG2-CG2 4.15Å; I199-A210 HydrophobicContact CD1-CB 4.29Å; I199-V211 HydrophobicContact CD1-CG2 3.86Å; I199-Q221 HydrophobicContact CD1-CG 3.78Å; I199-Q221 HydrophobicContact CG1-CG 4.46Å; I199-L223 PolarHBondContact N-O 3.04Å; I199-C224 HydrophobicContact CB-CB 4.25Å; I199-C224 CarbonylContact O-C 3.58Å; I199-C224 WeakPolarHBondContact O-CA 3.41Å; I199-V225 PolarHBondContact O-N 3.38Å; I199-I254 WeakPolarHBondContact CA-O 3.08Å; I199-I254 HydrophobicContact CD1-CD1 4.25Å; I199-I254 HydrophobicContact CG1-CB 4.21Å; I199-I254 HydrophobicContact CG1-CD1 4.33Å; I199-I254 HydrophobicContact CG2-CB 4.35Å; I199-I254 HydrophobicContact CG2-CG2 4.44Å; I199-L256 HydrophobicContact CG2-CD1 4.41Å
200	V	98.9	Very high	97.9	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	132.3	169.7	57.4	0	0	0	0	110.1	V225 I227 F237 C240 F244 I254 L255 L256	V200-V225 WeakPolarHBondContact CA-O 3.15Å; V200-I227 HydrophobicContact CG2-CD1 4.46Å; V200-I227 HydrophobicContact CG2-CG1 4.46Å; V200-I227 HydrophobicContact CG2-CG2 3.79Å; V200-F237 HydrophobicContact CB-CD1 4.29Å; V200-F237 HydrophobicContact CG1-CD1 3.74Å; V200-F237 HydrophobicContact CG1-CE1 4.29Å; V200-F237 HydrophobicContact CG2-CD1 3.63Å; V200-F237 HydrophobicContact CG2-CE1 4.04Å; V200-C240 HydrophobicContact CB-CB 3.81Å; V200-C240 HydrophobicContact CG1-CB 4.3Å; V200-C240 HydrophobicContact CG2-CB 3.67Å; V200-F244 HydrophobicContact CB-CE2 3.85Å; V200-F244 HydrophobicContact CB-CZ 4.41Å; V200-F244 HydrophobicContact CG1-CE2 3.98Å; V200-I254 PolarHBondContact N-O 2.91Å; V200-L255 HydrophobicContact CG1-CB 4.34Å; V200-L255 HydrophobicContact CG1-CG 4.26Å; V200-L256 PolarHBondContact O-N 3.06Å
201	S	98.7	Very high	98	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	144.4	-172.3	-178	0	0	0	0	113.8	S203 T207 V225 G226 I227 L256	S201-S203 PolarHBondContact OG-N 3.48Å; S201-S203 PolarHBondContact OG-O 2.96Å; S201-T207 WeakPolarHBondContact CB-OG1 3.26Å; S201-T207 PolarHBondContact OG-OG1 3.1Å; S201-V225 PolarHBondContact N-O 3.41Å; S201-G226 CarbonylContact O-C 3.45Å; S201-G226 WeakPolarHBondContact O-CA 3.15Å; S201-I227 VanDerWaalsContact O-CG1 3.3Å; S201-I227 WeakPolarHBondContact O-CG1 3.16Å; S201-I227 PolarHBondContact O-N 2.88Å; S201-L256 WeakPolarHBondContact CA-O 3.35Å; S201-L256 WeakPolarHBondContact OG-CB 3.29Å
202	R	98.4	Very high	98	Very high	11 Å²	11	33.7 Å²	33.7	4%	0.042	18%	0.182	C	C	.	.	S	Bend	trans	-78.2	-21.1	166.2	-73.3	177.3	61.7	-177.6	-6.5	113.3	I227 G228 G229 F237 L256 E258 I259 G260 E264 H300 G302	R202-I227 HydrophobicContact CG-CD1 3.84Å; R202-I227 HydrophobicContact CG-CG1 3.94Å; R202-G228 CarbonylContact O-C 3.53Å; R202-G229 PolarHBondContact O-N 3.2Å; R202-F237 HydrophobicContact CG-CE2 4.13Å; R202-F237 HydrophobicContact CG-CZ 3.72Å; R202-L256 PolarHBondContact N-O 3.43Å; R202-L256 VanDerWaalsContact N-O 3.12Å; R202-E258 HydrophobicContact CB-CG 4.09Å; R202-E258 IonicContact CZ-OE1 2.57Å; R202-E258 IonicContact NE-OE1 3.77Å; R202-E258 PolarHBondContact NE-OE1 3.08Å; R202-E258 IonicContact NH2-OE1 3.21Å; R202-E258 PolarHBondContact NH2-OE1 2.82Å; R202-I259 PolarHBondContact NH1-O 3.33Å; R202-I259 PolarHBondContact NH2-O 2.96Å; R202-G260 PolarHBondContact NH1-O 3.43Å; R202-E264 WeakPolarHBondContact CD-OE1 3.42Å; R202-E264 IonicContact NH1-OE1 3.48Å; R202-E264 PolarHBondContact NH1-OE1 3.45Å; R202-E264 IonicContact NH1-OE2 3.25Å; R202-H300 PolarHBondContact O-CE1 3Å; R202-G302 PolarHBondContact NH2-O 3.21Å
203	S	96.2	Very high	98	Very high	10 Å²	10	34.4 Å²	34.4	7%	0.07	19%	0.185	C	C	.	.			trans	-118	128.7	-174.3	171	0	0	0	0	113.1	S201 T205 L206 T207	S201-S203 PolarHBondContact OG-N 3.48Å; S201-S203 PolarHBondContact OG-O 2.96Å; S203-T205 PolarHBondContact OG-OG1 3.34Å; S203-L206 PolarHBondContact OG-N 2.85Å; S203-T207 PolarHBondContact O-N 2.91Å; S203-T207 VanDerWaalsContact O-N 3.13Å; S203-T207 PolarHBondContact O-OG1 3.42Å
204	G	95.5	Very high	98	Very high	14 Å²	14	28.4 Å²	28.4	14%	0.144	16%	0.159	C	C	.	.	H	α-helix	trans	-62.4	-49.4	175	0	0	0	0	0	112.9	L206 T207 Y208	G204-L206 PolarHBondContact O-N 3.16Å; G204-T207 WeakPolarHBondContact O-CA 3.16Å; G204-T207 VanDerWaalsContact O-CB 3.23Å; G204-T207 WeakPolarHBondContact O-CB 3.46Å; G204-T207 PolarHBondContact O-N 3.47Å; G204-T207 VanDerWaalsContact O-N 3.1Å; G204-Y208 WeakPolarHBondContact O-CD1 3.13Å; G204-Y208 VanDerWaalsContact O-CE1 3.24Å; G204-Y208 WeakPolarHBondContact O-CE1 3.37Å; G204-Y208 VanDerWaalsContact O-CG 3.25Å; G204-Y208 PolarHBondContact O-N 3.21Å; G204-Y208 VanDerWaalsContact O-N 3.08Å
205	T	96.2	Very high	98	Very high	99 Å²	99	26.1 Å²	26.1	61%	0.607	14%	0.143	S	C	*	.	H	α-helix	trans	-65.7	-40.5	-176.6	50.2	0	0	0	0	112.6	S203 T207 Y208 E209	S203-T205 PolarHBondContact OG-OG1 3.34Å; T205-T207 VanDerWaalsContact C-N 3.27Å; T205-T207 PolarHBondContact O-N 2.98Å; T205-Y208 PolarHBondContact O-N 3.47Å; T205-Y208 VanDerWaalsContact O-N 3.11Å; T205-E209 PolarHBondContact O-N 2.95Å; T205-E209 VanDerWaalsContact O-N 3.1Å
206	L	96.7	Very high	98	Very high	29 Å²	29	31 Å²	31	15%	0.152	16%	0.159	C	C	.	.	H	α-helix	trans	-64.8	-33	173.6	-69.6	175.7	0	0	0	112	S203 G204 Y208 E209 A210 L256 F286 A288 P330	S203-L206 PolarHBondContact OG-N 2.85Å; G204-L206 PolarHBondContact O-N 3.16Å; L206-Y208 VanDerWaalsContact C-N 3.31Å; L206-Y208 PolarHBondContact O-N 2.97Å; L206-E209 PolarHBondContact O-N 2.91Å; L206-A210 PolarHBondContact O-N 2.88Å; L206-L256 HydrophobicContact CB-CD1 4.06Å; L206-L256 VanDerWaalsContact O-CD1 3.3Å; L206-L256 WeakPolarHBondContact O-CD1 3.48Å; L206-F286 HydrophobicContact CD1-CD1 4.2Å; L206-F286 HydrophobicContact CD1-CE1 4.1Å; L206-F286 HydrophobicContact CD2-CD1 4.34Å; L206-F286 HydrophobicContact CD2-CE1 4.09Å; L206-A288 HydrophobicContact CD1-CB 3.97Å; L206-P330 HydrophobicContact CD2-CB 4.19Å
207	T	98.3	Very high	98	Very high	6 Å²	6	30.8 Å²	30.8	4%	0.037	16%	0.158	C	C	.	.	H	α-helix	trans	-60.9	-43.4	172.1	-52.1	0	0	0	0	110.5	I199 S201 S203 G204 T205 E209 A210 V211 C224	I199-T207 HydrophobicContact CG2-CG2 4.15Å; S201-T207 WeakPolarHBondContact CB-OG1 3.26Å; S201-T207 PolarHBondContact OG-OG1 3.1Å; S203-T207 PolarHBondContact O-N 2.91Å; S203-T207 VanDerWaalsContact O-N 3.13Å; S203-T207 PolarHBondContact O-OG1 3.42Å; G204-T207 WeakPolarHBondContact O-CA 3.16Å; G204-T207 VanDerWaalsContact O-CB 3.23Å; G204-T207 WeakPolarHBondContact O-CB 3.46Å; G204-T207 PolarHBondContact O-N 3.47Å; G204-T207 VanDerWaalsContact O-N 3.1Å; T205-T207 VanDerWaalsContact C-N 3.27Å; T205-T207 PolarHBondContact O-N 2.98Å; T207-E209 VanDerWaalsContact C-N 3.34Å; T207-E209 PolarHBondContact O-N 3.31Å; T207-A210 PolarHBondContact O-N 3.22Å; T207-V211 HydrophobicContact CG2-CG2 4.19Å; T207-V211 WeakPolarHBondContact O-CB 3.46Å; T207-V211 WeakPolarHBondContact O-CG2 3.44Å; T207-V211 PolarHBondContact O-N 2.91Å; T207-C224 HydrophobicContact CG2-CB 4.43Å
208	Y	98.1	Very high	97.9	Very high	55 Å²	55	34.1 Å²	34.1	22%	0.216	19%	0.192	C	C	.	.	H	α-helix	trans	-66.9	-37.2	-177.9	-51.2	-19.7	0	0	0	111.8	M187 P188 I191 G204 T205 L206 V211 F212	M187-Y208 WeakPolarHBondContact CA-OH 3.38Å; M187-Y208 HydrophobicContact CB-CD1 4.34Å; M187-Y208 HydrophobicContact CB-CE1 3.45Å; M187-Y208 VanDerWaalsContact CB-CE1 3.45Å; P188-Y208 HydrophobicContact CG-CD1 4.41Å; P188-Y208 HydrophobicContact CG-CD2 4.23Å; P188-Y208 HydrophobicContact CG-CE2 4.41Å; P188-Y208 HydrophobicContact CG-CG 4.25Å; I191-Y208 HydrophobicContact CD1-CD1 4.38Å; I191-Y208 HydrophobicContact CD1-CG 4.26Å; G204-Y208 WeakPolarHBondContact O-CD1 3.13Å; G204-Y208 VanDerWaalsContact O-CE1 3.24Å; G204-Y208 WeakPolarHBondContact O-CE1 3.37Å; G204-Y208 VanDerWaalsContact O-CG 3.25Å; G204-Y208 PolarHBondContact O-N 3.21Å; G204-Y208 VanDerWaalsContact O-N 3.08Å; T205-Y208 PolarHBondContact O-N 3.47Å; T205-Y208 VanDerWaalsContact O-N 3.11Å; L206-Y208 VanDerWaalsContact C-N 3.31Å; L206-Y208 PolarHBondContact O-N 2.97Å; Y208-V211 PolarHBondContact O-N 2.87Å; Y208-F212 WeakPolarHBondContact O-CB 3.21Å; Y208-F212 PolarHBondContact O-N 2.86Å
209	E	97.9	Very high	97.9	Very high	99 Å²	99	35.4 Å²	35.4	46%	0.463	20%	0.199	S	C	.	.	H	α-helix	trans	-60.4	-49	171.2	-74.7	-63.2	156.8	0	0	111.9	T205 L206 T207 V211 F212 Q213	T205-E209 PolarHBondContact O-N 2.95Å; T205-E209 VanDerWaalsContact O-N 3.1Å; L206-E209 PolarHBondContact O-N 2.91Å; T207-E209 VanDerWaalsContact C-N 3.34Å; T207-E209 PolarHBondContact O-N 3.31Å; E209-V211 PolarHBondContact O-N 3.32Å; E209-F212 PolarHBondContact O-N 2.9Å; E209-Q213 WeakPolarHBondContact O-CB 3.44Å; E209-Q213 VanDerWaalsContact O-CG 3.25Å; E209-Q213 WeakPolarHBondContact O-CG 3.14Å; E209-Q213 PolarHBondContact O-N 3.5Å
210	A	98.6	Very high	97.9	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-64	-40.9	178.4	0	0	0	0	0	112.5	I199 L206 T207 Q213 T214 I254 L256 I333	I199-A210 HydrophobicContact CD1-CB 4.29Å; L206-A210 PolarHBondContact O-N 2.88Å; T207-A210 PolarHBondContact O-N 3.22Å; A210-Q213 PolarHBondContact O-N 3.45Å; A210-T214 WeakPolarHBondContact O-CB 3.43Å; A210-T214 WeakPolarHBondContact O-CG2 3.38Å; A210-T214 PolarHBondContact O-N 2.88Å; A210-T214 PolarHBondContact O-OG1 3.48Å; A210-I254 HydrophobicContact CB-CD1 4.26Å; A210-I254 HydrophobicContact CB-CG2 4.4Å; A210-L256 HydrophobicContact CB-CD1 3.8Å; A210-I333 HydrophobicContact CB-CD1 4.27Å; A210-I333 HydrophobicContact CB-CG2 4.04Å
211	V	98.7	Very high	97.8	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-60.7	-50.4	174.5	167.1	0	0	0	0	110.3	I191 H192 I199 T207 Y208 E209 Q213 T214 T215 Q221	I191-V211 HydrophobicContact CB-CG1 4.25Å; I191-V211 HydrophobicContact CD1-CB 4.13Å; I191-V211 HydrophobicContact CD1-CG1 3.77Å; I191-V211 HydrophobicContact CG1-CG1 3.74Å; I191-V211 WeakPolarHBondContact O-CG1 3.31Å; H192-V211 HydrophobicContact CB-CG1 4.35Å; I199-V211 HydrophobicContact CD1-CG2 3.86Å; T207-V211 HydrophobicContact CG2-CG2 4.19Å; T207-V211 WeakPolarHBondContact O-CB 3.46Å; T207-V211 WeakPolarHBondContact O-CG2 3.44Å; T207-V211 PolarHBondContact O-N 2.91Å; Y208-V211 PolarHBondContact O-N 2.87Å; E209-V211 PolarHBondContact O-N 3.32Å; V211-Q213 PolarHBondContact O-N 2.88Å; V211-T214 PolarHBondContact O-N 3.49Å; V211-T214 PolarHBondContact O-OG1 2.96Å; V211-T214 VanDerWaalsContact O-OG1 3.1Å; V211-T215 WeakPolarHBondContact O-CB 3.27Å; V211-T215 PolarHBondContact O-N 3.32Å; V211-T215 PolarHBondContact O-OG1 3.26Å; V211-Q221 HydrophobicContact CG2-CG 4.26Å; V211-Q221 PolarHBondContact O-NE2 3.43Å; V211-Q221 VanDerWaalsContact O-NE2 3.15Å
212	F	98.2	Very high	97.8	Very high	102 Å²	102	36 Å²	36	45%	0.447	20%	0.204	S	C	.	.	H	α-helix	trans	-57.5	-50	178	177.5	-102.5	0	0	0	111	Y208 E209 T214 T215 Q216	Y208-F212 WeakPolarHBondContact O-CB 3.21Å; Y208-F212 PolarHBondContact O-N 2.86Å; E209-F212 PolarHBondContact O-N 2.9Å; F212-T214 PolarHBondContact O-N 3.25Å; F212-T215 PolarHBondContact O-N 3.39Å; F212-Q216 HydrophobicContact CD1-CG 4.18Å; F212-Q216 HydrophobicContact CD2-CG 4.36Å; F212-Q216 HydrophobicContact CE1-CG 3.79Å; F212-Q216 HydrophobicContact CE2-CG 3.99Å; F212-Q216 HydrophobicContact CG-CG 4.45Å; F212-Q216 HydrophobicContact CZ-CG 3.69Å; F212-Q216 VanDerWaalsContact O-CG 3.28Å; F212-Q216 WeakPolarHBondContact O-CG 3.34Å; F212-Q216 PolarHBondContact O-N 3.42Å
213	Q	98.6	Very high	97.9	Very high	22 Å²	22	35.7 Å²	35.7	10%	0.103	20%	0.203	C	C	.	.	H	α-helix	trans	-63.3	-42.5	-178.1	-69.7	173.6	41.6	0	0	112.9	E209 A210 V211 Q216 V217 P330 A331	E209-Q213 WeakPolarHBondContact O-CB 3.44Å; E209-Q213 VanDerWaalsContact O-CG 3.25Å; E209-Q213 WeakPolarHBondContact O-CG 3.14Å; E209-Q213 PolarHBondContact O-N 3.5Å; A210-Q213 PolarHBondContact O-N 3.45Å; V211-Q213 PolarHBondContact O-N 2.88Å; Q213-Q216 PolarHBondContact O-N 3.43Å; Q213-V217 WeakPolarHBondContact O-CG2 3.46Å; Q213-V217 PolarHBondContact O-N 3.34Å; Q213-P330 PolarHBondContact NE2-O 2.86Å; Q213-A331 PolarHBondContact OE1-O 2.89Å
214	T	98.6	Very high	98	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-69.8	-33.8	177.6	48.5	0	0	0	0	112.7	V197 A210 V211 F212 G218 L219 G220 Q221 I254 L337	V197-T214 HydrophobicContact CG1-CG2 4.38Å; V197-T214 HydrophobicContact CG2-CG2 4.21Å; A210-T214 WeakPolarHBondContact O-CB 3.43Å; A210-T214 WeakPolarHBondContact O-CG2 3.38Å; A210-T214 PolarHBondContact O-N 2.88Å; A210-T214 PolarHBondContact O-OG1 3.48Å; V211-T214 PolarHBondContact O-N 3.49Å; V211-T214 PolarHBondContact O-OG1 2.96Å; V211-T214 VanDerWaalsContact O-OG1 3.1Å; F212-T214 PolarHBondContact O-N 3.25Å; T214-G218 PolarHBondContact O-N 2.87Å; T214-L219 PolarHBondContact O-N 3.47Å; T214-G220 PolarHBondContact O-N 2.69Å; T214-Q221 PolarHBondContact OG1-NE2 3.49Å; T214-I254 HydrophobicContact CG2-CD1 3.52Å; T214-L337 HydrophobicContact CG2-CD2 4.15Å
215	T	98.3	Very high	98.1	Very high	24 Å²	24	34.7 Å²	34.7	15%	0.147	19%	0.193	C	C	.	.	H	α-helix	trans	-65.4	-42	171.4	-65.1	0	0	0	0	111.4	I191 K193 V211 F212 V217 G218 Q221	I191-T215 PolarHBondContact O-OG1 3.18Å; I191-T215 VanDerWaalsContact O-OG1 3.08Å; K193-T215 HydrophobicContact CB-CG2 4.46Å; K193-T215 HydrophobicContact CD-CG2 3.82Å; K193-T215 HydrophobicContact CG-CG2 3.89Å; V211-T215 WeakPolarHBondContact O-CB 3.27Å; V211-T215 PolarHBondContact O-N 3.32Å; V211-T215 PolarHBondContact O-OG1 3.26Å; F212-T215 PolarHBondContact O-N 3.39Å; T215-V217 VanDerWaalsContact C-N 3.31Å; T215-V217 PolarHBondContact O-N 2.87Å; T215-G218 PolarHBondContact O-N 3.22Å; T215-G218 VanDerWaalsContact O-N 3.14Å; T215-Q221 PolarHBondContact OG1-NE2 3.34Å
216	Q	97.7	Very high	98.3	Very high	129 Å²	129	30.1 Å²	30.1	60%	0.603	17%	0.165	S	C	*	.	H	α-helix	trans	-63.8	-33.4	179.6	-73	-61.1	-46.5	0	0	113.2	F212 Q213 G218	F212-Q216 HydrophobicContact CD1-CG 4.18Å; F212-Q216 HydrophobicContact CD2-CG 4.36Å; F212-Q216 HydrophobicContact CE1-CG 3.79Å; F212-Q216 HydrophobicContact CE2-CG 3.99Å; F212-Q216 HydrophobicContact CG-CG 4.45Å; F212-Q216 HydrophobicContact CZ-CG 3.69Å; F212-Q216 VanDerWaalsContact O-CG 3.28Å; F212-Q216 WeakPolarHBondContact O-CG 3.34Å; F212-Q216 PolarHBondContact O-N 3.42Å; Q213-Q216 PolarHBondContact O-N 3.43Å; Q216-G218 VanDerWaalsContact C-N 3.31Å
217	V	97.5	Very high	98.4	Very high	47 Å²	47	28.8 Å²	28.8	29%	0.285	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91	10	176.5	-58.4	0	0	0	0	113.5	Q213 T215 L219 L338	Q213-V217 WeakPolarHBondContact O-CG2 3.46Å; Q213-V217 PolarHBondContact O-N 3.34Å; T215-V217 VanDerWaalsContact C-N 3.31Å; T215-V217 PolarHBondContact O-N 2.87Å; V217-L219 HydrophobicContact CG2-CB 4.44Å; V217-L219 HydrophobicContact CG2-CD1 3.79Å; V217-L219 HydrophobicContact CG2-CG 3.91Å; V217-L219 PolarHBondContact O-N 3.13Å; V217-L338 HydrophobicContact CB-CD2 4.25Å
218	G	97.4	Very high	98.4	Very high	70 Å²	70	28.5 Å²	28.5	72%	0.722	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.1	12.5	173.3	0	0	0	0	0	115.9	T214 T215 Q216	T214-G218 PolarHBondContact O-N 2.87Å; T215-G218 PolarHBondContact O-N 3.22Å; T215-G218 VanDerWaalsContact O-N 3.14Å; Q216-G218 VanDerWaalsContact C-N 3.31Å
219	L	98.1	Very high	98.3	Very high	27 Å²	27	25.9 Å²	25.9	14%	0.141	15%	0.146	C	C	.	.			trans	-83.2	-33.4	-179.6	-69	173.6	0	0	0	113.2	G195 T196 V197 T214 V217 L337 L338 I341	G195-L219 VanDerWaalsContact CA-O 3.26Å; G195-L219 WeakPolarHBondContact CA-O 3.41Å; T196-L219 PolarHBondContact N-O 3.18Å; T196-L219 VanDerWaalsContact N-O 3.13Å; V197-L219 HydrophobicContact CG2-CB 3.74Å; V197-L219 HydrophobicContact CG2-CD1 4.3Å; T214-L219 PolarHBondContact O-N 3.47Å; V217-L219 HydrophobicContact CG2-CB 4.44Å; V217-L219 HydrophobicContact CG2-CD1 3.79Å; V217-L219 HydrophobicContact CG2-CG 3.91Å; V217-L219 PolarHBondContact O-N 3.13Å; L219-L337 HydrophobicContact CD1-CD2 4.02Å; L219-L337 HydrophobicContact CD1-CG 4.34Å; L219-L338 HydrophobicContact CD1-CB 4.44Å; L219-L338 HydrophobicContact CD1-CD1 4.38Å; L219-L338 HydrophobicContact CD2-CD1 4.21Å; L219-L338 HydrophobicContact CG-CD1 4.38Å; L219-I341 HydrophobicContact CD1-CD1 4.04Å; L219-I341 HydrophobicContact CD2-CD1 3.84Å
220	G	98.4	Very high	98.3	Very high	3 Å²	3	21.5 Å²	21.5	3%	0.031	13%	0.126	C	C	.	.			trans	59	-166.4	-173.3	0	0	0	0	0	112.9	K193 V197 T214	K193-G220 CarbonylContact O-C 3.52Å; K193-G220 WeakPolarHBondContact O-CA 3.48Å; V197-G220 VanDerWaalsContact CB-O 3.29Å; V197-G220 WeakPolarHBondContact CB-O 3.3Å; V197-G220 WeakPolarHBondContact CG2-O 3.45Å; T214-G220 PolarHBondContact O-N 2.69Å
221	Q	98.8	Very high	98.1	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.005	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	140.4	-178.1	-51.8	80.4	38.8	0	0	111.7	P179 K193 G195 V197 I199 V211 T214 T215	P179-Q221 HydrophobicContact CG-CB 4.1Å; P179-Q221 WeakPolarHBondContact CG-O 3.28Å; K193-Q221 VanDerWaalsContact N-OE1 3.08Å; K193-Q221 PolarHBondContact O-N 3Å; K193-Q221 PolarHBondContact O-OE1 2.92Å; G195-Q221 PolarHBondContact N-O 2.83Å; G195-Q221 CarbonylContact O-C 3.5Å; V197-Q221 CarbonylContact O-C 3.6Å; V197-Q221 VanDerWaalsContact O-CA 3.25Å; V197-Q221 WeakPolarHBondContact O-CA 3.48Å; I199-Q221 HydrophobicContact CD1-CG 3.78Å; I199-Q221 HydrophobicContact CG1-CG 4.46Å; V211-Q221 HydrophobicContact CG2-CG 4.26Å; V211-Q221 PolarHBondContact O-NE2 3.43Å; V211-Q221 VanDerWaalsContact O-NE2 3.15Å; T214-Q221 PolarHBondContact OG1-NE2 3.49Å; T215-Q221 PolarHBondContact OG1-NE2 3.34Å
222	S	98.6	Very high	98	Very high	9 Å²	9	27.8 Å²	27.8	6%	0.063	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	-46.8	174.5	55.6	0	0	0	0	111	G195 V197 G198 T250	G195-S222 WeakPolarHBondContact O-CA 3.42Å; G195-S222 PolarHBondContact O-N 3.36Å; V197-S222 VanDerWaalsContact C-OG 3.23Å; V197-S222 PolarHBondContact O-N 3.41Å; V197-S222 PolarHBondContact O-OG 3.42Å; G198-S222 WeakPolarHBondContact CA-OG 3.42Å; G198-S222 PolarHBondContact N-OG 2.81Å; S222-T250 WeakPolarHBondContact CB-OG1 3.43Å; S222-T250 PolarHBondContact OG-OG1 2.77Å
223	L	98.8	Very high	98	Very high	4 Å²	4	23.8 Å²	23.8	2%	0.021	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	134	178	-177.2	69.3	0	0	0	109.6	I51 L52 L53 I176 K178 G198 I199 V225 F244	I51-L223 HydrophobicContact CG2-CD2 4.11Å; L52-L223 HydrophobicContact CD2-CD2 4.19Å; L53-L223 HydrophobicContact CB-CD1 4.46Å; L53-L223 HydrophobicContact CD1-CD1 4.39Å; L53-L223 HydrophobicContact CG-CD1 4.35Å; I176-L223 HydrophobicContact CD1-CD1 4.04Å; I176-L223 HydrophobicContact CD1-CD2 4.42Å; I176-L223 HydrophobicContact CD1-CG 4.46Å; I176-L223 HydrophobicContact CG1-CD1 3.95Å; K178-L223 HydrophobicContact CB-CD1 3.95Å; G198-L223 WeakPolarHBondContact CA-O 3.28Å; I199-L223 PolarHBondContact N-O 3.04Å; L223-V225 HydrophobicContact CD2-CG2 4.17Å; L223-V225 HydrophobicContact CG-CG2 4.11Å; L223-F244 HydrophobicContact CB-CE1 4.07Å; L223-F244 HydrophobicContact CD2-CE1 4.1Å; L223-F244 HydrophobicContact CG-CE1 4.32Å
224	C	98.8	Very high	98	Very high	3 Å²	3	22.7 Å²	22.7	2%	0.02	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	124.2	175.1	-54.4	0	0	0	0	110.6	I176 I177 I199 T207	I176-C224 VanDerWaalsContact CA-O 3.31Å; I176-C224 WeakPolarHBondContact CA-O 3.27Å; I176-C224 WeakPolarHBondContact CG1-O 3.47Å; I177-C224 HydrophobicContact CG2-CB 3.78Å; I177-C224 PolarHBondContact N-O 2.99Å; I177-C224 PolarHBondContact O-N 3.14Å; I199-C224 HydrophobicContact CB-CB 4.25Å; I199-C224 CarbonylContact O-C 3.58Å; I199-C224 WeakPolarHBondContact O-CA 3.41Å; T207-C224 HydrophobicContact CG2-CB 4.43Å
225	V	98.9	Very high	98	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	111.5	-178.4	-168.7	0	0	0	0	110	I51 I169 I176 I199 V200 S201 L223 I227 F244	I51-V225 HydrophobicContact CG2-CG2 3.81Å; I169-V225 HydrophobicContact CD1-CG1 4.01Å; I169-V225 HydrophobicContact CG1-CG1 4.49Å; I169-V225 HydrophobicContact CG2-CG1 4.2Å; I176-V225 HydrophobicContact CD1-CG1 4.44Å; I176-V225 HydrophobicContact CD1-CG2 3.79Å; I176-V225 HydrophobicContact CG1-CG2 4.05Å; I199-V225 PolarHBondContact O-N 3.38Å; V200-V225 WeakPolarHBondContact CA-O 3.15Å; S201-V225 PolarHBondContact N-O 3.41Å; L223-V225 HydrophobicContact CD2-CG2 4.17Å; L223-V225 HydrophobicContact CG-CG2 4.11Å; V225-I227 HydrophobicContact CG1-CG2 4.11Å; V225-I227 PolarHBondContact O-N 3.35Å; V225-F244 HydrophobicContact CG2-CZ 4.25Å
226	G	98.8	Very high	97.9	Very high	2 Å²	2	22.7 Å²	22.7	2%	0.021	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	107.2	166	0	0	0	0	0	110	I169 C173 G175 S201 G228	I169-G226 WeakPolarHBondContact CG2-O 3.33Å; C173-G226 VanDerWaalsContact CB-O 3.25Å; C173-G226 WeakPolarHBondContact CB-O 3.32Å; G175-G226 PolarHBondContact O-N 3.39Å; S201-G226 CarbonylContact O-C 3.45Å; S201-G226 WeakPolarHBondContact O-CA 3.15Å; G226-G228 VanDerWaalsContact C-N 3.34Å
227	I	98.7	Very high	98	Very high	1 Å²	1	16.6 Å²	16.6	1%	0.005	11%	0.108	C	C	.	.			trans	-78.3	-20.8	-178.5	56.7	166.8	0	0	0	113.2	G170 V200 S201 R202 V225 T235 F237	G170-I227 WeakPolarHBondContact CA-O 3.3Å; G170-I227 PolarHBondContact N-O 3.35Å; V200-I227 HydrophobicContact CG2-CD1 4.46Å; V200-I227 HydrophobicContact CG2-CG1 4.46Å; V200-I227 HydrophobicContact CG2-CG2 3.79Å; S201-I227 VanDerWaalsContact O-CG1 3.3Å; S201-I227 WeakPolarHBondContact O-CG1 3.16Å; S201-I227 PolarHBondContact O-N 2.88Å; R202-I227 HydrophobicContact CG-CD1 3.84Å; R202-I227 HydrophobicContact CG-CG1 3.94Å; V225-I227 HydrophobicContact CG1-CG2 4.11Å; V225-I227 PolarHBondContact O-N 3.35Å; I227-T235 WeakPolarHBondContact CB-O 3.42Å; I227-T235 HydrophobicContact CG2-CG2 3.94Å; I227-F237 HydrophobicContact CD1-CD1 4.02Å; I227-F237 HydrophobicContact CD1-CD2 4.25Å; I227-F237 HydrophobicContact CD1-CE1 3.92Å; I227-F237 HydrophobicContact CD1-CE2 4.11Å; I227-F237 HydrophobicContact CD1-CG 4.19Å; I227-F237 HydrophobicContact CD1-CZ 3.96Å
228	G	98.1	Very high	98	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	10%	0.1	C	C	.	.			trans	100.7	163.5	172.4	0	0	0	0	0	115.4	N172 R202 G226	N172-G228 CarbonylContact O-C 3.55Å; N172-G228 WeakPolarHBondContact O-CA 3.12Å; R202-G228 CarbonylContact O-C 3.53Å; G226-G228 VanDerWaalsContact C-N 3.34Å
229	G	97.3	Very high	98.1	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.067	C	C	.	.	S	Bend	trans	-89.8	-1.1	-174.1	0	0	0	0	0	115.3	N172 R202 G302	N172-G229 PolarHBondContact O-N 3.37Å; R202-G229 PolarHBondContact O-N 3.2Å; G229-G302 WeakPolarHBondContact O-CA 3.36Å; G229-G302 PolarHBondContact O-N 3.06Å
230	D	97.4	Very high	98.1	Very high	8 Å²	8	10.9 Å²	10.9	4%	0.043	6%	0.06	C	C	.	.	S	Bend	trans	-84.2	146.9	-178.2	-81.6	7	0	0	0	112.5	P171 N172 F232	P171-D230 HydrophobicContact CG-CB 4.24Å; P171-D230 WeakPolarHBondContact CG-OD2 3.26Å; N172-D230 HydrophobicContact CB-CB 4.23Å; N172-D230 VanDerWaalsContact CB-CG 3.45Å; N172-D230 VanDerWaalsContact CB-OD1 3.28Å; N172-D230 WeakPolarHBondContact CB-OD1 3.38Å; N172-D230 PolarHBondContact ND2-OD1 3.41Å; D230-F232 VanDerWaalsContact C-N 3.28Å; D230-F232 PolarHBondContact O-N 3.39Å
231	P	94.7	Very high	98.1	Very high	57 Å²	57	10.7 Å²	10.7	37%	0.37	6%	0.059	S	C	.	.	S	Bend	trans	-71.8	-18.2	-176.8	28.1	-34.2	0	0	0	114.1	Q150	Q150-P231 HydrophobicContact CG-CG 4.12Å
232	F	96.9	Very high	98.1	Very high	74 Å²	74	12.9 Å²	12.9	33%	0.325	7%	0.069	S	C	.	.	S	Bend	trans	-127.7	98.2	177.4	-57.4	-76.5	0	0	0	108.9	Q150 M153 I154 R157 D230	Q150-F232 HydrophobicContact CB-CD2 4.12Å; Q150-F232 HydrophobicContact CB-CE2 4.22Å; M153-F232 HydrophobicContact CB-CB 3.92Å; M153-F232 WeakPolarHBondContact CE-O 3.27Å; I154-F232 HydrophobicContact CD1-CE1 4.47Å; I154-F232 HydrophobicContact CD1-CE2 4.05Å; I154-F232 HydrophobicContact CD1-CZ 4.02Å; I154-F232 HydrophobicContact CG1-CD1 4.13Å; I154-F232 HydrophobicContact CG1-CD2 4.06Å; I154-F232 HydrophobicContact CG1-CE1 4.1Å; I154-F232 HydrophobicContact CG1-CE2 4.05Å; I154-F232 HydrophobicContact CG1-CG 4.11Å; I154-F232 HydrophobicContact CG1-CZ 4.06Å; R157-F232 HydrophobicContact CG-CB 4.3Å; D230-F232 VanDerWaalsContact C-N 3.28Å; D230-F232 PolarHBondContact O-N 3.39Å
233	N	97.2	Very high	98.1	Very high	18 Å²	18	12.7 Å²	12.7	10%	0.096	7%	0.068	C	C	.	.			trans	-125.6	166.3	-176	59.6	24.7	0	0	0	111.5	R157 G170 T235	R157-N233 WeakPolarHBondContact CD-O 3.28Å; R157-N233 PolarHBondContact NE-O 3.37Å; R157-N233 PolarHBondContact NH1-O 3.47Å; G170-N233 CarbonylContact O-C 3.54Å; G170-N233 VanDerWaalsContact O-CA 3.29Å; G170-N233 WeakPolarHBondContact O-CA 3.3Å; G170-N233 VanDerWaalsContact O-CB 3.28Å; G170-N233 WeakPolarHBondContact O-CB 3.22Å; N233-T235 PolarHBondContact OD1-O 2.8Å; N233-T235 VanDerWaalsContact OD1-O 3.11Å
234	G	98	Very high	98	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.067	C	C	.	.	S	Bend	trans	-77.4	-24	-175.9	0	0	0	0	0	115.2	Y44 R157 R167 L168 G170	Y44-G234 VanDerWaalsContact CE1-O 3.29Å; Y44-G234 WeakPolarHBondContact CE1-O 3.39Å; Y44-G234 PolarHBondContact OH-O 3.34Å; R157-G234 PolarHBondContact NH1-O 2.88Å; R167-G234 PolarHBondContact NH1-O 3.11Å; L168-G234 CarbonylContact O-C 3.6Å; L168-G234 WeakPolarHBondContact O-CA 3.31Å; G170-G234 PolarHBondContact O-N 2.57Å
235	T	98.6	Very high	98	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.074	C	C	.	.			trans	-137.2	135.1	-173.7	-64.1	0	0	0	0	108.8	I51 R167 L168 I227 N233 D239	I51-T235 HydrophobicContact CD1-CG2 3.75Å; R167-T235 WeakPolarHBondContact CD-OG1 3.41Å; L168-T235 WeakPolarHBondContact O-CB 3.3Å; L168-T235 PolarHBondContact O-N 3.19Å; L168-T235 PolarHBondContact O-OG1 2.94Å; I227-T235 WeakPolarHBondContact CB-O 3.42Å; I227-T235 HydrophobicContact CG2-CG2 3.94Å; N233-T235 PolarHBondContact OD1-O 2.8Å; N233-T235 VanDerWaalsContact OD1-O 3.11Å; T235-D239 WeakPolarHBondContact CA-OD2 3.39Å; T235-D239 HydrophobicContact CG2-CB 3.75Å
236	N	98	Very high	97.9	Very high	24 Å²	24	21.1 Å²	21.1	13%	0.128	11%	0.107	C	C	.	.			trans	-113.6	-176.6	177.7	68.5	14.8	0	0	0	111.7	T238 D239 C240	N236-T238 WeakPolarHBondContact OD1-CB 3.37Å; N236-T238 PolarHBondContact OD1-N 3.01Å; N236-D239 PolarHBondContact N-OD2 3.02Å; N236-D239 PolarHBondContact O-N 2.99Å; N236-D239 PolarHBondContact OD1-N 2.99Å; N236-D239 PolarHBondContact OD1-OD2 3.04Å; N236-C240 PolarHBondContact O-N 2.64Å
237	F	98.7	Very high	97.8	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-59	-47.8	177.9	-70	-62.1	0	0	0	112.7	V200 R202 I227 D239 C240 L241 L255 L256 E264 A267	V200-F237 HydrophobicContact CB-CD1 4.29Å; V200-F237 HydrophobicContact CG1-CD1 3.74Å; V200-F237 HydrophobicContact CG1-CE1 4.29Å; V200-F237 HydrophobicContact CG2-CD1 3.63Å; V200-F237 HydrophobicContact CG2-CE1 4.04Å; R202-F237 HydrophobicContact CG-CE2 4.13Å; R202-F237 HydrophobicContact CG-CZ 3.72Å; I227-F237 HydrophobicContact CD1-CD1 4.02Å; I227-F237 HydrophobicContact CD1-CD2 4.25Å; I227-F237 HydrophobicContact CD1-CE1 3.92Å; I227-F237 HydrophobicContact CD1-CE2 4.11Å; I227-F237 HydrophobicContact CD1-CG 4.19Å; I227-F237 HydrophobicContact CD1-CZ 3.96Å; F237-D239 VanDerWaalsContact C-N 3.29Å; F237-D239 PolarHBondContact O-N 3.38Å; F237-C240 PolarHBondContact O-N 3.23Å; F237-C240 VanDerWaalsContact O-N 3.09Å; F237-L241 VanDerWaalsContact O-CG 3.3Å; F237-L241 WeakPolarHBondContact O-CG 3.35Å; F237-L241 PolarHBondContact O-N 3.07Å; F237-L255 HydrophobicContact CB-CD1 4.08Å; F237-L255 HydrophobicContact CD1-CD1 3.86Å; F237-L255 HydrophobicContact CD1-CD2 4.08Å; F237-L255 HydrophobicContact CD1-CG 3.61Å; F237-L255 HydrophobicContact CE1-CD1 4.5Å; F237-L255 HydrophobicContact CE1-CD2 3.9Å; F237-L255 HydrophobicContact CE1-CG 3.8Å; F237-L255 HydrophobicContact CG-CD1 4Å; F237-L255 HydrophobicContact CG-CD2 4.46Å; F237-L255 HydrophobicContact CG-CG 4.18Å; F237-L255 HydrophobicContact CZ-CD2 4.14Å; F237-L256 WeakPolarHBondContact CZ-O 3.43Å; F237-E264 HydrophobicContact CD2-CG 4.19Å; F237-E264 HydrophobicContact CE2-CG 3.68Å; F237-E264 WeakPolarHBondContact CE2-OE1 3.5Å; F237-E264 HydrophobicContact CZ-CG 4.37Å; F237-A267 HydrophobicContact CB-CB 3.67Å; F237-A267 HydrophobicContact CG-CB 4.45Å
238	T	98.3	Very high	97.7	Very high	17 Å²	17	26 Å²	26	10%	0.104	14%	0.138	C	C	.	.	H	α-helix	trans	-56	-42.7	179.6	-53.8	0	0	0	0	112.4	N236 C240 L241 E242 F270	N236-T238 WeakPolarHBondContact OD1-CB 3.37Å; N236-T238 PolarHBondContact OD1-N 3.01Å; T238-C240 VanDerWaalsContact C-N 3.31Å; T238-C240 PolarHBondContact O-N 3.44Å; T238-L241 PolarHBondContact O-N 3.18Å; T238-E242 PolarHBondContact O-N 3.07Å; T238-F270 HydrophobicContact CG2-CB 3.96Å; T238-F270 HydrophobicContact CG2-CD1 4.22Å; T238-F270 HydrophobicContact CG2-CD2 3.45Å; T238-F270 VanDerWaalsContact CG2-CD2 3.45Å; T238-F270 HydrophobicContact CG2-CE2 3.92Å; T238-F270 HydrophobicContact CG2-CG 3.61Å; T238-F270 HydrophobicContact CG2-CZ 4.48Å
239	D	98.4	Very high	97.6	Very high	7 Å²	7	30.5 Å²	30.5	4%	0.037	16%	0.162	C	C	.	.	H	α-helix	trans	-59.1	-41	177.3	-67.6	-28.8	0	0	0	112.2	R48 I51 R167 T235 N236 F237 V243	R48-D239 HydrophobicContact CG-CB 4.14Å; R48-D239 IonicContact CZ-OD1 2.83Å; R48-D239 VanDerWaalsContact CZ-OD1 3.25Å; R48-D239 IonicContact NE-OD1 3.37Å; R48-D239 PolarHBondContact NE-OD1 3.42Å; R48-D239 IonicContact NH2-OD1 2.73Å; R48-D239 PolarHBondContact NH2-OD1 2.92Å; I51-D239 HydrophobicContact CD1-CB 4.46Å; R167-D239 IonicContact CZ-OD2 3.54Å; R167-D239 IonicContact NH1-OD1 2.58Å; R167-D239 IonicContact NH1-OD2 3.38Å; R167-D239 PolarHBondContact NH1-OD2 3.26Å; T235-D239 WeakPolarHBondContact CA-OD2 3.39Å; T235-D239 HydrophobicContact CG2-CB 3.75Å; N236-D239 PolarHBondContact N-OD2 3.02Å; N236-D239 PolarHBondContact O-N 2.99Å; N236-D239 PolarHBondContact OD1-N 2.99Å; N236-D239 PolarHBondContact OD1-OD2 3.04Å; F237-D239 VanDerWaalsContact C-N 3.29Å; F237-D239 PolarHBondContact O-N 3.38Å; D239-V243 WeakPolarHBondContact O-CG2 3.34Å
240	C	98.8	Very high	97.7	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-75.6	-38	176.4	-64.4	0	0	0	0	112.5	V200 N236 F237 T238 E242 V243 F244	V200-C240 HydrophobicContact CB-CB 3.81Å; V200-C240 HydrophobicContact CG1-CB 4.3Å; V200-C240 HydrophobicContact CG2-CB 3.67Å; N236-C240 PolarHBondContact O-N 2.64Å; F237-C240 PolarHBondContact O-N 3.23Å; F237-C240 VanDerWaalsContact O-N 3.09Å; T238-C240 VanDerWaalsContact C-N 3.31Å; T238-C240 PolarHBondContact O-N 3.44Å; C240-E242 VanDerWaalsContact C-N 3.34Å; C240-E242 PolarHBondContact O-N 3.46Å; C240-V243 WeakPolarHBondContact O-CB 3.15Å; C240-V243 PolarHBondContact O-N 2.8Å; C240-F244 HydrophobicContact CB-CD2 4.42Å; C240-F244 HydrophobicContact CB-CE2 3.98Å; C240-F244 HydrophobicContact CB-CZ 4.29Å; C240-F244 WeakPolarHBondContact O-CB 3.34Å; C240-F244 VanDerWaalsContact O-CD2 3.3Å; C240-F244 WeakPolarHBondContact O-CD2 3.2Å; C240-F244 WeakPolarHBondContact O-CG 3.18Å; C240-F244 PolarHBondContact O-N 2.96Å
241	L	98.7	Very high	97.7	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-61.4	-43	178.2	-72.3	175	0	0	0	111.2	F237 T238 V243 F244 L245 I253 L255 A267 F270 L271	F237-L241 VanDerWaalsContact O-CG 3.3Å; F237-L241 WeakPolarHBondContact O-CG 3.35Å; F237-L241 PolarHBondContact O-N 3.07Å; T238-L241 PolarHBondContact O-N 3.18Å; L241-V243 VanDerWaalsContact C-N 3.33Å; L241-V243 PolarHBondContact O-N 2.78Å; L241-F244 PolarHBondContact O-N 3.26Å; L241-L245 WeakPolarHBondContact O-CB 3.37Å; L241-L245 VanDerWaalsContact O-CG 3.25Å; L241-L245 WeakPolarHBondContact O-CG 3.46Å; L241-L245 PolarHBondContact O-N 2.85Å; L241-I253 HydrophobicContact CD2-CD1 4.2Å; L241-I253 HydrophobicContact CD2-CG2 3.84Å; L241-L255 HydrophobicContact CD1-CD1 4.19Å; L241-A267 HydrophobicContact CD1-CB 3.83Å; L241-F270 HydrophobicContact CB-CD1 3.95Å; L241-F270 HydrophobicContact CB-CE1 3.77Å; L241-F270 HydrophobicContact CD1-CD1 4.21Å; L241-L271 HydrophobicContact CD1-CD1 4.1Å; L241-L271 HydrophobicContact CD1-CD2 4.08Å; L241-L271 HydrophobicContact CD1-CG 3.89Å; L241-L271 HydrophobicContact CD2-CD2 4.22Å
242	E	97.9	Very high	97.9	Very high	46 Å²	46	33.2 Å²	33.2	22%	0.215	17%	0.168	C	C	.	.	H	α-helix	trans	-55.4	-49.1	174.1	-171	165.8	123.9	0	0	111.5	R48 T238 C240 F244 L245 E246 F270	R48-E242 WeakPolarHBondContact CD-OE1 3.43Å; R48-E242 IonicContact CZ-OE1 2.86Å; R48-E242 IonicContact CZ-OE2 3.49Å; R48-E242 IonicContact NE-OE1 3.38Å; R48-E242 IonicContact NE-OE2 2.85Å; R48-E242 IonicContact NH1-OE1 2.99Å; R48-E242 PolarHBondContact NH1-OE1 3.27Å; R48-E242 IonicContact NH1-OE2 3.69Å; R48-E242 PolarHBondContact NH1-OE2 3.31Å; R48-E242 IonicContact NH2-OE2 3.91Å; T238-E242 PolarHBondContact O-N 3.07Å; C240-E242 VanDerWaalsContact C-N 3.34Å; C240-E242 PolarHBondContact O-N 3.46Å; E242-F244 PolarHBondContact O-N 3.04Å; E242-L245 PolarHBondContact O-N 2.84Å; E242-E246 WeakPolarHBondContact O-CG 3.42Å; E242-E246 PolarHBondContact O-N 2.93Å; E242-E246 VanDerWaalsContact O-N 3.11Å; E242-F270 HydrophobicContact CB-CZ 3.88Å; E242-F270 HydrophobicContact CG-CZ 4.36Å
243	V	98.2	Very high	98	Very high	6 Å²	6	29.7 Å²	29.7	4%	0.036	15%	0.152	C	C	.	.	H	α-helix	trans	-60	-44.6	176.1	172.5	0	0	0	0	111.9	R48 I51 L52 D239 C240 L241 E246 D247	R48-V243 HydrophobicContact CB-CG2 4.09Å; R48-V243 WeakPolarHBondContact O-CG2 3.42Å; I51-V243 HydrophobicContact CB-CG2 4.34Å; I51-V243 HydrophobicContact CD1-CG2 4.36Å; L52-V243 HydrophobicContact CD1-CG1 4.25Å; L52-V243 HydrophobicContact CD2-CG1 3.34Å; L52-V243 HydrophobicContact CG-CG1 3.56Å; D239-V243 WeakPolarHBondContact O-CG2 3.34Å; C240-V243 WeakPolarHBondContact O-CB 3.15Å; C240-V243 PolarHBondContact O-N 2.8Å; L241-V243 VanDerWaalsContact C-N 3.33Å; L241-V243 PolarHBondContact O-N 2.78Å; V243-E246 PolarHBondContact O-N 2.98Å; V243-D247 VanDerWaalsContact O-CB 3.28Å; V243-D247 WeakPolarHBondContact O-CB 3.49Å; V243-D247 PolarHBondContact O-N 2.93Å
244	F	98.6	Very high	98.1	Very high	1 Å²	1	28.9 Å²	28.9	0%	0.004	15%	0.148	C	C	.	.	H	α-helix	trans	-70	-35	-178.8	-66.2	-27.2	0	0	0	113.2	V200 L223 V225 C240 L241 E242 T250 I253 K281	V200-F244 HydrophobicContact CB-CE2 3.85Å; V200-F244 HydrophobicContact CB-CZ 4.41Å; V200-F244 HydrophobicContact CG1-CE2 3.98Å; L223-F244 HydrophobicContact CB-CE1 4.07Å; L223-F244 HydrophobicContact CD2-CE1 4.1Å; L223-F244 HydrophobicContact CG-CE1 4.32Å; V225-F244 HydrophobicContact CG2-CZ 4.25Å; C240-F244 HydrophobicContact CB-CD2 4.42Å; C240-F244 HydrophobicContact CB-CE2 3.98Å; C240-F244 HydrophobicContact CB-CZ 4.29Å; C240-F244 WeakPolarHBondContact O-CB 3.34Å; C240-F244 VanDerWaalsContact O-CD2 3.3Å; C240-F244 WeakPolarHBondContact O-CD2 3.2Å; C240-F244 WeakPolarHBondContact O-CG 3.18Å; C240-F244 PolarHBondContact O-N 2.96Å; L241-F244 PolarHBondContact O-N 3.26Å; E242-F244 PolarHBondContact O-N 3.04Å; F244-T250 HydrophobicContact CB-CG2 3.92Å; F244-T250 HydrophobicContact CD1-CG2 4.39Å; F244-T250 HydrophobicContact CG-CG2 4.29Å; F244-I253 HydrophobicContact CB-CD1 3.57Å; F244-I253 HydrophobicContact CB-CG1 3.93Å; F244-I253 HydrophobicContact CD2-CD1 4.37Å; F244-I253 HydrophobicContact CD2-CG1 4.3Å; F244-I253 HydrophobicContact CD2-CG2 3.84Å; F244-I253 HydrophobicContact CE2-CG2 4.36Å; F244-I253 HydrophobicContact CG-CD1 4.44Å; F244-I253 HydrophobicContact CG-CG1 4.44Å; F244-K281 PolarHBondContact O-NZ 3.21Å
245	L	97.9	Very high	98.1	Very high	33 Å²	33	28.9 Å²	28.9	17%	0.173	15%	0.148	C	C	.	.	H	α-helix	trans	-69.7	-36.8	177.3	-69.2	-179.8	0	0	0	111	L241 E242 I253 F270 H274 N275 K281	L241-L245 WeakPolarHBondContact O-CB 3.37Å; L241-L245 VanDerWaalsContact O-CG 3.25Å; L241-L245 WeakPolarHBondContact O-CG 3.46Å; L241-L245 PolarHBondContact O-N 2.85Å; E242-L245 PolarHBondContact O-N 2.84Å; L245-I253 HydrophobicContact CD2-CD1 3.96Å; L245-I253 HydrophobicContact CG-CD1 4.48Å; L245-F270 HydrophobicContact CD1-CE1 3.79Å; L245-F270 HydrophobicContact CD1-CZ 4.46Å; L245-H274 HydrophobicContact CD1-CB 4.04Å; L245-N275 HydrophobicContact CD1-CB 4.1Å; L245-N275 HydrophobicContact CD2-CB 4.06Å; L245-N275 WeakPolarHBondContact CD2-OD1 3.32Å; L245-K281 HydrophobicContact CD2-CB 4.34Å; L245-K281 HydrophobicContact CD2-CD 4.22Å; L245-K281 HydrophobicContact CD2-CG 4.31Å; L245-K281 VanDerWaalsContact O-CE 3.26Å; L245-K281 WeakPolarHBondContact O-CE 3.29Å; L245-K281 PolarHBondContact O-NZ 3.03Å
246	E	96.4	Very high	98.1	Very high	149 Å²	149	29 Å²	29	70%	0.696	15%	0.148	S	C	*	.	H	α-helix	trans	-79.5	-28.5	177.5	-67.6	179.5	176.4	0	0	113.9	E242 V243 P248	E242-E246 WeakPolarHBondContact O-CG 3.42Å; E242-E246 PolarHBondContact O-N 2.93Å; E242-E246 VanDerWaalsContact O-N 3.11Å; V243-E246 PolarHBondContact O-N 2.98Å; E246-P248 VanDerWaalsContact O-CD 3.31Å; E246-P248 WeakPolarHBondContact O-CD 3.28Å
247	D	96.9	Very high	98.1	Very high	17 Å²	17	27.9 Å²	27.9	9%	0.091	14%	0.142	C	C	.	.			trans	-70.5	117.7	-178.4	172.5	30.5	0	0	0	111.9	L52 V243 N249 T250 K281	L52-D247 HydrophobicContact CD2-CB 4.44Å; V243-D247 VanDerWaalsContact O-CB 3.28Å; V243-D247 WeakPolarHBondContact O-CB 3.49Å; V243-D247 PolarHBondContact O-N 2.93Å; D247-N249 PolarHBondContact O-N 3.05Å; D247-N249 WeakPolarHBondContact OD1-CB 3.24Å; D247-N249 PolarHBondContact OD1-N 2.78Å; D247-N249 PolarHBondContact OD1-ND2 3.11Å; D247-T250 PolarHBondContact O-N 3.25Å; D247-T250 WeakPolarHBondContact OD2-CB 3.33Å; D247-T250 PolarHBondContact OD2-N 3.4Å; D247-T250 VanDerWaalsContact OD2-N 3.13Å; D247-T250 PolarHBondContact OD2-OG1 3.02Å; D247-K281 PolarHBondContact O-NZ 3.19Å
248	P	96.6	Very high	98.1	Very high	88 Å²	88	28.4 Å²	28.4	57%	0.571	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-19.8	178.7	27.6	-35.6	0	0	0	113.4	E246 K251	E246-P248 VanDerWaalsContact O-CD 3.31Å; E246-P248 WeakPolarHBondContact O-CD 3.28Å; P248-K251 WeakPolarHBondContact O-CE 3.45Å; P248-K251 PolarHBondContact O-NZ 2.85Å
249	N	96.8	Very high	98	Very high	95 Å²	95	27.7 Å²	27.7	51%	0.508	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-23.9	178.1	-54.4	-66.5	0	0	0	112.4	T196 D247 K251	T196-N249 WeakPolarHBondContact CA-O 3.18Å; D247-N249 PolarHBondContact O-N 3.05Å; D247-N249 WeakPolarHBondContact OD1-CB 3.24Å; D247-N249 PolarHBondContact OD1-N 2.78Å; D247-N249 PolarHBondContact OD1-ND2 3.11Å; N249-K251 PolarHBondContact O-N 2.96Å
250	T	98.4	Very high	97.8	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.139	C	C	.	.			trans	-84.2	113	175.2	-61	0	0	0	0	109.4	T196 S222 F244 D247 S252 I253 K281	T196-T250 CarbonylContact O-C 3.45Å; T196-T250 WeakPolarHBondContact O-CA 3.31Å; S222-T250 WeakPolarHBondContact CB-OG1 3.43Å; S222-T250 PolarHBondContact OG-OG1 2.77Å; F244-T250 HydrophobicContact CB-CG2 3.92Å; F244-T250 HydrophobicContact CD1-CG2 4.39Å; F244-T250 HydrophobicContact CG-CG2 4.29Å; D247-T250 PolarHBondContact O-N 3.25Å; D247-T250 WeakPolarHBondContact OD2-CB 3.33Å; D247-T250 PolarHBondContact OD2-N 3.4Å; D247-T250 VanDerWaalsContact OD2-N 3.13Å; D247-T250 PolarHBondContact OD2-OG1 3.02Å; T250-S252 WeakPolarHBondContact CG2-O 3.31Å; T250-I253 HydrophobicContact CG2-CG1 4.02Å; T250-K281 WeakPolarHBondContact O-CD 3.19Å; T250-K281 VanDerWaalsContact O-CE 3.29Å; T250-K281 WeakPolarHBondContact O-CE 3.36Å; T250-K281 PolarHBondContact O-NZ 3.25Å
251	K	97.8	Very high	97.5	Very high	123 Å²	123	29.9 Å²	29.9	54%	0.535	17%	0.165	S	C	.	.			trans	-103.3	-20.1	179	-57.3	-54	-171.1	-169.9	0	113.2	T196 P248 N249 P282	T196-K251 HydrophobicContact CG2-CB 4.47Å; T196-K251 HydrophobicContact CG2-CG 3.89Å; T196-K251 PolarHBondContact O-N 3.28Å; P248-K251 WeakPolarHBondContact O-CE 3.45Å; P248-K251 PolarHBondContact O-NZ 2.85Å; N249-K251 PolarHBondContact O-N 2.96Å; K251-P282 VanDerWaalsContact O-CD 3.23Å; K251-P282 WeakPolarHBondContact O-CD 3.07Å
252	S	98.5	Very high	97.4	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	158	179.9	62.8	0	0	0	0	110.2	T196 V197 G198 T250	T196-S252 PolarHBondContact O-N 2.91Å; V197-S252 WeakPolarHBondContact CA-O 3.05Å; G198-S252 PolarHBondContact N-O 3.07Å; T250-S252 WeakPolarHBondContact CG2-O 3.31Å
253	I	98.9	Very high	97.3	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	138.3	-170.4	-57.6	170.9	0	0	0	110.7	G198 L241 F244 L245 T250 P282 V283 V284	G198-I253 CarbonylContact O-C 3.56Å; G198-I253 VanDerWaalsContact O-CA 3.3Å; G198-I253 WeakPolarHBondContact O-CA 3.48Å; L241-I253 HydrophobicContact CD2-CD1 4.2Å; L241-I253 HydrophobicContact CD2-CG2 3.84Å; F244-I253 HydrophobicContact CB-CD1 3.57Å; F244-I253 HydrophobicContact CB-CG1 3.93Å; F244-I253 HydrophobicContact CD2-CD1 4.37Å; F244-I253 HydrophobicContact CD2-CG1 4.3Å; F244-I253 HydrophobicContact CD2-CG2 3.84Å; F244-I253 HydrophobicContact CE2-CG2 4.36Å; F244-I253 HydrophobicContact CG-CD1 4.44Å; F244-I253 HydrophobicContact CG-CG1 4.44Å; L245-I253 HydrophobicContact CD2-CD1 3.96Å; L245-I253 HydrophobicContact CG-CD1 4.48Å; T250-I253 HydrophobicContact CG2-CG1 4.02Å; I253-P282 PolarHBondContact N-O 3.14Å; I253-V283 HydrophobicContact CB-CG1 4.27Å; I253-V283 HydrophobicContact CB-CG2 4.23Å; I253-V283 HydrophobicContact CD1-CG2 4.5Å; I253-V283 HydrophobicContact CG2-CG1 4.26Å; I253-V283 WeakPolarHBondContact O-CA 3.4Å; I253-V284 PolarHBondContact O-N 3.01Å
254	I	98.9	Very high	97.3	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	126.6	166.8	-61.9	172.7	0	0	0	109.2	V197 G198 I199 V200 A210 T214 L256 V284 I333 L337	V197-I254 HydrophobicContact CG1-CD1 3.75Å; V197-I254 HydrophobicContact CG1-CG1 3.79Å; G198-I254 PolarHBondContact O-N 3.45Å; I199-I254 WeakPolarHBondContact CA-O 3.08Å; I199-I254 HydrophobicContact CD1-CD1 4.25Å; I199-I254 HydrophobicContact CG1-CB 4.21Å; I199-I254 HydrophobicContact CG1-CD1 4.33Å; I199-I254 HydrophobicContact CG2-CB 4.35Å; I199-I254 HydrophobicContact CG2-CG2 4.44Å; V200-I254 PolarHBondContact N-O 2.91Å; A210-I254 HydrophobicContact CB-CD1 4.26Å; A210-I254 HydrophobicContact CB-CG2 4.4Å; T214-I254 HydrophobicContact CG2-CD1 3.52Å; I254-L256 HydrophobicContact CG2-CD1 4.34Å; I254-L256 HydrophobicContact CG2-CD2 3.49Å; I254-L256 VanDerWaalsContact CG2-CD2 3.49Å; I254-L256 HydrophobicContact CG2-CG 3.74Å; I254-V284 CarbonylContact C-O 3.56Å; I254-V284 VanDerWaalsContact CA-O 3.32Å; I254-V284 WeakPolarHBondContact CA-O 3.46Å; I254-I333 HydrophobicContact CD1-CG2 3.67Å; I254-I333 HydrophobicContact CG1-CG2 4.21Å; I254-I333 HydrophobicContact CG2-CG2 3.82Å; I254-L337 HydrophobicContact CD1-CD2 3.87Å; I254-L337 HydrophobicContact CG1-CD1 4.46Å; I254-L337 HydrophobicContact CG1-CD2 3.81Å
255	L	98.8	Very high	97.3	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	114.6	173.6	-174.2	156.1	0	0	0	110	V200 F237 L241 E264 A267 V284 S285 F286 L319	V200-L255 HydrophobicContact CG1-CB 4.34Å; V200-L255 HydrophobicContact CG1-CG 4.26Å; F237-L255 HydrophobicContact CB-CD1 4.08Å; F237-L255 HydrophobicContact CD1-CD1 3.86Å; F237-L255 HydrophobicContact CD1-CD2 4.08Å; F237-L255 HydrophobicContact CD1-CG 3.61Å; F237-L255 HydrophobicContact CE1-CD1 4.5Å; F237-L255 HydrophobicContact CE1-CD2 3.9Å; F237-L255 HydrophobicContact CE1-CG 3.8Å; F237-L255 HydrophobicContact CG-CD1 4Å; F237-L255 HydrophobicContact CG-CD2 4.46Å; F237-L255 HydrophobicContact CG-CG 4.18Å; F237-L255 HydrophobicContact CZ-CD2 4.14Å; L241-L255 HydrophobicContact CD1-CD1 4.19Å; L255-E264 HydrophobicContact CD2-CG 4.43Å; L255-A267 HydrophobicContact CD1-CB 3.9Å; L255-V284 PolarHBondContact N-O 3.06Å; L255-S285 WeakPolarHBondContact O-CA 3.43Å; L255-S285 WeakPolarHBondContact O-CB 3.35Å; L255-S285 PolarHBondContact O-OG 2.69Å; L255-F286 PolarHBondContact O-N 2.82Å; L255-L319 HydrophobicContact CD1-CD2 4.39Å; L255-L319 HydrophobicContact CD2-CD1 4.31Å
256	L	98.7	Very high	97.3	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.01	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	102.5	-179.7	-53.7	177.3	0	0	0	110.4	I199 V200 S201 R202 L206 A210 F237 I254 F286 I333	I199-L256 HydrophobicContact CG2-CD1 4.41Å; V200-L256 PolarHBondContact O-N 3.06Å; S201-L256 WeakPolarHBondContact CA-O 3.35Å; S201-L256 WeakPolarHBondContact OG-CB 3.29Å; R202-L256 PolarHBondContact N-O 3.43Å; R202-L256 VanDerWaalsContact N-O 3.12Å; L206-L256 HydrophobicContact CB-CD1 4.06Å; L206-L256 VanDerWaalsContact O-CD1 3.3Å; L206-L256 WeakPolarHBondContact O-CD1 3.48Å; A210-L256 HydrophobicContact CB-CD1 3.8Å; F237-L256 WeakPolarHBondContact CZ-O 3.43Å; I254-L256 HydrophobicContact CG2-CD1 4.34Å; I254-L256 HydrophobicContact CG2-CD2 3.49Å; I254-L256 VanDerWaalsContact CG2-CD2 3.49Å; I254-L256 HydrophobicContact CG2-CG 3.74Å; L256-F286 HydrophobicContact CD2-CB 4Å; L256-I333 HydrophobicContact CD2-CD1 3.83Å
257	G	98.2	Very high	97.4	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.01	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	179.7	-179.7	0	0	0	0	0	113.1	E264 F286 A288	G257-E264 VanDerWaalsContact CA-OE1 3.3Å; G257-E264 WeakPolarHBondContact CA-OE1 3.16Å; G257-F286 PolarHBondContact N-O 3.09Å; G257-A288 PolarHBondContact O-N 2.99Å
258	E	97.4	Very high	97.5	Very high	11 Å²	11	29 Å²	29	5%	0.051	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	175.6	176.9	60.9	-173.9	-143.4	0	0	109.8	R202 E264 A288 H300 K315	R202-E258 HydrophobicContact CB-CG 4.09Å; R202-E258 IonicContact CZ-OE1 2.57Å; R202-E258 IonicContact NE-OE1 3.77Å; R202-E258 PolarHBondContact NE-OE1 3.08Å; R202-E258 IonicContact NH2-OE1 3.21Å; R202-E258 PolarHBondContact NH2-OE1 2.82Å; E258-E264 PolarHBondContact N-OE1 3.46Å; E258-E264 VanDerWaalsContact N-OE1 3.11Å; E258-A288 CarbonylContact C-O 3.55Å; E258-A288 WeakPolarHBondContact CA-O 3.36Å; E258-A288 HydrophobicContact CB-CB 3.96Å; E258-H300 VanDerWaalsContact CD-ND1 3.3Å; E258-H300 IonicContact OE1-CG 2.8Å; E258-H300 IonicContact OE1-ND1 3.62Å; E258-H300 PolarHBondContact OE1-ND1 3.45Å; E258-H300 IonicContact OE2-CE1 3.79Å; E258-H300 PolarHBondContact OE2-CE1 3.47Å; E258-H300 IonicContact OE2-ND1 3.83Å; E258-H300 PolarHBondContact OE2-ND1 3Å; E258-K315 WeakPolarHBondContact O-CD 3.38Å; E258-K315 WeakPolarHBondContact O-CE 3.2Å
259	I	96.4	Very high	97.5	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.01	16%	0.159	C	C	.	.	S	Bend	trans	-58.4	158.4	173.6	54.7	157	0	0	0	113.1	R202 A288 G289 A292 M298 A303 I305 G310 A312	R202-I259 PolarHBondContact NH1-O 3.33Å; R202-I259 PolarHBondContact NH2-O 2.96Å; I259-A288 PolarHBondContact N-O 2.84Å; I259-A288 VanDerWaalsContact N-O 3.11Å; I259-G289 WeakPolarHBondContact CG2-O 3.5Å; I259-A292 HydrophobicContact CD1-CB 3.6Å; I259-M298 HydrophobicContact CD1-CG 3.86Å; I259-A303 HydrophobicContact CD1-CB 4.41Å; I259-A303 HydrophobicContact CG1-CB 4.1Å; I259-A303 WeakPolarHBondContact O-CA 3.4Å; I259-I305 HydrophobicContact CB-CG1 3.98Å; I259-I305 HydrophobicContact CD1-CG1 4.05Å; I259-I305 HydrophobicContact CG2-CD1 4.05Å; I259-I305 HydrophobicContact CG2-CG1 3.98Å; I259-G310 CarbonylContact C-O 3.57Å; I259-G310 WeakPolarHBondContact CA-O 3.41Å; I259-G310 WeakPolarHBondContact CB-O 3.41Å; I259-A312 HydrophobicContact CG2-CB 4.02Å
260	G	94.7	Very high	97.6	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.01	14%	0.139	C	C	.	.	S	Bend	trans	86.2	149.6	175.7	0	0	0	0	0	114.4	R202 G302 I304 G310 K315	R202-G260 PolarHBondContact NH1-O 3.43Å; G260-G302 WeakPolarHBondContact CA-O 3.49Å; G260-I304 WeakPolarHBondContact CA-O 3.39Å; G260-G310 PolarHBondContact N-O 3.14Å; G260-K315 PolarHBondContact O-NZ 2.9Å
261	G	93.6	Very high	97.6	Very high	53 Å²	53	25.8 Å²	25.8	55%	0.546	14%	0.139	S	C	.	.	S	Bend	trans	65.2	-169.7	-172.8	0	0	0	0	0	113.1	K315	G261-K315 PolarHBondContact O-NZ 3.39Å
262	D	95.5	Very high	97.6	Very high	85 Å²	85	23.9 Å²	23.9	46%	0.455	13%	0.131	S	C	.	.	S	Bend	trans	-128.9	13.8	-179.5	65.8	-24.9	0	0	0	112.7	E264 E265 Q266	D262-E264 VanDerWaalsContact C-N 3.33Å; D262-E264 PolarHBondContact O-N 2.83Å; D262-E265 WeakPolarHBondContact CA-OE2 3.29Å; D262-E265 PolarHBondContact O-N 2.92Å; D262-Q266 WeakPolarHBondContact O-CG 3.45Å; D262-Q266 PolarHBondContact O-N 2.78Å; D262-Q266 PolarHBondContact OD1-NE2 3.24Å; D262-Q266 PolarHBondContact OD2-NE2 3.43Å
263	S	96.5	Very high	97.6	Very high	29 Å²	29	29.6 Å²	29.6	20%	0.203	16%	0.158	C	C	.	.	H	α-helix	trans	-62.8	-36.9	-173.8	-64.4	0	0	0	0	112.9	A267	S263-A267 WeakPolarHBondContact O-CB 3.41Å; S263-A267 PolarHBondContact O-N 2.95Å
264	E	98.4	Very high	97.5	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-68.1	-38.5	176.7	-67.2	82.5	174.4	0	0	111.6	R202 F237 L255 G257 E258 D262 A267 A268 I287 K315 L319	R202-E264 WeakPolarHBondContact CD-OE1 3.42Å; R202-E264 IonicContact NH1-OE1 3.48Å; R202-E264 PolarHBondContact NH1-OE1 3.45Å; R202-E264 IonicContact NH1-OE2 3.25Å; F237-E264 HydrophobicContact CD2-CG 4.19Å; F237-E264 HydrophobicContact CE2-CG 3.68Å; F237-E264 WeakPolarHBondContact CE2-OE1 3.5Å; F237-E264 HydrophobicContact CZ-CG 4.37Å; L255-E264 HydrophobicContact CD2-CG 4.43Å; G257-E264 VanDerWaalsContact CA-OE1 3.3Å; G257-E264 WeakPolarHBondContact CA-OE1 3.16Å; E258-E264 PolarHBondContact N-OE1 3.46Å; E258-E264 VanDerWaalsContact N-OE1 3.11Å; D262-E264 VanDerWaalsContact C-N 3.33Å; D262-E264 PolarHBondContact O-N 2.83Å; E264-A267 WeakPolarHBondContact O-CB 3.32Å; E264-A267 PolarHBondContact O-N 2.91Å; E264-A268 PolarHBondContact O-N 3Å; E264-I287 HydrophobicContact CG-CD1 3.94Å; E264-K315 HydrophobicContact CB-CB 4.05Å; E264-K315 HydrophobicContact CB-CD 4.05Å; E264-K315 HydrophobicContact CB-CG 3.96Å; E264-K315 HydrophobicContact CG-CD 4.07Å; E264-K315 IonicContact OE2-NZ 2.73Å; E264-K315 PolarHBondContact OE2-NZ 2.9Å; E264-L319 HydrophobicContact CB-CD1 4.46Å
265	E	98	Very high	97.5	Very high	51 Å²	51	35.6 Å²	35.6	24%	0.238	19%	0.186	C	C	.	.	H	α-helix	trans	-67.6	-42.1	175.3	-60.6	92.2	137.5	0	0	111.3	D262 A267 A268 E269 K315 A318	D262-E265 WeakPolarHBondContact CA-OE2 3.29Å; D262-E265 PolarHBondContact O-N 2.92Å; E265-A267 VanDerWaalsContact C-N 3.29Å; E265-A267 PolarHBondContact O-N 3.25Å; E265-A268 WeakPolarHBondContact O-CB 3.32Å; E265-A268 PolarHBondContact O-N 3.1Å; E265-E269 PolarHBondContact O-N 3.31Å; E265-E269 VanDerWaalsContact O-N 3.08Å; E265-K315 HydrophobicContact CG-CG 4.46Å; E265-K315 IonicContact OE1-NZ 3.98Å; E265-K315 PolarHBondContact OE1-NZ 3.32Å; E265-K315 WeakPolarHBondContact OE2-CG 3.46Å; E265-K315 IonicContact OE2-NZ 2.74Å; E265-K315 PolarHBondContact OE2-NZ 2.94Å; E265-A318 HydrophobicContact CB-CB 4.42Å; E265-A318 HydrophobicContact CG-CB 4.13Å
266	Q	97.6	Very high	97.2	Very high	67 Å²	67	39.7 Å²	39.7	31%	0.313	21%	0.211	S	C	.	.	H	α-helix	trans	-63.6	-35.6	172.5	-69.1	179.4	33.6	0	0	112	D262 E269 F270	D262-Q266 WeakPolarHBondContact O-CG 3.45Å; D262-Q266 PolarHBondContact O-N 2.78Å; D262-Q266 PolarHBondContact OD1-NE2 3.24Å; D262-Q266 PolarHBondContact OD2-NE2 3.43Å; Q266-E269 PolarHBondContact O-N 3.02Å; Q266-F270 PolarHBondContact O-N 3.43Å
267	A	98.6	Very high	96.8	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-66.2	-40.6	174.5	0	0	0	0	0	112	F237 L241 L255 S263 E264 E265 F270 L271	F237-A267 HydrophobicContact CB-CB 3.67Å; F237-A267 HydrophobicContact CG-CB 4.45Å; L241-A267 HydrophobicContact CD1-CB 3.83Å; L255-A267 HydrophobicContact CD1-CB 3.9Å; S263-A267 WeakPolarHBondContact O-CB 3.41Å; S263-A267 PolarHBondContact O-N 2.95Å; E264-A267 WeakPolarHBondContact O-CB 3.32Å; E264-A267 PolarHBondContact O-N 2.91Å; E265-A267 VanDerWaalsContact C-N 3.29Å; E265-A267 PolarHBondContact O-N 3.25Å; A267-F270 PolarHBondContact O-N 3.43Å; A267-L271 WeakPolarHBondContact O-CG 3.49Å; A267-L271 PolarHBondContact O-N 3.24Å
268	A	98.6	Very high	96.4	Very high	1 Å²	1	47 Å²	47	1%	0.008	27%	0.267	C	S	.	.	H	α-helix	trans	-60.3	-45.3	174.8	0	0	0	0	0	111.8	E264 E265 L271 K272 A318 L319 A322	E264-A268 PolarHBondContact O-N 3Å; E265-A268 WeakPolarHBondContact O-CB 3.32Å; E265-A268 PolarHBondContact O-N 3.1Å; A268-L271 PolarHBondContact O-N 3.15Å; A268-K272 WeakPolarHBondContact O-CG 3.21Å; A268-K272 PolarHBondContact O-N 2.58Å; A268-K272 VanDerWaalsContact O-N 3.09Å; A268-A318 VanDerWaalsContact CB-C 3.46Å; A268-A318 HydrophobicContact CB-CB 3.92Å; A268-A318 WeakPolarHBondContact CB-O 3.44Å; A268-L319 HydrophobicContact CB-CD2 4.06Å; A268-L319 HydrophobicContact CB-CG 4.37Å; A268-A322 HydrophobicContact CB-CB 4.07Å; A268-A322 WeakPolarHBondContact O-CB 3.08Å
269	E	98.4	Very high	96	Very high	94 Å²	94	53.5 Å²	53.5	44%	0.439	30%	0.302	S	S	.	.	H	α-helix	trans	-63.1	-43.8	177.2	-164.2	58.6	-153.5	0	0	111.8	E265 Q266 L271 K272 E273	E265-E269 PolarHBondContact O-N 3.31Å; E265-E269 VanDerWaalsContact O-N 3.08Å; Q266-E269 PolarHBondContact O-N 3.02Å; E269-L271 VanDerWaalsContact C-N 3.31Å; E269-L271 PolarHBondContact O-N 3.46Å; E269-K272 WeakPolarHBondContact O-CB 3.26Å; E269-K272 PolarHBondContact O-N 3.48Å; E269-K272 IonicContact OE2-NZ 2.78Å; E269-E273 PolarHBondContact O-N 2.65Å
270	F	98.5	Very high	96	Very high	21 Å²	21	59.5 Å²	59.5	9%	0.092	33%	0.325	C	S	.	.	H	α-helix	trans	-57.8	-42.3	175.1	179	-96.7	0	0	0	112.6	T238 L241 E242 L245 Q266 A267 E273 H274	T238-F270 HydrophobicContact CG2-CB 3.96Å; T238-F270 HydrophobicContact CG2-CD1 4.22Å; T238-F270 HydrophobicContact CG2-CD2 3.45Å; T238-F270 VanDerWaalsContact CG2-CD2 3.45Å; T238-F270 HydrophobicContact CG2-CE2 3.92Å; T238-F270 HydrophobicContact CG2-CG 3.61Å; T238-F270 HydrophobicContact CG2-CZ 4.48Å; L241-F270 HydrophobicContact CB-CD1 3.95Å; L241-F270 HydrophobicContact CB-CE1 3.77Å; L241-F270 HydrophobicContact CD1-CD1 4.21Å; E242-F270 HydrophobicContact CB-CZ 3.88Å; E242-F270 HydrophobicContact CG-CZ 4.36Å; L245-F270 HydrophobicContact CD1-CE1 3.79Å; L245-F270 HydrophobicContact CD1-CZ 4.46Å; Q266-F270 PolarHBondContact O-N 3.43Å; A267-F270 PolarHBondContact O-N 3.43Å; F270-E273 PolarHBondContact O-N 3.43Å; F270-H274 AromaticContact CD2-CE1 3.7Å; F270-H274 AromaticContact CD2-ND1 3.35Å; F270-H274 WeakPolarHBondContact CD2-ND1 3.46Å; F270-H274 HydrophobicContact CE1-CB 4.11Å; F270-H274 HydrophobicContact CE2-CB 4.32Å; F270-H274 AromaticContact CE2-CE1 3.7Å; F270-H274 AromaticContact CE2-CG 3.67Å; F270-H274 AromaticContact CE2-ND1 3.44Å; F270-H274 WeakPolarHBondContact CE2-ND1 3.32Å; F270-H274 AromaticContact CG-ND1 3.9Å; F270-H274 HydrophobicContact CZ-CB 4.01Å; F270-H274 AromaticContact CZ-CG 3.85Å; F270-H274 WeakPolarHBondContact O-CB 3.32Å; F270-H274 PolarHBondContact O-N 3.49Å; F270-H274 PolarHBondContact O-ND1 2.87Å
271	L	98.5	Very high	96.1	Very high	1 Å²	1	60.8 Å²	60.8	1%	0.005	33%	0.33	C	S	.	.	H	α-helix	trans	-66.2	-36	178.7	-73.4	170.7	0	0	0	112.7	L241 A267 A268 E269 E273 N275 V283 A322 V324	L241-L271 HydrophobicContact CD1-CD1 4.1Å; L241-L271 HydrophobicContact CD1-CD2 4.08Å; L241-L271 HydrophobicContact CD1-CG 3.89Å; L241-L271 HydrophobicContact CD2-CD2 4.22Å; A267-L271 WeakPolarHBondContact O-CG 3.49Å; A267-L271 PolarHBondContact O-N 3.24Å; A268-L271 PolarHBondContact O-N 3.15Å; E269-L271 VanDerWaalsContact C-N 3.31Å; E269-L271 PolarHBondContact O-N 3.46Å; L271-E273 PolarHBondContact O-N 2.83Å; L271-N275 HydrophobicContact CB-CB 4.43Å; L271-N275 HydrophobicContact CD2-CB 3.68Å; L271-N275 WeakPolarHBondContact O-CA 3.44Å; L271-N275 WeakPolarHBondContact O-CB 3.34Å; L271-N275 PolarHBondContact O-N 3.37Å; L271-V283 HydrophobicContact CD1-CG1 4.33Å; L271-V283 HydrophobicContact CD1-CG2 4.49Å; L271-V283 HydrophobicContact CD2-CG2 4.17Å; L271-A322 HydrophobicContact CB-CB 4.07Å; L271-V324 HydrophobicContact CD1-CG2 3.51Å
272	K	97.8	Very high	96.3	Very high	82 Å²	82	59 Å²	59	36%	0.357	31%	0.308	S	S	.	.	H	α-helix	trans	-61.9	-34.6	174	-72.4	173.9	-175.9	168.3	0	112.6	A268 E269 T276 S321 A322	A268-K272 WeakPolarHBondContact O-CG 3.21Å; A268-K272 PolarHBondContact O-N 2.58Å; A268-K272 VanDerWaalsContact O-N 3.09Å; E269-K272 WeakPolarHBondContact O-CB 3.26Å; E269-K272 PolarHBondContact O-N 3.48Å; E269-K272 IonicContact OE2-NZ 2.78Å; K272-T276 WeakPolarHBondContact O-CG2 3.48Å; K272-S321 VanDerWaalsContact CE-O 3.28Å; K272-S321 WeakPolarHBondContact CE-O 3.49Å; K272-S321 WeakPolarHBondContact CE-OG 3.45Å; K272-S321 PolarHBondContact NZ-OG 2.79Å; K272-A322 HydrophobicContact CG-CB 3.71Å
273	E	97.4	Very high	96.4	Very high	121 Å²	121	55.2 Å²	55.2	57%	0.565	29%	0.289	S	S	*	.	H	α-helix	trans	-83.4	-42.5	-179.2	-68.5	179.4	171.2	0	0	111.9	E269 F270 L271	E269-E273 PolarHBondContact O-N 2.65Å; F270-E273 PolarHBondContact O-N 3.43Å; L271-E273 PolarHBondContact O-N 2.83Å
274	H	97.8	Very high	96.5	Very high	103 Å²	103	53.8 Å²	53.8	48%	0.477	28%	0.279	S	S	.	.	H	α-helix	trans	-110	-19.2	-164.3	-59.7	82	0	0	0	114.8	L245 F270	L245-H274 HydrophobicContact CD1-CB 4.04Å; F270-H274 AromaticContact CD2-CE1 3.7Å; F270-H274 AromaticContact CD2-ND1 3.35Å; F270-H274 WeakPolarHBondContact CD2-ND1 3.46Å; F270-H274 HydrophobicContact CE1-CB 4.11Å; F270-H274 HydrophobicContact CE2-CB 4.32Å; F270-H274 AromaticContact CE2-CE1 3.7Å; F270-H274 AromaticContact CE2-CG 3.67Å; F270-H274 AromaticContact CE2-ND1 3.44Å; F270-H274 WeakPolarHBondContact CE2-ND1 3.32Å; F270-H274 AromaticContact CG-ND1 3.9Å; F270-H274 HydrophobicContact CZ-CB 4.01Å; F270-H274 AromaticContact CZ-CG 3.85Å; F270-H274 WeakPolarHBondContact O-CB 3.32Å; F270-H274 PolarHBondContact O-N 3.49Å; F270-H274 PolarHBondContact O-ND1 2.87Å
275	N	97.3	Very high	96.6	Very high	22 Å²	22	53.8 Å²	53.8	12%	0.118	28%	0.279	C	S	.	.	S	Bend	trans	-108.8	56.3	-179	-168	40.6	0	0	0	111.6	L245 L271 R280 K281	L245-N275 HydrophobicContact CD1-CB 4.1Å; L245-N275 HydrophobicContact CD2-CB 4.06Å; L245-N275 WeakPolarHBondContact CD2-OD1 3.32Å; L271-N275 HydrophobicContact CB-CB 4.43Å; L271-N275 HydrophobicContact CD2-CB 3.68Å; L271-N275 WeakPolarHBondContact O-CA 3.44Å; L271-N275 WeakPolarHBondContact O-CB 3.34Å; L271-N275 PolarHBondContact O-N 3.37Å; N275-R280 WeakPolarHBondContact O-CB 3.48Å; N275-R280 WeakPolarHBondContact OD1-CA 3.23Å; N275-K281 PolarHBondContact ND2-O 2.86Å; N275-K281 PolarHBondContact OD1-N 2.83Å
276	T	92.4	Very high	96.6	Very high	86 Å²	86	52.5 Å²	52.5	53%	0.528	27%	0.272	S	S	.	.			trans	-118.3	168.6	-174.5	62.4	0	0	0	0	112.4	K272	K272-T276 WeakPolarHBondContact O-CG2 3.48Å
277	G	91.4	Very high	96.6	Very high	46 Å²	46	49.4 Å²	49.4	47%	0.474	26%	0.258	S	S	.	.	S	Bend	trans	74.7	-167.1	175.1	0	0	0	0	0	114.7	N279 R280	G277-N279 VanDerWaalsContact C-N 3.29Å; G277-N279 PolarHBondContact O-N 3.39Å; G277-R280 WeakPolarHBondContact O-CB 3.27Å; G277-R280 WeakPolarHBondContact O-CG 3.31Å; G277-R280 PolarHBondContact O-N 3.13Å
278	P	89.2	Confident	96.6	Very high	110 Å²	110	50.5 Å²	50.5	71%	0.714	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-21.2	-170.7	27	-35	0	0	0	114.2
279	N	90.3	Very high	96.4	Very high	148 Å²	148	51.7 Å²	51.7	79%	0.791	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.7	10.6	-179	-63.5	-28.6	0	0	0	112.9	G277	G277-N279 VanDerWaalsContact C-N 3.29Å; G277-N279 PolarHBondContact O-N 3.39Å
280	R	94.7	Very high	96.2	Very high	128 Å²	128	51.2 Å²	51.2	48%	0.483	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-58.8	141.2	178.9	72.2	-178.6	-174	177.2	0.2	110.7	N275 G277 L344	N275-R280 WeakPolarHBondContact O-CB 3.48Å; N275-R280 WeakPolarHBondContact OD1-CA 3.23Å; G277-R280 WeakPolarHBondContact O-CB 3.27Å; G277-R280 WeakPolarHBondContact O-CG 3.31Å; G277-R280 PolarHBondContact O-N 3.13Å; R280-L344 HydrophobicContact CG-CD2 4.37Å
281	K	97.5	Very high	96	Very high	29 Å²	29	56.8 Å²	56.8	13%	0.126	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-92.1	137.9	174.5	-57.3	-173	-172.8	-175.5	0	109	F244 L245 D247 T250 N275 V283	F244-K281 PolarHBondContact O-NZ 3.21Å; L245-K281 HydrophobicContact CD2-CB 4.34Å; L245-K281 HydrophobicContact CD2-CD 4.22Å; L245-K281 HydrophobicContact CD2-CG 4.31Å; L245-K281 VanDerWaalsContact O-CE 3.26Å; L245-K281 WeakPolarHBondContact O-CE 3.29Å; L245-K281 PolarHBondContact O-NZ 3.03Å; D247-K281 PolarHBondContact O-NZ 3.19Å; T250-K281 WeakPolarHBondContact O-CD 3.19Å; T250-K281 VanDerWaalsContact O-CE 3.29Å; T250-K281 WeakPolarHBondContact O-CE 3.36Å; T250-K281 PolarHBondContact O-NZ 3.25Å; N275-K281 PolarHBondContact ND2-O 2.86Å; N275-K281 PolarHBondContact OD1-N 2.83Å; K281-V283 PolarHBondContact O-N 3.46Å
282	P	97.8	Very high	95.7	Very high	14 Å²	14	57.4 Å²	57.4	9%	0.091	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-68.1	134.9	176.2	27.9	-26.1	0	0	0	109.3	K251 I253 A340 I341 L344	K251-P282 VanDerWaalsContact O-CD 3.23Å; K251-P282 WeakPolarHBondContact O-CD 3.07Å; I253-P282 PolarHBondContact N-O 3.14Å; P282-A340 HydrophobicContact CB-CB 4.34Å; P282-I341 HydrophobicContact CB-CG1 4.49Å; P282-I341 HydrophobicContact CG-CG1 3.65Å; P282-L344 HydrophobicContact CB-CD1 3.94Å; P282-L344 HydrophobicContact CB-CG 4.49Å; P282-L344 HydrophobicContact CG-CD1 3.63Å
283	V	98.7	Very high	95.3	Very high	6 Å²	6	56.5 Å²	56.5	4%	0.036	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	125.7	-179.9	-169.9	0	0	0	0	108.9	I253 L271 K281 V324 V325	I253-V283 HydrophobicContact CB-CG1 4.27Å; I253-V283 HydrophobicContact CB-CG2 4.23Å; I253-V283 HydrophobicContact CD1-CG2 4.5Å; I253-V283 HydrophobicContact CG2-CG1 4.26Å; I253-V283 WeakPolarHBondContact O-CA 3.4Å; L271-V283 HydrophobicContact CD1-CG1 4.33Å; L271-V283 HydrophobicContact CD1-CG2 4.49Å; L271-V283 HydrophobicContact CD2-CG2 4.17Å; K281-V283 PolarHBondContact O-N 3.46Å; V283-V324 HydrophobicContact CB-CG1 4.24Å; V283-V324 HydrophobicContact CB-CG2 4.11Å; V283-V324 HydrophobicContact CG1-CG1 3.95Å; V283-V324 HydrophobicContact CG1-CG2 4.07Å; V283-V324 WeakPolarHBondContact O-CG1 3.02Å; V283-V325 PolarHBondContact O-N 3.39Å
284	V	98.7	Very high	94.9	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	144.8	170.3	169.2	0	0	0	0	109.6	I253 I254 L255 V325 T327 I333 T336 L337 A340	I253-V284 PolarHBondContact O-N 3.01Å; I254-V284 CarbonylContact C-O 3.56Å; I254-V284 VanDerWaalsContact CA-O 3.32Å; I254-V284 WeakPolarHBondContact CA-O 3.46Å; L255-V284 PolarHBondContact N-O 3.06Å; V284-V325 VanDerWaalsContact CA-O 3.3Å; V284-V325 WeakPolarHBondContact CA-O 3.28Å; V284-V325 HydrophobicContact CG2-CB 4.21Å; V284-T327 HydrophobicContact CG1-CG2 4.5Å; V284-I333 HydrophobicContact CG1-CG2 4.44Å; V284-T336 HydrophobicContact CG1-CG2 3.98Å; V284-T336 HydrophobicContact CG2-CG2 3.89Å; V284-L337 HydrophobicContact CB-CB 4.4Å; V284-L337 HydrophobicContact CB-CD1 3.98Å; V284-L337 HydrophobicContact CG2-CB 3.97Å; V284-L337 HydrophobicContact CG2-CD1 3.64Å; V284-L337 HydrophobicContact CG2-CG 4.45Å; V284-A340 HydrophobicContact CG2-CB 4.1Å
285	S	98.8	Very high	94.4	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	152.4	175.5	-173.8	0	0	0	0	113.2	L255 V325 V326 T327	L255-S285 WeakPolarHBondContact O-CA 3.43Å; L255-S285 WeakPolarHBondContact O-CB 3.35Å; L255-S285 PolarHBondContact O-OG 2.69Å; S285-V325 PolarHBondContact N-O 2.88Å; S285-V326 CarbonylContact O-C 3.54Å; S285-V326 WeakPolarHBondContact O-CA 3.33Å; S285-T327 WeakPolarHBondContact O-CG2 3.31Å; S285-T327 PolarHBondContact O-N 2.97Å
286	F	98.6	Very high	94	Very high	23 Å²	23	60.2 Å²	60.2	10%	0.101	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	132.9	163.8	171.8	-101.5	0	0	0	108.3	L206 L255 L256 G257 A288 T327 P330 I333	L206-F286 HydrophobicContact CD1-CD1 4.2Å; L206-F286 HydrophobicContact CD1-CE1 4.1Å; L206-F286 HydrophobicContact CD2-CD1 4.34Å; L206-F286 HydrophobicContact CD2-CE1 4.09Å; L255-F286 PolarHBondContact O-N 2.82Å; L256-F286 HydrophobicContact CD2-CB 4Å; G257-F286 PolarHBondContact N-O 3.09Å; F286-A288 HydrophobicContact CE1-CB 3.88Å; F286-T327 HydrophobicContact CB-CG2 3.94Å; F286-T327 HydrophobicContact CD2-CG2 4.36Å; F286-T327 WeakPolarHBondContact CD2-O 3.38Å; F286-P330 HydrophobicContact CD1-CB 4.17Å; F286-P330 HydrophobicContact CD2-CB 4.34Å; F286-P330 HydrophobicContact CE1-CB 3.89Å; F286-P330 HydrophobicContact CE1-CG 4.42Å; F286-P330 HydrophobicContact CE2-CB 4.09Å; F286-P330 HydrophobicContact CE2-CG 4.21Å; F286-P330 HydrophobicContact CG-CB 4.38Å; F286-P330 HydrophobicContact CZ-CB 3.86Å; F286-P330 HydrophobicContact CZ-CG 3.95Å; F286-I333 HydrophobicContact CB-CD1 4.27Å; F286-I333 HydrophobicContact CB-CG1 4.28Å
287	I	98.3	Very high	93.9	Very high	3 Å²	3	63.7 Å²	63.7	2%	0.015	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	112	177.3	-55.6	-56.2	0	0	0	109.7	E264 A312 K315 M316 L319	E264-I287 HydrophobicContact CG-CD1 3.94Å; I287-A312 HydrophobicContact CG2-CB 3.74Å; I287-K315 HydrophobicContact CG1-CB 4.35Å; I287-K315 HydrophobicContact CG2-CB 4.23Å; I287-K315 HydrophobicContact CG2-CD 4.2Å; I287-M316 HydrophobicContact CB-CG 3.93Å; I287-M316 HydrophobicContact CG1-CG 3.87Å; I287-L319 HydrophobicContact CD1-CD1 3.7Å; I287-L319 HydrophobicContact CG1-CD1 4.07Å
288	A	97.3	Very high	93.9	Very high	22 Å²	22	65.9 Å²	65.9	18%	0.182	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	151.8	177.2	0	0	0	0	0	112.3	L206 G257 E258 I259 F286	L206-A288 HydrophobicContact CD1-CB 3.97Å; G257-A288 PolarHBondContact O-N 2.99Å; E258-A288 CarbonylContact C-O 3.55Å; E258-A288 WeakPolarHBondContact CA-O 3.36Å; E258-A288 HydrophobicContact CB-CB 3.96Å; I259-A288 PolarHBondContact N-O 2.84Å; I259-A288 VanDerWaalsContact N-O 3.11Å; F286-A288 HydrophobicContact CE1-CB 3.88Å
289	G	95.4	Very high	94.1	Very high	26 Å²	26	64 Å²	64	27%	0.268	36%	0.362	S	S	.	.			trans	93.7	20.2	172.4	0	0	0	0	0	115.6	I259 T291 A292	I259-G289 WeakPolarHBondContact CG2-O 3.5Å; G289-T291 PolarHBondContact O-N 3.35Å; G289-T291 VanDerWaalsContact O-N 3.13Å; G289-A292 VanDerWaalsContact O-CB 3.29Å; G289-A292 WeakPolarHBondContact O-CB 3.44Å; G289-A292 PolarHBondContact O-N 2.94Å
290	V	93.6	Very high	94.1	Very high	84 Å²	84	58.9 Å²	58.9	51%	0.509	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-30.8	172.4	179.2	0	0	0	0	112.5	A312 M316	V290-A312 HydrophobicContact CB-CB 4.48Å; V290-A312 HydrophobicContact CG2-CB 3.9Å; V290-M316 HydrophobicContact CG2-SD 4.03Å
291	T	93.6	Very high	93.9	Very high	138 Å²	138	54 Å²	54	85%	0.847	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.8	9.3	179.4	55.8	0	0	0	0	113.8	G289	G289-T291 PolarHBondContact O-N 3.35Å; G289-T291 VanDerWaalsContact O-N 3.13Å
292	A	93	Very high	93.5	Very high	15 Å²	15	52.9 Å²	52.9	12%	0.124	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-71.3	134.6	-177.2	0	0	0	0	0	111.5	I259 G289 M298 I305	I259-A292 HydrophobicContact CD1-CB 3.6Å; G289-A292 VanDerWaalsContact O-CB 3.29Å; G289-A292 WeakPolarHBondContact O-CB 3.44Å; G289-A292 PolarHBondContact O-N 2.94Å; A292-M298 HydrophobicContact CB-CG 4.07Å; A292-I305 HydrophobicContact CB-CD1 4.48Å
293	P	89.3	Confident	93.2	Very high	63 Å²	63	52.4 Å²	52.4	41%	0.409	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-70	141.8	176.7	27.4	-33.1	0	0	0	111.5	R296 M298	P293-R296 HydrophobicContact CB-CG 4.35Å; P293-R296 HydrophobicContact CG-CB 4.1Å; P293-R296 HydrophobicContact CG-CG 3.95Å; P293-M298 HydrophobicContact CG-SD 4.43Å
294	P	88.6	Confident	92.9	Very high	104 Å²	104	54.3 Å²	54.3	68%	0.675	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	147.5	175.5	-24.3	34	0	0	0	113.5	R296	P294-R296 VanDerWaalsContact C-N 3.25Å; P294-R296 PolarHBondContact O-N 3.22Å
295	G	87.4	Confident	92.4	Very high	52 Å²	52	55.6 Å²	55.6	54%	0.536	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.2	6.5	174.3	0	0	0	0	0	115.8	I305	G295-I305 WeakPolarHBondContact CA-O 3.33Å; G295-I305 PolarHBondContact N-O 3.11Å
296	R	89.6	Confident	91.7	Very high	167 Å²	167	58.6 Å²	58.6	63%	0.63	35%	0.351	S	S	*	.			trans	-111.3	137.7	179.8	-60.5	-68.3	-72.5	-105.4	-2.5	110.9	P293 P294 M298	P293-R296 HydrophobicContact CB-CG 4.35Å; P293-R296 HydrophobicContact CG-CB 4.1Å; P293-R296 HydrophobicContact CG-CG 3.95Å; P294-R296 VanDerWaalsContact C-N 3.25Å; P294-R296 PolarHBondContact O-N 3.22Å; R296-M298 HydrophobicContact CB-SD 4.17Å
297	R	90.5	Very high	90.8	Very high	159 Å²	159	65.5 Å²	65.5	60%	0.6	39%	0.388	S	S	*	.			trans	-81	128.3	169.2	-65.6	-177.8	-176.4	166.8	0.6	109.5	A303 I304	R297-A303 WeakPolarHBondContact CA-O 3.46Å; R297-I304 HydrophobicContact CG-CB 4.21Å; R297-I304 HydrophobicContact CG-CD1 4.01Å
298	M	91.5	Very high	89.9	Confident	93 Å²	93	68.7 Å²	68.7	46%	0.458	42%	0.422	S	S	.	.			trans	-104.2	70.8	-175.2	-56.6	-53.1	-63.1	0	0	111.4	I259 A292 P293 R296 H300 A303	I259-M298 HydrophobicContact CD1-CG 3.86Å; A292-M298 HydrophobicContact CB-CG 4.07Å; P293-M298 HydrophobicContact CG-SD 4.43Å; R296-M298 HydrophobicContact CB-SD 4.17Å; M298-H300 VanDerWaalsContact C-N 3.29Å; M298-H300 PolarHBondContact O-N 3.31Å; M298-A303 HydrophobicContact CB-CB 4.07Å; M298-A303 PolarHBondContact N-O 3.06Å
299	G	92.3	Very high	89.2	Confident	70 Å²	70	75.6 Å²	75.6	72%	0.722	45%	0.448	S	S	*	.	S	Bend	trans	74.9	-77.7	-175.7	0	0	0	0	0	111.5
300	H	91.9	Very high	88.8	Confident	41 Å²	41	74.6 Å²	74.6	19%	0.19	44%	0.437	C	S	.	.	S	Bend	trans	-57.3	136.9	175	-70.6	166.5	0	0	0	111.8	R202 E258 M298 G302 A303	R202-H300 PolarHBondContact O-CE1 3Å; E258-H300 VanDerWaalsContact CD-ND1 3.3Å; E258-H300 IonicContact OE1-CG 2.8Å; E258-H300 IonicContact OE1-ND1 3.62Å; E258-H300 PolarHBondContact OE1-ND1 3.45Å; E258-H300 IonicContact OE2-CE1 3.79Å; E258-H300 PolarHBondContact OE2-CE1 3.47Å; E258-H300 IonicContact OE2-ND1 3.83Å; E258-H300 PolarHBondContact OE2-ND1 3Å; M298-H300 VanDerWaalsContact C-N 3.29Å; M298-H300 PolarHBondContact O-N 3.31Å; H300-G302 PolarHBondContact O-N 2.81Å; H300-A303 HydrophobicContact CB-CB 3.82Å; H300-A303 PolarHBondContact O-N 3.16Å; H300-A303 VanDerWaalsContact O-N 3.08Å
301	A	89.3	Confident	88.7	Confident	26 Å²	26	71 Å²	71	22%	0.215	42%	0.418	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-28.8	-178.5	0	0	0	0	0	113.1
302	G	89	Confident	88.8	Confident	5 Å²	5	64.6 Å²	64.6	5%	0.052	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-10	177	0	0	0	0	0	114.8	R202 G229 G260 H300 I304	R202-G302 PolarHBondContact NH2-O 3.21Å; G229-G302 WeakPolarHBondContact O-CA 3.36Å; G229-G302 PolarHBondContact O-N 3.06Å; G260-G302 WeakPolarHBondContact CA-O 3.49Å; H300-G302 PolarHBondContact O-N 2.81Å; G302-I304 PolarHBondContact O-N 2.76Å
303	A	92.7	Very high	88.9	Confident	3 Å²	3	71 Å²	71	3%	0.025	40%	0.404	C	S	.	.			trans	-83.9	74.1	-178.6	0	0	0	0	0	111.8	I259 R297 M298 H300	I259-A303 HydrophobicContact CD1-CB 4.41Å; I259-A303 HydrophobicContact CG1-CB 4.1Å; I259-A303 WeakPolarHBondContact O-CA 3.4Å; R297-A303 WeakPolarHBondContact CA-O 3.46Å; M298-A303 HydrophobicContact CB-CB 4.07Å; M298-A303 PolarHBondContact N-O 3.06Å; H300-A303 HydrophobicContact CB-CB 3.82Å; H300-A303 PolarHBondContact O-N 3.16Å; H300-A303 VanDerWaalsContact O-N 3.08Å
304	I	91.3	Very high	89.1	Confident	47 Å²	47	73.1 Å²	73.1	24%	0.241	41%	0.408	C	S	.	.			trans	-142.9	134	178.9	-177	167.5	0	0	0	111.6	G260 R297 G302	G260-I304 WeakPolarHBondContact CA-O 3.39Å; R297-I304 HydrophobicContact CG-CB 4.21Å; R297-I304 HydrophobicContact CG-CD1 4.01Å; G302-I304 PolarHBondContact O-N 2.76Å
305	I	89.1	Confident	89.6	Confident	26 Å²	26	68.1 Å²	68.1	13%	0.133	38%	0.376	C	S	.	.			trans	-88.1	118.7	168	-55.9	168	0	0	0	107.5	I259 A292 G295	I259-I305 HydrophobicContact CB-CG1 3.98Å; I259-I305 HydrophobicContact CD1-CG1 4.05Å; I259-I305 HydrophobicContact CG2-CD1 4.05Å; I259-I305 HydrophobicContact CG2-CG1 3.98Å; A292-I305 HydrophobicContact CB-CD1 4.48Å; G295-I305 WeakPolarHBondContact CA-O 3.33Å; G295-I305 PolarHBondContact N-O 3.11Å
306	S	83.3	Confident	90.1	Very high	63 Å²	63	67.5 Å²	67.5	44%	0.441	36%	0.36	S	S	.	.	B	Isolated β-bridge	trans	-131.8	134.3	-175.3	-172.3	0	0	0	0	111.2	G308 K309	S306-G308 PolarHBondContact O-N 2.97Å; S306-G308 VanDerWaalsContact O-N 3.15Å; S306-K309 PolarHBondContact N-O 2.83Å; S306-K309 PolarHBondContact O-N 2.89Å
307	L	80.5	Confident	90.4	Very high	169 Å²	169	62.1 Å²	62.1	89%	0.885	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.2	39.6	176.9	-58.2	174.4	0	0	0	113.6	K309	L307-K309 PolarHBondContact O-N 2.96Å
308	G	78.4	Confident	90.8	Very high	70 Å²	70	55.5 Å²	55.5	72%	0.722	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.2	7	-178.6	0	0	0	0	0	115.2	S306	S306-G308 PolarHBondContact O-N 2.97Å; S306-G308 VanDerWaalsContact O-N 3.15Å
309	K	83.7	Confident	91.1	Very high	166 Å²	166	51 Å²	51	72%	0.722	31%	0.308	S	S	*	.	B	Isolated β-bridge	trans	-111.1	153.3	178.1	-64.5	-176.5	175.6	-175.2	0	111.7	S306 L307	S306-K309 PolarHBondContact N-O 2.83Å; S306-K309 PolarHBondContact O-N 2.89Å; L307-K309 PolarHBondContact O-N 2.96Å
310	G	86.1	Confident	91.4	Very high	5 Å²	5	52.6 Å²	52.6	5%	0.052	30%	0.296	C	S	.	.	S	Bend	trans	82.8	17.2	177.3	0	0	0	0	0	114.4	I259 G260	I259-G310 CarbonylContact C-O 3.57Å; I259-G310 WeakPolarHBondContact CA-O 3.41Å; I259-G310 WeakPolarHBondContact CB-O 3.41Å; G260-G310 PolarHBondContact N-O 3.14Å
311	G	92.1	Very high	91.7	Very high	9 Å²	9	54 Å²	54	9%	0.093	31%	0.311	C	S	.	.			trans	-67	151.5	172.4	0	0	0	0	0	112	E314 K315	G311-E314 VanDerWaalsContact C-OE2 3.23Å; G311-E314 WeakPolarHBondContact CA-OE2 3.38Å; G311-K315 WeakPolarHBondContact O-CG 2.99Å
312	A	94.8	Very high	92.1	Very high	4 Å²	4	53.7 Å²	53.7	3%	0.033	31%	0.308	C	S	.	.	H	α-helix	trans	-69	-34.6	-179.9	0	0	0	0	0	112.2	I259 I287 V290 E314 K315 M316	I259-A312 HydrophobicContact CG2-CB 4.02Å; I287-A312 HydrophobicContact CG2-CB 3.74Å; V290-A312 HydrophobicContact CB-CB 4.48Å; V290-A312 HydrophobicContact CG2-CB 3.9Å; A312-E314 PolarHBondContact O-N 2.81Å; A312-K315 WeakPolarHBondContact O-CB 3.39Å; A312-K315 PolarHBondContact O-N 3.3Å; A312-M316 WeakPolarHBondContact O-CG 3.11Å; A312-M316 PolarHBondContact O-N 3.18Å
313	K	95	Very high	92.4	Very high	149 Å²	149	56.2 Å²	56.2	65%	0.648	33%	0.334	S	S	*	.	H	α-helix	trans	-64.9	-42.2	-175.1	-68.7	-175.5	178.3	-178.6	0	112.2	K315 M316 A317	K313-K315 VanDerWaalsContact C-N 3.33Å; K313-M316 PolarHBondContact O-N 3.49Å; K313-A317 WeakPolarHBondContact O-CB 3.49Å; K313-A317 PolarHBondContact O-N 3.24Å
314	E	94.8	Very high	92.7	Very high	107 Å²	107	56.3 Å²	56.3	50%	0.5	34%	0.335	S	S	.	.	H	α-helix	trans	-64.7	-40.4	178.3	-62.7	75.3	-166.5	0	0	110.9	G311 A312 A317 A318	G311-E314 VanDerWaalsContact C-OE2 3.23Å; G311-E314 WeakPolarHBondContact CA-OE2 3.38Å; A312-E314 PolarHBondContact O-N 2.81Å; E314-A317 PolarHBondContact O-N 2.95Å; E314-A318 WeakPolarHBondContact O-CB 3.03Å; E314-A318 PolarHBondContact O-N 3.33Å
315	K	97.5	Very high	93	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-62.8	-46.8	174.7	-65.9	175.9	-178.9	-63.2	0	112.1	E258 G260 G261 E264 E265 I287 G311 A312 K313 A318 L319	E258-K315 WeakPolarHBondContact O-CD 3.38Å; E258-K315 WeakPolarHBondContact O-CE 3.2Å; G260-K315 PolarHBondContact O-NZ 2.9Å; G261-K315 PolarHBondContact O-NZ 3.39Å; E264-K315 HydrophobicContact CB-CB 4.05Å; E264-K315 HydrophobicContact CB-CD 4.05Å; E264-K315 HydrophobicContact CB-CG 3.96Å; E264-K315 HydrophobicContact CG-CD 4.07Å; E264-K315 IonicContact OE2-NZ 2.73Å; E264-K315 PolarHBondContact OE2-NZ 2.9Å; E265-K315 HydrophobicContact CG-CG 4.46Å; E265-K315 IonicContact OE1-NZ 3.98Å; E265-K315 PolarHBondContact OE1-NZ 3.32Å; E265-K315 WeakPolarHBondContact OE2-CG 3.46Å; E265-K315 IonicContact OE2-NZ 2.74Å; E265-K315 PolarHBondContact OE2-NZ 2.94Å; I287-K315 HydrophobicContact CG1-CB 4.35Å; I287-K315 HydrophobicContact CG2-CB 4.23Å; I287-K315 HydrophobicContact CG2-CD 4.2Å; G311-K315 WeakPolarHBondContact O-CG 2.99Å; A312-K315 WeakPolarHBondContact O-CB 3.39Å; A312-K315 PolarHBondContact O-N 3.3Å; K313-K315 VanDerWaalsContact C-N 3.33Å; K315-A318 PolarHBondContact O-N 2.81Å; K315-L319 WeakPolarHBondContact O-CG 3.48Å; K315-L319 PolarHBondContact O-N 2.91Å
316	M	97.8	Very high	93.5	Very high	39 Å²	39	57 Å²	57	19%	0.192	34%	0.341	C	S	.	.	H	α-helix	trans	-59.3	-50.1	177.2	-66.1	169.8	65.4	0	0	110.6	I287 V290 A312 K313 A318 L319 E320 V326	I287-M316 HydrophobicContact CB-CG 3.93Å; I287-M316 HydrophobicContact CG1-CG 3.87Å; V290-M316 HydrophobicContact CG2-SD 4.03Å; A312-M316 WeakPolarHBondContact O-CG 3.11Å; A312-M316 PolarHBondContact O-N 3.18Å; K313-M316 PolarHBondContact O-N 3.49Å; M316-A318 VanDerWaalsContact C-N 3.33Å; M316-A318 PolarHBondContact O-N 3.3Å; M316-L319 PolarHBondContact O-N 3.47Å; M316-E320 WeakPolarHBondContact O-CB 3.41Å; M316-E320 VanDerWaalsContact O-CG 3.29Å; M316-E320 WeakPolarHBondContact O-CG 3.34Å; M316-E320 PolarHBondContact O-N 3.41Å; M316-V326 HydrophobicContact CB-CG1 4.2Å; M316-V326 HydrophobicContact CE-CG1 3.88Å; M316-V326 HydrophobicContact CG-CG1 3.89Å
317	A	97.7	Very high	94.1	Very high	53 Å²	53	54.3 Å²	54.3	44%	0.438	32%	0.323	S	S	.	.	H	α-helix	trans	-61.6	-39	179	0	0	0	0	0	112.7	K313 E314 S321	K313-A317 WeakPolarHBondContact O-CB 3.49Å; K313-A317 PolarHBondContact O-N 3.24Å; E314-A317 PolarHBondContact O-N 2.95Å; A317-S321 WeakPolarHBondContact O-CB 3.41Å; A317-S321 PolarHBondContact O-N 2.84Å
318	A	98	Very high	94.8	Very high	20 Å²	20	51.9 Å²	51.9	17%	0.165	32%	0.317	C	S	.	.	H	α-helix	trans	-61.4	-49.8	175.2	0	0	0	0	0	111.1	E265 A268 E314 K315 M316 S321 A322	E265-A318 HydrophobicContact CB-CB 4.42Å; E265-A318 HydrophobicContact CG-CB 4.13Å; A268-A318 VanDerWaalsContact CB-C 3.46Å; A268-A318 HydrophobicContact CB-CB 3.92Å; A268-A318 WeakPolarHBondContact CB-O 3.44Å; E314-A318 WeakPolarHBondContact O-CB 3.03Å; E314-A318 PolarHBondContact O-N 3.33Å; K315-A318 PolarHBondContact O-N 2.81Å; M316-A318 VanDerWaalsContact C-N 3.33Å; M316-A318 PolarHBondContact O-N 3.3Å; A318-S321 PolarHBondContact O-N 3.31Å; A318-S321 PolarHBondContact O-OG 2.98Å; A318-A322 PolarHBondContact O-N 3.4Å
319	L	98.5	Very high	95.7	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-63.1	-44.1	179.1	-70.7	165.9	0	0	0	112.2	L255 E264 A268 I287 K315 M316 S321 A322 G323 V324 V326	L255-L319 HydrophobicContact CD1-CD2 4.39Å; L255-L319 HydrophobicContact CD2-CD1 4.31Å; E264-L319 HydrophobicContact CB-CD1 4.46Å; A268-L319 HydrophobicContact CB-CD2 4.06Å; A268-L319 HydrophobicContact CB-CG 4.37Å; I287-L319 HydrophobicContact CD1-CD1 3.7Å; I287-L319 HydrophobicContact CG1-CD1 4.07Å; K315-L319 WeakPolarHBondContact O-CG 3.48Å; K315-L319 PolarHBondContact O-N 2.91Å; M316-L319 PolarHBondContact O-N 3.47Å; L319-S321 VanDerWaalsContact C-N 3.29Å; L319-S321 PolarHBondContact O-N 3.25Å; L319-A322 CarbonylContact O-C 2.98Å; L319-A322 WeakPolarHBondContact O-CA 3.45Å; L319-A322 WeakPolarHBondContact O-CB 3.28Å; L319-A322 PolarHBondContact O-N 3.28Å; L319-G323 PolarHBondContact O-N 2.81Å; L319-V324 HydrophobicContact CB-CB 4Å; L319-V324 HydrophobicContact CB-CG1 4.3Å; L319-V324 HydrophobicContact CB-CG2 4.25Å; L319-V324 HydrophobicContact CD2-CG2 4.13Å; L319-V324 VanDerWaalsContact O-CB 3.26Å; L319-V324 WeakPolarHBondContact O-CB 3.34Å; L319-V324 WeakPolarHBondContact O-CG2 3.24Å; L319-V324 PolarHBondContact O-N 3.46Å; L319-V324 VanDerWaalsContact O-N 3.1Å; L319-V326 HydrophobicContact CB-CG2 3.92Å
320	E	98.2	Very high	96.3	Very high	103 Å²	103	45 Å²	45	48%	0.481	28%	0.277	S	S	.	.	H	α-helix	trans	-58.2	-42	174.7	-72.7	168.1	170.5	0	0	111.2	M316 A322 G323 V326	M316-E320 WeakPolarHBondContact O-CB 3.41Å; M316-E320 VanDerWaalsContact O-CG 3.29Å; M316-E320 WeakPolarHBondContact O-CG 3.34Å; M316-E320 PolarHBondContact O-N 3.41Å; E320-A322 PolarHBondContact O-N 3.32Å; E320-A322 VanDerWaalsContact O-N 3.15Å; E320-G323 PolarHBondContact O-N 3.05Å; E320-V326 HydrophobicContact CG-CB 4.09Å; E320-V326 HydrophobicContact CG-CG2 3.72Å
321	S	97.6	Very high	96.8	Very high	71 Å²	71	47.5 Å²	47.5	50%	0.497	30%	0.298	S	S	.	.	H	α-helix	trans	-64.6	-17	175.7	80.4	0	0	0	0	113.9	K272 A317 A318 L319	K272-S321 VanDerWaalsContact CE-O 3.28Å; K272-S321 WeakPolarHBondContact CE-O 3.49Å; K272-S321 WeakPolarHBondContact CE-OG 3.45Å; K272-S321 PolarHBondContact NZ-OG 2.79Å; A317-S321 WeakPolarHBondContact O-CB 3.41Å; A317-S321 PolarHBondContact O-N 2.84Å; A318-S321 PolarHBondContact O-N 3.31Å; A318-S321 PolarHBondContact O-OG 2.98Å; L319-S321 VanDerWaalsContact C-N 3.29Å; L319-S321 PolarHBondContact O-N 3.25Å
322	A	97.9	Very high	97.1	Very high	18 Å²	18	50.9 Å²	50.9	15%	0.149	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	5.9	174.1	0	0	0	0	0	113.3	A268 L271 K272 A318 L319 E320 V324	A268-A322 HydrophobicContact CB-CB 4.07Å; A268-A322 WeakPolarHBondContact O-CB 3.08Å; L271-A322 HydrophobicContact CB-CB 4.07Å; K272-A322 HydrophobicContact CG-CB 3.71Å; A318-A322 PolarHBondContact O-N 3.4Å; L319-A322 CarbonylContact O-C 2.98Å; L319-A322 WeakPolarHBondContact O-CA 3.45Å; L319-A322 WeakPolarHBondContact O-CB 3.28Å; L319-A322 PolarHBondContact O-N 3.28Å; E320-A322 PolarHBondContact O-N 3.32Å; E320-A322 VanDerWaalsContact O-N 3.15Å; A322-V324 VanDerWaalsContact C-N 3.35Å; A322-V324 HydrophobicContact CB-CG2 4.42Å
323	G	96.3	Very high	97.3	Very high	58 Å²	58	50.7 Å²	50.7	60%	0.598	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.4	14.4	-178.1	0	0	0	0	0	114.3	L319 E320	L319-G323 PolarHBondContact O-N 2.81Å; E320-G323 PolarHBondContact O-N 3.05Å
324	V	98.1	Very high	97.4	Very high	6 Å²	6	43.6 Å²	43.6	4%	0.036	28%	0.279	C	S	.	.			trans	-77.7	134.4	173.4	-178.9	0	0	0	0	109.5	L271 V283 L319 A322 V326	L271-V324 HydrophobicContact CD1-CG2 3.51Å; V283-V324 HydrophobicContact CB-CG1 4.24Å; V283-V324 HydrophobicContact CB-CG2 4.11Å; V283-V324 HydrophobicContact CG1-CG1 3.95Å; V283-V324 HydrophobicContact CG1-CG2 4.07Å; V283-V324 WeakPolarHBondContact O-CG1 3.02Å; L319-V324 HydrophobicContact CB-CB 4Å; L319-V324 HydrophobicContact CB-CG1 4.3Å; L319-V324 HydrophobicContact CB-CG2 4.25Å; L319-V324 HydrophobicContact CD2-CG2 4.13Å; L319-V324 VanDerWaalsContact O-CB 3.26Å; L319-V324 WeakPolarHBondContact O-CB 3.34Å; L319-V324 WeakPolarHBondContact O-CG2 3.24Å; L319-V324 PolarHBondContact O-N 3.46Å; L319-V324 VanDerWaalsContact O-N 3.1Å; A322-V324 VanDerWaalsContact C-N 3.35Å; A322-V324 HydrophobicContact CB-CG2 4.42Å; V324-V326 HydrophobicContact CG1-CG2 4.35Å; V324-V326 PolarHBondContact O-N 3.19Å
325	V	98.1	Very high	97.5	Very high	67 Å²	67	44.9 Å²	44.9	41%	0.406	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	104.7	173.3	-177.4	0	0	0	0	108.8	V283 V284 S285 T336 A340	V283-V325 PolarHBondContact O-N 3.39Å; V284-V325 VanDerWaalsContact CA-O 3.3Å; V284-V325 WeakPolarHBondContact CA-O 3.28Å; V284-V325 HydrophobicContact CG2-CB 4.21Å; S285-V325 PolarHBondContact N-O 2.88Å; V325-T336 HydrophobicContact CB-CG2 4.36Å; V325-T336 HydrophobicContact CG1-CG2 3.48Å; V325-T336 VanDerWaalsContact CG1-CG2 3.48Å; V325-A340 HydrophobicContact CG2-CB 4.18Å
326	V	98.3	Very high	97.6	Very high	19 Å²	19	46.2 Å²	46.2	12%	0.115	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	117.2	179.7	-177.7	0	0	0	0	109.8	S285 M316 L319 E320 V324	S285-V326 CarbonylContact O-C 3.54Å; S285-V326 WeakPolarHBondContact O-CA 3.33Å; M316-V326 HydrophobicContact CB-CG1 4.2Å; M316-V326 HydrophobicContact CE-CG1 3.88Å; M316-V326 HydrophobicContact CG-CG1 3.89Å; L319-V326 HydrophobicContact CB-CG2 3.92Å; E320-V326 HydrophobicContact CG-CB 4.09Å; E320-V326 HydrophobicContact CG-CG2 3.72Å; V324-V326 HydrophobicContact CG1-CG2 4.35Å; V324-V326 PolarHBondContact O-N 3.19Å
327	T	97.7	Very high	97.6	Very high	7 Å²	7	44.4 Å²	44.4	4%	0.043	28%	0.282	C	S	.	.			trans	-85.4	134.2	177.4	-171.3	0	0	0	0	110.9	V284 S285 F286 S329 I333 T336	V284-T327 HydrophobicContact CG1-CG2 4.5Å; S285-T327 WeakPolarHBondContact O-CG2 3.31Å; S285-T327 PolarHBondContact O-N 2.97Å; F286-T327 HydrophobicContact CB-CG2 3.94Å; F286-T327 HydrophobicContact CD2-CG2 4.36Å; F286-T327 WeakPolarHBondContact CD2-O 3.38Å; T327-S329 PolarHBondContact O-N 2.93Å; T327-S329 PolarHBondContact OG1-O 3.45Å; T327-I333 HydrophobicContact CG2-CG1 3.92Å; T327-T336 PolarHBondContact OG1-OG1 3.37Å
328	P	95.1	Very high	97.6	Very high	119 Å²	119	45.6 Å²	45.6	77%	0.773	28%	0.281	S	S	*	.	S	Bend	trans	-76.7	-11.9	178.8	31.5	-36.2	0	0	0	112.9
329	S	96.6	Very high	97.5	Very high	40 Å²	40	49.8 Å²	49.8	28%	0.28	30%	0.297	S	S	.	.			trans	-127.1	128	-174.6	178.5	0	0	0	0	111.4	T327 A331 Q332	T327-S329 PolarHBondContact O-N 2.93Å; T327-S329 PolarHBondContact OG1-O 3.45Å; S329-A331 PolarHBondContact O-N 3.12Å; S329-A331 VanDerWaalsContact O-N 3.08Å; S329-A331 PolarHBondContact OG-N 3.04Å; S329-Q332 PolarHBondContact O-N 3.43Å; S329-Q332 VanDerWaalsContact O-N 3.12Å
330	P	96.1	Very high	97.4	Very high	50 Å²	50	50.3 Å²	50.3	33%	0.325	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-63.9	-17	176.2	28.5	-33.4	0	0	0	112.2	L206 Q213 F286 Q332 I333	L206-P330 HydrophobicContact CD2-CB 4.19Å; Q213-P330 PolarHBondContact NE2-O 2.86Å; F286-P330 HydrophobicContact CD1-CB 4.17Å; F286-P330 HydrophobicContact CD2-CB 4.34Å; F286-P330 HydrophobicContact CE1-CB 3.89Å; F286-P330 HydrophobicContact CE1-CG 4.42Å; F286-P330 HydrophobicContact CE2-CB 4.09Å; F286-P330 HydrophobicContact CE2-CG 4.21Å; F286-P330 HydrophobicContact CG-CB 4.38Å; F286-P330 HydrophobicContact CZ-CB 3.86Å; F286-P330 HydrophobicContact CZ-CG 3.95Å; P330-Q332 VanDerWaalsContact C-N 3.33Å; P330-I333 VanDerWaalsContact O-CD1 3.27Å; P330-I333 WeakPolarHBondContact O-CD1 3.28Å; P330-I333 WeakPolarHBondContact O-CG1 3.43Å
331	A	97.5	Very high	97.3	Very high	59 Å²	59	47.4 Å²	47.4	49%	0.488	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-82.5	-4	178.8	0	0	0	0	0	114.4	Q213 S329	Q213-A331 PolarHBondContact OE1-O 2.89Å; S329-A331 PolarHBondContact O-N 3.12Å; S329-A331 VanDerWaalsContact O-N 3.08Å; S329-A331 PolarHBondContact OG-N 3.04Å
332	Q	97.7	Very high	97.2	Very high	79 Å²	79	47 Å²	47	37%	0.369	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-113.3	-0.3	-176.2	-62.1	-58	-42.6	0	0	113.7	S329 P330 G334 K335 T336	S329-Q332 PolarHBondContact O-N 3.43Å; S329-Q332 VanDerWaalsContact O-N 3.12Å; P330-Q332 VanDerWaalsContact C-N 3.33Å; Q332-G334 VanDerWaalsContact C-N 3.35Å; Q332-G334 PolarHBondContact O-N 3.08Å; Q332-K335 PolarHBondContact O-N 3Å; Q332-T336 WeakPolarHBondContact O-CB 3.47Å; Q332-T336 PolarHBondContact O-N 3.46Å; Q332-T336 PolarHBondContact O-OG1 2.9Å
333	I	98.2	Very high	96.8	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-49.3	-52.1	-174.3	-61.3	164.9	0	0	0	111.9	A210 I254 L256 V284 F286 T327 P330 T336 L337	A210-I333 HydrophobicContact CB-CD1 4.27Å; A210-I333 HydrophobicContact CB-CG2 4.04Å; I254-I333 HydrophobicContact CD1-CG2 3.67Å; I254-I333 HydrophobicContact CG1-CG2 4.21Å; I254-I333 HydrophobicContact CG2-CG2 3.82Å; L256-I333 HydrophobicContact CD2-CD1 3.83Å; V284-I333 HydrophobicContact CG1-CG2 4.44Å; F286-I333 HydrophobicContact CB-CD1 4.27Å; F286-I333 HydrophobicContact CB-CG1 4.28Å; T327-I333 HydrophobicContact CG2-CG1 3.92Å; P330-I333 VanDerWaalsContact O-CD1 3.27Å; P330-I333 WeakPolarHBondContact O-CD1 3.28Å; P330-I333 WeakPolarHBondContact O-CG1 3.43Å; I333-T336 PolarHBondContact O-N 2.67Å; I333-L337 PolarHBondContact O-N 2.93Å
334	G	97.5	Very high	96.2	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-67.1	-40.2	-176.8	0	0	0	0	0	113.6	Q332 L337 L338	Q332-G334 VanDerWaalsContact C-N 3.35Å; Q332-G334 PolarHBondContact O-N 3.08Å; G334-L337 PolarHBondContact O-N 3.39Å; G334-L338 PolarHBondContact O-N 3.21Å
335	K	97.7	Very high	94.9	Very high	135 Å²	135	55 Å²	55	59%	0.587	32%	0.321	S	S	*	.	H	α-helix	trans	-68.8	-42	176.9	-72.2	-179.2	177.3	-179.3	0	111.8	Q332 L337 L338 Q339	Q332-K335 PolarHBondContact O-N 3Å; K335-L337 VanDerWaalsContact C-N 3.29Å; K335-L337 PolarHBondContact O-N 3.46Å; K335-L338 PolarHBondContact O-N 2.94Å; K335-Q339 PolarHBondContact O-N 3.12Å
336	T	98.3	Very high	93.1	Very high	28 Å²	28	58.6 Å²	58.6	17%	0.172	34%	0.338	C	S	.	.	H	α-helix	trans	-60.4	-40.7	175.3	-58.7	0	0	0	0	110.8	V284 V325 T327 Q332 I333 Q339 A340	V284-T336 HydrophobicContact CG1-CG2 3.98Å; V284-T336 HydrophobicContact CG2-CG2 3.89Å; V325-T336 HydrophobicContact CB-CG2 4.36Å; V325-T336 HydrophobicContact CG1-CG2 3.48Å; V325-T336 VanDerWaalsContact CG1-CG2 3.48Å; T327-T336 PolarHBondContact OG1-OG1 3.37Å; Q332-T336 WeakPolarHBondContact O-CB 3.47Å; Q332-T336 PolarHBondContact O-N 3.46Å; Q332-T336 PolarHBondContact O-OG1 2.9Å; I333-T336 PolarHBondContact O-N 2.67Å; T336-Q339 PolarHBondContact O-N 3.26Å; T336-A340 WeakPolarHBondContact O-CB 3.3Å; T336-A340 PolarHBondContact O-N 3.18Å
337	L	98.2	Very high	90.9	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-66.8	-44.2	176.8	-172.1	69.5	0	0	0	112.1	V197 T214 L219 I254 V284 I333 G334 K335 Q339 A340 I341	V197-L337 HydrophobicContact CB-CD2 4.28Å; V197-L337 HydrophobicContact CG1-CD2 3.56Å; V197-L337 HydrophobicContact CG2-CD2 3.65Å; T214-L337 HydrophobicContact CG2-CD2 4.15Å; L219-L337 HydrophobicContact CD1-CD2 4.02Å; L219-L337 HydrophobicContact CD1-CG 4.34Å; I254-L337 HydrophobicContact CD1-CD2 3.87Å; I254-L337 HydrophobicContact CG1-CD1 4.46Å; I254-L337 HydrophobicContact CG1-CD2 3.81Å; V284-L337 HydrophobicContact CB-CB 4.4Å; V284-L337 HydrophobicContact CB-CD1 3.98Å; V284-L337 HydrophobicContact CG2-CB 3.97Å; V284-L337 HydrophobicContact CG2-CD1 3.64Å; V284-L337 HydrophobicContact CG2-CG 4.45Å; I333-L337 PolarHBondContact O-N 2.93Å; G334-L337 PolarHBondContact O-N 3.39Å; K335-L337 VanDerWaalsContact C-N 3.29Å; K335-L337 PolarHBondContact O-N 3.46Å; L337-Q339 VanDerWaalsContact C-N 3.28Å; L337-Q339 PolarHBondContact O-N 3.35Å; L337-A340 PolarHBondContact O-N 3.47Å; L337-I341 HydrophobicContact CG-CD1 4.08Å; L337-I341 VanDerWaalsContact O-CG1 3.3Å; L337-I341 WeakPolarHBondContact O-CG1 3.34Å; L337-I341 PolarHBondContact O-N 3.45Å
338	L	97.3	Very high	90.5	Very high	79 Å²	79	66 Å²	66	41%	0.414	39%	0.388	S	S	.	.	H	α-helix	trans	-56.8	-44.4	176.5	-174.6	68.6	0	0	0	111.3	V217 L219 G334 K335 I341 A342	V217-L338 HydrophobicContact CB-CD2 4.25Å; L219-L338 HydrophobicContact CD1-CB 4.44Å; L219-L338 HydrophobicContact CD1-CD1 4.38Å; L219-L338 HydrophobicContact CD2-CD1 4.21Å; L219-L338 HydrophobicContact CG-CD1 4.38Å; G334-L338 PolarHBondContact O-N 3.21Å; K335-L338 PolarHBondContact O-N 2.94Å; L338-I341 PolarHBondContact O-N 3.49Å; L338-A342 PolarHBondContact O-N 3.15Å; L338-A342 VanDerWaalsContact O-N 3.16Å
339	Q	97	Very high	90.3	Very high	108 Å²	108	63.2 Å²	63.2	51%	0.505	37%	0.367	S	S	.	.	H	α-helix	trans	-65.3	-46.3	175.7	-171.9	62.6	54.8	0	0	111.9	K335 T336 L337 I341 A342 D343	K335-Q339 PolarHBondContact O-N 3.12Å; T336-Q339 PolarHBondContact O-N 3.26Å; L337-Q339 VanDerWaalsContact C-N 3.28Å; L337-Q339 PolarHBondContact O-N 3.35Å; Q339-I341 PolarHBondContact O-N 2.81Å; Q339-A342 CarbonylContact O-C 3.57Å; Q339-A342 PolarHBondContact O-N 2.93Å; Q339-D343 PolarHBondContact NE2-OD1 2.62Å; Q339-D343 VanDerWaalsContact O-CG 3.24Å; Q339-D343 PolarHBondContact O-N 2.99Å
340	A	96.2	Very high	89.9	Confident	11 Å²	11	64.5 Å²	64.5	9%	0.091	37%	0.372	C	S	.	.	H	α-helix	trans	-61.8	-29.8	179.3	0	0	0	0	0	113	P282 V284 V325 T336 L337	P282-A340 HydrophobicContact CB-CB 4.34Å; V284-A340 HydrophobicContact CG2-CB 4.1Å; V325-A340 HydrophobicContact CG2-CB 4.18Å; T336-A340 WeakPolarHBondContact O-CB 3.3Å; T336-A340 PolarHBondContact O-N 3.18Å; L337-A340 PolarHBondContact O-N 3.47Å
341	I	96.1	Very high	89.5	Confident	42 Å²	42	65.4 Å²	65.4	22%	0.215	38%	0.375	C	S	.	.	H	α-helix	trans	-67.5	-49.6	170.5	-68.3	162.7	0	0	0	109.9	L219 P282 L337 L338 Q339 D343 L344 S347	L219-I341 HydrophobicContact CD1-CD1 4.04Å; L219-I341 HydrophobicContact CD2-CD1 3.84Å; P282-I341 HydrophobicContact CB-CG1 4.49Å; P282-I341 HydrophobicContact CG-CG1 3.65Å; L337-I341 HydrophobicContact CG-CD1 4.08Å; L337-I341 VanDerWaalsContact O-CG1 3.3Å; L337-I341 WeakPolarHBondContact O-CG1 3.34Å; L337-I341 PolarHBondContact O-N 3.45Å; L338-I341 PolarHBondContact O-N 3.49Å; Q339-I341 PolarHBondContact O-N 2.81Å; I341-D343 VanDerWaalsContact C-N 3.25Å; I341-D343 PolarHBondContact O-N 3.01Å; I341-L344 WeakPolarHBondContact O-CB 3.35Å; I341-L344 PolarHBondContact O-N 3.25Å; I341-S347 WeakPolarHBondContact O-CB 3.35Å; I341-S347 PolarHBondContact O-OG 3.46Å; I341-S347 VanDerWaalsContact O-OG 3.13Å
342	A	94.5	Very high	89	Confident	61 Å²	61	65.8 Å²	65.8	50%	0.504	37%	0.368	S	S	.	.	H	α-helix	trans	-65.4	-24.2	-178.8	0	0	0	0	0	114.3	L338 Q339 L344 S347	L338-A342 PolarHBondContact O-N 3.15Å; L338-A342 VanDerWaalsContact O-N 3.16Å; Q339-A342 CarbonylContact O-C 3.57Å; Q339-A342 PolarHBondContact O-N 2.93Å; A342-L344 VanDerWaalsContact C-N 3.28Å; A342-S347 WeakPolarHBondContact CA-OG 3.32Å; A342-S347 PolarHBondContact O-OG 3.02Å
343	D	91	Very high	88.5	Confident	107 Å²	107	64.9 Å²	64.9	57%	0.572	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-5.3	177.9	-65.2	-20.2	0	0	0	112.9	Q339 I341	Q339-D343 PolarHBondContact NE2-OD1 2.62Å; Q339-D343 VanDerWaalsContact O-CG 3.24Å; Q339-D343 PolarHBondContact O-N 2.99Å; I341-D343 VanDerWaalsContact C-N 3.25Å; I341-D343 PolarHBondContact O-N 3.01Å
344	L	83.8	Confident	87.8	Confident	37 Å²	37	69.5 Å²	69.5	19%	0.194	39%	0.394	C	S	.	.	S	Bend	trans	-71.8	137.8	176.6	-76.2	172.6	0	0	0	110.3	R280 P282 I341 A342 N346 S347	R280-L344 HydrophobicContact CG-CD2 4.37Å; P282-L344 HydrophobicContact CB-CD1 3.94Å; P282-L344 HydrophobicContact CB-CG 4.49Å; P282-L344 HydrophobicContact CG-CD1 3.63Å; I341-L344 WeakPolarHBondContact O-CB 3.35Å; I341-L344 PolarHBondContact O-N 3.25Å; A342-L344 VanDerWaalsContact C-N 3.28Å; L344-N346 PolarHBondContact O-N 3.12Å; L344-S347 PolarHBondContact O-N 3.02Å; L344-S347 VanDerWaalsContact O-N 3.17Å; L344-S347 PolarHBondContact O-OG 2.9Å
345	P	70	Confident	87	Confident	107 Å²	107	74.8 Å²	74.8	70%	0.695	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-8.6	-174.7	-25.5	32.9	0	0	0	116.5
346	N	60.5	Low	86.1	Confident	142 Å²	142	69.8 Å²	69.8	76%	0.759	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-136.7	18.9	-174.3	-60.8	-45.4	0	0	0	113.4	L344	L344-N346 PolarHBondContact O-N 3.12Å
347	S	50.9	Low	85	Confident	116 Å²	116	73.6 Å²	73.6	81%	0.811	43%	0.433	S	S	*	.			trans	-80.8	0	177.8	62.3	0	0	0	0	113.3	I341 A342 L344	I341-S347 WeakPolarHBondContact O-CB 3.35Å; I341-S347 PolarHBondContact O-OG 3.46Å; I341-S347 VanDerWaalsContact O-OG 3.13Å; A342-S347 WeakPolarHBondContact CA-OG 3.32Å; A342-S347 PolarHBondContact O-OG 3.02Å; L344-S347 PolarHBondContact O-N 3.02Å; L344-S347 VanDerWaalsContact O-N 3.17Å; L344-S347 PolarHBondContact O-OG 2.9Å

Retrieved 347 of 347 residues in 194 ms (Link to these results)

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